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 1sx3_1_C DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 1.744 124.564 122.820 0.001 0.000 2.561 3 A HA 0.496 4.816 4.320 -0.000 0.000 0.234 3 A C 0.244 177.831 177.584 0.004 0.000 1.055 3 A CA 0.476 52.517 52.037 0.007 0.000 0.756 3 A CB -0.082 18.926 19.000 0.012 0.000 0.986 3 A HN 0.607 nan 8.150 nan 0.000 0.505 4 K N 1.518 121.926 120.400 0.013 0.000 2.156 4 K HA 0.387 4.707 4.320 -0.000 0.000 0.250 4 K C -1.034 175.594 176.600 0.047 0.000 0.955 4 K CA -0.709 55.586 56.287 0.012 0.000 0.855 4 K CB 1.584 34.089 32.500 0.008 0.000 1.101 4 K HN 0.746 nan 8.250 nan 0.000 0.434 5 D N 1.110 121.551 120.400 0.068 0.000 2.193 5 D HA 0.332 4.972 4.640 -0.000 0.000 0.244 5 D C -1.180 175.277 176.300 0.261 0.000 1.064 5 D CA -0.576 53.530 54.000 0.177 0.000 0.845 5 D CB 1.246 42.195 40.800 0.248 0.000 1.148 5 D HN 0.045 nan 8.370 nan 0.000 0.464 6 V N 4.323 124.354 119.914 0.195 0.000 2.531 6 V HA 0.427 4.547 4.120 -0.000 0.000 0.301 6 V C 0.096 176.157 176.094 -0.055 0.000 1.034 6 V CA -0.792 61.546 62.300 0.063 0.000 0.865 6 V CB 1.751 33.576 31.823 0.004 0.000 0.995 6 V HN 0.407 nan 8.190 nan 0.000 0.424 7 K N 3.620 123.875 120.400 -0.241 0.000 2.318 7 K HA 0.779 5.099 4.320 -0.000 0.000 0.249 7 K C -1.589 174.754 176.600 -0.427 0.000 0.942 7 K CA -0.533 55.553 56.287 -0.334 0.000 0.808 7 K CB 2.512 34.607 32.500 -0.675 0.000 1.189 7 K HN 0.464 nan 8.250 nan 0.000 0.428 8 F N -0.158 119.738 119.950 -0.091 0.000 2.577 8 F HA 0.426 4.953 4.527 -0.000 0.000 0.318 8 F C 1.148 176.915 175.800 -0.055 0.000 1.065 8 F CA -0.033 57.938 58.000 -0.049 0.000 0.929 8 F CB 1.861 40.843 39.000 -0.031 0.000 1.237 8 F HN 0.819 nan 8.300 nan 0.000 0.468 9 G N 1.962 110.859 108.800 0.163 0.000 2.634 9 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.309 9 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.309 9 G C 1.116 176.037 174.900 0.036 0.000 1.265 9 G CA 0.726 45.879 45.100 0.088 0.000 0.998 9 G HN 0.698 nan 8.290 nan 0.000 0.551 10 N N 0.729 119.442 118.700 0.022 0.000 2.104 10 N HA -0.127 4.613 4.740 -0.000 0.000 0.190 10 N C 1.805 177.302 175.510 -0.021 0.000 1.024 10 N CA 1.865 54.916 53.050 0.001 0.000 0.853 10 N CB -0.344 38.143 38.487 -0.000 0.000 1.008 10 N HN 0.533 nan 8.380 nan 0.000 0.424 11 D N 0.763 121.146 120.400 -0.029 0.000 2.133 11 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 11 D C 1.782 178.001 176.300 -0.134 0.000 0.997 11 D CA 1.169 55.120 54.000 -0.081 0.000 0.840 11 D CB -0.341 40.404 40.800 -0.093 0.000 0.947 11 D HN 0.302 nan 8.370 nan 0.000 0.452 12 A N 0.576 123.322 122.820 -0.123 0.000 1.898 12 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 12 A C 2.397 179.948 177.584 -0.055 0.000 1.181 12 A CA 1.973 53.927 52.037 -0.138 0.000 0.620 12 A CB -1.024 17.915 19.000 -0.102 0.000 0.819 12 A HN 0.301 nan 8.150 nan 0.000 0.442 13 G N -0.104 108.680 108.800 -0.027 0.000 2.418 13 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.217 13 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.217 13 G C 1.666 176.562 174.900 -0.006 0.000 1.158 13 G CA 1.893 46.989 45.100 -0.006 0.000 0.771 13 G HN 1.064 nan 8.290 nan 0.000 0.545 14 V N -0.680 119.224 119.914 -0.017 0.000 2.515 14 V HA -0.030 4.090 4.120 -0.000 0.000 0.250 14 V C 2.433 178.525 176.094 -0.004 0.000 1.058 14 V CA 2.219 64.513 62.300 -0.011 0.000 1.064 14 V CB -0.350 31.465 31.823 -0.015 0.000 0.675 14 V HN 0.138 nan 8.190 nan 0.000 0.461 15 K N -0.093 120.301 120.400 -0.011 0.000 2.062 15 K HA 0.047 4.367 4.320 -0.000 0.000 0.205 15 K C 2.214 178.845 176.600 0.051 0.000 1.051 15 K CA 1.925 58.228 56.287 0.027 0.000 0.941 15 K CB -0.504 32.018 32.500 0.037 0.000 0.719 15 K HN 0.518 nan 8.250 nan 0.000 0.440 16 M N 0.441 120.067 119.600 0.044 0.000 2.086 16 M HA -0.175 4.305 4.480 -0.000 0.000 0.261 16 M C 2.205 178.524 176.300 0.032 0.000 1.067 16 M CA 1.141 56.469 55.300 0.047 0.000 1.116 16 M CB -0.303 32.320 32.600 0.038 0.000 1.348 16 M HN 0.020 nan 8.290 nan 0.000 0.407 17 L N 0.485 121.721 121.223 0.022 0.000 2.042 17 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 17 L C 2.451 179.331 176.870 0.018 0.000 1.076 17 L CA 1.944 56.794 54.840 0.017 0.000 0.749 17 L CB -0.674 41.392 42.059 0.012 0.000 0.893 17 L HN 0.161 nan 8.230 nan 0.000 0.432 18 R N -0.045 120.466 120.500 0.019 0.000 2.081 18 R HA -0.043 4.297 4.340 -0.000 0.000 0.235 18 R C 2.185 178.498 176.300 0.021 0.000 1.131 18 R CA 1.760 57.872 56.100 0.019 0.000 0.960 18 R CB -1.434 28.878 30.300 0.020 0.000 0.856 18 R HN 0.437 nan 8.270 nan 0.000 0.436 19 G N 0.244 109.061 108.800 0.028 0.000 2.421 19 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 19 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 19 G C 1.524 176.434 174.900 0.017 0.000 1.171 19 G CA 1.221 46.336 45.100 0.025 0.000 0.775 19 G HN 0.362 nan 8.290 nan 0.000 0.543 20 V N 1.072 120.997 119.914 0.018 0.000 2.332 20 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 20 V C 2.311 178.412 176.094 0.012 0.000 1.055 20 V CA 2.727 65.035 62.300 0.014 0.000 1.038 20 V CB -0.651 31.181 31.823 0.016 0.000 0.651 20 V HN 0.281 nan 8.190 nan 0.000 0.450 21 N N 0.541 119.248 118.700 0.012 0.000 2.149 21 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 21 N C 1.803 177.318 175.510 0.008 0.000 1.019 21 N CA 1.834 54.890 53.050 0.010 0.000 0.857 21 N CB -0.692 37.800 38.487 0.009 0.000 0.997 21 N HN 0.527 nan 8.380 nan 0.000 0.426 22 V N 1.367 121.286 119.914 0.008 0.000 2.307 22 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 22 V C 2.375 178.471 176.094 0.004 0.000 1.045 22 V CA 1.113 63.416 62.300 0.006 0.000 1.024 22 V CB -0.537 31.289 31.823 0.006 0.000 0.651 22 V HN 0.212 nan 8.190 nan 0.000 0.449 23 L N 0.634 121.860 121.223 0.004 0.000 2.027 23 L HA -0.061 4.279 4.340 -0.000 0.000 0.206 23 L C 2.372 179.243 176.870 0.002 0.000 1.074 23 L CA 2.389 57.229 54.840 0.002 0.000 0.745 23 L CB -0.674 41.386 42.059 0.002 0.000 0.898 23 L HN 0.197 nan 8.230 nan 0.000 0.433 24 A N -0.763 122.060 122.820 0.005 0.000 1.897 24 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 24 A C 1.927 179.514 177.584 0.004 0.000 1.181 24 A CA 1.508 53.548 52.037 0.005 0.000 0.620 24 A CB -0.788 18.217 19.000 0.008 0.000 0.821 24 A HN 0.528 nan 8.150 nan 0.000 0.443 25 D N 0.442 120.845 120.400 0.004 0.000 2.149 25 D HA -0.090 4.550 4.640 -0.000 0.000 0.198 25 D C 2.104 178.405 176.300 0.001 0.000 0.990 25 D CA 1.551 55.552 54.000 0.003 0.000 0.839 25 D CB -0.337 40.465 40.800 0.003 0.000 0.948 25 D HN 0.447 nan 8.370 nan 0.000 0.460 26 A N 0.299 123.119 122.820 0.000 0.000 1.898 26 A HA -0.058 4.262 4.320 -0.000 0.000 0.214 26 A C 2.483 180.066 177.584 -0.002 0.000 1.183 26 A CA 0.808 52.844 52.037 -0.001 0.000 0.622 26 A CB -0.574 18.424 19.000 -0.003 0.000 0.824 26 A HN 0.135 nan 8.150 nan 0.000 0.444 27 V N 1.423 121.336 119.914 -0.002 0.000 2.427 27 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 27 V C 2.504 178.598 176.094 -0.001 0.000 1.051 27 V CA 2.241 64.539 62.300 -0.002 0.000 1.048 27 V CB -0.677 31.145 31.823 -0.002 0.000 0.666 27 V HN 0.841 nan 8.190 nan 0.000 0.456 28 K N 1.197 121.598 120.400 0.001 0.000 2.432 28 K HA -0.033 4.287 4.320 -0.000 0.000 0.196 28 K C 1.718 178.319 176.600 0.002 0.000 1.038 28 K CA 1.433 57.722 56.287 0.003 0.000 0.986 28 K CB -0.322 32.181 32.500 0.005 0.000 0.782 28 K HN 0.481 nan 8.250 nan 0.000 0.485 29 V N -0.264 119.651 119.914 0.001 0.000 3.141 29 V HA -0.083 4.037 4.120 -0.000 0.000 0.265 29 V C 1.943 178.037 176.094 0.000 0.000 1.126 29 V CA 1.454 63.754 62.300 0.001 0.000 1.141 29 V CB -0.904 30.919 31.823 -0.000 0.000 0.743 29 V HN 0.487 nan 8.190 nan 0.000 0.492 30 T N -1.937 112.616 114.554 -0.001 0.000 3.107 30 T HA 0.298 4.648 4.350 -0.000 0.000 0.249 30 T C 0.439 175.138 174.700 -0.002 0.000 1.096 30 T CA -0.125 61.974 62.100 -0.003 0.000 1.012 30 T CB -0.184 68.681 68.868 -0.005 0.000 0.977 30 T HN 0.383 nan 8.240 nan 0.000 0.527 31 L N 2.537 123.761 121.223 0.001 0.000 2.367 31 L HA 0.595 4.935 4.340 -0.000 0.000 0.275 31 L C 0.750 177.622 176.870 0.003 0.000 1.129 31 L CA 1.401 56.243 54.840 0.003 0.000 0.839 31 L CB -0.340 41.723 42.059 0.006 0.000 1.133 31 L HN 0.630 nan 8.230 nan 0.000 0.453 32 G N 4.625 113.426 108.800 0.001 0.000 2.725 32 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.220 32 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.220 32 G C -1.925 172.971 174.900 -0.007 0.000 1.357 32 G CA -0.266 44.833 45.100 -0.001 0.000 0.866 32 G HN 0.598 nan 8.290 nan 0.000 0.548 33 P HA 0.029 nan 4.420 nan 0.000 0.220 33 P C 0.982 178.272 177.300 -0.016 0.000 1.148 33 P CA 1.336 64.424 63.100 -0.020 0.000 0.803 33 P CB 0.101 31.780 31.700 -0.035 0.000 0.782 34 K N 0.309 120.704 120.400 -0.009 0.000 2.570 34 K HA 0.247 4.567 4.320 -0.000 0.000 0.210 34 K C 1.004 177.604 176.600 -0.001 0.000 1.048 34 K CA -0.187 56.097 56.287 -0.004 0.000 1.167 34 K CB 0.135 32.637 32.500 0.003 0.000 0.892 34 K HN 0.055 nan 8.250 nan 0.000 0.480 35 G N 1.641 110.440 108.800 -0.002 0.000 2.474 35 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.233 35 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.233 35 G C 0.198 175.097 174.900 -0.003 0.000 1.278 35 G CA -0.282 44.817 45.100 -0.001 0.000 0.861 35 G HN 0.100 nan 8.290 nan 0.000 0.567 36 R N 0.924 121.424 120.500 -0.002 0.000 2.553 36 R HA 0.205 4.545 4.340 -0.000 0.000 0.263 36 R C 0.181 176.479 176.300 -0.003 0.000 1.066 36 R CA -0.786 55.313 56.100 -0.002 0.000 1.135 36 R CB 0.479 30.778 30.300 -0.001 0.000 1.148 36 R HN 0.663 nan 8.270 nan 0.000 0.558 37 N N -0.751 117.947 118.700 -0.004 0.000 2.529 37 N HA 0.232 4.972 4.740 -0.000 0.000 0.278 37 N C -0.834 174.674 175.510 -0.004 0.000 1.146 37 N CA -0.321 52.726 53.050 -0.004 0.000 0.980 37 N CB 1.106 39.591 38.487 -0.004 0.000 1.124 37 N HN 0.089 nan 8.380 nan 0.000 0.458 38 V N 2.142 122.053 119.914 -0.005 0.000 2.495 38 V HA 0.335 4.455 4.120 -0.000 0.000 0.298 38 V C -0.194 175.896 176.094 -0.006 0.000 1.031 38 V CA -0.817 61.480 62.300 -0.005 0.000 0.871 38 V CB 1.765 33.585 31.823 -0.006 0.000 0.988 38 V HN 0.320 nan 8.190 nan 0.000 0.432 39 V N 6.294 126.205 119.914 -0.006 0.000 2.407 39 V HA 0.473 4.593 4.120 -0.000 0.000 0.278 39 V C -0.226 175.863 176.094 -0.008 0.000 1.037 39 V CA -0.418 61.879 62.300 -0.006 0.000 0.900 39 V CB 1.339 33.159 31.823 -0.006 0.000 0.983 39 V HN 0.626 nan 8.190 nan 0.000 0.459 40 L N 3.753 124.972 121.223 -0.007 0.000 2.319 40 L HA 0.524 4.864 4.340 -0.000 0.000 0.281 40 L C -0.201 176.663 176.870 -0.009 0.000 1.005 40 L CA -0.613 54.221 54.840 -0.008 0.000 0.828 40 L CB 1.625 43.680 42.059 -0.007 0.000 1.227 40 L HN 0.486 nan 8.230 nan 0.000 0.415 41 D N 3.417 123.809 120.400 -0.014 0.000 2.414 41 D HA 0.195 4.835 4.640 -0.000 0.000 0.242 41 D C -0.425 175.864 176.300 -0.019 0.000 1.129 41 D CA 0.367 54.355 54.000 -0.021 0.000 0.885 41 D CB 1.038 41.819 40.800 -0.031 0.000 1.198 41 D HN 0.365 nan 8.370 nan 0.000 0.437 42 K N 0.373 120.761 120.400 -0.020 0.000 2.328 42 K HA 0.195 4.515 4.320 -0.000 0.000 0.246 42 K C 1.022 177.590 176.600 -0.053 0.000 0.955 42 K CA -0.583 55.699 56.287 -0.008 0.000 0.817 42 K CB 1.699 34.214 32.500 0.025 0.000 1.208 42 K HN 0.373 nan 8.250 nan 0.000 0.432 43 S N 1.136 116.795 115.700 -0.067 0.000 2.447 43 S HA -0.006 4.464 4.470 -0.000 0.000 0.233 43 S C 0.286 174.556 174.600 -0.550 0.000 1.006 43 S CA 0.666 58.699 58.200 -0.280 0.000 0.957 43 S CB -0.128 62.927 63.200 -0.241 0.000 0.773 43 S HN 0.396 nan 8.310 nan 0.000 0.507 44 F N 0.924 120.871 119.950 -0.004 0.000 2.556 44 F HA 0.660 5.187 4.527 -0.000 0.000 0.314 44 F C 1.012 176.809 175.800 -0.004 0.000 1.106 44 F CA -0.027 57.970 58.000 -0.004 0.000 0.911 44 F CB 1.724 40.722 39.000 -0.004 0.000 1.190 44 F HN 0.371 nan 8.300 nan 0.000 0.448 45 G N 1.290 110.185 108.800 0.159 0.000 2.598 45 G HA2 0.132 4.092 3.960 -0.000 0.000 0.244 45 G HA3 0.132 4.092 3.960 -0.000 0.000 0.244 45 G C -0.524 174.404 174.900 0.047 0.000 1.302 45 G CA -0.533 44.622 45.100 0.092 0.000 0.903 45 G HN 1.234 nan 8.290 nan 0.000 0.575 46 A N 1.290 124.131 122.820 0.036 0.000 2.371 46 A HA 0.725 5.045 4.320 -0.000 0.000 0.257 46 A C -1.253 176.340 177.584 0.015 0.000 1.089 46 A CA -0.137 51.911 52.037 0.019 0.000 0.794 46 A CB -0.015 18.994 19.000 0.015 0.000 1.029 46 A HN 0.785 nan 8.150 nan 0.000 0.488 47 P HA 0.181 nan 4.420 nan 0.000 0.270 47 P C -0.145 177.157 177.300 0.004 0.000 1.223 47 P CA 0.009 63.110 63.100 0.002 0.000 0.785 47 P CB 0.172 31.869 31.700 -0.005 0.000 0.923 48 T N 2.336 116.892 114.554 0.003 0.000 2.851 48 T HA 0.343 4.693 4.350 -0.000 0.000 0.298 48 T C 0.445 175.144 174.700 -0.002 0.000 0.977 48 T CA 0.151 62.252 62.100 0.002 0.000 1.126 48 T CB -0.292 68.577 68.868 0.001 0.000 0.916 48 T HN 0.187 nan 8.240 nan 0.000 0.529 49 I N 2.887 123.456 120.570 -0.002 0.000 2.389 49 I HA 0.458 4.628 4.170 -0.000 0.000 0.288 49 I C 0.365 176.479 176.117 -0.005 0.000 0.999 49 I CA -0.482 60.816 61.300 -0.003 0.000 1.129 49 I CB 1.895 39.893 38.000 -0.003 0.000 1.288 49 I HN 0.520 nan 8.210 nan 0.000 0.444 50 T N 4.413 118.964 114.554 -0.006 0.000 2.883 50 T HA 0.425 4.775 4.350 -0.000 0.000 0.301 50 T C -0.186 174.510 174.700 -0.008 0.000 1.158 50 T CA -0.606 61.490 62.100 -0.007 0.000 1.007 50 T CB 1.654 70.516 68.868 -0.008 0.000 1.186 50 T HN 0.643 nan 8.240 nan 0.000 0.499 51 K N 1.693 122.088 120.400 -0.009 0.000 2.537 51 K HA 0.238 4.558 4.320 -0.000 0.000 0.206 51 K C -0.803 175.791 176.600 -0.011 0.000 1.041 51 K CA -0.281 56.001 56.287 -0.009 0.000 1.090 51 K CB 0.490 32.985 32.500 -0.009 0.000 0.833 51 K HN 0.476 nan 8.250 nan 0.000 0.493 52 D N -0.444 119.948 120.400 -0.012 0.000 2.381 52 D HA 0.172 4.812 4.640 -0.000 0.000 0.235 52 D C 1.137 177.428 176.300 -0.015 0.000 1.068 52 D CA -0.440 53.551 54.000 -0.015 0.000 0.832 52 D CB 1.461 42.250 40.800 -0.018 0.000 1.101 52 D HN 0.105 nan 8.370 nan 0.000 0.515 53 G N 2.253 111.044 108.800 -0.014 0.000 2.422 53 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 53 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 53 G C 1.421 176.311 174.900 -0.016 0.000 1.146 53 G CA 0.659 45.752 45.100 -0.012 0.000 0.769 53 G HN 0.474 nan 8.290 nan 0.000 0.547 54 V N 1.019 120.920 119.914 -0.021 0.000 2.358 54 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 54 V C 3.089 179.170 176.094 -0.022 0.000 1.047 54 V CA 2.124 64.409 62.300 -0.024 0.000 1.035 54 V CB -0.556 31.248 31.823 -0.031 0.000 0.658 54 V HN 0.367 nan 8.190 nan 0.000 0.452 55 S N 0.020 115.708 115.700 -0.020 0.000 2.380 55 S HA -0.224 4.246 4.470 -0.000 0.000 0.229 55 S C 1.981 176.572 174.600 -0.014 0.000 1.043 55 S CA 1.824 60.014 58.200 -0.016 0.000 1.038 55 S CB -0.349 62.842 63.200 -0.015 0.000 0.872 55 S HN 0.409 nan 8.310 nan 0.000 0.456 56 V N 1.751 121.657 119.914 -0.013 0.000 2.307 56 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 56 V C 2.639 178.725 176.094 -0.012 0.000 1.045 56 V CA 1.630 63.923 62.300 -0.011 0.000 1.024 56 V CB -1.285 30.533 31.823 -0.009 0.000 0.651 56 V HN 0.551 nan 8.190 nan 0.000 0.449 57 A N -0.110 122.702 122.820 -0.014 0.000 1.908 57 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 57 A C 2.373 179.947 177.584 -0.017 0.000 1.181 57 A CA 1.829 53.857 52.037 -0.015 0.000 0.627 57 A CB -0.555 18.434 19.000 -0.017 0.000 0.818 57 A HN 0.478 nan 8.150 nan 0.000 0.445 58 R N -0.564 119.925 120.500 -0.019 0.000 2.152 58 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 58 R C 1.433 177.723 176.300 -0.017 0.000 1.117 58 R CA 1.236 57.324 56.100 -0.020 0.000 0.981 58 R CB -0.110 30.177 30.300 -0.021 0.000 0.870 58 R HN 0.538 nan 8.270 nan 0.000 0.451 59 E N 0.202 120.394 120.200 -0.014 0.000 2.385 59 E HA 0.019 4.369 4.350 -0.000 0.000 0.194 59 E C 0.475 177.067 176.600 -0.013 0.000 1.013 59 E CA 0.212 56.604 56.400 -0.013 0.000 0.866 59 E CB 0.264 29.958 29.700 -0.011 0.000 0.832 59 E HN 0.136 nan 8.360 nan 0.000 0.500 60 I N 2.421 122.983 120.570 -0.012 0.000 2.505 60 I HA 0.091 4.261 4.170 -0.000 0.000 0.287 60 I C 0.423 176.533 176.117 -0.012 0.000 1.104 60 I CA 0.303 61.597 61.300 -0.011 0.000 1.387 60 I CB -0.149 37.846 38.000 -0.009 0.000 1.404 60 I HN -0.003 nan 8.210 nan 0.000 0.528 61 E N 7.327 127.520 120.200 -0.012 0.000 2.321 61 E HA 0.585 4.935 4.350 -0.000 0.000 0.278 61 E C -1.861 174.732 176.600 -0.012 0.000 0.902 61 E CA -0.628 55.763 56.400 -0.014 0.000 0.758 61 E CB 2.001 31.691 29.700 -0.017 0.000 1.213 61 E HN 0.457 nan 8.360 nan 0.000 0.426 62 L N 3.168 124.384 121.223 -0.011 0.000 2.322 62 L HA 0.432 4.772 4.340 -0.000 0.000 0.269 62 L C 1.310 178.175 176.870 -0.009 0.000 1.012 62 L CA -0.669 54.167 54.840 -0.006 0.000 0.815 62 L CB 1.679 43.739 42.059 0.003 0.000 1.295 62 L HN 0.762 nan 8.230 nan 0.000 0.438 63 E N 0.395 120.593 120.200 -0.003 0.000 2.051 63 E HA -0.134 4.216 4.350 -0.000 0.000 0.189 63 E C 0.415 177.014 176.600 -0.001 0.000 0.979 63 E CA 0.288 56.686 56.400 -0.005 0.000 0.803 63 E CB 0.302 30.002 29.700 -0.000 0.000 0.761 63 E HN 0.669 nan 8.360 nan 0.000 0.451 64 D N 0.960 121.371 120.400 0.018 0.000 2.434 64 D HA -0.066 4.574 4.640 -0.000 0.000 0.252 64 D C 0.639 176.951 176.300 0.020 0.000 1.185 64 D CA 0.140 54.167 54.000 0.044 0.000 0.886 64 D CB 0.941 41.788 40.800 0.077 0.000 1.148 64 D HN 0.081 nan 8.370 nan 0.000 0.483 65 K N 3.549 123.926 120.400 -0.039 0.000 2.211 65 K HA -0.120 4.200 4.320 -0.000 0.000 0.203 65 K C 1.802 178.258 176.600 -0.241 0.000 1.050 65 K CA 0.866 57.044 56.287 -0.182 0.000 0.945 65 K CB -0.081 32.225 32.500 -0.324 0.000 0.732 65 K HN 0.477 nan 8.250 nan 0.000 0.451 66 F N 1.924 121.864 119.950 -0.017 0.000 2.187 66 F HA -0.023 4.504 4.527 -0.000 0.000 0.295 66 F C 2.312 178.102 175.800 -0.016 0.000 1.091 66 F CA 0.905 58.892 58.000 -0.021 0.000 1.308 66 F CB -0.307 38.680 39.000 -0.022 0.000 1.030 66 F HN 0.043 nan 8.300 nan 0.000 0.487 67 E N 0.084 120.385 120.200 0.167 0.000 2.110 67 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 67 E C 1.771 178.397 176.600 0.044 0.000 0.988 67 E CA 1.308 57.760 56.400 0.087 0.000 0.804 67 E CB -0.352 29.387 29.700 0.065 0.000 0.745 67 E HN 0.300 nan 8.360 nan 0.000 0.458 68 N N 0.758 119.470 118.700 0.019 0.000 2.120 68 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 68 N C 1.730 177.232 175.510 -0.013 0.000 1.024 68 N CA 1.337 54.381 53.050 -0.009 0.000 0.852 68 N CB -0.004 38.463 38.487 -0.033 0.000 1.003 68 N HN 0.074 nan 8.380 nan 0.000 0.424 69 M N -0.753 118.836 119.600 -0.018 0.000 2.117 69 M HA -0.031 4.449 4.480 -0.000 0.000 0.262 69 M C 2.202 178.509 176.300 0.011 0.000 1.065 69 M CA 1.712 57.004 55.300 -0.013 0.000 1.114 69 M CB -0.597 31.992 32.600 -0.019 0.000 1.361 69 M HN 0.298 nan 8.290 nan 0.000 0.408 70 G N -0.086 108.733 108.800 0.033 0.000 2.440 70 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 70 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 70 G C 1.629 176.539 174.900 0.016 0.000 1.154 70 G CA 1.038 46.156 45.100 0.030 0.000 0.767 70 G HN 0.549 nan 8.290 nan 0.000 0.552 71 A N -0.027 122.800 122.820 0.011 0.000 1.898 71 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 71 A C 2.409 179.992 177.584 -0.002 0.000 1.181 71 A CA 1.811 53.851 52.037 0.004 0.000 0.620 71 A CB -0.284 18.717 19.000 0.001 0.000 0.819 71 A HN 0.302 nan 8.150 nan 0.000 0.442 72 Q N -0.555 119.241 119.800 -0.007 0.000 2.167 72 Q HA -0.053 4.287 4.340 -0.000 0.000 0.202 72 Q C 2.081 178.075 176.000 -0.009 0.000 0.970 72 Q CA 1.357 57.153 55.803 -0.013 0.000 0.855 72 Q CB -0.523 28.203 28.738 -0.020 0.000 0.911 72 Q HN 0.774 nan 8.270 nan 0.000 0.438 73 M N -0.442 119.157 119.600 -0.002 0.000 2.077 73 M HA -0.117 4.363 4.480 -0.000 0.000 0.261 73 M C 2.273 178.577 176.300 0.006 0.000 1.070 73 M CA 1.106 56.408 55.300 0.004 0.000 1.125 73 M CB -0.423 32.184 32.600 0.011 0.000 1.339 73 M HN 0.067 nan 8.290 nan 0.000 0.409 74 V N 0.441 120.360 119.914 0.009 0.000 2.490 74 V HA -0.248 3.872 4.120 -0.000 0.000 0.250 74 V C 1.980 178.074 176.094 0.001 0.000 1.061 74 V CA 1.915 64.222 62.300 0.011 0.000 1.064 74 V CB -0.439 31.393 31.823 0.014 0.000 0.670 74 V HN 0.414 nan 8.190 nan 0.000 0.461 75 K N -0.308 120.088 120.400 -0.007 0.000 2.281 75 K HA -0.151 4.169 4.320 -0.000 0.000 0.203 75 K C 2.005 178.586 176.600 -0.031 0.000 1.046 75 K CA 1.339 57.615 56.287 -0.018 0.000 0.938 75 K CB -0.086 32.402 32.500 -0.021 0.000 0.737 75 K HN 0.451 nan 8.250 nan 0.000 0.458 76 E N 0.135 120.319 120.200 -0.027 0.000 2.338 76 E HA -0.127 4.223 4.350 -0.000 0.000 0.197 76 E C 1.781 178.341 176.600 -0.067 0.000 1.007 76 E CA 0.652 57.026 56.400 -0.045 0.000 0.849 76 E CB 0.119 29.806 29.700 -0.022 0.000 0.774 76 E HN 0.107 nan 8.360 nan 0.000 0.506 77 V N 1.026 120.922 119.914 -0.030 0.000 2.273 77 V HA -0.172 3.948 4.120 -0.000 0.000 0.242 77 V C 2.416 178.476 176.094 -0.056 0.000 1.035 77 V CA 1.544 63.839 62.300 -0.007 0.000 1.013 77 V CB -0.817 31.031 31.823 0.041 0.000 0.652 77 V HN 0.227 nan 8.190 nan 0.000 0.452 78 A N 0.983 123.780 122.820 -0.039 0.000 1.884 78 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 78 A C 2.537 180.062 177.584 -0.098 0.000 1.197 78 A CA 3.156 55.162 52.037 -0.051 0.000 0.637 78 A CB -1.004 17.975 19.000 -0.034 0.000 0.827 78 A HN 0.712 nan 8.150 nan 0.000 0.450 79 S N -0.736 114.897 115.700 -0.112 0.000 2.414 79 S HA -0.070 4.400 4.470 -0.000 0.000 0.227 79 S C 1.819 176.299 174.600 -0.200 0.000 1.022 79 S CA 1.283 59.410 58.200 -0.121 0.000 0.958 79 S CB -0.238 62.908 63.200 -0.090 0.000 0.797 79 S HN 0.586 nan 8.310 nan 0.000 0.493 80 K N 1.617 121.816 120.400 -0.335 0.000 2.057 80 K HA 0.191 4.511 4.320 -0.000 0.000 0.206 80 K C 2.507 178.687 176.600 -0.700 0.000 1.050 80 K CA 1.080 56.997 56.287 -0.617 0.000 0.935 80 K CB -0.497 31.393 32.500 -1.016 0.000 0.715 80 K HN 0.470 nan 8.250 nan 0.000 0.439 81 A N 1.637 124.147 122.820 -0.515 0.000 1.877 81 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 81 A C 1.946 179.487 177.584 -0.073 0.000 1.186 81 A CA 1.853 53.794 52.037 -0.161 0.000 0.620 81 A CB -0.739 18.272 19.000 0.018 0.000 0.822 81 A HN 0.260 nan 8.150 nan 0.000 0.443 82 N N 0.630 119.277 118.700 -0.089 0.000 2.011 82 N HA -0.200 4.540 4.740 -0.000 0.000 0.199 82 N C 1.196 176.683 175.510 -0.038 0.000 1.047 82 N CA 2.135 55.153 53.050 -0.053 0.000 0.863 82 N CB -0.462 37.987 38.487 -0.064 0.000 1.056 82 N HN 0.429 nan 8.380 nan 0.000 0.427 83 D N -0.387 119.967 120.400 -0.077 0.000 2.158 83 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 83 D C 1.586 177.882 176.300 -0.007 0.000 0.995 83 D CA 1.476 55.447 54.000 -0.049 0.000 0.846 83 D CB -0.498 40.252 40.800 -0.085 0.000 0.941 83 D HN 0.471 nan 8.370 nan 0.000 0.456 84 A N -0.358 122.460 122.820 -0.004 0.000 2.021 84 A HA 0.388 4.708 4.320 -0.000 0.000 0.216 84 A C 1.936 179.575 177.584 0.093 0.000 1.163 84 A CA 1.566 53.651 52.037 0.078 0.000 0.676 84 A CB 0.236 19.354 19.000 0.196 0.000 0.818 84 A HN 0.237 nan 8.150 nan 0.000 0.453 85 A N -3.302 119.580 122.820 0.104 0.000 2.425 85 A HA 0.467 4.787 4.320 -0.000 0.000 0.201 85 A C 1.549 179.274 177.584 0.235 0.000 1.431 85 A CA 0.968 53.085 52.037 0.133 0.000 1.066 85 A CB -0.297 18.773 19.000 0.116 0.000 1.318 85 A HN 1.863 nan 8.150 nan 0.000 0.534 86 G N -0.353 108.540 108.800 0.155 0.000 2.160 86 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.244 86 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.244 86 G C -0.300 174.578 174.900 -0.038 0.000 1.022 86 G CA 0.749 45.886 45.100 0.063 0.000 0.741 86 G HN 0.932 nan 8.290 nan 0.000 0.508 87 D N -2.729 117.683 120.400 0.020 0.000 2.807 87 D HA 0.557 5.197 4.640 -0.000 0.000 0.279 87 D C 0.868 177.183 176.300 0.025 0.000 1.247 87 D CA 1.318 55.322 54.000 0.006 0.000 0.749 87 D CB 0.251 41.072 40.800 0.035 0.000 1.264 87 D HN 1.430 nan 8.370 nan 0.000 0.421 88 G N 0.164 108.975 108.800 0.018 0.000 2.143 88 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.249 88 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.249 88 G C 1.001 175.915 174.900 0.023 0.000 0.981 88 G CA 1.764 46.880 45.100 0.027 0.000 0.665 88 G HN 1.000 nan 8.290 nan 0.000 0.528 89 T N -3.063 111.495 114.554 0.006 0.000 2.867 89 T HA -0.044 4.306 4.350 -0.000 0.000 0.268 89 T C 2.210 176.913 174.700 0.004 0.000 1.057 89 T CA 2.497 64.596 62.100 -0.001 0.000 1.136 89 T CB -0.400 68.456 68.868 -0.019 0.000 0.874 89 T HN 0.298 nan 8.240 nan 0.000 0.466 90 T N 1.966 116.522 114.554 0.004 0.000 2.732 90 T HA -0.055 4.295 4.350 -0.000 0.000 0.261 90 T C 2.248 176.956 174.700 0.013 0.000 1.040 90 T CA 1.732 63.835 62.100 0.005 0.000 1.145 90 T CB -1.009 67.860 68.868 0.002 0.000 0.866 90 T HN 0.482 nan 8.240 nan 0.000 0.427 91 T N 2.457 117.021 114.554 0.017 0.000 2.620 91 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 91 T C 2.339 177.057 174.700 0.030 0.000 1.044 91 T CA 1.604 63.718 62.100 0.023 0.000 1.161 91 T CB -0.766 68.118 68.868 0.027 0.000 0.862 91 T HN 0.454 nan 8.240 nan 0.000 0.438 92 A N 1.027 123.869 122.820 0.038 0.000 1.908 92 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 92 A C 2.593 180.201 177.584 0.040 0.000 1.181 92 A CA 2.351 54.419 52.037 0.052 0.000 0.627 92 A CB -1.281 17.761 19.000 0.069 0.000 0.818 92 A HN 0.521 nan 8.150 nan 0.000 0.445 93 T N -0.590 113.980 114.554 0.026 0.000 2.777 93 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 93 T C 1.991 176.703 174.700 0.019 0.000 1.040 93 T CA 1.588 63.699 62.100 0.020 0.000 1.141 93 T CB -0.614 68.260 68.868 0.010 0.000 0.868 93 T HN 0.582 nan 8.240 nan 0.000 0.444 94 V N 1.294 121.219 119.914 0.018 0.000 2.343 94 V HA -0.115 4.005 4.120 -0.000 0.000 0.247 94 V C 2.186 178.292 176.094 0.019 0.000 1.051 94 V CA 1.572 63.882 62.300 0.016 0.000 1.036 94 V CB -0.890 30.942 31.823 0.014 0.000 0.654 94 V HN 0.482 nan 8.190 nan 0.000 0.451 95 L N 0.662 121.899 121.223 0.024 0.000 2.012 95 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 95 L C 3.054 179.940 176.870 0.026 0.000 1.073 95 L CA 2.006 56.861 54.840 0.025 0.000 0.748 95 L CB -1.034 41.044 42.059 0.031 0.000 0.891 95 L HN 0.463 nan 8.230 nan 0.000 0.431 96 A N -0.501 122.338 122.820 0.031 0.000 1.883 96 A HA -0.318 4.002 4.320 -0.000 0.000 0.217 96 A C 2.283 179.881 177.584 0.023 0.000 1.186 96 A CA 2.130 54.185 52.037 0.030 0.000 0.624 96 A CB -0.709 18.312 19.000 0.035 0.000 0.822 96 A HN 0.554 nan 8.150 nan 0.000 0.444 97 Q N -0.546 119.266 119.800 0.019 0.000 2.084 97 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 97 Q C 2.159 178.167 176.000 0.014 0.000 0.978 97 Q CA 1.687 57.499 55.803 0.016 0.000 0.844 97 Q CB -0.378 28.368 28.738 0.013 0.000 0.898 97 Q HN 0.572 nan 8.270 nan 0.000 0.426 98 A N 0.925 123.753 122.820 0.014 0.000 1.902 98 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 98 A C 2.011 179.602 177.584 0.013 0.000 1.181 98 A CA 1.474 53.518 52.037 0.013 0.000 0.623 98 A CB -0.664 18.343 19.000 0.013 0.000 0.818 98 A HN 0.494 nan 8.150 nan 0.000 0.443 99 I N -0.464 120.115 120.570 0.015 0.000 2.179 99 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 99 I C 2.302 178.427 176.117 0.014 0.000 1.088 99 I CA 1.314 62.622 61.300 0.014 0.000 1.357 99 I CB -0.339 37.670 38.000 0.015 0.000 1.051 99 I HN 0.283 nan 8.210 nan 0.000 0.409 100 I N 0.192 120.771 120.570 0.015 0.000 2.226 100 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 100 I C 2.580 178.704 176.117 0.013 0.000 1.100 100 I CA 1.466 62.775 61.300 0.015 0.000 1.374 100 I CB -0.548 37.462 38.000 0.017 0.000 1.057 100 I HN 0.236 nan 8.210 nan 0.000 0.413 101 T N 0.284 114.845 114.554 0.012 0.000 2.622 101 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 101 T C 1.812 176.517 174.700 0.009 0.000 1.047 101 T CA 1.380 63.486 62.100 0.010 0.000 1.159 101 T CB -0.146 68.727 68.868 0.009 0.000 0.863 101 T HN 0.299 nan 8.240 nan 0.000 0.422 102 E N 0.448 120.653 120.200 0.008 0.000 2.158 102 E HA 0.040 4.390 4.350 -0.000 0.000 0.191 102 E C 2.512 179.117 176.600 0.008 0.000 0.982 102 E CA 0.740 57.145 56.400 0.007 0.000 0.823 102 E CB -0.649 29.055 29.700 0.007 0.000 0.766 102 E HN 0.557 nan 8.360 nan 0.000 0.468 103 G N 1.574 110.379 108.800 0.009 0.000 2.421 103 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 103 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 103 G C 1.730 176.636 174.900 0.009 0.000 1.171 103 G CA 0.450 45.555 45.100 0.009 0.000 0.775 103 G HN 0.158 nan 8.290 nan 0.000 0.543 104 L N -0.225 121.004 121.223 0.010 0.000 2.093 104 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 104 L C 2.919 179.794 176.870 0.007 0.000 1.085 104 L CA 1.007 55.853 54.840 0.009 0.000 0.755 104 L CB -0.310 41.754 42.059 0.009 0.000 0.904 104 L HN 0.161 nan 8.230 nan 0.000 0.435 105 K N 0.216 120.620 120.400 0.006 0.000 2.063 105 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 105 K C 2.249 178.851 176.600 0.005 0.000 1.048 105 K CA 1.485 57.775 56.287 0.005 0.000 0.928 105 K CB -0.243 32.260 32.500 0.005 0.000 0.713 105 K HN 0.299 nan 8.250 nan 0.000 0.442 106 A N 0.830 123.653 122.820 0.005 0.000 1.883 106 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 106 A C 2.327 179.914 177.584 0.006 0.000 1.186 106 A CA 1.581 53.621 52.037 0.005 0.000 0.624 106 A CB -0.737 18.266 19.000 0.006 0.000 0.822 106 A HN 0.094 nan 8.150 nan 0.000 0.444 107 V N -0.112 119.806 119.914 0.007 0.000 2.332 107 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 107 V C 3.031 179.129 176.094 0.007 0.000 1.055 107 V CA 2.061 64.366 62.300 0.008 0.000 1.038 107 V CB -1.201 30.628 31.823 0.010 0.000 0.651 107 V HN 0.631 nan 8.190 nan 0.000 0.450 108 A N -0.302 122.521 122.820 0.005 0.000 2.019 108 A HA 0.004 4.324 4.320 -0.000 0.000 0.219 108 A C 2.212 179.798 177.584 0.003 0.000 1.164 108 A CA 1.687 53.726 52.037 0.004 0.000 0.644 108 A CB -0.508 18.494 19.000 0.003 0.000 0.805 108 A HN 0.603 nan 8.150 nan 0.000 0.449 109 A N -1.958 120.864 122.820 0.003 0.000 2.238 109 A HA 0.424 4.744 4.320 -0.000 0.000 0.208 109 A C 1.648 179.233 177.584 0.002 0.000 1.177 109 A CA 1.175 53.213 52.037 0.002 0.000 0.804 109 A CB -0.731 18.271 19.000 0.002 0.000 0.823 109 A HN 1.807 nan 8.150 nan 0.000 0.482 110 G N -1.751 107.051 108.800 0.003 0.000 2.163 110 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.213 110 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.213 110 G C 0.116 175.018 174.900 0.004 0.000 0.991 110 G CA 0.121 45.223 45.100 0.003 0.000 0.653 110 G HN 0.349 nan 8.290 nan 0.000 0.518 111 M N 0.710 120.312 119.600 0.004 0.000 2.255 111 M HA 0.290 4.770 4.480 -0.000 0.000 0.336 111 M C 0.631 176.935 176.300 0.006 0.000 1.135 111 M CA -0.646 54.656 55.300 0.005 0.000 1.145 111 M CB 0.601 33.203 32.600 0.004 0.000 1.473 111 M HN 0.148 nan 8.290 nan 0.000 0.462 112 N N 2.615 121.318 118.700 0.006 0.000 2.431 112 N HA 0.103 4.843 4.740 -0.000 0.000 0.265 112 N C -2.139 173.376 175.510 0.008 0.000 1.184 112 N CA -1.346 51.709 53.050 0.007 0.000 0.943 112 N CB 1.131 39.621 38.487 0.006 0.000 1.080 112 N HN 0.280 nan 8.380 nan 0.000 0.477 113 P HA -0.117 nan 4.420 nan 0.000 0.215 113 P C 1.608 178.914 177.300 0.010 0.000 1.153 113 P CA 1.410 64.517 63.100 0.011 0.000 0.853 113 P CB 0.225 31.934 31.700 0.015 0.000 0.788 114 M N -1.049 118.557 119.600 0.010 0.000 2.175 114 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 114 M C 1.431 177.735 176.300 0.006 0.000 1.063 114 M CA 1.559 56.864 55.300 0.008 0.000 1.119 114 M CB -1.573 31.032 32.600 0.009 0.000 1.377 114 M HN -0.016 nan 8.290 nan 0.000 0.415 115 D N 0.945 121.348 120.400 0.006 0.000 2.144 115 D HA -0.077 4.563 4.640 -0.000 0.000 0.199 115 D C 2.307 178.609 176.300 0.004 0.000 0.984 115 D CA 1.071 55.073 54.000 0.004 0.000 0.834 115 D CB -0.222 40.580 40.800 0.004 0.000 0.955 115 D HN 0.333 nan 8.370 nan 0.000 0.465 116 L N 0.730 121.956 121.223 0.005 0.000 2.017 116 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 116 L C 2.553 179.426 176.870 0.005 0.000 1.073 116 L CA 1.223 56.066 54.840 0.005 0.000 0.745 116 L CB -0.364 41.699 42.059 0.007 0.000 0.894 116 L HN -0.021 nan 8.230 nan 0.000 0.432 117 K N 0.445 120.848 120.400 0.006 0.000 2.057 117 K HA -0.246 4.074 4.320 -0.000 0.000 0.207 117 K C 2.341 178.943 176.600 0.002 0.000 1.049 117 K CA 1.489 57.779 56.287 0.005 0.000 0.931 117 K CB -0.051 32.453 32.500 0.006 0.000 0.714 117 K HN 0.059 nan 8.250 nan 0.000 0.440 118 R N -0.131 120.370 120.500 0.002 0.000 2.081 118 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 118 R C 2.277 178.577 176.300 -0.001 0.000 1.131 118 R CA 1.784 57.884 56.100 0.000 0.000 0.960 118 R CB -0.613 29.688 30.300 0.001 0.000 0.856 118 R HN 0.403 nan 8.270 nan 0.000 0.436 119 G N 0.815 109.615 108.800 0.001 0.000 2.421 119 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 119 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 119 G C 1.431 176.331 174.900 -0.000 0.000 1.171 119 G CA 1.037 46.137 45.100 0.000 0.000 0.775 119 G HN 0.288 nan 8.290 nan 0.000 0.543 120 I N 1.035 121.605 120.570 0.000 0.000 2.163 120 I HA -0.166 4.004 4.170 -0.000 0.000 0.243 120 I C 2.270 178.384 176.117 -0.004 0.000 1.085 120 I CA 1.405 62.705 61.300 -0.000 0.000 1.347 120 I CB -0.157 37.844 38.000 0.002 0.000 1.044 120 I HN 0.042 nan 8.210 nan 0.000 0.408 121 D N 0.465 120.862 120.400 -0.006 0.000 2.178 121 D HA -0.187 4.453 4.640 -0.000 0.000 0.202 121 D C 2.066 178.360 176.300 -0.011 0.000 0.974 121 D CA 1.022 55.015 54.000 -0.011 0.000 0.841 121 D CB -0.150 40.643 40.800 -0.011 0.000 0.953 121 D HN 0.319 nan 8.370 nan 0.000 0.478 122 K N 0.692 121.088 120.400 -0.007 0.000 2.062 122 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 122 K C 2.017 178.613 176.600 -0.006 0.000 1.051 122 K CA 1.067 57.350 56.287 -0.007 0.000 0.941 122 K CB 0.014 32.512 32.500 -0.004 0.000 0.719 122 K HN -0.015 nan 8.250 nan 0.000 0.440 123 A N 0.801 123.618 122.820 -0.005 0.000 1.908 123 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 123 A C 2.228 179.808 177.584 -0.006 0.000 1.181 123 A CA 1.722 53.757 52.037 -0.003 0.000 0.627 123 A CB -0.673 18.327 19.000 -0.001 0.000 0.818 123 A HN 0.187 nan 8.150 nan 0.000 0.445 124 V N -0.521 119.387 119.914 -0.010 0.000 2.307 124 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 124 V C 2.740 178.822 176.094 -0.019 0.000 1.045 124 V CA 2.411 64.701 62.300 -0.016 0.000 1.024 124 V CB -1.215 30.594 31.823 -0.023 0.000 0.651 124 V HN 0.607 nan 8.190 nan 0.000 0.449 125 T N 0.194 114.736 114.554 -0.019 0.000 2.665 125 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 125 T C 1.883 176.575 174.700 -0.013 0.000 1.035 125 T CA 1.961 64.050 62.100 -0.019 0.000 1.151 125 T CB -0.283 68.575 68.868 -0.016 0.000 0.862 125 T HN 0.295 nan 8.240 nan 0.000 0.438 126 V N 1.350 121.259 119.914 -0.009 0.000 2.453 126 V HA -0.049 4.071 4.120 -0.000 0.000 0.247 126 V C 2.817 178.909 176.094 -0.003 0.000 1.048 126 V CA 1.325 63.622 62.300 -0.005 0.000 1.049 126 V CB -1.129 30.692 31.823 -0.003 0.000 0.672 126 V HN 0.518 nan 8.190 nan 0.000 0.457 127 A N -0.119 122.699 122.820 -0.004 0.000 1.940 127 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 127 A C 2.396 179.978 177.584 -0.002 0.000 1.176 127 A CA 2.111 54.147 52.037 -0.001 0.000 0.631 127 A CB -0.586 18.413 19.000 -0.001 0.000 0.814 127 A HN 0.335 nan 8.150 nan 0.000 0.446 128 V N -0.067 119.842 119.914 -0.008 0.000 2.379 128 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 128 V C 2.354 178.444 176.094 -0.006 0.000 1.044 128 V CA 2.155 64.449 62.300 -0.010 0.000 1.036 128 V CB -0.808 31.002 31.823 -0.021 0.000 0.664 128 V HN 0.660 nan 8.190 nan 0.000 0.453 129 E N -0.022 120.174 120.200 -0.006 0.000 2.097 129 E HA -0.314 4.036 4.350 -0.000 0.000 0.196 129 E C 2.178 178.779 176.600 0.001 0.000 1.000 129 E CA 1.680 58.078 56.400 -0.003 0.000 0.804 129 E CB -0.117 29.581 29.700 -0.003 0.000 0.740 129 E HN 0.563 nan 8.360 nan 0.000 0.454 130 E N 0.571 120.772 120.200 0.002 0.000 2.158 130 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 130 E C 1.765 178.370 176.600 0.008 0.000 0.982 130 E CA 0.354 56.757 56.400 0.005 0.000 0.823 130 E CB -0.066 29.637 29.700 0.006 0.000 0.766 130 E HN 0.085 nan 8.360 nan 0.000 0.468 131 L N 1.011 122.238 121.223 0.007 0.000 2.083 131 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 131 L C 1.849 178.724 176.870 0.009 0.000 1.083 131 L CA 1.794 56.639 54.840 0.009 0.000 0.752 131 L CB -0.411 41.652 42.059 0.008 0.000 0.899 131 L HN 0.063 nan 8.230 nan 0.000 0.433 132 K N -1.153 119.250 120.400 0.006 0.000 2.097 132 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 132 K C 2.006 178.610 176.600 0.007 0.000 1.049 132 K CA 1.269 57.559 56.287 0.006 0.000 0.933 132 K CB -0.266 32.236 32.500 0.003 0.000 0.717 132 K HN 0.391 nan 8.250 nan 0.000 0.442 133 A N 1.067 123.892 122.820 0.007 0.000 1.968 133 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 133 A C 1.952 179.543 177.584 0.011 0.000 1.169 133 A CA 0.927 52.969 52.037 0.008 0.000 0.638 133 A CB -0.336 18.668 19.000 0.008 0.000 0.812 133 A HN 0.145 nan 8.150 nan 0.000 0.446 134 L N -0.360 120.870 121.223 0.013 0.000 2.478 134 L HA 0.041 4.381 4.340 -0.000 0.000 0.223 134 L C 1.210 178.090 176.870 0.016 0.000 1.140 134 L CA -0.026 54.824 54.840 0.016 0.000 0.842 134 L CB -0.256 41.815 42.059 0.019 0.000 0.953 134 L HN 0.275 nan 8.230 nan 0.000 0.452 135 S N 0.125 115.833 115.700 0.013 0.000 2.549 135 S HA 0.173 4.643 4.470 -0.000 0.000 0.283 135 S C -0.101 174.506 174.600 0.012 0.000 1.320 135 S CA -0.404 57.803 58.200 0.013 0.000 1.058 135 S CB 0.793 63.999 63.200 0.010 0.000 0.882 135 S HN -0.060 nan 8.310 nan 0.000 0.498 136 V N 8.521 128.443 119.914 0.012 0.000 2.394 136 V HA 0.361 4.481 4.120 -0.000 0.000 0.282 136 V C -2.037 174.063 176.094 0.009 0.000 1.031 136 V CA -1.874 60.433 62.300 0.011 0.000 0.881 136 V CB 1.314 33.145 31.823 0.013 0.000 0.982 136 V HN 0.744 nan 8.190 nan 0.000 0.451 137 P HA 0.137 nan 4.420 nan 0.000 0.272 137 P C -0.617 176.686 177.300 0.005 0.000 1.223 137 P CA -0.260 62.843 63.100 0.006 0.000 0.784 137 P CB 0.485 32.188 31.700 0.005 0.000 0.923 138 C N 2.541 121.843 119.300 0.004 0.000 2.816 138 C HA 0.449 4.909 4.460 -0.000 0.000 0.255 138 C C 1.218 176.209 174.990 0.001 0.000 1.141 138 C CA 0.145 59.165 59.018 0.003 0.000 1.554 138 C CB -1.506 26.236 27.740 0.003 0.000 1.778 138 C HN 0.535 nan 8.230 nan 0.000 0.429 139 S N 1.696 117.397 115.700 0.002 0.000 2.641 139 S HA 0.122 4.592 4.470 -0.000 0.000 0.239 139 S C 0.332 174.933 174.600 0.001 0.000 1.081 139 S CA 0.288 58.488 58.200 0.001 0.000 0.904 139 S CB 0.114 63.315 63.200 0.002 0.000 0.803 139 S HN 0.951 nan 8.310 nan 0.000 0.510 140 D N 0.758 121.159 120.400 0.002 0.000 2.388 140 D HA 0.338 4.978 4.640 -0.000 0.000 0.254 140 D C 1.027 177.327 176.300 0.001 0.000 1.111 140 D CA -0.131 53.870 54.000 0.001 0.000 0.993 140 D CB 0.543 41.344 40.800 0.002 0.000 1.118 140 D HN 0.091 nan 8.370 nan 0.000 0.502 141 S N -0.703 114.997 115.700 0.001 0.000 2.453 141 S HA -0.182 4.288 4.470 -0.000 0.000 0.231 141 S C 1.602 176.203 174.600 0.002 0.000 1.005 141 S CA 0.605 58.806 58.200 0.001 0.000 0.949 141 S CB -0.426 62.775 63.200 0.001 0.000 0.774 141 S HN 0.526 nan 8.310 nan 0.000 0.510 142 K N 1.717 122.118 120.400 0.002 0.000 2.009 142 K HA -0.082 4.238 4.320 -0.000 0.000 0.210 142 K C 2.402 179.004 176.600 0.003 0.000 1.049 142 K CA 1.373 57.662 56.287 0.002 0.000 0.929 142 K CB -0.753 31.748 32.500 0.003 0.000 0.714 142 K HN 0.437 nan 8.250 nan 0.000 0.440 143 A N 1.471 124.293 122.820 0.003 0.000 1.892 143 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 143 A C 2.139 179.724 177.584 0.003 0.000 1.188 143 A CA 1.836 53.875 52.037 0.003 0.000 0.631 143 A CB -0.720 18.283 19.000 0.004 0.000 0.822 143 A HN 0.392 nan 8.150 nan 0.000 0.447 144 I N -0.328 120.244 120.570 0.002 0.000 2.208 144 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 144 I C 2.915 179.034 176.117 0.003 0.000 1.097 144 I CA 1.171 62.472 61.300 0.002 0.000 1.363 144 I CB -0.280 37.720 38.000 0.000 0.000 1.051 144 I HN 0.378 nan 8.210 nan 0.000 0.413 145 A N -0.233 122.588 122.820 0.003 0.000 1.929 145 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 145 A C 2.263 179.849 177.584 0.003 0.000 1.176 145 A CA 1.260 53.298 52.037 0.003 0.000 0.628 145 A CB -0.516 18.485 19.000 0.002 0.000 0.816 145 A HN 0.417 nan 8.150 nan 0.000 0.444 146 Q N -0.514 119.288 119.800 0.003 0.000 2.061 146 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 146 Q C 2.122 178.125 176.000 0.004 0.000 0.984 146 Q CA 1.906 57.711 55.803 0.003 0.000 0.846 146 Q CB -0.261 28.479 28.738 0.003 0.000 0.902 146 Q HN 0.493 nan 8.270 nan 0.000 0.421 147 V N -0.282 119.635 119.914 0.005 0.000 2.379 147 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 147 V C 2.151 178.251 176.094 0.009 0.000 1.044 147 V CA 1.850 64.154 62.300 0.007 0.000 1.036 147 V CB -1.002 30.825 31.823 0.008 0.000 0.664 147 V HN 0.540 nan 8.190 nan 0.000 0.453 148 G N -0.417 108.388 108.800 0.008 0.000 2.418 148 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 148 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 148 G C 1.694 176.599 174.900 0.008 0.000 1.158 148 G CA 1.549 46.655 45.100 0.010 0.000 0.771 148 G HN 0.455 nan 8.290 nan 0.000 0.545 149 T N 1.368 115.925 114.554 0.005 0.000 2.652 149 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 149 T C 2.386 177.087 174.700 0.002 0.000 1.039 149 T CA 1.168 63.270 62.100 0.003 0.000 1.153 149 T CB -0.199 68.669 68.868 0.001 0.000 0.863 149 T HN 0.242 nan 8.240 nan 0.000 0.428 150 I N 1.335 121.906 120.570 0.002 0.000 2.226 150 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 150 I C 2.423 178.541 176.117 0.002 0.000 1.100 150 I CA 1.091 62.391 61.300 -0.000 0.000 1.374 150 I CB -0.285 37.715 38.000 0.000 0.000 1.057 150 I HN 0.193 nan 8.210 nan 0.000 0.413 151 S N 0.636 116.340 115.700 0.007 0.000 2.515 151 S HA 0.084 4.554 4.470 -0.000 0.000 0.231 151 S C 1.503 176.108 174.600 0.008 0.000 0.987 151 S CA 0.748 58.955 58.200 0.011 0.000 0.936 151 S CB -0.075 63.138 63.200 0.022 0.000 0.766 151 S HN 0.478 nan 8.310 nan 0.000 0.528 152 A N 1.557 124.380 122.820 0.005 0.000 2.610 152 A HA 0.485 4.805 4.320 -0.000 0.000 0.286 152 A C 0.649 178.232 177.584 -0.001 0.000 1.306 152 A CA -0.461 51.578 52.037 0.003 0.000 0.942 152 A CB -0.611 18.392 19.000 0.004 0.000 1.112 152 A HN 0.323 nan 8.150 nan 0.000 0.527 153 N N -0.287 118.411 118.700 -0.003 0.000 2.754 153 N HA -0.219 4.521 4.740 -0.000 0.000 0.248 153 N C 0.183 175.689 175.510 -0.007 0.000 1.093 153 N CA 1.153 54.199 53.050 -0.007 0.000 0.699 153 N CB -1.886 36.596 38.487 -0.007 0.000 1.016 153 N HN 0.563 nan 8.380 nan 0.000 0.552 154 S N -1.697 114.000 115.700 -0.006 0.000 3.593 154 S HA -0.221 4.249 4.470 -0.000 0.000 0.301 154 S C -0.417 174.181 174.600 -0.004 0.000 1.209 154 S CA 0.746 58.942 58.200 -0.006 0.000 0.878 154 S CB -1.105 62.090 63.200 -0.008 0.000 1.000 154 S HN 0.719 nan 8.310 nan 0.000 0.578 155 D N 1.440 121.838 120.400 -0.003 0.000 2.441 155 D HA 0.276 4.916 4.640 -0.000 0.000 0.221 155 D C 1.101 177.401 176.300 -0.001 0.000 1.156 155 D CA -0.268 53.731 54.000 -0.002 0.000 0.896 155 D CB 0.427 41.227 40.800 -0.001 0.000 1.028 155 D HN 0.462 nan 8.370 nan 0.000 0.509 156 E N 1.138 121.337 120.200 -0.001 0.000 2.204 156 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 156 E C 1.409 178.009 176.600 0.000 0.000 0.990 156 E CA 0.969 57.369 56.400 -0.000 0.000 0.821 156 E CB 0.275 29.975 29.700 -0.001 0.000 0.750 156 E HN 0.477 nan 8.360 nan 0.000 0.477 157 T N 0.873 115.427 114.554 0.000 0.000 2.635 157 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 157 T C 2.067 176.768 174.700 0.002 0.000 1.040 157 T CA 1.452 63.553 62.100 0.001 0.000 1.156 157 T CB -0.252 68.616 68.868 0.000 0.000 0.863 157 T HN 0.019 nan 8.240 nan 0.000 0.430 158 V N 1.176 121.092 119.914 0.002 0.000 2.515 158 V HA -0.063 4.057 4.120 -0.000 0.000 0.250 158 V C 2.773 178.870 176.094 0.004 0.000 1.058 158 V CA 1.741 64.043 62.300 0.004 0.000 1.064 158 V CB -1.350 30.476 31.823 0.005 0.000 0.675 158 V HN 0.603 nan 8.190 nan 0.000 0.461 159 G N -0.314 108.489 108.800 0.004 0.000 2.414 159 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.215 159 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.215 159 G C 1.628 176.530 174.900 0.003 0.000 1.188 159 G CA 0.976 46.078 45.100 0.004 0.000 0.783 159 G HN 0.448 nan 8.290 nan 0.000 0.537 160 K N -0.030 120.371 120.400 0.002 0.000 2.044 160 K HA -0.030 4.290 4.320 -0.000 0.000 0.210 160 K C 2.562 179.163 176.600 0.002 0.000 1.049 160 K CA 1.073 57.361 56.287 0.002 0.000 0.927 160 K CB -0.322 32.178 32.500 0.001 0.000 0.713 160 K HN 0.325 nan 8.250 nan 0.000 0.443 161 L N 0.698 121.922 121.223 0.002 0.000 2.012 161 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 161 L C 2.441 179.313 176.870 0.003 0.000 1.073 161 L CA 1.376 56.217 54.840 0.002 0.000 0.748 161 L CB -0.301 41.760 42.059 0.003 0.000 0.891 161 L HN 0.267 nan 8.230 nan 0.000 0.431 162 I N -0.621 119.951 120.570 0.004 0.000 2.252 162 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 162 I C 2.724 178.842 176.117 0.002 0.000 1.102 162 I CA 1.044 62.347 61.300 0.004 0.000 1.385 162 I CB -0.411 37.593 38.000 0.006 0.000 1.064 162 I HN 0.184 nan 8.210 nan 0.000 0.414 163 A N 0.372 123.193 122.820 0.002 0.000 1.933 163 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 163 A C 2.218 179.802 177.584 0.000 0.000 1.175 163 A CA 1.706 53.744 52.037 0.001 0.000 0.628 163 A CB -0.505 18.496 19.000 0.001 0.000 0.814 163 A HN 0.454 nan 8.150 nan 0.000 0.444 164 E N -0.401 119.800 120.200 0.001 0.000 2.072 164 E HA -0.023 4.327 4.350 -0.000 0.000 0.190 164 E C 2.380 178.981 176.600 0.000 0.000 0.982 164 E CA 0.752 57.152 56.400 0.001 0.000 0.803 164 E CB -0.275 29.425 29.700 0.001 0.000 0.755 164 E HN 0.598 nan 8.360 nan 0.000 0.453 165 A N 1.292 124.113 122.820 0.000 0.000 1.908 165 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 165 A C 2.157 179.741 177.584 -0.001 0.000 1.181 165 A CA 1.487 53.524 52.037 0.000 0.000 0.627 165 A CB -0.468 18.532 19.000 0.001 0.000 0.818 165 A HN 0.154 nan 8.150 nan 0.000 0.445 166 M N -1.303 118.296 119.600 -0.001 0.000 2.319 166 M HA -0.116 4.364 4.480 -0.000 0.000 0.265 166 M C 1.693 177.992 176.300 -0.002 0.000 1.068 166 M CA 1.642 56.940 55.300 -0.003 0.000 1.118 166 M CB -0.377 32.221 32.600 -0.003 0.000 1.395 166 M HN 0.466 nan 8.290 nan 0.000 0.435 167 D N 0.447 120.847 120.400 -0.001 0.000 2.183 167 D HA -0.114 4.526 4.640 -0.000 0.000 0.203 167 D C 2.025 178.325 176.300 -0.000 0.000 0.969 167 D CA 1.034 55.034 54.000 -0.001 0.000 0.842 167 D CB 0.335 41.135 40.800 -0.000 0.000 0.957 167 D HN 0.027 nan 8.370 nan 0.000 0.484 168 K N -0.146 120.254 120.400 -0.000 0.000 2.007 168 K HA -0.019 4.301 4.320 -0.000 0.000 0.206 168 K C 1.988 178.588 176.600 -0.000 0.000 1.047 168 K CA 1.228 57.515 56.287 -0.000 0.000 0.937 168 K CB -0.343 32.157 32.500 0.000 0.000 0.718 168 K HN 0.269 nan 8.250 nan 0.000 0.438 169 V N -2.851 117.063 119.914 -0.000 0.000 3.621 169 V HA 0.386 4.506 4.120 -0.000 0.000 0.285 169 V C 0.585 176.679 176.094 -0.001 0.000 1.346 169 V CA 0.182 62.482 62.300 0.000 0.000 1.104 169 V CB -0.339 31.485 31.823 0.001 0.000 0.913 169 V HN 0.366 nan 8.190 nan 0.000 0.432 170 G N 2.079 110.878 108.800 -0.002 0.000 2.690 170 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 170 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 170 G C 0.135 175.033 174.900 -0.004 0.000 1.277 170 G CA -0.113 44.986 45.100 -0.002 0.000 0.799 170 G HN 0.664 nan 8.290 nan 0.000 0.613 171 K N -0.265 120.132 120.400 -0.005 0.000 2.362 171 K HA 0.033 4.353 4.320 -0.000 0.000 0.200 171 K C 0.936 177.529 176.600 -0.011 0.000 1.046 171 K CA 1.578 57.861 56.287 -0.007 0.000 0.952 171 K CB 0.285 32.781 32.500 -0.007 0.000 0.753 171 K HN 0.470 nan 8.250 nan 0.000 0.466 172 E N 1.550 121.745 120.200 -0.008 0.000 2.451 172 E HA 0.103 4.453 4.350 -0.000 0.000 0.194 172 E C 0.537 177.133 176.600 -0.006 0.000 1.027 172 E CA -0.037 56.358 56.400 -0.009 0.000 0.914 172 E CB 0.876 30.573 29.700 -0.005 0.000 1.054 172 E HN 0.405 nan 8.360 nan 0.000 0.461 173 G N 0.594 109.391 108.800 -0.006 0.000 2.522 173 G HA2 0.347 4.307 3.960 -0.000 0.000 0.304 173 G HA3 0.347 4.307 3.960 -0.000 0.000 0.304 173 G C -0.013 174.885 174.900 -0.004 0.000 1.210 173 G CA -0.506 44.593 45.100 -0.002 0.000 0.960 173 G HN -0.029 nan 8.290 nan 0.000 0.497 174 V N 0.710 120.624 119.914 -0.000 0.000 2.488 174 V HA 0.340 4.460 4.120 -0.000 0.000 0.277 174 V C 0.129 176.222 176.094 -0.002 0.000 1.046 174 V CA 0.093 62.392 62.300 -0.002 0.000 0.986 174 V CB 0.542 32.367 31.823 0.003 0.000 0.989 174 V HN 0.421 nan 8.190 nan 0.000 0.475 175 I N 4.308 124.875 120.570 -0.005 0.000 2.499 175 I HA 0.476 4.646 4.170 -0.000 0.000 0.288 175 I C 0.021 176.138 176.117 0.000 0.000 1.048 175 I CA -0.156 61.143 61.300 -0.002 0.000 1.062 175 I CB 2.314 40.313 38.000 -0.002 0.000 1.238 175 I HN 0.571 nan 8.210 nan 0.000 0.426 176 T N 4.743 119.298 114.554 0.002 0.000 2.940 176 T HA 0.691 5.041 4.350 -0.000 0.000 0.288 176 T C -0.438 174.265 174.700 0.005 0.000 1.045 176 T CA -0.709 61.393 62.100 0.003 0.000 1.018 176 T CB 2.493 71.362 68.868 0.000 0.000 1.151 176 T HN 0.445 nan 8.240 nan 0.000 0.529 177 V N -1.160 118.757 119.914 0.007 0.000 2.789 177 V HA 0.843 4.963 4.120 -0.000 0.000 0.311 177 V C -1.099 174.997 176.094 0.003 0.000 1.073 177 V CA -0.806 61.498 62.300 0.006 0.000 0.921 177 V CB 1.851 33.679 31.823 0.009 0.000 1.009 177 V HN 0.943 nan 8.190 nan 0.000 0.426 178 E N 1.492 121.692 120.200 0.001 0.000 2.433 178 E HA 0.421 4.771 4.350 -0.000 0.000 0.273 178 E C -1.619 174.981 176.600 -0.001 0.000 0.950 178 E CA -1.063 55.337 56.400 -0.001 0.000 0.796 178 E CB 1.816 31.514 29.700 -0.003 0.000 1.330 178 E HN 0.806 nan 8.360 nan 0.000 0.455 179 D N 0.978 121.376 120.400 -0.003 0.000 2.443 179 D HA 0.162 4.802 4.640 -0.000 0.000 0.239 179 D C 0.184 176.483 176.300 -0.003 0.000 1.136 179 D CA 0.407 54.406 54.000 -0.003 0.000 0.879 179 D CB 0.802 41.599 40.800 -0.004 0.000 1.195 179 D HN 0.492 nan 8.370 nan 0.000 0.443 180 G N -0.205 108.593 108.800 -0.003 0.000 2.599 180 G HA2 0.297 4.257 3.960 -0.000 0.000 0.264 180 G HA3 0.297 4.257 3.960 -0.000 0.000 0.264 180 G C 1.044 175.942 174.900 -0.004 0.000 1.200 180 G CA -0.141 44.957 45.100 -0.003 0.000 0.896 180 G HN 0.465 nan 8.290 nan 0.000 0.536 181 T N -2.633 111.919 114.554 -0.004 0.000 3.051 181 T HA 0.442 4.792 4.350 -0.000 0.000 0.255 181 T C 1.148 175.846 174.700 -0.004 0.000 1.085 181 T CA 0.997 63.094 62.100 -0.004 0.000 1.109 181 T CB 0.268 69.133 68.868 -0.004 0.000 0.921 181 T HN 1.045 nan 8.240 nan 0.000 0.488 182 G N 0.362 109.160 108.800 -0.003 0.000 2.894 182 G HA2 0.460 4.420 3.960 -0.000 0.000 0.164 182 G HA3 0.460 4.420 3.960 -0.000 0.000 0.164 182 G C -0.098 174.801 174.900 -0.002 0.000 1.180 182 G CA 0.031 45.130 45.100 -0.003 0.000 0.997 182 G HN 0.104 nan 8.290 nan 0.000 0.572 183 L N 0.073 121.294 121.223 -0.002 0.000 2.202 183 L HA 0.379 4.718 4.340 -0.000 0.000 0.205 183 L C 0.785 177.654 176.870 -0.002 0.000 1.083 183 L CA 1.175 56.013 54.840 -0.002 0.000 0.790 183 L CB -0.424 41.633 42.059 -0.002 0.000 0.942 183 L HN 0.499 nan 8.230 nan 0.000 0.452 184 Q N 0.496 120.295 119.800 -0.002 0.000 2.205 184 Q HA 0.183 4.523 4.340 -0.000 0.000 0.249 184 Q C -0.857 175.142 176.000 -0.001 0.000 0.948 184 Q CA -0.873 54.929 55.803 -0.001 0.000 0.895 184 Q CB 1.386 30.123 28.738 -0.001 0.000 1.249 184 Q HN 0.141 nan 8.270 nan 0.000 0.458 185 D N 1.838 122.238 120.400 -0.001 0.000 2.372 185 D HA 0.101 4.741 4.640 -0.000 0.000 0.243 185 D C -0.569 175.730 176.300 -0.001 0.000 1.121 185 D CA 0.398 54.398 54.000 -0.001 0.000 0.898 185 D CB 0.803 41.603 40.800 -0.000 0.000 1.202 185 D HN 0.349 nan 8.370 nan 0.000 0.428 186 E N 0.211 120.410 120.200 -0.001 0.000 2.266 186 E HA 0.515 4.865 4.350 -0.000 0.000 0.268 186 E C -1.012 175.588 176.600 -0.000 0.000 0.879 186 E CA -0.954 55.445 56.400 -0.001 0.000 0.762 186 E CB 2.476 32.175 29.700 -0.002 0.000 1.199 186 E HN 0.093 nan 8.360 nan 0.000 0.422 187 L N 3.535 124.758 121.223 -0.000 0.000 2.406 187 L HA 0.426 4.766 4.340 -0.000 0.000 0.270 187 L C -1.784 175.086 176.870 -0.000 0.000 0.982 187 L CA -0.343 54.497 54.840 -0.000 0.000 0.843 187 L CB 1.014 43.073 42.059 0.000 0.000 1.225 187 L HN 0.477 nan 8.230 nan 0.000 0.412 188 D N 3.827 124.227 120.400 -0.000 0.000 2.490 188 D HA 0.500 5.140 4.640 -0.000 0.000 0.232 188 D C -0.955 175.345 176.300 0.000 0.000 1.053 188 D CA -0.581 53.418 54.000 -0.000 0.000 0.914 188 D CB 2.257 43.056 40.800 -0.001 0.000 1.431 188 D HN 0.224 nan 8.370 nan 0.000 0.483 189 V N 0.743 120.657 119.914 0.000 0.000 2.357 189 V HA 0.429 4.549 4.120 -0.000 0.000 0.284 189 V C 0.519 176.614 176.094 0.002 0.000 1.018 189 V CA -0.728 61.573 62.300 0.001 0.000 0.841 189 V CB 1.060 32.884 31.823 0.002 0.000 0.991 189 V HN 0.606 nan 8.190 nan 0.000 0.437 190 V N 1.804 121.720 119.914 0.002 0.000 3.096 190 V HA 0.700 4.820 4.120 -0.000 0.000 0.319 190 V C -0.036 176.062 176.094 0.006 0.000 1.103 190 V CA -0.973 61.329 62.300 0.003 0.000 1.016 190 V CB 1.918 33.742 31.823 0.002 0.000 1.090 190 V HN 0.659 nan 8.190 nan 0.000 0.449 191 E N 1.272 121.475 120.200 0.007 0.000 2.344 191 E HA 0.606 4.956 4.350 -0.000 0.000 0.270 191 E C 0.255 176.864 176.600 0.015 0.000 1.021 191 E CA 0.985 57.392 56.400 0.010 0.000 0.887 191 E CB 0.852 30.558 29.700 0.010 0.000 0.997 191 E HN 1.238 nan 8.360 nan 0.000 0.429 192 G N 1.268 110.080 108.800 0.021 0.000 2.349 192 G HA2 0.492 4.452 3.960 -0.000 0.000 0.294 192 G HA3 0.492 4.452 3.960 -0.000 0.000 0.294 192 G C -1.342 173.583 174.900 0.042 0.000 1.380 192 G CA -0.730 44.389 45.100 0.031 0.000 0.811 192 G HN 0.391 nan 8.290 nan 0.000 0.519 193 M N -0.052 119.586 119.600 0.062 0.000 2.534 193 M HA 0.542 5.022 4.480 -0.000 0.000 0.280 193 M C -1.887 174.475 176.300 0.103 0.000 1.217 193 M CA -0.655 54.700 55.300 0.091 0.000 0.893 193 M CB 2.617 35.294 32.600 0.128 0.000 1.730 193 M HN 0.740 nan 8.290 nan 0.000 0.483 194 Q N 3.179 123.039 119.800 0.100 0.000 2.356 194 Q HA 0.722 5.062 4.340 -0.000 0.000 0.270 194 Q C -2.108 173.973 176.000 0.136 0.000 1.058 194 Q CA -0.655 55.171 55.803 0.037 0.000 0.802 194 Q CB 2.065 30.794 28.738 -0.014 0.000 1.303 194 Q HN 0.574 nan 8.270 nan 0.000 0.444 195 F N -0.133 119.819 119.950 0.005 0.000 2.613 195 F HA 0.493 5.020 4.527 0.000 0.000 0.314 195 F C -0.493 175.310 175.800 0.005 0.000 1.075 195 F CA -1.169 56.835 58.000 0.006 0.000 0.945 195 F CB 1.207 40.213 39.000 0.009 0.000 1.310 195 F HN 0.360 nan 8.300 nan 0.000 0.467 196 D N 2.896 123.414 120.400 0.196 0.000 2.982 196 D HA 0.109 4.749 4.640 -0.000 0.000 0.238 196 D C -0.263 176.097 176.300 0.099 0.000 1.168 196 D CA 0.333 54.382 54.000 0.082 0.000 0.947 196 D CB -0.089 40.761 40.800 0.085 0.000 1.147 196 D HN 0.283 nan 8.370 nan 0.000 0.450 197 R N 0.064 120.584 120.500 0.033 0.000 2.575 197 R HA 0.552 4.892 4.340 -0.000 0.000 0.293 197 R C 0.358 176.592 176.300 -0.109 0.000 0.983 197 R CA -0.714 55.411 56.100 0.042 0.000 0.887 197 R CB 2.196 32.657 30.300 0.269 0.000 1.184 197 R HN 0.097 nan 8.270 nan 0.000 0.445 198 G N 1.028 109.757 108.800 -0.119 0.000 2.613 198 G HA2 0.453 4.413 3.960 -0.000 0.000 0.303 198 G HA3 0.453 4.413 3.960 -0.000 0.000 0.303 198 G C -0.647 174.177 174.900 -0.128 0.000 1.312 198 G CA -0.581 44.377 45.100 -0.237 0.000 1.036 198 G HN 0.449 nan 8.290 nan 0.000 0.513 199 Y N -1.431 118.913 120.300 0.074 0.000 2.511 199 Y HA 0.374 4.924 4.550 0.000 0.000 0.347 199 Y C 1.182 177.189 175.900 0.179 0.000 1.257 199 Y CA -0.914 57.289 58.100 0.171 0.000 1.469 199 Y CB 0.444 39.047 38.460 0.238 0.000 1.353 199 Y HN 0.169 nan 8.280 nan 0.000 0.617 200 L N 1.319 122.851 121.223 0.513 0.000 2.529 200 L HA 0.152 4.492 4.340 -0.000 0.000 0.223 200 L C 0.407 177.431 176.870 0.257 0.000 1.113 200 L CA 0.613 55.659 54.840 0.343 0.000 0.861 200 L CB -0.128 42.122 42.059 0.319 0.000 1.012 200 L HN 0.822 nan 8.230 nan 0.000 0.461 201 S N -2.780 113.045 115.700 0.208 0.000 2.541 201 S HA 0.422 4.892 4.470 -0.000 0.000 0.271 201 S C -2.451 171.987 174.600 -0.270 0.000 1.133 201 S CA -1.132 57.018 58.200 -0.084 0.000 0.876 201 S CB 1.888 64.915 63.200 -0.289 0.000 1.105 201 S HN -0.275 nan 8.310 nan 0.000 0.470 202 P HA -0.050 nan 4.420 nan 0.000 0.219 202 P C 0.610 177.532 177.300 -0.630 0.000 1.146 202 P CA 1.045 63.754 63.100 -0.652 0.000 0.808 202 P CB -0.221 31.189 31.700 -0.483 0.000 0.779 203 Y N -2.093 117.956 120.300 -0.419 0.000 2.403 203 Y HA -0.121 4.429 4.550 -0.000 0.000 0.291 203 Y C 1.879 177.611 175.900 -0.280 0.000 1.143 203 Y CA 0.780 58.672 58.100 -0.347 0.000 1.257 203 Y CB -1.443 36.807 38.460 -0.350 0.000 0.984 203 Y HN -0.062 nan 8.280 nan 0.000 0.550 204 F N -0.204 119.713 119.950 -0.055 0.000 2.451 204 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 204 F C 1.019 176.747 175.800 -0.119 0.000 1.101 204 F CA -0.381 57.581 58.000 -0.064 0.000 1.436 204 F CB -1.138 37.838 39.000 -0.041 0.000 1.074 204 F HN -0.132 nan 8.300 nan 0.000 0.553 205 I N 2.478 122.995 120.570 -0.089 0.000 2.664 205 I HA -0.158 4.012 4.170 -0.000 0.000 0.284 205 I C 0.983 177.089 176.117 -0.018 0.000 1.154 205 I CA 0.223 61.458 61.300 -0.109 0.000 1.402 205 I CB 0.186 38.053 38.000 -0.222 0.000 1.395 205 I HN 0.152 nan 8.210 nan 0.000 0.545 206 N N 5.483 124.189 118.700 0.010 0.000 2.254 206 N HA 0.010 4.750 4.740 -0.000 0.000 0.190 206 N C 0.055 175.568 175.510 0.005 0.000 1.107 206 N CA 0.137 53.197 53.050 0.016 0.000 0.869 206 N CB 0.331 38.834 38.487 0.027 0.000 0.983 206 N HN 0.410 nan 8.380 nan 0.000 0.487 207 K N 1.218 121.619 120.400 0.000 0.000 2.682 207 K HA 0.268 4.588 4.320 -0.000 0.000 0.189 207 K C -2.044 174.553 176.600 -0.006 0.000 1.062 207 K CA -1.745 54.542 56.287 -0.000 0.000 0.997 207 K CB 1.753 34.257 32.500 0.006 0.000 1.405 207 K HN 0.014 nan 8.250 nan 0.000 0.588 208 P HA -0.173 nan 4.420 nan 0.000 0.227 208 P C 0.210 177.503 177.300 -0.012 0.000 1.145 208 P CA 1.153 64.243 63.100 -0.018 0.000 0.769 208 P CB 0.434 32.124 31.700 -0.017 0.000 0.769 209 E N -0.707 119.489 120.200 -0.007 0.000 2.112 209 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 209 E C 1.554 178.149 176.600 -0.008 0.000 0.979 209 E CA 1.299 57.694 56.400 -0.009 0.000 0.814 209 E CB -0.859 28.837 29.700 -0.007 0.000 0.762 209 E HN 0.209 nan 8.360 nan 0.000 0.460 210 T N -0.854 113.699 114.554 -0.001 0.000 3.069 210 T HA 0.228 4.578 4.350 -0.000 0.000 0.252 210 T C 1.131 175.843 174.700 0.020 0.000 1.053 210 T CA 0.334 62.437 62.100 0.005 0.000 0.964 210 T CB 0.504 69.380 68.868 0.013 0.000 1.005 210 T HN 0.338 nan 8.240 nan 0.000 0.532 211 G N 1.856 110.665 108.800 0.016 0.000 2.341 211 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.292 211 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.292 211 G C 0.138 175.088 174.900 0.083 0.000 1.021 211 G CA 0.208 45.326 45.100 0.030 0.000 0.905 211 G HN 0.896 nan 8.290 nan 0.000 0.508 212 A N -1.430 121.425 122.820 0.059 0.000 2.346 212 A HA 0.920 5.240 4.320 -0.000 0.000 0.313 212 A C -0.189 177.430 177.584 0.058 0.000 1.140 212 A CA -0.352 51.742 52.037 0.095 0.000 0.826 212 A CB 2.068 21.110 19.000 0.069 0.000 1.332 212 A HN 1.132 nan 8.150 nan 0.000 0.457 213 V N 1.015 120.984 119.914 0.092 0.000 2.417 213 V HA 0.491 4.611 4.120 -0.000 0.000 0.291 213 V C -0.140 175.980 176.094 0.043 0.000 1.024 213 V CA -0.364 61.975 62.300 0.066 0.000 0.861 213 V CB 1.204 33.088 31.823 0.103 0.000 0.985 213 V HN 0.917 nan 8.190 nan 0.000 0.436 214 E N 4.366 124.581 120.200 0.024 0.000 2.224 214 E HA 0.691 5.041 4.350 -0.000 0.000 0.265 214 E C -1.724 174.876 176.600 0.000 0.000 0.878 214 E CA -0.602 55.804 56.400 0.010 0.000 0.759 214 E CB 1.859 31.563 29.700 0.007 0.000 1.164 214 E HN 0.598 nan 8.360 nan 0.000 0.414 215 L N 3.037 124.254 121.223 -0.009 0.000 2.386 215 L HA 0.502 4.842 4.340 -0.000 0.000 0.271 215 L C -0.470 176.383 176.870 -0.029 0.000 0.993 215 L CA -0.787 54.041 54.840 -0.019 0.000 0.819 215 L CB 2.120 44.164 42.059 -0.025 0.000 1.294 215 L HN 0.454 nan 8.230 nan 0.000 0.414 216 E N 1.244 121.421 120.200 -0.037 0.000 2.158 216 E HA 0.319 4.669 4.350 -0.000 0.000 0.271 216 E C -0.466 176.087 176.600 -0.078 0.000 0.911 216 E CA -0.557 55.815 56.400 -0.047 0.000 0.767 216 E CB 1.690 31.368 29.700 -0.037 0.000 1.120 216 E HN 0.610 nan 8.360 nan 0.000 0.405 217 S N 2.124 117.768 115.700 -0.092 0.000 3.550 217 S HA -0.126 4.344 4.470 -0.000 0.000 0.372 217 S C -2.241 172.219 174.600 -0.234 0.000 0.966 217 S CA 0.253 58.364 58.200 -0.150 0.000 1.229 217 S CB -1.324 61.786 63.200 -0.150 0.000 0.917 217 S HN 0.459 nan 8.310 nan 0.000 0.496 218 P HA 0.562 nan 4.420 nan 0.000 0.282 218 P C -0.114 177.059 177.300 -0.213 0.000 1.259 218 P CA -0.718 62.279 63.100 -0.172 0.000 0.826 218 P CB 0.515 32.180 31.700 -0.059 0.000 1.064 219 F N 0.550 120.497 119.950 -0.005 0.000 2.375 219 F HA 0.369 4.896 4.527 -0.000 0.000 0.333 219 F C 0.908 176.706 175.800 -0.002 0.000 1.104 219 F CA -0.124 57.874 58.000 -0.003 0.000 1.149 219 F CB 0.370 39.367 39.000 -0.004 0.000 1.190 219 F HN 0.040 nan 8.300 nan 0.000 0.533 220 I N 4.601 125.305 120.570 0.224 0.000 2.382 220 I HA 0.206 4.376 4.170 -0.000 0.000 0.285 220 I C -1.024 175.150 176.117 0.094 0.000 1.007 220 I CA -0.834 60.541 61.300 0.124 0.000 1.142 220 I CB 1.435 39.492 38.000 0.095 0.000 1.289 220 I HN 0.271 nan 8.210 nan 0.000 0.453 221 L N 8.362 129.625 121.223 0.065 0.000 2.315 221 L HA 0.369 4.709 4.340 -0.000 0.000 0.283 221 L C -0.689 176.197 176.870 0.027 0.000 1.089 221 L CA 0.217 55.077 54.840 0.033 0.000 0.833 221 L CB 0.387 42.457 42.059 0.019 0.000 1.170 221 L HN 0.465 nan 8.230 nan 0.000 0.442 222 L N 6.790 128.023 121.223 0.016 0.000 2.314 222 L HA 0.606 4.946 4.340 -0.000 0.000 0.275 222 L C 0.152 177.021 176.870 -0.002 0.000 1.068 222 L CA -0.273 54.569 54.840 0.004 0.000 0.894 222 L CB 0.717 42.773 42.059 -0.005 0.000 1.275 222 L HN 0.778 nan 8.230 nan 0.000 0.432 223 A N 1.392 124.213 122.820 0.002 0.000 2.271 223 A HA 0.369 4.689 4.320 -0.000 0.000 0.317 223 A C -0.266 177.318 177.584 0.001 0.000 1.245 223 A CA -0.489 51.549 52.037 0.002 0.000 0.857 223 A CB 0.656 19.662 19.000 0.009 0.000 1.175 223 A HN 0.633 nan 8.150 nan 0.000 0.512 224 D N 2.408 122.805 120.400 -0.004 0.000 2.896 224 D HA 0.372 5.012 4.640 -0.000 0.000 0.240 224 D C 0.020 176.322 176.300 0.003 0.000 1.193 224 D CA 0.176 54.173 54.000 -0.005 0.000 0.983 224 D CB -0.589 40.204 40.800 -0.012 0.000 1.074 224 D HN 0.636 nan 8.370 nan 0.000 0.496 225 K N -1.018 119.388 120.400 0.011 0.000 2.809 225 K HA 0.293 4.613 4.320 -0.000 0.000 0.293 225 K C -1.269 175.345 176.600 0.024 0.000 1.061 225 K CA -1.169 55.128 56.287 0.016 0.000 0.837 225 K CB 0.637 33.145 32.500 0.013 0.000 1.524 225 K HN -0.198 nan 8.250 nan 0.000 0.370 226 K N 1.167 121.583 120.400 0.027 0.000 2.276 226 K HA 0.361 4.681 4.320 -0.000 0.000 0.283 226 K C -0.583 176.036 176.600 0.031 0.000 1.044 226 K CA -0.399 55.907 56.287 0.033 0.000 0.944 226 K CB 0.667 33.188 32.500 0.034 0.000 1.012 226 K HN 0.370 nan 8.250 nan 0.000 0.472 227 I N 2.579 123.171 120.570 0.037 0.000 2.306 227 I HA 0.043 4.213 4.170 -0.000 0.000 0.288 227 I C 0.590 176.731 176.117 0.040 0.000 1.036 227 I CA 0.057 61.378 61.300 0.036 0.000 1.221 227 I CB 1.506 39.529 38.000 0.039 0.000 1.385 227 I HN 0.665 nan 8.210 nan 0.000 0.472 228 S N 3.545 119.264 115.700 0.032 0.000 2.545 228 S HA 0.189 4.659 4.470 -0.000 0.000 0.232 228 S C 0.695 175.312 174.600 0.029 0.000 1.070 228 S CA -0.052 58.167 58.200 0.032 0.000 0.923 228 S CB 0.228 63.444 63.200 0.026 0.000 0.806 228 S HN 0.589 nan 8.310 nan 0.000 0.506 229 N N 1.773 120.488 118.700 0.024 0.000 2.479 229 N HA 0.286 5.026 4.740 -0.000 0.000 0.285 229 N C 0.519 176.042 175.510 0.022 0.000 1.075 229 N CA -0.149 52.913 53.050 0.020 0.000 0.967 229 N CB 1.684 40.180 38.487 0.015 0.000 1.137 229 N HN 0.110 nan 8.380 nan 0.000 0.472 230 I N 2.386 122.969 120.570 0.021 0.000 2.353 230 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 230 I C 2.076 178.202 176.117 0.015 0.000 1.119 230 I CA 0.947 62.260 61.300 0.021 0.000 1.417 230 I CB 0.154 38.167 38.000 0.022 0.000 1.078 230 I HN 0.483 nan 8.210 nan 0.000 0.421 231 R N 0.901 121.408 120.500 0.011 0.000 2.159 231 R HA -0.282 4.058 4.340 -0.000 0.000 0.249 231 R C 2.000 178.303 176.300 0.005 0.000 1.136 231 R CA 2.584 58.688 56.100 0.007 0.000 0.951 231 R CB -0.553 29.750 30.300 0.006 0.000 0.876 231 R HN 0.570 nan 8.270 nan 0.000 0.440 232 E N -0.287 119.917 120.200 0.007 0.000 2.118 232 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 232 E C 2.034 178.635 176.600 0.001 0.000 0.992 232 E CA 1.149 57.552 56.400 0.004 0.000 0.804 232 E CB -0.073 29.631 29.700 0.007 0.000 0.741 232 E HN 0.289 nan 8.360 nan 0.000 0.458 233 M N 0.392 119.996 119.600 0.006 0.000 2.236 233 M HA -0.031 4.449 4.480 -0.000 0.000 0.266 233 M C 2.377 178.676 176.300 -0.001 0.000 1.070 233 M CA 0.963 56.265 55.300 0.004 0.000 1.137 233 M CB -0.824 31.784 32.600 0.014 0.000 1.378 233 M HN 0.146 nan 8.290 nan 0.000 0.426 234 L N 0.609 121.833 121.223 0.001 0.000 2.040 234 L HA -0.283 4.057 4.340 -0.000 0.000 0.228 234 L C -0.259 176.605 176.870 -0.009 0.000 1.092 234 L CA 2.186 57.025 54.840 -0.001 0.000 0.805 234 L CB -2.616 39.443 42.059 -0.000 0.000 0.905 234 L HN 0.196 nan 8.230 nan 0.000 0.443 235 P HA -0.116 nan 4.420 nan 0.000 0.217 235 P C 1.830 179.110 177.300 -0.034 0.000 1.150 235 P CA 1.475 64.562 63.100 -0.022 0.000 0.832 235 P CB 0.016 31.703 31.700 -0.021 0.000 0.787 236 V N 0.183 120.076 119.914 -0.036 0.000 2.453 236 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 236 V C 2.833 178.898 176.094 -0.049 0.000 1.048 236 V CA 1.274 63.541 62.300 -0.055 0.000 1.049 236 V CB -1.164 30.629 31.823 -0.049 0.000 0.672 236 V HN -0.003 nan 8.190 nan 0.000 0.457 237 L N -0.146 121.063 121.223 -0.023 0.000 2.046 237 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 237 L C 2.582 179.449 176.870 -0.006 0.000 1.077 237 L CA 1.771 56.606 54.840 -0.007 0.000 0.747 237 L CB -0.566 41.496 42.059 0.005 0.000 0.896 237 L HN 0.393 nan 8.230 nan 0.000 0.432 238 E N 0.043 120.236 120.200 -0.012 0.000 2.152 238 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 238 E C 2.285 178.875 176.600 -0.018 0.000 0.983 238 E CA 0.959 57.353 56.400 -0.009 0.000 0.818 238 E CB -0.140 29.554 29.700 -0.009 0.000 0.758 238 E HN 0.476 nan 8.360 nan 0.000 0.467 239 A N 0.949 123.744 122.820 -0.042 0.000 1.930 239 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 239 A C 2.457 179.996 177.584 -0.076 0.000 1.175 239 A CA 1.043 53.038 52.037 -0.069 0.000 0.627 239 A CB -0.483 18.451 19.000 -0.110 0.000 0.815 239 A HN 0.115 nan 8.150 nan 0.000 0.443 240 V N -0.207 119.667 119.914 -0.066 0.000 2.379 240 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 240 V C 3.035 179.180 176.094 0.084 0.000 1.044 240 V CA 1.628 63.938 62.300 0.016 0.000 1.036 240 V CB -1.262 30.593 31.823 0.052 0.000 0.664 240 V HN 0.595 nan 8.190 nan 0.000 0.453 241 A N -0.223 122.623 122.820 0.044 0.000 1.917 241 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 241 A C 2.331 179.942 177.584 0.045 0.000 1.182 241 A CA 2.295 54.358 52.037 0.043 0.000 0.633 241 A CB -0.503 18.512 19.000 0.024 0.000 0.819 241 A HN 0.514 nan 8.150 nan 0.000 0.448 242 K N -0.780 119.641 120.400 0.035 0.000 2.057 242 K HA -0.058 4.262 4.320 -0.000 0.000 0.207 242 K C 2.078 178.713 176.600 0.058 0.000 1.049 242 K CA 1.098 57.405 56.287 0.034 0.000 0.931 242 K CB -0.275 32.235 32.500 0.016 0.000 0.714 242 K HN 0.450 nan 8.250 nan 0.000 0.440 243 A N 0.325 123.204 122.820 0.099 0.000 2.209 243 A HA 0.069 4.389 4.320 -0.000 0.000 0.212 243 A C 1.306 178.964 177.584 0.122 0.000 1.158 243 A CA 1.018 53.146 52.037 0.152 0.000 0.742 243 A CB -0.550 18.647 19.000 0.328 0.000 0.790 243 A HN 0.470 nan 8.150 nan 0.000 0.472 244 G N -0.667 108.190 108.800 0.095 0.000 2.225 244 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.267 244 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.267 244 G C 0.130 175.058 174.900 0.047 0.000 1.024 244 G CA 0.955 46.091 45.100 0.059 0.000 0.784 244 G HN 0.626 nan 8.290 nan 0.000 0.507 245 K N 0.291 120.741 120.400 0.083 0.000 2.221 245 K HA 0.603 4.923 4.320 -0.000 0.000 0.243 245 K C -2.296 174.338 176.600 0.056 0.000 0.968 245 K CA -2.027 54.266 56.287 0.010 0.000 0.846 245 K CB 2.358 34.758 32.500 -0.166 0.000 1.141 245 K HN 0.049 nan 8.250 nan 0.000 0.434 246 P HA 0.209 nan 4.420 nan 0.000 0.278 246 P C -1.333 176.001 177.300 0.057 0.000 1.258 246 P CA -0.619 62.495 63.100 0.024 0.000 0.811 246 P CB 0.736 32.430 31.700 -0.010 0.000 1.063 247 L N 2.088 123.342 121.223 0.051 0.000 2.356 247 L HA 0.484 4.824 4.340 -0.000 0.000 0.277 247 L C -1.256 175.614 176.870 0.000 0.000 0.996 247 L CA -0.972 53.911 54.840 0.071 0.000 0.822 247 L CB 1.412 43.518 42.059 0.078 0.000 1.256 247 L HN 0.148 nan 8.230 nan 0.000 0.413 248 L N 6.508 127.743 121.223 0.020 0.000 2.255 248 L HA 0.525 4.865 4.340 -0.000 0.000 0.289 248 L C -0.852 176.027 176.870 0.015 0.000 1.046 248 L CA -0.125 54.712 54.840 -0.006 0.000 0.816 248 L CB 0.663 42.735 42.059 0.023 0.000 1.197 248 L HN 0.424 nan 8.230 nan 0.000 0.427 249 I N 7.191 127.752 120.570 -0.016 0.000 2.322 249 I HA 0.188 4.358 4.170 -0.000 0.000 0.292 249 I C 0.169 176.312 176.117 0.043 0.000 1.060 249 I CA -0.025 61.281 61.300 0.011 0.000 1.309 249 I CB 0.403 38.402 38.000 -0.001 0.000 1.415 249 I HN 0.535 nan 8.210 nan 0.000 0.492 250 I N 6.296 126.901 120.570 0.058 0.000 2.313 250 I HA 0.418 4.588 4.170 -0.000 0.000 0.286 250 I C 0.556 176.697 176.117 0.040 0.000 1.091 250 I CA -0.190 61.153 61.300 0.073 0.000 1.216 250 I CB 0.714 38.757 38.000 0.070 0.000 1.434 250 I HN 0.621 nan 8.210 nan 0.000 0.487 251 A N 4.413 127.263 122.820 0.050 0.000 2.313 251 A HA 0.389 4.709 4.320 -0.000 0.000 0.323 251 A C 1.108 178.717 177.584 0.042 0.000 1.133 251 A CA -0.540 51.520 52.037 0.038 0.000 0.847 251 A CB 1.150 20.176 19.000 0.043 0.000 1.308 251 A HN 0.710 nan 8.150 nan 0.000 0.475 252 E N -0.742 119.478 120.200 0.034 0.000 2.160 252 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 252 E C -0.457 176.176 176.600 0.056 0.000 0.991 252 E CA 1.567 57.991 56.400 0.041 0.000 0.810 252 E CB 0.139 29.861 29.700 0.035 0.000 0.742 252 E HN 0.634 nan 8.360 nan 0.000 0.466 253 D N -2.180 118.255 120.400 0.058 0.000 2.766 253 D HA 0.117 4.757 4.640 -0.000 0.000 0.244 253 D C -1.952 174.390 176.300 0.071 0.000 1.198 253 D CA -0.497 53.544 54.000 0.069 0.000 0.739 253 D CB 1.757 42.594 40.800 0.062 0.000 1.379 253 D HN -0.147 nan 8.370 nan 0.000 0.437 254 V N 2.549 122.516 119.914 0.088 0.000 2.349 254 V HA 0.462 4.582 4.120 -0.000 0.000 0.284 254 V C 0.120 176.269 176.094 0.092 0.000 1.014 254 V CA -0.625 61.731 62.300 0.093 0.000 0.826 254 V CB 1.278 33.173 31.823 0.120 0.000 1.009 254 V HN 0.423 nan 8.190 nan 0.000 0.431 255 E N 2.416 122.658 120.200 0.071 0.000 2.254 255 E HA 0.553 4.903 4.350 -0.000 0.000 0.261 255 E C 1.354 177.988 176.600 0.058 0.000 1.051 255 E CA -0.035 56.402 56.400 0.061 0.000 0.902 255 E CB 1.396 31.124 29.700 0.047 0.000 1.168 255 E HN 0.682 nan 8.360 nan 0.000 0.423 256 G N 1.478 110.307 108.800 0.048 0.000 3.903 256 G HA2 -0.469 3.491 3.960 -0.000 0.000 0.260 256 G HA3 -0.469 3.491 3.960 -0.000 0.000 0.260 256 G C 1.249 176.173 174.900 0.040 0.000 0.882 256 G CA 1.422 46.546 45.100 0.040 0.000 0.749 256 G HN 0.684 nan 8.290 nan 0.000 1.415 257 E N 0.978 121.197 120.200 0.033 0.000 2.048 257 E HA -0.223 4.127 4.350 -0.000 0.000 0.202 257 E C 3.004 179.627 176.600 0.038 0.000 1.021 257 E CA 2.133 58.551 56.400 0.029 0.000 0.825 257 E CB -0.671 29.043 29.700 0.024 0.000 0.756 257 E HN 0.499 nan 8.360 nan 0.000 0.454 258 A N 0.801 123.649 122.820 0.047 0.000 1.898 258 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 258 A C 2.256 179.891 177.584 0.084 0.000 1.181 258 A CA 1.330 53.401 52.037 0.057 0.000 0.620 258 A CB -0.659 18.375 19.000 0.055 0.000 0.819 258 A HN 0.318 nan 8.150 nan 0.000 0.442 259 L N -0.071 121.211 121.223 0.098 0.000 1.994 259 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 259 L C 2.755 179.687 176.870 0.103 0.000 1.071 259 L CA 2.249 57.172 54.840 0.140 0.000 0.745 259 L CB -0.837 41.300 42.059 0.131 0.000 0.892 259 L HN 0.356 nan 8.230 nan 0.000 0.431 260 A N -1.732 121.122 122.820 0.056 0.000 1.948 260 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 260 A C 2.266 179.860 177.584 0.016 0.000 1.177 260 A CA 2.559 54.608 52.037 0.020 0.000 0.636 260 A CB -1.246 17.760 19.000 0.010 0.000 0.815 260 A HN 0.557 nan 8.150 nan 0.000 0.449 261 T N 0.243 114.820 114.554 0.038 0.000 2.770 261 T HA -0.011 4.339 4.350 -0.000 0.000 0.263 261 T C 1.811 176.550 174.700 0.065 0.000 1.039 261 T CA 1.310 63.432 62.100 0.037 0.000 1.142 261 T CB -0.358 68.531 68.868 0.036 0.000 0.868 261 T HN 0.383 nan 8.240 nan 0.000 0.435 262 L N 0.886 122.180 121.223 0.117 0.000 2.079 262 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 262 L C 2.642 179.665 176.870 0.255 0.000 1.081 262 L CA 0.856 55.813 54.840 0.196 0.000 0.752 262 L CB -0.809 41.414 42.059 0.273 0.000 0.896 262 L HN 0.148 nan 8.230 nan 0.000 0.433 263 V N -0.623 119.382 119.914 0.152 0.000 2.261 263 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 263 V C 2.412 178.471 176.094 -0.057 0.000 1.047 263 V CA 1.642 63.930 62.300 -0.020 0.000 1.015 263 V CB -0.263 31.465 31.823 -0.159 0.000 0.642 263 V HN 0.200 nan 8.190 nan 0.000 0.446 264 V N 0.478 120.357 119.914 -0.058 0.000 2.490 264 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 264 V C 1.954 178.035 176.094 -0.022 0.000 1.061 264 V CA 2.308 64.568 62.300 -0.068 0.000 1.064 264 V CB -0.994 30.795 31.823 -0.056 0.000 0.670 264 V HN 0.630 nan 8.190 nan 0.000 0.461 265 N N -0.015 118.697 118.700 0.020 0.000 2.395 265 N HA -0.096 4.644 4.740 -0.000 0.000 0.175 265 N C 1.842 177.380 175.510 0.047 0.000 1.029 265 N CA 1.294 54.363 53.050 0.031 0.000 0.897 265 N CB 0.042 38.552 38.487 0.039 0.000 0.991 265 N HN 0.637 nan 8.380 nan 0.000 0.441 266 T N -1.456 113.150 114.554 0.086 0.000 3.088 266 T HA 0.062 4.412 4.350 -0.000 0.000 0.259 266 T C 1.703 176.442 174.700 0.064 0.000 1.122 266 T CA 0.263 62.423 62.100 0.100 0.000 1.095 266 T CB 0.055 69.039 68.868 0.194 0.000 0.930 266 T HN -0.024 nan 8.240 nan 0.000 0.508 267 M N 1.244 120.858 119.600 0.024 0.000 2.236 267 M HA 0.256 4.736 4.480 -0.000 0.000 0.266 267 M C 1.942 178.233 176.300 -0.016 0.000 1.070 267 M CA 1.228 56.517 55.300 -0.018 0.000 1.137 267 M CB -0.105 32.442 32.600 -0.088 0.000 1.378 267 M HN 0.066 nan 8.290 nan 0.000 0.426 268 R N -0.789 119.704 120.500 -0.011 0.000 2.356 268 R HA 0.330 4.670 4.340 -0.000 0.000 0.234 268 R C 1.170 177.470 176.300 -0.000 0.000 0.929 268 R CA 0.544 56.638 56.100 -0.011 0.000 1.084 268 R CB -0.192 30.100 30.300 -0.013 0.000 1.105 268 R HN 0.584 nan 8.270 nan 0.000 0.515 269 G N 1.479 110.285 108.800 0.009 0.000 2.257 269 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.267 269 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.267 269 G C 0.986 175.895 174.900 0.016 0.000 0.984 269 G CA 0.621 45.729 45.100 0.013 0.000 0.626 269 G HN 0.324 nan 8.290 nan 0.000 0.540 270 I N -0.226 120.353 120.570 0.015 0.000 2.094 270 I HA -0.198 3.972 4.170 -0.000 0.000 0.236 270 I C 1.226 177.356 176.117 0.022 0.000 1.016 270 I CA 2.166 63.476 61.300 0.016 0.000 1.294 270 I CB -0.571 37.437 38.000 0.014 0.000 1.006 270 I HN 0.172 nan 8.210 nan 0.000 0.397 271 V N -0.149 119.783 119.914 0.029 0.000 2.841 271 V HA 0.275 4.395 4.120 -0.000 0.000 0.310 271 V C -0.710 175.406 176.094 0.037 0.000 1.090 271 V CA -1.029 61.290 62.300 0.033 0.000 0.930 271 V CB 1.898 33.740 31.823 0.033 0.000 1.014 271 V HN 0.088 nan 8.190 nan 0.000 0.425 272 K N 2.786 123.204 120.400 0.031 0.000 2.231 272 K HA 0.582 4.902 4.320 -0.000 0.000 0.275 272 K C -0.840 175.760 176.600 -0.000 0.000 1.105 272 K CA 0.064 56.366 56.287 0.025 0.000 0.931 272 K CB 0.883 33.394 32.500 0.018 0.000 1.296 272 K HN 0.480 nan 8.250 nan 0.000 0.446 273 V N 1.579 121.481 119.914 -0.021 0.000 2.604 273 V HA 0.795 4.915 4.120 -0.000 0.000 0.305 273 V C -0.562 175.305 176.094 -0.379 0.000 1.043 273 V CA -1.128 61.104 62.300 -0.114 0.000 0.888 273 V CB 1.855 33.642 31.823 -0.059 0.000 0.995 273 V HN 0.680 nan 8.190 nan 0.000 0.429 274 A N 3.240 125.759 122.820 -0.502 0.000 2.371 274 A HA 0.981 5.301 4.320 -0.000 0.000 0.311 274 A C -0.384 176.821 177.584 -0.632 0.000 1.068 274 A CA -0.363 51.064 52.037 -1.016 0.000 0.744 274 A CB 1.764 20.454 19.000 -0.518 0.000 1.239 274 A HN 1.434 nan 8.150 nan 0.000 0.435 275 A N 1.296 123.714 122.820 -0.670 0.000 2.331 275 A HA 0.776 5.096 4.320 -0.000 0.000 0.320 275 A C -0.246 177.386 177.584 0.080 0.000 1.138 275 A CA -0.198 51.768 52.037 -0.119 0.000 0.790 275 A CB 1.009 20.024 19.000 0.026 0.000 1.206 275 A HN 2.201 nan 8.150 nan 0.000 0.470 276 V N -0.116 119.860 119.914 0.104 0.000 2.823 276 V HA 0.603 4.723 4.120 -0.000 0.000 0.312 276 V C -0.243 175.949 176.094 0.164 0.000 1.072 276 V CA -1.250 61.143 62.300 0.156 0.000 0.937 276 V CB 1.428 33.351 31.823 0.167 0.000 1.013 276 V HN 0.867 nan 8.190 nan 0.000 0.430 277 K N 2.017 122.513 120.400 0.160 0.000 2.440 277 K HA 0.513 4.833 4.320 -0.000 0.000 0.270 277 K C 0.457 177.154 176.600 0.160 0.000 0.980 277 K CA 0.447 56.817 56.287 0.139 0.000 0.953 277 K CB 0.763 33.334 32.500 0.118 0.000 0.925 277 K HN 1.104 nan 8.250 nan 0.000 0.497 278 A N 3.745 126.610 122.820 0.075 0.000 2.371 278 A HA 0.284 4.604 4.320 -0.000 0.000 0.257 278 A C -2.102 175.472 177.584 -0.017 0.000 1.089 278 A CA -1.343 50.678 52.037 -0.027 0.000 0.794 278 A CB -0.178 18.793 19.000 -0.049 0.000 1.029 278 A HN 0.438 nan 8.150 nan 0.000 0.488 279 P HA 0.387 nan 4.420 nan 0.000 0.271 279 P C 0.675 177.982 177.300 0.012 0.000 1.218 279 P CA 1.433 64.515 63.100 -0.031 0.000 0.780 279 P CB 0.557 32.145 31.700 -0.186 0.000 0.901 280 G N 1.682 110.543 108.800 0.101 0.000 2.750 280 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.228 280 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.228 280 G C -0.869 174.175 174.900 0.240 0.000 1.367 280 G CA -0.058 45.137 45.100 0.157 0.000 0.871 280 G HN 0.723 nan 8.290 nan 0.000 0.560 281 F N -1.828 118.136 119.950 0.023 0.000 2.643 281 F HA 0.836 5.363 4.527 -0.000 0.000 0.314 281 F C 1.049 176.862 175.800 0.022 0.000 1.096 281 F CA 0.172 58.186 58.000 0.022 0.000 0.953 281 F CB 1.056 40.073 39.000 0.029 0.000 1.345 281 F HN 2.458 nan 8.300 nan 0.000 0.468 282 G N 1.618 110.390 108.800 -0.047 0.000 2.583 282 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.292 282 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.292 282 G C 0.436 175.248 174.900 -0.147 0.000 1.203 282 G CA 0.742 45.763 45.100 -0.132 0.000 0.987 282 G HN 0.841 nan 8.290 nan 0.000 0.554 283 D N 1.151 121.447 120.400 -0.173 0.000 2.078 283 D HA -0.102 4.538 4.640 -0.000 0.000 0.193 283 D C 2.510 178.735 176.300 -0.125 0.000 0.990 283 D CA 1.895 55.824 54.000 -0.119 0.000 0.827 283 D CB -0.366 40.373 40.800 -0.100 0.000 0.975 283 D HN 0.712 nan 8.370 nan 0.000 0.451 284 R N 1.209 121.607 120.500 -0.170 0.000 2.303 284 R HA -0.049 4.291 4.340 -0.000 0.000 0.225 284 R C 2.074 178.304 176.300 -0.116 0.000 1.114 284 R CA 0.910 56.926 56.100 -0.140 0.000 1.007 284 R CB -0.433 29.775 30.300 -0.153 0.000 0.861 284 R HN 0.101 nan 8.270 nan 0.000 0.471 285 R N 1.654 122.086 120.500 -0.114 0.000 2.066 285 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 285 R C 1.420 177.676 176.300 -0.073 0.000 1.131 285 R CA 1.837 57.893 56.100 -0.075 0.000 0.955 285 R CB -0.045 30.233 30.300 -0.036 0.000 0.851 285 R HN 0.299 nan 8.270 nan 0.000 0.432 286 K N 0.211 120.573 120.400 -0.064 0.000 2.026 286 K HA -0.092 4.228 4.320 -0.000 0.000 0.208 286 K C 2.183 178.746 176.600 -0.061 0.000 1.048 286 K CA 1.561 57.815 56.287 -0.055 0.000 0.929 286 K CB -0.265 32.209 32.500 -0.044 0.000 0.713 286 K HN 0.227 nan 8.250 nan 0.000 0.439 287 A N 1.265 124.046 122.820 -0.065 0.000 1.940 287 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 287 A C 2.147 179.687 177.584 -0.073 0.000 1.176 287 A CA 1.764 53.763 52.037 -0.064 0.000 0.631 287 A CB -0.510 18.451 19.000 -0.065 0.000 0.814 287 A HN 0.221 nan 8.150 nan 0.000 0.446 288 M N -1.195 118.351 119.600 -0.090 0.000 2.236 288 M HA 0.040 4.520 4.480 -0.000 0.000 0.266 288 M C 2.180 178.395 176.300 -0.142 0.000 1.070 288 M CA 0.905 56.137 55.300 -0.114 0.000 1.137 288 M CB -0.308 32.215 32.600 -0.129 0.000 1.378 288 M HN 0.414 nan 8.290 nan 0.000 0.426 289 L N 0.231 121.375 121.223 -0.131 0.000 2.042 289 L HA -0.281 4.059 4.340 -0.000 0.000 0.210 289 L C 2.631 179.448 176.870 -0.088 0.000 1.076 289 L CA 1.491 56.256 54.840 -0.124 0.000 0.749 289 L CB -0.322 41.684 42.059 -0.087 0.000 0.893 289 L HN 0.330 nan 8.230 nan 0.000 0.432 290 Q N 0.108 119.867 119.800 -0.068 0.000 2.124 290 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 290 Q C 1.674 177.646 176.000 -0.047 0.000 0.977 290 Q CA 1.834 57.608 55.803 -0.049 0.000 0.850 290 Q CB -0.179 28.535 28.738 -0.041 0.000 0.901 290 Q HN 0.438 nan 8.270 nan 0.000 0.429 291 D N -0.329 120.036 120.400 -0.058 0.000 2.149 291 D HA -0.153 4.487 4.640 -0.000 0.000 0.198 291 D C 1.836 178.113 176.300 -0.039 0.000 0.990 291 D CA 1.270 55.242 54.000 -0.047 0.000 0.839 291 D CB -0.139 40.629 40.800 -0.053 0.000 0.948 291 D HN 0.383 nan 8.370 nan 0.000 0.460 292 I N 1.093 121.626 120.570 -0.061 0.000 2.202 292 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 292 I C 2.550 178.659 176.117 -0.013 0.000 1.091 292 I CA 0.853 62.129 61.300 -0.040 0.000 1.368 292 I CB -0.293 37.652 38.000 -0.092 0.000 1.058 292 I HN -0.088 nan 8.210 nan 0.000 0.410 293 A N 0.753 123.560 122.820 -0.021 0.000 1.873 293 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 293 A C 2.397 179.981 177.584 0.000 0.000 1.193 293 A CA 2.845 54.879 52.037 -0.006 0.000 0.629 293 A CB -1.349 17.643 19.000 -0.013 0.000 0.826 293 A HN 0.393 nan 8.150 nan 0.000 0.447 294 T N 0.140 114.690 114.554 -0.007 0.000 2.737 294 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 294 T C 1.774 176.477 174.700 0.005 0.000 1.040 294 T CA 1.367 63.466 62.100 -0.003 0.000 1.142 294 T CB -0.272 68.591 68.868 -0.008 0.000 0.861 294 T HN 0.300 nan 8.240 nan 0.000 0.456 295 L N 1.623 122.850 121.223 0.007 0.000 2.156 295 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 295 L C 2.257 179.140 176.870 0.021 0.000 1.095 295 L CA 2.006 56.855 54.840 0.015 0.000 0.770 295 L CB -1.068 41.003 42.059 0.021 0.000 0.914 295 L HN 0.448 nan 8.230 nan 0.000 0.439 296 T N -4.673 109.897 114.554 0.026 0.000 3.054 296 T HA 0.266 4.616 4.350 -0.000 0.000 0.255 296 T C 1.258 175.981 174.700 0.039 0.000 1.035 296 T CA 0.367 62.488 62.100 0.035 0.000 0.941 296 T CB 0.195 69.090 68.868 0.046 0.000 1.026 296 T HN 0.446 nan 8.240 nan 0.000 0.533 297 G N 0.685 109.503 108.800 0.029 0.000 2.198 297 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.260 297 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.260 297 G C 0.431 175.352 174.900 0.035 0.000 1.025 297 G CA -0.097 45.021 45.100 0.029 0.000 0.769 297 G HN 1.023 nan 8.290 nan 0.000 0.507 298 G N -1.659 107.161 108.800 0.032 0.000 2.568 298 G HA2 0.731 4.691 3.960 -0.000 0.000 0.293 298 G HA3 0.731 4.691 3.960 -0.000 0.000 0.293 298 G C -0.349 174.558 174.900 0.012 0.000 1.347 298 G CA 0.289 45.407 45.100 0.029 0.000 1.039 298 G HN 0.710 nan 8.290 nan 0.000 0.523 299 T N -0.025 114.532 114.554 0.005 0.000 2.879 299 T HA 0.364 4.714 4.350 -0.000 0.000 0.290 299 T C -0.190 174.505 174.700 -0.007 0.000 0.993 299 T CA -0.314 61.784 62.100 -0.003 0.000 0.975 299 T CB 1.707 70.571 68.868 -0.006 0.000 0.981 299 T HN 0.354 nan 8.240 nan 0.000 0.439 300 V N 4.739 124.646 119.914 -0.011 0.000 2.493 300 V HA 0.136 4.256 4.120 -0.000 0.000 0.292 300 V C 0.475 176.561 176.094 -0.012 0.000 1.016 300 V CA 0.104 62.396 62.300 -0.014 0.000 1.097 300 V CB -0.172 31.639 31.823 -0.020 0.000 0.947 300 V HN 0.761 nan 8.190 nan 0.000 0.479 301 I N 5.761 126.325 120.570 -0.011 0.000 2.268 301 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 301 I C 0.545 176.657 176.117 -0.007 0.000 1.125 301 I CA 0.168 61.462 61.300 -0.009 0.000 1.236 301 I CB 0.315 38.309 38.000 -0.009 0.000 1.469 301 I HN 0.699 nan 8.210 nan 0.000 0.512 302 S N 2.681 118.376 115.700 -0.008 0.000 2.509 302 S HA 0.376 4.846 4.470 -0.000 0.000 0.297 302 S C 0.604 175.202 174.600 -0.005 0.000 1.118 302 S CA -0.846 57.350 58.200 -0.007 0.000 1.074 302 S CB 2.129 65.323 63.200 -0.010 0.000 1.038 302 S HN 0.531 nan 8.310 nan 0.000 0.498 303 E N 1.046 121.245 120.200 -0.002 0.000 2.418 303 E HA -0.101 4.249 4.350 -0.000 0.000 0.197 303 E C 1.225 177.824 176.600 -0.002 0.000 1.026 303 E CA 0.641 57.041 56.400 -0.001 0.000 0.862 303 E CB -0.005 29.696 29.700 0.002 0.000 0.799 303 E HN 0.787 nan 8.360 nan 0.000 0.518 304 E N 0.523 120.721 120.200 -0.003 0.000 2.150 304 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 304 E C 1.541 178.139 176.600 -0.005 0.000 0.985 304 E CA 0.771 57.169 56.400 -0.004 0.000 0.814 304 E CB 0.012 29.709 29.700 -0.006 0.000 0.752 304 E HN 0.320 nan 8.360 nan 0.000 0.466 305 I N 0.189 120.756 120.570 -0.006 0.000 3.812 305 I HA 0.141 4.311 4.170 -0.000 0.000 0.320 305 I C 0.959 177.073 176.117 -0.005 0.000 1.276 305 I CA 0.095 61.392 61.300 -0.006 0.000 1.164 305 I CB -0.089 37.907 38.000 -0.008 0.000 1.009 305 I HN 0.113 nan 8.210 nan 0.000 0.431 306 G N 1.948 110.745 108.800 -0.004 0.000 2.246 306 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.273 306 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.273 306 G C 0.070 174.967 174.900 -0.005 0.000 1.055 306 G CA -0.081 45.017 45.100 -0.004 0.000 0.851 306 G HN 0.353 nan 8.290 nan 0.000 0.500 307 M N 0.029 119.626 119.600 -0.006 0.000 2.264 307 M HA 0.497 4.977 4.480 -0.000 0.000 0.352 307 M C 0.315 176.611 176.300 -0.006 0.000 1.173 307 M CA -0.302 54.994 55.300 -0.007 0.000 1.075 307 M CB 1.409 34.004 32.600 -0.008 0.000 1.621 307 M HN 0.238 nan 8.290 nan 0.000 0.457 308 E N 1.870 122.066 120.200 -0.007 0.000 2.212 308 E HA 0.317 4.667 4.350 -0.000 0.000 0.270 308 E C 0.254 176.849 176.600 -0.009 0.000 0.956 308 E CA -0.562 55.834 56.400 -0.007 0.000 0.825 308 E CB 1.990 31.686 29.700 -0.006 0.000 1.167 308 E HN 0.665 nan 8.360 nan 0.000 0.400 309 L N 1.433 122.651 121.223 -0.007 0.000 2.291 309 L HA -0.128 4.212 4.340 -0.000 0.000 0.214 309 L C 1.604 178.465 176.870 -0.014 0.000 1.120 309 L CA 0.895 55.729 54.840 -0.010 0.000 0.799 309 L CB -0.189 41.867 42.059 -0.005 0.000 0.925 309 L HN 0.541 nan 8.230 nan 0.000 0.446 310 E N 0.555 120.748 120.200 -0.012 0.000 2.106 310 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 310 E C 0.917 177.506 176.600 -0.018 0.000 0.984 310 E CA 1.003 57.395 56.400 -0.013 0.000 0.806 310 E CB 0.029 29.724 29.700 -0.009 0.000 0.750 310 E HN 0.269 nan 8.360 nan 0.000 0.458 311 K N 0.397 120.786 120.400 -0.017 0.000 3.129 311 K HA 0.448 4.768 4.320 -0.000 0.000 0.241 311 K C -0.874 175.711 176.600 -0.025 0.000 1.239 311 K CA -0.257 56.019 56.287 -0.020 0.000 1.239 311 K CB 0.960 33.451 32.500 -0.015 0.000 1.347 311 K HN -0.023 nan 8.250 nan 0.000 0.435 312 A N 0.935 123.735 122.820 -0.032 0.000 2.374 312 A HA 0.519 4.839 4.320 -0.000 0.000 0.305 312 A C -0.011 177.536 177.584 -0.061 0.000 1.053 312 A CA -0.647 51.364 52.037 -0.043 0.000 0.726 312 A CB 0.981 19.957 19.000 -0.040 0.000 1.229 312 A HN 0.266 nan 8.150 nan 0.000 0.431 313 T N -0.314 114.196 114.554 -0.073 0.000 2.919 313 T HA 0.548 4.898 4.350 -0.000 0.000 0.282 313 T C 1.121 175.729 174.700 -0.153 0.000 1.020 313 T CA -0.743 61.298 62.100 -0.099 0.000 0.994 313 T CB 0.466 69.289 68.868 -0.075 0.000 1.180 313 T HN 0.349 nan 8.240 nan 0.000 0.566 314 L N -0.026 121.067 121.223 -0.215 0.000 2.261 314 L HA -0.062 4.278 4.340 -0.000 0.000 0.216 314 L C 2.849 179.577 176.870 -0.236 0.000 1.114 314 L CA 1.550 56.163 54.840 -0.379 0.000 0.777 314 L CB -0.560 41.242 42.059 -0.429 0.000 0.910 314 L HN 0.859 nan 8.230 nan 0.000 0.440 315 E N 0.226 120.357 120.200 -0.115 0.000 2.150 315 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 315 E C 1.514 178.095 176.600 -0.031 0.000 0.985 315 E CA 1.059 57.431 56.400 -0.045 0.000 0.814 315 E CB 0.197 29.879 29.700 -0.030 0.000 0.752 315 E HN 0.454 nan 8.360 nan 0.000 0.466 316 D N 0.175 120.545 120.400 -0.051 0.000 2.178 316 D HA -0.090 4.550 4.640 -0.000 0.000 0.202 316 D C 0.261 176.551 176.300 -0.016 0.000 0.974 316 D CA 0.452 54.434 54.000 -0.031 0.000 0.841 316 D CB 0.037 40.814 40.800 -0.039 0.000 0.953 316 D HN 0.135 nan 8.370 nan 0.000 0.478 317 L N 0.913 122.114 121.223 -0.036 0.000 2.426 317 L HA 0.263 4.603 4.340 -0.000 0.000 0.271 317 L C 1.440 178.376 176.870 0.109 0.000 1.169 317 L CA 0.106 54.958 54.840 0.020 0.000 0.836 317 L CB 0.662 42.693 42.059 -0.047 0.000 1.112 317 L HN -0.156 nan 8.230 nan 0.000 0.465 318 G N 1.461 110.334 108.800 0.121 0.000 2.543 318 G HA2 0.532 4.492 3.960 -0.000 0.000 0.290 318 G HA3 0.532 4.492 3.960 -0.000 0.000 0.290 318 G C -0.940 174.064 174.900 0.173 0.000 1.310 318 G CA -0.211 44.962 45.100 0.121 0.000 1.025 318 G HN 0.553 nan 8.290 nan 0.000 0.502 319 Q N -2.276 117.581 119.800 0.095 0.000 2.522 319 Q HA 0.572 4.912 4.340 -0.000 0.000 0.285 319 Q C -1.342 174.657 176.000 -0.002 0.000 0.982 319 Q CA -0.716 55.103 55.803 0.027 0.000 0.805 319 Q CB 2.302 31.035 28.738 -0.009 0.000 1.457 319 Q HN 1.042 nan 8.270 nan 0.000 0.394 320 A N 1.391 124.188 122.820 -0.038 0.000 2.612 320 A HA 0.412 4.732 4.320 -0.000 0.000 0.293 320 A C -0.538 177.016 177.584 -0.051 0.000 1.075 320 A CA -0.591 51.430 52.037 -0.027 0.000 0.680 320 A CB 1.474 20.473 19.000 -0.001 0.000 1.279 320 A HN 0.747 nan 8.150 nan 0.000 0.411 321 K N -0.468 119.910 120.400 -0.038 0.000 2.097 321 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 321 K C 0.611 177.186 176.600 -0.041 0.000 1.049 321 K CA 1.334 57.595 56.287 -0.042 0.000 0.933 321 K CB 0.096 32.579 32.500 -0.028 0.000 0.717 321 K HN 0.524 nan 8.250 nan 0.000 0.442 322 R N -0.055 120.428 120.500 -0.029 0.000 2.561 322 R HA 0.163 4.503 4.340 -0.000 0.000 0.266 322 R C -1.817 174.475 176.300 -0.014 0.000 1.091 322 R CA -0.446 55.640 56.100 -0.023 0.000 0.927 322 R CB 1.945 32.235 30.300 -0.017 0.000 1.240 322 R HN -0.051 nan 8.270 nan 0.000 0.449 323 V N 0.878 120.784 119.914 -0.015 0.000 2.656 323 V HA 0.825 4.945 4.120 -0.000 0.000 0.307 323 V C -1.082 175.004 176.094 -0.014 0.000 1.051 323 V CA -0.639 61.654 62.300 -0.012 0.000 0.893 323 V CB 2.068 33.889 31.823 -0.003 0.000 0.999 323 V HN 0.404 nan 8.190 nan 0.000 0.426 324 V N 6.211 126.112 119.914 -0.022 0.000 2.540 324 V HA 0.617 4.737 4.120 -0.000 0.000 0.302 324 V C -0.133 175.945 176.094 -0.026 0.000 1.035 324 V CA -0.427 61.866 62.300 -0.012 0.000 0.873 324 V CB 1.632 33.449 31.823 -0.009 0.000 0.992 324 V HN 1.054 nan 8.190 nan 0.000 0.428 325 I N 1.518 122.100 120.570 0.020 0.000 2.478 325 I HA 0.654 4.824 4.170 -0.000 0.000 0.287 325 I C -0.644 175.549 176.117 0.128 0.000 1.042 325 I CA -0.459 60.859 61.300 0.030 0.000 1.067 325 I CB 2.033 40.059 38.000 0.044 0.000 1.233 325 I HN 0.448 nan 8.210 nan 0.000 0.431 326 N N 5.217 123.929 118.700 0.020 0.000 2.431 326 N HA 0.186 4.926 4.740 -0.000 0.000 0.289 326 N C 0.769 176.110 175.510 -0.281 0.000 1.277 326 N CA -0.516 52.544 53.050 0.016 0.000 0.972 326 N CB 0.792 39.252 38.487 -0.044 0.000 1.143 326 N HN 0.671 nan 8.380 nan 0.000 0.578 327 K N 0.077 120.287 120.400 -0.317 0.000 2.160 327 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 327 K C -0.435 175.853 176.600 -0.520 0.000 1.047 327 K CA 2.024 57.920 56.287 -0.653 0.000 0.930 327 K CB -0.015 32.355 32.500 -0.216 0.000 0.720 327 K HN 0.621 nan 8.250 nan 0.000 0.450 328 D N -1.736 118.491 120.400 -0.288 0.000 2.822 328 D HA 0.108 4.748 4.640 -0.000 0.000 0.327 328 D C -0.882 175.330 176.300 -0.146 0.000 1.577 328 D CA -0.461 53.424 54.000 -0.192 0.000 0.785 328 D CB 0.864 41.592 40.800 -0.120 0.000 1.199 328 D HN -0.180 nan 8.370 nan 0.000 0.443 329 T N -0.194 114.254 114.554 -0.176 0.000 2.993 329 T HA 0.570 4.920 4.350 -0.000 0.000 0.312 329 T C -1.123 173.410 174.700 -0.277 0.000 1.115 329 T CA -0.385 61.599 62.100 -0.195 0.000 1.027 329 T CB 2.112 70.904 68.868 -0.127 0.000 1.116 329 T HN -0.093 nan 8.240 nan 0.000 0.464 330 T N 2.394 116.636 114.554 -0.520 0.000 2.792 330 T HA 0.657 5.007 4.350 -0.000 0.000 0.280 330 T C -0.408 173.972 174.700 -0.533 0.000 0.990 330 T CA -0.505 61.232 62.100 -0.605 0.000 0.960 330 T CB 1.448 69.697 68.868 -1.031 0.000 0.939 330 T HN 0.632 nan 8.240 nan 0.000 0.439 331 T N 3.502 117.906 114.554 -0.250 0.000 2.841 331 T HA 0.662 5.012 4.350 -0.000 0.000 0.285 331 T C -0.756 173.915 174.700 -0.048 0.000 0.991 331 T CA -0.708 61.316 62.100 -0.127 0.000 0.966 331 T CB 0.233 69.055 68.868 -0.078 0.000 0.962 331 T HN 0.479 nan 8.240 nan 0.000 0.438 332 I N 5.950 126.527 120.570 0.012 0.000 2.328 332 I HA 0.429 4.599 4.170 -0.000 0.000 0.287 332 I C -0.395 175.739 176.117 0.029 0.000 1.012 332 I CA -0.840 60.485 61.300 0.042 0.000 1.195 332 I CB 1.285 39.348 38.000 0.104 0.000 1.350 332 I HN 0.595 nan 8.210 nan 0.000 0.464 333 I N 6.100 126.678 120.570 0.012 0.000 2.330 333 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 333 I C -0.371 175.748 176.117 0.003 0.000 1.001 333 I CA -0.287 61.017 61.300 0.006 0.000 1.193 333 I CB 1.003 39.002 38.000 -0.002 0.000 1.345 333 I HN 0.563 nan 8.210 nan 0.000 0.461 334 D N 4.948 125.351 120.400 0.006 0.000 3.241 334 D HA -0.111 4.529 4.640 -0.000 0.000 0.248 334 D C 0.208 176.510 176.300 0.002 0.000 1.093 334 D CA 0.886 54.887 54.000 0.002 0.000 0.940 334 D CB -0.305 40.492 40.800 -0.005 0.000 0.980 334 D HN 0.799 nan 8.370 nan 0.000 0.421 335 G N 0.376 109.183 108.800 0.011 0.000 2.483 335 G HA2 0.362 4.322 3.960 -0.000 0.000 0.248 335 G HA3 0.362 4.322 3.960 -0.000 0.000 0.248 335 G C 1.441 176.347 174.900 0.010 0.000 1.248 335 G CA -0.288 44.821 45.100 0.014 0.000 0.838 335 G HN 0.333 nan 8.290 nan 0.000 0.566 336 V N 2.412 122.333 119.914 0.011 0.000 2.809 336 V HA -0.007 4.113 4.120 -0.000 0.000 0.256 336 V C 2.266 178.369 176.094 0.015 0.000 1.080 336 V CA 1.150 63.457 62.300 0.011 0.000 1.102 336 V CB -1.129 30.704 31.823 0.017 0.000 0.705 336 V HN 0.883 nan 8.190 nan 0.000 0.475 337 G N 1.099 109.909 108.800 0.017 0.000 2.238 337 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.234 337 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.234 337 G C -0.061 174.845 174.900 0.010 0.000 1.181 337 G CA -0.089 45.020 45.100 0.014 0.000 0.871 337 G HN 0.557 nan 8.290 nan 0.000 0.490 338 E N 1.793 121.998 120.200 0.009 0.000 2.354 338 E HA 0.046 4.396 4.350 -0.000 0.000 0.269 338 E C 0.984 177.587 176.600 0.004 0.000 1.036 338 E CA -0.224 56.180 56.400 0.006 0.000 0.876 338 E CB 1.341 31.045 29.700 0.006 0.000 1.009 338 E HN 0.676 nan 8.360 nan 0.000 0.416 339 E N 1.835 122.038 120.200 0.004 0.000 2.160 339 E HA -0.278 4.072 4.350 -0.000 0.000 0.195 339 E C 1.842 178.442 176.600 0.001 0.000 0.991 339 E CA 1.079 57.480 56.400 0.002 0.000 0.810 339 E CB -0.074 29.627 29.700 0.002 0.000 0.742 339 E HN 0.612 nan 8.360 nan 0.000 0.466 340 A N 1.885 124.706 122.820 0.001 0.000 1.849 340 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 340 A C 2.471 180.055 177.584 -0.000 0.000 1.202 340 A CA 2.214 54.251 52.037 0.000 0.000 0.629 340 A CB -0.946 18.055 19.000 0.001 0.000 0.834 340 A HN 0.322 nan 8.150 nan 0.000 0.447 341 A N -0.556 122.265 122.820 0.000 0.000 1.902 341 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 341 A C 2.189 179.772 177.584 -0.002 0.000 1.181 341 A CA 1.639 53.675 52.037 -0.001 0.000 0.623 341 A CB -0.639 18.361 19.000 0.001 0.000 0.818 341 A HN 0.525 nan 8.150 nan 0.000 0.443 342 I N -1.100 119.470 120.570 -0.000 0.000 2.133 342 I HA -0.248 3.922 4.170 -0.000 0.000 0.238 342 I C 2.731 178.846 176.117 -0.003 0.000 1.074 342 I CA 1.705 63.004 61.300 -0.001 0.000 1.342 342 I CB -0.307 37.694 38.000 0.002 0.000 1.053 342 I HN 0.321 nan 8.210 nan 0.000 0.404 343 Q N 1.269 121.068 119.800 -0.002 0.000 2.226 343 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 343 Q C 1.950 177.947 176.000 -0.004 0.000 0.975 343 Q CA 1.889 57.691 55.803 -0.003 0.000 0.866 343 Q CB -0.685 28.052 28.738 -0.002 0.000 0.915 343 Q HN 0.513 nan 8.270 nan 0.000 0.440 344 G N -0.401 108.397 108.800 -0.005 0.000 2.396 344 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.214 344 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.214 344 G C 1.578 176.473 174.900 -0.008 0.000 1.166 344 G CA 0.589 45.686 45.100 -0.006 0.000 0.793 344 G HN 0.359 nan 8.290 nan 0.000 0.533 345 R N 0.266 120.761 120.500 -0.008 0.000 2.081 345 R HA -0.026 4.314 4.340 -0.000 0.000 0.235 345 R C 2.551 178.844 176.300 -0.013 0.000 1.131 345 R CA 1.477 57.569 56.100 -0.012 0.000 0.960 345 R CB -0.803 29.490 30.300 -0.012 0.000 0.856 345 R HN 0.191 nan 8.270 nan 0.000 0.436 346 V N 0.793 120.701 119.914 -0.011 0.000 2.287 346 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 346 V C 2.367 178.455 176.094 -0.011 0.000 1.053 346 V CA 2.044 64.338 62.300 -0.011 0.000 1.027 346 V CB -0.986 30.832 31.823 -0.008 0.000 0.646 346 V HN 0.584 nan 8.190 nan 0.000 0.447 347 A N -1.053 121.761 122.820 -0.010 0.000 1.940 347 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 347 A C 2.170 179.747 177.584 -0.011 0.000 1.176 347 A CA 2.125 54.156 52.037 -0.009 0.000 0.631 347 A CB -0.477 18.518 19.000 -0.008 0.000 0.814 347 A HN 0.655 nan 8.150 nan 0.000 0.446 348 Q N -0.515 119.278 119.800 -0.013 0.000 1.993 348 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 348 Q C 2.107 178.096 176.000 -0.018 0.000 0.984 348 Q CA 1.725 57.519 55.803 -0.015 0.000 0.837 348 Q CB -0.358 28.370 28.738 -0.016 0.000 0.902 348 Q HN 0.752 nan 8.270 nan 0.000 0.423 349 I N 0.283 120.840 120.570 -0.020 0.000 2.208 349 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 349 I C 2.548 178.652 176.117 -0.023 0.000 1.097 349 I CA 1.137 62.422 61.300 -0.025 0.000 1.363 349 I CB -0.314 37.669 38.000 -0.027 0.000 1.051 349 I HN 0.149 nan 8.210 nan 0.000 0.413 350 R N 0.594 121.083 120.500 -0.018 0.000 2.127 350 R HA -0.206 4.134 4.340 -0.000 0.000 0.238 350 R C 2.319 178.610 176.300 -0.015 0.000 1.134 350 R CA 1.451 57.541 56.100 -0.016 0.000 0.975 350 R CB -0.064 30.229 30.300 -0.013 0.000 0.865 350 R HN 0.452 nan 8.270 nan 0.000 0.447 351 Q N -0.633 119.159 119.800 -0.015 0.000 2.137 351 Q HA -0.118 4.222 4.340 -0.000 0.000 0.198 351 Q C 2.034 178.025 176.000 -0.015 0.000 0.960 351 Q CA 0.968 56.763 55.803 -0.013 0.000 0.847 351 Q CB 0.233 28.964 28.738 -0.012 0.000 0.915 351 Q HN 0.476 nan 8.270 nan 0.000 0.448 352 Q N 0.458 120.246 119.800 -0.019 0.000 2.112 352 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 352 Q C 2.102 178.089 176.000 -0.022 0.000 0.987 352 Q CA 1.192 56.982 55.803 -0.021 0.000 0.858 352 Q CB -0.374 28.347 28.738 -0.028 0.000 0.905 352 Q HN 0.473 nan 8.270 nan 0.000 0.420 353 I N 1.344 121.900 120.570 -0.023 0.000 2.335 353 I HA -0.255 3.915 4.170 -0.000 0.000 0.251 353 I C 2.141 178.248 176.117 -0.016 0.000 1.129 353 I CA 1.087 62.374 61.300 -0.022 0.000 1.402 353 I CB -0.334 37.653 38.000 -0.022 0.000 1.069 353 I HN 0.175 nan 8.210 nan 0.000 0.424 354 E N 0.986 121.178 120.200 -0.013 0.000 2.152 354 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 354 E C 1.722 178.318 176.600 -0.008 0.000 0.983 354 E CA 1.066 57.461 56.400 -0.009 0.000 0.818 354 E CB -0.238 29.457 29.700 -0.008 0.000 0.758 354 E HN 0.635 nan 8.360 nan 0.000 0.467 355 E N 0.949 121.143 120.200 -0.009 0.000 2.447 355 E HA 0.199 4.549 4.350 -0.000 0.000 0.195 355 E C 0.433 177.029 176.600 -0.006 0.000 1.028 355 E CA 0.038 56.434 56.400 -0.007 0.000 0.876 355 E CB 0.319 30.014 29.700 -0.008 0.000 0.885 355 E HN 0.061 nan 8.360 nan 0.000 0.500 356 A N 1.826 124.641 122.820 -0.009 0.000 2.548 356 A HA 0.031 4.351 4.320 -0.000 0.000 0.247 356 A C 1.173 178.758 177.584 0.001 0.000 1.067 356 A CA 0.454 52.487 52.037 -0.007 0.000 0.757 356 A CB -0.134 18.858 19.000 -0.015 0.000 0.996 356 A HN 0.239 nan 8.150 nan 0.000 0.504 357 T N -0.629 113.929 114.554 0.007 0.000 3.105 357 T HA 0.405 4.755 4.350 -0.000 0.000 0.253 357 T C 0.363 175.076 174.700 0.022 0.000 1.047 357 T CA 0.377 62.484 62.100 0.012 0.000 0.944 357 T CB -0.308 68.566 68.868 0.011 0.000 1.016 357 T HN 1.178 nan 8.240 nan 0.000 0.544 358 S N -0.209 115.509 115.700 0.029 0.000 2.572 358 S HA 0.341 4.811 4.470 -0.000 0.000 0.274 358 S C -0.096 174.537 174.600 0.055 0.000 1.150 358 S CA -0.627 57.603 58.200 0.051 0.000 0.944 358 S CB 1.611 64.857 63.200 0.077 0.000 1.071 358 S HN 0.016 nan 8.310 nan 0.000 0.479 359 D N 2.378 122.816 120.400 0.063 0.000 2.116 359 D HA -0.139 4.501 4.640 -0.000 0.000 0.193 359 D C 1.351 177.692 176.300 0.068 0.000 0.998 359 D CA 1.786 55.820 54.000 0.056 0.000 0.836 359 D CB -0.340 40.498 40.800 0.064 0.000 0.951 359 D HN 0.737 nan 8.370 nan 0.000 0.449 360 Y N 1.985 122.287 120.300 0.004 0.000 2.081 360 Y HA -0.256 4.294 4.550 -0.000 0.000 0.280 360 Y C 1.668 177.567 175.900 -0.002 0.000 1.163 360 Y CA 2.131 60.234 58.100 0.005 0.000 1.135 360 Y CB -0.452 38.013 38.460 0.009 0.000 0.970 360 Y HN -0.073 nan 8.280 nan 0.000 0.498 361 D N -0.759 119.607 120.400 -0.057 0.000 2.117 361 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 361 D C 2.255 178.471 176.300 -0.140 0.000 0.987 361 D CA 1.525 55.450 54.000 -0.126 0.000 0.829 361 D CB -0.240 40.550 40.800 -0.017 0.000 0.961 361 D HN 0.254 nan 8.370 nan 0.000 0.460 362 R N 0.776 121.227 120.500 -0.082 0.000 2.097 362 R HA -0.182 4.158 4.340 -0.000 0.000 0.236 362 R C 1.970 178.215 176.300 -0.091 0.000 1.135 362 R CA 1.549 57.609 56.100 -0.065 0.000 0.934 362 R CB -0.035 30.247 30.300 -0.030 0.000 0.846 362 R HN 0.185 nan 8.270 nan 0.000 0.431 363 E N 0.638 120.772 120.200 -0.111 0.000 2.085 363 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 363 E C 1.906 178.415 176.600 -0.151 0.000 0.994 363 E CA 0.985 57.320 56.400 -0.109 0.000 0.801 363 E CB -0.192 29.453 29.700 -0.092 0.000 0.743 363 E HN 0.243 nan 8.360 nan 0.000 0.453 364 K N 0.902 121.145 120.400 -0.263 0.000 2.063 364 K HA -0.065 4.255 4.320 -0.000 0.000 0.208 364 K C 2.420 178.931 176.600 -0.149 0.000 1.048 364 K CA 0.733 56.868 56.287 -0.254 0.000 0.928 364 K CB -0.553 31.710 32.500 -0.396 0.000 0.713 364 K HN 0.204 nan 8.250 nan 0.000 0.442 365 L N 0.781 121.927 121.223 -0.128 0.000 2.044 365 L HA -0.169 4.171 4.340 -0.000 0.000 0.205 365 L C 2.554 179.387 176.870 -0.062 0.000 1.075 365 L CA 1.135 55.925 54.840 -0.084 0.000 0.747 365 L CB -0.437 41.579 42.059 -0.071 0.000 0.903 365 L HN 0.194 nan 8.230 nan 0.000 0.435 366 Q N -0.062 119.703 119.800 -0.059 0.000 2.181 366 Q HA -0.250 4.090 4.340 -0.000 0.000 0.205 366 Q C 2.081 178.060 176.000 -0.034 0.000 0.980 366 Q CA 1.558 57.337 55.803 -0.040 0.000 0.862 366 Q CB -0.119 28.598 28.738 -0.035 0.000 0.905 366 Q HN 0.534 nan 8.270 nan 0.000 0.429 367 E N 0.345 120.519 120.200 -0.043 0.000 2.051 367 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 367 E C 2.088 178.675 176.600 -0.023 0.000 0.991 367 E CA 0.716 57.099 56.400 -0.029 0.000 0.799 367 E CB 0.024 29.703 29.700 -0.035 0.000 0.748 367 E HN 0.259 nan 8.360 nan 0.000 0.449 368 R N 0.487 120.966 120.500 -0.035 0.000 2.083 368 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 368 R C 2.730 179.018 176.300 -0.020 0.000 1.137 368 R CA 1.685 57.767 56.100 -0.030 0.000 0.951 368 R CB -0.813 29.461 30.300 -0.044 0.000 0.851 368 R HN 0.235 nan 8.270 nan 0.000 0.434 369 V N -1.142 118.759 119.914 -0.022 0.000 2.261 369 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 369 V C 2.404 178.493 176.094 -0.008 0.000 1.047 369 V CA 1.857 64.148 62.300 -0.016 0.000 1.015 369 V CB -1.250 30.563 31.823 -0.017 0.000 0.642 369 V HN 0.257 nan 8.190 nan 0.000 0.446 370 A N 0.442 123.257 122.820 -0.008 0.000 1.948 370 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 370 A C 2.346 179.933 177.584 0.005 0.000 1.177 370 A CA 2.550 54.586 52.037 -0.002 0.000 0.636 370 A CB -0.678 18.321 19.000 -0.002 0.000 0.815 370 A HN 0.674 nan 8.150 nan 0.000 0.449 371 K N -1.426 118.979 120.400 0.009 0.000 2.062 371 K HA 0.002 4.322 4.320 -0.000 0.000 0.205 371 K C 1.851 178.463 176.600 0.020 0.000 1.051 371 K CA 1.094 57.395 56.287 0.022 0.000 0.941 371 K CB -0.219 32.301 32.500 0.034 0.000 0.719 371 K HN 0.342 nan 8.250 nan 0.000 0.440 372 L N 0.357 121.585 121.223 0.009 0.000 2.131 372 L HA 0.024 4.364 4.340 -0.000 0.000 0.206 372 L C 1.927 178.800 176.870 0.006 0.000 1.087 372 L CA 1.495 56.339 54.840 0.007 0.000 0.767 372 L CB -0.435 41.622 42.059 -0.003 0.000 0.917 372 L HN 0.076 nan 8.230 nan 0.000 0.441 373 A N -1.620 121.201 122.820 0.003 0.000 2.178 373 A HA 0.258 4.578 4.320 -0.000 0.000 0.211 373 A C 2.120 179.706 177.584 0.004 0.000 1.157 373 A CA 0.715 52.753 52.037 0.002 0.000 0.780 373 A CB -0.735 18.264 19.000 -0.002 0.000 0.828 373 A HN 0.422 nan 8.150 nan 0.000 0.476 374 G N -0.843 107.961 108.800 0.006 0.000 2.603 374 G HA2 0.382 4.342 3.960 -0.000 0.000 0.214 374 G HA3 0.382 4.342 3.960 -0.000 0.000 0.214 374 G C 1.138 176.043 174.900 0.008 0.000 1.140 374 G CA 0.651 45.755 45.100 0.006 0.000 0.800 374 G HN 1.421 nan 8.290 nan 0.000 0.533 375 G N -1.061 107.745 108.800 0.011 0.000 2.578 375 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.275 375 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.275 375 G C -0.474 174.433 174.900 0.012 0.000 1.271 375 G CA 0.113 45.220 45.100 0.012 0.000 0.941 375 G HN 1.085 nan 8.290 nan 0.000 0.564 376 V N 0.135 120.055 119.914 0.009 0.000 2.711 376 V HA 0.676 4.796 4.120 -0.000 0.000 0.304 376 V C 0.570 176.666 176.094 0.004 0.000 1.097 376 V CA -0.076 62.228 62.300 0.007 0.000 0.906 376 V CB 1.393 33.221 31.823 0.008 0.000 1.015 376 V HN 2.069 nan 8.190 nan 0.000 0.427 377 A N 4.600 127.422 122.820 0.002 0.000 2.366 377 A HA 0.723 5.043 4.320 -0.000 0.000 0.272 377 A C -0.422 177.163 177.584 0.001 0.000 1.135 377 A CA -0.248 51.789 52.037 0.001 0.000 0.804 377 A CB 0.690 19.691 19.000 0.001 0.000 1.064 377 A HN 0.798 nan 8.150 nan 0.000 0.499 378 V N 4.897 124.811 119.914 0.001 0.000 2.357 378 V HA 0.267 4.387 4.120 -0.000 0.000 0.284 378 V C -0.090 176.005 176.094 0.000 0.000 1.018 378 V CA -0.138 62.162 62.300 0.000 0.000 0.841 378 V CB 1.047 32.870 31.823 -0.001 0.000 0.991 378 V HN 0.744 nan 8.190 nan 0.000 0.437 379 I N 5.373 125.944 120.570 0.001 0.000 2.312 379 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 379 I C 0.353 176.471 176.117 0.001 0.000 1.031 379 I CA -0.188 61.113 61.300 0.002 0.000 1.293 379 I CB 0.799 38.801 38.000 0.003 0.000 1.403 379 I HN 0.485 nan 8.210 nan 0.000 0.484 380 K N 6.019 126.419 120.400 0.000 0.000 2.263 380 K HA 0.432 4.752 4.320 -0.000 0.000 0.272 380 K C -0.898 175.702 176.600 -0.000 0.000 1.033 380 K CA -0.630 55.657 56.287 -0.001 0.000 0.884 380 K CB 1.914 34.413 32.500 -0.002 0.000 1.107 380 K HN 0.315 nan 8.250 nan 0.000 0.460 381 V N 3.026 122.940 119.914 -0.000 0.000 2.408 381 V HA 0.195 4.315 4.120 -0.000 0.000 0.267 381 V C 0.808 176.901 176.094 -0.001 0.000 1.047 381 V CA -0.613 61.687 62.300 0.000 0.000 0.937 381 V CB 0.938 32.761 31.823 0.001 0.000 0.999 381 V HN 0.882 nan 8.190 nan 0.000 0.472 382 G N 3.456 112.255 108.800 -0.001 0.000 2.448 382 G HA2 0.747 4.707 3.960 -0.000 0.000 0.285 382 G HA3 0.747 4.707 3.960 -0.000 0.000 0.285 382 G C -0.337 174.562 174.900 -0.001 0.000 1.176 382 G CA 0.291 45.390 45.100 -0.001 0.000 0.852 382 G HN 1.220 nan 8.290 nan 0.000 0.530 383 A N -0.237 122.581 122.820 -0.002 0.000 2.540 383 A HA 0.770 5.090 4.320 -0.000 0.000 0.291 383 A C 0.708 178.291 177.584 -0.002 0.000 1.083 383 A CA 0.354 52.390 52.037 -0.002 0.000 0.650 383 A CB 0.463 19.462 19.000 -0.002 0.000 1.292 383 A HN 1.758 nan 8.150 nan 0.000 0.435 384 A N -0.462 122.356 122.820 -0.002 0.000 1.935 384 A HA 0.450 4.770 4.320 -0.000 0.000 0.214 384 A C 1.208 178.791 177.584 -0.002 0.000 1.178 384 A CA 2.226 54.261 52.037 -0.002 0.000 0.640 384 A CB -0.482 18.517 19.000 -0.002 0.000 0.825 384 A HN 2.077 nan 8.150 nan 0.000 0.447 385 T N -4.439 110.114 114.554 -0.002 0.000 2.906 385 T HA 0.472 4.822 4.350 -0.000 0.000 0.295 385 T C 0.445 175.143 174.700 -0.003 0.000 1.075 385 T CA 0.056 62.154 62.100 -0.003 0.000 1.005 385 T CB 1.902 70.768 68.868 -0.003 0.000 1.136 385 T HN 0.238 nan 8.240 nan 0.000 0.498 386 E N 0.252 120.450 120.200 -0.003 0.000 2.114 386 E HA -0.186 4.164 4.350 -0.000 0.000 0.199 386 E C 1.800 178.398 176.600 -0.003 0.000 1.008 386 E CA 1.862 58.260 56.400 -0.003 0.000 0.810 386 E CB -0.265 29.433 29.700 -0.003 0.000 0.739 386 E HN 0.562 nan 8.360 nan 0.000 0.456 387 V N 0.713 120.625 119.914 -0.003 0.000 2.307 387 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 387 V C 2.121 178.213 176.094 -0.003 0.000 1.045 387 V CA 2.172 64.471 62.300 -0.003 0.000 1.024 387 V CB -0.575 31.246 31.823 -0.003 0.000 0.651 387 V HN 0.254 nan 8.190 nan 0.000 0.449 388 E N -0.630 119.568 120.200 -0.003 0.000 2.204 388 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 388 E C 2.141 178.740 176.600 -0.003 0.000 0.989 388 E CA 1.012 57.410 56.400 -0.003 0.000 0.824 388 E CB -0.107 29.591 29.700 -0.003 0.000 0.756 388 E HN 0.458 nan 8.360 nan 0.000 0.477 389 M N 0.632 120.231 119.600 -0.003 0.000 2.160 389 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 389 M C 1.551 177.850 176.300 -0.002 0.000 1.073 389 M CA 1.261 56.560 55.300 -0.002 0.000 1.142 389 M CB 0.038 32.637 32.600 -0.002 0.000 1.358 389 M HN -0.117 nan 8.290 nan 0.000 0.422 390 K N 0.510 120.909 120.400 -0.003 0.000 2.103 390 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 390 K C 1.813 178.411 176.600 -0.003 0.000 1.048 390 K CA 1.375 57.660 56.287 -0.003 0.000 0.930 390 K CB -0.701 31.797 32.500 -0.003 0.000 0.716 390 K HN 0.565 nan 8.250 nan 0.000 0.444 391 E N 1.283 121.481 120.200 -0.003 0.000 2.028 391 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 391 E C 2.106 178.705 176.600 -0.003 0.000 0.988 391 E CA 1.084 57.482 56.400 -0.004 0.000 0.799 391 E CB 0.093 29.790 29.700 -0.004 0.000 0.755 391 E HN 0.186 nan 8.360 nan 0.000 0.447 392 K N 0.969 121.367 120.400 -0.002 0.000 2.097 392 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 392 K C 2.286 178.886 176.600 0.000 0.000 1.049 392 K CA 1.404 57.690 56.287 -0.001 0.000 0.933 392 K CB -0.056 32.443 32.500 -0.001 0.000 0.717 392 K HN -0.057 nan 8.250 nan 0.000 0.442 393 K N 0.217 120.617 120.400 0.000 0.000 2.032 393 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 393 K C 1.970 178.571 176.600 0.002 0.000 1.048 393 K CA 1.444 57.732 56.287 0.001 0.000 0.927 393 K CB -0.224 32.277 32.500 0.001 0.000 0.712 393 K HN 0.206 nan 8.250 nan 0.000 0.441 394 A N 1.361 124.180 122.820 -0.001 0.000 1.908 394 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 394 A C 2.138 179.721 177.584 -0.002 0.000 1.181 394 A CA 1.482 53.517 52.037 -0.003 0.000 0.627 394 A CB -0.492 18.504 19.000 -0.007 0.000 0.818 394 A HN 0.341 nan 8.150 nan 0.000 0.445 395 R N -0.799 119.701 120.500 -0.001 0.000 2.081 395 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 395 R C 2.062 178.366 176.300 0.008 0.000 1.131 395 R CA 1.456 57.557 56.100 0.001 0.000 0.960 395 R CB -0.411 29.890 30.300 0.000 0.000 0.856 395 R HN 0.412 nan 8.270 nan 0.000 0.436 396 V N 0.927 120.846 119.914 0.009 0.000 2.307 396 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 396 V C 1.943 178.051 176.094 0.022 0.000 1.045 396 V CA 1.784 64.092 62.300 0.013 0.000 1.024 396 V CB -0.414 31.414 31.823 0.010 0.000 0.651 396 V HN 0.352 nan 8.190 nan 0.000 0.449 397 E N -0.087 120.125 120.200 0.021 0.000 2.070 397 E HA -0.258 4.092 4.350 -0.000 0.000 0.197 397 E C 2.027 178.658 176.600 0.052 0.000 1.004 397 E CA 1.673 58.093 56.400 0.034 0.000 0.805 397 E CB -0.159 29.552 29.700 0.020 0.000 0.744 397 E HN 0.598 nan 8.360 nan 0.000 0.451 398 D N -0.177 120.240 120.400 0.028 0.000 2.117 398 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 398 D C 1.884 178.222 176.300 0.064 0.000 0.982 398 D CA 1.181 55.197 54.000 0.028 0.000 0.828 398 D CB -0.167 40.630 40.800 -0.004 0.000 0.967 398 D HN 0.159 nan 8.370 nan 0.000 0.464 399 A N 0.924 123.770 122.820 0.043 0.000 1.933 399 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 399 A C 2.156 179.771 177.584 0.050 0.000 1.175 399 A CA 0.872 52.933 52.037 0.040 0.000 0.628 399 A CB -0.642 18.372 19.000 0.023 0.000 0.814 399 A HN 0.215 nan 8.150 nan 0.000 0.444 400 L N -0.612 120.643 121.223 0.054 0.000 1.989 400 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 400 L C 2.424 179.329 176.870 0.059 0.000 1.071 400 L CA 2.707 57.575 54.840 0.046 0.000 0.749 400 L CB -0.895 41.189 42.059 0.042 0.000 0.890 400 L HN 0.626 nan 8.230 nan 0.000 0.431 401 H N -0.324 118.746 119.070 -0.001 0.000 2.319 401 H HA -0.154 4.402 4.556 0.000 0.000 0.299 401 H C 1.936 177.266 175.328 0.002 0.000 1.092 401 H CA 1.817 57.865 56.048 0.000 0.000 1.302 401 H CB 0.065 29.827 29.762 -0.001 0.000 1.373 401 H HN 0.481 nan 8.280 nan 0.000 0.497 402 A N -0.015 122.914 122.820 0.183 0.000 1.877 402 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 402 A C 2.711 180.314 177.584 0.032 0.000 1.186 402 A CA 2.243 54.344 52.037 0.107 0.000 0.620 402 A CB -1.084 17.966 19.000 0.084 0.000 0.822 402 A HN 0.533 nan 8.150 nan 0.000 0.443 403 T N -0.511 114.055 114.554 0.020 0.000 2.684 403 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 403 T C 2.170 176.859 174.700 -0.019 0.000 1.036 403 T CA 1.448 63.550 62.100 0.003 0.000 1.148 403 T CB -0.281 68.590 68.868 0.005 0.000 0.863 403 T HN 0.331 nan 8.240 nan 0.000 0.436 404 R N 1.683 122.156 120.500 -0.045 0.000 2.094 404 R HA -0.002 4.338 4.340 -0.000 0.000 0.239 404 R C 2.580 178.835 176.300 -0.075 0.000 1.137 404 R CA 2.081 58.137 56.100 -0.073 0.000 0.943 404 R CB -1.296 28.925 30.300 -0.131 0.000 0.850 404 R HN 0.420 nan 8.270 nan 0.000 0.433 405 A N 0.409 123.173 122.820 -0.093 0.000 1.892 405 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 405 A C 2.398 179.970 177.584 -0.020 0.000 1.188 405 A CA 2.456 54.460 52.037 -0.055 0.000 0.631 405 A CB -0.994 17.992 19.000 -0.024 0.000 0.822 405 A HN 0.470 nan 8.150 nan 0.000 0.447 406 A N -0.957 121.857 122.820 -0.008 0.000 1.972 406 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 406 A C 2.188 179.769 177.584 -0.004 0.000 1.169 406 A CA 1.719 53.756 52.037 -0.000 0.000 0.635 406 A CB -0.760 18.243 19.000 0.005 0.000 0.810 406 A HN 0.410 nan 8.150 nan 0.000 0.446 407 V N -0.128 119.779 119.914 -0.011 0.000 2.548 407 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 407 V C 2.339 178.427 176.094 -0.009 0.000 1.055 407 V CA 2.073 64.367 62.300 -0.010 0.000 1.065 407 V CB -0.610 31.205 31.823 -0.014 0.000 0.681 407 V HN 0.644 nan 8.190 nan 0.000 0.462 408 E N -0.050 120.142 120.200 -0.014 0.000 2.047 408 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 408 E C 1.509 178.107 176.600 -0.003 0.000 0.987 408 E CA 1.445 57.839 56.400 -0.010 0.000 0.799 408 E CB 0.041 29.733 29.700 -0.015 0.000 0.752 408 E HN 0.656 nan 8.360 nan 0.000 0.449 409 E N -1.064 119.136 120.200 -0.001 0.000 2.743 409 E HA 0.231 4.581 4.350 -0.000 0.000 0.222 409 E C 0.180 176.783 176.600 0.006 0.000 0.959 409 E CA 0.123 56.525 56.400 0.003 0.000 1.198 409 E CB 1.723 31.426 29.700 0.006 0.000 1.100 409 E HN 0.230 nan 8.360 nan 0.000 0.518 410 G N 1.287 110.090 108.800 0.005 0.000 2.660 410 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 410 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 410 G C -0.357 174.549 174.900 0.010 0.000 1.345 410 G CA -0.479 44.625 45.100 0.007 0.000 0.877 410 G HN 0.498 nan 8.290 nan 0.000 0.549 411 V N -2.731 117.189 119.914 0.011 0.000 2.962 411 V HA 0.975 5.095 4.120 -0.000 0.000 0.313 411 V C 0.560 176.663 176.094 0.015 0.000 1.099 411 V CA -0.007 62.302 62.300 0.014 0.000 0.971 411 V CB 1.258 33.089 31.823 0.013 0.000 1.028 411 V HN 2.415 nan 8.190 nan 0.000 0.430 412 V N -0.637 119.287 119.914 0.017 0.000 3.102 412 V HA 1.009 5.129 4.120 -0.000 0.000 0.312 412 V C 0.543 176.649 176.094 0.020 0.000 1.135 412 V CA -0.724 61.588 62.300 0.019 0.000 1.022 412 V CB 1.307 33.142 31.823 0.021 0.000 1.056 412 V HN 2.093 nan 8.190 nan 0.000 0.436 413 A N 1.126 123.960 122.820 0.023 0.000 2.567 413 A HA 0.550 4.870 4.320 -0.000 0.000 0.240 413 A C 0.940 178.535 177.584 0.019 0.000 1.053 413 A CA 0.802 52.852 52.037 0.022 0.000 0.755 413 A CB -0.728 18.291 19.000 0.032 0.000 0.978 413 A HN 1.987 nan 8.150 nan 0.000 0.507 414 G N 0.705 109.511 108.800 0.011 0.000 2.494 414 G HA2 0.532 4.492 3.960 -0.000 0.000 0.270 414 G HA3 0.532 4.492 3.960 -0.000 0.000 0.270 414 G C 1.167 176.074 174.900 0.010 0.000 1.423 414 G CA -0.062 45.044 45.100 0.009 0.000 1.055 414 G HN 2.292 nan 8.290 nan 0.000 0.536 415 G N -2.126 106.679 108.800 0.008 0.000 2.179 415 G HA2 0.200 4.160 3.960 -0.000 0.000 0.257 415 G HA3 0.200 4.160 3.960 -0.000 0.000 0.257 415 G C 1.544 176.462 174.900 0.030 0.000 1.010 415 G CA 1.159 46.269 45.100 0.016 0.000 0.736 415 G HN 2.473 nan 8.290 nan 0.000 0.513 416 G N -2.237 106.579 108.800 0.026 0.000 2.196 416 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.268 416 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.268 416 G C 1.976 176.897 174.900 0.035 0.000 0.975 416 G CA 2.050 47.168 45.100 0.029 0.000 0.648 416 G HN 2.212 nan 8.290 nan 0.000 0.538 417 V N -0.544 119.393 119.914 0.037 0.000 2.548 417 V HA 0.272 4.392 4.120 -0.000 0.000 0.249 417 V C 2.832 178.953 176.094 0.045 0.000 1.055 417 V CA 2.298 64.626 62.300 0.047 0.000 1.065 417 V CB -0.636 31.221 31.823 0.056 0.000 0.681 417 V HN 1.426 nan 8.190 nan 0.000 0.462 418 A N 0.600 123.442 122.820 0.036 0.000 1.892 418 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 418 A C 2.238 179.840 177.584 0.030 0.000 1.188 418 A CA 2.421 54.478 52.037 0.033 0.000 0.631 418 A CB -0.778 18.238 19.000 0.027 0.000 0.822 418 A HN 0.623 nan 8.150 nan 0.000 0.447 419 L N -1.066 120.174 121.223 0.028 0.000 2.141 419 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 419 L C 2.474 179.361 176.870 0.027 0.000 1.094 419 L CA 0.887 55.742 54.840 0.025 0.000 0.763 419 L CB -0.346 41.727 42.059 0.023 0.000 0.908 419 L HN 0.386 nan 8.230 nan 0.000 0.437 420 I N -0.805 119.785 120.570 0.034 0.000 2.315 420 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 420 I C 2.712 178.852 176.117 0.039 0.000 1.117 420 I CA 0.772 62.094 61.300 0.037 0.000 1.404 420 I CB -0.097 37.931 38.000 0.046 0.000 1.071 420 I HN 0.221 nan 8.210 nan 0.000 0.419 421 R N 0.079 120.605 120.500 0.043 0.000 2.075 421 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 421 R C 2.219 178.537 176.300 0.030 0.000 1.126 421 R CA 1.039 57.164 56.100 0.041 0.000 0.963 421 R CB -0.960 29.367 30.300 0.045 0.000 0.858 421 R HN 0.239 nan 8.270 nan 0.000 0.435 422 V N 1.349 121.278 119.914 0.026 0.000 2.343 422 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 422 V C 2.534 178.638 176.094 0.017 0.000 1.051 422 V CA 1.869 64.180 62.300 0.019 0.000 1.036 422 V CB -0.895 30.938 31.823 0.017 0.000 0.654 422 V HN 0.316 nan 8.190 nan 0.000 0.451 423 A N 0.777 123.609 122.820 0.019 0.000 1.908 423 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 423 A C 2.498 180.092 177.584 0.015 0.000 1.181 423 A CA 2.502 54.548 52.037 0.016 0.000 0.627 423 A CB -0.763 18.247 19.000 0.017 0.000 0.818 423 A HN 0.712 nan 8.150 nan 0.000 0.445 424 S N -0.657 115.055 115.700 0.019 0.000 2.489 424 S HA -0.017 4.453 4.470 -0.000 0.000 0.228 424 S C 1.587 176.195 174.600 0.014 0.000 0.995 424 S CA 1.079 59.289 58.200 0.017 0.000 0.934 424 S CB -0.221 62.992 63.200 0.021 0.000 0.771 424 S HN 0.597 nan 8.310 nan 0.000 0.522 425 K N 0.789 121.198 120.400 0.014 0.000 2.432 425 K HA 0.241 4.561 4.320 -0.000 0.000 0.196 425 K C 0.915 177.520 176.600 0.008 0.000 1.038 425 K CA 0.532 56.825 56.287 0.011 0.000 0.986 425 K CB -0.176 32.331 32.500 0.012 0.000 0.782 425 K HN 0.439 nan 8.250 nan 0.000 0.485 426 L N -0.213 121.015 121.223 0.008 0.000 2.700 426 L HA 0.225 4.565 4.340 -0.000 0.000 0.234 426 L C 1.791 178.664 176.870 0.005 0.000 1.156 426 L CA -0.229 54.614 54.840 0.006 0.000 0.946 426 L CB 0.031 42.093 42.059 0.006 0.000 1.216 426 L HN 0.033 nan 8.230 nan 0.000 0.493 427 A N 0.207 123.031 122.820 0.006 0.000 2.024 427 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 427 A C 1.601 179.187 177.584 0.003 0.000 1.164 427 A CA 1.727 53.767 52.037 0.005 0.000 0.643 427 A CB -0.211 18.791 19.000 0.005 0.000 0.806 427 A HN 0.349 nan 8.150 nan 0.000 0.451 428 D N -1.194 119.208 120.400 0.003 0.000 2.339 428 D HA 0.151 4.791 4.640 -0.000 0.000 0.217 428 D C 0.260 176.561 176.300 0.002 0.000 1.050 428 D CA -0.198 53.803 54.000 0.002 0.000 0.856 428 D CB -0.097 40.704 40.800 0.002 0.000 0.922 428 D HN 0.347 nan 8.370 nan 0.000 0.518 429 L N 1.756 122.980 121.223 0.002 0.000 2.490 429 L HA 0.115 4.455 4.340 -0.000 0.000 0.274 429 L C 0.071 176.941 176.870 0.001 0.000 1.201 429 L CA 0.560 55.401 54.840 0.002 0.000 0.869 429 L CB 0.194 42.254 42.059 0.002 0.000 1.123 429 L HN -0.238 nan 8.230 nan 0.000 0.484 430 R N 3.048 123.548 120.500 0.001 0.000 2.837 430 R HA 0.740 5.080 4.340 -0.000 0.000 0.271 430 R C -0.192 176.108 176.300 0.000 0.000 0.993 430 R CA -0.350 55.750 56.100 0.001 0.000 0.931 430 R CB 1.488 31.789 30.300 0.001 0.000 1.206 430 R HN 0.821 nan 8.270 nan 0.000 0.474 431 G N -0.355 108.446 108.800 0.000 0.000 3.119 431 G HA2 0.258 4.218 3.960 -0.000 0.000 0.206 431 G HA3 0.258 4.218 3.960 -0.000 0.000 0.206 431 G C -0.089 174.811 174.900 0.000 0.000 1.313 431 G CA -0.309 44.791 45.100 0.000 0.000 1.010 431 G HN 0.401 nan 8.290 nan 0.000 0.578 432 Q N -0.472 119.328 119.800 0.000 0.000 2.432 432 Q HA 0.143 4.483 4.340 -0.000 0.000 0.205 432 Q C 0.105 176.105 176.000 0.001 0.000 0.945 432 Q CA 0.759 56.562 55.803 0.000 0.000 0.924 432 Q CB 0.064 28.802 28.738 0.000 0.000 1.016 432 Q HN 0.591 nan 8.270 nan 0.000 0.503 433 N N -2.979 115.722 118.700 0.001 0.000 3.179 433 N HA 0.166 4.905 4.740 -0.000 0.000 0.250 433 N C 0.180 175.690 175.510 0.001 0.000 1.507 433 N CA 0.081 53.132 53.050 0.001 0.000 0.883 433 N CB 0.131 38.618 38.487 0.001 0.000 1.435 433 N HN -0.162 nan 8.380 nan 0.000 0.532 434 E N -0.462 119.739 120.200 0.001 0.000 2.150 434 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 434 E C 0.797 177.398 176.600 0.002 0.000 0.985 434 E CA 1.854 58.255 56.400 0.001 0.000 0.814 434 E CB -0.976 28.725 29.700 0.001 0.000 0.752 434 E HN 0.634 nan 8.360 nan 0.000 0.466 435 D N 0.007 120.408 120.400 0.002 0.000 2.149 435 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 435 D C 2.143 178.445 176.300 0.003 0.000 0.972 435 D CA 1.092 55.093 54.000 0.003 0.000 0.835 435 D CB -0.222 40.580 40.800 0.003 0.000 0.966 435 D HN 0.557 nan 8.370 nan 0.000 0.476 436 Q N 0.192 119.994 119.800 0.002 0.000 2.124 436 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 436 Q C 1.699 177.700 176.000 0.002 0.000 0.977 436 Q CA 0.778 56.583 55.803 0.002 0.000 0.850 436 Q CB 0.005 28.744 28.738 0.001 0.000 0.901 436 Q HN 0.248 nan 8.270 nan 0.000 0.429 437 N N 0.021 118.723 118.700 0.002 0.000 2.188 437 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 437 N C 1.828 177.339 175.510 0.002 0.000 1.018 437 N CA 0.854 53.906 53.050 0.002 0.000 0.858 437 N CB -0.246 38.242 38.487 0.002 0.000 0.989 437 N HN 0.043 nan 8.380 nan 0.000 0.426 438 V N 0.938 120.853 119.914 0.003 0.000 2.343 438 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 438 V C 2.424 178.520 176.094 0.004 0.000 1.051 438 V CA 1.969 64.271 62.300 0.003 0.000 1.036 438 V CB -1.180 30.645 31.823 0.003 0.000 0.654 438 V HN 0.332 nan 8.190 nan 0.000 0.451 439 G N -0.060 108.743 108.800 0.004 0.000 2.446 439 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 439 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 439 G C 1.584 176.486 174.900 0.003 0.000 1.168 439 G CA 1.132 46.235 45.100 0.004 0.000 0.771 439 G HN 0.486 nan 8.290 nan 0.000 0.551 440 I N 0.299 120.871 120.570 0.003 0.000 2.163 440 I HA -0.149 4.021 4.170 -0.000 0.000 0.243 440 I C 2.701 178.820 176.117 0.004 0.000 1.085 440 I CA 1.058 62.359 61.300 0.003 0.000 1.347 440 I CB -0.054 37.947 38.000 0.002 0.000 1.044 440 I HN -0.019 nan 8.210 nan 0.000 0.408 441 K N 0.417 120.819 120.400 0.004 0.000 2.097 441 K HA -0.057 4.263 4.320 -0.000 0.000 0.205 441 K C 2.121 178.724 176.600 0.006 0.000 1.050 441 K CA 0.945 57.235 56.287 0.005 0.000 0.938 441 K CB -0.749 31.753 32.500 0.004 0.000 0.718 441 K HN 0.194 nan 8.250 nan 0.000 0.442 442 V N 1.540 121.458 119.914 0.005 0.000 2.287 442 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 442 V C 2.408 178.507 176.094 0.007 0.000 1.053 442 V CA 2.101 64.404 62.300 0.006 0.000 1.027 442 V CB -0.746 31.081 31.823 0.007 0.000 0.646 442 V HN 0.300 nan 8.190 nan 0.000 0.447 443 A N -0.423 122.401 122.820 0.006 0.000 1.898 443 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 443 A C 2.172 179.761 177.584 0.008 0.000 1.181 443 A CA 1.499 53.541 52.037 0.007 0.000 0.620 443 A CB -0.467 18.536 19.000 0.004 0.000 0.819 443 A HN 0.504 nan 8.150 nan 0.000 0.442 444 L N -1.270 119.958 121.223 0.007 0.000 2.083 444 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 444 L C 2.812 179.688 176.870 0.010 0.000 1.083 444 L CA 1.725 56.571 54.840 0.009 0.000 0.752 444 L CB -0.563 41.501 42.059 0.008 0.000 0.899 444 L HN 0.402 nan 8.230 nan 0.000 0.433 445 R N 0.195 120.700 120.500 0.009 0.000 2.066 445 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 445 R C 2.440 178.746 176.300 0.011 0.000 1.131 445 R CA 1.351 57.456 56.100 0.010 0.000 0.955 445 R CB -0.275 30.030 30.300 0.008 0.000 0.851 445 R HN 0.342 nan 8.270 nan 0.000 0.432 446 A N 0.480 123.306 122.820 0.011 0.000 1.978 446 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 446 A C 2.057 179.650 177.584 0.014 0.000 1.170 446 A CA 1.502 53.546 52.037 0.012 0.000 0.636 446 A CB -0.418 18.589 19.000 0.013 0.000 0.810 446 A HN 0.328 nan 8.150 nan 0.000 0.448 447 M N -0.636 118.973 119.600 0.014 0.000 2.476 447 M HA -0.099 4.381 4.480 -0.000 0.000 0.262 447 M C 1.353 177.664 176.300 0.018 0.000 1.079 447 M CA 1.018 56.328 55.300 0.016 0.000 1.104 447 M CB -0.168 32.441 32.600 0.016 0.000 1.409 447 M HN 0.488 nan 8.290 nan 0.000 0.467 448 E N 0.059 120.269 120.200 0.017 0.000 2.435 448 E HA 0.025 4.375 4.350 -0.000 0.000 0.195 448 E C 1.960 178.569 176.600 0.015 0.000 1.029 448 E CA 0.481 56.891 56.400 0.017 0.000 0.865 448 E CB 0.038 29.747 29.700 0.015 0.000 0.833 448 E HN 0.474 nan 8.360 nan 0.000 0.510 449 A N 2.354 125.183 122.820 0.014 0.000 1.930 449 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 449 A C -0.300 177.292 177.584 0.013 0.000 1.175 449 A CA 0.945 52.989 52.037 0.012 0.000 0.627 449 A CB -1.157 17.851 19.000 0.012 0.000 0.815 449 A HN 0.119 nan 8.150 nan 0.000 0.443 450 P HA -0.166 nan 4.420 nan 0.000 0.215 450 P C 1.787 179.098 177.300 0.018 0.000 1.157 450 P CA 0.922 64.033 63.100 0.018 0.000 0.868 450 P CB -0.103 31.609 31.700 0.021 0.000 0.788 451 L N -0.766 120.469 121.223 0.020 0.000 2.042 451 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 451 L C 2.403 179.278 176.870 0.008 0.000 1.076 451 L CA 1.807 56.660 54.840 0.022 0.000 0.749 451 L CB -0.253 41.821 42.059 0.026 0.000 0.893 451 L HN -0.180 nan 8.230 nan 0.000 0.432 452 R N -1.100 119.401 120.500 0.003 0.000 2.115 452 R HA -0.175 4.165 4.340 -0.000 0.000 0.226 452 R C 2.287 178.584 176.300 -0.005 0.000 1.100 452 R CA 1.322 57.417 56.100 -0.009 0.000 0.980 452 R CB -0.182 30.115 30.300 -0.005 0.000 0.875 452 R HN 0.377 nan 8.270 nan 0.000 0.445 453 Q N 1.000 120.802 119.800 0.004 0.000 2.083 453 Q HA -0.046 4.294 4.340 -0.000 0.000 0.198 453 Q C 1.775 177.781 176.000 0.010 0.000 0.969 453 Q CA 1.381 57.188 55.803 0.005 0.000 0.838 453 Q CB -0.069 28.674 28.738 0.008 0.000 0.900 453 Q HN 0.282 nan 8.270 nan 0.000 0.436 454 I N -0.668 119.912 120.570 0.017 0.000 2.151 454 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 454 I C 2.004 178.144 176.117 0.039 0.000 1.080 454 I CA 1.108 62.425 61.300 0.028 0.000 1.339 454 I CB -0.273 37.751 38.000 0.040 0.000 1.039 454 I HN 0.076 nan 8.210 nan 0.000 0.409 455 V N 0.307 120.235 119.914 0.024 0.000 2.343 455 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 455 V C 2.324 178.417 176.094 -0.002 0.000 1.051 455 V CA 1.582 63.881 62.300 -0.000 0.000 1.036 455 V CB -0.520 31.240 31.823 -0.105 0.000 0.654 455 V HN 0.353 nan 8.190 nan 0.000 0.451 456 L N 0.864 122.083 121.223 -0.006 0.000 2.046 456 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 456 L C 2.160 179.033 176.870 0.005 0.000 1.077 456 L CA 1.911 56.749 54.840 -0.004 0.000 0.747 456 L CB -0.862 41.194 42.059 -0.004 0.000 0.896 456 L HN 0.318 nan 8.230 nan 0.000 0.432 457 N N -1.167 117.539 118.700 0.010 0.000 2.364 457 N HA -0.160 4.580 4.740 -0.000 0.000 0.183 457 N C 1.727 177.247 175.510 0.016 0.000 1.022 457 N CA 1.505 54.562 53.050 0.011 0.000 0.883 457 N CB -0.780 37.713 38.487 0.010 0.000 0.965 457 N HN 0.427 nan 8.380 nan 0.000 0.438 458 C N -0.545 118.773 119.300 0.029 0.000 2.472 458 C HA 0.207 4.667 4.460 -0.000 0.000 0.278 458 C C 1.753 176.760 174.990 0.029 0.000 1.447 458 C CA 0.366 59.407 59.018 0.039 0.000 1.773 458 C CB -1.298 26.493 27.740 0.086 0.000 1.793 458 C HN 0.623 nan 8.230 nan 0.000 0.544 459 G N 0.806 109.616 108.800 0.018 0.000 2.143 459 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.248 459 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.248 459 G C -0.151 174.755 174.900 0.011 0.000 0.991 459 G CA 0.342 45.449 45.100 0.012 0.000 0.689 459 G HN 0.524 nan 8.290 nan 0.000 0.522 460 E N 0.153 120.357 120.200 0.006 0.000 2.254 460 E HA 0.429 4.779 4.350 -0.000 0.000 0.258 460 E C 0.219 176.796 176.600 -0.037 0.000 1.033 460 E CA -0.720 55.671 56.400 -0.015 0.000 0.893 460 E CB 0.582 30.263 29.700 -0.032 0.000 1.204 460 E HN 0.493 nan 8.360 nan 0.000 0.425 461 E N 1.955 122.126 120.200 -0.049 0.000 2.052 461 E HA 0.108 4.458 4.350 -0.000 0.000 0.283 461 E C -1.640 174.921 176.600 -0.065 0.000 1.071 461 E CA -1.666 54.709 56.400 -0.043 0.000 0.851 461 E CB 0.836 30.520 29.700 -0.026 0.000 1.066 461 E HN 0.124 nan 8.360 nan 0.000 0.396 462 P HA -0.184 nan 4.420 nan 0.000 0.216 462 P C 1.179 178.453 177.300 -0.044 0.000 1.153 462 P CA 1.149 64.215 63.100 -0.057 0.000 0.858 462 P CB 0.323 32.005 31.700 -0.031 0.000 0.789 463 S N -0.941 114.743 115.700 -0.027 0.000 2.383 463 S HA -0.076 4.394 4.470 -0.000 0.000 0.227 463 S C 1.994 176.587 174.600 -0.013 0.000 1.026 463 S CA 0.959 59.150 58.200 -0.015 0.000 0.981 463 S CB -0.964 62.231 63.200 -0.009 0.000 0.818 463 S HN -0.047 nan 8.310 nan 0.000 0.472 464 V N 1.114 121.016 119.914 -0.019 0.000 2.323 464 V HA -0.085 4.035 4.120 -0.000 0.000 0.244 464 V C 2.257 178.354 176.094 0.004 0.000 1.041 464 V CA 1.260 63.557 62.300 -0.005 0.000 1.025 464 V CB -0.534 31.287 31.823 -0.003 0.000 0.656 464 V HN 0.323 nan 8.190 nan 0.000 0.451 465 V N 0.357 120.243 119.914 -0.047 0.000 2.358 465 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 465 V C 2.686 178.791 176.094 0.018 0.000 1.047 465 V CA 1.945 64.207 62.300 -0.063 0.000 1.035 465 V CB -1.076 30.521 31.823 -0.376 0.000 0.658 465 V HN 0.547 nan 8.190 nan 0.000 0.452 466 A N 0.391 123.207 122.820 -0.007 0.000 1.902 466 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 466 A C 2.072 179.682 177.584 0.044 0.000 1.181 466 A CA 2.274 54.324 52.037 0.023 0.000 0.623 466 A CB -0.863 18.142 19.000 0.008 0.000 0.818 466 A HN 0.592 nan 8.150 nan 0.000 0.443 467 N N -0.582 118.136 118.700 0.029 0.000 2.104 467 N HA -0.129 4.611 4.740 -0.000 0.000 0.190 467 N C 1.691 177.223 175.510 0.037 0.000 1.024 467 N CA 2.306 55.371 53.050 0.026 0.000 0.853 467 N CB -0.339 38.154 38.487 0.011 0.000 1.008 467 N HN 0.427 nan 8.380 nan 0.000 0.424 468 T N -0.628 113.955 114.554 0.049 0.000 2.737 468 T HA -0.057 4.293 4.350 -0.000 0.000 0.265 468 T C 1.972 176.766 174.700 0.158 0.000 1.038 468 T CA 1.209 63.328 62.100 0.031 0.000 1.144 468 T CB -0.439 68.381 68.868 -0.081 0.000 0.866 468 T HN 0.003 nan 8.240 nan 0.000 0.434 469 V N 1.737 121.791 119.914 0.234 0.000 2.295 469 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 469 V C 2.442 178.668 176.094 0.219 0.000 1.049 469 V CA 1.575 64.056 62.300 0.300 0.000 1.024 469 V CB -0.501 31.446 31.823 0.207 0.000 0.648 469 V HN 0.474 nan 8.190 nan 0.000 0.447 470 K N 0.185 120.659 120.400 0.123 0.000 2.280 470 K HA -0.090 4.230 4.320 -0.000 0.000 0.202 470 K C 2.025 178.658 176.600 0.054 0.000 1.047 470 K CA 1.280 57.614 56.287 0.078 0.000 0.942 470 K CB -0.422 32.107 32.500 0.048 0.000 0.739 470 K HN 0.580 nan 8.250 nan 0.000 0.457 471 G N 0.783 109.609 108.800 0.042 0.000 2.712 471 G HA2 0.016 3.976 3.960 -0.000 0.000 0.212 471 G HA3 0.016 3.976 3.960 -0.000 0.000 0.212 471 G C 0.647 175.509 174.900 -0.064 0.000 1.142 471 G CA 0.295 45.386 45.100 -0.014 0.000 0.789 471 G HN 0.319 nan 8.290 nan 0.000 0.535 472 G N -0.232 108.545 108.800 -0.039 0.000 2.583 472 G HA2 0.543 4.503 3.960 -0.000 0.000 0.280 472 G HA3 0.543 4.503 3.960 -0.000 0.000 0.280 472 G C -0.912 173.969 174.900 -0.032 0.000 1.376 472 G CA -0.167 44.817 45.100 -0.194 0.000 1.043 472 G HN 0.318 nan 8.290 nan 0.000 0.538 473 D N -3.442 116.945 120.400 -0.021 0.000 2.664 473 D HA 0.583 5.223 4.640 -0.000 0.000 0.292 473 D C 0.709 177.065 176.300 0.093 0.000 1.214 473 D CA 0.201 54.231 54.000 0.049 0.000 0.932 473 D CB 0.521 41.328 40.800 0.012 0.000 1.420 473 D HN 1.339 nan 8.370 nan 0.000 0.471 474 G N 0.323 109.168 108.800 0.075 0.000 2.591 474 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.298 474 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.298 474 G C 0.290 175.252 174.900 0.104 0.000 1.195 474 G CA 0.549 45.694 45.100 0.075 0.000 0.989 474 G HN 0.724 nan 8.290 nan 0.000 0.551 475 N N -0.096 118.669 118.700 0.109 0.000 2.314 475 N HA 0.255 4.995 4.740 -0.000 0.000 0.200 475 N C 0.302 175.900 175.510 0.146 0.000 1.135 475 N CA -0.105 53.007 53.050 0.104 0.000 0.835 475 N CB 0.204 38.734 38.487 0.071 0.000 0.989 475 N HN 0.472 nan 8.380 nan 0.000 0.478 476 Y N 1.518 121.852 120.300 0.057 0.000 2.620 476 Y HA 0.271 4.821 4.550 0.000 0.000 0.330 476 Y C 0.788 176.759 175.900 0.120 0.000 1.186 476 Y CA 0.420 58.571 58.100 0.084 0.000 1.467 476 Y CB 0.081 38.584 38.460 0.070 0.000 1.262 476 Y HN 0.032 nan 8.280 nan 0.000 0.550 477 G N 3.937 112.525 108.800 -0.354 0.000 2.619 477 G HA2 0.252 4.212 3.960 -0.000 0.000 0.305 477 G HA3 0.252 4.212 3.960 -0.000 0.000 0.305 477 G C -2.494 172.309 174.900 -0.160 0.000 1.330 477 G CA -0.941 44.064 45.100 -0.157 0.000 0.789 477 G HN 0.507 nan 8.290 nan 0.000 0.487 478 Y N 1.573 121.732 120.300 -0.235 0.000 2.328 478 Y HA 0.579 5.129 4.550 -0.000 0.000 0.337 478 Y C -0.072 175.670 175.900 -0.263 0.000 0.966 478 Y CA -1.415 56.450 58.100 -0.390 0.000 1.136 478 Y CB 1.509 39.720 38.460 -0.415 0.000 1.170 478 Y HN 0.435 nan 8.280 nan 0.000 0.470 479 N N 4.743 123.039 118.700 -0.673 0.000 2.415 479 N HA 0.160 4.900 4.740 -0.000 0.000 0.250 479 N C 0.381 175.445 175.510 -0.743 0.000 1.127 479 N CA 0.581 53.317 53.050 -0.523 0.000 0.945 479 N CB 1.361 39.631 38.487 -0.361 0.000 1.196 479 N HN 0.888 nan 8.380 nan 0.000 0.499 480 A N 3.646 126.192 122.820 -0.457 0.000 2.066 480 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 480 A C 1.981 179.436 177.584 -0.216 0.000 1.157 480 A CA 1.297 53.146 52.037 -0.313 0.000 0.670 480 A CB -0.321 18.652 19.000 -0.044 0.000 0.804 480 A HN 0.706 nan 8.150 nan 0.000 0.453 481 A N -0.234 122.471 122.820 -0.193 0.000 1.929 481 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 481 A C 2.305 179.804 177.584 -0.142 0.000 1.176 481 A CA 2.234 54.192 52.037 -0.132 0.000 0.628 481 A CB -0.803 18.138 19.000 -0.100 0.000 0.816 481 A HN 0.691 nan 8.150 nan 0.000 0.444 482 T N -4.422 110.013 114.554 -0.200 0.000 3.014 482 T HA 0.251 4.601 4.350 -0.000 0.000 0.250 482 T C 0.336 174.913 174.700 -0.205 0.000 1.060 482 T CA 0.661 62.662 62.100 -0.165 0.000 1.040 482 T CB -0.089 68.689 68.868 -0.151 0.000 0.971 482 T HN 0.530 nan 8.240 nan 0.000 0.497 483 E N 1.086 121.064 120.200 -0.370 0.000 2.553 483 E HA -0.117 4.233 4.350 -0.000 0.000 0.264 483 E C -0.910 175.486 176.600 -0.340 0.000 1.068 483 E CA 0.395 56.552 56.400 -0.404 0.000 0.774 483 E CB -0.926 28.726 29.700 -0.080 0.000 1.349 483 E HN 0.640 nan 8.360 nan 0.000 0.404 484 E N -0.438 119.471 120.200 -0.485 0.000 2.336 484 E HA 0.412 4.762 4.350 -0.000 0.000 0.267 484 E C -0.558 175.818 176.600 -0.373 0.000 0.906 484 E CA -0.692 55.559 56.400 -0.249 0.000 0.781 484 E CB 1.020 30.650 29.700 -0.118 0.000 1.261 484 E HN 0.044 nan 8.360 nan 0.000 0.436 485 Y N -0.211 120.056 120.300 -0.055 0.000 2.354 485 Y HA 0.613 5.163 4.550 0.000 0.000 0.322 485 Y C 1.130 176.947 175.900 -0.139 0.000 1.253 485 Y CA 0.453 58.472 58.100 -0.134 0.000 1.272 485 Y CB 1.837 40.255 38.460 -0.071 0.000 1.255 485 Y HN 0.679 nan 8.280 nan 0.000 0.500 486 G N 0.782 109.532 108.800 -0.085 0.000 2.325 486 G HA2 0.002 3.962 3.960 -0.000 0.000 0.295 486 G HA3 0.002 3.962 3.960 -0.000 0.000 0.295 486 G C -1.949 172.954 174.900 0.005 0.000 1.274 486 G CA -1.154 43.963 45.100 0.027 0.000 0.857 486 G HN 0.492 nan 8.290 nan 0.000 0.499 487 N N 0.923 119.662 118.700 0.065 0.000 2.422 487 N HA 0.167 4.907 4.740 -0.000 0.000 0.264 487 N C 1.610 177.131 175.510 0.018 0.000 1.063 487 N CA -0.537 52.554 53.050 0.069 0.000 0.959 487 N CB 1.010 39.545 38.487 0.080 0.000 1.087 487 N HN 0.353 nan 8.380 nan 0.000 0.483 488 M N 3.354 122.961 119.600 0.011 0.000 2.159 488 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 488 M C 1.519 177.818 176.300 -0.001 0.000 1.063 488 M CA 0.949 56.244 55.300 -0.009 0.000 1.110 488 M CB -0.596 32.001 32.600 -0.004 0.000 1.374 488 M HN 0.522 nan 8.290 nan 0.000 0.411 489 I N 0.856 121.434 120.570 0.013 0.000 2.163 489 I HA -0.238 3.932 4.170 -0.000 0.000 0.240 489 I C 1.930 178.053 176.117 0.009 0.000 1.081 489 I CA 1.404 62.711 61.300 0.013 0.000 1.353 489 I CB -1.782 36.229 38.000 0.020 0.000 1.054 489 I HN 0.216 nan 8.210 nan 0.000 0.407 490 D N 0.564 120.972 120.400 0.014 0.000 2.182 490 D HA -0.167 4.473 4.640 -0.000 0.000 0.201 490 D C 2.193 178.493 176.300 -0.001 0.000 0.986 490 D CA 1.165 55.171 54.000 0.010 0.000 0.847 490 D CB -0.237 40.574 40.800 0.018 0.000 0.942 490 D HN 0.348 nan 8.370 nan 0.000 0.467 491 M N -0.722 118.873 119.600 -0.009 0.000 2.618 491 M HA 0.139 4.619 4.480 -0.000 0.000 0.240 491 M C 1.024 177.309 176.300 -0.025 0.000 1.123 491 M CA 0.538 55.824 55.300 -0.025 0.000 1.060 491 M CB 0.399 32.971 32.600 -0.046 0.000 1.535 491 M HN 0.078 nan 8.290 nan 0.000 0.507 492 G N 2.140 110.931 108.800 -0.015 0.000 2.176 492 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.252 492 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.252 492 G C -0.038 174.853 174.900 -0.016 0.000 1.024 492 G CA -0.211 44.882 45.100 -0.013 0.000 0.755 492 G HN 0.534 nan 8.290 nan 0.000 0.507 493 I N 1.031 121.590 120.570 -0.019 0.000 2.361 493 I HA 0.468 4.638 4.170 -0.000 0.000 0.282 493 I C 0.395 176.507 176.117 -0.007 0.000 1.075 493 I CA -0.512 60.776 61.300 -0.020 0.000 1.205 493 I CB 0.607 38.585 38.000 -0.036 0.000 1.406 493 I HN -0.027 nan 8.210 nan 0.000 0.481 494 L N 4.770 125.992 121.223 -0.001 0.000 2.354 494 L HA 0.645 4.985 4.340 -0.000 0.000 0.269 494 L C -0.995 175.881 176.870 0.011 0.000 1.005 494 L CA -0.878 53.966 54.840 0.007 0.000 0.819 494 L CB 2.256 44.320 42.059 0.008 0.000 1.311 494 L HN 0.352 nan 8.230 nan 0.000 0.423 495 D N 1.511 121.920 120.400 0.015 0.000 2.481 495 D HA 0.403 5.043 4.640 -0.000 0.000 0.244 495 D C -2.583 173.731 176.300 0.023 0.000 1.057 495 D CA -1.497 52.516 54.000 0.021 0.000 0.848 495 D CB 2.324 43.137 40.800 0.022 0.000 1.388 495 D HN 0.120 nan 8.370 nan 0.000 0.475 496 P HA 0.088 nan 4.420 nan 0.000 0.267 496 P C 0.786 178.101 177.300 0.026 0.000 1.205 496 P CA -0.033 63.082 63.100 0.025 0.000 0.765 496 P CB 0.634 32.353 31.700 0.032 0.000 0.828 497 T N 2.570 117.136 114.554 0.020 0.000 2.737 497 T HA -0.231 4.119 4.350 -0.000 0.000 0.269 497 T C 1.592 176.306 174.700 0.023 0.000 1.040 497 T CA 1.428 63.540 62.100 0.019 0.000 1.142 497 T CB -0.323 68.554 68.868 0.014 0.000 0.861 497 T HN 0.513 nan 8.240 nan 0.000 0.456 498 K N 0.936 121.351 120.400 0.024 0.000 2.147 498 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 498 K C 2.394 179.022 176.600 0.047 0.000 1.049 498 K CA 1.328 57.633 56.287 0.030 0.000 0.936 498 K CB -0.260 32.255 32.500 0.025 0.000 0.722 498 K HN 0.353 nan 8.250 nan 0.000 0.446 499 V N -0.229 119.716 119.914 0.051 0.000 2.488 499 V HA -0.122 3.998 4.120 -0.000 0.000 0.246 499 V C 1.692 177.820 176.094 0.057 0.000 1.046 499 V CA 2.161 64.499 62.300 0.064 0.000 1.053 499 V CB -0.439 31.424 31.823 0.067 0.000 0.679 499 V HN 0.304 nan 8.190 nan 0.000 0.458 500 T N 0.632 115.212 114.554 0.042 0.000 2.737 500 T HA -0.139 4.211 4.350 -0.000 0.000 0.265 500 T C 1.948 176.667 174.700 0.033 0.000 1.038 500 T CA 2.060 64.181 62.100 0.036 0.000 1.144 500 T CB -0.377 68.508 68.868 0.028 0.000 0.866 500 T HN 0.601 nan 8.240 nan 0.000 0.434 501 R N 1.039 121.554 120.500 0.025 0.000 2.080 501 R HA -0.124 4.216 4.340 -0.000 0.000 0.236 501 R C 2.565 178.871 176.300 0.010 0.000 1.137 501 R CA 2.001 58.106 56.100 0.009 0.000 0.943 501 R CB -0.486 29.815 30.300 0.002 0.000 0.846 501 R HN 0.251 nan 8.270 nan 0.000 0.431 502 S N 0.556 116.286 115.700 0.049 0.000 2.370 502 S HA -0.170 4.300 4.470 -0.000 0.000 0.226 502 S C 2.040 176.739 174.600 0.165 0.000 1.033 502 S CA 1.247 59.514 58.200 0.112 0.000 1.011 502 S CB -0.343 62.991 63.200 0.224 0.000 0.852 502 S HN 0.598 nan 8.310 nan 0.000 0.457 503 A N 1.313 124.208 122.820 0.126 0.000 1.908 503 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 503 A C 2.149 179.786 177.584 0.089 0.000 1.181 503 A CA 1.514 53.622 52.037 0.119 0.000 0.627 503 A CB -0.712 18.333 19.000 0.075 0.000 0.818 503 A HN 0.420 nan 8.150 nan 0.000 0.445 504 L N -0.356 120.894 121.223 0.045 0.000 2.056 504 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 504 L C 2.455 179.318 176.870 -0.012 0.000 1.078 504 L CA 2.247 57.098 54.840 0.018 0.000 0.749 504 L CB -0.612 41.450 42.059 0.005 0.000 0.901 504 L HN 0.495 nan 8.230 nan 0.000 0.433 505 Q N -1.912 117.846 119.800 -0.070 0.000 2.123 505 Q HA -0.178 4.162 4.340 -0.000 0.000 0.199 505 Q C 2.074 177.937 176.000 -0.228 0.000 0.966 505 Q CA 1.729 57.421 55.803 -0.186 0.000 0.845 505 Q CB -0.194 28.358 28.738 -0.310 0.000 0.907 505 Q HN 0.536 nan 8.270 nan 0.000 0.439 506 Y N 0.002 120.306 120.300 0.006 0.000 2.314 506 Y HA -0.082 4.468 4.550 0.000 0.000 0.293 506 Y C 2.295 178.198 175.900 0.005 0.000 1.129 506 Y CA 0.785 58.888 58.100 0.005 0.000 1.201 506 Y CB -0.501 37.962 38.460 0.005 0.000 0.999 506 Y HN 0.118 nan 8.280 nan 0.000 0.541 507 A N 0.292 123.193 122.820 0.135 0.000 1.858 507 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 507 A C 2.489 180.106 177.584 0.054 0.000 1.190 507 A CA 2.030 54.116 52.037 0.082 0.000 0.617 507 A CB -1.313 17.722 19.000 0.059 0.000 0.827 507 A HN 0.376 nan 8.150 nan 0.000 0.443 508 A N -0.783 122.055 122.820 0.029 0.000 1.908 508 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 508 A C 2.508 180.099 177.584 0.012 0.000 1.181 508 A CA 2.397 54.440 52.037 0.010 0.000 0.627 508 A CB -1.042 17.951 19.000 -0.012 0.000 0.818 508 A HN 0.626 nan 8.150 nan 0.000 0.445 509 S N -0.736 114.972 115.700 0.013 0.000 2.348 509 S HA -0.133 4.337 4.470 -0.000 0.000 0.221 509 S C 1.910 176.538 174.600 0.047 0.000 1.033 509 S CA 1.812 60.026 58.200 0.023 0.000 1.010 509 S CB -0.518 62.702 63.200 0.033 0.000 0.891 509 S HN 0.304 nan 8.310 nan 0.000 0.442 510 V N 2.137 122.093 119.914 0.070 0.000 2.427 510 V HA -0.037 4.083 4.120 -0.000 0.000 0.248 510 V C 2.877 178.994 176.094 0.039 0.000 1.051 510 V CA 1.580 63.914 62.300 0.058 0.000 1.048 510 V CB -1.329 30.532 31.823 0.065 0.000 0.666 510 V HN 0.615 nan 8.190 nan 0.000 0.456 511 A N 0.665 123.506 122.820 0.036 0.000 1.902 511 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 511 A C 2.417 180.014 177.584 0.021 0.000 1.181 511 A CA 1.953 54.006 52.037 0.026 0.000 0.623 511 A CB -1.188 17.826 19.000 0.023 0.000 0.818 511 A HN 0.517 nan 8.150 nan 0.000 0.443 512 G N -0.117 108.694 108.800 0.019 0.000 2.418 512 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 512 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 512 G C 1.533 176.443 174.900 0.017 0.000 1.158 512 G CA 1.004 46.113 45.100 0.015 0.000 0.771 512 G HN 0.439 nan 8.290 nan 0.000 0.545 513 L N -0.160 121.075 121.223 0.021 0.000 2.079 513 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 513 L C 3.081 179.963 176.870 0.020 0.000 1.081 513 L CA 1.113 55.965 54.840 0.020 0.000 0.752 513 L CB -0.320 41.753 42.059 0.024 0.000 0.896 513 L HN 0.261 nan 8.230 nan 0.000 0.433 514 M N -1.008 118.605 119.600 0.021 0.000 2.287 514 M HA -0.102 4.378 4.480 -0.000 0.000 0.266 514 M C 2.305 178.616 176.300 0.019 0.000 1.079 514 M CA 1.477 56.789 55.300 0.020 0.000 1.146 514 M CB -0.206 32.407 32.600 0.022 0.000 1.374 514 M HN 0.181 nan 8.290 nan 0.000 0.435 515 I N 0.510 121.091 120.570 0.017 0.000 2.361 515 I HA -0.219 3.951 4.170 -0.000 0.000 0.251 515 I C 1.798 177.925 176.117 0.017 0.000 1.133 515 I CA 1.473 62.782 61.300 0.016 0.000 1.413 515 I CB -0.370 37.638 38.000 0.014 0.000 1.073 515 I HN 0.383 nan 8.210 nan 0.000 0.424 516 T N -3.269 111.295 114.554 0.017 0.000 3.223 516 T HA 0.160 4.510 4.350 -0.000 0.000 0.259 516 T C 0.505 175.217 174.700 0.021 0.000 1.015 516 T CA -0.317 61.794 62.100 0.018 0.000 0.908 516 T CB -0.408 68.470 68.868 0.016 0.000 1.054 516 T HN -0.074 nan 8.240 nan 0.000 0.567 517 T N 2.264 116.830 114.554 0.020 0.000 2.817 517 T HA 0.332 4.682 4.350 -0.000 0.000 0.293 517 T C 0.659 175.373 174.700 0.024 0.000 0.964 517 T CA -0.374 61.737 62.100 0.019 0.000 1.085 517 T CB 1.552 70.430 68.868 0.016 0.000 0.921 517 T HN 0.100 nan 8.240 nan 0.000 0.502 518 E N 0.732 120.950 120.200 0.029 0.000 2.434 518 E HA 0.190 4.540 4.350 -0.000 0.000 0.207 518 E C -0.024 176.598 176.600 0.036 0.000 0.929 518 E CA -0.030 56.405 56.400 0.059 0.000 1.001 518 E CB 0.458 30.214 29.700 0.093 0.000 1.016 518 E HN 0.605 nan 8.360 nan 0.000 0.502 519 C N 0.462 119.734 119.300 -0.046 0.000 2.880 519 C HA 0.740 5.200 4.460 -0.000 0.000 0.320 519 C C -1.347 173.551 174.990 -0.153 0.000 1.176 519 C CA -0.730 58.149 59.018 -0.232 0.000 1.390 519 C CB 0.204 27.735 27.740 -0.348 0.000 1.846 519 C HN 0.191 nan 8.230 nan 0.000 0.478 520 M N 5.228 124.734 119.600 -0.156 0.000 2.326 520 M HA 0.590 5.070 4.480 -0.000 0.000 0.306 520 M C -1.037 175.323 176.300 0.101 0.000 1.054 520 M CA -0.567 54.761 55.300 0.046 0.000 0.922 520 M CB 2.093 34.850 32.600 0.262 0.000 1.632 520 M HN 0.408 nan 8.290 nan 0.000 0.436 521 V N 1.335 121.268 119.914 0.031 0.000 2.448 521 V HA 0.763 4.883 4.120 -0.000 0.000 0.295 521 V C -0.276 175.756 176.094 -0.102 0.000 1.025 521 V CA -0.426 61.870 62.300 -0.007 0.000 0.859 521 V CB 1.831 33.633 31.823 -0.035 0.000 0.988 521 V HN 0.944 nan 8.190 nan 0.000 0.431 522 T N 1.788 116.234 114.554 -0.179 0.000 2.843 522 T HA 0.377 4.727 4.350 -0.000 0.000 0.302 522 T C -1.249 173.343 174.700 -0.180 0.000 1.232 522 T CA -0.608 61.328 62.100 -0.275 0.000 1.009 522 T CB 1.747 70.259 68.868 -0.594 0.000 1.254 522 T HN 0.665 nan 8.240 nan 0.000 0.504 523 D N 2.254 122.566 120.400 -0.147 0.000 2.525 523 D HA 0.147 4.787 4.640 -0.000 0.000 0.235 523 D C 0.138 176.383 176.300 -0.092 0.000 1.137 523 D CA 0.037 53.979 54.000 -0.096 0.000 0.868 523 D CB 0.270 41.023 40.800 -0.079 0.000 1.180 523 D HN 0.232 nan 8.370 nan 0.000 0.465 524 L N 4.543 125.742 121.223 -0.039 0.000 2.499 524 L HA 0.131 4.471 4.340 -0.000 0.000 0.273 524 L C -1.811 175.047 176.870 -0.020 0.000 1.195 524 L CA -1.384 53.449 54.840 -0.012 0.000 0.882 524 L CB -0.258 41.805 42.059 0.007 0.000 1.133 524 L HN 0.261 nan 8.230 nan 0.000 0.483 525 P HA 0.143 nan 4.420 nan 0.000 0.263 525 P C -0.577 176.720 177.300 -0.006 0.000 1.345 525 P CA 0.328 63.420 63.100 -0.013 0.000 1.119 525 P CB 0.192 31.895 31.700 0.004 0.000 1.363 526 K N 0.000 120.394 120.400 -0.011 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 526 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543