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_I 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 0.000 177.577 177.584 -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 -0.019 0.000 0.831 3 A N 3.400 126.215 122.820 -0.008 0.000 2.450 3 A HA 0.600 4.920 4.320 -0.000 0.000 0.255 3 A C 0.394 177.973 177.584 -0.008 0.000 1.096 3 A CA 0.042 52.078 52.037 -0.002 0.000 0.778 3 A CB 0.182 19.184 19.000 0.003 0.000 1.031 3 A HN 0.600 nan 8.150 nan 0.000 0.494 4 K N 1.432 121.831 120.400 -0.001 0.000 2.132 4 K HA 0.421 4.741 4.320 -0.000 0.000 0.241 4 K C -0.848 175.762 176.600 0.016 0.000 1.000 4 K CA -0.659 55.623 56.287 -0.009 0.000 0.911 4 K CB 0.977 33.475 32.500 -0.003 0.000 1.093 4 K HN 0.721 nan 8.250 nan 0.000 0.460 5 D N 0.634 121.038 120.400 0.006 0.000 2.278 5 D HA 0.372 5.012 4.640 -0.000 0.000 0.245 5 D C -1.320 175.123 176.300 0.238 0.000 1.052 5 D CA -0.632 53.423 54.000 0.093 0.000 0.834 5 D CB 1.272 42.083 40.800 0.019 0.000 1.194 5 D HN 0.059 nan 8.370 nan 0.000 0.481 6 V N 4.114 124.194 119.914 0.277 0.000 2.588 6 V HA 0.484 4.604 4.120 -0.000 0.000 0.304 6 V C 0.107 176.322 176.094 0.201 0.000 1.042 6 V CA -0.811 61.632 62.300 0.238 0.000 0.877 6 V CB 1.970 33.868 31.823 0.126 0.000 0.996 6 V HN 0.418 nan 8.190 nan 0.000 0.425 7 K N 3.037 123.412 120.400 -0.042 0.000 2.340 7 K HA 0.790 5.110 4.320 -0.000 0.000 0.244 7 K C -1.636 174.857 176.600 -0.179 0.000 0.973 7 K CA -0.574 55.648 56.287 -0.108 0.000 0.828 7 K CB 2.474 34.655 32.500 -0.532 0.000 1.226 7 K HN 0.422 nan 8.250 nan 0.000 0.437 8 F N -0.569 119.311 119.950 -0.116 0.000 2.631 8 F HA 0.406 4.933 4.527 0.000 0.000 0.328 8 F C 1.307 177.059 175.800 -0.081 0.000 1.067 8 F CA -0.094 57.860 58.000 -0.077 0.000 0.969 8 F CB 0.949 39.923 39.000 -0.043 0.000 1.332 8 F HN 0.806 nan 8.300 nan 0.000 0.490 9 G N 1.562 110.455 108.800 0.156 0.000 2.672 9 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.356 9 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.356 9 G C 1.112 176.018 174.900 0.011 0.000 1.312 9 G CA 1.368 46.506 45.100 0.064 0.000 0.980 9 G HN 0.688 nan 8.290 nan 0.000 0.540 10 N N 1.274 119.977 118.700 0.005 0.000 2.018 10 N HA -0.051 4.689 4.740 -0.000 0.000 0.196 10 N C 1.840 177.325 175.510 -0.040 0.000 1.043 10 N CA 1.927 54.967 53.050 -0.016 0.000 0.856 10 N CB -0.699 37.782 38.487 -0.011 0.000 1.042 10 N HN 0.625 nan 8.380 nan 0.000 0.423 11 D N 0.178 120.556 120.400 -0.037 0.000 2.191 11 D HA -0.244 4.396 4.640 -0.000 0.000 0.190 11 D C 1.746 177.947 176.300 -0.164 0.000 1.007 11 D CA 1.957 55.910 54.000 -0.077 0.000 0.865 11 D CB -0.473 40.296 40.800 -0.051 0.000 0.929 11 D HN 0.387 nan 8.370 nan 0.000 0.447 12 A N 0.462 123.181 122.820 -0.169 0.000 1.832 12 A HA -0.169 4.151 4.320 -0.000 0.000 0.214 12 A C 2.148 179.633 177.584 -0.166 0.000 1.200 12 A CA 1.626 53.510 52.037 -0.255 0.000 0.610 12 A CB -0.528 18.354 19.000 -0.198 0.000 0.842 12 A HN 0.102 nan 8.150 nan 0.000 0.444 13 R N -0.601 119.844 120.500 -0.091 0.000 2.103 13 R HA -0.128 4.212 4.340 -0.000 0.000 0.242 13 R C 2.057 178.328 176.300 -0.047 0.000 1.142 13 R CA 1.544 57.611 56.100 -0.055 0.000 0.960 13 R CB -0.806 29.475 30.300 -0.032 0.000 0.858 13 R HN 0.395 nan 8.270 nan 0.000 0.439 14 V N 1.698 121.581 119.914 -0.051 0.000 2.252 14 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 14 V C 2.366 178.441 176.094 -0.032 0.000 1.056 14 V CA 1.741 64.020 62.300 -0.035 0.000 1.022 14 V CB -0.430 31.372 31.823 -0.034 0.000 0.641 14 V HN 0.243 nan 8.190 nan 0.000 0.445 15 K N -0.451 119.914 120.400 -0.058 0.000 2.001 15 K HA -0.160 4.160 4.320 -0.000 0.000 0.214 15 K C 2.143 178.747 176.600 0.006 0.000 1.050 15 K CA 1.847 58.119 56.287 -0.026 0.000 0.934 15 K CB -0.712 31.745 32.500 -0.071 0.000 0.718 15 K HN 0.411 nan 8.250 nan 0.000 0.443 16 M N 0.291 119.884 119.600 -0.010 0.000 2.195 16 M HA -0.224 4.256 4.480 -0.000 0.000 0.260 16 M C 2.184 178.489 176.300 0.009 0.000 1.066 16 M CA 1.196 56.502 55.300 0.010 0.000 1.089 16 M CB -0.358 32.239 32.600 -0.004 0.000 1.377 16 M HN 0.064 nan 8.290 nan 0.000 0.411 17 L N 0.430 121.653 121.223 -0.001 0.000 2.005 17 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 17 L C 2.375 179.250 176.870 0.007 0.000 1.072 17 L CA 1.873 56.715 54.840 0.002 0.000 0.744 17 L CB -0.617 41.440 42.059 -0.003 0.000 0.895 17 L HN 0.136 nan 8.230 nan 0.000 0.433 18 R N -0.381 120.124 120.500 0.008 0.000 2.094 18 R HA -0.152 4.188 4.340 -0.000 0.000 0.239 18 R C 2.208 178.518 176.300 0.017 0.000 1.137 18 R CA 1.394 57.501 56.100 0.012 0.000 0.943 18 R CB -1.353 28.956 30.300 0.016 0.000 0.850 18 R HN 0.595 nan 8.270 nan 0.000 0.433 19 G N 0.978 109.793 108.800 0.024 0.000 2.586 19 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.218 19 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.218 19 G C 1.458 176.368 174.900 0.017 0.000 1.216 19 G CA 1.220 46.336 45.100 0.027 0.000 0.786 19 G HN 0.301 nan 8.290 nan 0.000 0.583 20 V N 1.334 121.257 119.914 0.015 0.000 2.231 20 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 20 V C 2.272 178.371 176.094 0.008 0.000 1.058 20 V CA 3.107 65.413 62.300 0.010 0.000 1.022 20 V CB -1.060 30.768 31.823 0.009 0.000 0.640 20 V HN 0.601 nan 8.190 nan 0.000 0.445 21 N N -0.455 118.250 118.700 0.008 0.000 2.064 21 N HA -0.250 4.490 4.740 -0.000 0.000 0.200 21 N C 1.807 177.321 175.510 0.007 0.000 1.028 21 N CA 2.301 55.355 53.050 0.007 0.000 0.880 21 N CB -0.445 38.047 38.487 0.007 0.000 1.062 21 N HN 0.471 nan 8.380 nan 0.000 0.454 22 V N 1.972 121.891 119.914 0.008 0.000 2.231 22 V HA -0.273 3.847 4.120 -0.000 0.000 0.250 22 V C 2.293 178.390 176.094 0.005 0.000 1.058 22 V CA 1.575 63.879 62.300 0.007 0.000 1.022 22 V CB -0.775 31.053 31.823 0.008 0.000 0.640 22 V HN 0.417 nan 8.190 nan 0.000 0.445 23 L N 0.197 121.423 121.223 0.005 0.000 1.963 23 L HA -0.278 4.062 4.340 -0.000 0.000 0.220 23 L C 2.572 179.443 176.870 0.002 0.000 1.076 23 L CA 3.072 57.914 54.840 0.003 0.000 0.772 23 L CB -1.310 40.750 42.059 0.002 0.000 0.892 23 L HN 0.395 nan 8.230 nan 0.000 0.435 24 A N -0.382 122.441 122.820 0.004 0.000 1.865 24 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 24 A C 1.883 179.469 177.584 0.004 0.000 1.191 24 A CA 1.964 54.003 52.037 0.004 0.000 0.623 24 A CB -0.831 18.172 19.000 0.006 0.000 0.826 24 A HN 0.590 nan 8.150 nan 0.000 0.444 25 D N -0.194 120.209 120.400 0.004 0.000 2.221 25 D HA -0.047 4.593 4.640 -0.000 0.000 0.204 25 D C 2.057 178.359 176.300 0.003 0.000 0.982 25 D CA 1.430 55.432 54.000 0.004 0.000 0.857 25 D CB -0.235 40.568 40.800 0.004 0.000 0.934 25 D HN 0.468 nan 8.370 nan 0.000 0.475 26 A N 0.133 122.954 122.820 0.002 0.000 1.975 26 A HA -0.001 4.319 4.320 -0.000 0.000 0.215 26 A C 2.218 179.803 177.584 0.000 0.000 1.170 26 A CA 0.557 52.595 52.037 0.001 0.000 0.656 26 A CB -0.188 18.812 19.000 0.001 0.000 0.821 26 A HN 0.178 nan 8.150 nan 0.000 0.449 27 V N 0.849 120.764 119.914 0.000 0.000 3.174 27 V HA -0.079 4.041 4.120 -0.000 0.000 0.254 27 V C 2.258 178.352 176.094 -0.001 0.000 1.120 27 V CA 1.852 64.152 62.300 -0.001 0.000 1.114 27 V CB -0.407 31.415 31.823 -0.002 0.000 0.756 27 V HN 0.769 nan 8.190 nan 0.000 0.467 28 K N 0.779 121.180 120.400 0.001 0.000 2.217 28 K HA -0.063 4.257 4.320 -0.000 0.000 0.202 28 K C 1.702 178.302 176.600 0.001 0.000 1.051 28 K CA 1.766 58.054 56.287 0.002 0.000 0.952 28 K CB -0.804 31.698 32.500 0.004 0.000 0.736 28 K HN 0.486 nan 8.250 nan 0.000 0.453 29 V N 0.307 120.221 119.914 0.001 0.000 3.186 29 V HA -0.100 4.020 4.120 -0.000 0.000 0.270 29 V C 1.655 177.748 176.094 -0.001 0.000 1.149 29 V CA 1.604 63.904 62.300 0.001 0.000 1.160 29 V CB -1.225 30.599 31.823 0.001 0.000 0.758 29 V HN 0.540 nan 8.190 nan 0.000 0.516 30 T N -3.601 110.951 114.554 -0.003 0.000 3.176 30 T HA 0.296 4.646 4.350 -0.000 0.000 0.263 30 T C 1.180 175.876 174.700 -0.007 0.000 1.021 30 T CA 0.308 62.405 62.100 -0.005 0.000 0.905 30 T CB 0.602 69.467 68.868 -0.005 0.000 1.057 30 T HN 0.325 nan 8.240 nan 0.000 0.558 31 L N 2.622 123.841 121.223 -0.006 0.000 1.993 31 L HA 0.425 4.765 4.340 -0.000 0.000 0.206 31 L C 1.683 178.544 176.870 -0.014 0.000 1.074 31 L CA 1.499 56.334 54.840 -0.008 0.000 0.746 31 L CB -1.295 40.761 42.059 -0.005 0.000 0.896 31 L HN 0.425 nan 8.230 nan 0.000 0.435 32 G N -0.727 108.064 108.800 -0.015 0.000 2.785 32 G HA2 0.053 4.013 3.960 -0.000 0.000 0.256 32 G HA3 0.053 4.013 3.960 -0.000 0.000 0.256 32 G C -1.734 173.146 174.900 -0.032 0.000 1.248 32 G CA 0.137 45.221 45.100 -0.027 0.000 0.914 32 G HN 0.408 nan 8.290 nan 0.000 0.580 33 P HA 0.034 nan 4.420 nan 0.000 0.229 33 P C 0.469 177.746 177.300 -0.039 0.000 1.160 33 P CA 0.985 64.058 63.100 -0.046 0.000 0.777 33 P CB 0.421 32.081 31.700 -0.066 0.000 0.814 34 K N 0.835 121.212 120.400 -0.037 0.000 3.045 34 K HA 0.366 4.686 4.320 -0.000 0.000 0.214 34 K C 0.647 177.236 176.600 -0.017 0.000 1.213 34 K CA -0.419 55.852 56.287 -0.027 0.000 1.111 34 K CB 0.716 33.200 32.500 -0.027 0.000 1.454 34 K HN 0.014 nan 8.250 nan 0.000 0.498 35 G N 0.896 109.687 108.800 -0.015 0.000 2.476 35 G HA2 0.244 4.204 3.960 -0.000 0.000 0.286 35 G HA3 0.244 4.204 3.960 -0.000 0.000 0.286 35 G C 0.026 174.922 174.900 -0.007 0.000 1.177 35 G CA -0.622 44.472 45.100 -0.010 0.000 0.870 35 G HN 0.191 nan 8.290 nan 0.000 0.528 36 R N -0.257 120.241 120.500 -0.004 0.000 2.583 36 R HA 0.245 4.585 4.340 -0.000 0.000 0.268 36 R C 0.480 176.778 176.300 -0.003 0.000 1.101 36 R CA -0.492 55.606 56.100 -0.003 0.000 1.180 36 R CB 0.303 30.602 30.300 -0.001 0.000 1.128 36 R HN 0.856 nan 8.270 nan 0.000 0.568 37 N N -1.143 117.555 118.700 -0.002 0.000 2.362 37 N HA 0.513 5.253 4.740 -0.000 0.000 0.299 37 N C -0.940 174.569 175.510 -0.001 0.000 1.170 37 N CA -0.845 52.204 53.050 -0.002 0.000 0.825 37 N CB 1.754 40.240 38.487 -0.002 0.000 1.299 37 N HN 0.041 nan 8.380 nan 0.000 0.502 38 V N 0.784 120.697 119.914 -0.001 0.000 2.881 38 V HA 0.397 4.517 4.120 -0.000 0.000 0.316 38 V C -0.183 175.910 176.094 -0.000 0.000 1.070 38 V CA -0.805 61.494 62.300 -0.001 0.000 0.976 38 V CB 2.003 33.826 31.823 -0.001 0.000 1.038 38 V HN 0.492 nan 8.190 nan 0.000 0.446 39 V N 4.577 124.491 119.914 -0.000 0.000 2.357 39 V HA 0.400 4.520 4.120 -0.000 0.000 0.284 39 V C -0.616 175.478 176.094 0.001 0.000 1.018 39 V CA -0.537 61.764 62.300 0.001 0.000 0.841 39 V CB 1.439 33.263 31.823 0.000 0.000 0.991 39 V HN 0.487 nan 8.190 nan 0.000 0.437 40 L N 3.755 124.980 121.223 0.002 0.000 2.272 40 L HA 0.423 4.763 4.340 -0.000 0.000 0.284 40 L C 0.123 176.997 176.870 0.005 0.000 1.045 40 L CA -0.130 54.711 54.840 0.003 0.000 0.842 40 L CB 0.735 42.797 42.059 0.004 0.000 1.224 40 L HN 0.667 nan 8.230 nan 0.000 0.430 41 D N 3.234 123.636 120.400 0.002 0.000 2.488 41 D HA 0.046 4.686 4.640 -0.000 0.000 0.238 41 D C 0.006 176.311 176.300 0.009 0.000 1.138 41 D CA 0.651 54.652 54.000 0.001 0.000 0.873 41 D CB 0.960 41.756 40.800 -0.008 0.000 1.183 41 D HN 0.318 nan 8.370 nan 0.000 0.458 42 K N 1.800 122.210 120.400 0.018 0.000 2.156 42 K HA 0.261 4.581 4.320 -0.000 0.000 0.254 42 K C 0.965 177.581 176.600 0.026 0.000 0.950 42 K CA -0.668 55.646 56.287 0.044 0.000 0.849 42 K CB 1.429 33.970 32.500 0.069 0.000 1.100 42 K HN 0.377 nan 8.250 nan 0.000 0.434 43 S N 1.789 117.511 115.700 0.037 0.000 2.343 43 S HA -0.070 4.400 4.470 -0.000 0.000 0.219 43 S C 0.287 174.747 174.600 -0.233 0.000 1.033 43 S CA 1.219 59.332 58.200 -0.144 0.000 1.014 43 S CB -0.153 62.922 63.200 -0.208 0.000 0.915 43 S HN 0.391 nan 8.310 nan 0.000 0.435 44 F N 1.553 121.498 119.950 -0.008 0.000 2.404 44 F HA 0.625 5.152 4.527 -0.000 0.000 0.354 44 F C 1.092 176.888 175.800 -0.006 0.000 1.122 44 F CA -0.123 57.873 58.000 -0.007 0.000 1.080 44 F CB 0.582 39.578 39.000 -0.007 0.000 1.131 44 F HN 0.432 nan 8.300 nan 0.000 0.471 45 G N 1.303 110.187 108.800 0.139 0.000 2.545 45 G HA2 0.195 4.155 3.960 -0.000 0.000 0.216 45 G HA3 0.195 4.155 3.960 -0.000 0.000 0.216 45 G C -0.642 174.287 174.900 0.048 0.000 1.314 45 G CA -0.686 44.465 45.100 0.086 0.000 0.906 45 G HN 1.076 nan 8.290 nan 0.000 0.563 46 A N 1.858 124.701 122.820 0.038 0.000 2.425 46 A HA 0.698 5.018 4.320 -0.000 0.000 0.249 46 A C -0.617 176.981 177.584 0.023 0.000 1.084 46 A CA 0.100 52.152 52.037 0.024 0.000 0.781 46 A CB -0.158 18.853 19.000 0.019 0.000 1.019 46 A HN 0.933 nan 8.150 nan 0.000 0.490 47 P HA 0.154 nan 4.420 nan 0.000 0.271 47 P C -0.380 176.928 177.300 0.013 0.000 1.244 47 P CA 0.109 63.217 63.100 0.012 0.000 0.793 47 P CB 0.401 32.105 31.700 0.006 0.000 0.984 48 T N 1.210 115.771 114.554 0.011 0.000 2.792 48 T HA 0.529 4.879 4.350 -0.000 0.000 0.280 48 T C 0.219 174.922 174.700 0.005 0.000 0.990 48 T CA -0.345 61.760 62.100 0.009 0.000 0.960 48 T CB 0.327 69.201 68.868 0.010 0.000 0.939 48 T HN 0.195 nan 8.240 nan 0.000 0.439 49 I N 2.546 123.119 120.570 0.004 0.000 2.412 49 I HA 0.643 4.813 4.170 -0.000 0.000 0.296 49 I C 0.469 176.587 176.117 0.001 0.000 0.987 49 I CA -0.496 60.806 61.300 0.002 0.000 1.180 49 I CB 1.915 39.916 38.000 0.001 0.000 1.340 49 I HN 0.525 nan 8.210 nan 0.000 0.455 50 T N 3.828 118.382 114.554 -0.000 0.000 2.769 50 T HA 0.376 4.726 4.350 -0.000 0.000 0.306 50 T C -0.427 174.271 174.700 -0.003 0.000 1.400 50 T CA -0.629 61.470 62.100 -0.001 0.000 1.007 50 T CB 1.689 70.556 68.868 -0.001 0.000 1.392 50 T HN 0.694 nan 8.240 nan 0.000 0.500 51 K N 0.878 121.275 120.400 -0.004 0.000 2.469 51 K HA 0.218 4.537 4.320 -0.000 0.000 0.204 51 K C -0.742 175.855 176.600 -0.006 0.000 1.047 51 K CA -0.268 56.016 56.287 -0.005 0.000 1.072 51 K CB 0.552 33.048 32.500 -0.006 0.000 0.863 51 K HN 0.431 nan 8.250 nan 0.000 0.530 52 D N 0.550 120.947 120.400 -0.005 0.000 2.441 52 D HA 0.104 4.744 4.640 -0.000 0.000 0.221 52 D C 1.274 177.571 176.300 -0.006 0.000 1.156 52 D CA -0.143 53.853 54.000 -0.006 0.000 0.896 52 D CB 0.987 41.784 40.800 -0.005 0.000 1.028 52 D HN 0.205 nan 8.370 nan 0.000 0.509 53 G N 2.445 111.241 108.800 -0.007 0.000 2.505 53 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 53 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 53 G C 1.600 176.495 174.900 -0.007 0.000 1.145 53 G CA 0.943 46.039 45.100 -0.006 0.000 0.761 53 G HN 0.486 nan 8.290 nan 0.000 0.571 54 V N 0.796 120.705 119.914 -0.009 0.000 2.324 54 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 54 V C 3.135 179.224 176.094 -0.008 0.000 1.060 54 V CA 2.393 64.687 62.300 -0.010 0.000 1.042 54 V CB -0.634 31.182 31.823 -0.012 0.000 0.650 54 V HN 0.405 nan 8.190 nan 0.000 0.450 55 S N -0.557 115.139 115.700 -0.006 0.000 2.348 55 S HA -0.170 4.300 4.470 -0.000 0.000 0.221 55 S C 1.989 176.586 174.600 -0.005 0.000 1.033 55 S CA 1.530 59.727 58.200 -0.005 0.000 1.010 55 S CB -0.274 62.924 63.200 -0.003 0.000 0.891 55 S HN 0.344 nan 8.310 nan 0.000 0.442 56 V N 2.364 122.276 119.914 -0.004 0.000 2.215 56 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 56 V C 2.682 178.773 176.094 -0.005 0.000 1.054 56 V CA 2.085 64.383 62.300 -0.004 0.000 1.012 56 V CB -1.411 30.410 31.823 -0.003 0.000 0.639 56 V HN 0.570 nan 8.190 nan 0.000 0.448 57 A N -0.136 122.680 122.820 -0.006 0.000 1.896 57 A HA -0.401 3.919 4.320 -0.000 0.000 0.220 57 A C 2.348 179.927 177.584 -0.008 0.000 1.206 57 A CA 2.965 54.998 52.037 -0.007 0.000 0.647 57 A CB -0.842 18.153 19.000 -0.009 0.000 0.828 57 A HN 0.579 nan 8.150 nan 0.000 0.455 58 R N -0.650 119.845 120.500 -0.009 0.000 2.134 58 R HA -0.259 4.081 4.340 -0.000 0.000 0.248 58 R C 1.947 178.242 176.300 -0.008 0.000 1.143 58 R CA 2.221 58.315 56.100 -0.009 0.000 0.957 58 R CB -0.308 29.986 30.300 -0.009 0.000 0.867 58 R HN 0.497 nan 8.270 nan 0.000 0.441 59 E N 0.037 120.233 120.200 -0.006 0.000 2.274 59 E HA 0.018 4.368 4.350 -0.000 0.000 0.194 59 E C -0.023 176.574 176.600 -0.005 0.000 0.996 59 E CA 0.249 56.647 56.400 -0.005 0.000 0.840 59 E CB 0.096 29.795 29.700 -0.002 0.000 0.772 59 E HN 0.250 nan 8.360 nan 0.000 0.491 60 I N 2.098 122.665 120.570 -0.005 0.000 2.587 60 I HA 0.055 4.225 4.170 -0.000 0.000 0.284 60 I C 0.245 176.359 176.117 -0.004 0.000 1.134 60 I CA 0.659 61.956 61.300 -0.004 0.000 1.410 60 I CB -0.150 37.848 38.000 -0.003 0.000 1.392 60 I HN 0.093 nan 8.210 nan 0.000 0.545 61 E N 7.624 127.822 120.200 -0.004 0.000 2.349 61 E HA 0.382 4.732 4.350 -0.000 0.000 0.290 61 E C -1.738 174.860 176.600 -0.003 0.000 0.901 61 E CA -0.563 55.834 56.400 -0.005 0.000 0.800 61 E CB 1.394 31.090 29.700 -0.008 0.000 1.303 61 E HN 0.467 nan 8.360 nan 0.000 0.397 62 L N 3.413 124.636 121.223 0.001 0.000 2.399 62 L HA 0.375 4.715 4.340 -0.000 0.000 0.265 62 L C 1.617 178.487 176.870 -0.001 0.000 1.089 62 L CA -0.429 54.413 54.840 0.004 0.000 0.802 62 L CB 1.085 43.153 42.059 0.014 0.000 1.180 62 L HN 0.738 nan 8.230 nan 0.000 0.454 63 E N 0.611 120.812 120.200 0.001 0.000 2.046 63 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 63 E C 0.512 177.110 176.600 -0.003 0.000 0.982 63 E CA 0.396 56.793 56.400 -0.004 0.000 0.800 63 E CB 0.263 29.962 29.700 -0.002 0.000 0.756 63 E HN 0.667 nan 8.360 nan 0.000 0.449 64 D N 1.639 122.049 120.400 0.017 0.000 2.363 64 D HA -0.025 4.615 4.640 -0.000 0.000 0.263 64 D C -0.511 175.806 176.300 0.029 0.000 1.258 64 D CA 0.230 54.252 54.000 0.037 0.000 0.907 64 D CB 0.510 41.353 40.800 0.072 0.000 1.107 64 D HN 0.078 nan 8.370 nan 0.000 0.495 65 K N 2.635 123.007 120.400 -0.046 0.000 2.188 65 K HA 0.067 4.387 4.320 -0.000 0.000 0.246 65 K C 0.700 177.313 176.600 0.021 0.000 1.026 65 K CA -0.475 55.742 56.287 -0.117 0.000 0.871 65 K CB 0.583 32.896 32.500 -0.312 0.000 1.042 65 K HN 0.357 nan 8.250 nan 0.000 0.509 66 F N -1.170 118.772 119.950 -0.013 0.000 2.529 66 F HA -0.379 4.148 4.527 -0.000 0.000 0.744 66 F C 1.816 177.610 175.800 -0.011 0.000 0.485 66 F CA 1.903 59.895 58.000 -0.014 0.000 0.764 66 F CB -1.381 37.613 39.000 -0.010 0.000 1.616 66 F HN 0.727 nan 8.300 nan 0.000 0.276 67 E N 0.112 120.451 120.200 0.232 0.000 2.058 67 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 67 E C 1.608 178.254 176.600 0.077 0.000 0.997 67 E CA 1.652 58.119 56.400 0.112 0.000 0.801 67 E CB -0.414 29.337 29.700 0.085 0.000 0.746 67 E HN 0.554 nan 8.360 nan 0.000 0.450 68 N N 0.447 119.186 118.700 0.065 0.000 2.166 68 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 68 N C 1.801 177.329 175.510 0.031 0.000 1.019 68 N CA 1.374 54.443 53.050 0.031 0.000 0.856 68 N CB 0.024 38.515 38.487 0.007 0.000 0.993 68 N HN 0.091 nan 8.380 nan 0.000 0.426 69 M N -0.551 119.080 119.600 0.051 0.000 2.065 69 M HA -0.054 4.426 4.480 -0.000 0.000 0.259 69 M C 2.355 178.678 176.300 0.038 0.000 1.069 69 M CA 1.732 57.059 55.300 0.045 0.000 1.110 69 M CB -1.094 31.553 32.600 0.079 0.000 1.328 69 M HN 0.310 nan 8.290 nan 0.000 0.405 70 G N 0.469 109.299 108.800 0.051 0.000 2.556 70 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.220 70 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.220 70 G C 1.628 176.538 174.900 0.018 0.000 1.156 70 G CA 1.732 46.851 45.100 0.031 0.000 0.766 70 G HN 0.573 nan 8.290 nan 0.000 0.583 71 A N -0.140 122.691 122.820 0.018 0.000 1.835 71 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 71 A C 2.412 179.996 177.584 0.000 0.000 1.199 71 A CA 2.216 54.258 52.037 0.008 0.000 0.615 71 A CB -0.585 18.421 19.000 0.009 0.000 0.838 71 A HN 0.332 nan 8.150 nan 0.000 0.444 72 Q N -0.509 119.291 119.800 0.000 0.000 2.197 72 Q HA -0.205 4.135 4.340 -0.000 0.000 0.207 72 Q C 2.137 178.129 176.000 -0.014 0.000 0.984 72 Q CA 1.810 57.608 55.803 -0.008 0.000 0.869 72 Q CB -0.634 28.100 28.738 -0.007 0.000 0.906 72 Q HN 0.801 nan 8.270 nan 0.000 0.426 73 M N -0.479 119.116 119.600 -0.008 0.000 2.117 73 M HA -0.158 4.322 4.480 -0.000 0.000 0.262 73 M C 2.247 178.533 176.300 -0.023 0.000 1.065 73 M CA 1.189 56.481 55.300 -0.013 0.000 1.114 73 M CB -0.311 32.288 32.600 -0.002 0.000 1.361 73 M HN -0.013 nan 8.290 nan 0.000 0.408 74 V N 0.419 120.323 119.914 -0.016 0.000 2.255 74 V HA -0.233 3.887 4.120 -0.000 0.000 0.243 74 V C 2.153 178.225 176.094 -0.036 0.000 1.038 74 V CA 1.733 64.021 62.300 -0.020 0.000 1.008 74 V CB -0.750 31.069 31.823 -0.007 0.000 0.645 74 V HN 0.408 nan 8.190 nan 0.000 0.449 75 K N 0.048 120.431 120.400 -0.029 0.000 2.097 75 K HA -0.343 3.977 4.320 -0.000 0.000 0.214 75 K C 2.162 178.728 176.600 -0.057 0.000 1.052 75 K CA 2.395 58.661 56.287 -0.035 0.000 0.932 75 K CB -0.349 32.136 32.500 -0.025 0.000 0.716 75 K HN 0.595 nan 8.250 nan 0.000 0.455 76 E N 0.718 120.882 120.200 -0.061 0.000 2.021 76 E HA -0.229 4.121 4.350 -0.000 0.000 0.200 76 E C 2.045 178.555 176.600 -0.149 0.000 1.015 76 E CA 1.738 58.087 56.400 -0.085 0.000 0.824 76 E CB -0.107 29.549 29.700 -0.072 0.000 0.762 76 E HN 0.167 nan 8.360 nan 0.000 0.454 77 V N 0.567 120.375 119.914 -0.176 0.000 2.515 77 V HA -0.153 3.967 4.120 -0.000 0.000 0.250 77 V C 2.165 178.058 176.094 -0.335 0.000 1.058 77 V CA 1.981 64.078 62.300 -0.337 0.000 1.064 77 V CB -0.344 31.327 31.823 -0.254 0.000 0.675 77 V HN 0.471 nan 8.190 nan 0.000 0.461 78 A N -0.971 121.759 122.820 -0.152 0.000 2.015 78 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 78 A C 2.509 180.043 177.584 -0.084 0.000 1.163 78 A CA 2.039 54.030 52.037 -0.078 0.000 0.646 78 A CB -0.714 18.266 19.000 -0.034 0.000 0.806 78 A HN 0.607 nan 8.150 nan 0.000 0.448 79 S N -0.254 115.381 115.700 -0.109 0.000 2.345 79 S HA -0.150 4.320 4.470 -0.000 0.000 0.219 79 S C 2.010 176.548 174.600 -0.104 0.000 1.031 79 S CA 1.483 59.633 58.200 -0.082 0.000 0.984 79 S CB -0.335 62.824 63.200 -0.069 0.000 0.874 79 S HN 0.579 nan 8.310 nan 0.000 0.451 80 K N 1.184 121.462 120.400 -0.203 0.000 2.144 80 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 80 K C 2.330 178.878 176.600 -0.087 0.000 1.047 80 K CA 1.327 57.472 56.287 -0.235 0.000 0.927 80 K CB -0.563 31.614 32.500 -0.538 0.000 0.716 80 K HN 0.479 nan 8.250 nan 0.000 0.454 81 A N 2.443 125.208 122.820 -0.091 0.000 1.849 81 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 81 A C 2.090 179.757 177.584 0.139 0.000 1.202 81 A CA 2.009 54.225 52.037 0.298 0.000 0.629 81 A CB -0.942 18.223 19.000 0.275 0.000 0.834 81 A HN 0.391 nan 8.150 nan 0.000 0.447 82 N N 0.230 118.955 118.700 0.042 0.000 2.094 82 N HA -0.228 4.512 4.740 -0.000 0.000 0.191 82 N C 1.200 176.705 175.510 -0.007 0.000 1.023 82 N CA 2.106 55.152 53.050 -0.007 0.000 0.857 82 N CB -0.556 37.911 38.487 -0.033 0.000 1.013 82 N HN 0.404 nan 8.380 nan 0.000 0.426 83 D N 0.319 120.725 120.400 0.010 0.000 2.149 83 D HA -0.128 4.512 4.640 -0.000 0.000 0.194 83 D C 0.714 177.046 176.300 0.054 0.000 1.001 83 D CA 1.553 55.568 54.000 0.025 0.000 0.849 83 D CB -0.337 40.474 40.800 0.018 0.000 0.939 83 D HN 0.453 nan 8.370 nan 0.000 0.449 84 A N -1.397 121.478 122.820 0.092 0.000 2.842 84 A HA 0.671 4.991 4.320 -0.000 0.000 0.298 84 A C 0.889 178.515 177.584 0.070 0.000 1.293 84 A CA 0.568 52.663 52.037 0.096 0.000 0.959 84 A CB 0.290 19.372 19.000 0.138 0.000 1.119 84 A HN 0.145 nan 8.150 nan 0.000 0.564 85 A N -2.534 120.309 122.820 0.038 0.000 2.452 85 A HA 0.441 4.761 4.320 -0.000 0.000 0.147 85 A C 1.505 179.057 177.584 -0.052 0.000 1.842 85 A CA 0.860 52.908 52.037 0.017 0.000 1.336 85 A CB -0.704 18.309 19.000 0.022 0.000 1.524 85 A HN 2.010 nan 8.150 nan 0.000 0.369 86 G N -0.869 107.838 108.800 -0.155 0.000 2.175 86 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.244 86 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.244 86 G C -0.167 174.575 174.900 -0.263 0.000 0.982 86 G CA 0.921 45.763 45.100 -0.429 0.000 0.641 86 G HN 1.140 nan 8.290 nan 0.000 0.527 87 D N -3.041 117.288 120.400 -0.120 0.000 2.827 87 D HA 0.487 5.127 4.640 -0.000 0.000 0.336 87 D C 1.067 177.352 176.300 -0.025 0.000 1.374 87 D CA 1.129 55.087 54.000 -0.069 0.000 0.794 87 D CB 0.500 41.266 40.800 -0.056 0.000 1.364 87 D HN 1.329 nan 8.370 nan 0.000 0.464 88 G N -0.490 108.303 108.800 -0.013 0.000 2.279 88 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.223 88 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.223 88 G C 1.178 176.085 174.900 0.012 0.000 1.015 88 G CA 1.239 46.343 45.100 0.008 0.000 0.621 88 G HN 0.614 nan 8.290 nan 0.000 0.506 89 T N 1.198 115.753 114.554 0.003 0.000 2.656 89 T HA -0.310 4.040 4.350 -0.000 0.000 0.262 89 T C 2.318 177.018 174.700 -0.000 0.000 1.070 89 T CA 3.049 65.148 62.100 -0.003 0.000 1.160 89 T CB -1.011 67.847 68.868 -0.016 0.000 0.855 89 T HN 0.644 nan 8.240 nan 0.000 0.456 90 T N 1.565 116.117 114.554 -0.002 0.000 2.668 90 T HA -0.093 4.257 4.350 -0.000 0.000 0.258 90 T C 2.350 177.053 174.700 0.005 0.000 1.051 90 T CA 1.699 63.798 62.100 -0.001 0.000 1.155 90 T CB -1.002 67.864 68.868 -0.004 0.000 0.864 90 T HN 0.439 nan 8.240 nan 0.000 0.413 91 T N 2.446 117.004 114.554 0.006 0.000 2.624 91 T HA -0.249 4.101 4.350 -0.000 0.000 0.266 91 T C 2.312 177.024 174.700 0.020 0.000 1.050 91 T CA 1.681 63.787 62.100 0.011 0.000 1.163 91 T CB -0.854 68.021 68.868 0.010 0.000 0.861 91 T HN 0.461 nan 8.240 nan 0.000 0.443 92 A N 1.155 123.993 122.820 0.030 0.000 1.903 92 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 92 A C 2.589 180.193 177.584 0.032 0.000 1.191 92 A CA 2.587 54.652 52.037 0.046 0.000 0.638 92 A CB -1.487 17.555 19.000 0.070 0.000 0.823 92 A HN 0.534 nan 8.150 nan 0.000 0.451 93 T N -0.116 114.449 114.554 0.019 0.000 2.652 93 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 93 T C 1.905 176.613 174.700 0.013 0.000 1.039 93 T CA 1.827 63.933 62.100 0.012 0.000 1.153 93 T CB -0.715 68.155 68.868 0.004 0.000 0.863 93 T HN 0.210 nan 8.240 nan 0.000 0.428 94 V N 1.685 121.606 119.914 0.012 0.000 2.250 94 V HA -0.220 3.900 4.120 -0.000 0.000 0.250 94 V C 2.518 178.621 176.094 0.014 0.000 1.060 94 V CA 1.808 64.114 62.300 0.011 0.000 1.030 94 V CB -0.902 30.926 31.823 0.010 0.000 0.643 94 V HN 0.415 nan 8.190 nan 0.000 0.445 95 L N -0.049 121.185 121.223 0.018 0.000 2.017 95 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 95 L C 2.826 179.708 176.870 0.021 0.000 1.073 95 L CA 1.543 56.395 54.840 0.020 0.000 0.745 95 L CB -0.983 41.090 42.059 0.024 0.000 0.894 95 L HN 0.354 nan 8.230 nan 0.000 0.432 96 A N -0.296 122.539 122.820 0.024 0.000 1.909 96 A HA -0.389 3.931 4.320 -0.000 0.000 0.221 96 A C 2.270 179.864 177.584 0.017 0.000 1.223 96 A CA 2.572 54.623 52.037 0.024 0.000 0.658 96 A CB -0.887 18.126 19.000 0.022 0.000 0.831 96 A HN 0.559 nan 8.150 nan 0.000 0.462 97 Q N -0.907 118.902 119.800 0.014 0.000 1.975 97 Q HA -0.151 4.189 4.340 -0.000 0.000 0.205 97 Q C 2.311 178.317 176.000 0.011 0.000 0.990 97 Q CA 1.975 57.784 55.803 0.011 0.000 0.845 97 Q CB -0.463 28.281 28.738 0.009 0.000 0.913 97 Q HN 0.625 nan 8.270 nan 0.000 0.420 98 A N 1.150 123.977 122.820 0.011 0.000 1.893 98 A HA -0.305 4.015 4.320 -0.000 0.000 0.222 98 A C 2.015 179.605 177.584 0.011 0.000 1.309 98 A CA 2.328 54.372 52.037 0.011 0.000 0.681 98 A CB -1.295 17.713 19.000 0.012 0.000 0.842 98 A HN 0.553 nan 8.150 nan 0.000 0.468 99 I N -0.546 120.032 120.570 0.013 0.000 2.058 99 I HA -0.291 3.879 4.170 -0.000 0.000 0.235 99 I C 2.420 178.544 176.117 0.011 0.000 1.053 99 I CA 1.841 63.148 61.300 0.012 0.000 1.313 99 I CB -0.617 37.393 38.000 0.016 0.000 1.039 99 I HN 0.380 nan 8.210 nan 0.000 0.396 100 I N 0.633 121.210 120.570 0.011 0.000 2.121 100 I HA -0.406 3.764 4.170 -0.000 0.000 0.243 100 I C 2.610 178.731 176.117 0.006 0.000 1.047 100 I CA 2.137 63.443 61.300 0.009 0.000 1.308 100 I CB -1.070 36.935 38.000 0.009 0.000 1.015 100 I HN 0.391 nan 8.210 nan 0.000 0.410 101 T N 0.362 114.920 114.554 0.007 0.000 2.544 101 T HA -0.219 4.131 4.350 -0.000 0.000 0.264 101 T C 1.808 176.510 174.700 0.005 0.000 1.096 101 T CA 1.680 63.783 62.100 0.005 0.000 1.181 101 T CB -0.351 68.520 68.868 0.006 0.000 0.864 101 T HN 0.336 nan 8.240 nan 0.000 0.415 102 E N 0.846 121.049 120.200 0.006 0.000 2.023 102 E HA -0.095 4.255 4.350 -0.000 0.000 0.196 102 E C 2.649 179.252 176.600 0.005 0.000 1.003 102 E CA 1.489 57.892 56.400 0.005 0.000 0.809 102 E CB -1.127 28.577 29.700 0.006 0.000 0.755 102 E HN 0.591 nan 8.360 nan 0.000 0.449 103 G N 0.936 109.739 108.800 0.006 0.000 2.485 103 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.221 103 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.221 103 G C 1.520 176.422 174.900 0.004 0.000 1.115 103 G CA 0.534 45.637 45.100 0.005 0.000 0.751 103 G HN 0.157 nan 8.290 nan 0.000 0.567 104 L N -0.114 121.111 121.223 0.003 0.000 2.341 104 L HA 0.247 4.587 4.340 -0.000 0.000 0.214 104 L C 2.585 179.455 176.870 0.000 0.000 1.115 104 L CA 1.142 55.982 54.840 0.001 0.000 0.820 104 L CB -0.161 41.898 42.059 -0.000 0.000 0.944 104 L HN 0.164 nan 8.230 nan 0.000 0.452 105 K N -1.096 119.305 120.400 0.001 0.000 2.021 105 K HA 0.011 4.331 4.320 -0.000 0.000 0.205 105 K C 2.141 178.742 176.600 0.001 0.000 1.047 105 K CA 1.051 57.338 56.287 0.001 0.000 0.943 105 K CB -0.323 32.178 32.500 0.001 0.000 0.725 105 K HN 0.267 nan 8.250 nan 0.000 0.439 106 A N 1.859 124.681 122.820 0.002 0.000 1.869 106 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 106 A C 2.484 180.070 177.584 0.002 0.000 1.203 106 A CA 2.637 54.675 52.037 0.002 0.000 0.638 106 A CB -1.422 17.580 19.000 0.003 0.000 0.831 106 A HN 0.206 nan 8.150 nan 0.000 0.450 107 V N -2.050 117.865 119.914 0.002 0.000 2.278 107 V HA -0.236 3.884 4.120 -0.000 0.000 0.251 107 V C 2.549 178.644 176.094 0.002 0.000 1.062 107 V CA 2.419 64.721 62.300 0.002 0.000 1.038 107 V CB -1.763 30.061 31.823 0.002 0.000 0.646 107 V HN 0.720 nan 8.190 nan 0.000 0.447 108 A N 0.119 122.939 122.820 0.000 0.000 2.168 108 A HA 0.406 4.726 4.320 -0.000 0.000 0.215 108 A C 2.260 179.843 177.584 -0.001 0.000 1.152 108 A CA 1.506 53.542 52.037 -0.001 0.000 0.716 108 A CB -0.705 18.294 19.000 -0.002 0.000 0.794 108 A HN 1.044 nan 8.150 nan 0.000 0.465 109 A N -2.162 120.658 122.820 0.000 0.000 2.178 109 A HA 0.440 4.760 4.320 -0.000 0.000 0.211 109 A C 1.720 179.304 177.584 0.000 0.000 1.157 109 A CA 1.358 53.395 52.037 0.000 0.000 0.780 109 A CB -0.307 18.693 19.000 0.001 0.000 0.828 109 A HN 1.593 nan 8.150 nan 0.000 0.476 110 G N -1.948 106.852 108.800 0.001 0.000 2.336 110 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.194 110 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.194 110 G C 0.252 175.153 174.900 0.002 0.000 0.999 110 G CA -0.033 45.067 45.100 0.001 0.000 0.669 110 G HN 0.273 nan 8.290 nan 0.000 0.482 111 M N 1.604 121.205 119.600 0.002 0.000 2.248 111 M HA 0.236 4.716 4.480 -0.000 0.000 0.337 111 M C 0.733 177.035 176.300 0.003 0.000 1.121 111 M CA -0.276 55.025 55.300 0.003 0.000 1.155 111 M CB 0.347 32.949 32.600 0.003 0.000 1.514 111 M HN 0.270 nan 8.290 nan 0.000 0.452 112 N N 2.956 121.658 118.700 0.004 0.000 2.475 112 N HA 0.076 4.816 4.740 -0.000 0.000 0.267 112 N C -2.227 173.286 175.510 0.005 0.000 1.169 112 N CA -1.262 51.790 53.050 0.005 0.000 0.947 112 N CB 1.132 39.621 38.487 0.004 0.000 1.061 112 N HN 0.274 nan 8.380 nan 0.000 0.466 113 P HA -0.046 nan 4.420 nan 0.000 0.216 113 P C 1.517 178.821 177.300 0.006 0.000 1.153 113 P CA 0.900 64.004 63.100 0.006 0.000 0.844 113 P CB 0.178 31.882 31.700 0.007 0.000 0.787 114 M N -0.144 119.460 119.600 0.007 0.000 2.106 114 M HA -0.190 4.290 4.480 -0.000 0.000 0.259 114 M C 1.374 177.678 176.300 0.006 0.000 1.068 114 M CA 1.827 57.131 55.300 0.007 0.000 1.100 114 M CB -1.265 31.339 32.600 0.007 0.000 1.351 114 M HN -0.131 nan 8.290 nan 0.000 0.404 115 D N -0.722 119.681 120.400 0.006 0.000 2.103 115 D HA -0.086 4.554 4.640 -0.000 0.000 0.199 115 D C 2.143 178.446 176.300 0.005 0.000 0.978 115 D CA 1.180 55.183 54.000 0.005 0.000 0.829 115 D CB -0.346 40.456 40.800 0.004 0.000 0.981 115 D HN 0.349 nan 8.370 nan 0.000 0.464 116 L N 1.065 122.291 121.223 0.005 0.000 2.021 116 L HA -0.252 4.088 4.340 -0.000 0.000 0.215 116 L C 2.625 179.499 176.870 0.007 0.000 1.074 116 L CA 1.474 56.317 54.840 0.006 0.000 0.760 116 L CB -0.542 41.521 42.059 0.006 0.000 0.889 116 L HN 0.032 nan 8.230 nan 0.000 0.433 117 K N 0.419 120.823 120.400 0.007 0.000 1.991 117 K HA -0.269 4.051 4.320 -0.000 0.000 0.212 117 K C 2.326 178.931 176.600 0.007 0.000 1.049 117 K CA 1.776 58.067 56.287 0.008 0.000 0.932 117 K CB -0.146 32.359 32.500 0.009 0.000 0.717 117 K HN 0.082 nan 8.250 nan 0.000 0.441 118 R N -0.160 120.344 120.500 0.006 0.000 2.115 118 R HA -0.174 4.166 4.340 -0.000 0.000 0.239 118 R C 2.381 178.684 176.300 0.005 0.000 1.133 118 R CA 2.152 58.255 56.100 0.005 0.000 0.935 118 R CB -0.981 29.322 30.300 0.005 0.000 0.853 118 R HN 0.482 nan 8.270 nan 0.000 0.433 119 G N 0.922 109.725 108.800 0.005 0.000 2.513 119 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.219 119 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.219 119 G C 1.469 176.372 174.900 0.005 0.000 1.160 119 G CA 1.419 46.522 45.100 0.005 0.000 0.767 119 G HN 0.341 nan 8.290 nan 0.000 0.571 120 I N 0.879 121.452 120.570 0.006 0.000 2.072 120 I HA -0.158 4.012 4.170 -0.000 0.000 0.235 120 I C 2.468 178.588 176.117 0.005 0.000 1.058 120 I CA 1.498 62.802 61.300 0.007 0.000 1.320 120 I CB -0.434 37.571 38.000 0.009 0.000 1.047 120 I HN 0.093 nan 8.210 nan 0.000 0.397 121 D N 1.032 121.435 120.400 0.006 0.000 2.200 121 D HA -0.294 4.346 4.640 -0.000 0.000 0.192 121 D C 1.967 178.267 176.300 0.001 0.000 1.008 121 D CA 1.658 55.660 54.000 0.003 0.000 0.872 121 D CB -0.372 40.431 40.800 0.004 0.000 0.923 121 D HN 0.373 nan 8.370 nan 0.000 0.447 122 K N 0.796 121.197 120.400 0.002 0.000 1.991 122 K HA -0.167 4.153 4.320 -0.000 0.000 0.212 122 K C 2.215 178.816 176.600 0.001 0.000 1.049 122 K CA 1.551 57.839 56.287 0.001 0.000 0.932 122 K CB -0.186 32.316 32.500 0.002 0.000 0.717 122 K HN 0.040 nan 8.250 nan 0.000 0.441 123 A N 0.781 123.603 122.820 0.003 0.000 1.884 123 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 123 A C 2.290 179.875 177.584 0.002 0.000 1.197 123 A CA 2.291 54.330 52.037 0.003 0.000 0.637 123 A CB -1.049 17.954 19.000 0.005 0.000 0.827 123 A HN 0.224 nan 8.150 nan 0.000 0.450 124 V N -0.450 119.464 119.914 0.000 0.000 2.220 124 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 124 V C 2.665 178.755 176.094 -0.007 0.000 1.049 124 V CA 2.647 64.945 62.300 -0.004 0.000 1.003 124 V CB -1.648 30.172 31.823 -0.006 0.000 0.634 124 V HN 0.640 nan 8.190 nan 0.000 0.444 125 T N 0.551 115.100 114.554 -0.008 0.000 2.635 125 T HA -0.374 3.976 4.350 -0.000 0.000 0.265 125 T C 1.962 176.658 174.700 -0.007 0.000 1.058 125 T CA 2.451 64.546 62.100 -0.009 0.000 1.162 125 T CB -0.681 68.183 68.868 -0.006 0.000 0.859 125 T HN 0.638 nan 8.240 nan 0.000 0.449 126 A N 1.368 124.186 122.820 -0.003 0.000 1.858 126 A HA 0.162 4.482 4.320 -0.000 0.000 0.216 126 A C 2.719 180.303 177.584 -0.000 0.000 1.190 126 A CA 2.137 54.174 52.037 -0.001 0.000 0.617 126 A CB -1.312 17.689 19.000 0.001 0.000 0.827 126 A HN 0.572 nan 8.150 nan 0.000 0.443 127 A N -0.503 122.317 122.820 0.000 0.000 1.940 127 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 127 A C 2.209 179.792 177.584 -0.002 0.000 1.176 127 A CA 1.927 53.965 52.037 0.001 0.000 0.631 127 A CB -1.048 17.953 19.000 0.002 0.000 0.814 127 A HN 0.473 nan 8.150 nan 0.000 0.446 128 V N -0.215 119.694 119.914 -0.008 0.000 2.332 128 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 128 V C 2.541 178.630 176.094 -0.008 0.000 1.055 128 V CA 2.426 64.719 62.300 -0.012 0.000 1.038 128 V CB -0.852 30.959 31.823 -0.020 0.000 0.651 128 V HN 0.546 nan 8.190 nan 0.000 0.450 129 E N 0.167 120.364 120.200 -0.005 0.000 2.017 129 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 129 E C 2.319 178.920 176.600 0.001 0.000 0.997 129 E CA 1.208 57.607 56.400 -0.002 0.000 0.804 129 E CB -0.392 29.307 29.700 -0.001 0.000 0.757 129 E HN 0.521 nan 8.360 nan 0.000 0.448 130 E N 0.078 120.280 120.200 0.003 0.000 2.136 130 E HA -0.249 4.101 4.350 -0.000 0.000 0.208 130 E C 2.143 178.747 176.600 0.007 0.000 1.035 130 E CA 0.958 57.362 56.400 0.007 0.000 0.838 130 E CB -0.466 29.239 29.700 0.008 0.000 0.748 130 E HN 0.170 nan 8.360 nan 0.000 0.459 131 L N 1.342 122.567 121.223 0.004 0.000 2.042 131 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 131 L C 2.232 179.105 176.870 0.004 0.000 1.076 131 L CA 1.776 56.619 54.840 0.004 0.000 0.749 131 L CB -0.338 41.720 42.059 -0.001 0.000 0.893 131 L HN 0.062 nan 8.230 nan 0.000 0.432 132 K N -1.158 119.243 120.400 0.002 0.000 2.097 132 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 132 K C 2.070 178.674 176.600 0.006 0.000 1.049 132 K CA 1.296 57.584 56.287 0.003 0.000 0.933 132 K CB -0.380 32.120 32.500 0.001 0.000 0.717 132 K HN 0.389 nan 8.250 nan 0.000 0.442 133 A N 1.814 124.639 122.820 0.007 0.000 1.835 133 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 133 A C 2.155 179.746 177.584 0.013 0.000 1.199 133 A CA 1.214 53.257 52.037 0.010 0.000 0.615 133 A CB -0.804 18.202 19.000 0.010 0.000 0.838 133 A HN 0.232 nan 8.150 nan 0.000 0.444 134 L N 0.694 121.926 121.223 0.015 0.000 2.081 134 L HA -0.076 4.264 4.340 -0.000 0.000 0.212 134 L C 1.589 178.470 176.870 0.018 0.000 1.080 134 L CA 1.730 56.581 54.840 0.019 0.000 0.754 134 L CB -0.963 41.109 42.059 0.021 0.000 0.893 134 L HN 0.357 nan 8.230 nan 0.000 0.433 135 S N -1.143 114.565 115.700 0.014 0.000 2.554 135 S HA 0.092 4.562 4.470 -0.000 0.000 0.290 135 S C -0.141 174.467 174.600 0.013 0.000 1.309 135 S CA -0.332 57.876 58.200 0.012 0.000 1.047 135 S CB 0.137 63.343 63.200 0.009 0.000 0.828 135 S HN 0.118 nan 8.310 nan 0.000 0.509 136 V N 8.002 127.924 119.914 0.014 0.000 2.384 136 V HA 0.379 4.499 4.120 -0.000 0.000 0.287 136 V C -1.981 174.120 176.094 0.012 0.000 1.020 136 V CA -1.771 60.538 62.300 0.014 0.000 0.850 136 V CB 1.251 33.084 31.823 0.016 0.000 0.987 136 V HN 0.798 nan 8.190 nan 0.000 0.436 137 P HA 0.025 nan 4.420 nan 0.000 0.271 137 P C -0.560 176.746 177.300 0.010 0.000 1.228 137 P CA -0.018 63.088 63.100 0.010 0.000 0.797 137 P CB 0.353 32.058 31.700 0.009 0.000 0.914 138 C N 1.443 120.749 119.300 0.009 0.000 3.220 138 C HA 0.481 4.941 4.460 -0.000 0.000 0.352 138 C C 0.909 175.904 174.990 0.008 0.000 1.031 138 C CA 0.292 59.316 59.018 0.009 0.000 1.338 138 C CB -0.826 26.920 27.740 0.010 0.000 1.763 138 C HN 0.636 nan 8.230 nan 0.000 0.548 139 S N 2.603 118.307 115.700 0.007 0.000 3.526 139 S HA 0.210 4.680 4.470 -0.000 0.000 0.222 139 S C 0.202 174.805 174.600 0.005 0.000 1.001 139 S CA 0.705 58.908 58.200 0.006 0.000 0.831 139 S CB -0.212 62.992 63.200 0.006 0.000 0.941 139 S HN 0.929 nan 8.310 nan 0.000 0.585 140 D N 1.957 122.360 120.400 0.005 0.000 2.443 140 D HA 0.105 4.745 4.640 -0.000 0.000 0.234 140 D C 0.741 177.043 176.300 0.003 0.000 1.172 140 D CA 0.395 54.397 54.000 0.004 0.000 0.878 140 D CB 0.284 41.086 40.800 0.004 0.000 1.204 140 D HN 0.151 nan 8.370 nan 0.000 0.453 141 S N 0.460 116.161 115.700 0.002 0.000 2.488 141 S HA -0.204 4.266 4.470 -0.000 0.000 0.246 141 S C 1.478 176.079 174.600 0.002 0.000 0.992 141 S CA 1.188 59.388 58.200 0.002 0.000 0.963 141 S CB -0.282 62.918 63.200 0.000 0.000 0.754 141 S HN 0.657 nan 8.310 nan 0.000 0.519 142 K N 1.758 122.160 120.400 0.003 0.000 1.995 142 K HA 0.039 4.359 4.320 -0.000 0.000 0.207 142 K C 2.372 178.975 176.600 0.004 0.000 1.041 142 K CA 1.042 57.331 56.287 0.003 0.000 0.942 142 K CB -0.484 32.019 32.500 0.004 0.000 0.731 142 K HN 0.230 nan 8.250 nan 0.000 0.439 143 A N 2.002 124.825 122.820 0.005 0.000 1.917 143 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 143 A C 2.092 179.680 177.584 0.006 0.000 1.182 143 A CA 1.688 53.729 52.037 0.006 0.000 0.633 143 A CB -0.667 18.337 19.000 0.007 0.000 0.819 143 A HN 0.374 nan 8.150 nan 0.000 0.448 144 I N -0.120 120.453 120.570 0.005 0.000 2.076 144 I HA -0.260 3.910 4.170 -0.000 0.000 0.237 144 I C 3.004 179.123 176.117 0.004 0.000 1.059 144 I CA 1.657 62.960 61.300 0.005 0.000 1.317 144 I CB -1.813 36.189 38.000 0.003 0.000 1.037 144 I HN 0.365 nan 8.210 nan 0.000 0.398 145 A N 0.032 122.854 122.820 0.002 0.000 1.978 145 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 145 A C 2.216 179.802 177.584 0.003 0.000 1.170 145 A CA 1.999 54.037 52.037 0.002 0.000 0.636 145 A CB -0.675 18.326 19.000 0.001 0.000 0.810 145 A HN 0.522 nan 8.150 nan 0.000 0.448 146 Q N 0.062 119.864 119.800 0.004 0.000 1.858 146 Q HA -0.194 4.146 4.340 -0.000 0.000 0.240 146 Q C 2.021 178.024 176.000 0.005 0.000 1.014 146 Q CA 2.968 58.773 55.803 0.005 0.000 0.884 146 Q CB -1.133 27.609 28.738 0.006 0.000 0.957 146 Q HN 0.581 nan 8.270 nan 0.000 0.419 147 V N 0.506 120.424 119.914 0.007 0.000 2.277 147 V HA -0.296 3.824 4.120 -0.000 0.000 0.253 147 V C 1.889 177.988 176.094 0.009 0.000 1.067 147 V CA 3.147 65.452 62.300 0.008 0.000 1.047 147 V CB -1.501 30.328 31.823 0.011 0.000 0.649 147 V HN 0.631 nan 8.190 nan 0.000 0.447 148 G N -0.251 108.554 108.800 0.008 0.000 2.628 148 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.217 148 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.217 148 G C 1.786 176.690 174.900 0.006 0.000 1.240 148 G CA 2.848 47.952 45.100 0.007 0.000 0.792 148 G HN 0.851 nan 8.290 nan 0.000 0.593 149 T N 0.194 114.750 114.554 0.003 0.000 2.721 149 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 149 T C 2.372 177.073 174.700 0.001 0.000 1.038 149 T CA 1.685 63.786 62.100 0.002 0.000 1.145 149 T CB -0.404 68.465 68.868 0.001 0.000 0.858 149 T HN 0.322 nan 8.240 nan 0.000 0.459 150 I N 1.311 121.882 120.570 0.002 0.000 2.163 150 I HA -0.115 4.055 4.170 -0.000 0.000 0.240 150 I C 3.037 179.154 176.117 0.000 0.000 1.081 150 I CA 1.505 62.804 61.300 -0.000 0.000 1.353 150 I CB -0.637 37.363 38.000 -0.000 0.000 1.054 150 I HN 0.319 nan 8.210 nan 0.000 0.407 151 S N 0.549 116.252 115.700 0.005 0.000 2.474 151 S HA -0.011 4.459 4.470 -0.000 0.000 0.235 151 S C 1.859 176.465 174.600 0.010 0.000 0.997 151 S CA 1.027 59.233 58.200 0.009 0.000 0.949 151 S CB -0.181 63.030 63.200 0.019 0.000 0.766 151 S HN 0.446 nan 8.310 nan 0.000 0.517 152 A N 1.127 123.951 122.820 0.007 0.000 2.251 152 A HA 0.322 4.642 4.320 -0.000 0.000 0.209 152 A C 0.639 178.224 177.584 0.002 0.000 1.187 152 A CA 0.255 52.296 52.037 0.006 0.000 0.823 152 A CB -0.810 18.193 19.000 0.004 0.000 0.846 152 A HN 0.802 nan 8.150 nan 0.000 0.486 153 N N -0.579 118.121 118.700 -0.001 0.000 2.681 153 N HA -0.227 4.513 4.740 -0.000 0.000 0.265 153 N C 0.408 175.915 175.510 -0.005 0.000 1.157 153 N CA 0.273 53.320 53.050 -0.005 0.000 0.674 153 N CB -1.081 37.403 38.487 -0.005 0.000 0.887 153 N HN 0.347 nan 8.380 nan 0.000 0.557 154 S N -1.095 114.602 115.700 -0.005 0.000 2.194 154 S HA -0.297 4.173 4.470 -0.000 0.000 0.225 154 S C 0.110 174.709 174.600 -0.003 0.000 1.176 154 S CA 1.540 59.737 58.200 -0.005 0.000 1.694 154 S CB -0.923 62.273 63.200 -0.006 0.000 2.249 154 S HN 0.857 nan 8.310 nan 0.000 0.601 155 D N 2.628 123.027 120.400 -0.003 0.000 2.433 155 D HA 0.018 4.658 4.640 -0.000 0.000 0.274 155 D C 1.069 177.368 176.300 -0.001 0.000 1.344 155 D CA 0.564 54.562 54.000 -0.002 0.000 0.989 155 D CB 0.253 41.052 40.800 -0.002 0.000 1.116 155 D HN 0.608 nan 8.370 nan 0.000 0.533 156 E N 1.356 121.555 120.200 -0.001 0.000 2.077 156 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 156 E C 2.025 178.624 176.600 -0.002 0.000 0.989 156 E CA 1.666 58.066 56.400 -0.001 0.000 0.800 156 E CB -0.036 29.664 29.700 -0.001 0.000 0.746 156 E HN 0.692 nan 8.360 nan 0.000 0.452 157 T N -0.418 114.134 114.554 -0.002 0.000 2.685 157 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 157 T C 2.062 176.760 174.700 -0.003 0.000 1.034 157 T CA 1.625 63.723 62.100 -0.003 0.000 1.149 157 T CB -0.778 68.088 68.868 -0.003 0.000 0.860 157 T HN -0.032 nan 8.240 nan 0.000 0.449 158 V N 2.370 122.282 119.914 -0.003 0.000 2.216 158 V HA -0.004 4.116 4.120 -0.000 0.000 0.243 158 V C 3.199 179.291 176.094 -0.003 0.000 1.044 158 V CA 1.986 64.284 62.300 -0.003 0.000 0.995 158 V CB -1.699 30.123 31.823 -0.001 0.000 0.633 158 V HN 0.653 nan 8.190 nan 0.000 0.446 159 G N -0.199 108.601 108.800 -0.001 0.000 2.545 159 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.222 159 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.222 159 G C 1.567 176.466 174.900 -0.002 0.000 1.126 159 G CA 1.587 46.687 45.100 -0.000 0.000 0.754 159 G HN 0.552 nan 8.290 nan 0.000 0.583 160 K N -0.195 120.204 120.400 -0.002 0.000 1.980 160 K HA -0.162 4.158 4.320 -0.000 0.000 0.223 160 K C 2.520 179.117 176.600 -0.005 0.000 1.052 160 K CA 1.760 58.045 56.287 -0.003 0.000 0.974 160 K CB -0.442 32.056 32.500 -0.003 0.000 0.734 160 K HN 0.174 nan 8.250 nan 0.000 0.447 161 L N 1.465 122.685 121.223 -0.006 0.000 2.064 161 L HA -0.256 4.084 4.340 -0.000 0.000 0.216 161 L C 2.372 179.236 176.870 -0.010 0.000 1.077 161 L CA 1.784 56.619 54.840 -0.008 0.000 0.766 161 L CB -0.656 41.397 42.059 -0.010 0.000 0.890 161 L HN 0.380 nan 8.230 nan 0.000 0.435 162 I N -0.866 119.698 120.570 -0.009 0.000 2.151 162 I HA -0.371 3.799 4.170 -0.000 0.000 0.243 162 I C 2.652 178.763 176.117 -0.009 0.000 1.080 162 I CA 1.435 62.728 61.300 -0.011 0.000 1.339 162 I CB -0.762 37.233 38.000 -0.008 0.000 1.039 162 I HN 0.294 nan 8.210 nan 0.000 0.409 163 A N 0.677 123.493 122.820 -0.006 0.000 1.877 163 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 163 A C 2.218 179.799 177.584 -0.005 0.000 1.186 163 A CA 1.790 53.825 52.037 -0.004 0.000 0.620 163 A CB -0.668 18.331 19.000 -0.002 0.000 0.822 163 A HN 0.477 nan 8.150 nan 0.000 0.443 164 E N -0.005 120.191 120.200 -0.006 0.000 2.049 164 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 164 E C 2.357 178.952 176.600 -0.008 0.000 1.007 164 E CA 1.066 57.462 56.400 -0.007 0.000 0.809 164 E CB -0.461 29.235 29.700 -0.007 0.000 0.749 164 E HN 0.603 nan 8.360 nan 0.000 0.450 165 A N 1.894 124.708 122.820 -0.010 0.000 1.859 165 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 165 A C 2.289 179.866 177.584 -0.011 0.000 1.242 165 A CA 2.501 54.530 52.037 -0.013 0.000 0.661 165 A CB -0.951 18.039 19.000 -0.017 0.000 0.842 165 A HN 0.201 nan 8.150 nan 0.000 0.455 166 M N -1.160 118.433 119.600 -0.011 0.000 2.255 166 M HA -0.210 4.270 4.480 -0.000 0.000 0.259 166 M C 1.676 177.972 176.300 -0.006 0.000 1.071 166 M CA 2.004 57.299 55.300 -0.009 0.000 1.074 166 M CB -0.718 31.878 32.600 -0.007 0.000 1.384 166 M HN 0.569 nan 8.290 nan 0.000 0.415 167 D N 0.320 120.717 120.400 -0.006 0.000 2.312 167 D HA -0.087 4.553 4.640 -0.000 0.000 0.211 167 D C 1.902 178.199 176.300 -0.005 0.000 0.964 167 D CA 0.915 54.913 54.000 -0.004 0.000 0.877 167 D CB 0.358 41.155 40.800 -0.004 0.000 0.924 167 D HN 0.123 nan 8.370 nan 0.000 0.515 168 K N -0.295 120.101 120.400 -0.007 0.000 2.118 168 K HA 0.087 4.407 4.320 -0.000 0.000 0.214 168 K C 1.594 178.189 176.600 -0.007 0.000 1.023 168 K CA 0.328 56.611 56.287 -0.007 0.000 0.948 168 K CB -1.012 31.483 32.500 -0.009 0.000 0.851 168 K HN -0.003 nan 8.250 nan 0.000 0.455 169 V N 1.018 120.926 119.914 -0.009 0.000 3.630 169 V HA 0.137 4.257 4.120 -0.000 0.000 0.273 169 V C 0.340 176.430 176.094 -0.006 0.000 1.248 169 V CA 1.077 63.373 62.300 -0.008 0.000 1.170 169 V CB -0.949 30.868 31.823 -0.011 0.000 0.899 169 V HN 0.662 nan 8.190 nan 0.000 0.457 170 G N 0.369 109.165 108.800 -0.005 0.000 2.710 170 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.668 170 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.668 170 G C 0.201 175.098 174.900 -0.004 0.000 1.320 170 G CA 0.088 45.186 45.100 -0.003 0.000 0.860 170 G HN 0.311 nan 8.290 nan 0.000 0.538 171 K N -0.052 120.348 120.400 -0.001 0.000 2.155 171 K HA 0.000 4.320 4.320 -0.000 0.000 0.203 171 K C 1.901 178.501 176.600 -0.001 0.000 1.052 171 K CA 1.744 58.031 56.287 -0.001 0.000 0.948 171 K CB 0.025 32.527 32.500 0.003 0.000 0.728 171 K HN 0.394 nan 8.250 nan 0.000 0.448 172 E N 0.249 120.450 120.200 0.001 0.000 2.479 172 E HA 0.067 4.417 4.350 -0.000 0.000 0.193 172 E C 0.559 177.158 176.600 -0.001 0.000 1.049 172 E CA -0.071 56.331 56.400 0.003 0.000 0.870 172 E CB 0.270 29.974 29.700 0.007 0.000 0.944 172 E HN 0.286 nan 8.360 nan 0.000 0.492 173 G N 0.157 108.954 108.800 -0.005 0.000 2.732 173 G HA2 0.150 4.110 3.960 -0.000 0.000 0.244 173 G HA3 0.150 4.110 3.960 -0.000 0.000 0.244 173 G C -0.184 174.708 174.900 -0.015 0.000 1.226 173 G CA -0.442 44.652 45.100 -0.009 0.000 0.860 173 G HN 0.048 nan 8.290 nan 0.000 0.583 174 V N 1.482 121.385 119.914 -0.019 0.000 2.350 174 V HA 0.317 4.437 4.120 -0.000 0.000 0.276 174 V C -0.194 175.880 176.094 -0.034 0.000 1.028 174 V CA -0.358 61.925 62.300 -0.028 0.000 0.860 174 V CB 0.760 32.564 31.823 -0.031 0.000 0.990 174 V HN 0.447 nan 8.190 nan 0.000 0.453 175 I N 4.845 125.391 120.570 -0.041 0.000 2.493 175 I HA 0.744 4.914 4.170 -0.000 0.000 0.298 175 I C 0.488 176.574 176.117 -0.052 0.000 0.998 175 I CA 0.088 61.362 61.300 -0.043 0.000 1.137 175 I CB 2.240 40.214 38.000 -0.043 0.000 1.310 175 I HN 0.790 nan 8.210 nan 0.000 0.445 176 T N 1.701 116.227 114.554 -0.046 0.000 2.838 176 T HA 0.908 5.258 4.350 -0.000 0.000 0.292 176 T C -0.942 173.735 174.700 -0.040 0.000 1.113 176 T CA -0.793 61.279 62.100 -0.047 0.000 1.008 176 T CB 1.629 70.471 68.868 -0.043 0.000 1.259 176 T HN 0.251 nan 8.240 nan 0.000 0.520 177 V N 0.786 120.679 119.914 -0.036 0.000 2.760 177 V HA 0.668 4.788 4.120 -0.000 0.000 0.309 177 V C -0.950 175.130 176.094 -0.023 0.000 1.077 177 V CA -0.833 61.450 62.300 -0.028 0.000 0.910 177 V CB 1.817 33.624 31.823 -0.027 0.000 1.008 177 V HN 1.053 nan 8.190 nan 0.000 0.424 178 E N 1.449 121.637 120.200 -0.020 0.000 2.314 178 E HA 0.440 4.790 4.350 -0.000 0.000 0.272 178 E C -1.732 174.859 176.600 -0.015 0.000 0.884 178 E CA -1.041 55.348 56.400 -0.018 0.000 0.753 178 E CB 2.254 31.942 29.700 -0.020 0.000 1.213 178 E HN 0.696 nan 8.360 nan 0.000 0.432 179 D N 1.246 121.638 120.400 -0.013 0.000 2.506 179 D HA 0.179 4.819 4.640 -0.000 0.000 0.234 179 D C 0.370 176.663 176.300 -0.012 0.000 1.143 179 D CA 0.646 54.639 54.000 -0.011 0.000 0.871 179 D CB 0.540 41.334 40.800 -0.010 0.000 1.190 179 D HN 0.470 nan 8.370 nan 0.000 0.459 180 G N -0.023 108.771 108.800 -0.011 0.000 2.527 180 G HA2 0.290 4.250 3.960 -0.000 0.000 0.248 180 G HA3 0.290 4.250 3.960 -0.000 0.000 0.248 180 G C 1.148 176.042 174.900 -0.010 0.000 1.231 180 G CA -0.190 44.904 45.100 -0.011 0.000 0.838 180 G HN 0.533 nan 8.290 nan 0.000 0.570 181 T N -0.672 113.876 114.554 -0.011 0.000 2.978 181 T HA 0.263 4.613 4.350 -0.000 0.000 0.262 181 T C 1.385 176.080 174.700 -0.009 0.000 1.063 181 T CA 1.119 63.212 62.100 -0.010 0.000 1.140 181 T CB 0.055 68.916 68.868 -0.011 0.000 0.886 181 T HN 0.738 nan 8.240 nan 0.000 0.470 182 G N 0.721 109.516 108.800 -0.008 0.000 3.286 182 G HA2 0.522 4.482 3.960 -0.000 0.000 0.166 182 G HA3 0.522 4.482 3.960 -0.000 0.000 0.166 182 G C 0.188 175.084 174.900 -0.007 0.000 1.155 182 G CA -0.080 45.016 45.100 -0.007 0.000 0.871 182 G HN 0.252 nan 8.290 nan 0.000 0.637 183 L N -0.738 120.482 121.223 -0.006 0.000 2.513 183 L HA 0.420 4.760 4.340 -0.000 0.000 0.222 183 L C 0.662 177.528 176.870 -0.006 0.000 1.096 183 L CA 0.451 55.288 54.840 -0.006 0.000 0.857 183 L CB -0.193 41.863 42.059 -0.005 0.000 1.026 183 L HN 0.181 nan 8.230 nan 0.000 0.469 184 Q N 1.143 120.939 119.800 -0.006 0.000 2.259 184 Q HA 0.195 4.535 4.340 -0.000 0.000 0.246 184 Q C -0.793 175.202 176.000 -0.007 0.000 0.920 184 Q CA -0.279 55.520 55.803 -0.007 0.000 0.895 184 Q CB 1.114 29.848 28.738 -0.007 0.000 1.220 184 Q HN 0.214 nan 8.270 nan 0.000 0.439 185 D N 1.619 122.015 120.400 -0.007 0.000 2.339 185 D HA 0.225 4.865 4.640 -0.000 0.000 0.245 185 D C -0.376 175.919 176.300 -0.009 0.000 1.115 185 D CA 0.177 54.172 54.000 -0.008 0.000 0.917 185 D CB 0.836 41.631 40.800 -0.008 0.000 1.192 185 D HN 0.283 nan 8.370 nan 0.000 0.428 186 E N 0.500 120.694 120.200 -0.011 0.000 2.290 186 E HA 0.431 4.781 4.350 -0.000 0.000 0.274 186 E C -0.986 175.606 176.600 -0.013 0.000 0.889 186 E CA -0.638 55.755 56.400 -0.011 0.000 0.760 186 E CB 2.504 32.197 29.700 -0.012 0.000 1.206 186 E HN 0.196 nan 8.360 nan 0.000 0.419 187 L N 3.499 124.714 121.223 -0.013 0.000 2.343 187 L HA 0.524 4.864 4.340 -0.000 0.000 0.278 187 L C -1.570 175.292 176.870 -0.014 0.000 0.996 187 L CA -0.419 54.413 54.840 -0.014 0.000 0.831 187 L CB 0.855 42.907 42.059 -0.013 0.000 1.232 187 L HN 0.544 nan 8.230 nan 0.000 0.413 188 D N 4.226 124.616 120.400 -0.015 0.000 2.732 188 D HA 0.423 5.063 4.640 -0.000 0.000 0.229 188 D C -0.921 175.369 176.300 -0.017 0.000 1.152 188 D CA -0.170 53.820 54.000 -0.015 0.000 0.854 188 D CB 3.018 43.809 40.800 -0.016 0.000 1.590 188 D HN 0.326 nan 8.370 nan 0.000 0.468 189 V N -0.776 119.129 119.914 -0.015 0.000 2.417 189 V HA 0.790 4.910 4.120 -0.000 0.000 0.291 189 V C -0.256 175.828 176.094 -0.016 0.000 1.024 189 V CA -0.608 61.683 62.300 -0.015 0.000 0.861 189 V CB 1.468 33.283 31.823 -0.013 0.000 0.985 189 V HN 0.316 nan 8.190 nan 0.000 0.436 190 V N 3.213 123.117 119.914 -0.018 0.000 2.925 190 V HA 0.545 4.665 4.120 -0.000 0.000 0.311 190 V C -0.202 175.882 176.094 -0.017 0.000 1.104 190 V CA -0.535 61.754 62.300 -0.018 0.000 0.954 190 V CB 2.230 34.041 31.823 -0.021 0.000 1.022 190 V HN 1.043 nan 8.190 nan 0.000 0.427 191 E N 3.435 123.626 120.200 -0.015 0.000 2.729 191 E HA 0.329 4.679 4.350 -0.000 0.000 0.246 191 E C 0.250 176.842 176.600 -0.015 0.000 0.984 191 E CA 1.073 57.466 56.400 -0.012 0.000 0.951 191 E CB 0.431 30.125 29.700 -0.010 0.000 0.914 191 E HN 0.994 nan 8.360 nan 0.000 0.509 192 G N 1.625 110.417 108.800 -0.013 0.000 2.682 192 G HA2 0.691 4.651 3.960 -0.000 0.000 0.303 192 G HA3 0.691 4.651 3.960 -0.000 0.000 0.303 192 G C -1.017 173.876 174.900 -0.012 0.000 1.341 192 G CA -0.531 44.558 45.100 -0.018 0.000 0.784 192 G HN 0.420 nan 8.290 nan 0.000 0.497 193 M N -0.627 118.958 119.600 -0.025 0.000 2.956 193 M HA 0.570 5.050 4.480 -0.000 0.000 0.272 193 M C -2.462 173.792 176.300 -0.076 0.000 1.132 193 M CA -0.657 54.636 55.300 -0.013 0.000 0.805 193 M CB 2.165 34.789 32.600 0.040 0.000 1.639 193 M HN 0.805 nan 8.290 nan 0.000 0.520 194 Q N 2.201 121.961 119.800 -0.067 0.000 2.482 194 Q HA 0.744 5.084 4.340 -0.000 0.000 0.286 194 Q C -2.292 173.670 176.000 -0.063 0.000 1.007 194 Q CA -0.624 55.061 55.803 -0.196 0.000 0.801 194 Q CB 2.807 31.469 28.738 -0.127 0.000 1.455 194 Q HN 0.661 nan 8.270 nan 0.000 0.398 195 F N -0.969 118.988 119.950 0.013 0.000 2.703 195 F HA 0.438 4.965 4.527 -0.000 0.000 0.308 195 F C -1.608 174.203 175.800 0.018 0.000 1.126 195 F CA -1.388 56.622 58.000 0.016 0.000 0.959 195 F CB 0.619 39.629 39.000 0.018 0.000 1.297 195 F HN 0.303 nan 8.300 nan 0.000 0.441 196 D N 2.385 122.985 120.400 0.332 0.000 2.342 196 D HA 0.469 5.109 4.640 -0.000 0.000 0.260 196 D C -0.427 176.035 176.300 0.271 0.000 1.278 196 D CA 0.529 54.659 54.000 0.215 0.000 0.910 196 D CB 0.518 41.395 40.800 0.129 0.000 1.079 196 D HN 0.600 nan 8.370 nan 0.000 0.496 197 R N 1.054 121.707 120.500 0.255 0.000 3.008 197 R HA 0.434 4.774 4.340 -0.000 0.000 0.284 197 R C -0.342 176.034 176.300 0.126 0.000 1.187 197 R CA -0.430 55.804 56.100 0.223 0.000 1.139 197 R CB 1.004 31.540 30.300 0.393 0.000 1.273 197 R HN 0.415 nan 8.270 nan 0.000 0.410 198 G N 2.164 110.961 108.800 -0.005 0.000 2.504 198 G HA2 0.372 4.332 3.960 -0.000 0.000 0.288 198 G HA3 0.372 4.332 3.960 -0.000 0.000 0.288 198 G C -0.504 174.333 174.900 -0.104 0.000 1.182 198 G CA -0.467 44.531 45.100 -0.169 0.000 0.894 198 G HN 0.515 nan 8.290 nan 0.000 0.521 199 Y N -0.745 119.653 120.300 0.164 0.000 2.641 199 Y HA 0.240 4.790 4.550 -0.000 0.000 0.351 199 Y C 0.744 176.765 175.900 0.203 0.000 1.269 199 Y CA -0.982 57.267 58.100 0.248 0.000 1.485 199 Y CB 0.172 38.839 38.460 0.345 0.000 1.364 199 Y HN 0.125 nan 8.280 nan 0.000 0.651 200 L N 1.381 122.928 121.223 0.541 0.000 2.653 200 L HA 0.318 4.658 4.340 -0.000 0.000 0.231 200 L C 0.235 177.180 176.870 0.125 0.000 1.153 200 L CA 0.480 55.493 54.840 0.288 0.000 0.933 200 L CB -0.659 41.535 42.059 0.225 0.000 1.175 200 L HN 0.726 nan 8.230 nan 0.000 0.473 201 S N -1.571 114.210 115.700 0.135 0.000 2.582 201 S HA 0.350 4.820 4.470 -0.000 0.000 0.296 201 S C -2.414 171.862 174.600 -0.540 0.000 1.118 201 S CA -0.600 57.379 58.200 -0.368 0.000 0.947 201 S CB 1.318 63.856 63.200 -1.104 0.000 1.131 201 S HN -0.155 nan 8.310 nan 0.000 0.453 202 P HA -0.023 nan 4.420 nan 0.000 0.220 202 P C 0.492 177.628 177.300 -0.273 0.000 1.148 202 P CA 0.851 63.686 63.100 -0.441 0.000 0.803 202 P CB -0.075 31.592 31.700 -0.054 0.000 0.782 203 Y N -2.586 117.500 120.300 -0.356 0.000 2.680 203 Y HA -0.058 4.492 4.550 -0.000 0.000 0.303 203 Y C 1.600 177.456 175.900 -0.074 0.000 1.166 203 Y CA 0.434 58.408 58.100 -0.211 0.000 1.344 203 Y CB -1.177 37.162 38.460 -0.202 0.000 1.002 203 Y HN -0.016 nan 8.280 nan 0.000 0.537 204 F N -0.680 119.214 119.950 -0.092 0.000 2.530 204 F HA 0.144 4.671 4.527 0.000 0.000 0.292 204 F C 1.177 176.895 175.800 -0.137 0.000 1.109 204 F CA -0.915 57.020 58.000 -0.109 0.000 1.450 204 F CB -0.612 38.303 39.000 -0.141 0.000 1.114 204 F HN -0.186 nan 8.300 nan 0.000 0.560 205 I N 2.994 123.543 120.570 -0.035 0.000 2.906 205 I HA -0.194 3.976 4.170 -0.000 0.000 0.302 205 I C 1.069 177.179 176.117 -0.012 0.000 1.220 205 I CA 0.634 61.901 61.300 -0.056 0.000 1.441 205 I CB 0.260 38.194 38.000 -0.110 0.000 1.336 205 I HN 0.244 nan 8.210 nan 0.000 0.565 206 N N 4.909 123.608 118.700 -0.002 0.000 2.143 206 N HA 0.044 4.784 4.740 -0.000 0.000 0.222 206 N C -0.249 175.258 175.510 -0.005 0.000 1.264 206 N CA -0.214 52.835 53.050 -0.002 0.000 0.897 206 N CB 0.719 39.208 38.487 0.003 0.000 1.092 206 N HN 0.398 nan 8.380 nan 0.000 0.516 207 K N 1.933 122.331 120.400 -0.003 0.000 2.842 207 K HA 0.311 4.631 4.320 -0.000 0.000 0.176 207 K C -1.874 174.726 176.600 -0.000 0.000 1.080 207 K CA -1.631 54.657 56.287 0.001 0.000 0.954 207 K CB 2.191 34.698 32.500 0.012 0.000 1.203 207 K HN -0.030 nan 8.250 nan 0.000 0.611 208 P HA -0.240 nan 4.420 nan 0.000 0.217 208 P C 0.843 178.140 177.300 -0.006 0.000 1.162 208 P CA 1.424 64.513 63.100 -0.019 0.000 0.901 208 P CB 0.470 32.153 31.700 -0.028 0.000 0.793 209 E N -0.983 119.216 120.200 -0.001 0.000 2.401 209 E HA -0.061 4.289 4.350 -0.000 0.000 0.199 209 E C 1.531 178.141 176.600 0.018 0.000 1.023 209 E CA 1.080 57.483 56.400 0.006 0.000 0.859 209 E CB -0.572 29.130 29.700 0.005 0.000 0.780 209 E HN 0.357 nan 8.360 nan 0.000 0.523 210 T N -1.474 113.094 114.554 0.024 0.000 2.985 210 T HA 0.197 4.547 4.350 -0.000 0.000 0.254 210 T C 1.167 175.901 174.700 0.056 0.000 1.021 210 T CA 0.402 62.527 62.100 0.041 0.000 0.957 210 T CB 0.738 69.630 68.868 0.039 0.000 1.047 210 T HN 0.263 nan 8.240 nan 0.000 0.511 211 G N 1.962 110.790 108.800 0.046 0.000 2.296 211 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.282 211 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.282 211 G C 0.176 175.147 174.900 0.118 0.000 1.014 211 G CA 0.346 45.486 45.100 0.068 0.000 0.812 211 G HN 0.914 nan 8.290 nan 0.000 0.508 212 A N -1.652 121.220 122.820 0.086 0.000 2.389 212 A HA 0.937 5.257 4.320 -0.000 0.000 0.293 212 A C -0.445 177.182 177.584 0.071 0.000 1.186 212 A CA -0.264 51.837 52.037 0.108 0.000 0.828 212 A CB 2.073 21.122 19.000 0.081 0.000 1.369 212 A HN 1.168 nan 8.150 nan 0.000 0.446 213 V N 1.434 121.397 119.914 0.081 0.000 2.419 213 V HA 0.324 4.444 4.120 -0.000 0.000 0.287 213 V C -0.701 175.409 176.094 0.026 0.000 1.017 213 V CA -0.375 61.954 62.300 0.048 0.000 0.844 213 V CB 1.086 32.947 31.823 0.064 0.000 1.011 213 V HN 0.884 nan 8.190 nan 0.000 0.429 214 E N 5.467 125.673 120.200 0.010 0.000 2.134 214 E HA 0.634 4.984 4.350 -0.000 0.000 0.278 214 E C -1.134 175.460 176.600 -0.010 0.000 0.959 214 E CA -0.458 55.941 56.400 -0.002 0.000 0.783 214 E CB 2.107 31.805 29.700 -0.003 0.000 1.095 214 E HN 0.512 nan 8.360 nan 0.000 0.399 215 L N 2.398 123.611 121.223 -0.017 0.000 2.342 215 L HA 0.387 4.727 4.340 -0.000 0.000 0.271 215 L C 0.002 176.857 176.870 -0.024 0.000 1.008 215 L CA -1.077 53.751 54.840 -0.020 0.000 0.818 215 L CB 1.664 43.709 42.059 -0.024 0.000 1.296 215 L HN 0.338 nan 8.230 nan 0.000 0.427 216 E N 1.508 121.695 120.200 -0.023 0.000 2.081 216 E HA 0.129 4.479 4.350 -0.000 0.000 0.281 216 E C 0.256 176.826 176.600 -0.050 0.000 0.986 216 E CA -0.126 56.254 56.400 -0.032 0.000 0.796 216 E CB 1.387 31.072 29.700 -0.025 0.000 1.085 216 E HN 0.669 nan 8.360 nan 0.000 0.398 217 S N 1.787 117.446 115.700 -0.069 0.000 3.294 217 S HA -0.183 4.287 4.470 -0.000 0.000 0.361 217 S C -2.243 172.258 174.600 -0.165 0.000 0.935 217 S CA 0.047 58.179 58.200 -0.113 0.000 1.263 217 S CB -1.781 61.346 63.200 -0.121 0.000 0.891 217 S HN 0.261 nan 8.310 nan 0.000 0.487 218 P HA 0.593 nan 4.420 nan 0.000 0.279 218 P C 0.357 177.582 177.300 -0.125 0.000 1.282 218 P CA -0.795 62.274 63.100 -0.051 0.000 0.788 218 P CB 0.313 32.035 31.700 0.036 0.000 1.139 219 F N -0.861 119.081 119.950 -0.015 0.000 2.368 219 F HA 0.462 4.989 4.527 0.000 0.000 0.315 219 F C 0.695 176.490 175.800 -0.007 0.000 1.145 219 F CA -0.056 57.938 58.000 -0.009 0.000 1.095 219 F CB 0.136 39.131 39.000 -0.008 0.000 1.286 219 F HN -0.022 nan 8.300 nan 0.000 0.530 220 I N 2.426 123.115 120.570 0.199 0.000 2.647 220 I HA 0.293 4.463 4.170 -0.000 0.000 0.295 220 I C -1.392 174.786 176.117 0.103 0.000 1.078 220 I CA -0.881 60.488 61.300 0.116 0.000 1.048 220 I CB 2.121 40.167 38.000 0.076 0.000 1.239 220 I HN 0.222 nan 8.210 nan 0.000 0.421 221 L N 7.010 128.279 121.223 0.076 0.000 2.329 221 L HA 0.592 4.932 4.340 -0.000 0.000 0.279 221 L C -1.177 175.724 176.870 0.052 0.000 1.014 221 L CA -0.551 54.323 54.840 0.056 0.000 0.814 221 L CB 1.682 43.765 42.059 0.040 0.000 1.257 221 L HN 0.598 nan 8.230 nan 0.000 0.424 222 L N 5.727 126.975 121.223 0.041 0.000 2.495 222 L HA 0.437 4.777 4.340 -0.000 0.000 0.248 222 L C 0.535 177.419 176.870 0.023 0.000 1.229 222 L CA -0.346 54.515 54.840 0.034 0.000 0.942 222 L CB 1.099 43.178 42.059 0.033 0.000 1.242 222 L HN 0.727 nan 8.230 nan 0.000 0.484 223 A N 0.488 123.321 122.820 0.022 0.000 2.256 223 A HA 0.286 4.606 4.320 -0.000 0.000 0.276 223 A C 0.451 178.041 177.584 0.010 0.000 1.259 223 A CA 0.376 52.422 52.037 0.015 0.000 0.813 223 A CB 0.443 19.454 19.000 0.018 0.000 1.200 223 A HN 0.643 nan 8.150 nan 0.000 0.506 224 D N -2.687 117.718 120.400 0.008 0.000 2.523 224 D HA 0.147 4.787 4.640 -0.000 0.000 0.269 224 D C -0.044 176.260 176.300 0.007 0.000 1.374 224 D CA 0.080 54.083 54.000 0.004 0.000 0.820 224 D CB 0.027 40.828 40.800 0.002 0.000 1.211 224 D HN 0.633 nan 8.370 nan 0.000 0.502 225 K N -0.557 119.849 120.400 0.010 0.000 2.409 225 K HA 0.642 4.962 4.320 -0.000 0.000 0.252 225 K C -0.942 175.667 176.600 0.016 0.000 1.036 225 K CA -1.057 55.237 56.287 0.012 0.000 0.871 225 K CB 1.388 33.894 32.500 0.010 0.000 1.374 225 K HN -0.330 nan 8.250 nan 0.000 0.459 226 K N 1.121 121.531 120.400 0.016 0.000 2.276 226 K HA 0.267 4.587 4.320 -0.000 0.000 0.283 226 K C -0.477 176.135 176.600 0.020 0.000 1.044 226 K CA -0.322 55.977 56.287 0.020 0.000 0.944 226 K CB 0.489 33.000 32.500 0.018 0.000 1.012 226 K HN 0.445 nan 8.250 nan 0.000 0.472 227 I N 3.421 124.007 120.570 0.025 0.000 2.337 227 I HA 0.066 4.236 4.170 -0.000 0.000 0.285 227 I C 0.956 177.088 176.117 0.025 0.000 1.041 227 I CA 0.041 61.355 61.300 0.025 0.000 1.199 227 I CB 0.160 38.178 38.000 0.030 0.000 1.370 227 I HN 0.736 nan 8.210 nan 0.000 0.470 228 S N 4.374 120.084 115.700 0.018 0.000 2.444 228 S HA 0.107 4.577 4.470 -0.000 0.000 0.223 228 S C 0.876 175.484 174.600 0.012 0.000 1.054 228 S CA -0.033 58.175 58.200 0.015 0.000 0.947 228 S CB 0.147 63.353 63.200 0.010 0.000 0.850 228 S HN 0.593 nan 8.310 nan 0.000 0.527 229 N N 1.012 119.718 118.700 0.010 0.000 2.529 229 N HA 0.270 5.010 4.740 -0.000 0.000 0.278 229 N C 0.421 175.937 175.510 0.009 0.000 1.146 229 N CA -0.193 52.861 53.050 0.007 0.000 0.980 229 N CB 1.081 39.571 38.487 0.005 0.000 1.124 229 N HN 0.172 nan 8.380 nan 0.000 0.458 230 I N 2.943 123.518 120.570 0.008 0.000 2.617 230 I HA -0.040 4.130 4.170 -0.000 0.000 0.256 230 I C 2.426 178.545 176.117 0.003 0.000 1.167 230 I CA 0.420 61.725 61.300 0.008 0.000 1.469 230 I CB -0.557 37.447 38.000 0.008 0.000 1.098 230 I HN 0.594 nan 8.210 nan 0.000 0.436 231 R N 1.628 122.129 120.500 0.002 0.000 2.168 231 R HA -0.322 4.018 4.340 -0.000 0.000 0.242 231 R C 2.140 178.439 176.300 -0.003 0.000 1.123 231 R CA 2.558 58.658 56.100 -0.001 0.000 0.928 231 R CB -0.316 29.983 30.300 -0.001 0.000 0.873 231 R HN 0.318 nan 8.270 nan 0.000 0.434 232 E N -0.042 120.158 120.200 -0.001 0.000 2.236 232 E HA -0.260 4.090 4.350 -0.000 0.000 0.205 232 E C 1.845 178.442 176.600 -0.006 0.000 1.028 232 E CA 2.172 58.570 56.400 -0.002 0.000 0.827 232 E CB -0.238 29.463 29.700 0.001 0.000 0.735 232 E HN 0.355 nan 8.360 nan 0.000 0.470 233 M N -0.390 119.207 119.600 -0.006 0.000 2.123 233 M HA 0.011 4.491 4.480 -0.000 0.000 0.263 233 M C 1.936 178.224 176.300 -0.020 0.000 1.069 233 M CA 1.107 56.400 55.300 -0.012 0.000 1.133 233 M CB -0.637 31.959 32.600 -0.006 0.000 1.356 233 M HN 0.049 nan 8.290 nan 0.000 0.415 234 L N 0.082 121.296 121.223 -0.016 0.000 2.143 234 L HA -0.336 4.004 4.340 -0.000 0.000 0.231 234 L C -0.437 176.416 176.870 -0.028 0.000 1.106 234 L CA 2.093 56.922 54.840 -0.019 0.000 0.827 234 L CB -2.878 39.172 42.059 -0.014 0.000 0.915 234 L HN 0.250 nan 8.230 nan 0.000 0.448 235 P HA -0.168 nan 4.420 nan 0.000 0.208 235 P C 1.829 179.098 177.300 -0.052 0.000 1.195 235 P CA 2.592 65.671 63.100 -0.034 0.000 0.927 235 P CB -0.384 31.300 31.700 -0.028 0.000 0.778 236 V N -1.405 118.474 119.914 -0.057 0.000 2.287 236 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 236 V C 2.721 178.753 176.094 -0.103 0.000 1.053 236 V CA 2.071 64.318 62.300 -0.088 0.000 1.027 236 V CB -2.305 29.473 31.823 -0.075 0.000 0.646 236 V HN -0.071 nan 8.190 nan 0.000 0.447 237 L N 0.999 122.180 121.223 -0.070 0.000 2.189 237 L HA -0.205 4.135 4.340 -0.000 0.000 0.214 237 L C 2.541 179.370 176.870 -0.067 0.000 1.097 237 L CA 2.571 57.374 54.840 -0.062 0.000 0.764 237 L CB -0.818 41.220 42.059 -0.035 0.000 0.900 237 L HN 0.676 nan 8.230 nan 0.000 0.436 238 E N -1.478 118.683 120.200 -0.064 0.000 2.190 238 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 238 E C 2.100 178.652 176.600 -0.080 0.000 0.978 238 E CA 0.638 57.003 56.400 -0.058 0.000 0.839 238 E CB 0.009 29.683 29.700 -0.043 0.000 0.787 238 E HN 0.561 nan 8.360 nan 0.000 0.473 239 A N 1.011 123.765 122.820 -0.110 0.000 1.898 239 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 239 A C 2.354 179.808 177.584 -0.218 0.000 1.181 239 A CA 1.667 53.615 52.037 -0.148 0.000 0.620 239 A CB -0.819 18.079 19.000 -0.170 0.000 0.819 239 A HN 0.296 nan 8.150 nan 0.000 0.442 240 V N -2.779 116.971 119.914 -0.274 0.000 2.871 240 V HA 0.134 4.254 4.120 -0.000 0.000 0.256 240 V C 2.382 178.395 176.094 -0.135 0.000 1.082 240 V CA 1.365 63.465 62.300 -0.335 0.000 1.105 240 V CB -1.246 30.375 31.823 -0.336 0.000 0.713 240 V HN 0.488 nan 8.190 nan 0.000 0.473 241 A N 1.277 124.041 122.820 -0.095 0.000 1.858 241 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 241 A C 2.293 179.858 177.584 -0.031 0.000 1.190 241 A CA 2.129 54.139 52.037 -0.046 0.000 0.617 241 A CB -0.523 18.453 19.000 -0.039 0.000 0.827 241 A HN 0.589 nan 8.150 nan 0.000 0.443 242 K N -0.269 120.107 120.400 -0.041 0.000 2.418 242 K HA 0.209 4.529 4.320 -0.000 0.000 0.195 242 K C 1.781 178.376 176.600 -0.009 0.000 1.035 242 K CA 0.566 56.840 56.287 -0.022 0.000 1.003 242 K CB -0.082 32.402 32.500 -0.025 0.000 0.793 242 K HN 0.425 nan 8.250 nan 0.000 0.494 243 A N 0.876 123.681 122.820 -0.025 0.000 2.167 243 A HA 0.101 4.421 4.320 -0.000 0.000 0.214 243 A C 1.645 179.291 177.584 0.102 0.000 1.151 243 A CA 0.925 52.983 52.037 0.036 0.000 0.735 243 A CB -0.523 18.440 19.000 -0.062 0.000 0.802 243 A HN 0.391 nan 8.150 nan 0.000 0.467 244 G N -0.848 107.988 108.800 0.060 0.000 2.166 244 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 244 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 244 G C 0.242 175.200 174.900 0.096 0.000 0.986 244 G CA 1.080 46.218 45.100 0.063 0.000 0.683 244 G HN 0.630 nan 8.290 nan 0.000 0.527 245 K N 0.019 120.523 120.400 0.174 0.000 2.295 245 K HA 0.589 4.909 4.320 -0.000 0.000 0.239 245 K C -2.463 174.247 176.600 0.184 0.000 0.991 245 K CA -2.164 54.248 56.287 0.209 0.000 0.845 245 K CB 1.825 34.544 32.500 0.365 0.000 1.197 245 K HN -0.015 nan 8.250 nan 0.000 0.441 246 P HA 0.232 nan 4.420 nan 0.000 0.289 246 P C -1.314 176.073 177.300 0.145 0.000 1.299 246 P CA -0.666 62.486 63.100 0.086 0.000 0.766 246 P CB 0.538 32.259 31.700 0.034 0.000 1.226 247 L N 0.592 121.855 121.223 0.067 0.000 2.565 247 L HA 0.422 4.762 4.340 -0.000 0.000 0.261 247 L C -1.940 174.937 176.870 0.010 0.000 0.932 247 L CA -0.717 54.171 54.840 0.081 0.000 0.878 247 L CB 1.598 43.688 42.059 0.052 0.000 1.333 247 L HN 0.276 nan 8.230 nan 0.000 0.409 248 L N 5.526 126.768 121.223 0.032 0.000 2.331 248 L HA 0.645 4.985 4.340 -0.000 0.000 0.275 248 L C -0.931 175.957 176.870 0.030 0.000 1.022 248 L CA -0.464 54.380 54.840 0.006 0.000 0.812 248 L CB 1.912 43.983 42.059 0.019 0.000 1.257 248 L HN 0.657 nan 8.230 nan 0.000 0.435 249 I N 4.913 125.498 120.570 0.026 0.000 2.569 249 I HA 0.481 4.651 4.170 -0.000 0.000 0.296 249 I C -0.610 175.554 176.117 0.077 0.000 1.028 249 I CA -0.645 60.683 61.300 0.047 0.000 1.082 249 I CB 2.552 40.573 38.000 0.034 0.000 1.264 249 I HN 0.456 nan 8.210 nan 0.000 0.429 250 I N 4.576 125.190 120.570 0.074 0.000 2.534 250 I HA 0.726 4.896 4.170 -0.000 0.000 0.286 250 I C -0.343 175.799 176.117 0.042 0.000 1.094 250 I CA -0.145 61.200 61.300 0.076 0.000 1.055 250 I CB 1.824 39.880 38.000 0.095 0.000 1.225 250 I HN 0.780 nan 8.210 nan 0.000 0.435 251 A N 4.834 127.674 122.820 0.033 0.000 2.506 251 A HA 0.496 4.816 4.320 -0.000 0.000 0.305 251 A C 0.468 178.062 177.584 0.017 0.000 1.166 251 A CA -0.468 51.581 52.037 0.020 0.000 0.638 251 A CB 0.920 19.936 19.000 0.027 0.000 1.336 251 A HN 0.517 nan 8.150 nan 0.000 0.493 252 E N 0.362 120.572 120.200 0.016 0.000 2.035 252 E HA -0.148 4.202 4.350 -0.000 0.000 0.204 252 E C 0.097 176.713 176.600 0.027 0.000 1.025 252 E CA 2.091 58.502 56.400 0.019 0.000 0.835 252 E CB 0.050 29.762 29.700 0.020 0.000 0.764 252 E HN 0.608 nan 8.360 nan 0.000 0.457 253 D N -2.417 118.003 120.400 0.034 0.000 3.213 253 D HA 0.210 4.850 4.640 -0.000 0.000 0.357 253 D C -1.631 174.698 176.300 0.049 0.000 1.446 253 D CA -0.402 53.624 54.000 0.044 0.000 0.893 253 D CB 1.360 42.181 40.800 0.035 0.000 1.466 253 D HN -0.159 nan 8.370 nan 0.000 0.541 254 V N 1.488 121.434 119.914 0.053 0.000 2.653 254 V HA 0.287 4.407 4.120 -0.000 0.000 0.298 254 V C -1.015 175.103 176.094 0.039 0.000 1.097 254 V CA -0.739 61.593 62.300 0.054 0.000 0.908 254 V CB 1.612 33.485 31.823 0.083 0.000 1.024 254 V HN 0.372 nan 8.190 nan 0.000 0.435 255 E N 2.522 122.737 120.200 0.026 0.000 2.289 255 E HA 0.450 4.800 4.350 -0.000 0.000 0.278 255 E C 1.453 178.058 176.600 0.009 0.000 1.032 255 E CA 0.719 57.127 56.400 0.014 0.000 0.854 255 E CB 1.366 31.072 29.700 0.009 0.000 1.046 255 E HN 0.751 nan 8.360 nan 0.000 0.409 256 G N 3.447 112.244 108.800 -0.004 0.000 2.803 256 G HA2 -0.497 3.463 3.960 -0.000 0.000 0.227 256 G HA3 -0.497 3.463 3.960 -0.000 0.000 0.227 256 G C 1.337 176.231 174.900 -0.010 0.000 1.129 256 G CA 1.652 46.742 45.100 -0.018 0.000 0.755 256 G HN 0.730 nan 8.290 nan 0.000 0.634 257 E N 0.427 120.624 120.200 -0.005 0.000 2.082 257 E HA -0.249 4.101 4.350 -0.000 0.000 0.215 257 E C 2.688 179.291 176.600 0.005 0.000 1.048 257 E CA 2.074 58.473 56.400 -0.002 0.000 0.869 257 E CB -0.450 29.251 29.700 0.001 0.000 0.773 257 E HN 0.478 nan 8.360 nan 0.000 0.466 258 A N 0.528 123.356 122.820 0.014 0.000 1.975 258 A HA 0.044 4.364 4.320 -0.000 0.000 0.215 258 A C 2.123 179.731 177.584 0.039 0.000 1.170 258 A CA 0.679 52.730 52.037 0.024 0.000 0.656 258 A CB -0.466 18.551 19.000 0.028 0.000 0.821 258 A HN 0.424 nan 8.150 nan 0.000 0.449 259 L N -0.187 121.059 121.223 0.038 0.000 1.925 259 L HA -0.098 4.242 4.340 -0.000 0.000 0.215 259 L C 2.766 179.648 176.870 0.019 0.000 1.082 259 L CA 1.715 56.587 54.840 0.052 0.000 0.764 259 L CB -0.599 41.478 42.059 0.029 0.000 0.887 259 L HN 0.345 nan 8.230 nan 0.000 0.432 260 A N -0.488 122.312 122.820 -0.033 0.000 2.023 260 A HA -0.339 3.981 4.320 -0.000 0.000 0.223 260 A C 2.233 179.792 177.584 -0.042 0.000 1.180 260 A CA 2.928 54.920 52.037 -0.075 0.000 0.659 260 A CB -1.543 17.411 19.000 -0.077 0.000 0.817 260 A HN 0.782 nan 8.150 nan 0.000 0.466 261 T N -1.626 112.925 114.554 -0.005 0.000 2.668 261 T HA -0.071 4.279 4.350 -0.000 0.000 0.262 261 T C 1.853 176.575 174.700 0.038 0.000 1.045 261 T CA 1.288 63.394 62.100 0.010 0.000 1.152 261 T CB -0.708 68.168 68.868 0.014 0.000 0.864 261 T HN 0.312 nan 8.240 nan 0.000 0.419 262 L N 1.043 122.310 121.223 0.073 0.000 1.990 262 L HA -0.145 4.195 4.340 -0.000 0.000 0.213 262 L C 3.005 179.985 176.870 0.184 0.000 1.072 262 L CA 1.382 56.297 54.840 0.125 0.000 0.755 262 L CB -1.035 41.128 42.059 0.174 0.000 0.889 262 L HN 0.165 nan 8.230 nan 0.000 0.432 263 V N -0.390 119.636 119.914 0.186 0.000 2.252 263 V HA -0.354 3.766 4.120 -0.000 0.000 0.255 263 V C 2.366 178.512 176.094 0.086 0.000 1.071 263 V CA 2.244 64.609 62.300 0.109 0.000 1.050 263 V CB -0.670 31.035 31.823 -0.197 0.000 0.654 263 V HN 0.266 nan 8.190 nan 0.000 0.448 264 V N 0.379 120.309 119.914 0.026 0.000 2.379 264 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 264 V C 2.382 178.508 176.094 0.052 0.000 1.044 264 V CA 1.994 64.312 62.300 0.031 0.000 1.036 264 V CB -0.993 30.831 31.823 0.002 0.000 0.664 264 V HN 0.664 nan 8.190 nan 0.000 0.453 265 N N 0.814 119.547 118.700 0.054 0.000 2.258 265 N HA -0.196 4.544 4.740 -0.000 0.000 0.187 265 N C 1.809 177.353 175.510 0.056 0.000 1.012 265 N CA 2.373 55.451 53.050 0.047 0.000 0.870 265 N CB 0.060 38.572 38.487 0.043 0.000 0.977 265 N HN 0.734 nan 8.380 nan 0.000 0.434 266 T N -1.330 113.277 114.554 0.089 0.000 2.990 266 T HA 0.047 4.397 4.350 -0.000 0.000 0.237 266 T C 1.488 176.243 174.700 0.091 0.000 1.009 266 T CA 0.267 62.421 62.100 0.091 0.000 1.195 266 T CB -0.651 68.295 68.868 0.131 0.000 0.885 266 T HN 0.257 nan 8.240 nan 0.000 0.424 267 M N 1.964 121.639 119.600 0.125 0.000 3.230 267 M HA 0.467 4.947 4.480 -0.000 0.000 0.270 267 M C 0.525 176.868 176.300 0.071 0.000 1.703 267 M CA 0.819 56.185 55.300 0.111 0.000 1.654 267 M CB -1.498 31.202 32.600 0.167 0.000 1.570 267 M HN 0.628 nan 8.290 nan 0.000 0.493 268 R N 0.627 121.156 120.500 0.048 0.000 3.096 268 R HA 0.103 4.443 4.340 -0.000 0.000 0.261 268 R C -0.349 175.969 176.300 0.030 0.000 0.988 268 R CA 0.778 56.896 56.100 0.030 0.000 0.661 268 R CB -3.021 27.294 30.300 0.026 0.000 1.274 268 R HN 1.672 nan 8.270 nan 0.000 0.416 269 G N -1.003 107.815 108.800 0.030 0.000 2.692 269 G HA2 0.707 4.667 3.960 -0.000 0.000 0.291 269 G HA3 0.707 4.667 3.960 -0.000 0.000 0.291 269 G C 0.931 175.842 174.900 0.019 0.000 1.423 269 G CA -0.258 44.858 45.100 0.026 0.000 0.843 269 G HN 0.548 nan 8.290 nan 0.000 0.486 270 I N -0.255 120.323 120.570 0.014 0.000 2.238 270 I HA -0.170 4.000 4.170 -0.000 0.000 0.195 270 I C 1.123 177.245 176.117 0.009 0.000 0.987 270 I CA 1.091 62.396 61.300 0.009 0.000 1.325 270 I CB -0.484 37.519 38.000 0.004 0.000 1.059 270 I HN 0.066 nan 8.210 nan 0.000 0.391 271 V N 1.985 121.902 119.914 0.005 0.000 2.585 271 V HA 0.009 4.129 4.120 -0.000 0.000 0.296 271 V C 0.175 176.273 176.094 0.006 0.000 1.035 271 V CA 0.022 62.323 62.300 0.002 0.000 1.084 271 V CB 0.484 32.302 31.823 -0.008 0.000 0.953 271 V HN 0.281 nan 8.190 nan 0.000 0.483 272 K N 4.574 124.976 120.400 0.003 0.000 2.394 272 K HA 0.700 5.020 4.320 -0.000 0.000 0.260 272 K C -0.854 175.727 176.600 -0.032 0.000 0.967 272 K CA -0.445 55.842 56.287 -0.000 0.000 0.855 272 K CB 1.558 34.063 32.500 0.009 0.000 1.101 272 K HN 0.671 nan 8.250 nan 0.000 0.433 273 V N -0.491 119.375 119.914 -0.079 0.000 3.112 273 V HA 0.991 5.111 4.120 -0.000 0.000 0.310 273 V C -1.525 174.329 176.094 -0.401 0.000 1.364 273 V CA -0.877 61.329 62.300 -0.156 0.000 1.058 273 V CB 1.460 33.224 31.823 -0.099 0.000 1.079 273 V HN 0.798 nan 8.190 nan 0.000 0.463 274 A N -0.434 122.086 122.820 -0.501 0.000 2.601 274 A HA 1.095 5.415 4.320 -0.000 0.000 0.291 274 A C -0.581 176.738 177.584 -0.443 0.000 1.075 274 A CA -0.235 51.178 52.037 -1.039 0.000 0.671 274 A CB 1.181 19.390 19.000 -1.318 0.000 1.277 274 A HN 2.764 nan 8.150 nan 0.000 0.417 275 A N -0.519 122.141 122.820 -0.267 0.000 2.566 275 A HA 0.955 5.275 4.320 -0.000 0.000 0.292 275 A C -0.760 176.936 177.584 0.187 0.000 1.112 275 A CA -0.060 51.994 52.037 0.028 0.000 0.707 275 A CB 1.390 20.426 19.000 0.060 0.000 1.302 275 A HN 2.413 nan 8.150 nan 0.000 0.409 276 V N -1.450 118.567 119.914 0.172 0.000 2.932 276 V HA 0.624 4.744 4.120 -0.000 0.000 0.307 276 V C -0.420 175.765 176.094 0.152 0.000 1.147 276 V CA -1.207 61.212 62.300 0.199 0.000 0.951 276 V CB 1.162 33.128 31.823 0.238 0.000 1.031 276 V HN 0.976 nan 8.190 nan 0.000 0.426 277 K N 1.953 122.423 120.400 0.116 0.000 2.393 277 K HA 0.482 4.802 4.320 -0.000 0.000 0.264 277 K C 0.459 177.061 176.600 0.003 0.000 0.979 277 K CA 0.719 57.040 56.287 0.057 0.000 0.893 277 K CB 0.232 32.756 32.500 0.040 0.000 0.967 277 K HN 1.189 nan 8.250 nan 0.000 0.521 278 A N 2.131 124.916 122.820 -0.059 0.000 2.303 278 A HA 0.413 4.733 4.320 -0.000 0.000 0.317 278 A C -2.198 175.228 177.584 -0.262 0.000 1.149 278 A CA -1.604 50.322 52.037 -0.184 0.000 0.822 278 A CB 0.193 19.125 19.000 -0.114 0.000 1.131 278 A HN 0.496 nan 8.150 nan 0.000 0.493 279 P HA 0.389 nan 4.420 nan 0.000 0.272 279 P C 0.532 177.736 177.300 -0.160 0.000 1.230 279 P CA 1.261 64.123 63.100 -0.398 0.000 0.788 279 P CB 0.577 31.870 31.700 -0.679 0.000 0.949 280 G N 1.263 110.046 108.800 -0.028 0.000 2.880 280 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.617 280 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.617 280 G C -0.879 174.105 174.900 0.141 0.000 1.493 280 G CA -0.263 44.861 45.100 0.039 0.000 0.916 280 G HN 0.665 nan 8.290 nan 0.000 0.553 281 F N -0.681 119.252 119.950 -0.029 0.000 2.556 281 F HA 0.826 5.353 4.527 0.000 0.000 0.314 281 F C 0.932 176.727 175.800 -0.008 0.000 1.106 281 F CA -0.228 57.761 58.000 -0.018 0.000 0.911 281 F CB 1.239 40.236 39.000 -0.005 0.000 1.190 281 F HN 2.361 nan 8.300 nan 0.000 0.448 282 G N 2.371 111.205 108.800 0.056 0.000 2.547 282 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.271 282 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.271 282 G C 0.471 175.321 174.900 -0.083 0.000 1.209 282 G CA 0.437 45.532 45.100 -0.010 0.000 0.959 282 G HN 0.789 nan 8.290 nan 0.000 0.563 283 D N 0.269 120.613 120.400 -0.093 0.000 2.203 283 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 283 D C 2.405 178.630 176.300 -0.124 0.000 0.997 283 D CA 1.710 55.656 54.000 -0.090 0.000 0.863 283 D CB -0.115 40.640 40.800 -0.076 0.000 0.928 283 D HN 0.339 nan 8.370 nan 0.000 0.458 284 R N 0.981 121.360 120.500 -0.203 0.000 2.075 284 R HA -0.119 4.221 4.340 -0.000 0.000 0.230 284 R C 2.375 178.587 176.300 -0.147 0.000 1.140 284 R CA 1.727 57.700 56.100 -0.211 0.000 0.928 284 R CB -0.459 29.640 30.300 -0.335 0.000 0.834 284 R HN 0.291 nan 8.270 nan 0.000 0.429 285 R N 0.922 121.342 120.500 -0.134 0.000 2.140 285 R HA -0.234 4.106 4.340 -0.000 0.000 0.250 285 R C 1.609 177.865 176.300 -0.074 0.000 1.150 285 R CA 1.819 57.864 56.100 -0.092 0.000 0.966 285 R CB -0.543 29.723 30.300 -0.056 0.000 0.869 285 R HN 0.040 nan 8.270 nan 0.000 0.445 286 K N 0.889 121.250 120.400 -0.064 0.000 2.013 286 K HA -0.231 4.089 4.320 -0.000 0.000 0.225 286 K C 2.305 178.877 176.600 -0.046 0.000 1.056 286 K CA 2.158 58.417 56.287 -0.047 0.000 0.971 286 K CB -0.883 31.590 32.500 -0.044 0.000 0.731 286 K HN 0.432 nan 8.250 nan 0.000 0.450 287 A N 1.737 124.524 122.820 -0.054 0.000 1.845 287 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 287 A C 2.317 179.873 177.584 -0.047 0.000 1.195 287 A CA 1.992 54.001 52.037 -0.047 0.000 0.616 287 A CB -0.472 18.496 19.000 -0.054 0.000 0.832 287 A HN 0.233 nan 8.150 nan 0.000 0.443 288 M N -1.207 118.354 119.600 -0.065 0.000 2.190 288 M HA -0.267 4.213 4.480 -0.000 0.000 0.252 288 M C 2.222 178.488 176.300 -0.056 0.000 1.076 288 M CA 2.039 57.297 55.300 -0.071 0.000 1.079 288 M CB -1.355 31.180 32.600 -0.110 0.000 1.303 288 M HN 0.488 nan 8.290 nan 0.000 0.412 289 L N 0.347 121.535 121.223 -0.059 0.000 2.093 289 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 289 L C 2.487 179.352 176.870 -0.009 0.000 1.085 289 L CA 1.888 56.707 54.840 -0.035 0.000 0.755 289 L CB -0.876 41.162 42.059 -0.035 0.000 0.904 289 L HN 0.312 nan 8.230 nan 0.000 0.435 290 Q N 0.130 119.922 119.800 -0.014 0.000 2.061 290 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 290 Q C 1.752 177.753 176.000 0.003 0.000 0.984 290 Q CA 2.400 58.200 55.803 -0.005 0.000 0.846 290 Q CB -0.494 28.238 28.738 -0.012 0.000 0.902 290 Q HN 0.601 nan 8.270 nan 0.000 0.421 291 D N -0.116 120.283 120.400 -0.000 0.000 2.133 291 D HA -0.208 4.432 4.640 -0.000 0.000 0.192 291 D C 1.820 178.136 176.300 0.025 0.000 1.001 291 D CA 1.872 55.877 54.000 0.009 0.000 0.844 291 D CB -0.297 40.509 40.800 0.009 0.000 0.944 291 D HN 0.380 nan 8.370 nan 0.000 0.447 292 I N 0.787 121.380 120.570 0.038 0.000 2.127 292 I HA -0.303 3.867 4.170 -0.000 0.000 0.241 292 I C 2.474 178.617 176.117 0.044 0.000 1.075 292 I CA 1.080 62.417 61.300 0.061 0.000 1.334 292 I CB -0.452 37.603 38.000 0.092 0.000 1.040 292 I HN -0.009 nan 8.210 nan 0.000 0.405 293 A N 1.006 123.845 122.820 0.033 0.000 1.852 293 A HA -0.316 4.004 4.320 -0.000 0.000 0.217 293 A C 2.368 179.965 177.584 0.022 0.000 1.215 293 A CA 3.210 55.264 52.037 0.027 0.000 0.641 293 A CB -1.490 17.522 19.000 0.019 0.000 0.838 293 A HN 0.429 nan 8.150 nan 0.000 0.450 294 T N -0.005 114.558 114.554 0.016 0.000 2.602 294 T HA -0.308 4.042 4.350 -0.000 0.000 0.264 294 T C 1.794 176.501 174.700 0.012 0.000 1.085 294 T CA 2.120 64.227 62.100 0.012 0.000 1.164 294 T CB -0.706 68.167 68.868 0.008 0.000 0.860 294 T HN 0.429 nan 8.240 nan 0.000 0.442 295 L N 1.478 122.710 121.223 0.016 0.000 2.046 295 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 295 L C 2.527 179.403 176.870 0.010 0.000 1.077 295 L CA 2.464 57.312 54.840 0.013 0.000 0.747 295 L CB -1.183 40.888 42.059 0.021 0.000 0.896 295 L HN 0.532 nan 8.230 nan 0.000 0.432 296 T N -3.467 111.097 114.554 0.017 0.000 3.129 296 T HA 0.284 4.634 4.350 -0.000 0.000 0.251 296 T C 1.306 176.012 174.700 0.010 0.000 1.117 296 T CA 0.224 62.330 62.100 0.011 0.000 1.034 296 T CB -0.676 68.206 68.868 0.023 0.000 0.968 296 T HN 0.685 nan 8.240 nan 0.000 0.526 297 G N 0.596 109.403 108.800 0.012 0.000 2.323 297 G HA2 0.047 4.007 3.960 -0.000 0.000 0.292 297 G HA3 0.047 4.007 3.960 -0.000 0.000 0.292 297 G C 0.268 175.182 174.900 0.024 0.000 1.040 297 G CA -0.152 44.956 45.100 0.013 0.000 0.942 297 G HN 1.055 nan 8.290 nan 0.000 0.506 298 G N -1.497 107.320 108.800 0.029 0.000 2.568 298 G HA2 0.767 4.727 3.960 -0.000 0.000 0.313 298 G HA3 0.767 4.727 3.960 -0.000 0.000 0.313 298 G C -0.313 174.606 174.900 0.032 0.000 1.227 298 G CA 0.047 45.171 45.100 0.040 0.000 0.979 298 G HN 0.531 nan 8.290 nan 0.000 0.486 299 T N 0.460 115.034 114.554 0.033 0.000 2.795 299 T HA 0.451 4.801 4.350 -0.000 0.000 0.282 299 T C 0.381 175.094 174.700 0.022 0.000 0.980 299 T CA -0.311 61.804 62.100 0.023 0.000 1.012 299 T CB 1.368 70.249 68.868 0.021 0.000 0.936 299 T HN 0.793 nan 8.240 nan 0.000 0.457 300 V N 1.591 121.515 119.914 0.016 0.000 2.406 300 V HA 0.506 4.626 4.120 -0.000 0.000 0.272 300 V C -0.232 175.867 176.094 0.009 0.000 1.043 300 V CA -0.888 61.419 62.300 0.013 0.000 0.915 300 V CB -0.087 31.740 31.823 0.007 0.000 0.988 300 V HN 0.649 nan 8.190 nan 0.000 0.466 301 I N 4.819 125.395 120.570 0.010 0.000 2.278 301 I HA 0.287 4.457 4.170 -0.000 0.000 0.296 301 I C 0.805 176.925 176.117 0.005 0.000 1.121 301 I CA 0.794 62.099 61.300 0.007 0.000 1.267 301 I CB 0.140 38.145 38.000 0.008 0.000 1.447 301 I HN 0.673 nan 8.210 nan 0.000 0.509 302 S N 5.209 120.911 115.700 0.003 0.000 2.480 302 S HA 0.287 4.757 4.470 -0.000 0.000 0.286 302 S C 1.070 175.671 174.600 0.002 0.000 1.180 302 S CA -0.708 57.493 58.200 0.002 0.000 1.075 302 S CB 1.425 64.625 63.200 -0.000 0.000 0.996 302 S HN 0.466 nan 8.310 nan 0.000 0.487 303 E N 1.986 122.187 120.200 0.002 0.000 2.299 303 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 303 E C 0.451 177.052 176.600 0.002 0.000 0.998 303 E CA 0.553 56.954 56.400 0.003 0.000 0.851 303 E CB 0.014 29.716 29.700 0.004 0.000 0.795 303 E HN 0.703 nan 8.360 nan 0.000 0.492 304 E N 0.331 120.532 120.200 0.001 0.000 2.382 304 E HA 0.072 4.422 4.350 -0.000 0.000 0.190 304 E C 0.923 177.523 176.600 -0.000 0.000 1.125 304 E CA 0.061 56.461 56.400 0.000 0.000 0.929 304 E CB 0.060 29.759 29.700 -0.001 0.000 1.053 304 E HN 0.237 nan 8.360 nan 0.000 0.475 305 I N -2.034 118.536 120.570 0.000 0.000 4.665 305 I HA 0.145 4.315 4.170 -0.000 0.000 0.360 305 I C 1.280 177.397 176.117 0.001 0.000 1.259 305 I CA -0.008 61.292 61.300 0.000 0.000 1.301 305 I CB 1.161 39.161 38.000 0.000 0.000 1.746 305 I HN 0.223 nan 8.210 nan 0.000 0.598 306 G N 2.138 110.939 108.800 0.001 0.000 2.234 306 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.260 306 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.260 306 G C 0.414 175.315 174.900 0.001 0.000 0.987 306 G CA 0.165 45.265 45.100 0.001 0.000 0.625 306 G HN 0.312 nan 8.290 nan 0.000 0.532 307 M N 1.251 120.852 119.600 0.001 0.000 2.268 307 M HA 0.436 4.916 4.480 -0.000 0.000 0.349 307 M C 0.480 176.781 176.300 0.001 0.000 1.485 307 M CA 0.596 55.897 55.300 0.001 0.000 1.094 307 M CB 0.707 33.308 32.600 0.002 0.000 1.843 307 M HN 0.345 nan 8.290 nan 0.000 0.460 308 E N 2.591 122.791 120.200 0.000 0.000 2.259 308 E HA 0.350 4.700 4.350 -0.000 0.000 0.257 308 E C 0.318 176.918 176.600 -0.000 0.000 0.998 308 E CA -0.666 55.734 56.400 0.001 0.000 0.866 308 E CB 1.335 31.035 29.700 -0.000 0.000 1.220 308 E HN 0.760 nan 8.360 nan 0.000 0.415 309 L N 0.921 122.144 121.223 -0.000 0.000 2.027 309 L HA -0.149 4.191 4.340 -0.000 0.000 0.206 309 L C 2.169 179.035 176.870 -0.007 0.000 1.074 309 L CA 1.289 56.128 54.840 -0.002 0.000 0.745 309 L CB -0.526 41.533 42.059 -0.000 0.000 0.898 309 L HN 0.635 nan 8.230 nan 0.000 0.433 310 E N 0.585 120.781 120.200 -0.006 0.000 2.160 310 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 310 E C 0.516 177.110 176.600 -0.010 0.000 0.991 310 E CA 0.983 57.377 56.400 -0.009 0.000 0.810 310 E CB -0.043 29.653 29.700 -0.007 0.000 0.742 310 E HN 0.255 nan 8.360 nan 0.000 0.466 311 K N 0.759 121.155 120.400 -0.007 0.000 2.502 311 K HA 0.350 4.670 4.320 -0.000 0.000 0.244 311 K C -1.013 175.583 176.600 -0.006 0.000 1.249 311 K CA -0.066 56.218 56.287 -0.006 0.000 1.193 311 K CB 1.105 33.603 32.500 -0.003 0.000 1.674 311 K HN 0.054 nan 8.250 nan 0.000 0.302 312 A N 0.299 123.113 122.820 -0.010 0.000 2.532 312 A HA 0.582 4.902 4.320 -0.000 0.000 0.296 312 A C -0.700 176.872 177.584 -0.020 0.000 1.058 312 A CA -0.750 51.281 52.037 -0.011 0.000 0.729 312 A CB 1.117 20.112 19.000 -0.008 0.000 1.285 312 A HN 0.235 nan 8.150 nan 0.000 0.396 313 T N 2.305 116.849 114.554 -0.017 0.000 2.924 313 T HA 0.465 4.815 4.350 -0.000 0.000 0.291 313 T C 1.351 176.038 174.700 -0.023 0.000 1.045 313 T CA -0.569 61.514 62.100 -0.028 0.000 1.015 313 T CB 1.073 69.930 68.868 -0.019 0.000 1.103 313 T HN 0.494 nan 8.240 nan 0.000 0.496 314 L N 1.306 122.499 121.223 -0.050 0.000 2.085 314 L HA -0.269 4.071 4.340 -0.000 0.000 0.218 314 L C 2.627 179.535 176.870 0.063 0.000 1.080 314 L CA 2.068 56.893 54.840 -0.025 0.000 0.776 314 L CB -1.224 40.802 42.059 -0.055 0.000 0.891 314 L HN 0.886 nan 8.230 nan 0.000 0.437 315 E N -0.767 119.460 120.200 0.044 0.000 2.284 315 E HA -0.267 4.083 4.350 -0.000 0.000 0.200 315 E C 0.904 177.533 176.600 0.047 0.000 1.008 315 E CA 1.637 58.067 56.400 0.049 0.000 0.829 315 E CB -0.498 29.220 29.700 0.029 0.000 0.744 315 E HN 0.609 nan 8.360 nan 0.000 0.491 316 D N 0.192 120.615 120.400 0.039 0.000 2.339 316 D HA 0.100 4.740 4.640 -0.000 0.000 0.217 316 D C 0.210 176.541 176.300 0.052 0.000 1.050 316 D CA 0.101 54.122 54.000 0.035 0.000 0.856 316 D CB 0.240 41.051 40.800 0.019 0.000 0.922 316 D HN 0.130 nan 8.370 nan 0.000 0.518 317 L N 0.365 121.638 121.223 0.084 0.000 2.454 317 L HA 0.480 4.820 4.340 -0.000 0.000 0.256 317 L C 1.339 178.277 176.870 0.114 0.000 1.136 317 L CA -0.392 54.520 54.840 0.119 0.000 0.804 317 L CB 0.826 43.009 42.059 0.207 0.000 1.181 317 L HN -0.158 nan 8.230 nan 0.000 0.469 318 G N -0.714 108.148 108.800 0.102 0.000 2.601 318 G HA2 0.728 4.688 3.960 -0.000 0.000 0.317 318 G HA3 0.728 4.688 3.960 -0.000 0.000 0.317 318 G C -1.333 173.588 174.900 0.035 0.000 1.246 318 G CA -0.324 44.812 45.100 0.060 0.000 1.012 318 G HN 0.462 nan 8.290 nan 0.000 0.494 319 Q N -1.602 118.188 119.800 -0.017 0.000 2.403 319 Q HA 0.552 4.892 4.340 -0.000 0.000 0.267 319 Q C -1.124 174.832 176.000 -0.073 0.000 0.991 319 Q CA -0.723 55.029 55.803 -0.085 0.000 0.906 319 Q CB 2.443 31.074 28.738 -0.178 0.000 1.422 319 Q HN 0.909 nan 8.270 nan 0.000 0.400 320 A N 1.060 123.830 122.820 -0.083 0.000 2.527 320 A HA 0.546 4.866 4.320 -0.000 0.000 0.293 320 A C -0.323 177.212 177.584 -0.081 0.000 1.117 320 A CA -0.621 51.377 52.037 -0.066 0.000 0.723 320 A CB 1.412 20.385 19.000 -0.045 0.000 1.313 320 A HN 0.716 nan 8.150 nan 0.000 0.411 321 K N -0.354 120.006 120.400 -0.067 0.000 2.228 321 K HA 0.096 4.416 4.320 -0.000 0.000 0.202 321 K C 0.602 177.168 176.600 -0.057 0.000 1.051 321 K CA 0.973 57.220 56.287 -0.066 0.000 0.960 321 K CB 0.165 32.633 32.500 -0.053 0.000 0.743 321 K HN 0.553 nan 8.250 nan 0.000 0.458 322 R N -0.805 119.664 120.500 -0.051 0.000 2.795 322 R HA 0.536 4.876 4.340 -0.000 0.000 0.268 322 R C -1.888 174.385 176.300 -0.044 0.000 1.041 322 R CA -0.810 55.264 56.100 -0.044 0.000 0.927 322 R CB 2.707 32.984 30.300 -0.039 0.000 1.235 322 R HN -0.129 nan 8.270 nan 0.000 0.463 323 V N 1.261 121.151 119.914 -0.040 0.000 2.859 323 V HA 0.387 4.507 4.120 -0.000 0.000 0.257 323 V C -1.788 174.286 176.094 -0.034 0.000 1.691 323 V CA -0.625 61.648 62.300 -0.045 0.000 0.901 323 V CB 1.809 33.607 31.823 -0.041 0.000 1.246 323 V HN 0.603 nan 8.190 nan 0.000 0.466 324 V N 4.938 124.829 119.914 -0.039 0.000 2.914 324 V HA 0.934 5.054 4.120 -0.000 0.000 0.314 324 V C -1.012 175.080 176.094 -0.002 0.000 1.084 324 V CA -0.745 61.548 62.300 -0.011 0.000 0.963 324 V CB 2.034 33.853 31.823 -0.007 0.000 1.025 324 V HN 0.799 nan 8.190 nan 0.000 0.432 325 I N 4.009 124.615 120.570 0.061 0.000 2.647 325 I HA 0.616 4.786 4.170 -0.000 0.000 0.295 325 I C -0.197 176.040 176.117 0.199 0.000 1.078 325 I CA -0.282 61.087 61.300 0.114 0.000 1.048 325 I CB 2.254 40.371 38.000 0.195 0.000 1.239 325 I HN 1.022 nan 8.210 nan 0.000 0.421 326 N N 4.010 122.801 118.700 0.152 0.000 2.966 326 N HA 0.314 5.054 4.740 -0.000 0.000 0.314 326 N C 0.597 176.103 175.510 -0.006 0.000 1.397 326 N CA -0.777 52.380 53.050 0.179 0.000 0.776 326 N CB 1.069 39.614 38.487 0.097 0.000 1.576 326 N HN 0.536 nan 8.380 nan 0.000 0.592 327 K N -0.557 119.836 120.400 -0.011 0.000 2.207 327 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 327 K C -0.497 175.885 176.600 -0.363 0.000 1.046 327 K CA 2.681 58.804 56.287 -0.273 0.000 0.929 327 K CB -0.274 32.202 32.500 -0.040 0.000 0.720 327 K HN 0.773 nan 8.250 nan 0.000 0.463 328 D N -1.919 118.378 120.400 -0.173 0.000 2.969 328 D HA 0.077 4.717 4.640 -0.000 0.000 0.317 328 D C -1.040 175.248 176.300 -0.021 0.000 1.650 328 D CA -0.417 53.520 54.000 -0.106 0.000 0.789 328 D CB 0.141 40.906 40.800 -0.059 0.000 1.277 328 D HN -0.078 nan 8.370 nan 0.000 0.463 329 T N 0.021 114.564 114.554 -0.019 0.000 3.172 329 T HA 0.509 4.859 4.350 -0.000 0.000 0.320 329 T C -0.913 173.752 174.700 -0.058 0.000 1.085 329 T CA -0.380 61.717 62.100 -0.006 0.000 1.052 329 T CB 2.072 70.936 68.868 -0.007 0.000 1.107 329 T HN -0.073 nan 8.240 nan 0.000 0.458 330 T N 2.509 116.957 114.554 -0.177 0.000 2.823 330 T HA 0.747 5.097 4.350 -0.000 0.000 0.279 330 T C -0.227 174.133 174.700 -0.567 0.000 0.998 330 T CA -0.601 61.285 62.100 -0.356 0.000 0.994 330 T CB 1.646 70.246 68.868 -0.446 0.000 0.960 330 T HN 0.654 nan 8.240 nan 0.000 0.448 331 T N 2.915 117.263 114.554 -0.344 0.000 2.952 331 T HA 0.679 5.029 4.350 -0.000 0.000 0.305 331 T C -1.043 173.545 174.700 -0.187 0.000 1.064 331 T CA -0.903 61.029 62.100 -0.281 0.000 1.008 331 T CB 0.438 69.204 68.868 -0.169 0.000 1.078 331 T HN 0.614 nan 8.240 nan 0.000 0.459 332 I N 2.556 123.032 120.570 -0.156 0.000 2.530 332 I HA 0.703 4.873 4.170 -0.000 0.000 0.297 332 I C -0.968 175.111 176.117 -0.064 0.000 1.011 332 I CA -1.415 59.831 61.300 -0.091 0.000 1.107 332 I CB 1.915 39.876 38.000 -0.064 0.000 1.285 332 I HN 0.543 nan 8.210 nan 0.000 0.436 333 I N 4.087 124.626 120.570 -0.052 0.000 2.389 333 I HA 0.327 4.497 4.170 -0.000 0.000 0.288 333 I C -0.820 175.273 176.117 -0.039 0.000 0.999 333 I CA -0.380 60.894 61.300 -0.044 0.000 1.129 333 I CB 1.387 39.361 38.000 -0.043 0.000 1.288 333 I HN 0.715 nan 8.210 nan 0.000 0.444 334 D N 5.143 125.523 120.400 -0.033 0.000 4.353 334 D HA -0.114 4.526 4.640 -0.000 0.000 0.242 334 D C -0.147 176.133 176.300 -0.033 0.000 1.063 334 D CA 0.819 54.800 54.000 -0.031 0.000 1.224 334 D CB -0.102 40.677 40.800 -0.034 0.000 0.831 334 D HN 0.832 nan 8.370 nan 0.000 0.405 335 G N 1.760 110.545 108.800 -0.024 0.000 2.338 335 G HA2 0.454 4.414 3.960 -0.000 0.000 0.298 335 G HA3 0.454 4.414 3.960 -0.000 0.000 0.298 335 G C 1.400 176.286 174.900 -0.023 0.000 1.140 335 G CA -0.349 44.739 45.100 -0.021 0.000 0.860 335 G HN 0.385 nan 8.290 nan 0.000 0.470 336 V N 2.705 122.601 119.914 -0.029 0.000 3.026 336 V HA -0.027 4.093 4.120 -0.000 0.000 0.265 336 V C 2.158 178.243 176.094 -0.016 0.000 1.121 336 V CA 0.904 63.187 62.300 -0.028 0.000 1.142 336 V CB -1.269 30.531 31.823 -0.039 0.000 0.730 336 V HN 0.796 nan 8.190 nan 0.000 0.503 337 G N 1.261 110.055 108.800 -0.009 0.000 2.224 337 G HA2 0.020 3.980 3.960 -0.000 0.000 0.239 337 G HA3 0.020 3.980 3.960 -0.000 0.000 0.239 337 G C 0.047 174.944 174.900 -0.005 0.000 1.240 337 G CA -0.242 44.856 45.100 -0.003 0.000 0.896 337 G HN 0.328 nan 8.290 nan 0.000 0.496 338 E N 2.098 122.296 120.200 -0.003 0.000 2.465 338 E HA -0.021 4.329 4.350 -0.000 0.000 0.260 338 E C 1.319 177.917 176.600 -0.003 0.000 0.980 338 E CA -0.192 56.206 56.400 -0.004 0.000 0.927 338 E CB 0.822 30.521 29.700 -0.002 0.000 0.934 338 E HN 0.560 nan 8.360 nan 0.000 0.459 339 E N 2.438 122.635 120.200 -0.005 0.000 2.130 339 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 339 E C 1.729 178.327 176.600 -0.003 0.000 0.998 339 E CA 1.451 57.848 56.400 -0.004 0.000 0.806 339 E CB -0.201 29.496 29.700 -0.005 0.000 0.738 339 E HN 0.596 nan 8.360 nan 0.000 0.459 340 A N 1.740 124.558 122.820 -0.003 0.000 1.873 340 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 340 A C 2.461 180.044 177.584 -0.002 0.000 1.193 340 A CA 2.653 54.689 52.037 -0.002 0.000 0.629 340 A CB -0.853 18.146 19.000 -0.002 0.000 0.826 340 A HN 0.305 nan 8.150 nan 0.000 0.447 341 A N -0.013 122.806 122.820 -0.001 0.000 1.834 341 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 341 A C 2.130 179.714 177.584 -0.000 0.000 1.203 341 A CA 1.615 53.652 52.037 -0.000 0.000 0.621 341 A CB -0.891 18.110 19.000 0.001 0.000 0.841 341 A HN 0.509 nan 8.150 nan 0.000 0.446 342 I N -0.323 120.247 120.570 -0.000 0.000 2.065 342 I HA -0.399 3.771 4.170 -0.000 0.000 0.236 342 I C 2.861 178.978 176.117 -0.001 0.000 1.028 342 I CA 1.921 63.221 61.300 0.000 0.000 1.299 342 I CB -0.700 37.300 38.000 -0.001 0.000 1.015 342 I HN 0.397 nan 8.210 nan 0.000 0.396 343 Q N 0.780 120.579 119.800 -0.002 0.000 2.062 343 Q HA -0.209 4.131 4.340 -0.000 0.000 0.209 343 Q C 2.320 178.318 176.000 -0.003 0.000 0.996 343 Q CA 2.095 57.896 55.803 -0.003 0.000 0.859 343 Q CB -1.362 27.374 28.738 -0.003 0.000 0.920 343 Q HN 0.698 nan 8.270 nan 0.000 0.415 344 G N 1.119 109.917 108.800 -0.003 0.000 2.529 344 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.219 344 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.219 344 G C 1.617 176.514 174.900 -0.004 0.000 1.177 344 G CA 1.326 46.424 45.100 -0.003 0.000 0.773 344 G HN 0.316 nan 8.290 nan 0.000 0.573 345 R N 0.241 120.739 120.500 -0.004 0.000 2.134 345 R HA -0.132 4.208 4.340 -0.000 0.000 0.248 345 R C 2.698 178.994 176.300 -0.006 0.000 1.143 345 R CA 1.913 58.011 56.100 -0.005 0.000 0.957 345 R CB -1.071 29.227 30.300 -0.003 0.000 0.867 345 R HN 0.253 nan 8.270 nan 0.000 0.441 346 V N 0.718 120.628 119.914 -0.005 0.000 2.250 346 V HA -0.344 3.776 4.120 -0.000 0.000 0.250 346 V C 2.407 178.497 176.094 -0.008 0.000 1.060 346 V CA 2.215 64.511 62.300 -0.006 0.000 1.030 346 V CB -1.280 30.540 31.823 -0.005 0.000 0.643 346 V HN 0.609 nan 8.190 nan 0.000 0.445 347 A N -0.655 122.161 122.820 -0.006 0.000 1.869 347 A HA -0.370 3.950 4.320 -0.000 0.000 0.218 347 A C 2.137 179.716 177.584 -0.008 0.000 1.203 347 A CA 2.560 54.593 52.037 -0.007 0.000 0.638 347 A CB -0.752 18.245 19.000 -0.005 0.000 0.831 347 A HN 0.670 nan 8.150 nan 0.000 0.450 348 Q N -0.486 119.309 119.800 -0.008 0.000 1.991 348 Q HA -0.261 4.079 4.340 -0.000 0.000 0.213 348 Q C 2.148 178.140 176.000 -0.012 0.000 1.022 348 Q CA 2.148 57.945 55.803 -0.010 0.000 0.877 348 Q CB -0.607 28.126 28.738 -0.010 0.000 0.970 348 Q HN 0.762 nan 8.270 nan 0.000 0.414 349 I N 0.311 120.872 120.570 -0.014 0.000 2.068 349 I HA -0.358 3.812 4.170 -0.000 0.000 0.238 349 I C 2.504 178.610 176.117 -0.017 0.000 1.046 349 I CA 1.193 62.481 61.300 -0.018 0.000 1.306 349 I CB -0.560 37.429 38.000 -0.019 0.000 1.023 349 I HN 0.233 nan 8.210 nan 0.000 0.399 350 R N 0.649 121.141 120.500 -0.014 0.000 2.196 350 R HA -0.320 4.020 4.340 -0.000 0.000 0.244 350 R C 2.108 178.401 176.300 -0.012 0.000 1.121 350 R CA 2.167 58.260 56.100 -0.012 0.000 0.930 350 R CB -1.326 28.969 30.300 -0.009 0.000 0.890 350 R HN 0.572 nan 8.270 nan 0.000 0.435 351 Q N 0.804 120.598 119.800 -0.011 0.000 1.967 351 Q HA -0.274 4.066 4.340 -0.000 0.000 0.210 351 Q C 2.098 178.092 176.000 -0.011 0.000 1.005 351 Q CA 2.425 58.222 55.803 -0.010 0.000 0.862 351 Q CB -0.171 28.562 28.738 -0.009 0.000 0.939 351 Q HN 0.474 nan 8.270 nan 0.000 0.417 352 Q N -0.212 119.580 119.800 -0.014 0.000 2.294 352 Q HA -0.230 4.110 4.340 -0.000 0.000 0.215 352 Q C 1.935 177.924 176.000 -0.018 0.000 1.000 352 Q CA 1.816 57.609 55.803 -0.017 0.000 0.916 352 Q CB -0.465 28.260 28.738 -0.022 0.000 0.932 352 Q HN 0.574 nan 8.270 nan 0.000 0.420 353 I N 1.080 121.639 120.570 -0.018 0.000 3.176 353 I HA -0.188 3.982 4.170 -0.000 0.000 0.275 353 I C 2.314 178.424 176.117 -0.012 0.000 1.298 353 I CA 0.659 61.948 61.300 -0.018 0.000 1.445 353 I CB -0.594 37.395 38.000 -0.018 0.000 1.075 353 I HN 0.329 nan 8.210 nan 0.000 0.482 354 E N 1.577 121.771 120.200 -0.010 0.000 2.051 354 E HA -0.275 4.075 4.350 -0.000 0.000 0.192 354 E C 1.612 178.209 176.600 -0.004 0.000 0.991 354 E CA 1.312 57.708 56.400 -0.006 0.000 0.799 354 E CB -0.321 29.375 29.700 -0.006 0.000 0.748 354 E HN 0.373 nan 8.360 nan 0.000 0.449 355 E N 1.382 121.579 120.200 -0.005 0.000 2.086 355 E HA -0.194 4.156 4.350 -0.000 0.000 0.205 355 E C 1.337 177.938 176.600 0.000 0.000 1.027 355 E CA 1.898 58.296 56.400 -0.003 0.000 0.830 355 E CB -0.592 29.106 29.700 -0.004 0.000 0.751 355 E HN 0.533 nan 8.360 nan 0.000 0.456 356 A N -0.437 122.383 122.820 -0.001 0.000 2.771 356 A HA -0.300 4.020 4.320 -0.000 0.000 0.294 356 A C 1.334 178.925 177.584 0.011 0.000 1.500 356 A CA 1.370 53.409 52.037 0.004 0.000 0.829 356 A CB -2.440 16.562 19.000 0.003 0.000 0.998 356 A HN 0.274 nan 8.150 nan 0.000 0.526 357 T N -0.584 113.978 114.554 0.012 0.000 3.155 357 T HA 0.308 4.658 4.350 -0.000 0.000 0.264 357 T C 0.589 175.307 174.700 0.031 0.000 1.160 357 T CA 1.413 63.524 62.100 0.018 0.000 1.075 357 T CB -0.295 68.582 68.868 0.016 0.000 0.921 357 T HN 1.513 nan 8.240 nan 0.000 0.533 358 S N -0.202 115.521 115.700 0.038 0.000 2.578 358 S HA 0.202 4.672 4.470 -0.000 0.000 0.285 358 S C -1.205 173.436 174.600 0.068 0.000 1.126 358 S CA -0.781 57.457 58.200 0.063 0.000 0.878 358 S CB 1.078 64.339 63.200 0.101 0.000 1.091 358 S HN 0.039 nan 8.310 nan 0.000 0.450 359 D N 1.644 122.092 120.400 0.079 0.000 2.363 359 D HA 0.124 4.764 4.640 -0.000 0.000 0.226 359 D C 0.753 177.127 176.300 0.122 0.000 1.020 359 D CA 0.583 54.628 54.000 0.075 0.000 0.892 359 D CB 0.044 40.880 40.800 0.061 0.000 0.900 359 D HN 0.524 nan 8.370 nan 0.000 0.531 360 Y N 0.712 121.012 120.300 -0.001 0.000 2.422 360 Y HA 0.063 4.613 4.550 0.000 0.000 0.291 360 Y C 1.119 177.014 175.900 -0.009 0.000 1.144 360 Y CA 0.825 58.925 58.100 -0.001 0.000 1.208 360 Y CB 0.161 38.621 38.460 0.000 0.000 1.195 360 Y HN -0.208 nan 8.280 nan 0.000 0.535 361 D N -0.036 120.371 120.400 0.012 0.000 2.144 361 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 361 D C 2.084 178.331 176.300 -0.088 0.000 0.978 361 D CA 1.228 55.176 54.000 -0.086 0.000 0.833 361 D CB -0.185 40.617 40.800 0.005 0.000 0.961 361 D HN 0.209 nan 8.370 nan 0.000 0.470 362 R N 0.522 121.001 120.500 -0.036 0.000 2.090 362 R HA -0.074 4.266 4.340 -0.000 0.000 0.228 362 R C 2.024 178.295 176.300 -0.049 0.000 1.110 362 R CA 0.986 57.067 56.100 -0.031 0.000 0.973 362 R CB 0.070 30.367 30.300 -0.005 0.000 0.869 362 R HN 0.203 nan 8.270 nan 0.000 0.440 363 E N 0.179 120.346 120.200 -0.055 0.000 2.152 363 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 363 E C 1.545 178.075 176.600 -0.117 0.000 0.983 363 E CA 1.042 57.406 56.400 -0.060 0.000 0.818 363 E CB 0.235 29.920 29.700 -0.026 0.000 0.758 363 E HN -0.003 nan 8.360 nan 0.000 0.467 364 K N 0.694 120.967 120.400 -0.213 0.000 1.973 364 K HA -0.046 4.274 4.320 -0.000 0.000 0.210 364 K C 2.139 178.651 176.600 -0.146 0.000 1.045 364 K CA 1.112 57.250 56.287 -0.248 0.000 0.937 364 K CB -0.524 31.735 32.500 -0.402 0.000 0.721 364 K HN 0.106 nan 8.250 nan 0.000 0.438 365 L N 0.690 121.839 121.223 -0.123 0.000 2.021 365 L HA -0.324 4.016 4.340 -0.000 0.000 0.215 365 L C 2.596 179.431 176.870 -0.059 0.000 1.074 365 L CA 1.612 56.404 54.840 -0.080 0.000 0.760 365 L CB -0.605 41.417 42.059 -0.062 0.000 0.889 365 L HN 0.319 nan 8.230 nan 0.000 0.433 366 Q N 0.679 120.446 119.800 -0.055 0.000 1.998 366 Q HA -0.273 4.067 4.340 -0.000 0.000 0.209 366 Q C 1.961 177.941 176.000 -0.032 0.000 1.002 366 Q CA 2.240 58.022 55.803 -0.037 0.000 0.858 366 Q CB -0.255 28.464 28.738 -0.032 0.000 0.932 366 Q HN 0.448 nan 8.270 nan 0.000 0.416 367 E N -0.401 119.775 120.200 -0.041 0.000 2.108 367 E HA -0.293 4.057 4.350 -0.000 0.000 0.203 367 E C 2.166 178.755 176.600 -0.019 0.000 1.022 367 E CA 1.597 57.980 56.400 -0.028 0.000 0.823 367 E CB -0.238 29.440 29.700 -0.038 0.000 0.744 367 E HN 0.308 nan 8.360 nan 0.000 0.456 368 R N 0.350 120.831 120.500 -0.032 0.000 2.073 368 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 368 R C 2.529 178.823 176.300 -0.011 0.000 1.134 368 R CA 1.359 57.447 56.100 -0.020 0.000 0.952 368 R CB -0.529 29.750 30.300 -0.034 0.000 0.850 368 R HN 0.054 nan 8.270 nan 0.000 0.433 369 V N 1.405 121.310 119.914 -0.016 0.000 2.317 369 V HA -0.339 3.781 4.120 -0.000 0.000 0.251 369 V C 2.446 178.538 176.094 -0.005 0.000 1.065 369 V CA 2.087 64.381 62.300 -0.011 0.000 1.049 369 V CB -0.954 30.860 31.823 -0.014 0.000 0.651 369 V HN 0.457 nan 8.190 nan 0.000 0.450 370 A N -0.085 122.733 122.820 -0.004 0.000 1.824 370 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 370 A C 2.262 179.850 177.584 0.007 0.000 1.209 370 A CA 1.938 53.975 52.037 0.001 0.000 0.614 370 A CB -0.672 18.330 19.000 0.002 0.000 0.852 370 A HN 0.397 nan 8.150 nan 0.000 0.447 371 K N -0.776 119.633 120.400 0.015 0.000 2.044 371 K HA -0.254 4.066 4.320 -0.000 0.000 0.224 371 K C 1.900 178.513 176.600 0.022 0.000 1.056 371 K CA 1.941 58.245 56.287 0.028 0.000 0.962 371 K CB -1.253 31.277 32.500 0.050 0.000 0.730 371 K HN 0.426 nan 8.250 nan 0.000 0.453 372 L N 0.348 121.582 121.223 0.018 0.000 2.005 372 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 372 L C 2.243 179.116 176.870 0.006 0.000 1.072 372 L CA 2.195 57.043 54.840 0.014 0.000 0.744 372 L CB -0.748 41.317 42.059 0.010 0.000 0.895 372 L HN 0.232 nan 8.230 nan 0.000 0.433 373 A N -1.171 121.651 122.820 0.002 0.000 2.021 373 A HA 0.142 4.462 4.320 -0.000 0.000 0.216 373 A C 2.256 179.839 177.584 -0.001 0.000 1.163 373 A CA 0.889 52.925 52.037 -0.001 0.000 0.676 373 A CB -1.245 17.754 19.000 -0.002 0.000 0.818 373 A HN 0.493 nan 8.150 nan 0.000 0.453 374 G N -0.236 108.564 108.800 0.000 0.000 2.446 374 G HA2 0.312 4.272 3.960 -0.000 0.000 0.217 374 G HA3 0.312 4.272 3.960 -0.000 0.000 0.217 374 G C 1.154 176.052 174.900 -0.004 0.000 1.168 374 G CA 0.835 45.934 45.100 -0.001 0.000 0.771 374 G HN 1.776 nan 8.290 nan 0.000 0.551 375 G N -2.152 106.646 108.800 -0.004 0.000 2.781 375 G HA2 0.100 4.060 3.960 -0.000 0.000 0.683 375 G HA3 0.100 4.060 3.960 -0.000 0.000 0.683 375 G C -0.794 174.098 174.900 -0.013 0.000 1.390 375 G CA -0.403 44.692 45.100 -0.008 0.000 0.850 375 G HN 1.008 nan 8.290 nan 0.000 0.557 376 V N 0.996 120.900 119.914 -0.018 0.000 2.487 376 V HA 0.754 4.874 4.120 -0.000 0.000 0.298 376 V C 0.876 176.956 176.094 -0.024 0.000 1.028 376 V CA -0.044 62.242 62.300 -0.024 0.000 0.860 376 V CB 1.294 33.098 31.823 -0.032 0.000 0.991 376 V HN 2.030 nan 8.190 nan 0.000 0.427 377 A N 4.813 127.619 122.820 -0.024 0.000 2.327 377 A HA 0.841 5.161 4.320 -0.000 0.000 0.283 377 A C -0.173 177.395 177.584 -0.027 0.000 1.127 377 A CA -0.318 51.705 52.037 -0.023 0.000 0.810 377 A CB 1.108 20.095 19.000 -0.021 0.000 1.066 377 A HN 1.426 nan 8.150 nan 0.000 0.492 378 V N 0.226 120.126 119.914 -0.025 0.000 3.074 378 V HA 0.874 4.994 4.120 -0.000 0.000 0.314 378 V C -0.519 175.561 176.094 -0.023 0.000 1.117 378 V CA -0.883 61.401 62.300 -0.026 0.000 1.014 378 V CB 1.578 33.385 31.823 -0.026 0.000 1.057 378 V HN 0.745 nan 8.190 nan 0.000 0.438 379 I N 1.107 121.663 120.570 -0.023 0.000 2.865 379 I HA 0.582 4.752 4.170 -0.000 0.000 0.302 379 I C -0.664 175.442 176.117 -0.019 0.000 1.140 379 I CA -0.828 60.460 61.300 -0.020 0.000 1.021 379 I CB 2.751 40.738 38.000 -0.021 0.000 1.233 379 I HN 0.641 nan 8.210 nan 0.000 0.427 380 K N 4.299 124.689 120.400 -0.016 0.000 2.621 380 K HA 0.388 4.708 4.320 -0.000 0.000 0.233 380 K C -1.136 175.456 176.600 -0.012 0.000 0.972 380 K CA -0.609 55.669 56.287 -0.014 0.000 0.988 380 K CB 2.060 34.552 32.500 -0.014 0.000 1.187 380 K HN 0.279 nan 8.250 nan 0.000 0.471 381 V N 2.594 122.501 119.914 -0.011 0.000 2.452 381 V HA -0.010 4.110 4.120 -0.000 0.000 0.286 381 V C 1.076 177.165 176.094 -0.008 0.000 0.995 381 V CA 0.093 62.388 62.300 -0.009 0.000 1.116 381 V CB 0.081 31.899 31.823 -0.008 0.000 0.954 381 V HN 0.820 nan 8.190 nan 0.000 0.473 382 G N 3.511 112.306 108.800 -0.008 0.000 2.476 382 G HA2 0.732 4.692 3.960 -0.000 0.000 0.286 382 G HA3 0.732 4.692 3.960 -0.000 0.000 0.286 382 G C -0.314 174.582 174.900 -0.006 0.000 1.177 382 G CA 0.208 45.304 45.100 -0.007 0.000 0.870 382 G HN 1.341 nan 8.290 nan 0.000 0.528 383 A N -0.586 122.230 122.820 -0.006 0.000 2.583 383 A HA 0.763 5.083 4.320 -0.000 0.000 0.292 383 A C 0.561 178.142 177.584 -0.005 0.000 1.045 383 A CA 0.388 52.422 52.037 -0.005 0.000 0.672 383 A CB 0.476 19.473 19.000 -0.005 0.000 1.283 383 A HN 1.798 nan 8.150 nan 0.000 0.419 384 A N 0.196 123.014 122.820 -0.004 0.000 1.823 384 A HA 0.396 4.716 4.320 -0.000 0.000 0.214 384 A C 1.532 179.113 177.584 -0.004 0.000 1.225 384 A CA 2.246 54.281 52.037 -0.004 0.000 0.604 384 A CB -0.979 18.019 19.000 -0.004 0.000 0.878 384 A HN 1.861 nan 8.150 nan 0.000 0.450 385 T N -1.490 113.062 114.554 -0.004 0.000 2.899 385 T HA 0.242 4.592 4.350 -0.000 0.000 0.284 385 T C 0.901 175.598 174.700 -0.004 0.000 1.004 385 T CA 0.268 62.365 62.100 -0.004 0.000 1.043 385 T CB 1.220 70.086 68.868 -0.003 0.000 1.013 385 T HN 0.467 nan 8.240 nan 0.000 0.518 386 E N 1.726 121.924 120.200 -0.004 0.000 2.204 386 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 386 E C 1.794 178.392 176.600 -0.004 0.000 0.989 386 E CA 0.827 57.224 56.400 -0.005 0.000 0.824 386 E CB 0.028 29.724 29.700 -0.005 0.000 0.756 386 E HN 0.573 nan 8.360 nan 0.000 0.477 387 V N 1.370 121.281 119.914 -0.004 0.000 2.216 387 V HA -0.280 3.840 4.120 -0.000 0.000 0.243 387 V C 2.465 178.557 176.094 -0.003 0.000 1.044 387 V CA 2.293 64.591 62.300 -0.003 0.000 0.995 387 V CB -0.840 30.982 31.823 -0.003 0.000 0.633 387 V HN 0.405 nan 8.190 nan 0.000 0.446 388 E N -0.373 119.825 120.200 -0.003 0.000 2.114 388 E HA -0.318 4.032 4.350 -0.000 0.000 0.199 388 E C 2.193 178.791 176.600 -0.003 0.000 1.008 388 E CA 1.975 58.373 56.400 -0.003 0.000 0.810 388 E CB -0.194 29.504 29.700 -0.003 0.000 0.739 388 E HN 0.417 nan 8.360 nan 0.000 0.456 389 M N 1.318 120.916 119.600 -0.004 0.000 2.882 389 M HA -0.242 4.238 4.480 -0.000 0.000 0.276 389 M C 1.964 178.262 176.300 -0.004 0.000 1.060 389 M CA 2.096 57.394 55.300 -0.004 0.000 1.072 389 M CB -0.703 31.895 32.600 -0.005 0.000 1.214 389 M HN 0.014 nan 8.290 nan 0.000 0.521 390 K N -0.311 120.087 120.400 -0.004 0.000 2.281 390 K HA -0.195 4.125 4.320 -0.000 0.000 0.203 390 K C 1.947 178.546 176.600 -0.001 0.000 1.046 390 K CA 1.234 57.519 56.287 -0.003 0.000 0.938 390 K CB -0.244 32.255 32.500 -0.003 0.000 0.737 390 K HN 0.426 nan 8.250 nan 0.000 0.458 391 E N 2.033 122.233 120.200 -0.001 0.000 2.015 391 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 391 E C 1.911 178.512 176.600 0.001 0.000 0.991 391 E CA 1.387 57.788 56.400 0.000 0.000 0.802 391 E CB 0.010 29.710 29.700 -0.001 0.000 0.759 391 E HN 0.165 nan 8.360 nan 0.000 0.447 392 K N 1.049 121.449 120.400 -0.000 0.000 2.034 392 K HA -0.243 4.077 4.320 -0.000 0.000 0.214 392 K C 2.364 178.964 176.600 0.000 0.000 1.051 392 K CA 2.242 58.529 56.287 -0.000 0.000 0.931 392 K CB -0.279 32.220 32.500 -0.002 0.000 0.715 392 K HN -0.022 nan 8.250 nan 0.000 0.446 393 K N 0.038 120.437 120.400 -0.001 0.000 2.144 393 K HA -0.245 4.075 4.320 -0.000 0.000 0.209 393 K C 1.834 178.436 176.600 0.003 0.000 1.047 393 K CA 1.519 57.805 56.287 -0.002 0.000 0.927 393 K CB -0.237 32.261 32.500 -0.003 0.000 0.716 393 K HN 0.315 nan 8.250 nan 0.000 0.454 394 A N 1.399 124.223 122.820 0.007 0.000 1.835 394 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 394 A C 2.074 179.670 177.584 0.020 0.000 1.199 394 A CA 1.695 53.740 52.037 0.015 0.000 0.615 394 A CB -0.639 18.369 19.000 0.013 0.000 0.838 394 A HN 0.385 nan 8.150 nan 0.000 0.444 395 R N -0.561 119.948 120.500 0.015 0.000 2.153 395 R HA -0.165 4.175 4.340 -0.000 0.000 0.252 395 R C 1.957 178.268 176.300 0.019 0.000 1.158 395 R CA 1.607 57.717 56.100 0.017 0.000 0.975 395 R CB -0.796 29.510 30.300 0.009 0.000 0.871 395 R HN 0.432 nan 8.270 nan 0.000 0.450 396 V N 1.067 120.987 119.914 0.010 0.000 2.237 396 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 396 V C 1.968 178.063 176.094 0.001 0.000 1.046 396 V CA 2.113 64.415 62.300 0.002 0.000 1.007 396 V CB -0.551 31.269 31.823 -0.006 0.000 0.638 396 V HN 0.375 nan 8.190 nan 0.000 0.445 397 E N 0.077 120.278 120.200 0.001 0.000 2.171 397 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 397 E C 1.858 178.483 176.600 0.043 0.000 0.997 397 E CA 1.500 57.892 56.400 -0.013 0.000 0.810 397 E CB -0.248 29.456 29.700 0.005 0.000 0.738 397 E HN 0.638 nan 8.360 nan 0.000 0.467 398 D N 0.664 121.119 120.400 0.092 0.000 2.088 398 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 398 D C 2.004 178.381 176.300 0.127 0.000 0.983 398 D CA 1.554 55.643 54.000 0.148 0.000 0.846 398 D CB -0.715 40.132 40.800 0.078 0.000 0.992 398 D HN 0.155 nan 8.370 nan 0.000 0.448 399 A N 1.273 124.131 122.820 0.062 0.000 1.894 399 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 399 A C 2.354 179.961 177.584 0.039 0.000 1.237 399 A CA 2.161 54.224 52.037 0.043 0.000 0.660 399 A CB -1.313 17.699 19.000 0.020 0.000 0.835 399 A HN 0.365 nan 8.150 nan 0.000 0.461 400 L N -1.464 119.761 121.223 0.003 0.000 2.034 400 L HA -0.335 4.005 4.340 -0.000 0.000 0.217 400 L C 2.596 179.451 176.870 -0.024 0.000 1.077 400 L CA 2.434 57.252 54.840 -0.038 0.000 0.769 400 L CB -0.539 41.461 42.059 -0.097 0.000 0.890 400 L HN 0.586 nan 8.230 nan 0.000 0.435 401 H N -0.182 118.890 119.070 0.004 0.000 2.650 401 H HA -0.241 4.315 4.556 0.000 0.000 0.297 401 H C 2.180 177.511 175.328 0.006 0.000 1.038 401 H CA 1.799 57.851 56.048 0.006 0.000 1.103 401 H CB -0.830 28.936 29.762 0.008 0.000 1.451 401 H HN 0.559 nan 8.280 nan 0.000 0.680 402 A N 0.322 123.248 122.820 0.177 0.000 1.957 402 A HA -0.325 3.995 4.320 -0.000 0.000 0.224 402 A C 2.685 180.304 177.584 0.059 0.000 1.287 402 A CA 3.306 55.394 52.037 0.085 0.000 0.682 402 A CB -1.422 17.612 19.000 0.057 0.000 0.833 402 A HN 0.621 nan 8.150 nan 0.000 0.482 403 T N -0.711 113.872 114.554 0.049 0.000 2.622 403 T HA -0.193 4.157 4.350 -0.000 0.000 0.266 403 T C 2.012 176.728 174.700 0.027 0.000 1.047 403 T CA 1.608 63.724 62.100 0.028 0.000 1.159 403 T CB -0.298 68.579 68.868 0.015 0.000 0.863 403 T HN 0.579 nan 8.240 nan 0.000 0.422 404 R N 0.883 121.400 120.500 0.028 0.000 2.103 404 R HA -0.109 4.231 4.340 -0.000 0.000 0.242 404 R C 2.809 179.130 176.300 0.035 0.000 1.142 404 R CA 1.475 57.590 56.100 0.025 0.000 0.960 404 R CB -0.596 29.718 30.300 0.023 0.000 0.858 404 R HN 0.410 nan 8.270 nan 0.000 0.439 405 A N 1.156 124.006 122.820 0.050 0.000 1.858 405 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 405 A C 2.416 180.017 177.584 0.028 0.000 1.190 405 A CA 1.700 53.763 52.037 0.043 0.000 0.617 405 A CB -0.845 18.185 19.000 0.050 0.000 0.827 405 A HN 0.415 nan 8.150 nan 0.000 0.443 406 A N -0.504 122.332 122.820 0.027 0.000 1.927 406 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 406 A C 2.266 179.860 177.584 0.016 0.000 1.185 406 A CA 2.183 54.232 52.037 0.020 0.000 0.639 406 A CB -1.135 17.876 19.000 0.019 0.000 0.820 406 A HN 0.441 nan 8.150 nan 0.000 0.451 407 V N 0.049 119.973 119.914 0.017 0.000 2.223 407 V HA -0.307 3.813 4.120 -0.000 0.000 0.244 407 V C 2.413 178.515 176.094 0.013 0.000 1.045 407 V CA 2.356 64.664 62.300 0.013 0.000 1.000 407 V CB -1.106 30.725 31.823 0.012 0.000 0.635 407 V HN 0.676 nan 8.190 nan 0.000 0.445 408 E N 0.231 120.441 120.200 0.016 0.000 2.048 408 E HA -0.268 4.082 4.350 -0.000 0.000 0.202 408 E C 1.623 178.230 176.600 0.012 0.000 1.021 408 E CA 1.921 58.331 56.400 0.015 0.000 0.825 408 E CB -0.163 29.549 29.700 0.019 0.000 0.756 408 E HN 0.710 nan 8.360 nan 0.000 0.454 409 E N -0.372 119.835 120.200 0.012 0.000 2.693 409 E HA 0.261 4.611 4.350 -0.000 0.000 0.214 409 E C 0.380 176.985 176.600 0.008 0.000 0.990 409 E CA 0.102 56.506 56.400 0.008 0.000 1.047 409 E CB 1.347 31.050 29.700 0.004 0.000 1.039 409 E HN 0.275 nan 8.360 nan 0.000 0.475 410 G N 1.407 110.214 108.800 0.010 0.000 2.698 410 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.233 410 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.233 410 G C -0.132 174.774 174.900 0.011 0.000 1.352 410 G CA -0.282 44.825 45.100 0.011 0.000 0.879 410 G HN 0.569 nan 8.290 nan 0.000 0.567 411 V N -2.889 117.031 119.914 0.011 0.000 3.181 411 V HA 1.014 5.134 4.120 -0.000 0.000 0.308 411 V C 0.414 176.515 176.094 0.011 0.000 1.214 411 V CA 0.563 62.869 62.300 0.011 0.000 1.053 411 V CB 1.439 33.268 31.823 0.011 0.000 1.069 411 V HN 2.631 nan 8.190 nan 0.000 0.441 412 V N -1.883 118.037 119.914 0.010 0.000 3.181 412 V HA 1.005 5.125 4.120 -0.000 0.000 0.307 412 V C 0.344 176.443 176.094 0.009 0.000 1.310 412 V CA -0.759 61.548 62.300 0.012 0.000 1.067 412 V CB 1.056 32.886 31.823 0.011 0.000 1.081 412 V HN 2.499 nan 8.190 nan 0.000 0.453 413 A N 0.216 123.044 122.820 0.012 0.000 2.567 413 A HA 0.519 4.839 4.320 -0.000 0.000 0.240 413 A C 1.236 178.818 177.584 -0.003 0.000 1.053 413 A CA 0.610 52.651 52.037 0.006 0.000 0.755 413 A CB -0.193 18.814 19.000 0.011 0.000 0.978 413 A HN 2.202 nan 8.150 nan 0.000 0.507 414 G N 1.533 110.325 108.800 -0.013 0.000 3.233 414 G HA2 0.333 4.293 3.960 -0.000 0.000 0.234 414 G HA3 0.333 4.293 3.960 -0.000 0.000 0.234 414 G C 0.791 175.675 174.900 -0.027 0.000 1.137 414 G CA 0.676 45.765 45.100 -0.017 0.000 0.763 414 G HN 1.164 nan 8.290 nan 0.000 0.549 415 G N -0.129 108.649 108.800 -0.036 0.000 3.379 415 G HA2 0.406 4.366 3.960 -0.000 0.000 0.253 415 G HA3 0.406 4.366 3.960 -0.000 0.000 0.253 415 G C 1.222 176.110 174.900 -0.020 0.000 1.262 415 G CA 0.242 45.315 45.100 -0.045 0.000 0.959 415 G HN 1.165 nan 8.290 nan 0.000 0.524 416 G N -1.044 107.750 108.800 -0.010 0.000 2.176 416 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.253 416 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.253 416 G C 1.348 176.252 174.900 0.006 0.000 0.979 416 G CA 0.553 45.653 45.100 0.001 0.000 0.641 416 G HN 0.614 nan 8.290 nan 0.000 0.530 417 V N 1.161 121.076 119.914 0.001 0.000 2.231 417 V HA -0.080 4.040 4.120 -0.000 0.000 0.248 417 V C 3.356 179.459 176.094 0.015 0.000 1.054 417 V CA 3.272 65.576 62.300 0.007 0.000 1.015 417 V CB -1.675 30.145 31.823 -0.005 0.000 0.638 417 V HN 1.318 nan 8.190 nan 0.000 0.444 418 A N 0.432 123.259 122.820 0.012 0.000 1.909 418 A HA -0.262 4.058 4.320 -0.000 0.000 0.221 418 A C 2.224 179.818 177.584 0.017 0.000 1.223 418 A CA 2.581 54.627 52.037 0.015 0.000 0.658 418 A CB -0.809 18.197 19.000 0.010 0.000 0.831 418 A HN 0.436 nan 8.150 nan 0.000 0.462 419 L N -0.671 120.560 121.223 0.014 0.000 1.989 419 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 419 L C 2.662 179.543 176.870 0.018 0.000 1.071 419 L CA 1.613 56.462 54.840 0.014 0.000 0.749 419 L CB -1.389 40.677 42.059 0.012 0.000 0.890 419 L HN 0.352 nan 8.230 nan 0.000 0.431 420 I N -0.117 120.465 120.570 0.021 0.000 2.113 420 I HA -0.349 3.821 4.170 -0.000 0.000 0.242 420 I C 2.754 178.889 176.117 0.030 0.000 1.064 420 I CA 1.396 62.711 61.300 0.026 0.000 1.320 420 I CB -0.994 37.025 38.000 0.031 0.000 1.028 420 I HN 0.305 nan 8.210 nan 0.000 0.406 421 R N 1.329 121.849 120.500 0.034 0.000 2.171 421 R HA -0.204 4.136 4.340 -0.000 0.000 0.226 421 R C 2.394 178.712 176.300 0.030 0.000 1.113 421 R CA 3.001 59.124 56.100 0.039 0.000 0.887 421 R CB -1.079 29.245 30.300 0.041 0.000 0.830 421 R HN 0.320 nan 8.270 nan 0.000 0.432 422 V N -1.009 118.920 119.914 0.024 0.000 2.311 422 V HA -0.311 3.809 4.120 -0.000 0.000 0.256 422 V C 2.184 178.288 176.094 0.017 0.000 1.077 422 V CA 2.318 64.629 62.300 0.018 0.000 1.067 422 V CB -1.726 30.105 31.823 0.014 0.000 0.659 422 V HN 0.521 nan 8.190 nan 0.000 0.451 423 A N 1.709 124.540 122.820 0.018 0.000 1.851 423 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 423 A C 2.667 180.261 177.584 0.017 0.000 1.195 423 A CA 3.459 55.506 52.037 0.016 0.000 0.622 423 A CB -1.414 17.596 19.000 0.016 0.000 0.831 423 A HN 1.179 nan 8.150 nan 0.000 0.444 424 S N -0.314 115.399 115.700 0.021 0.000 2.420 424 S HA -0.219 4.251 4.470 -0.000 0.000 0.237 424 S C 1.862 176.474 174.600 0.019 0.000 1.023 424 S CA 1.464 59.677 58.200 0.021 0.000 0.991 424 S CB -0.323 62.894 63.200 0.028 0.000 0.792 424 S HN 0.453 nan 8.310 nan 0.000 0.488 425 K N 2.275 122.686 120.400 0.020 0.000 1.968 425 K HA -0.003 4.317 4.320 -0.000 0.000 0.222 425 K C 1.517 178.125 176.600 0.013 0.000 1.043 425 K CA 1.298 57.595 56.287 0.017 0.000 0.991 425 K CB -1.294 31.215 32.500 0.017 0.000 0.744 425 K HN 0.684 nan 8.250 nan 0.000 0.445 426 L N 0.081 121.311 121.223 0.011 0.000 2.436 426 L HA 0.255 4.595 4.340 -0.000 0.000 0.244 426 L C 0.971 177.847 176.870 0.009 0.000 1.396 426 L CA -0.169 54.676 54.840 0.009 0.000 1.217 426 L CB -0.354 41.709 42.059 0.008 0.000 1.420 426 L HN 0.022 nan 8.230 nan 0.000 0.434 427 A N -0.126 122.700 122.820 0.009 0.000 2.238 427 A HA 0.070 4.390 4.320 -0.000 0.000 0.210 427 A C 1.585 179.174 177.584 0.007 0.000 1.179 427 A CA 0.194 52.236 52.037 0.009 0.000 0.827 427 A CB -0.006 19.000 19.000 0.010 0.000 0.856 427 A HN 0.627 nan 8.150 nan 0.000 0.488 428 D N -0.794 119.610 120.400 0.006 0.000 2.338 428 D HA 0.039 4.679 4.640 -0.000 0.000 0.224 428 D C 0.569 176.872 176.300 0.005 0.000 0.967 428 D CA -0.052 53.951 54.000 0.005 0.000 0.896 428 D CB -0.258 40.545 40.800 0.005 0.000 1.028 428 D HN 0.273 nan 8.370 nan 0.000 0.493 429 L N 2.926 124.152 121.223 0.005 0.000 3.544 429 L HA -0.223 4.117 4.340 -0.000 0.000 0.404 429 L C 0.071 176.943 176.870 0.004 0.000 1.080 429 L CA 0.811 55.653 54.840 0.004 0.000 0.763 429 L CB -0.120 41.942 42.059 0.005 0.000 1.168 429 L HN -0.066 nan 8.230 nan 0.000 0.723 430 R N 3.695 124.197 120.500 0.004 0.000 2.902 430 R HA 0.863 5.203 4.340 -0.000 0.000 0.258 430 R C 0.067 176.369 176.300 0.003 0.000 1.071 430 R CA -0.302 55.800 56.100 0.003 0.000 1.024 430 R CB 1.427 31.729 30.300 0.003 0.000 1.184 430 R HN 0.773 nan 8.270 nan 0.000 0.492 431 G N -0.116 108.686 108.800 0.003 0.000 2.630 431 G HA2 0.372 4.332 3.960 -0.000 0.000 0.296 431 G HA3 0.372 4.332 3.960 -0.000 0.000 0.296 431 G C -0.197 174.705 174.900 0.003 0.000 1.285 431 G CA -0.371 44.731 45.100 0.003 0.000 0.958 431 G HN 0.263 nan 8.290 nan 0.000 0.479 432 Q N 0.222 120.024 119.800 0.003 0.000 1.856 432 Q HA -0.051 4.289 4.340 -0.000 0.000 0.228 432 Q C 1.427 177.428 176.000 0.003 0.000 0.987 432 Q CA 0.938 56.743 55.803 0.002 0.000 0.873 432 Q CB -0.544 28.195 28.738 0.002 0.000 0.928 432 Q HN 0.686 nan 8.270 nan 0.000 0.425 433 N N 0.938 119.640 118.700 0.003 0.000 2.407 433 N HA -0.119 4.621 4.740 -0.000 0.000 0.250 433 N C 0.730 176.241 175.510 0.003 0.000 1.236 433 N CA -0.000 53.051 53.050 0.003 0.000 0.879 433 N CB 0.471 38.959 38.487 0.003 0.000 1.088 433 N HN 0.339 nan 8.380 nan 0.000 0.450 434 E N 2.332 122.534 120.200 0.003 0.000 2.160 434 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 434 E C 0.296 176.898 176.600 0.003 0.000 0.991 434 E CA 1.251 57.653 56.400 0.003 0.000 0.810 434 E CB 0.127 29.829 29.700 0.002 0.000 0.742 434 E HN 0.631 nan 8.360 nan 0.000 0.466 435 D N 0.306 120.708 120.400 0.003 0.000 2.351 435 D HA -0.135 4.505 4.640 -0.000 0.000 0.216 435 D C 1.544 177.847 176.300 0.004 0.000 0.968 435 D CA 0.802 54.804 54.000 0.003 0.000 0.899 435 D CB 0.065 40.867 40.800 0.003 0.000 0.907 435 D HN 0.464 nan 8.370 nan 0.000 0.514 436 Q N -0.269 119.533 119.800 0.004 0.000 2.297 436 Q HA 0.032 4.372 4.340 -0.000 0.000 0.203 436 Q C 1.697 177.700 176.000 0.004 0.000 0.931 436 Q CA 0.139 55.944 55.803 0.004 0.000 0.885 436 Q CB 0.224 28.964 28.738 0.004 0.000 0.991 436 Q HN 0.191 nan 8.270 nan 0.000 0.498 437 N N 0.793 119.495 118.700 0.004 0.000 2.039 437 N HA -0.136 4.604 4.740 -0.000 0.000 0.193 437 N C 2.055 177.567 175.510 0.004 0.000 1.044 437 N CA 1.470 54.522 53.050 0.004 0.000 0.847 437 N CB -0.446 38.043 38.487 0.004 0.000 1.030 437 N HN 0.037 nan 8.380 nan 0.000 0.422 438 V N 1.355 121.272 119.914 0.004 0.000 2.282 438 V HA -0.216 3.904 4.120 -0.000 0.000 0.249 438 V C 2.592 178.689 176.094 0.005 0.000 1.057 438 V CA 2.126 64.429 62.300 0.004 0.000 1.032 438 V CB -1.581 30.245 31.823 0.004 0.000 0.645 438 V HN 0.358 nan 8.190 nan 0.000 0.447 439 G N 0.301 109.104 108.800 0.005 0.000 2.513 439 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 439 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 439 G C 1.530 176.433 174.900 0.006 0.000 1.160 439 G CA 1.534 46.637 45.100 0.006 0.000 0.767 439 G HN 0.540 nan 8.290 nan 0.000 0.571 440 I N 0.092 120.665 120.570 0.006 0.000 2.202 440 I HA -0.109 4.061 4.170 -0.000 0.000 0.242 440 I C 2.780 178.901 176.117 0.006 0.000 1.091 440 I CA 1.262 62.565 61.300 0.006 0.000 1.368 440 I CB -0.276 37.727 38.000 0.005 0.000 1.058 440 I HN 0.021 nan 8.210 nan 0.000 0.410 441 K N 1.096 121.499 120.400 0.006 0.000 1.988 441 K HA -0.178 4.142 4.320 -0.000 0.000 0.221 441 K C 1.955 178.560 176.600 0.007 0.000 1.053 441 K CA 1.700 57.991 56.287 0.006 0.000 0.959 441 K CB -1.029 31.474 32.500 0.006 0.000 0.728 441 K HN 0.048 nan 8.250 nan 0.000 0.447 442 V N 1.093 121.011 119.914 0.007 0.000 2.233 442 V HA -0.413 3.707 4.120 -0.000 0.000 0.256 442 V C 2.211 178.310 176.094 0.009 0.000 1.069 442 V CA 2.431 64.735 62.300 0.008 0.000 1.054 442 V CB -1.206 30.621 31.823 0.007 0.000 0.664 442 V HN 0.542 nan 8.190 nan 0.000 0.453 443 A N -0.361 122.464 122.820 0.009 0.000 1.870 443 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 443 A C 2.190 179.780 177.584 0.010 0.000 1.224 443 A CA 2.682 54.725 52.037 0.009 0.000 0.650 443 A CB -0.822 18.183 19.000 0.008 0.000 0.836 443 A HN 0.512 nan 8.150 nan 0.000 0.454 444 L N -1.347 119.881 121.223 0.009 0.000 1.956 444 L HA -0.264 4.076 4.340 -0.000 0.000 0.216 444 L C 2.850 179.726 176.870 0.011 0.000 1.073 444 L CA 2.184 57.030 54.840 0.010 0.000 0.762 444 L CB -0.598 41.467 42.059 0.009 0.000 0.889 444 L HN 0.531 nan 8.230 nan 0.000 0.433 445 R N 0.177 120.683 120.500 0.010 0.000 2.185 445 R HA -0.225 4.115 4.340 -0.000 0.000 0.247 445 R C 2.122 178.429 176.300 0.011 0.000 1.159 445 R CA 1.457 57.563 56.100 0.010 0.000 0.988 445 R CB -0.227 30.078 30.300 0.009 0.000 0.871 445 R HN 0.434 nan 8.270 nan 0.000 0.458 446 A N 0.490 123.316 122.820 0.011 0.000 2.015 446 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 446 A C 2.010 179.602 177.584 0.013 0.000 1.163 446 A CA 1.191 53.235 52.037 0.012 0.000 0.646 446 A CB -0.278 18.729 19.000 0.012 0.000 0.806 446 A HN 0.377 nan 8.150 nan 0.000 0.448 447 M N -0.713 118.894 119.600 0.013 0.000 2.557 447 M HA -0.047 4.433 4.480 -0.000 0.000 0.259 447 M C 1.386 177.695 176.300 0.014 0.000 1.086 447 M CA 0.861 56.169 55.300 0.013 0.000 1.096 447 M CB -0.263 32.345 32.600 0.013 0.000 1.424 447 M HN 0.415 nan 8.290 nan 0.000 0.488 448 E N 0.838 121.047 120.200 0.015 0.000 2.371 448 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 448 E C 2.120 178.729 176.600 0.016 0.000 1.012 448 E CA 0.470 56.880 56.400 0.016 0.000 0.860 448 E CB 0.038 29.748 29.700 0.016 0.000 0.811 448 E HN 0.503 nan 8.360 nan 0.000 0.502 449 A N 2.445 125.273 122.820 0.014 0.000 1.863 449 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 449 A C -0.334 177.258 177.584 0.013 0.000 1.233 449 A CA 1.730 53.775 52.037 0.013 0.000 0.655 449 A CB -1.750 17.257 19.000 0.012 0.000 0.839 449 A HN 0.130 nan 8.150 nan 0.000 0.454 450 P HA -0.206 nan 4.420 nan 0.000 0.214 450 P C 1.798 179.105 177.300 0.012 0.000 1.172 450 P CA 1.481 64.587 63.100 0.010 0.000 0.925 450 P CB -0.162 31.543 31.700 0.009 0.000 0.793 451 L N -0.292 120.941 121.223 0.016 0.000 1.963 451 L HA -0.231 4.109 4.340 -0.000 0.000 0.220 451 L C 2.389 179.278 176.870 0.032 0.000 1.076 451 L CA 2.039 56.894 54.840 0.026 0.000 0.772 451 L CB -1.105 40.974 42.059 0.033 0.000 0.892 451 L HN -0.203 nan 8.230 nan 0.000 0.435 452 R N -1.061 119.455 120.500 0.026 0.000 2.119 452 R HA -0.280 4.060 4.340 -0.000 0.000 0.246 452 R C 2.348 178.661 176.300 0.022 0.000 1.146 452 R CA 1.890 58.004 56.100 0.023 0.000 0.962 452 R CB -0.496 29.815 30.300 0.017 0.000 0.863 452 R HN 0.512 nan 8.270 nan 0.000 0.442 453 Q N 0.698 120.508 119.800 0.017 0.000 2.079 453 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 453 Q C 1.852 177.861 176.000 0.014 0.000 0.974 453 Q CA 1.488 57.299 55.803 0.014 0.000 0.840 453 Q CB -0.024 28.720 28.738 0.010 0.000 0.898 453 Q HN 0.218 nan 8.270 nan 0.000 0.430 454 I N -0.242 120.337 120.570 0.015 0.000 2.076 454 I HA -0.250 3.920 4.170 -0.000 0.000 0.237 454 I C 2.267 178.400 176.117 0.028 0.000 1.059 454 I CA 1.025 62.331 61.300 0.011 0.000 1.317 454 I CB -1.569 36.432 38.000 0.002 0.000 1.037 454 I HN 0.095 nan 8.210 nan 0.000 0.398 455 V N 1.181 121.129 119.914 0.057 0.000 2.250 455 V HA -0.323 3.797 4.120 -0.000 0.000 0.253 455 V C 2.650 178.774 176.094 0.050 0.000 1.065 455 V CA 2.157 64.509 62.300 0.087 0.000 1.039 455 V CB -0.883 30.985 31.823 0.075 0.000 0.647 455 V HN 0.358 nan 8.190 nan 0.000 0.446 456 L N 0.991 122.233 121.223 0.032 0.000 1.971 456 L HA -0.204 4.136 4.340 -0.000 0.000 0.215 456 L C 2.193 179.073 176.870 0.018 0.000 1.072 456 L CA 2.249 57.102 54.840 0.021 0.000 0.758 456 L CB -1.170 40.898 42.059 0.015 0.000 0.889 456 L HN 0.361 nan 8.230 nan 0.000 0.433 457 N N -0.997 117.711 118.700 0.014 0.000 2.348 457 N HA -0.171 4.569 4.740 -0.000 0.000 0.185 457 N C 1.593 177.108 175.510 0.008 0.000 1.019 457 N CA 1.550 54.605 53.050 0.008 0.000 0.880 457 N CB -0.749 37.739 38.487 0.002 0.000 0.965 457 N HN 0.462 nan 8.380 nan 0.000 0.437 458 C N -0.869 118.440 119.300 0.016 0.000 2.697 458 C HA 0.364 4.824 4.460 -0.000 0.000 0.267 458 C C 1.643 176.647 174.990 0.024 0.000 1.278 458 C CA 0.043 59.071 59.018 0.017 0.000 1.708 458 C CB -0.946 26.808 27.740 0.024 0.000 1.860 458 C HN 0.588 nan 8.230 nan 0.000 0.589 459 G N 1.281 110.095 108.800 0.022 0.000 2.143 459 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.248 459 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.248 459 G C -0.225 174.690 174.900 0.025 0.000 0.991 459 G CA 0.170 45.282 45.100 0.020 0.000 0.689 459 G HN 0.525 nan 8.290 nan 0.000 0.522 460 E N 0.170 120.392 120.200 0.036 0.000 2.239 460 E HA 0.395 4.745 4.350 -0.000 0.000 0.261 460 E C 0.109 176.717 176.600 0.014 0.000 1.016 460 E CA -0.847 55.573 56.400 0.033 0.000 0.882 460 E CB 0.639 30.379 29.700 0.066 0.000 1.190 460 E HN 0.228 nan 8.360 nan 0.000 0.415 461 E N 2.156 122.353 120.200 -0.006 0.000 2.292 461 E HA 0.050 4.400 4.350 -0.000 0.000 0.265 461 E C -1.735 174.853 176.600 -0.019 0.000 1.093 461 E CA -1.413 54.979 56.400 -0.013 0.000 0.922 461 E CB 0.632 30.320 29.700 -0.020 0.000 1.001 461 E HN 0.188 nan 8.360 nan 0.000 0.444 462 P HA -0.182 nan 4.420 nan 0.000 0.210 462 P C 1.553 178.849 177.300 -0.006 0.000 1.191 462 P CA 1.623 64.724 63.100 0.000 0.000 0.917 462 P CB 0.054 31.758 31.700 0.008 0.000 0.778 463 S N -0.503 115.195 115.700 -0.003 0.000 2.393 463 S HA -0.224 4.246 4.470 -0.000 0.000 0.234 463 S C 2.030 176.625 174.600 -0.007 0.000 1.064 463 S CA 2.227 60.426 58.200 -0.002 0.000 1.088 463 S CB -2.032 61.167 63.200 -0.002 0.000 0.939 463 S HN -0.068 nan 8.310 nan 0.000 0.448 464 V N 1.709 121.613 119.914 -0.016 0.000 2.237 464 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 464 V C 2.707 178.784 176.094 -0.027 0.000 1.046 464 V CA 1.773 64.059 62.300 -0.023 0.000 1.007 464 V CB -0.960 30.845 31.823 -0.029 0.000 0.638 464 V HN 0.477 nan 8.190 nan 0.000 0.445 465 V N 0.336 120.211 119.914 -0.065 0.000 2.231 465 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 465 V C 2.758 178.856 176.094 0.007 0.000 1.054 465 V CA 2.314 64.556 62.300 -0.096 0.000 1.015 465 V CB -1.358 30.314 31.823 -0.253 0.000 0.638 465 V HN 0.580 nan 8.190 nan 0.000 0.444 466 A N 0.600 123.424 122.820 0.006 0.000 1.881 466 A HA -0.414 3.906 4.320 -0.000 0.000 0.219 466 A C 2.030 179.633 177.584 0.033 0.000 1.215 466 A CA 2.938 54.991 52.037 0.027 0.000 0.648 466 A CB -1.174 17.837 19.000 0.019 0.000 0.832 466 A HN 0.720 nan 8.150 nan 0.000 0.455 467 N N -0.220 118.492 118.700 0.019 0.000 2.005 467 N HA -0.241 4.499 4.740 -0.000 0.000 0.199 467 N C 1.826 177.351 175.510 0.024 0.000 1.054 467 N CA 4.036 57.096 53.050 0.016 0.000 0.864 467 N CB -0.919 37.569 38.487 0.001 0.000 1.063 467 N HN 0.563 nan 8.380 nan 0.000 0.428 468 T N -2.190 112.369 114.554 0.010 0.000 2.869 468 T HA -0.118 4.232 4.350 -0.000 0.000 0.270 468 T C 1.919 176.661 174.700 0.069 0.000 1.082 468 T CA 1.670 63.762 62.100 -0.013 0.000 1.123 468 T CB -0.882 67.891 68.868 -0.158 0.000 0.856 468 T HN 0.081 nan 8.240 nan 0.000 0.499 469 V N 1.368 121.342 119.914 0.100 0.000 2.548 469 V HA -0.053 4.067 4.120 -0.000 0.000 0.249 469 V C 2.828 178.991 176.094 0.115 0.000 1.055 469 V CA 1.311 63.674 62.300 0.105 0.000 1.065 469 V CB -0.428 31.443 31.823 0.080 0.000 0.681 469 V HN 0.435 nan 8.190 nan 0.000 0.462 470 K N 0.903 121.352 120.400 0.083 0.000 2.057 470 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 470 K C 2.283 178.932 176.600 0.081 0.000 1.049 470 K CA 1.453 57.782 56.287 0.070 0.000 0.931 470 K CB -1.062 31.464 32.500 0.044 0.000 0.714 470 K HN 0.497 nan 8.250 nan 0.000 0.440 471 G N 1.708 110.556 108.800 0.079 0.000 2.628 471 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 471 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 471 G C 1.078 176.027 174.900 0.081 0.000 1.240 471 G CA 1.367 46.504 45.100 0.062 0.000 0.792 471 G HN 0.462 nan 8.290 nan 0.000 0.593 472 G N -0.648 108.260 108.800 0.180 0.000 2.597 472 G HA2 0.391 4.351 3.960 -0.000 0.000 0.283 472 G HA3 0.391 4.351 3.960 -0.000 0.000 0.283 472 G C -0.342 174.652 174.900 0.156 0.000 1.319 472 G CA 0.364 45.566 45.100 0.170 0.000 1.054 472 G HN 0.400 nan 8.290 nan 0.000 0.583 473 D N -2.278 118.205 120.400 0.140 0.000 2.744 473 D HA 0.508 5.148 4.640 -0.000 0.000 0.304 473 D C 0.818 177.196 176.300 0.131 0.000 1.179 473 D CA 0.525 54.588 54.000 0.105 0.000 1.024 473 D CB 1.145 41.972 40.800 0.045 0.000 1.453 473 D HN 0.961 nan 8.370 nan 0.000 0.529 474 G N 0.963 109.816 108.800 0.089 0.000 2.582 474 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.288 474 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.288 474 G C 0.183 175.146 174.900 0.104 0.000 1.247 474 G CA 0.064 45.215 45.100 0.084 0.000 0.972 474 G HN 0.545 nan 8.290 nan 0.000 0.557 475 N N 0.551 119.314 118.700 0.105 0.000 2.389 475 N HA 0.156 4.896 4.740 -0.000 0.000 0.237 475 N C -0.203 175.391 175.510 0.141 0.000 1.148 475 N CA 0.134 53.241 53.050 0.095 0.000 0.854 475 N CB 0.201 38.727 38.487 0.066 0.000 1.115 475 N HN 0.476 nan 8.380 nan 0.000 0.492 476 Y N 1.105 121.438 120.300 0.055 0.000 2.393 476 Y HA 0.503 5.053 4.550 0.000 0.000 0.338 476 Y C 0.584 176.551 175.900 0.113 0.000 1.029 476 Y CA -0.500 57.648 58.100 0.079 0.000 1.239 476 Y CB 0.322 38.823 38.460 0.069 0.000 1.170 476 Y HN 0.105 nan 8.280 nan 0.000 0.515 477 G N 4.246 112.773 108.800 -0.455 0.000 2.870 477 G HA2 0.300 4.260 3.960 -0.000 0.000 0.299 477 G HA3 0.300 4.260 3.960 -0.000 0.000 0.299 477 G C -2.429 172.309 174.900 -0.269 0.000 1.324 477 G CA -0.848 44.046 45.100 -0.343 0.000 0.808 477 G HN 0.532 nan 8.290 nan 0.000 0.535 478 Y N 1.328 121.441 120.300 -0.312 0.000 2.364 478 Y HA 0.617 5.167 4.550 -0.000 0.000 0.340 478 Y C -0.464 175.236 175.900 -0.334 0.000 0.975 478 Y CA -1.767 56.018 58.100 -0.524 0.000 1.089 478 Y CB 1.788 39.814 38.460 -0.724 0.000 1.192 478 Y HN 0.410 nan 8.280 nan 0.000 0.454 479 N N 4.886 123.148 118.700 -0.730 0.000 2.469 479 N HA 0.227 4.967 4.740 -0.000 0.000 0.239 479 N C 0.492 175.411 175.510 -0.986 0.000 1.053 479 N CA 0.633 53.312 53.050 -0.618 0.000 0.937 479 N CB 1.473 39.759 38.487 -0.335 0.000 1.163 479 N HN 0.958 nan 8.380 nan 0.000 0.509 480 A N 4.123 126.414 122.820 -0.882 0.000 1.908 480 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 480 A C 2.074 179.424 177.584 -0.390 0.000 1.181 480 A CA 1.904 53.516 52.037 -0.708 0.000 0.627 480 A CB -0.722 18.087 19.000 -0.319 0.000 0.818 480 A HN 0.724 nan 8.150 nan 0.000 0.445 481 A N -0.810 121.839 122.820 -0.285 0.000 2.024 481 A HA -0.061 4.259 4.320 -0.000 0.000 0.220 481 A C 2.190 179.681 177.584 -0.155 0.000 1.164 481 A CA 2.454 54.388 52.037 -0.172 0.000 0.643 481 A CB -0.787 18.134 19.000 -0.132 0.000 0.806 481 A HN 0.912 nan 8.150 nan 0.000 0.451 482 T N -5.209 109.219 114.554 -0.209 0.000 3.004 482 T HA 0.285 4.635 4.350 -0.000 0.000 0.266 482 T C 0.294 174.914 174.700 -0.134 0.000 0.986 482 T CA 0.675 62.692 62.100 -0.138 0.000 0.902 482 T CB -0.116 68.688 68.868 -0.108 0.000 1.118 482 T HN 0.534 nan 8.240 nan 0.000 0.522 483 E N 0.781 120.820 120.200 -0.268 0.000 2.791 483 E HA -0.162 4.188 4.350 -0.000 0.000 0.271 483 E C -0.728 175.917 176.600 0.074 0.000 1.044 483 E CA 0.674 57.032 56.400 -0.071 0.000 0.814 483 E CB -1.606 28.147 29.700 0.089 0.000 1.400 483 E HN 0.754 nan 8.360 nan 0.000 0.423 484 E N -0.206 119.930 120.200 -0.106 0.000 2.210 484 E HA 0.412 4.762 4.350 -0.000 0.000 0.266 484 E C -0.701 175.907 176.600 0.013 0.000 0.883 484 E CA -0.649 55.780 56.400 0.048 0.000 0.761 484 E CB 1.097 30.821 29.700 0.041 0.000 1.156 484 E HN 0.033 nan 8.360 nan 0.000 0.412 485 Y N 0.848 121.263 120.300 0.191 0.000 2.340 485 Y HA 0.647 5.197 4.550 -0.000 0.000 0.327 485 Y C 1.262 177.253 175.900 0.152 0.000 1.321 485 Y CA 0.458 58.628 58.100 0.117 0.000 1.433 485 Y CB 1.279 39.819 38.460 0.134 0.000 1.373 485 Y HN 0.724 nan 8.280 nan 0.000 0.538 486 G N 0.169 109.164 108.800 0.325 0.000 2.403 486 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.223 486 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.223 486 G C -1.601 173.496 174.900 0.327 0.000 1.287 486 G CA -1.007 44.339 45.100 0.409 0.000 0.982 486 G HN 0.562 nan 8.290 nan 0.000 0.471 487 N N 1.587 120.410 118.700 0.206 0.000 2.558 487 N HA 0.198 4.938 4.740 -0.000 0.000 0.233 487 N C 1.880 177.432 175.510 0.070 0.000 1.038 487 N CA -0.539 52.599 53.050 0.146 0.000 0.934 487 N CB 0.603 39.157 38.487 0.112 0.000 1.175 487 N HN 0.397 nan 8.380 nan 0.000 0.512 488 M N 2.946 122.569 119.600 0.039 0.000 2.116 488 M HA -0.251 4.229 4.480 -0.000 0.000 0.255 488 M C 1.656 177.958 176.300 0.004 0.000 1.075 488 M CA 1.534 56.832 55.300 -0.003 0.000 1.087 488 M CB -0.634 31.955 32.600 -0.018 0.000 1.340 488 M HN 0.575 nan 8.290 nan 0.000 0.402 489 I N -0.264 120.319 120.570 0.021 0.000 2.233 489 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 489 I C 1.881 178.009 176.117 0.018 0.000 1.093 489 I CA 1.125 62.435 61.300 0.017 0.000 1.380 489 I CB -0.560 37.455 38.000 0.024 0.000 1.067 489 I HN 0.204 nan 8.210 nan 0.000 0.413 490 D N 0.874 121.291 120.400 0.028 0.000 2.144 490 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 490 D C 2.086 178.397 176.300 0.018 0.000 0.984 490 D CA 1.348 55.364 54.000 0.026 0.000 0.834 490 D CB -0.208 40.615 40.800 0.037 0.000 0.955 490 D HN 0.319 nan 8.370 nan 0.000 0.465 491 M N -0.510 119.099 119.600 0.015 0.000 2.686 491 M HA 0.108 4.588 4.480 -0.000 0.000 0.246 491 M C 1.054 177.346 176.300 -0.013 0.000 1.096 491 M CA 0.645 55.945 55.300 -0.001 0.000 1.076 491 M CB 0.102 32.695 32.600 -0.011 0.000 1.504 491 M HN 0.071 nan 8.290 nan 0.000 0.524 492 G N 1.649 110.445 108.800 -0.007 0.000 2.176 492 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.252 492 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.252 492 G C -0.124 174.765 174.900 -0.019 0.000 1.024 492 G CA -0.272 44.822 45.100 -0.010 0.000 0.755 492 G HN 0.430 nan 8.290 nan 0.000 0.507 493 I N 1.279 121.835 120.570 -0.023 0.000 2.428 493 I HA 0.578 4.748 4.170 -0.000 0.000 0.279 493 I C 0.594 176.698 176.117 -0.022 0.000 1.040 493 I CA -0.685 60.595 61.300 -0.034 0.000 1.171 493 I CB 0.208 38.173 38.000 -0.058 0.000 1.312 493 I HN 0.381 nan 8.210 nan 0.000 0.470 494 L N 3.093 124.307 121.223 -0.015 0.000 2.510 494 L HA 0.857 5.197 4.340 -0.000 0.000 0.252 494 L C -1.516 175.351 176.870 -0.005 0.000 1.091 494 L CA -0.836 54.000 54.840 -0.007 0.000 0.888 494 L CB 2.744 44.803 42.059 0.001 0.000 1.507 494 L HN 0.031 nan 8.230 nan 0.000 0.407 495 D N -0.235 120.165 120.400 -0.001 0.000 2.964 495 D HA 0.415 5.055 4.640 -0.000 0.000 0.234 495 D C -2.799 173.505 176.300 0.005 0.000 1.223 495 D CA -1.118 52.883 54.000 0.001 0.000 0.889 495 D CB 2.586 43.385 40.800 -0.001 0.000 1.609 495 D HN 0.312 nan 8.370 nan 0.000 0.523 496 P HA 0.001 nan 4.420 nan 0.000 0.260 496 P C 0.938 178.243 177.300 0.008 0.000 1.185 496 P CA 0.298 63.406 63.100 0.012 0.000 0.763 496 P CB 0.610 32.321 31.700 0.019 0.000 0.776 497 T N 3.239 117.798 114.554 0.007 0.000 2.624 497 T HA -0.296 4.054 4.350 -0.000 0.000 0.266 497 T C 1.640 176.339 174.700 -0.001 0.000 1.050 497 T CA 1.711 63.813 62.100 0.003 0.000 1.163 497 T CB -0.420 68.450 68.868 0.004 0.000 0.861 497 T HN 0.512 nan 8.240 nan 0.000 0.443 498 K N 0.650 121.051 120.400 0.001 0.000 2.032 498 K HA -0.212 4.108 4.320 -0.000 0.000 0.218 498 K C 2.452 179.047 176.600 -0.009 0.000 1.054 498 K CA 2.311 58.595 56.287 -0.004 0.000 0.941 498 K CB -0.607 31.897 32.500 0.007 0.000 0.720 498 K HN 0.384 nan 8.250 nan 0.000 0.449 499 V N -0.747 119.167 119.914 0.001 0.000 2.255 499 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 499 V C 1.992 178.086 176.094 0.000 0.000 1.051 499 V CA 2.525 64.826 62.300 0.003 0.000 1.018 499 V CB -1.415 30.409 31.823 0.002 0.000 0.641 499 V HN 0.389 nan 8.190 nan 0.000 0.445 500 T N 0.337 114.890 114.554 -0.002 0.000 2.624 500 T HA -0.277 4.073 4.350 -0.000 0.000 0.268 500 T C 1.961 176.655 174.700 -0.010 0.000 1.041 500 T CA 2.637 64.737 62.100 -0.001 0.000 1.159 500 T CB -0.452 68.415 68.868 -0.001 0.000 0.863 500 T HN 0.663 nan 8.240 nan 0.000 0.434 501 R N 0.860 121.347 120.500 -0.021 0.000 2.088 501 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 501 R C 2.661 178.919 176.300 -0.071 0.000 1.136 501 R CA 2.014 58.089 56.100 -0.041 0.000 0.926 501 R CB -0.575 29.697 30.300 -0.046 0.000 0.837 501 R HN 0.301 nan 8.270 nan 0.000 0.429 502 S N 0.963 116.612 115.700 -0.086 0.000 2.401 502 S HA -0.325 4.145 4.470 -0.000 0.000 0.236 502 S C 2.091 176.649 174.600 -0.071 0.000 1.058 502 S CA 1.682 59.793 58.200 -0.149 0.000 1.151 502 S CB -0.848 62.322 63.200 -0.050 0.000 1.049 502 S HN 0.635 nan 8.310 nan 0.000 0.432 503 A N 2.331 125.169 122.820 0.030 0.000 1.863 503 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 503 A C 2.135 179.757 177.584 0.063 0.000 1.233 503 A CA 1.993 54.077 52.037 0.078 0.000 0.655 503 A CB -1.220 17.807 19.000 0.045 0.000 0.839 503 A HN 0.457 nan 8.150 nan 0.000 0.454 504 L N -0.359 120.875 121.223 0.019 0.000 2.043 504 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 504 L C 2.592 179.464 176.870 0.004 0.000 1.075 504 L CA 2.728 57.575 54.840 0.012 0.000 0.752 504 L CB -1.000 41.057 42.059 -0.003 0.000 0.891 504 L HN 0.619 nan 8.230 nan 0.000 0.432 505 Q N -1.450 118.321 119.800 -0.047 0.000 2.046 505 Q HA -0.223 4.117 4.340 -0.000 0.000 0.200 505 Q C 2.100 178.099 176.000 -0.002 0.000 0.975 505 Q CA 1.575 57.330 55.803 -0.080 0.000 0.836 505 Q CB -0.279 28.336 28.738 -0.204 0.000 0.896 505 Q HN 0.453 nan 8.270 nan 0.000 0.428 506 Y N 0.746 121.046 120.300 0.001 0.000 2.165 506 Y HA -0.222 4.328 4.550 -0.000 0.000 0.286 506 Y C 2.434 178.335 175.900 0.000 0.000 1.155 506 Y CA 0.833 58.933 58.100 0.000 0.000 1.164 506 Y CB -0.933 37.527 38.460 -0.001 0.000 0.978 506 Y HN 0.146 nan 8.280 nan 0.000 0.513 507 A N 0.008 122.929 122.820 0.169 0.000 1.865 507 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 507 A C 2.552 180.179 177.584 0.071 0.000 1.191 507 A CA 2.304 54.396 52.037 0.092 0.000 0.623 507 A CB -1.381 17.656 19.000 0.061 0.000 0.826 507 A HN 0.399 nan 8.150 nan 0.000 0.444 508 A N -0.570 122.285 122.820 0.058 0.000 1.892 508 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 508 A C 2.474 180.088 177.584 0.050 0.000 1.188 508 A CA 2.638 54.699 52.037 0.040 0.000 0.631 508 A CB -1.297 17.717 19.000 0.024 0.000 0.822 508 A HN 0.751 nan 8.150 nan 0.000 0.447 509 S N -0.855 114.891 115.700 0.077 0.000 2.427 509 S HA -0.230 4.240 4.470 -0.000 0.000 0.231 509 S C 1.975 176.614 174.600 0.065 0.000 1.045 509 S CA 2.468 60.721 58.200 0.088 0.000 1.154 509 S CB -0.999 62.305 63.200 0.174 0.000 1.093 509 S HN 0.909 nan 8.310 nan 0.000 0.422 510 V N 2.091 122.046 119.914 0.068 0.000 2.380 510 V HA -0.116 4.004 4.120 -0.000 0.000 0.251 510 V C 2.583 178.694 176.094 0.027 0.000 1.063 510 V CA 2.399 64.721 62.300 0.037 0.000 1.055 510 V CB -1.424 30.414 31.823 0.024 0.000 0.657 510 V HN 0.682 nan 8.190 nan 0.000 0.455 511 A N 0.261 123.099 122.820 0.031 0.000 1.834 511 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 511 A C 2.481 180.076 177.584 0.018 0.000 1.203 511 A CA 2.229 54.279 52.037 0.022 0.000 0.621 511 A CB -1.768 17.245 19.000 0.022 0.000 0.841 511 A HN 0.719 nan 8.150 nan 0.000 0.446 512 G N -0.571 108.240 108.800 0.019 0.000 2.469 512 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 512 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 512 G C 1.448 176.356 174.900 0.013 0.000 1.136 512 G CA 1.354 46.463 45.100 0.015 0.000 0.759 512 G HN 0.381 nan 8.290 nan 0.000 0.562 513 L N 0.289 121.522 121.223 0.017 0.000 2.021 513 L HA -0.090 4.250 4.340 -0.000 0.000 0.215 513 L C 3.038 179.912 176.870 0.007 0.000 1.074 513 L CA 1.810 56.657 54.840 0.013 0.000 0.760 513 L CB -0.452 41.616 42.059 0.016 0.000 0.889 513 L HN 0.283 nan 8.230 nan 0.000 0.433 514 M N -1.594 118.009 119.600 0.006 0.000 2.077 514 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 514 M C 2.197 178.496 176.300 -0.001 0.000 1.070 514 M CA 1.749 57.049 55.300 0.001 0.000 1.125 514 M CB -0.446 32.155 32.600 0.002 0.000 1.339 514 M HN 0.156 nan 8.290 nan 0.000 0.409 515 I N 0.373 120.945 120.570 0.003 0.000 2.479 515 I HA -0.286 3.884 4.170 -0.000 0.000 0.258 515 I C 1.914 178.033 176.117 0.003 0.000 1.165 515 I CA 1.632 62.934 61.300 0.003 0.000 1.422 515 I CB -0.831 37.172 38.000 0.006 0.000 1.087 515 I HN 0.486 nan 8.210 nan 0.000 0.441 516 T N -4.450 110.105 114.554 0.003 0.000 3.044 516 T HA 0.134 4.484 4.350 -0.000 0.000 0.260 516 T C 0.664 175.363 174.700 -0.001 0.000 1.019 516 T CA -0.262 61.840 62.100 0.003 0.000 0.921 516 T CB -0.236 68.635 68.868 0.006 0.000 1.053 516 T HN -0.011 nan 8.240 nan 0.000 0.533 517 T N 3.015 117.565 114.554 -0.006 0.000 2.794 517 T HA 0.253 4.603 4.350 -0.000 0.000 0.296 517 T C 0.596 175.283 174.700 -0.022 0.000 0.949 517 T CA -0.361 61.729 62.100 -0.017 0.000 1.101 517 T CB 1.197 70.052 68.868 -0.022 0.000 0.905 517 T HN 0.134 nan 8.240 nan 0.000 0.516 518 E N 0.612 120.795 120.200 -0.027 0.000 2.511 518 E HA 0.184 4.534 4.350 -0.000 0.000 0.209 518 E C 0.147 176.691 176.600 -0.092 0.000 0.986 518 E CA 0.033 56.425 56.400 -0.015 0.000 0.974 518 E CB 0.682 30.401 29.700 0.032 0.000 1.030 518 E HN 0.564 nan 8.360 nan 0.000 0.490 519 C N 0.352 119.552 119.300 -0.167 0.000 3.082 519 C HA 0.683 5.143 4.460 -0.000 0.000 0.324 519 C C -1.560 173.299 174.990 -0.217 0.000 1.210 519 C CA -0.565 58.245 59.018 -0.346 0.000 1.366 519 C CB 0.776 28.245 27.740 -0.452 0.000 1.756 519 C HN 0.135 nan 8.230 nan 0.000 0.485 520 M N 4.859 124.328 119.600 -0.219 0.000 2.271 520 M HA 0.518 4.998 4.480 -0.000 0.000 0.285 520 M C -1.144 175.254 176.300 0.164 0.000 1.059 520 M CA -0.420 54.882 55.300 0.004 0.000 0.940 520 M CB 2.039 34.676 32.600 0.060 0.000 1.636 520 M HN 0.405 nan 8.290 nan 0.000 0.460 521 V N 1.245 121.229 119.914 0.115 0.000 2.628 521 V HA 0.909 5.029 4.120 -0.000 0.000 0.306 521 V C -0.143 175.955 176.094 0.007 0.000 1.045 521 V CA -0.380 61.968 62.300 0.079 0.000 0.905 521 V CB 2.073 33.901 31.823 0.008 0.000 0.997 521 V HN 0.950 nan 8.190 nan 0.000 0.436 522 T N 1.103 115.602 114.554 -0.092 0.000 2.677 522 T HA 0.294 4.644 4.350 -0.000 0.000 0.305 522 T C -1.755 172.836 174.700 -0.182 0.000 1.569 522 T CA -0.583 61.398 62.100 -0.198 0.000 0.984 522 T CB 1.873 70.480 68.868 -0.434 0.000 1.629 522 T HN 0.638 nan 8.240 nan 0.000 0.494 523 D N 1.117 121.416 120.400 -0.169 0.000 2.377 523 D HA 0.424 5.064 4.640 -0.000 0.000 0.245 523 D C 0.145 176.359 176.300 -0.143 0.000 1.196 523 D CA -0.118 53.809 54.000 -0.122 0.000 0.962 523 D CB 0.507 41.252 40.800 -0.091 0.000 1.127 523 D HN 0.421 nan 8.370 nan 0.000 0.471 524 L N 1.882 123.053 121.223 -0.088 0.000 2.375 524 L HA 0.284 4.624 4.340 -0.000 0.000 0.271 524 L C -1.257 175.573 176.870 -0.067 0.000 1.107 524 L CA -1.472 53.325 54.840 -0.072 0.000 0.806 524 L CB 0.358 42.397 42.059 -0.034 0.000 1.146 524 L HN 0.304 nan 8.230 nan 0.000 0.447 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.073 63.100 -0.045 0.000 0.800 525 P CB 0.000 31.684 31.700 -0.027 0.000 0.726