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 3fbh_1_M DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNKDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 0.000 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 2 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 3 A N 1.911 124.733 122.820 0.002 0.000 2.477 3 A HA 0.589 4.909 4.320 -0.000 0.000 0.246 3 A C 0.030 177.618 177.584 0.006 0.000 1.078 3 A CA 0.230 52.272 52.037 0.009 0.000 0.770 3 A CB 0.060 19.067 19.000 0.012 0.000 1.011 3 A HN 0.571 nan 8.150 nan 0.000 0.494 4 K N 1.827 122.237 120.400 0.017 0.000 2.316 4 K HA 0.340 4.660 4.320 -0.000 0.000 0.251 4 K C -1.379 175.252 176.600 0.051 0.000 0.934 4 K CA -0.687 55.609 56.287 0.015 0.000 0.802 4 K CB 2.057 34.564 32.500 0.012 0.000 1.171 4 K HN 0.761 nan 8.250 nan 0.000 0.426 5 D N 1.883 122.326 120.400 0.070 0.000 2.280 5 D HA 0.280 4.920 4.640 -0.000 0.000 0.243 5 D C -0.934 175.529 176.300 0.271 0.000 1.129 5 D CA -0.438 53.669 54.000 0.177 0.000 0.848 5 D CB 0.959 41.914 40.800 0.259 0.000 1.107 5 D HN 0.066 nan 8.370 nan 0.000 0.471 6 V N 4.430 124.453 119.914 0.181 0.000 2.555 6 V HA 0.491 4.611 4.120 -0.000 0.000 0.302 6 V C 0.201 176.245 176.094 -0.084 0.000 1.038 6 V CA -0.781 61.551 62.300 0.053 0.000 0.887 6 V CB 1.831 33.637 31.823 -0.028 0.000 0.991 6 V HN 0.430 nan 8.190 nan 0.000 0.434 7 K N 3.171 123.374 120.400 -0.328 0.000 2.426 7 K HA 0.755 5.075 4.320 -0.000 0.000 0.251 7 K C -1.668 174.636 176.600 -0.492 0.000 0.941 7 K CA -0.510 55.554 56.287 -0.371 0.000 0.808 7 K CB 2.579 34.700 32.500 -0.631 0.000 1.265 7 K HN 0.455 nan 8.250 nan 0.000 0.432 8 F N -0.192 119.709 119.950 -0.082 0.000 2.611 8 F HA 0.456 4.983 4.527 -0.000 0.000 0.324 8 F C 1.208 176.981 175.800 -0.045 0.000 1.061 8 F CA 0.043 58.019 58.000 -0.040 0.000 0.954 8 F CB 1.715 40.701 39.000 -0.024 0.000 1.301 8 F HN 0.803 nan 8.300 nan 0.000 0.482 9 G N 1.621 110.525 108.800 0.174 0.000 2.632 9 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.322 9 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.322 9 G C 1.195 176.116 174.900 0.036 0.000 1.326 9 G CA 0.819 45.972 45.100 0.089 0.000 0.986 9 G HN 0.811 nan 8.290 nan 0.000 0.541 10 N N 0.336 119.050 118.700 0.024 0.000 2.061 10 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 10 N C 1.877 177.379 175.510 -0.015 0.000 1.030 10 N CA 2.305 55.358 53.050 0.005 0.000 0.856 10 N CB -0.395 38.094 38.487 0.003 0.000 1.023 10 N HN 0.581 nan 8.380 nan 0.000 0.424 11 D N 0.337 120.726 120.400 -0.019 0.000 2.192 11 D HA -0.187 4.453 4.640 -0.000 0.000 0.189 11 D C 1.722 177.955 176.300 -0.111 0.000 1.007 11 D CA 1.903 55.867 54.000 -0.060 0.000 0.859 11 D CB -0.421 40.345 40.800 -0.057 0.000 0.936 11 D HN 0.430 nan 8.370 nan 0.000 0.447 12 A N 0.023 122.774 122.820 -0.114 0.000 1.930 12 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 12 A C 2.307 179.859 177.584 -0.054 0.000 1.175 12 A CA 1.316 53.270 52.037 -0.138 0.000 0.627 12 A CB -0.370 18.556 19.000 -0.124 0.000 0.815 12 A HN 0.217 nan 8.150 nan 0.000 0.443 13 R N -0.180 120.304 120.500 -0.026 0.000 2.115 13 R HA -0.100 4.240 4.340 -0.000 0.000 0.230 13 R C 2.056 178.353 176.300 -0.004 0.000 1.111 13 R CA 1.500 57.598 56.100 -0.005 0.000 0.976 13 R CB -0.625 29.676 30.300 0.002 0.000 0.870 13 R HN 0.587 nan 8.270 nan 0.000 0.445 14 V N -0.775 119.130 119.914 -0.016 0.000 2.626 14 V HA -0.121 3.999 4.120 -0.000 0.000 0.252 14 V C 1.752 177.842 176.094 -0.006 0.000 1.067 14 V CA 1.430 63.723 62.300 -0.012 0.000 1.081 14 V CB -0.313 31.498 31.823 -0.020 0.000 0.686 14 V HN 0.073 nan 8.190 nan 0.000 0.468 15 K N -0.241 120.153 120.400 -0.011 0.000 2.186 15 K HA 0.244 4.564 4.320 -0.000 0.000 0.202 15 K C 2.079 178.710 176.600 0.051 0.000 1.052 15 K CA 1.263 57.563 56.287 0.022 0.000 0.965 15 K CB -0.213 32.300 32.500 0.022 0.000 0.746 15 K HN 0.499 nan 8.250 nan 0.000 0.457 16 M N 0.267 119.894 119.600 0.044 0.000 2.123 16 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 16 M C 2.129 178.446 176.300 0.028 0.000 1.069 16 M CA 0.998 56.325 55.300 0.044 0.000 1.133 16 M CB -0.252 32.372 32.600 0.040 0.000 1.356 16 M HN -0.011 nan 8.290 nan 0.000 0.415 17 L N 0.628 121.863 121.223 0.020 0.000 1.990 17 L HA -0.241 4.099 4.340 -0.000 0.000 0.213 17 L C 2.447 179.327 176.870 0.015 0.000 1.072 17 L CA 1.983 56.832 54.840 0.015 0.000 0.755 17 L CB -0.748 41.317 42.059 0.010 0.000 0.889 17 L HN 0.172 nan 8.230 nan 0.000 0.432 18 R N -0.362 120.147 120.500 0.016 0.000 2.140 18 R HA -0.185 4.155 4.340 -0.000 0.000 0.250 18 R C 2.086 178.396 176.300 0.018 0.000 1.150 18 R CA 1.961 58.071 56.100 0.016 0.000 0.966 18 R CB -1.197 29.114 30.300 0.019 0.000 0.869 18 R HN 0.550 nan 8.270 nan 0.000 0.445 19 G N -0.885 107.929 108.800 0.023 0.000 2.426 19 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.214 19 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.214 19 G C 1.431 176.338 174.900 0.013 0.000 1.156 19 G CA 0.645 45.756 45.100 0.020 0.000 0.802 19 G HN 0.340 nan 8.290 nan 0.000 0.534 20 V N -0.135 119.787 119.914 0.014 0.000 2.407 20 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 20 V C 2.239 178.338 176.094 0.008 0.000 1.055 20 V CA 2.121 64.427 62.300 0.010 0.000 1.049 20 V CB -0.663 31.167 31.823 0.012 0.000 0.662 20 V HN 0.185 nan 8.190 nan 0.000 0.455 21 N N 0.858 119.563 118.700 0.009 0.000 2.244 21 N HA -0.060 4.680 4.740 -0.000 0.000 0.183 21 N C 1.785 177.298 175.510 0.005 0.000 1.016 21 N CA 1.717 54.771 53.050 0.007 0.000 0.866 21 N CB -0.331 38.160 38.487 0.007 0.000 0.980 21 N HN 0.541 nan 8.380 nan 0.000 0.430 22 V N 1.539 121.456 119.914 0.005 0.000 2.255 22 V HA -0.159 3.961 4.120 -0.000 0.000 0.243 22 V C 2.408 178.502 176.094 0.001 0.000 1.038 22 V CA 0.923 63.224 62.300 0.003 0.000 1.008 22 V CB -0.759 31.066 31.823 0.004 0.000 0.645 22 V HN 0.159 nan 8.190 nan 0.000 0.449 23 L N 1.304 122.527 121.223 0.001 0.000 1.965 23 L HA -0.251 4.089 4.340 -0.000 0.000 0.226 23 L C 2.492 179.362 176.870 -0.001 0.000 1.083 23 L CA 2.776 57.615 54.840 -0.002 0.000 0.790 23 L CB -1.395 40.663 42.059 -0.002 0.000 0.898 23 L HN 0.261 nan 8.230 nan 0.000 0.439 24 A N -0.616 122.204 122.820 0.001 0.000 1.873 24 A HA -0.362 3.958 4.320 -0.000 0.000 0.219 24 A C 2.010 179.595 177.584 0.002 0.000 1.269 24 A CA 2.596 54.634 52.037 0.002 0.000 0.671 24 A CB -1.504 17.499 19.000 0.005 0.000 0.842 24 A HN 0.664 nan 8.150 nan 0.000 0.460 25 D N -0.514 119.887 120.400 0.002 0.000 2.263 25 D HA 0.081 4.721 4.640 -0.000 0.000 0.208 25 D C 2.003 178.303 176.300 0.000 0.000 0.971 25 D CA 1.220 55.221 54.000 0.002 0.000 0.867 25 D CB -0.261 40.540 40.800 0.002 0.000 0.929 25 D HN 0.493 nan 8.370 nan 0.000 0.492 26 A N -0.150 122.670 122.820 -0.001 0.000 1.968 26 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 26 A C 2.197 179.779 177.584 -0.003 0.000 1.169 26 A CA 0.898 52.933 52.037 -0.002 0.000 0.638 26 A CB -0.050 18.948 19.000 -0.004 0.000 0.812 26 A HN 0.180 nan 8.150 nan 0.000 0.446 27 V N 0.412 120.324 119.914 -0.003 0.000 3.085 27 V HA -0.090 4.030 4.120 -0.000 0.000 0.245 27 V C 2.213 178.306 176.094 -0.002 0.000 1.114 27 V CA 1.412 63.709 62.300 -0.004 0.000 1.108 27 V CB -0.257 31.563 31.823 -0.005 0.000 0.798 27 V HN 0.776 nan 8.190 nan 0.000 0.471 28 K N 1.857 122.257 120.400 0.000 0.000 2.362 28 K HA -0.082 4.238 4.320 -0.000 0.000 0.200 28 K C 1.706 178.307 176.600 0.002 0.000 1.046 28 K CA 1.698 57.986 56.287 0.002 0.000 0.952 28 K CB -0.529 31.973 32.500 0.004 0.000 0.753 28 K HN 0.492 nan 8.250 nan 0.000 0.466 29 V N -0.528 119.387 119.914 0.001 0.000 3.041 29 V HA -0.094 4.026 4.120 -0.000 0.000 0.260 29 V C 2.131 178.225 176.094 0.000 0.000 1.105 29 V CA 1.392 63.693 62.300 0.001 0.000 1.125 29 V CB -0.729 31.094 31.823 0.000 0.000 0.730 29 V HN 0.501 nan 8.190 nan 0.000 0.479 30 T N -1.999 112.554 114.554 -0.001 0.000 3.051 30 T HA 0.237 4.587 4.350 -0.000 0.000 0.255 30 T C 0.695 175.394 174.700 -0.002 0.000 1.085 30 T CA -0.030 62.068 62.100 -0.003 0.000 1.109 30 T CB -0.196 68.669 68.868 -0.004 0.000 0.921 30 T HN 0.327 nan 8.240 nan 0.000 0.488 31 L N 2.682 123.905 121.223 -0.001 0.000 2.490 31 L HA 0.489 4.829 4.340 -0.000 0.000 0.274 31 L C 0.813 177.683 176.870 0.001 0.000 1.201 31 L CA 1.672 56.512 54.840 0.000 0.000 0.869 31 L CB -0.612 41.449 42.059 0.003 0.000 1.123 31 L HN 0.763 nan 8.230 nan 0.000 0.484 32 G N 4.005 112.804 108.800 -0.002 0.000 2.592 32 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.684 32 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.684 32 G C -2.197 172.696 174.900 -0.011 0.000 1.291 32 G CA -0.345 44.752 45.100 -0.005 0.000 0.891 32 G HN 0.507 nan 8.290 nan 0.000 0.544 33 P HA 0.175 nan 4.420 nan 0.000 0.227 33 P C 0.793 178.083 177.300 -0.016 0.000 1.161 33 P CA 0.922 64.008 63.100 -0.023 0.000 0.788 33 P CB 0.239 31.916 31.700 -0.039 0.000 0.822 34 K N 0.611 121.005 120.400 -0.010 0.000 3.095 34 K HA 0.343 4.663 4.320 -0.000 0.000 0.220 34 K C 0.772 177.372 176.600 -0.000 0.000 1.216 34 K CA -0.166 56.119 56.287 -0.004 0.000 1.167 34 K CB 0.491 32.992 32.500 0.002 0.000 1.199 34 K HN 0.038 nan 8.250 nan 0.000 0.458 35 G N 0.870 109.668 108.800 -0.003 0.000 2.634 35 G HA2 0.204 4.164 3.960 -0.000 0.000 0.255 35 G HA3 0.204 4.164 3.960 -0.000 0.000 0.255 35 G C 0.040 174.940 174.900 -0.002 0.000 1.205 35 G CA -0.463 44.636 45.100 -0.001 0.000 0.884 35 G HN 0.142 nan 8.290 nan 0.000 0.549 36 R N -0.250 120.249 120.500 -0.001 0.000 2.720 36 R HA 0.237 4.577 4.340 -0.000 0.000 0.272 36 R C -0.231 176.068 176.300 -0.002 0.000 0.991 36 R CA -0.797 55.302 56.100 -0.001 0.000 1.010 36 R CB 1.111 31.411 30.300 -0.000 0.000 1.141 36 R HN 0.639 nan 8.270 nan 0.000 0.494 37 N N -0.517 118.181 118.700 -0.002 0.000 2.530 37 N HA 0.210 4.950 4.740 -0.000 0.000 0.273 37 N C -0.869 174.639 175.510 -0.003 0.000 1.173 37 N CA -0.160 52.888 53.050 -0.003 0.000 0.967 37 N CB 1.064 39.550 38.487 -0.002 0.000 1.109 37 N HN 0.082 nan 8.380 nan 0.000 0.453 38 V N 2.468 122.380 119.914 -0.003 0.000 2.487 38 V HA 0.279 4.399 4.120 -0.000 0.000 0.298 38 V C -0.424 175.668 176.094 -0.004 0.000 1.028 38 V CA -0.772 61.526 62.300 -0.004 0.000 0.860 38 V CB 1.821 33.641 31.823 -0.004 0.000 0.991 38 V HN 0.326 nan 8.190 nan 0.000 0.427 39 V N 6.878 126.790 119.914 -0.004 0.000 2.348 39 V HA 0.414 4.534 4.120 -0.000 0.000 0.270 39 V C -0.127 175.964 176.094 -0.004 0.000 1.037 39 V CA -0.343 61.955 62.300 -0.003 0.000 0.872 39 V CB 1.153 32.974 31.823 -0.003 0.000 1.002 39 V HN 0.612 nan 8.190 nan 0.000 0.464 40 L N 4.064 125.285 121.223 -0.004 0.000 2.265 40 L HA 0.476 4.816 4.340 -0.000 0.000 0.289 40 L C 0.011 176.879 176.870 -0.004 0.000 1.033 40 L CA -0.520 54.317 54.840 -0.005 0.000 0.814 40 L CB 1.294 43.350 42.059 -0.004 0.000 1.203 40 L HN 0.503 nan 8.230 nan 0.000 0.423 41 D N 3.595 123.990 120.400 -0.009 0.000 2.390 41 D HA 0.125 4.765 4.640 -0.000 0.000 0.249 41 D C -0.410 175.883 176.300 -0.011 0.000 1.144 41 D CA 0.154 54.147 54.000 -0.012 0.000 0.880 41 D CB 0.796 41.582 40.800 -0.023 0.000 1.182 41 D HN 0.312 nan 8.370 nan 0.000 0.451 42 K N 1.548 121.947 120.400 -0.001 0.000 2.156 42 K HA 0.215 4.535 4.320 -0.000 0.000 0.271 42 K C 1.213 177.794 176.600 -0.032 0.000 0.995 42 K CA -0.518 55.775 56.287 0.010 0.000 0.890 42 K CB 1.365 33.897 32.500 0.054 0.000 1.073 42 K HN 0.402 nan 8.250 nan 0.000 0.454 43 S N 1.635 117.274 115.700 -0.101 0.000 2.442 43 S HA -0.059 4.411 4.470 -0.000 0.000 0.236 43 S C 0.303 174.663 174.600 -0.401 0.000 1.007 43 S CA 0.692 58.719 58.200 -0.288 0.000 0.965 43 S CB -0.292 62.651 63.200 -0.428 0.000 0.773 43 S HN 0.377 nan 8.310 nan 0.000 0.504 44 F N 1.917 121.865 119.950 -0.004 0.000 2.458 44 F HA 0.657 5.184 4.527 -0.000 0.000 0.336 44 F C 1.278 177.076 175.800 -0.004 0.000 1.114 44 F CA -0.092 57.905 58.000 -0.004 0.000 0.987 44 F CB 1.221 40.218 39.000 -0.004 0.000 1.130 44 F HN 0.352 nan 8.300 nan 0.000 0.458 45 G N 1.416 110.321 108.800 0.174 0.000 2.569 45 G HA2 0.038 3.998 3.960 -0.000 0.000 0.259 45 G HA3 0.038 3.998 3.960 -0.000 0.000 0.259 45 G C -0.310 174.625 174.900 0.058 0.000 1.263 45 G CA -0.499 44.660 45.100 0.099 0.000 0.928 45 G HN 1.157 nan 8.290 nan 0.000 0.572 46 A N 1.303 124.149 122.820 0.043 0.000 2.351 46 A HA 0.732 5.052 4.320 -0.000 0.000 0.257 46 A C -1.420 176.180 177.584 0.026 0.000 1.087 46 A CA -0.014 52.040 52.037 0.027 0.000 0.798 46 A CB 0.136 19.148 19.000 0.020 0.000 1.033 46 A HN 0.761 nan 8.150 nan 0.000 0.488 47 P HA 0.371 nan 4.420 nan 0.000 0.276 47 P C -0.420 176.886 177.300 0.010 0.000 1.244 47 P CA -0.237 62.869 63.100 0.011 0.000 0.801 47 P CB 0.604 32.305 31.700 0.003 0.000 1.006 48 T N 1.583 116.142 114.554 0.008 0.000 2.889 48 T HA 0.473 4.823 4.350 -0.000 0.000 0.291 48 T C 0.380 175.081 174.700 0.002 0.000 0.995 48 T CA -0.160 61.944 62.100 0.006 0.000 1.092 48 T CB -0.024 68.847 68.868 0.006 0.000 0.954 48 T HN 0.174 nan 8.240 nan 0.000 0.506 49 I N 2.264 122.835 120.570 0.002 0.000 2.362 49 I HA 0.475 4.645 4.170 -0.000 0.000 0.289 49 I C 0.437 176.553 176.117 -0.002 0.000 0.994 49 I CA -0.482 60.818 61.300 -0.000 0.000 1.158 49 I CB 1.688 39.688 38.000 -0.000 0.000 1.315 49 I HN 0.498 nan 8.210 nan 0.000 0.451 50 T N 4.400 118.953 114.554 -0.003 0.000 2.900 50 T HA 0.437 4.787 4.350 -0.000 0.000 0.295 50 T C 0.083 174.780 174.700 -0.005 0.000 1.044 50 T CA -0.623 61.475 62.100 -0.004 0.000 0.995 50 T CB 1.417 70.282 68.868 -0.005 0.000 1.072 50 T HN 0.666 nan 8.240 nan 0.000 0.473 51 K N 1.982 122.378 120.400 -0.006 0.000 2.478 51 K HA 0.204 4.524 4.320 -0.000 0.000 0.205 51 K C -0.679 175.916 176.600 -0.007 0.000 1.033 51 K CA -0.309 55.974 56.287 -0.006 0.000 1.091 51 K CB 0.523 33.019 32.500 -0.006 0.000 0.844 51 K HN 0.442 nan 8.250 nan 0.000 0.507 52 D N 0.025 120.420 120.400 -0.009 0.000 2.359 52 D HA 0.127 4.767 4.640 -0.000 0.000 0.230 52 D C 1.220 177.513 176.300 -0.012 0.000 1.118 52 D CA -0.262 53.731 54.000 -0.011 0.000 0.844 52 D CB 1.372 42.164 40.800 -0.013 0.000 1.059 52 D HN 0.171 nan 8.370 nan 0.000 0.493 53 G N 2.464 111.257 108.800 -0.012 0.000 2.485 53 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.221 53 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.221 53 G C 1.312 176.202 174.900 -0.016 0.000 1.115 53 G CA 0.971 46.064 45.100 -0.012 0.000 0.751 53 G HN 0.477 nan 8.290 nan 0.000 0.567 54 V N 0.529 120.431 119.914 -0.020 0.000 2.446 54 V HA -0.097 4.023 4.120 -0.000 0.000 0.244 54 V C 2.977 179.057 176.094 -0.023 0.000 1.039 54 V CA 1.893 64.178 62.300 -0.025 0.000 1.045 54 V CB -0.465 31.339 31.823 -0.031 0.000 0.681 54 V HN 0.332 nan 8.190 nan 0.000 0.459 55 S N 0.486 116.174 115.700 -0.020 0.000 2.359 55 S HA -0.176 4.294 4.470 -0.000 0.000 0.224 55 S C 2.071 176.662 174.600 -0.016 0.000 1.035 55 S CA 1.630 59.820 58.200 -0.017 0.000 1.018 55 S CB -0.294 62.898 63.200 -0.014 0.000 0.876 55 S HN 0.372 nan 8.310 nan 0.000 0.448 56 V N 2.017 121.923 119.914 -0.014 0.000 2.295 56 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 56 V C 2.581 178.667 176.094 -0.014 0.000 1.049 56 V CA 1.709 64.002 62.300 -0.012 0.000 1.024 56 V CB -1.184 30.633 31.823 -0.010 0.000 0.648 56 V HN 0.556 nan 8.190 nan 0.000 0.447 57 A N -0.622 122.188 122.820 -0.016 0.000 2.121 57 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 57 A C 2.388 179.959 177.584 -0.021 0.000 1.154 57 A CA 1.501 53.527 52.037 -0.018 0.000 0.679 57 A CB -0.544 18.443 19.000 -0.020 0.000 0.795 57 A HN 0.474 nan 8.150 nan 0.000 0.458 58 R N -0.250 120.237 120.500 -0.022 0.000 2.062 58 R HA -0.051 4.289 4.340 -0.000 0.000 0.226 58 R C 1.108 177.395 176.300 -0.021 0.000 1.125 58 R CA 1.196 57.282 56.100 -0.024 0.000 0.966 58 R CB -0.073 30.212 30.300 -0.025 0.000 0.861 58 R HN 0.420 nan 8.270 nan 0.000 0.433 59 E N 0.569 120.759 120.200 -0.017 0.000 2.502 59 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 59 E C 0.015 176.606 176.600 -0.015 0.000 1.062 59 E CA 0.155 56.546 56.400 -0.015 0.000 0.867 59 E CB 0.259 29.952 29.700 -0.013 0.000 0.888 59 E HN 0.260 nan 8.360 nan 0.000 0.510 60 I N 2.181 122.742 120.570 -0.015 0.000 2.406 60 I HA 0.111 4.281 4.170 -0.000 0.000 0.293 60 I C 0.342 176.450 176.117 -0.014 0.000 1.101 60 I CA 0.336 61.628 61.300 -0.013 0.000 1.334 60 I CB -0.078 37.915 38.000 -0.012 0.000 1.421 60 I HN -0.037 nan 8.210 nan 0.000 0.513 61 E N 6.977 127.169 120.200 -0.014 0.000 2.304 61 E HA 0.507 4.857 4.350 -0.000 0.000 0.277 61 E C -1.678 174.914 176.600 -0.013 0.000 0.898 61 E CA -0.621 55.770 56.400 -0.015 0.000 0.764 61 E CB 2.098 31.788 29.700 -0.017 0.000 1.216 61 E HN 0.432 nan 8.360 nan 0.000 0.419 62 L N 3.297 124.513 121.223 -0.012 0.000 2.352 62 L HA 0.367 4.707 4.340 -0.000 0.000 0.269 62 L C 1.463 178.327 176.870 -0.010 0.000 1.034 62 L CA -0.317 54.519 54.840 -0.007 0.000 0.806 62 L CB 1.465 43.524 42.059 0.001 0.000 1.244 62 L HN 0.757 nan 8.230 nan 0.000 0.447 63 E N 0.270 120.467 120.200 -0.004 0.000 2.051 63 E HA -0.135 4.215 4.350 -0.000 0.000 0.189 63 E C 0.344 176.943 176.600 -0.000 0.000 0.979 63 E CA 0.268 56.665 56.400 -0.005 0.000 0.803 63 E CB 0.282 29.981 29.700 -0.001 0.000 0.761 63 E HN 0.599 nan 8.360 nan 0.000 0.451 64 D N 0.914 121.324 120.400 0.017 0.000 2.434 64 D HA -0.075 4.565 4.640 -0.000 0.000 0.252 64 D C 0.788 177.100 176.300 0.019 0.000 1.185 64 D CA 0.070 54.095 54.000 0.042 0.000 0.886 64 D CB 0.917 41.760 40.800 0.073 0.000 1.148 64 D HN -0.019 nan 8.370 nan 0.000 0.483 65 K N 3.604 123.990 120.400 -0.025 0.000 2.063 65 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 65 K C 1.927 178.391 176.600 -0.227 0.000 1.048 65 K CA 1.181 57.363 56.287 -0.176 0.000 0.928 65 K CB -0.375 31.929 32.500 -0.326 0.000 0.713 65 K HN 0.506 nan 8.250 nan 0.000 0.442 66 F N 1.605 121.541 119.950 -0.023 0.000 2.128 66 F HA -0.074 4.453 4.527 -0.000 0.000 0.295 66 F C 2.395 178.182 175.800 -0.022 0.000 1.100 66 F CA 1.082 59.066 58.000 -0.028 0.000 1.260 66 F CB -0.430 38.552 39.000 -0.031 0.000 1.009 66 F HN 0.112 nan 8.300 nan 0.000 0.476 67 E N 0.073 120.375 120.200 0.170 0.000 2.085 67 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 67 E C 1.856 178.481 176.600 0.042 0.000 0.994 67 E CA 1.376 57.828 56.400 0.086 0.000 0.801 67 E CB -0.379 29.360 29.700 0.064 0.000 0.743 67 E HN 0.286 nan 8.360 nan 0.000 0.453 68 N N 0.753 119.463 118.700 0.018 0.000 2.036 68 N HA -0.192 4.548 4.740 -0.000 0.000 0.195 68 N C 1.756 177.257 175.510 -0.015 0.000 1.037 68 N CA 1.546 54.590 53.050 -0.010 0.000 0.855 68 N CB -0.074 38.392 38.487 -0.035 0.000 1.033 68 N HN 0.083 nan 8.380 nan 0.000 0.423 69 M N -0.529 119.056 119.600 -0.025 0.000 2.082 69 M HA -0.123 4.357 4.480 -0.000 0.000 0.258 69 M C 2.213 178.515 176.300 0.004 0.000 1.069 69 M CA 1.868 57.154 55.300 -0.024 0.000 1.102 69 M CB -0.888 31.688 32.600 -0.041 0.000 1.336 69 M HN 0.350 nan 8.290 nan 0.000 0.404 70 G N -0.037 108.779 108.800 0.027 0.000 2.574 70 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 70 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 70 G C 1.533 176.440 174.900 0.012 0.000 1.173 70 G CA 1.381 46.496 45.100 0.026 0.000 0.772 70 G HN 0.589 nan 8.290 nan 0.000 0.585 71 A N -0.858 121.967 122.820 0.007 0.000 2.016 71 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 71 A C 2.323 179.902 177.584 -0.008 0.000 1.162 71 A CA 1.488 53.525 52.037 0.000 0.000 0.662 71 A CB -0.116 18.884 19.000 0.000 0.000 0.812 71 A HN 0.344 nan 8.150 nan 0.000 0.450 72 Q N -0.838 118.955 119.800 -0.012 0.000 2.389 72 Q HA 0.096 4.436 4.340 -0.000 0.000 0.204 72 Q C 1.887 177.876 176.000 -0.019 0.000 0.944 72 Q CA 0.600 56.392 55.803 -0.019 0.000 0.908 72 Q CB -0.204 28.520 28.738 -0.024 0.000 1.002 72 Q HN 0.743 nan 8.270 nan 0.000 0.493 73 M N 0.165 119.758 119.600 -0.012 0.000 2.064 73 M HA -0.141 4.339 4.480 -0.000 0.000 0.260 73 M C 2.311 178.604 176.300 -0.012 0.000 1.073 73 M CA 1.594 56.889 55.300 -0.009 0.000 1.124 73 M CB -0.427 32.173 32.600 0.000 0.000 1.326 73 M HN 0.138 nan 8.290 nan 0.000 0.410 74 V N -1.219 118.691 119.914 -0.006 0.000 2.490 74 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 74 V C 2.099 178.180 176.094 -0.022 0.000 1.061 74 V CA 1.957 64.252 62.300 -0.007 0.000 1.064 74 V CB -1.076 30.748 31.823 0.002 0.000 0.670 74 V HN 0.482 nan 8.190 nan 0.000 0.461 75 K N 0.553 120.939 120.400 -0.024 0.000 2.057 75 K HA -0.246 4.074 4.320 -0.000 0.000 0.207 75 K C 2.365 178.936 176.600 -0.048 0.000 1.049 75 K CA 1.977 58.245 56.287 -0.031 0.000 0.931 75 K CB -0.231 32.253 32.500 -0.026 0.000 0.714 75 K HN 0.731 nan 8.250 nan 0.000 0.440 76 E N 0.328 120.498 120.200 -0.050 0.000 2.216 76 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 76 E C 1.531 178.067 176.600 -0.108 0.000 0.988 76 E CA 0.596 56.956 56.400 -0.067 0.000 0.834 76 E CB 0.361 30.031 29.700 -0.050 0.000 0.772 76 E HN 0.154 nan 8.360 nan 0.000 0.479 77 V N 0.834 120.686 119.914 -0.103 0.000 3.306 77 V HA 0.011 4.131 4.120 -0.000 0.000 0.264 77 V C 2.116 178.078 176.094 -0.221 0.000 1.149 77 V CA 1.180 63.380 62.300 -0.166 0.000 1.143 77 V CB 0.211 31.999 31.823 -0.060 0.000 0.767 77 V HN 0.323 nan 8.190 nan 0.000 0.476 78 A N 0.574 123.316 122.820 -0.130 0.000 2.081 78 A HA -0.030 4.290 4.320 -0.000 0.000 0.214 78 A C 2.380 179.894 177.584 -0.118 0.000 1.158 78 A CA 1.208 53.187 52.037 -0.097 0.000 0.724 78 A CB -0.266 18.707 19.000 -0.046 0.000 0.826 78 A HN 0.605 nan 8.150 nan 0.000 0.463 79 S N 0.155 115.777 115.700 -0.132 0.000 2.489 79 S HA -0.040 4.430 4.470 -0.000 0.000 0.228 79 S C 1.529 176.027 174.600 -0.169 0.000 0.995 79 S CA 1.014 59.141 58.200 -0.121 0.000 0.934 79 S CB -0.241 62.904 63.200 -0.091 0.000 0.771 79 S HN 0.574 nan 8.310 nan 0.000 0.522 80 K N 1.310 121.532 120.400 -0.297 0.000 2.366 80 K HA 0.282 4.602 4.320 -0.000 0.000 0.198 80 K C 2.104 178.499 176.600 -0.341 0.000 1.044 80 K CA 0.776 56.826 56.287 -0.394 0.000 0.973 80 K CB -0.219 31.857 32.500 -0.707 0.000 0.767 80 K HN 0.489 nan 8.250 nan 0.000 0.475 81 A N 0.990 123.648 122.820 -0.270 0.000 2.072 81 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 81 A C 1.697 179.292 177.584 0.018 0.000 1.156 81 A CA 0.985 53.036 52.037 0.024 0.000 0.701 81 A CB -0.307 18.760 19.000 0.112 0.000 0.816 81 A HN 0.285 nan 8.150 nan 0.000 0.458 82 N N -0.774 117.899 118.700 -0.045 0.000 2.424 82 N HA -0.058 4.682 4.740 -0.000 0.000 0.178 82 N C 0.855 176.322 175.510 -0.072 0.000 1.060 82 N CA 0.615 53.634 53.050 -0.052 0.000 0.901 82 N CB 0.125 38.573 38.487 -0.066 0.000 0.979 82 N HN 0.265 nan 8.380 nan 0.000 0.451 83 D N 0.054 120.418 120.400 -0.060 0.000 2.110 83 D HA 0.011 4.651 4.640 -0.000 0.000 0.202 83 D C 1.693 178.006 176.300 0.022 0.000 0.975 83 D CA 0.988 54.961 54.000 -0.044 0.000 0.839 83 D CB -0.285 40.484 40.800 -0.051 0.000 0.996 83 D HN 0.311 nan 8.370 nan 0.000 0.464 84 A N -0.093 122.762 122.820 0.059 0.000 2.067 84 A HA 0.300 4.620 4.320 -0.000 0.000 0.217 84 A C 1.912 179.568 177.584 0.119 0.000 1.156 84 A CA 1.720 53.820 52.037 0.106 0.000 0.683 84 A CB 0.030 19.120 19.000 0.151 0.000 0.808 84 A HN 0.230 nan 8.150 nan 0.000 0.455 85 A N -3.291 119.590 122.820 0.101 0.000 2.009 85 A HA 0.488 4.808 4.320 -0.000 0.000 0.197 85 A C 1.760 179.410 177.584 0.109 0.000 1.471 85 A CA 1.093 53.194 52.037 0.107 0.000 0.973 85 A CB -0.052 18.997 19.000 0.082 0.000 1.020 85 A HN 1.698 nan 8.150 nan 0.000 0.476 86 G N -1.054 107.743 108.800 -0.004 0.000 2.307 86 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.210 86 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.210 86 G C -0.238 174.617 174.900 -0.075 0.000 1.005 86 G CA 0.432 45.456 45.100 -0.125 0.000 0.634 86 G HN 0.820 nan 8.290 nan 0.000 0.496 87 D N -1.074 119.314 120.400 -0.019 0.000 2.857 87 D HA 0.617 5.257 4.640 -0.000 0.000 0.227 87 D C 0.627 176.930 176.300 0.004 0.000 1.192 87 D CA 0.689 54.682 54.000 -0.012 0.000 0.857 87 D CB 1.106 41.906 40.800 -0.001 0.000 1.645 87 D HN 1.187 nan 8.370 nan 0.000 0.482 88 G N 1.303 110.103 108.800 0.001 0.000 3.288 88 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 88 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 88 G C 0.953 175.859 174.900 0.010 0.000 0.944 88 G CA 0.423 45.532 45.100 0.015 0.000 0.854 88 G HN 0.496 nan 8.290 nan 0.000 0.632 89 T N 1.336 115.886 114.554 -0.007 0.000 2.770 89 T HA -0.042 4.308 4.350 -0.000 0.000 0.263 89 T C 2.647 177.343 174.700 -0.007 0.000 1.039 89 T CA 2.220 64.312 62.100 -0.014 0.000 1.142 89 T CB -0.453 68.398 68.868 -0.028 0.000 0.868 89 T HN 0.329 nan 8.240 nan 0.000 0.435 90 T N 2.323 116.873 114.554 -0.006 0.000 2.653 90 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 90 T C 2.214 176.917 174.700 0.004 0.000 1.035 90 T CA 2.032 64.130 62.100 -0.003 0.000 1.154 90 T CB -0.979 67.888 68.868 -0.003 0.000 0.862 90 T HN 0.445 nan 8.240 nan 0.000 0.441 91 T N 2.061 116.620 114.554 0.009 0.000 2.701 91 T HA 0.067 4.417 4.350 -0.000 0.000 0.263 91 T C 2.508 177.222 174.700 0.023 0.000 1.040 91 T CA 1.086 63.195 62.100 0.016 0.000 1.147 91 T CB -0.768 68.112 68.868 0.020 0.000 0.865 91 T HN 0.456 nan 8.240 nan 0.000 0.426 92 A N 1.848 124.685 122.820 0.029 0.000 1.917 92 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 92 A C 2.555 180.157 177.584 0.031 0.000 1.182 92 A CA 2.347 54.409 52.037 0.042 0.000 0.633 92 A CB -1.499 17.531 19.000 0.049 0.000 0.819 92 A HN 0.535 nan 8.150 nan 0.000 0.448 93 T N 0.247 114.811 114.554 0.017 0.000 2.622 93 T HA -0.187 4.163 4.350 -0.000 0.000 0.266 93 T C 2.008 176.716 174.700 0.014 0.000 1.047 93 T CA 2.418 64.525 62.100 0.012 0.000 1.159 93 T CB -1.282 67.588 68.868 0.003 0.000 0.863 93 T HN 0.807 nan 8.240 nan 0.000 0.422 94 V N 1.131 121.053 119.914 0.013 0.000 2.324 94 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 94 V C 2.358 178.462 176.094 0.016 0.000 1.060 94 V CA 1.573 63.881 62.300 0.013 0.000 1.042 94 V CB -1.413 30.418 31.823 0.012 0.000 0.650 94 V HN 0.444 nan 8.190 nan 0.000 0.450 95 L N 0.704 121.939 121.223 0.020 0.000 1.971 95 L HA -0.181 4.159 4.340 -0.000 0.000 0.215 95 L C 3.092 179.975 176.870 0.023 0.000 1.072 95 L CA 2.302 57.156 54.840 0.023 0.000 0.758 95 L CB -1.040 41.037 42.059 0.031 0.000 0.889 95 L HN 0.463 nan 8.230 nan 0.000 0.433 96 A N -1.101 121.735 122.820 0.026 0.000 1.972 96 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 96 A C 2.230 179.825 177.584 0.020 0.000 1.169 96 A CA 1.764 53.816 52.037 0.026 0.000 0.635 96 A CB -0.580 18.437 19.000 0.029 0.000 0.810 96 A HN 0.535 nan 8.150 nan 0.000 0.446 97 Q N -0.548 119.262 119.800 0.016 0.000 2.030 97 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 97 Q C 2.281 178.288 176.000 0.013 0.000 0.986 97 Q CA 1.775 57.586 55.803 0.013 0.000 0.843 97 Q CB -0.352 28.393 28.738 0.011 0.000 0.904 97 Q HN 0.628 nan 8.270 nan 0.000 0.420 98 A N 0.465 123.293 122.820 0.013 0.000 1.940 98 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 98 A C 1.925 179.517 177.584 0.013 0.000 1.176 98 A CA 1.404 53.448 52.037 0.012 0.000 0.631 98 A CB -0.577 18.431 19.000 0.013 0.000 0.814 98 A HN 0.470 nan 8.150 nan 0.000 0.446 99 I N -0.766 119.813 120.570 0.015 0.000 2.235 99 I HA -0.170 4.000 4.170 -0.000 0.000 0.241 99 I C 2.286 178.411 176.117 0.014 0.000 1.085 99 I CA 1.074 62.383 61.300 0.015 0.000 1.378 99 I CB -0.399 37.612 38.000 0.018 0.000 1.076 99 I HN 0.245 nan 8.210 nan 0.000 0.415 100 I N 0.766 121.345 120.570 0.015 0.000 2.163 100 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 100 I C 2.599 178.723 176.117 0.012 0.000 1.085 100 I CA 1.790 63.099 61.300 0.015 0.000 1.347 100 I CB -0.761 37.248 38.000 0.015 0.000 1.044 100 I HN 0.282 nan 8.210 nan 0.000 0.408 101 T N 0.198 114.759 114.554 0.011 0.000 2.595 101 T HA -0.192 4.158 4.350 -0.000 0.000 0.264 101 T C 1.797 176.502 174.700 0.008 0.000 1.058 101 T CA 1.392 63.497 62.100 0.009 0.000 1.166 101 T CB -0.335 68.538 68.868 0.008 0.000 0.863 101 T HN 0.281 nan 8.240 nan 0.000 0.415 102 E N 0.834 121.039 120.200 0.009 0.000 2.209 102 E HA -0.054 4.296 4.350 -0.000 0.000 0.196 102 E C 2.398 179.003 176.600 0.008 0.000 0.993 102 E CA 1.022 57.426 56.400 0.008 0.000 0.819 102 E CB -0.802 28.903 29.700 0.008 0.000 0.745 102 E HN 0.617 nan 8.360 nan 0.000 0.477 103 G N 1.158 109.964 108.800 0.010 0.000 2.424 103 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.214 103 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.214 103 G C 1.739 176.645 174.900 0.010 0.000 1.202 103 G CA 0.426 45.532 45.100 0.010 0.000 0.793 103 G HN 0.171 nan 8.290 nan 0.000 0.534 104 L N 0.225 121.454 121.223 0.010 0.000 1.990 104 L HA -0.160 4.180 4.340 -0.000 0.000 0.213 104 L C 2.942 179.817 176.870 0.007 0.000 1.072 104 L CA 1.663 56.509 54.840 0.009 0.000 0.755 104 L CB -0.513 41.551 42.059 0.008 0.000 0.889 104 L HN 0.198 nan 8.230 nan 0.000 0.432 105 K N -0.106 120.297 120.400 0.007 0.000 2.107 105 K HA -0.274 4.046 4.320 -0.000 0.000 0.211 105 K C 2.117 178.721 176.600 0.006 0.000 1.049 105 K CA 1.816 58.106 56.287 0.005 0.000 0.927 105 K CB -0.284 32.219 32.500 0.005 0.000 0.714 105 K HN 0.388 nan 8.250 nan 0.000 0.452 106 A N 0.441 123.265 122.820 0.006 0.000 1.929 106 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 106 A C 2.273 179.861 177.584 0.007 0.000 1.176 106 A CA 1.127 53.168 52.037 0.006 0.000 0.628 106 A CB -0.264 18.740 19.000 0.007 0.000 0.816 106 A HN 0.087 nan 8.150 nan 0.000 0.444 107 V N -0.114 119.805 119.914 0.008 0.000 2.453 107 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 107 V C 2.993 179.092 176.094 0.008 0.000 1.048 107 V CA 1.668 63.973 62.300 0.009 0.000 1.049 107 V CB -1.176 30.654 31.823 0.012 0.000 0.672 107 V HN 0.570 nan 8.190 nan 0.000 0.457 108 A N 0.254 123.078 122.820 0.007 0.000 1.972 108 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 108 A C 2.373 179.959 177.584 0.004 0.000 1.169 108 A CA 1.877 53.917 52.037 0.006 0.000 0.635 108 A CB -0.640 18.363 19.000 0.004 0.000 0.810 108 A HN 0.566 nan 8.150 nan 0.000 0.446 109 A N -2.046 120.776 122.820 0.004 0.000 2.067 109 A HA 0.338 4.658 4.320 -0.000 0.000 0.219 109 A C 1.908 179.494 177.584 0.004 0.000 1.158 109 A CA 1.772 53.811 52.037 0.004 0.000 0.661 109 A CB -0.634 18.368 19.000 0.004 0.000 0.801 109 A HN 1.802 nan 8.150 nan 0.000 0.452 110 G N -2.890 105.913 108.800 0.005 0.000 2.227 110 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.168 110 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.168 110 G C 0.209 175.112 174.900 0.005 0.000 1.006 110 G CA 0.017 45.120 45.100 0.005 0.000 0.684 110 G HN 0.287 nan 8.290 nan 0.000 0.489 111 M N 1.375 120.979 119.600 0.006 0.000 2.248 111 M HA 0.152 4.632 4.480 -0.000 0.000 0.337 111 M C 0.800 177.104 176.300 0.008 0.000 1.121 111 M CA -0.039 55.264 55.300 0.006 0.000 1.155 111 M CB 0.331 32.935 32.600 0.006 0.000 1.514 111 M HN 0.260 nan 8.290 nan 0.000 0.452 112 N N 3.283 121.987 118.700 0.007 0.000 2.452 112 N HA 0.057 4.797 4.740 -0.000 0.000 0.266 112 N C -2.168 173.348 175.510 0.010 0.000 1.209 112 N CA -1.115 51.940 53.050 0.009 0.000 0.929 112 N CB 1.152 39.644 38.487 0.008 0.000 1.063 112 N HN 0.299 nan 8.380 nan 0.000 0.472 113 P HA -0.095 nan 4.420 nan 0.000 0.215 113 P C 1.730 179.037 177.300 0.012 0.000 1.157 113 P CA 1.192 64.299 63.100 0.013 0.000 0.863 113 P CB 0.194 31.904 31.700 0.016 0.000 0.787 114 M N -0.641 118.966 119.600 0.012 0.000 2.202 114 M HA -0.155 4.325 4.480 -0.000 0.000 0.262 114 M C 1.349 177.654 176.300 0.009 0.000 1.063 114 M CA 1.666 56.972 55.300 0.011 0.000 1.097 114 M CB -1.500 31.106 32.600 0.011 0.000 1.382 114 M HN 0.022 nan 8.290 nan 0.000 0.413 115 D N 0.264 120.668 120.400 0.008 0.000 2.103 115 D HA -0.019 4.621 4.640 -0.000 0.000 0.199 115 D C 2.287 178.591 176.300 0.007 0.000 0.978 115 D CA 0.895 54.899 54.000 0.007 0.000 0.829 115 D CB -0.172 40.631 40.800 0.006 0.000 0.981 115 D HN 0.310 nan 8.370 nan 0.000 0.464 116 L N 1.075 122.302 121.223 0.008 0.000 2.043 116 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 116 L C 2.556 179.431 176.870 0.008 0.000 1.075 116 L CA 1.320 56.165 54.840 0.008 0.000 0.752 116 L CB -0.343 41.722 42.059 0.009 0.000 0.891 116 L HN -0.002 nan 8.230 nan 0.000 0.432 117 K N 0.353 120.758 120.400 0.009 0.000 2.026 117 K HA -0.237 4.083 4.320 -0.000 0.000 0.208 117 K C 2.343 178.947 176.600 0.007 0.000 1.048 117 K CA 1.518 57.811 56.287 0.009 0.000 0.929 117 K CB -0.096 32.411 32.500 0.011 0.000 0.713 117 K HN 0.078 nan 8.250 nan 0.000 0.439 118 R N -0.285 120.218 120.500 0.006 0.000 2.193 118 R HA -0.079 4.261 4.340 -0.000 0.000 0.229 118 R C 2.178 178.480 176.300 0.003 0.000 1.110 118 R CA 1.367 57.470 56.100 0.004 0.000 0.988 118 R CB -0.321 29.981 30.300 0.004 0.000 0.871 118 R HN 0.440 nan 8.270 nan 0.000 0.458 119 G N 0.338 109.140 108.800 0.004 0.000 2.403 119 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 119 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 119 G C 1.349 176.251 174.900 0.004 0.000 1.154 119 G CA 0.467 45.569 45.100 0.004 0.000 0.784 119 G HN 0.237 nan 8.290 nan 0.000 0.538 120 I N 0.953 121.526 120.570 0.005 0.000 2.353 120 I HA -0.060 4.110 4.170 -0.000 0.000 0.248 120 I C 2.095 178.213 176.117 0.002 0.000 1.119 120 I CA 0.861 62.164 61.300 0.005 0.000 1.417 120 I CB -0.135 37.869 38.000 0.008 0.000 1.078 120 I HN 0.019 nan 8.210 nan 0.000 0.421 121 D N 1.251 121.652 120.400 0.000 0.000 2.097 121 D HA -0.203 4.437 4.640 -0.000 0.000 0.197 121 D C 2.058 178.355 176.300 -0.006 0.000 0.984 121 D CA 1.215 55.213 54.000 -0.004 0.000 0.826 121 D CB -0.237 40.561 40.800 -0.004 0.000 0.973 121 D HN 0.258 nan 8.370 nan 0.000 0.460 122 K N 0.648 121.046 120.400 -0.003 0.000 2.147 122 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 122 K C 1.910 178.509 176.600 -0.002 0.000 1.049 122 K CA 1.048 57.334 56.287 -0.003 0.000 0.936 122 K CB 0.062 32.562 32.500 -0.001 0.000 0.722 122 K HN 0.014 nan 8.250 nan 0.000 0.446 123 A N 0.126 122.946 122.820 -0.001 0.000 2.016 123 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 123 A C 2.045 179.629 177.584 -0.001 0.000 1.162 123 A CA 0.902 52.940 52.037 0.001 0.000 0.662 123 A CB -0.065 18.937 19.000 0.003 0.000 0.812 123 A HN 0.138 nan 8.150 nan 0.000 0.450 124 V N -0.526 119.386 119.914 -0.004 0.000 2.331 124 V HA -0.157 3.963 4.120 -0.000 0.000 0.242 124 V C 2.659 178.745 176.094 -0.014 0.000 1.034 124 V CA 2.203 64.497 62.300 -0.009 0.000 1.027 124 V CB -1.247 30.568 31.823 -0.014 0.000 0.667 124 V HN 0.565 nan 8.190 nan 0.000 0.457 125 T N 1.319 115.864 114.554 -0.015 0.000 2.624 125 T HA -0.341 4.009 4.350 -0.000 0.000 0.266 125 T C 1.972 176.666 174.700 -0.011 0.000 1.050 125 T CA 2.233 64.323 62.100 -0.016 0.000 1.163 125 T CB -0.602 68.259 68.868 -0.013 0.000 0.861 125 T HN 0.572 nan 8.240 nan 0.000 0.443 126 A N 1.044 123.860 122.820 -0.006 0.000 2.015 126 A HA 0.323 4.643 4.320 -0.000 0.000 0.219 126 A C 2.618 180.202 177.584 -0.001 0.000 1.163 126 A CA 1.623 53.659 52.037 -0.003 0.000 0.646 126 A CB -0.927 18.073 19.000 -0.000 0.000 0.806 126 A HN 0.548 nan 8.150 nan 0.000 0.448 127 A N -0.352 122.467 122.820 -0.001 0.000 1.873 127 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 127 A C 2.196 179.780 177.584 -0.000 0.000 1.186 127 A CA 1.667 53.704 52.037 0.001 0.000 0.616 127 A CB -0.981 18.020 19.000 0.001 0.000 0.823 127 A HN 0.359 nan 8.150 nan 0.000 0.442 128 V N 0.127 120.037 119.914 -0.007 0.000 2.282 128 V HA -0.289 3.831 4.120 -0.000 0.000 0.249 128 V C 2.599 178.690 176.094 -0.005 0.000 1.057 128 V CA 2.510 64.805 62.300 -0.010 0.000 1.032 128 V CB -0.931 30.880 31.823 -0.020 0.000 0.645 128 V HN 0.536 nan 8.190 nan 0.000 0.447 129 E N 0.072 120.269 120.200 -0.004 0.000 2.049 129 E HA -0.246 4.104 4.350 -0.000 0.000 0.198 129 E C 2.189 178.791 176.600 0.003 0.000 1.007 129 E CA 1.590 57.989 56.400 -0.001 0.000 0.809 129 E CB -0.427 29.272 29.700 -0.001 0.000 0.749 129 E HN 0.606 nan 8.360 nan 0.000 0.450 130 E N -0.397 119.806 120.200 0.005 0.000 2.209 130 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 130 E C 1.666 178.272 176.600 0.011 0.000 0.993 130 E CA 0.435 56.840 56.400 0.009 0.000 0.819 130 E CB -0.171 29.535 29.700 0.010 0.000 0.745 130 E HN 0.148 nan 8.360 nan 0.000 0.477 131 L N 0.103 121.331 121.223 0.008 0.000 2.270 131 L HA 0.033 4.373 4.340 -0.000 0.000 0.210 131 L C 1.558 178.433 176.870 0.009 0.000 1.104 131 L CA 1.455 56.300 54.840 0.010 0.000 0.804 131 L CB -0.025 42.038 42.059 0.007 0.000 0.937 131 L HN -0.027 nan 8.230 nan 0.000 0.450 132 K N -0.966 119.438 120.400 0.006 0.000 2.116 132 K HA 0.071 4.391 4.320 -0.000 0.000 0.203 132 K C 2.102 178.707 176.600 0.008 0.000 1.052 132 K CA 0.954 57.244 56.287 0.006 0.000 0.952 132 K CB -0.276 32.225 32.500 0.003 0.000 0.729 132 K HN 0.307 nan 8.250 nan 0.000 0.446 133 A N 1.700 124.525 122.820 0.009 0.000 1.908 133 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 133 A C 2.050 179.642 177.584 0.014 0.000 1.181 133 A CA 1.210 53.253 52.037 0.010 0.000 0.627 133 A CB -0.586 18.420 19.000 0.010 0.000 0.818 133 A HN 0.271 nan 8.150 nan 0.000 0.445 134 L N -0.297 120.935 121.223 0.016 0.000 2.478 134 L HA 0.030 4.370 4.340 -0.000 0.000 0.223 134 L C 1.216 178.097 176.870 0.019 0.000 1.140 134 L CA 0.393 55.245 54.840 0.020 0.000 0.842 134 L CB -0.039 42.033 42.059 0.022 0.000 0.953 134 L HN 0.393 nan 8.230 nan 0.000 0.452 135 S N -0.049 115.660 115.700 0.015 0.000 2.481 135 S HA 0.207 4.677 4.470 -0.000 0.000 0.276 135 S C -0.213 174.394 174.600 0.013 0.000 1.247 135 S CA -0.619 57.589 58.200 0.013 0.000 1.053 135 S CB 0.756 63.962 63.200 0.011 0.000 0.925 135 S HN 0.032 nan 8.310 nan 0.000 0.491 136 V N 8.615 128.537 119.914 0.013 0.000 2.432 136 V HA 0.352 4.472 4.120 -0.000 0.000 0.275 136 V C -2.046 174.053 176.094 0.010 0.000 1.043 136 V CA -1.915 60.393 62.300 0.012 0.000 0.925 136 V CB 0.875 32.706 31.823 0.014 0.000 0.985 136 V HN 0.751 nan 8.190 nan 0.000 0.466 137 P HA 0.086 nan 4.420 nan 0.000 0.268 137 P C -0.584 176.719 177.300 0.006 0.000 1.205 137 P CA -0.128 62.975 63.100 0.006 0.000 0.771 137 P CB 0.400 32.103 31.700 0.006 0.000 0.858 138 C N 3.375 122.678 119.300 0.004 0.000 2.335 138 C HA 0.513 4.973 4.460 -0.000 0.000 0.318 138 C C 1.169 176.159 174.990 0.001 0.000 1.150 138 C CA 0.223 59.243 59.018 0.003 0.000 1.466 138 C CB -1.064 26.678 27.740 0.003 0.000 2.024 138 C HN 0.584 nan 8.230 nan 0.000 0.429 139 S N 2.264 117.965 115.700 0.001 0.000 3.039 139 S HA 0.122 4.592 4.470 -0.000 0.000 0.251 139 S C 0.339 174.938 174.600 -0.001 0.000 1.064 139 S CA 0.070 58.270 58.200 -0.001 0.000 0.822 139 S CB -0.106 63.094 63.200 0.000 0.000 0.802 139 S HN 0.963 nan 8.310 nan 0.000 0.519 140 D N 2.106 122.505 120.400 -0.000 0.000 2.378 140 D HA 0.041 4.681 4.640 -0.000 0.000 0.238 140 D C 0.842 177.141 176.300 -0.001 0.000 1.180 140 D CA 0.397 54.396 54.000 -0.001 0.000 0.895 140 D CB 0.733 41.533 40.800 0.000 0.000 1.192 140 D HN 0.259 nan 8.370 nan 0.000 0.438 141 S N -0.066 115.633 115.700 -0.002 0.000 2.561 141 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 141 S C 1.477 176.076 174.600 -0.002 0.000 0.977 141 S CA 0.313 58.512 58.200 -0.002 0.000 0.926 141 S CB -0.164 63.034 63.200 -0.003 0.000 0.769 141 S HN 0.627 nan 8.310 nan 0.000 0.533 142 K N 1.305 121.705 120.400 -0.001 0.000 2.186 142 K HA 0.224 4.544 4.320 -0.000 0.000 0.202 142 K C 2.066 178.666 176.600 0.000 0.000 1.052 142 K CA 0.850 57.137 56.287 -0.000 0.000 0.965 142 K CB -0.353 32.147 32.500 0.000 0.000 0.746 142 K HN 0.413 nan 8.250 nan 0.000 0.457 143 A N 0.826 123.647 122.820 0.000 0.000 2.021 143 A HA 0.083 4.403 4.320 -0.000 0.000 0.216 143 A C 1.879 179.463 177.584 0.000 0.000 1.163 143 A CA 0.420 52.458 52.037 0.001 0.000 0.676 143 A CB -0.223 18.778 19.000 0.002 0.000 0.818 143 A HN 0.255 nan 8.150 nan 0.000 0.453 144 I N -0.321 120.249 120.570 -0.001 0.000 2.286 144 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 144 I C 2.898 179.014 176.117 -0.002 0.000 1.104 144 I CA 0.996 62.295 61.300 -0.002 0.000 1.397 144 I CB -0.260 37.738 38.000 -0.004 0.000 1.072 144 I HN 0.330 nan 8.210 nan 0.000 0.417 145 A N 0.233 123.052 122.820 -0.002 0.000 1.930 145 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 145 A C 2.248 179.831 177.584 -0.001 0.000 1.175 145 A CA 1.357 53.393 52.037 -0.002 0.000 0.627 145 A CB -0.482 18.517 19.000 -0.002 0.000 0.815 145 A HN 0.453 nan 8.150 nan 0.000 0.443 146 Q N -0.581 119.219 119.800 -0.001 0.000 2.079 146 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 146 Q C 2.127 178.127 176.000 -0.001 0.000 0.974 146 Q CA 1.514 57.317 55.803 -0.001 0.000 0.840 146 Q CB -0.264 28.474 28.738 -0.000 0.000 0.898 146 Q HN 0.494 nan 8.270 nan 0.000 0.430 147 V N 0.349 120.264 119.914 0.001 0.000 2.358 147 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 147 V C 2.213 178.309 176.094 0.003 0.000 1.047 147 V CA 1.955 64.257 62.300 0.002 0.000 1.035 147 V CB -1.012 30.813 31.823 0.003 0.000 0.658 147 V HN 0.514 nan 8.190 nan 0.000 0.452 148 G N -0.767 108.034 108.800 0.002 0.000 2.443 148 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 148 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 148 G C 1.651 176.552 174.900 0.002 0.000 1.131 148 G CA 1.452 46.553 45.100 0.003 0.000 0.775 148 G HN 0.481 nan 8.290 nan 0.000 0.547 149 T N 0.976 115.530 114.554 -0.000 0.000 2.896 149 T HA 0.078 4.428 4.350 -0.000 0.000 0.263 149 T C 2.391 177.089 174.700 -0.003 0.000 1.050 149 T CA 0.498 62.597 62.100 -0.002 0.000 1.140 149 T CB -0.032 68.834 68.868 -0.003 0.000 0.877 149 T HN 0.253 nan 8.240 nan 0.000 0.457 150 I N 1.152 121.720 120.570 -0.003 0.000 2.163 150 I HA -0.133 4.037 4.170 -0.000 0.000 0.240 150 I C 2.610 178.725 176.117 -0.003 0.000 1.081 150 I CA 0.901 62.197 61.300 -0.005 0.000 1.353 150 I CB -0.422 37.575 38.000 -0.006 0.000 1.054 150 I HN 0.133 nan 8.210 nan 0.000 0.407 151 S N 0.718 116.419 115.700 0.001 0.000 2.419 151 S HA -0.120 4.350 4.470 -0.000 0.000 0.235 151 S C 1.668 176.270 174.600 0.005 0.000 1.019 151 S CA 1.361 59.564 58.200 0.006 0.000 0.982 151 S CB -0.273 62.934 63.200 0.012 0.000 0.789 151 S HN 0.551 nan 8.310 nan 0.000 0.490 152 A N 0.846 123.668 122.820 0.003 0.000 2.545 152 A HA 0.463 4.783 4.320 -0.000 0.000 0.277 152 A C 0.426 178.009 177.584 -0.002 0.000 1.301 152 A CA -0.463 51.576 52.037 0.002 0.000 0.935 152 A CB -0.361 18.641 19.000 0.003 0.000 1.093 152 A HN 0.330 nan 8.150 nan 0.000 0.519 153 N N -0.221 118.477 118.700 -0.004 0.000 2.663 153 N HA -0.198 4.542 4.740 -0.000 0.000 0.263 153 N C 0.474 175.979 175.510 -0.007 0.000 1.109 153 N CA 1.027 54.072 53.050 -0.007 0.000 0.701 153 N CB -1.697 36.786 38.487 -0.007 0.000 0.879 153 N HN 0.460 nan 8.380 nan 0.000 0.550 154 S N -1.272 114.423 115.700 -0.008 0.000 3.011 154 S HA -0.290 4.180 4.470 -0.000 0.000 0.278 154 S C -0.085 174.511 174.600 -0.006 0.000 1.300 154 S CA 1.376 59.571 58.200 -0.008 0.000 1.248 154 S CB -0.894 62.300 63.200 -0.010 0.000 1.517 154 S HN 0.861 nan 8.310 nan 0.000 0.685 155 D N 1.388 121.785 120.400 -0.004 0.000 2.338 155 D HA 0.284 4.924 4.640 -0.000 0.000 0.255 155 D C 1.013 177.311 176.300 -0.003 0.000 1.237 155 D CA 0.100 54.098 54.000 -0.003 0.000 0.883 155 D CB 0.551 41.350 40.800 -0.002 0.000 1.087 155 D HN 0.397 nan 8.370 nan 0.000 0.485 156 E N 1.444 121.642 120.200 -0.003 0.000 2.274 156 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 156 E C 1.479 178.078 176.600 -0.002 0.000 0.996 156 E CA 0.702 57.101 56.400 -0.002 0.000 0.840 156 E CB 0.204 29.902 29.700 -0.003 0.000 0.772 156 E HN 0.563 nan 8.360 nan 0.000 0.491 157 T N 1.054 115.607 114.554 -0.002 0.000 2.635 157 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 157 T C 2.172 176.871 174.700 -0.001 0.000 1.040 157 T CA 1.553 63.652 62.100 -0.002 0.000 1.156 157 T CB -0.481 68.386 68.868 -0.002 0.000 0.863 157 T HN 0.003 nan 8.240 nan 0.000 0.430 158 V N 1.760 121.674 119.914 -0.001 0.000 2.261 158 V HA -0.114 4.006 4.120 -0.000 0.000 0.246 158 V C 2.999 179.093 176.094 -0.000 0.000 1.047 158 V CA 2.015 64.315 62.300 0.000 0.000 1.015 158 V CB -1.617 30.207 31.823 0.002 0.000 0.642 158 V HN 0.635 nan 8.190 nan 0.000 0.446 159 G N -0.535 108.265 108.800 -0.001 0.000 2.469 159 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.220 159 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.220 159 G C 1.659 176.557 174.900 -0.002 0.000 1.136 159 G CA 1.256 46.355 45.100 -0.001 0.000 0.759 159 G HN 0.512 nan 8.290 nan 0.000 0.562 160 K N -0.321 120.078 120.400 -0.002 0.000 2.097 160 K HA 0.130 4.450 4.320 -0.000 0.000 0.205 160 K C 2.479 179.077 176.600 -0.003 0.000 1.050 160 K CA 0.511 56.797 56.287 -0.002 0.000 0.938 160 K CB -0.189 32.310 32.500 -0.002 0.000 0.718 160 K HN 0.341 nan 8.250 nan 0.000 0.442 161 L N 0.725 121.946 121.223 -0.003 0.000 2.005 161 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 161 L C 2.291 179.159 176.870 -0.004 0.000 1.072 161 L CA 1.158 55.996 54.840 -0.003 0.000 0.744 161 L CB -0.310 41.748 42.059 -0.002 0.000 0.895 161 L HN 0.195 nan 8.230 nan 0.000 0.433 162 I N -0.133 120.435 120.570 -0.004 0.000 2.127 162 I HA -0.342 3.828 4.170 -0.000 0.000 0.241 162 I C 2.771 178.884 176.117 -0.007 0.000 1.075 162 I CA 1.365 62.661 61.300 -0.006 0.000 1.334 162 I CB -0.611 37.386 38.000 -0.005 0.000 1.040 162 I HN 0.229 nan 8.210 nan 0.000 0.405 163 A N 0.248 123.064 122.820 -0.006 0.000 1.986 163 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 163 A C 2.193 179.774 177.584 -0.006 0.000 1.171 163 A CA 1.932 53.966 52.037 -0.006 0.000 0.640 163 A CB -0.575 18.422 19.000 -0.004 0.000 0.811 163 A HN 0.534 nan 8.150 nan 0.000 0.451 164 E N -0.756 119.440 120.200 -0.006 0.000 2.122 164 E HA 0.085 4.435 4.350 -0.000 0.000 0.190 164 E C 2.275 178.870 176.600 -0.007 0.000 0.977 164 E CA 0.615 57.011 56.400 -0.006 0.000 0.820 164 E CB -0.172 29.526 29.700 -0.005 0.000 0.770 164 E HN 0.610 nan 8.360 nan 0.000 0.462 165 A N 1.030 123.845 122.820 -0.008 0.000 1.929 165 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 165 A C 2.095 179.672 177.584 -0.012 0.000 1.176 165 A CA 0.994 53.025 52.037 -0.010 0.000 0.628 165 A CB -0.261 18.732 19.000 -0.011 0.000 0.816 165 A HN 0.114 nan 8.150 nan 0.000 0.444 166 M N -1.104 118.488 119.600 -0.013 0.000 2.419 166 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 166 M C 1.476 177.770 176.300 -0.011 0.000 1.082 166 M CA 1.320 56.611 55.300 -0.014 0.000 1.119 166 M CB -0.297 32.294 32.600 -0.015 0.000 1.398 166 M HN 0.393 nan 8.290 nan 0.000 0.453 167 D N 0.564 120.959 120.400 -0.009 0.000 2.277 167 D HA -0.083 4.557 4.640 -0.000 0.000 0.208 167 D C 2.002 178.298 176.300 -0.007 0.000 0.962 167 D CA 0.953 54.949 54.000 -0.007 0.000 0.865 167 D CB 0.383 41.180 40.800 -0.006 0.000 0.939 167 D HN 0.011 nan 8.370 nan 0.000 0.510 168 K N -0.085 120.310 120.400 -0.007 0.000 1.995 168 K HA -0.031 4.289 4.320 -0.000 0.000 0.207 168 K C 2.191 178.786 176.600 -0.008 0.000 1.041 168 K CA 1.402 57.684 56.287 -0.007 0.000 0.942 168 K CB -0.636 31.860 32.500 -0.007 0.000 0.731 168 K HN 0.218 nan 8.250 nan 0.000 0.439 169 V N -2.631 117.278 119.914 -0.009 0.000 2.725 169 V HA 0.289 4.409 4.120 -0.000 0.000 0.247 169 V C 1.077 177.165 176.094 -0.010 0.000 1.058 169 V CA 0.849 63.143 62.300 -0.010 0.000 1.080 169 V CB -0.391 31.425 31.823 -0.011 0.000 0.713 169 V HN 0.434 nan 8.190 nan 0.000 0.465 170 G N -0.121 108.672 108.800 -0.011 0.000 2.343 170 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.465 170 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.465 170 G C -0.086 174.806 174.900 -0.014 0.000 1.282 170 G CA -0.090 45.003 45.100 -0.011 0.000 0.996 170 G HN 0.112 nan 8.290 nan 0.000 0.521 171 K N -0.136 120.256 120.400 -0.012 0.000 2.148 171 K HA 0.007 4.327 4.320 -0.000 0.000 0.204 171 K C 1.607 178.196 176.600 -0.019 0.000 1.050 171 K CA 1.520 57.798 56.287 -0.015 0.000 0.942 171 K CB 0.047 32.541 32.500 -0.010 0.000 0.724 171 K HN 0.466 nan 8.250 nan 0.000 0.446 172 E N 0.198 120.388 120.200 -0.017 0.000 2.476 172 E HA 0.049 4.399 4.350 -0.000 0.000 0.199 172 E C 0.743 177.330 176.600 -0.021 0.000 1.021 172 E CA -0.035 56.355 56.400 -0.018 0.000 0.907 172 E CB 0.577 30.270 29.700 -0.011 0.000 0.974 172 E HN 0.186 nan 8.360 nan 0.000 0.489 173 G N 1.646 110.434 108.800 -0.020 0.000 2.432 173 G HA2 0.173 4.133 3.960 -0.000 0.000 0.239 173 G HA3 0.173 4.133 3.960 -0.000 0.000 0.239 173 G C 0.361 175.245 174.900 -0.026 0.000 1.291 173 G CA -0.392 44.696 45.100 -0.019 0.000 0.863 173 G HN -0.063 nan 8.290 nan 0.000 0.560 174 V N 3.087 122.988 119.914 -0.022 0.000 2.479 174 V HA 0.197 4.317 4.120 -0.000 0.000 0.281 174 V C 0.492 176.570 176.094 -0.028 0.000 1.031 174 V CA 0.353 62.636 62.300 -0.029 0.000 1.038 174 V CB 0.070 31.881 31.823 -0.021 0.000 0.981 174 V HN 0.467 nan 8.190 nan 0.000 0.478 175 I N 4.536 125.083 120.570 -0.038 0.000 2.466 175 I HA 0.526 4.696 4.170 -0.000 0.000 0.289 175 I C -0.087 176.013 176.117 -0.029 0.000 1.026 175 I CA -0.208 61.073 61.300 -0.031 0.000 1.078 175 I CB 2.192 40.172 38.000 -0.033 0.000 1.249 175 I HN 0.524 nan 8.210 nan 0.000 0.429 176 T N 4.889 119.432 114.554 -0.018 0.000 2.876 176 T HA 0.519 4.869 4.350 -0.000 0.000 0.289 176 T C -0.815 173.882 174.700 -0.005 0.000 1.014 176 T CA -0.661 61.432 62.100 -0.010 0.000 0.986 176 T CB 2.592 71.453 68.868 -0.010 0.000 1.021 176 T HN 0.341 nan 8.240 nan 0.000 0.458 177 V N 3.126 123.041 119.914 0.002 0.000 2.495 177 V HA 0.783 4.903 4.120 -0.000 0.000 0.298 177 V C -0.815 175.282 176.094 0.005 0.000 1.031 177 V CA -0.469 61.834 62.300 0.004 0.000 0.871 177 V CB 1.300 33.128 31.823 0.008 0.000 0.988 177 V HN 1.073 nan 8.190 nan 0.000 0.432 178 E N 3.685 123.886 120.200 0.002 0.000 2.433 178 E HA 0.521 4.871 4.350 -0.000 0.000 0.264 178 E C -1.480 175.121 176.600 0.001 0.000 0.960 178 E CA -1.140 55.261 56.400 0.002 0.000 0.866 178 E CB 0.931 30.631 29.700 -0.000 0.000 1.615 178 E HN 0.482 nan 8.360 nan 0.000 0.442 179 D N 0.362 120.762 120.400 0.001 0.000 2.455 179 D HA 0.229 4.869 4.640 -0.000 0.000 0.241 179 D C 0.165 176.464 176.300 -0.001 0.000 1.138 179 D CA 0.473 54.473 54.000 -0.000 0.000 0.877 179 D CB 1.200 42.000 40.800 -0.000 0.000 1.187 179 D HN 0.544 nan 8.370 nan 0.000 0.451 180 G N -0.230 108.569 108.800 -0.001 0.000 2.543 180 G HA2 0.377 4.337 3.960 -0.000 0.000 0.290 180 G HA3 0.377 4.337 3.960 -0.000 0.000 0.290 180 G C 0.584 175.483 174.900 -0.002 0.000 1.310 180 G CA -0.302 44.796 45.100 -0.002 0.000 1.025 180 G HN 0.454 nan 8.290 nan 0.000 0.502 181 T N -3.954 110.599 114.554 -0.003 0.000 3.111 181 T HA 0.566 4.916 4.350 -0.000 0.000 0.284 181 T C 0.539 175.238 174.700 -0.002 0.000 0.983 181 T CA 0.503 62.601 62.100 -0.003 0.000 0.900 181 T CB 0.317 69.183 68.868 -0.003 0.000 1.132 181 T HN 1.897 nan 8.240 nan 0.000 0.531 182 G N 1.075 109.874 108.800 -0.002 0.000 2.368 182 G HA2 0.335 4.295 3.960 -0.000 0.000 0.303 182 G HA3 0.335 4.295 3.960 -0.000 0.000 0.303 182 G C -1.261 173.638 174.900 -0.002 0.000 1.590 182 G CA -1.123 43.976 45.100 -0.002 0.000 0.938 182 G HN 0.310 nan 8.290 nan 0.000 0.675 183 L N 1.447 122.669 121.223 -0.002 0.000 2.852 183 L HA 0.193 4.533 4.340 -0.000 0.000 0.281 183 L C -0.095 176.774 176.870 -0.002 0.000 1.110 183 L CA 1.682 56.521 54.840 -0.002 0.000 1.030 183 L CB -1.011 41.047 42.059 -0.002 0.000 1.405 183 L HN 0.845 nan 8.230 nan 0.000 0.464 184 Q N 3.033 122.832 119.800 -0.002 0.000 3.454 184 Q HA 0.053 4.393 4.340 -0.000 0.000 0.141 184 Q C -1.592 174.407 176.000 -0.002 0.000 0.983 184 Q CA -0.482 55.320 55.803 -0.002 0.000 1.241 184 Q CB 0.618 29.355 28.738 -0.002 0.000 1.727 184 Q HN 0.617 nan 8.270 nan 0.000 0.594 185 D N 2.959 123.358 120.400 -0.002 0.000 2.255 185 D HA 0.291 4.931 4.640 -0.000 0.000 0.249 185 D C -0.347 175.951 176.300 -0.003 0.000 1.078 185 D CA 0.123 54.122 54.000 -0.002 0.000 0.896 185 D CB 1.212 42.011 40.800 -0.002 0.000 1.194 185 D HN 0.323 nan 8.370 nan 0.000 0.429 186 E N 0.335 120.533 120.200 -0.003 0.000 2.312 186 E HA 0.561 4.911 4.350 -0.000 0.000 0.267 186 E C -1.094 175.504 176.600 -0.004 0.000 0.894 186 E CA -0.982 55.416 56.400 -0.003 0.000 0.773 186 E CB 2.471 32.169 29.700 -0.004 0.000 1.241 186 E HN 0.051 nan 8.360 nan 0.000 0.432 187 L N 2.342 123.563 121.223 -0.004 0.000 2.446 187 L HA 0.440 4.780 4.340 -0.000 0.000 0.268 187 L C -1.898 174.969 176.870 -0.005 0.000 0.975 187 L CA -0.262 54.575 54.840 -0.005 0.000 0.848 187 L CB 1.402 43.458 42.059 -0.005 0.000 1.225 187 L HN 0.447 nan 8.230 nan 0.000 0.410 188 D N 4.681 125.078 120.400 -0.006 0.000 2.788 188 D HA 0.313 4.953 4.640 -0.000 0.000 0.247 188 D C -0.828 175.468 176.300 -0.006 0.000 1.236 188 D CA -0.217 53.779 54.000 -0.006 0.000 0.898 188 D CB 2.875 43.671 40.800 -0.006 0.000 1.401 188 D HN 0.193 nan 8.370 nan 0.000 0.549 189 V N 2.470 122.380 119.914 -0.006 0.000 2.405 189 V HA 0.231 4.351 4.120 -0.000 0.000 0.264 189 V C 0.736 176.827 176.094 -0.005 0.000 1.048 189 V CA -0.447 61.850 62.300 -0.006 0.000 0.966 189 V CB 0.762 32.582 31.823 -0.006 0.000 1.015 189 V HN 0.371 nan 8.190 nan 0.000 0.477 190 V N 1.985 121.896 119.914 -0.005 0.000 2.919 190 V HA 0.635 4.755 4.120 -0.000 0.000 0.316 190 V C 0.079 176.172 176.094 -0.003 0.000 1.077 190 V CA -1.159 61.138 62.300 -0.005 0.000 0.977 190 V CB 1.919 33.738 31.823 -0.006 0.000 1.039 190 V HN 0.647 nan 8.190 nan 0.000 0.441 191 E N 2.219 122.418 120.200 -0.002 0.000 2.463 191 E HA 0.379 4.729 4.350 -0.000 0.000 0.248 191 E C 0.320 176.922 176.600 0.004 0.000 1.106 191 E CA 0.835 57.235 56.400 0.000 0.000 0.946 191 E CB 0.388 30.087 29.700 -0.001 0.000 0.971 191 E HN 1.057 nan 8.360 nan 0.000 0.478 192 G N 1.749 110.554 108.800 0.009 0.000 2.949 192 G HA2 0.767 4.727 3.960 -0.000 0.000 0.285 192 G HA3 0.767 4.727 3.960 -0.000 0.000 0.285 192 G C -0.890 174.028 174.900 0.030 0.000 1.395 192 G CA -0.653 44.457 45.100 0.017 0.000 0.901 192 G HN 0.371 nan 8.290 nan 0.000 0.519 193 M N 0.601 120.230 119.600 0.048 0.000 2.342 193 M HA 0.239 4.719 4.480 -0.000 0.000 0.260 193 M C -2.032 174.343 176.300 0.125 0.000 1.023 193 M CA -0.420 54.929 55.300 0.081 0.000 0.919 193 M CB 2.188 34.842 32.600 0.090 0.000 2.048 193 M HN 0.683 nan 8.290 nan 0.000 0.479 194 Q N 4.761 124.621 119.800 0.100 0.000 2.333 194 Q HA 0.728 5.068 4.340 -0.000 0.000 0.267 194 Q C -1.888 174.184 176.000 0.119 0.000 1.012 194 Q CA -0.619 55.206 55.803 0.035 0.000 0.824 194 Q CB 1.680 30.391 28.738 -0.044 0.000 1.290 194 Q HN 0.564 nan 8.270 nan 0.000 0.449 195 F N 0.131 120.077 119.950 -0.007 0.000 2.618 195 F HA 0.524 5.051 4.527 -0.000 0.000 0.332 195 F C -0.262 175.536 175.800 -0.004 0.000 1.061 195 F CA -1.343 56.655 58.000 -0.003 0.000 0.974 195 F CB 0.826 39.825 39.000 -0.001 0.000 1.310 195 F HN 0.326 nan 8.300 nan 0.000 0.491 196 D N 2.068 122.576 120.400 0.181 0.000 2.994 196 D HA 0.165 4.805 4.640 -0.000 0.000 0.240 196 D C -0.321 176.035 176.300 0.094 0.000 1.195 196 D CA 0.278 54.323 54.000 0.075 0.000 0.957 196 D CB -0.259 40.592 40.800 0.086 0.000 1.105 196 D HN 0.284 nan 8.370 nan 0.000 0.477 197 R N 0.369 120.887 120.500 0.031 0.000 2.531 197 R HA 0.404 4.744 4.340 -0.000 0.000 0.293 197 R C 0.304 176.550 176.300 -0.090 0.000 1.124 197 R CA -0.611 55.534 56.100 0.076 0.000 0.945 197 R CB 1.650 32.179 30.300 0.381 0.000 1.195 197 R HN 0.129 nan 8.270 nan 0.000 0.433 198 G N 1.356 110.073 108.800 -0.137 0.000 2.543 198 G HA2 0.357 4.317 3.960 -0.000 0.000 0.290 198 G HA3 0.357 4.317 3.960 -0.000 0.000 0.290 198 G C -0.349 174.460 174.900 -0.153 0.000 1.310 198 G CA -0.527 44.413 45.100 -0.268 0.000 1.025 198 G HN 0.444 nan 8.290 nan 0.000 0.502 199 Y N -1.558 118.755 120.300 0.021 0.000 2.788 199 Y HA 0.168 4.718 4.550 -0.000 0.000 0.341 199 Y C 1.138 177.104 175.900 0.110 0.000 1.258 199 Y CA -0.607 57.527 58.100 0.057 0.000 1.503 199 Y CB 0.281 38.819 38.460 0.130 0.000 1.325 199 Y HN 0.172 nan 8.280 nan 0.000 0.614 200 L N 1.506 122.941 121.223 0.353 0.000 2.567 200 L HA 0.168 4.508 4.340 -0.000 0.000 0.225 200 L C 0.548 177.643 176.870 0.374 0.000 1.119 200 L CA 0.704 55.721 54.840 0.295 0.000 0.871 200 L CB 0.106 42.296 42.059 0.219 0.000 1.036 200 L HN 0.793 nan 8.230 nan 0.000 0.459 201 S N -1.556 114.467 115.700 0.538 0.000 2.563 201 S HA 0.378 4.848 4.470 -0.000 0.000 0.279 201 S C -2.519 172.195 174.600 0.190 0.000 1.155 201 S CA -1.112 57.300 58.200 0.354 0.000 0.928 201 S CB 1.352 64.712 63.200 0.267 0.000 1.107 201 S HN -0.251 nan 8.310 nan 0.000 0.462 202 P HA 0.110 nan 4.420 nan 0.000 0.288 202 P C 0.115 177.159 177.300 -0.427 0.000 1.320 202 P CA 0.709 63.495 63.100 -0.524 0.000 0.862 202 P CB -0.028 31.237 31.700 -0.725 0.000 1.369 203 Y N -5.686 114.416 120.300 -0.329 0.000 4.138 203 Y HA -0.287 4.263 4.550 -0.000 0.000 0.347 203 Y C 1.794 177.496 175.900 -0.330 0.000 1.116 203 Y CA 1.288 59.193 58.100 -0.324 0.000 2.132 203 Y CB -3.168 35.075 38.460 -0.363 0.000 0.967 203 Y HN 0.118 nan 8.280 nan 0.000 0.470 204 F N 0.216 120.140 119.950 -0.044 0.000 2.293 204 F HA 0.028 4.555 4.527 -0.000 0.000 0.300 204 F C 1.448 177.191 175.800 -0.094 0.000 1.086 204 F CA 0.495 58.464 58.000 -0.052 0.000 1.375 204 F CB -0.364 38.608 39.000 -0.047 0.000 1.045 204 F HN -0.069 nan 8.300 nan 0.000 0.516 205 I N 2.557 123.095 120.570 -0.054 0.000 2.680 205 I HA -0.126 4.044 4.170 -0.000 0.000 0.286 205 I C 0.645 176.743 176.117 -0.031 0.000 1.144 205 I CA 0.213 61.456 61.300 -0.094 0.000 1.370 205 I CB -0.041 37.816 38.000 -0.238 0.000 1.420 205 I HN 0.187 nan 8.210 nan 0.000 0.540 206 N N 5.142 123.848 118.700 0.009 0.000 2.236 206 N HA 0.031 4.771 4.740 -0.000 0.000 0.196 206 N C -0.129 175.385 175.510 0.006 0.000 1.114 206 N CA 0.041 53.098 53.050 0.013 0.000 0.859 206 N CB 0.446 38.951 38.487 0.030 0.000 0.982 206 N HN 0.317 nan 8.380 nan 0.000 0.493 207 K N 0.961 121.364 120.400 0.005 0.000 2.579 207 K HA 0.268 4.588 4.320 -0.000 0.000 0.225 207 K C -2.286 174.312 176.600 -0.003 0.000 0.992 207 K CA -1.460 54.830 56.287 0.004 0.000 1.018 207 K CB 2.450 34.958 32.500 0.013 0.000 1.249 207 K HN -0.011 nan 8.250 nan 0.000 0.489 208 P HA -0.022 nan 4.420 nan 0.000 0.236 208 P C 0.447 177.739 177.300 -0.014 0.000 1.177 208 P CA 0.657 63.745 63.100 -0.021 0.000 0.773 208 P CB 0.551 32.237 31.700 -0.024 0.000 0.878 209 E N -0.002 120.193 120.200 -0.008 0.000 2.051 209 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 209 E C 1.917 178.511 176.600 -0.010 0.000 0.991 209 E CA 2.264 58.659 56.400 -0.008 0.000 0.799 209 E CB -1.382 28.315 29.700 -0.005 0.000 0.748 209 E HN 0.355 nan 8.360 nan 0.000 0.449 210 T N -3.558 110.994 114.554 -0.003 0.000 3.031 210 T HA 0.286 4.636 4.350 -0.000 0.000 0.254 210 T C 1.548 176.254 174.700 0.009 0.000 1.060 210 T CA 0.267 62.365 62.100 -0.003 0.000 1.135 210 T CB 0.299 69.171 68.868 0.006 0.000 0.896 210 T HN 0.344 nan 8.240 nan 0.000 0.472 211 G N 1.042 109.857 108.800 0.024 0.000 2.215 211 G HA2 0.293 4.253 3.960 -0.000 0.000 0.198 211 G HA3 0.293 4.253 3.960 -0.000 0.000 0.198 211 G C -0.066 174.923 174.900 0.149 0.000 1.047 211 G CA -0.323 44.811 45.100 0.057 0.000 0.747 211 G HN 1.213 nan 8.290 nan 0.000 0.495 212 A N -0.788 122.097 122.820 0.109 0.000 2.486 212 A HA 0.843 5.163 4.320 -0.000 0.000 0.300 212 A C -0.256 177.391 177.584 0.105 0.000 1.048 212 A CA -0.327 51.804 52.037 0.156 0.000 0.696 212 A CB 1.966 21.024 19.000 0.098 0.000 1.278 212 A HN 1.374 nan 8.150 nan 0.000 0.405 213 V N 1.901 121.904 119.914 0.148 0.000 2.408 213 V HA 0.358 4.478 4.120 -0.000 0.000 0.267 213 V C 0.330 176.465 176.094 0.067 0.000 1.047 213 V CA -0.026 62.335 62.300 0.102 0.000 0.937 213 V CB 0.725 32.627 31.823 0.132 0.000 0.999 213 V HN 0.882 nan 8.190 nan 0.000 0.472 214 E N 5.132 125.361 120.200 0.048 0.000 2.165 214 E HA 0.641 4.991 4.350 -0.000 0.000 0.266 214 E C -1.557 175.060 176.600 0.028 0.000 0.889 214 E CA -0.653 55.765 56.400 0.031 0.000 0.756 214 E CB 1.500 31.214 29.700 0.024 0.000 1.131 214 E HN 0.649 nan 8.360 nan 0.000 0.411 215 L N 3.905 125.140 121.223 0.020 0.000 2.376 215 L HA 0.439 4.779 4.340 -0.000 0.000 0.275 215 L C -0.503 176.367 176.870 0.001 0.000 0.987 215 L CA -0.642 54.208 54.840 0.016 0.000 0.828 215 L CB 1.960 44.031 42.059 0.021 0.000 1.249 215 L HN 0.484 nan 8.230 nan 0.000 0.409 216 E N 1.688 121.885 120.200 -0.004 0.000 2.175 216 E HA 0.330 4.680 4.350 -0.000 0.000 0.278 216 E C -0.220 176.356 176.600 -0.041 0.000 0.969 216 E CA -0.488 55.900 56.400 -0.019 0.000 0.796 216 E CB 1.461 31.154 29.700 -0.013 0.000 1.104 216 E HN 0.584 nan 8.360 nan 0.000 0.395 217 S N 1.896 117.556 115.700 -0.066 0.000 3.608 217 S HA -0.123 4.347 4.470 -0.000 0.000 0.382 217 S C -2.453 172.033 174.600 -0.189 0.000 0.945 217 S CA -0.022 58.104 58.200 -0.124 0.000 1.256 217 S CB -1.320 61.812 63.200 -0.114 0.000 0.913 217 S HN 0.419 nan 8.310 nan 0.000 0.518 218 P HA 0.652 nan 4.420 nan 0.000 0.281 218 P C -0.164 176.991 177.300 -0.242 0.000 1.264 218 P CA -0.681 62.344 63.100 -0.124 0.000 0.824 218 P CB 0.495 32.180 31.700 -0.024 0.000 1.092 219 F N 0.113 120.069 119.950 0.010 0.000 2.422 219 F HA 0.473 5.000 4.527 -0.000 0.000 0.333 219 F C 0.577 176.382 175.800 0.007 0.000 1.095 219 F CA -0.252 57.753 58.000 0.008 0.000 1.038 219 F CB 0.810 39.814 39.000 0.007 0.000 1.156 219 F HN -0.003 nan 8.300 nan 0.000 0.483 220 I N 4.452 125.136 120.570 0.189 0.000 2.437 220 I HA 0.190 4.360 4.170 -0.000 0.000 0.279 220 I C -0.950 175.218 176.117 0.084 0.000 1.028 220 I CA -0.737 60.626 61.300 0.104 0.000 1.142 220 I CB 1.294 39.334 38.000 0.065 0.000 1.266 220 I HN 0.335 nan 8.210 nan 0.000 0.461 221 L N 7.881 129.144 121.223 0.066 0.000 2.500 221 L HA 0.213 4.553 4.340 -0.000 0.000 0.272 221 L C -0.671 176.211 176.870 0.020 0.000 1.149 221 L CA 0.602 55.465 54.840 0.038 0.000 0.897 221 L CB 0.133 42.208 42.059 0.027 0.000 1.178 221 L HN 0.458 nan 8.230 nan 0.000 0.473 222 L N 6.540 127.770 121.223 0.012 0.000 2.277 222 L HA 0.694 5.034 4.340 -0.000 0.000 0.284 222 L C -0.123 176.741 176.870 -0.010 0.000 1.028 222 L CA -0.159 54.677 54.840 -0.007 0.000 0.835 222 L CB 1.075 43.128 42.059 -0.010 0.000 1.215 222 L HN 0.777 nan 8.230 nan 0.000 0.425 223 A N 1.745 124.557 122.820 -0.014 0.000 2.374 223 A HA 0.502 4.822 4.320 -0.000 0.000 0.305 223 A C -0.909 176.667 177.584 -0.014 0.000 1.053 223 A CA -0.533 51.498 52.037 -0.010 0.000 0.726 223 A CB 1.357 20.356 19.000 -0.001 0.000 1.229 223 A HN 0.565 nan 8.150 nan 0.000 0.431 224 D N 1.773 122.166 120.400 -0.012 0.000 2.767 224 D HA 0.416 5.056 4.640 -0.000 0.000 0.241 224 D C -0.237 176.062 176.300 -0.002 0.000 1.187 224 D CA 0.227 54.221 54.000 -0.011 0.000 0.999 224 D CB -0.492 40.299 40.800 -0.015 0.000 1.042 224 D HN 0.610 nan 8.370 nan 0.000 0.510 225 K N -0.840 119.561 120.400 0.003 0.000 2.685 225 K HA 0.310 4.630 4.320 -0.000 0.000 0.290 225 K C -1.151 175.458 176.600 0.015 0.000 1.018 225 K CA -1.105 55.187 56.287 0.009 0.000 0.860 225 K CB 0.755 33.260 32.500 0.008 0.000 1.498 225 K HN -0.227 nan 8.250 nan 0.000 0.390 226 K N 1.828 122.240 120.400 0.019 0.000 2.310 226 K HA 0.284 4.604 4.320 -0.000 0.000 0.290 226 K C -0.611 176.004 176.600 0.023 0.000 1.077 226 K CA -0.265 56.037 56.287 0.024 0.000 0.922 226 K CB 0.240 32.756 32.500 0.026 0.000 1.057 226 K HN 0.392 nan 8.250 nan 0.000 0.479 227 I N 2.883 123.469 120.570 0.027 0.000 2.282 227 I HA 0.022 4.192 4.170 -0.000 0.000 0.290 227 I C 0.581 176.718 176.117 0.033 0.000 1.090 227 I CA 0.072 61.388 61.300 0.027 0.000 1.231 227 I CB 1.023 39.039 38.000 0.026 0.000 1.434 227 I HN 0.548 nan 8.210 nan 0.000 0.487 228 S N 3.288 119.005 115.700 0.029 0.000 2.524 228 S HA 0.210 4.680 4.470 -0.000 0.000 0.215 228 S C 0.540 175.156 174.600 0.026 0.000 0.986 228 S CA -0.160 58.058 58.200 0.030 0.000 0.911 228 S CB -0.084 63.132 63.200 0.026 0.000 0.805 228 S HN 0.555 nan 8.310 nan 0.000 0.501 229 N N 1.192 119.906 118.700 0.023 0.000 2.407 229 N HA 0.388 5.128 4.740 -0.000 0.000 0.277 229 N C -0.344 175.179 175.510 0.021 0.000 0.995 229 N CA -0.264 52.797 53.050 0.019 0.000 0.903 229 N CB 1.712 40.208 38.487 0.014 0.000 1.218 229 N HN 0.082 nan 8.380 nan 0.000 0.487 230 I N 2.028 122.611 120.570 0.022 0.000 3.605 230 I HA -0.006 4.164 4.170 -0.000 0.000 0.301 230 I C 2.110 178.235 176.117 0.014 0.000 1.267 230 I CA 0.381 61.694 61.300 0.022 0.000 1.236 230 I CB 0.041 38.057 38.000 0.026 0.000 1.010 230 I HN 0.400 nan 8.210 nan 0.000 0.491 231 R N 0.769 121.276 120.500 0.011 0.000 2.119 231 R HA -0.120 4.220 4.340 -0.000 0.000 0.222 231 R C 1.676 177.979 176.300 0.004 0.000 1.088 231 R CA 1.376 57.480 56.100 0.007 0.000 0.984 231 R CB 0.089 30.392 30.300 0.006 0.000 0.884 231 R HN 0.467 nan 8.270 nan 0.000 0.447 232 E N -0.295 119.908 120.200 0.006 0.000 2.299 232 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 232 E C 1.617 178.218 176.600 0.001 0.000 0.998 232 E CA 0.333 56.735 56.400 0.003 0.000 0.851 232 E CB 0.134 29.837 29.700 0.005 0.000 0.795 232 E HN 0.223 nan 8.360 nan 0.000 0.492 233 M N 0.576 120.179 119.600 0.005 0.000 2.557 233 M HA 0.023 4.503 4.480 -0.000 0.000 0.259 233 M C 1.896 178.195 176.300 -0.001 0.000 1.086 233 M CA 0.883 56.186 55.300 0.005 0.000 1.096 233 M CB -0.408 32.201 32.600 0.016 0.000 1.424 233 M HN 0.199 nan 8.290 nan 0.000 0.488 234 L N 0.510 121.731 121.223 -0.002 0.000 2.056 234 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 234 L C -0.292 176.569 176.870 -0.015 0.000 1.078 234 L CA 1.368 56.205 54.840 -0.006 0.000 0.749 234 L CB -2.116 39.941 42.059 -0.004 0.000 0.901 234 L HN 0.177 nan 8.230 nan 0.000 0.433 235 P HA -0.104 nan 4.420 nan 0.000 0.216 235 P C 1.856 179.131 177.300 -0.042 0.000 1.153 235 P CA 1.295 64.378 63.100 -0.027 0.000 0.848 235 P CB 0.030 31.716 31.700 -0.024 0.000 0.787 236 V N 0.415 120.305 119.914 -0.040 0.000 2.307 236 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 236 V C 2.779 178.834 176.094 -0.065 0.000 1.045 236 V CA 1.519 63.785 62.300 -0.057 0.000 1.024 236 V CB -1.395 30.406 31.823 -0.037 0.000 0.651 236 V HN -0.013 nan 8.190 nan 0.000 0.449 237 L N -0.319 120.883 121.223 -0.036 0.000 2.362 237 L HA -0.120 4.220 4.340 -0.000 0.000 0.219 237 L C 2.390 179.241 176.870 -0.031 0.000 1.134 237 L CA 1.273 56.099 54.840 -0.024 0.000 0.807 237 L CB -0.394 41.665 42.059 0.000 0.000 0.927 237 L HN 0.423 nan 8.230 nan 0.000 0.447 238 E N -0.438 119.738 120.200 -0.040 0.000 2.340 238 E HA 0.019 4.369 4.350 -0.000 0.000 0.194 238 E C 2.059 178.622 176.600 -0.062 0.000 0.996 238 E CA 0.597 56.974 56.400 -0.038 0.000 0.869 238 E CB 0.137 29.819 29.700 -0.029 0.000 0.835 238 E HN 0.421 nan 8.360 nan 0.000 0.493 239 A N 0.591 123.353 122.820 -0.096 0.000 2.169 239 A HA 0.033 4.353 4.320 -0.000 0.000 0.212 239 A C 1.970 179.412 177.584 -0.238 0.000 1.153 239 A CA 0.444 52.391 52.037 -0.149 0.000 0.756 239 A CB 0.290 19.191 19.000 -0.164 0.000 0.813 239 A HN 0.087 nan 8.150 nan 0.000 0.471 240 V N -1.382 118.420 119.914 -0.188 0.000 3.621 240 V HA 0.085 4.205 4.120 -0.000 0.000 0.263 240 V C 2.632 178.707 176.094 -0.030 0.000 1.272 240 V CA 0.908 63.108 62.300 -0.167 0.000 1.080 240 V CB -0.036 31.726 31.823 -0.101 0.000 0.816 240 V HN 0.503 nan 8.190 nan 0.000 0.451 241 A N 0.538 123.341 122.820 -0.028 0.000 1.902 241 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 241 A C 1.360 178.948 177.584 0.007 0.000 1.181 241 A CA 1.096 53.133 52.037 0.001 0.000 0.623 241 A CB -0.234 18.763 19.000 -0.005 0.000 0.818 241 A HN 0.549 nan 8.150 nan 0.000 0.443 242 K N -1.878 118.514 120.400 -0.014 0.000 2.168 242 K HA 0.461 4.781 4.320 -0.000 0.000 0.258 242 K C 0.836 177.454 176.600 0.030 0.000 1.010 242 K CA 0.271 56.558 56.287 -0.001 0.000 0.929 242 K CB 0.418 32.906 32.500 -0.021 0.000 0.998 242 K HN 0.783 nan 8.250 nan 0.000 0.479 243 A N 1.428 124.280 122.820 0.054 0.000 3.829 243 A HA -0.180 4.140 4.320 -0.000 0.000 0.264 243 A C 1.092 178.741 177.584 0.108 0.000 0.998 243 A CA 1.156 53.253 52.037 0.100 0.000 1.270 243 A CB -2.428 16.679 19.000 0.179 0.000 1.063 243 A HN 1.551 nan 8.150 nan 0.000 0.879 244 G N -0.877 107.977 108.800 0.091 0.000 2.359 244 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.298 244 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.298 244 G C -0.257 174.704 174.900 0.101 0.000 1.030 244 G CA 1.329 46.477 45.100 0.079 0.000 1.149 244 G HN 1.253 nan 8.290 nan 0.000 0.512 245 K N 0.321 120.817 120.400 0.160 0.000 2.422 245 K HA 0.489 4.809 4.320 -0.000 0.000 0.251 245 K C -2.370 174.344 176.600 0.191 0.000 0.933 245 K CA -2.213 54.178 56.287 0.174 0.000 0.798 245 K CB 2.644 35.295 32.500 0.253 0.000 1.238 245 K HN 0.023 nan 8.250 nan 0.000 0.428 246 P HA 0.028 nan 4.420 nan 0.000 0.278 246 P C -1.181 176.214 177.300 0.157 0.000 1.270 246 P CA -0.472 62.694 63.100 0.110 0.000 0.800 246 P CB 0.406 32.144 31.700 0.063 0.000 1.142 247 L N -0.242 121.049 121.223 0.113 0.000 2.455 247 L HA 0.558 4.898 4.340 -0.000 0.000 0.264 247 L C -1.709 175.193 176.870 0.053 0.000 0.968 247 L CA -0.788 54.120 54.840 0.113 0.000 0.827 247 L CB 1.735 43.852 42.059 0.097 0.000 1.317 247 L HN 0.078 nan 8.230 nan 0.000 0.407 248 L N 5.716 126.973 121.223 0.057 0.000 2.296 248 L HA 0.648 4.988 4.340 -0.000 0.000 0.286 248 L C -1.158 175.724 176.870 0.021 0.000 1.023 248 L CA -0.256 54.597 54.840 0.021 0.000 0.812 248 L CB 1.376 43.459 42.059 0.039 0.000 1.223 248 L HN 0.405 nan 8.230 nan 0.000 0.421 249 I N 7.153 127.715 120.570 -0.014 0.000 2.328 249 I HA 0.317 4.487 4.170 -0.000 0.000 0.287 249 I C -0.167 175.955 176.117 0.008 0.000 1.012 249 I CA -0.305 60.992 61.300 -0.004 0.000 1.195 249 I CB 0.851 38.839 38.000 -0.020 0.000 1.350 249 I HN 0.507 nan 8.210 nan 0.000 0.464 250 I N 5.912 126.490 120.570 0.013 0.000 2.442 250 I HA 0.529 4.699 4.170 -0.000 0.000 0.279 250 I C 0.468 176.576 176.117 -0.015 0.000 1.081 250 I CA -0.194 61.106 61.300 0.001 0.000 1.197 250 I CB 0.903 38.886 38.000 -0.029 0.000 1.394 250 I HN 0.619 nan 8.210 nan 0.000 0.488 251 A N 3.934 126.754 122.820 -0.000 0.000 2.392 251 A HA 0.460 4.780 4.320 -0.000 0.000 0.283 251 A C 1.027 178.615 177.584 0.005 0.000 1.197 251 A CA -0.480 51.557 52.037 0.001 0.000 0.895 251 A CB 1.176 20.184 19.000 0.013 0.000 1.400 251 A HN 0.643 nan 8.150 nan 0.000 0.461 252 E N -0.887 119.320 120.200 0.010 0.000 2.110 252 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 252 E C -0.548 176.072 176.600 0.034 0.000 0.988 252 E CA 1.358 57.771 56.400 0.020 0.000 0.804 252 E CB 0.180 29.893 29.700 0.022 0.000 0.745 252 E HN 0.564 nan 8.360 nan 0.000 0.458 253 D N -1.741 118.680 120.400 0.036 0.000 2.720 253 D HA 0.165 4.805 4.640 -0.000 0.000 0.239 253 D C -1.862 174.466 176.300 0.048 0.000 1.218 253 D CA -0.457 53.572 54.000 0.047 0.000 0.748 253 D CB 2.186 43.014 40.800 0.047 0.000 1.387 253 D HN -0.132 nan 8.370 nan 0.000 0.438 254 V N 2.415 122.365 119.914 0.061 0.000 2.409 254 V HA 0.473 4.593 4.120 -0.000 0.000 0.290 254 V C -0.094 176.046 176.094 0.077 0.000 1.017 254 V CA -0.605 61.734 62.300 0.066 0.000 0.841 254 V CB 1.587 33.456 31.823 0.077 0.000 1.003 254 V HN 0.377 nan 8.190 nan 0.000 0.426 255 E N 2.310 122.547 120.200 0.062 0.000 2.281 255 E HA 0.699 5.049 4.350 -0.000 0.000 0.262 255 E C 1.096 177.728 176.600 0.052 0.000 0.933 255 E CA -0.203 56.232 56.400 0.059 0.000 0.809 255 E CB 2.005 31.733 29.700 0.046 0.000 1.242 255 E HN 0.744 nan 8.360 nan 0.000 0.418 256 G N 1.661 110.489 108.800 0.047 0.000 2.805 256 G HA2 -0.477 3.483 3.960 -0.000 0.000 0.360 256 G HA3 -0.477 3.483 3.960 -0.000 0.000 0.360 256 G C 1.184 176.101 174.900 0.030 0.000 1.164 256 G CA 1.113 46.233 45.100 0.034 0.000 0.954 256 G HN 0.646 nan 8.290 nan 0.000 0.597 257 E N 1.422 121.637 120.200 0.026 0.000 2.046 257 E HA 0.075 4.425 4.350 -0.000 0.000 0.190 257 E C 3.031 179.648 176.600 0.030 0.000 0.982 257 E CA 1.669 58.082 56.400 0.021 0.000 0.800 257 E CB -0.460 29.249 29.700 0.016 0.000 0.756 257 E HN 0.666 nan 8.360 nan 0.000 0.449 258 A N 1.122 123.965 122.820 0.040 0.000 1.930 258 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 258 A C 2.193 179.825 177.584 0.080 0.000 1.175 258 A CA 1.071 53.139 52.037 0.051 0.000 0.627 258 A CB -0.537 18.492 19.000 0.048 0.000 0.815 258 A HN 0.308 nan 8.150 nan 0.000 0.443 259 L N -0.374 120.905 121.223 0.092 0.000 2.093 259 L HA 0.026 4.366 4.340 -0.000 0.000 0.208 259 L C 2.608 179.534 176.870 0.093 0.000 1.085 259 L CA 1.965 56.889 54.840 0.139 0.000 0.755 259 L CB -0.555 41.590 42.059 0.143 0.000 0.904 259 L HN 0.313 nan 8.230 nan 0.000 0.435 260 A N -1.697 121.148 122.820 0.042 0.000 1.969 260 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 260 A C 2.207 179.779 177.584 -0.020 0.000 1.169 260 A CA 2.110 54.143 52.037 -0.008 0.000 0.635 260 A CB -0.955 18.038 19.000 -0.012 0.000 0.810 260 A HN 0.507 nan 8.150 nan 0.000 0.445 261 T N 0.017 114.578 114.554 0.012 0.000 2.894 261 T HA 0.071 4.421 4.350 -0.000 0.000 0.258 261 T C 1.797 176.517 174.700 0.033 0.000 1.043 261 T CA 1.003 63.110 62.100 0.012 0.000 1.141 261 T CB -0.264 68.616 68.868 0.019 0.000 0.873 261 T HN 0.323 nan 8.240 nan 0.000 0.449 262 L N 0.904 122.178 121.223 0.085 0.000 2.083 262 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 262 L C 2.549 179.513 176.870 0.156 0.000 1.083 262 L CA 0.849 55.789 54.840 0.167 0.000 0.752 262 L CB -0.488 41.729 42.059 0.264 0.000 0.899 262 L HN 0.142 nan 8.230 nan 0.000 0.433 263 V N -1.156 118.752 119.914 -0.011 0.000 2.667 263 V HA -0.172 3.948 4.120 -0.000 0.000 0.252 263 V C 2.210 178.164 176.094 -0.234 0.000 1.065 263 V CA 1.018 63.127 62.300 -0.318 0.000 1.083 263 V CB 0.341 31.942 31.823 -0.371 0.000 0.692 263 V HN 0.185 nan 8.190 nan 0.000 0.468 264 V N 0.076 119.906 119.914 -0.141 0.000 2.379 264 V HA -0.153 3.967 4.120 -0.000 0.000 0.243 264 V C 2.033 178.089 176.094 -0.063 0.000 1.035 264 V CA 1.950 64.178 62.300 -0.120 0.000 1.035 264 V CB -0.710 31.054 31.823 -0.099 0.000 0.673 264 V HN 0.575 nan 8.190 nan 0.000 0.457 265 N N 0.360 119.047 118.700 -0.022 0.000 2.244 265 N HA -0.151 4.589 4.740 -0.000 0.000 0.183 265 N C 1.876 177.401 175.510 0.024 0.000 1.016 265 N CA 1.741 54.795 53.050 0.006 0.000 0.866 265 N CB -0.019 38.483 38.487 0.024 0.000 0.980 265 N HN 0.649 nan 8.380 nan 0.000 0.430 266 T N -1.480 113.102 114.554 0.046 0.000 3.067 266 T HA 0.046 4.396 4.350 -0.000 0.000 0.261 266 T C 1.669 176.391 174.700 0.037 0.000 1.110 266 T CA 0.198 62.344 62.100 0.077 0.000 1.113 266 T CB 0.054 69.032 68.868 0.183 0.000 0.917 266 T HN 0.074 nan 8.240 nan 0.000 0.499 267 M N 0.180 119.773 119.600 -0.011 0.000 2.492 267 M HA 0.238 4.718 4.480 -0.000 0.000 0.262 267 M C 1.995 178.285 176.300 -0.017 0.000 1.090 267 M CA 0.740 56.025 55.300 -0.026 0.000 1.110 267 M CB 0.050 32.606 32.600 -0.074 0.000 1.407 267 M HN 0.141 nan 8.290 nan 0.000 0.470 268 R N -0.968 119.524 120.500 -0.013 0.000 2.334 268 R HA 0.221 4.561 4.340 -0.000 0.000 0.212 268 R C 1.039 177.339 176.300 0.000 0.000 0.897 268 R CA 0.638 56.731 56.100 -0.011 0.000 1.056 268 R CB 0.596 30.887 30.300 -0.015 0.000 1.046 268 R HN 0.546 nan 8.270 nan 0.000 0.513 269 G N 1.396 110.203 108.800 0.011 0.000 2.179 269 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 269 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 269 G C 0.225 175.139 174.900 0.023 0.000 0.990 269 G CA -0.465 44.646 45.100 0.017 0.000 0.646 269 G HN 0.210 nan 8.290 nan 0.000 0.517 270 I N 2.164 122.748 120.570 0.023 0.000 2.268 270 I HA 0.388 4.558 4.170 -0.000 0.000 0.298 270 I C 0.799 176.939 176.117 0.038 0.000 1.185 270 I CA -0.649 60.666 61.300 0.025 0.000 1.548 270 I CB 0.155 38.165 38.000 0.017 0.000 1.492 270 I HN 0.116 nan 8.210 nan 0.000 0.711 271 V N 3.801 123.741 119.914 0.043 0.000 3.683 271 V HA -0.238 3.882 4.120 -0.000 0.000 0.493 271 V C 0.402 176.541 176.094 0.076 0.000 0.682 271 V CA 0.335 62.669 62.300 0.057 0.000 2.008 271 V CB -1.304 30.550 31.823 0.052 0.000 2.427 271 V HN 0.710 nan 8.190 nan 0.000 0.505 272 K N 3.983 124.432 120.400 0.081 0.000 2.395 272 K HA 0.464 4.784 4.320 -0.000 0.000 0.283 272 K C -0.318 176.346 176.600 0.106 0.000 1.068 272 K CA 0.217 56.565 56.287 0.101 0.000 1.039 272 K CB 0.758 33.310 32.500 0.086 0.000 0.924 272 K HN 0.579 nan 8.250 nan 0.000 0.468 273 V N 2.607 122.605 119.914 0.139 0.000 2.482 273 V HA 0.589 4.709 4.120 -0.000 0.000 0.295 273 V C -0.368 175.735 176.094 0.015 0.000 1.026 273 V CA -1.219 61.135 62.300 0.090 0.000 0.856 273 V CB 1.671 33.555 31.823 0.101 0.000 1.001 273 V HN 0.775 nan 8.190 nan 0.000 0.424 274 A N 3.722 126.412 122.820 -0.217 0.000 2.312 274 A HA 0.965 5.285 4.320 -0.000 0.000 0.328 274 A C 0.106 177.284 177.584 -0.676 0.000 1.158 274 A CA -0.224 51.354 52.037 -0.764 0.000 0.821 274 A CB 1.374 20.147 19.000 -0.379 0.000 1.170 274 A HN 1.413 nan 8.150 nan 0.000 0.490 275 A N 1.226 123.444 122.820 -1.003 0.000 2.331 275 A HA 0.706 5.026 4.320 -0.000 0.000 0.320 275 A C -0.273 177.224 177.584 -0.144 0.000 1.138 275 A CA -0.205 51.624 52.037 -0.347 0.000 0.790 275 A CB 0.811 19.733 19.000 -0.130 0.000 1.206 275 A HN 2.128 nan 8.150 nan 0.000 0.470 276 V N -0.171 119.733 119.914 -0.017 0.000 2.962 276 V HA 0.633 4.753 4.120 -0.000 0.000 0.313 276 V C -0.336 175.816 176.094 0.098 0.000 1.099 276 V CA -1.189 61.158 62.300 0.078 0.000 0.971 276 V CB 1.468 33.381 31.823 0.150 0.000 1.028 276 V HN 0.860 nan 8.190 nan 0.000 0.430 277 K N 1.464 121.935 120.400 0.119 0.000 2.138 277 K HA 0.724 5.043 4.320 -0.000 0.000 0.251 277 K C 0.217 176.856 176.600 0.066 0.000 1.015 277 K CA 0.084 56.425 56.287 0.090 0.000 0.917 277 K CB 1.255 33.808 32.500 0.089 0.000 1.021 277 K HN 1.099 nan 8.250 nan 0.000 0.485 278 A N 2.895 125.718 122.820 0.004 0.000 2.366 278 A HA 0.331 4.651 4.320 -0.000 0.000 0.272 278 A C -2.299 175.250 177.584 -0.059 0.000 1.135 278 A CA -1.448 50.537 52.037 -0.086 0.000 0.804 278 A CB -0.035 18.922 19.000 -0.071 0.000 1.064 278 A HN 0.364 nan 8.150 nan 0.000 0.499 279 P HA 0.378 nan 4.420 nan 0.000 0.270 279 P C 0.990 178.303 177.300 0.021 0.000 1.223 279 P CA 1.582 64.666 63.100 -0.026 0.000 0.785 279 P CB 0.554 32.188 31.700 -0.110 0.000 0.923 280 G N 0.902 109.764 108.800 0.103 0.000 2.641 280 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.254 280 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.254 280 G C -0.765 174.290 174.900 0.258 0.000 1.315 280 G CA 0.201 45.401 45.100 0.167 0.000 0.907 280 G HN 0.675 nan 8.290 nan 0.000 0.572 281 F N -2.631 117.331 119.950 0.020 0.000 2.662 281 F HA 0.742 5.269 4.527 -0.000 0.000 0.312 281 F C 1.168 176.979 175.800 0.018 0.000 1.113 281 F CA 0.327 58.339 58.000 0.019 0.000 0.951 281 F CB 0.968 39.985 39.000 0.028 0.000 1.344 281 F HN 2.368 nan 8.300 nan 0.000 0.462 282 G N 1.546 110.373 108.800 0.044 0.000 2.686 282 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.329 282 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.329 282 G C 0.512 175.341 174.900 -0.119 0.000 1.187 282 G CA 1.159 46.228 45.100 -0.052 0.000 0.965 282 G HN 0.813 nan 8.290 nan 0.000 0.549 283 D N 0.627 120.908 120.400 -0.197 0.000 2.269 283 D HA 0.080 4.720 4.640 -0.000 0.000 0.220 283 D C 2.503 178.712 176.300 -0.152 0.000 0.962 283 D CA 1.294 55.210 54.000 -0.140 0.000 0.884 283 D CB -0.261 40.466 40.800 -0.121 0.000 1.023 283 D HN 0.651 nan 8.370 nan 0.000 0.484 284 R N 0.874 121.240 120.500 -0.223 0.000 2.316 284 R HA 0.083 4.423 4.340 -0.000 0.000 0.202 284 R C 1.915 178.129 176.300 -0.145 0.000 1.029 284 R CA 0.662 56.653 56.100 -0.182 0.000 1.018 284 R CB -0.081 30.092 30.300 -0.212 0.000 0.888 284 R HN 0.003 nan 8.270 nan 0.000 0.471 285 R N 1.523 121.938 120.500 -0.142 0.000 2.073 285 R HA -0.039 4.301 4.340 -0.000 0.000 0.229 285 R C 1.285 177.538 176.300 -0.079 0.000 1.120 285 R CA 1.545 57.594 56.100 -0.085 0.000 0.967 285 R CB 0.021 30.299 30.300 -0.038 0.000 0.862 285 R HN 0.284 nan 8.270 nan 0.000 0.436 286 K N -0.071 120.286 120.400 -0.072 0.000 2.211 286 K HA -0.012 4.308 4.320 -0.000 0.000 0.203 286 K C 1.938 178.499 176.600 -0.065 0.000 1.050 286 K CA 1.074 57.325 56.287 -0.060 0.000 0.945 286 K CB 0.025 32.496 32.500 -0.049 0.000 0.732 286 K HN 0.176 nan 8.250 nan 0.000 0.451 287 A N 1.029 123.804 122.820 -0.075 0.000 1.970 287 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 287 A C 2.016 179.555 177.584 -0.074 0.000 1.170 287 A CA 1.017 53.012 52.037 -0.071 0.000 0.645 287 A CB -0.240 18.713 19.000 -0.078 0.000 0.816 287 A HN 0.150 nan 8.150 nan 0.000 0.447 288 M N -0.986 118.561 119.600 -0.088 0.000 2.435 288 M HA 0.127 4.607 4.480 -0.000 0.000 0.265 288 M C 1.895 178.122 176.300 -0.122 0.000 1.104 288 M CA 0.480 55.720 55.300 -0.100 0.000 1.140 288 M CB -0.267 32.265 32.600 -0.112 0.000 1.372 288 M HN 0.337 nan 8.290 nan 0.000 0.456 289 L N 0.278 121.431 121.223 -0.117 0.000 1.990 289 L HA -0.288 4.052 4.340 -0.000 0.000 0.213 289 L C 2.677 179.497 176.870 -0.083 0.000 1.072 289 L CA 1.511 56.283 54.840 -0.113 0.000 0.755 289 L CB -0.582 41.427 42.059 -0.084 0.000 0.889 289 L HN 0.289 nan 8.230 nan 0.000 0.432 290 Q N 0.129 119.891 119.800 -0.065 0.000 2.135 290 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 290 Q C 1.666 177.639 176.000 -0.045 0.000 0.981 290 Q CA 1.852 57.627 55.803 -0.047 0.000 0.856 290 Q CB -0.274 28.439 28.738 -0.041 0.000 0.902 290 Q HN 0.398 nan 8.270 nan 0.000 0.425 291 D N -0.735 119.632 120.400 -0.054 0.000 2.190 291 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 291 D C 1.559 177.835 176.300 -0.039 0.000 0.992 291 D CA 1.267 55.240 54.000 -0.045 0.000 0.854 291 D CB -0.024 40.745 40.800 -0.052 0.000 0.936 291 D HN 0.395 nan 8.370 nan 0.000 0.462 292 I N 0.109 120.645 120.570 -0.057 0.000 2.339 292 I HA -0.080 4.090 4.170 -0.000 0.000 0.245 292 I C 2.406 178.509 176.117 -0.024 0.000 1.096 292 I CA 0.618 61.891 61.300 -0.044 0.000 1.408 292 I CB -0.297 37.651 38.000 -0.085 0.000 1.092 292 I HN -0.084 nan 8.210 nan 0.000 0.423 293 A N 1.029 123.831 122.820 -0.030 0.000 1.948 293 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 293 A C 2.346 179.926 177.584 -0.008 0.000 1.177 293 A CA 2.693 54.721 52.037 -0.015 0.000 0.636 293 A CB -1.129 17.860 19.000 -0.018 0.000 0.815 293 A HN 0.458 nan 8.150 nan 0.000 0.449 294 T N -0.217 114.329 114.554 -0.013 0.000 2.978 294 T HA 0.030 4.380 4.350 -0.000 0.000 0.262 294 T C 1.720 176.417 174.700 -0.005 0.000 1.063 294 T CA 0.838 62.933 62.100 -0.009 0.000 1.140 294 T CB -0.170 68.691 68.868 -0.012 0.000 0.886 294 T HN 0.297 nan 8.240 nan 0.000 0.470 295 L N 2.487 123.707 121.223 -0.005 0.000 2.376 295 L HA -0.006 4.334 4.340 -0.000 0.000 0.219 295 L C 2.032 178.904 176.870 0.003 0.000 1.133 295 L CA 1.883 56.723 54.840 0.001 0.000 0.816 295 L CB -1.109 40.954 42.059 0.006 0.000 0.933 295 L HN 0.476 nan 8.230 nan 0.000 0.449 296 T N -5.144 109.412 114.554 0.004 0.000 2.999 296 T HA 0.288 4.638 4.350 -0.000 0.000 0.247 296 T C 1.321 176.024 174.700 0.007 0.000 1.012 296 T CA 0.609 62.712 62.100 0.005 0.000 1.048 296 T CB 0.497 69.373 68.868 0.012 0.000 1.020 296 T HN 0.361 nan 8.240 nan 0.000 0.478 297 G N 0.779 109.585 108.800 0.009 0.000 2.131 297 G HA2 0.146 4.106 3.960 -0.000 0.000 0.201 297 G HA3 0.146 4.106 3.960 -0.000 0.000 0.201 297 G C 0.314 175.229 174.900 0.025 0.000 1.000 297 G CA -0.181 44.927 45.100 0.014 0.000 0.680 297 G HN 0.984 nan 8.290 nan 0.000 0.514 298 G N -1.299 107.515 108.800 0.023 0.000 2.705 298 G HA2 0.794 4.754 3.960 -0.000 0.000 0.299 298 G HA3 0.794 4.754 3.960 -0.000 0.000 0.299 298 G C -0.389 174.520 174.900 0.015 0.000 1.315 298 G CA 0.226 45.344 45.100 0.029 0.000 1.045 298 G HN 0.678 nan 8.290 nan 0.000 0.517 299 T N -0.395 114.167 114.554 0.013 0.000 2.876 299 T HA 0.443 4.793 4.350 -0.000 0.000 0.289 299 T C -0.403 174.296 174.700 -0.002 0.000 1.014 299 T CA -0.345 61.757 62.100 0.003 0.000 0.986 299 T CB 1.930 70.800 68.868 0.004 0.000 1.021 299 T HN 0.323 nan 8.240 nan 0.000 0.458 300 V N 3.855 123.763 119.914 -0.009 0.000 2.427 300 V HA 0.264 4.384 4.120 -0.000 0.000 0.268 300 V C 0.374 176.461 176.094 -0.011 0.000 1.046 300 V CA -0.382 61.910 62.300 -0.014 0.000 0.970 300 V CB 0.067 31.877 31.823 -0.022 0.000 1.001 300 V HN 0.768 nan 8.190 nan 0.000 0.476 301 I N 5.227 125.792 120.570 -0.008 0.000 2.206 301 I HA 0.161 4.331 4.170 -0.000 0.000 0.292 301 I C 0.836 176.949 176.117 -0.007 0.000 1.156 301 I CA 0.125 61.422 61.300 -0.006 0.000 1.356 301 I CB -0.137 37.860 38.000 -0.004 0.000 1.494 301 I HN 0.660 nan 8.210 nan 0.000 0.601 302 S N 2.139 117.834 115.700 -0.008 0.000 2.586 302 S HA 0.282 4.752 4.470 -0.000 0.000 0.274 302 S C 0.808 175.405 174.600 -0.005 0.000 1.281 302 S CA -0.797 57.399 58.200 -0.007 0.000 1.035 302 S CB 1.714 64.907 63.200 -0.010 0.000 0.962 302 S HN 0.528 nan 8.310 nan 0.000 0.512 303 E N 1.124 121.322 120.200 -0.002 0.000 2.285 303 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 303 E C 1.467 178.066 176.600 -0.001 0.000 0.997 303 E CA 0.699 57.098 56.400 -0.001 0.000 0.845 303 E CB -0.083 29.618 29.700 0.002 0.000 0.782 303 E HN 0.781 nan 8.360 nan 0.000 0.491 304 E N 0.993 121.191 120.200 -0.003 0.000 2.077 304 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 304 E C 1.921 178.518 176.600 -0.004 0.000 0.989 304 E CA 0.983 57.381 56.400 -0.003 0.000 0.800 304 E CB -0.111 29.586 29.700 -0.005 0.000 0.746 304 E HN 0.333 nan 8.360 nan 0.000 0.452 305 I N -0.490 120.077 120.570 -0.005 0.000 3.111 305 I HA 0.032 4.202 4.170 -0.000 0.000 0.272 305 I C 1.582 177.697 176.117 -0.004 0.000 1.268 305 I CA 0.635 61.931 61.300 -0.005 0.000 1.467 305 I CB -0.117 37.879 38.000 -0.007 0.000 1.087 305 I HN 0.278 nan 8.210 nan 0.000 0.467 306 G N 0.902 109.700 108.800 -0.003 0.000 2.176 306 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.232 306 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.232 306 G C 0.360 175.258 174.900 -0.003 0.000 0.986 306 G CA -0.304 44.794 45.100 -0.003 0.000 0.643 306 G HN 0.220 nan 8.290 nan 0.000 0.522 307 M N 0.419 120.017 119.600 -0.003 0.000 2.207 307 M HA 0.535 5.015 4.480 -0.000 0.000 0.311 307 M C 0.698 176.996 176.300 -0.003 0.000 1.127 307 M CA 0.721 56.019 55.300 -0.004 0.000 1.181 307 M CB 0.400 32.997 32.600 -0.005 0.000 1.409 307 M HN 0.301 nan 8.290 nan 0.000 0.461 308 E N -0.016 120.181 120.200 -0.004 0.000 2.410 308 E HA 0.341 4.691 4.350 -0.000 0.000 0.269 308 E C -0.089 176.508 176.600 -0.004 0.000 0.937 308 E CA -0.723 55.675 56.400 -0.003 0.000 0.793 308 E CB 1.782 31.481 29.700 -0.003 0.000 1.314 308 E HN 0.564 nan 8.360 nan 0.000 0.447 309 L N 0.820 122.041 121.223 -0.003 0.000 2.446 309 L HA 0.002 4.342 4.340 -0.000 0.000 0.219 309 L C 1.531 178.397 176.870 -0.008 0.000 1.116 309 L CA 0.730 55.567 54.840 -0.004 0.000 0.844 309 L CB 0.065 42.124 42.059 -0.000 0.000 0.970 309 L HN 0.520 nan 8.230 nan 0.000 0.457 310 E N 0.246 120.442 120.200 -0.007 0.000 2.051 310 E HA -0.097 4.253 4.350 -0.000 0.000 0.189 310 E C 1.307 177.900 176.600 -0.012 0.000 0.979 310 E CA 0.761 57.156 56.400 -0.009 0.000 0.803 310 E CB 0.110 29.806 29.700 -0.006 0.000 0.761 310 E HN 0.109 nan 8.360 nan 0.000 0.451 311 K N 0.802 121.196 120.400 -0.010 0.000 2.630 311 K HA 0.208 4.528 4.320 -0.000 0.000 0.204 311 K C -0.318 176.273 176.600 -0.014 0.000 1.024 311 K CA 0.077 56.357 56.287 -0.011 0.000 1.157 311 K CB 0.155 32.650 32.500 -0.008 0.000 0.899 311 K HN 0.009 nan 8.250 nan 0.000 0.501 312 A N 1.525 124.334 122.820 -0.018 0.000 2.274 312 A HA 0.346 4.666 4.320 -0.000 0.000 0.309 312 A C 0.677 178.240 177.584 -0.035 0.000 1.226 312 A CA -0.547 51.477 52.037 -0.022 0.000 0.853 312 A CB 0.488 19.476 19.000 -0.019 0.000 1.146 312 A HN 0.275 nan 8.150 nan 0.000 0.518 313 T N 0.114 114.647 114.554 -0.036 0.000 2.906 313 T HA 0.500 4.850 4.350 -0.000 0.000 0.283 313 T C 0.948 175.602 174.700 -0.078 0.000 1.098 313 T CA -0.397 61.672 62.100 -0.051 0.000 0.960 313 T CB 0.107 68.955 68.868 -0.034 0.000 1.776 313 T HN 0.272 nan 8.240 nan 0.000 0.594 314 L N -0.049 121.121 121.223 -0.089 0.000 2.529 314 L HA 0.322 4.662 4.340 -0.000 0.000 0.223 314 L C 2.645 179.519 176.870 0.007 0.000 1.113 314 L CA 0.629 55.391 54.840 -0.130 0.000 0.861 314 L CB -0.137 41.809 42.059 -0.188 0.000 1.012 314 L HN 0.782 nan 8.230 nan 0.000 0.461 315 E N -0.119 120.091 120.200 0.017 0.000 2.415 315 E HA -0.104 4.246 4.350 -0.000 0.000 0.197 315 E C 0.678 177.302 176.600 0.040 0.000 1.007 315 E CA 0.224 56.651 56.400 0.045 0.000 0.890 315 E CB 0.455 30.172 29.700 0.028 0.000 0.891 315 E HN 0.366 nan 8.360 nan 0.000 0.496 316 D N 0.377 120.792 120.400 0.024 0.000 2.349 316 D HA 0.028 4.668 4.640 -0.000 0.000 0.224 316 D C -0.320 176.002 176.300 0.037 0.000 1.029 316 D CA 0.282 54.294 54.000 0.021 0.000 0.879 316 D CB 0.329 41.132 40.800 0.006 0.000 0.906 316 D HN 0.116 nan 8.370 nan 0.000 0.528 317 L N 0.657 121.921 121.223 0.067 0.000 2.282 317 L HA 0.432 4.772 4.340 -0.000 0.000 0.288 317 L C 1.091 178.051 176.870 0.150 0.000 1.033 317 L CA -0.533 54.377 54.840 0.116 0.000 0.807 317 L CB 1.693 43.844 42.059 0.153 0.000 1.209 317 L HN -0.157 nan 8.230 nan 0.000 0.423 318 G N 2.210 111.072 108.800 0.102 0.000 2.634 318 G HA2 0.443 4.403 3.960 -0.000 0.000 0.255 318 G HA3 0.443 4.403 3.960 -0.000 0.000 0.255 318 G C -0.914 174.020 174.900 0.056 0.000 1.205 318 G CA -0.186 44.955 45.100 0.067 0.000 0.884 318 G HN 0.575 nan 8.290 nan 0.000 0.549 319 Q N -1.099 118.700 119.800 -0.003 0.000 2.353 319 Q HA 0.575 4.915 4.340 -0.000 0.000 0.275 319 Q C -0.892 175.066 176.000 -0.070 0.000 1.029 319 Q CA -0.759 54.993 55.803 -0.084 0.000 0.848 319 Q CB 2.081 30.713 28.738 -0.177 0.000 1.390 319 Q HN 0.897 nan 8.270 nan 0.000 0.401 320 A N 2.265 125.035 122.820 -0.083 0.000 2.437 320 A HA 0.528 4.848 4.320 -0.000 0.000 0.288 320 A C -0.337 177.204 177.584 -0.071 0.000 1.201 320 A CA -0.550 51.454 52.037 -0.054 0.000 0.795 320 A CB 1.468 20.454 19.000 -0.023 0.000 1.359 320 A HN 0.814 nan 8.150 nan 0.000 0.435 321 K N -0.753 119.618 120.400 -0.048 0.000 2.305 321 K HA 0.120 4.440 4.320 -0.000 0.000 0.199 321 K C 0.448 177.026 176.600 -0.037 0.000 1.047 321 K CA 0.845 57.105 56.287 -0.046 0.000 0.976 321 K CB 0.234 32.715 32.500 -0.032 0.000 0.765 321 K HN 0.540 nan 8.250 nan 0.000 0.474 322 R N -0.303 120.181 120.500 -0.027 0.000 3.197 322 R HA 0.104 4.444 4.340 -0.000 0.000 0.261 322 R C -2.136 174.159 176.300 -0.008 0.000 1.015 322 R CA -0.498 55.592 56.100 -0.016 0.000 0.949 322 R CB 1.259 31.552 30.300 -0.012 0.000 1.256 322 R HN -0.070 nan 8.270 nan 0.000 0.514 323 V N 0.007 119.919 119.914 -0.003 0.000 2.888 323 V HA 0.807 4.927 4.120 -0.000 0.000 0.309 323 V C -1.006 175.087 176.094 -0.003 0.000 1.114 323 V CA -0.820 61.480 62.300 -0.001 0.000 0.940 323 V CB 2.003 33.833 31.823 0.011 0.000 1.021 323 V HN 0.415 nan 8.190 nan 0.000 0.426 324 V N 4.492 124.396 119.914 -0.017 0.000 2.628 324 V HA 0.630 4.750 4.120 -0.000 0.000 0.306 324 V C -0.391 175.685 176.094 -0.029 0.000 1.045 324 V CA -0.426 61.869 62.300 -0.009 0.000 0.905 324 V CB 1.895 33.712 31.823 -0.010 0.000 0.997 324 V HN 0.854 nan 8.190 nan 0.000 0.436 325 I N 4.115 124.697 120.570 0.020 0.000 2.583 325 I HA 0.352 4.522 4.170 -0.000 0.000 0.276 325 I C -0.004 176.164 176.117 0.086 0.000 1.089 325 I CA -0.410 60.905 61.300 0.025 0.000 1.103 325 I CB 1.112 39.169 38.000 0.094 0.000 1.209 325 I HN 0.561 nan 8.210 nan 0.000 0.484 326 N N 4.215 122.882 118.700 -0.055 0.000 2.267 326 N HA 0.071 4.811 4.740 -0.000 0.000 0.266 326 N C 1.243 176.455 175.510 -0.497 0.000 1.295 326 N CA -0.150 52.841 53.050 -0.097 0.000 0.914 326 N CB 0.646 39.079 38.487 -0.091 0.000 1.083 326 N HN 0.476 nan 8.380 nan 0.000 0.507 327 K N -0.016 120.099 120.400 -0.476 0.000 2.211 327 K HA -0.131 4.189 4.320 -0.000 0.000 0.203 327 K C -0.393 175.888 176.600 -0.532 0.000 1.050 327 K CA 1.614 57.454 56.287 -0.745 0.000 0.945 327 K CB 0.073 32.423 32.500 -0.251 0.000 0.732 327 K HN 0.604 nan 8.250 nan 0.000 0.451 328 D N -1.861 118.349 120.400 -0.316 0.000 2.563 328 D HA 0.078 4.718 4.640 -0.000 0.000 0.256 328 D C -0.725 175.477 176.300 -0.163 0.000 1.400 328 D CA -0.358 53.526 54.000 -0.193 0.000 0.800 328 D CB 0.832 41.566 40.800 -0.110 0.000 1.145 328 D HN -0.174 nan 8.370 nan 0.000 0.501 329 T N -0.049 114.378 114.554 -0.212 0.000 2.971 329 T HA 0.586 4.936 4.350 -0.000 0.000 0.304 329 T C -1.072 173.427 174.700 -0.334 0.000 1.038 329 T CA -0.432 61.525 62.100 -0.238 0.000 1.007 329 T CB 2.133 70.911 68.868 -0.150 0.000 1.055 329 T HN -0.159 nan 8.240 nan 0.000 0.451 330 T N 2.457 116.642 114.554 -0.615 0.000 2.864 330 T HA 0.506 4.856 4.350 -0.000 0.000 0.299 330 T C -0.164 174.140 174.700 -0.660 0.000 1.011 330 T CA -0.454 61.255 62.100 -0.652 0.000 0.975 330 T CB 1.353 69.782 68.868 -0.731 0.000 0.962 330 T HN 0.600 nan 8.240 nan 0.000 0.448 331 T N 3.817 118.199 114.554 -0.287 0.000 2.829 331 T HA 0.688 5.038 4.350 -0.000 0.000 0.282 331 T C -0.389 174.282 174.700 -0.048 0.000 0.990 331 T CA -0.681 61.330 62.100 -0.148 0.000 1.028 331 T CB 0.070 68.882 68.868 -0.094 0.000 0.951 331 T HN 0.450 nan 8.240 nan 0.000 0.460 332 I N 6.141 126.722 120.570 0.018 0.000 2.355 332 I HA 0.429 4.599 4.170 -0.000 0.000 0.288 332 I C -0.424 175.707 176.117 0.024 0.000 0.999 332 I CA -0.698 60.630 61.300 0.046 0.000 1.163 332 I CB 1.386 39.449 38.000 0.104 0.000 1.316 332 I HN 0.550 nan 8.210 nan 0.000 0.454 333 I N 5.392 125.967 120.570 0.008 0.000 2.354 333 I HA 0.296 4.466 4.170 -0.000 0.000 0.292 333 I C -0.239 175.876 176.117 -0.003 0.000 0.989 333 I CA -0.467 60.833 61.300 0.000 0.000 1.188 333 I CB 1.162 39.159 38.000 -0.006 0.000 1.342 333 I HN 0.563 nan 8.210 nan 0.000 0.457 334 D N 4.788 125.186 120.400 -0.003 0.000 3.278 334 D HA -0.122 4.518 4.640 -0.000 0.000 0.233 334 D C 0.191 176.485 176.300 -0.011 0.000 1.149 334 D CA 0.977 54.972 54.000 -0.008 0.000 0.957 334 D CB -0.285 40.508 40.800 -0.012 0.000 0.913 334 D HN 0.833 nan 8.370 nan 0.000 0.409 335 G N 0.571 109.368 108.800 -0.005 0.000 2.539 335 G HA2 0.397 4.357 3.960 -0.000 0.000 0.258 335 G HA3 0.397 4.357 3.960 -0.000 0.000 0.258 335 G C 1.418 176.310 174.900 -0.012 0.000 1.202 335 G CA -0.254 44.842 45.100 -0.007 0.000 0.851 335 G HN 0.344 nan 8.290 nan 0.000 0.556 336 V N 1.703 121.607 119.914 -0.017 0.000 2.667 336 V HA 0.036 4.156 4.120 -0.000 0.000 0.252 336 V C 2.216 178.306 176.094 -0.008 0.000 1.065 336 V CA 1.027 63.317 62.300 -0.017 0.000 1.083 336 V CB -1.247 30.561 31.823 -0.023 0.000 0.692 336 V HN 0.855 nan 8.190 nan 0.000 0.468 337 G N 1.466 110.264 108.800 -0.004 0.000 2.257 337 G HA2 0.002 3.962 3.960 -0.000 0.000 0.235 337 G HA3 0.002 3.962 3.960 -0.000 0.000 0.235 337 G C 0.071 174.969 174.900 -0.003 0.000 1.225 337 G CA -0.158 44.941 45.100 -0.001 0.000 0.878 337 G HN 0.363 nan 8.290 nan 0.000 0.505 338 E N 1.612 121.811 120.200 -0.002 0.000 2.404 338 E HA 0.009 4.359 4.350 -0.000 0.000 0.261 338 E C 1.114 177.712 176.600 -0.003 0.000 1.074 338 E CA -0.013 56.385 56.400 -0.002 0.000 0.917 338 E CB 1.029 30.729 29.700 -0.002 0.000 0.965 338 E HN 0.698 nan 8.360 nan 0.000 0.433 339 E N 0.617 120.814 120.200 -0.004 0.000 2.427 339 E HA -0.069 4.281 4.350 -0.000 0.000 0.196 339 E C 1.421 178.019 176.600 -0.004 0.000 1.028 339 E CA 0.551 56.949 56.400 -0.004 0.000 0.864 339 E CB 0.169 29.867 29.700 -0.004 0.000 0.813 339 E HN 0.500 nan 8.360 nan 0.000 0.514 340 A N 0.944 123.762 122.820 -0.004 0.000 2.021 340 A HA 0.145 4.465 4.320 -0.000 0.000 0.216 340 A C 2.208 179.789 177.584 -0.005 0.000 1.163 340 A CA 1.098 53.133 52.037 -0.004 0.000 0.676 340 A CB -0.017 18.981 19.000 -0.004 0.000 0.818 340 A HN 0.255 nan 8.150 nan 0.000 0.453 341 A N -0.225 122.593 122.820 -0.005 0.000 1.943 341 A HA 0.232 4.552 4.320 -0.000 0.000 0.213 341 A C 1.984 179.564 177.584 -0.007 0.000 1.181 341 A CA 0.871 52.905 52.037 -0.005 0.000 0.653 341 A CB -0.342 18.656 19.000 -0.004 0.000 0.833 341 A HN 0.419 nan 8.150 nan 0.000 0.451 342 I N -0.957 119.609 120.570 -0.006 0.000 2.141 342 I HA -0.181 3.989 4.170 -0.000 0.000 0.236 342 I C 2.427 178.540 176.117 -0.007 0.000 1.071 342 I CA 1.423 62.719 61.300 -0.006 0.000 1.345 342 I CB -0.429 37.569 38.000 -0.004 0.000 1.066 342 I HN 0.267 nan 8.210 nan 0.000 0.406 343 Q N 1.507 121.303 119.800 -0.007 0.000 2.576 343 Q HA -0.099 4.241 4.340 -0.000 0.000 0.218 343 Q C 1.596 177.591 176.000 -0.008 0.000 0.983 343 Q CA 1.301 57.100 55.803 -0.007 0.000 0.920 343 Q CB -0.387 28.347 28.738 -0.006 0.000 0.973 343 Q HN 0.544 nan 8.270 nan 0.000 0.528 344 G N -0.860 107.935 108.800 -0.009 0.000 2.559 344 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.209 344 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.209 344 G C 1.465 176.358 174.900 -0.012 0.000 1.151 344 G CA 0.130 45.224 45.100 -0.010 0.000 0.824 344 G HN 0.258 nan 8.290 nan 0.000 0.543 345 R N 0.339 120.831 120.500 -0.013 0.000 2.236 345 R HA 0.148 4.488 4.340 -0.000 0.000 0.208 345 R C 2.272 178.561 176.300 -0.018 0.000 1.036 345 R CA 0.659 56.749 56.100 -0.017 0.000 1.001 345 R CB -0.514 29.775 30.300 -0.018 0.000 0.896 345 R HN 0.214 nan 8.270 nan 0.000 0.464 346 V N -0.081 119.824 119.914 -0.015 0.000 2.453 346 V HA -0.056 4.064 4.120 -0.000 0.000 0.247 346 V C 2.003 178.087 176.094 -0.016 0.000 1.048 346 V CA 1.772 64.063 62.300 -0.015 0.000 1.049 346 V CB -0.235 31.581 31.823 -0.011 0.000 0.672 346 V HN 0.467 nan 8.190 nan 0.000 0.457 347 A N -1.351 121.460 122.820 -0.014 0.000 2.132 347 A HA -0.057 4.263 4.320 -0.000 0.000 0.213 347 A C 2.095 179.669 177.584 -0.016 0.000 1.154 347 A CA 0.556 52.585 52.037 -0.014 0.000 0.753 347 A CB -0.167 18.826 19.000 -0.011 0.000 0.826 347 A HN 0.565 nan 8.150 nan 0.000 0.469 348 Q N -0.126 119.663 119.800 -0.017 0.000 2.050 348 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 348 Q C 1.808 177.794 176.000 -0.023 0.000 0.980 348 Q CA 1.696 57.488 55.803 -0.019 0.000 0.840 348 Q CB -0.317 28.408 28.738 -0.021 0.000 0.898 348 Q HN 0.761 nan 8.270 nan 0.000 0.424 349 I N -0.005 120.550 120.570 -0.026 0.000 2.617 349 I HA -0.161 4.009 4.170 -0.000 0.000 0.256 349 I C 2.454 178.553 176.117 -0.029 0.000 1.167 349 I CA 0.653 61.934 61.300 -0.032 0.000 1.469 349 I CB -0.216 37.763 38.000 -0.035 0.000 1.098 349 I HN 0.085 nan 8.210 nan 0.000 0.436 350 R N 1.054 121.540 120.500 -0.024 0.000 2.189 350 R HA -0.126 4.214 4.340 -0.000 0.000 0.218 350 R C 2.251 178.539 176.300 -0.019 0.000 1.074 350 R CA 0.948 57.035 56.100 -0.021 0.000 0.991 350 R CB 0.004 30.294 30.300 -0.017 0.000 0.883 350 R HN 0.402 nan 8.270 nan 0.000 0.457 351 Q N -0.109 119.680 119.800 -0.019 0.000 2.339 351 Q HA -0.054 4.286 4.340 -0.000 0.000 0.205 351 Q C 1.225 177.214 176.000 -0.019 0.000 0.925 351 Q CA 0.605 56.397 55.803 -0.017 0.000 0.898 351 Q CB 0.433 29.162 28.738 -0.015 0.000 1.013 351 Q HN 0.454 nan 8.270 nan 0.000 0.504 352 Q N 0.076 119.862 119.800 -0.024 0.000 2.482 352 Q HA 0.037 4.377 4.340 -0.000 0.000 0.209 352 Q C 1.641 177.623 176.000 -0.030 0.000 0.961 352 Q CA 0.314 56.100 55.803 -0.027 0.000 0.945 352 Q CB 0.269 28.987 28.738 -0.034 0.000 1.012 352 Q HN 0.442 nan 8.270 nan 0.000 0.515 353 I N 0.626 121.179 120.570 -0.028 0.000 2.617 353 I HA -0.175 3.995 4.170 -0.000 0.000 0.256 353 I C 1.700 177.805 176.117 -0.020 0.000 1.167 353 I CA 0.718 62.002 61.300 -0.028 0.000 1.469 353 I CB 0.047 38.032 38.000 -0.025 0.000 1.098 353 I HN 0.158 nan 8.210 nan 0.000 0.436 354 E N 0.867 121.057 120.200 -0.017 0.000 2.250 354 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 354 E C 1.407 178.001 176.600 -0.011 0.000 0.986 354 E CA 0.678 57.071 56.400 -0.012 0.000 0.849 354 E CB -0.048 29.646 29.700 -0.011 0.000 0.797 354 E HN 0.568 nan 8.360 nan 0.000 0.482 355 E N 0.998 121.190 120.200 -0.013 0.000 2.474 355 E HA 0.194 4.544 4.350 -0.000 0.000 0.194 355 E C 0.325 176.918 176.600 -0.011 0.000 1.041 355 E CA -0.120 56.273 56.400 -0.011 0.000 0.874 355 E CB 0.512 30.204 29.700 -0.013 0.000 0.914 355 E HN 0.046 nan 8.360 nan 0.000 0.498 356 A N 1.496 124.307 122.820 -0.015 0.000 2.488 356 A HA 0.097 4.417 4.320 -0.000 0.000 0.249 356 A C 1.158 178.740 177.584 -0.003 0.000 1.083 356 A CA 0.096 52.125 52.037 -0.014 0.000 0.768 356 A CB 0.051 19.036 19.000 -0.025 0.000 1.017 356 A HN 0.205 nan 8.150 nan 0.000 0.496 357 T N -0.748 113.809 114.554 0.005 0.000 3.069 357 T HA 0.358 4.708 4.350 -0.000 0.000 0.252 357 T C 0.491 175.205 174.700 0.025 0.000 1.053 357 T CA 0.454 62.561 62.100 0.013 0.000 0.964 357 T CB -0.109 68.767 68.868 0.012 0.000 1.005 357 T HN 0.648 nan 8.240 nan 0.000 0.532 358 S N -0.176 115.544 115.700 0.033 0.000 2.541 358 S HA 0.373 4.843 4.470 -0.000 0.000 0.280 358 S C 0.025 174.662 174.600 0.061 0.000 1.112 358 S CA -0.612 57.624 58.200 0.060 0.000 0.925 358 S CB 1.618 64.877 63.200 0.100 0.000 1.067 358 S HN 0.075 nan 8.310 nan 0.000 0.479 359 D N 1.710 122.155 120.400 0.074 0.000 2.218 359 D HA -0.082 4.558 4.640 -0.000 0.000 0.204 359 D C 1.154 177.514 176.300 0.099 0.000 0.976 359 D CA 1.239 55.280 54.000 0.068 0.000 0.853 359 D CB -0.041 40.799 40.800 0.066 0.000 0.939 359 D HN 0.690 nan 8.370 nan 0.000 0.481 360 Y N 1.929 122.233 120.300 0.007 0.000 2.153 360 Y HA -0.144 4.406 4.550 -0.000 0.000 0.289 360 Y C 1.611 177.514 175.900 0.004 0.000 1.119 360 Y CA 1.568 59.674 58.100 0.010 0.000 1.116 360 Y CB -0.418 38.052 38.460 0.016 0.000 1.004 360 Y HN -0.210 nan 8.280 nan 0.000 0.501 361 D N 0.137 120.446 120.400 -0.151 0.000 2.157 361 D HA -0.254 4.386 4.640 -0.000 0.000 0.191 361 D C 2.206 178.384 176.300 -0.203 0.000 1.004 361 D CA 2.028 55.895 54.000 -0.222 0.000 0.854 361 D CB -0.340 40.428 40.800 -0.054 0.000 0.936 361 D HN 0.289 nan 8.370 nan 0.000 0.446 362 R N 0.127 120.559 120.500 -0.113 0.000 2.148 362 R HA -0.068 4.272 4.340 -0.000 0.000 0.227 362 R C 1.716 177.961 176.300 -0.091 0.000 1.103 362 R CA 0.956 57.008 56.100 -0.080 0.000 0.983 362 R CB 0.119 30.396 30.300 -0.037 0.000 0.874 362 R HN 0.275 nan 8.270 nan 0.000 0.451 363 E N -0.523 119.608 120.200 -0.116 0.000 2.170 363 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 363 E C 1.728 178.251 176.600 -0.129 0.000 0.981 363 E CA 0.466 56.812 56.400 -0.090 0.000 0.830 363 E CB 0.322 29.996 29.700 -0.044 0.000 0.775 363 E HN 0.004 nan 8.360 nan 0.000 0.470 364 K N 0.621 120.873 120.400 -0.247 0.000 2.062 364 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 364 K C 2.056 178.567 176.600 -0.149 0.000 1.051 364 K CA 0.840 56.985 56.287 -0.237 0.000 0.941 364 K CB -0.251 32.003 32.500 -0.410 0.000 0.719 364 K HN 0.189 nan 8.250 nan 0.000 0.440 365 L N 0.687 121.824 121.223 -0.142 0.000 2.201 365 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 365 L C 2.211 179.042 176.870 -0.065 0.000 1.105 365 L CA 1.042 55.825 54.840 -0.094 0.000 0.775 365 L CB -0.286 41.722 42.059 -0.086 0.000 0.913 365 L HN 0.174 nan 8.230 nan 0.000 0.440 366 Q N -0.426 119.338 119.800 -0.061 0.000 2.389 366 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 366 Q C 1.890 177.872 176.000 -0.031 0.000 0.944 366 Q CA 0.522 56.301 55.803 -0.039 0.000 0.908 366 Q CB 0.203 28.922 28.738 -0.032 0.000 1.002 366 Q HN 0.504 nan 8.270 nan 0.000 0.493 367 E N 0.756 120.934 120.200 -0.037 0.000 2.015 367 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 367 E C 1.969 178.560 176.600 -0.016 0.000 0.991 367 E CA 0.705 57.092 56.400 -0.021 0.000 0.802 367 E CB 0.015 29.703 29.700 -0.021 0.000 0.759 367 E HN 0.238 nan 8.360 nan 0.000 0.447 368 R N 0.517 121.000 120.500 -0.028 0.000 2.112 368 R HA -0.189 4.151 4.340 -0.000 0.000 0.242 368 R C 2.700 178.989 176.300 -0.018 0.000 1.137 368 R CA 2.054 58.139 56.100 -0.025 0.000 0.944 368 R CB -0.996 29.279 30.300 -0.041 0.000 0.857 368 R HN 0.249 nan 8.270 nan 0.000 0.435 369 V N -1.633 118.268 119.914 -0.022 0.000 2.490 369 V HA -0.099 4.021 4.120 -0.000 0.000 0.250 369 V C 2.377 178.465 176.094 -0.010 0.000 1.061 369 V CA 1.691 63.981 62.300 -0.017 0.000 1.064 369 V CB -1.081 30.730 31.823 -0.020 0.000 0.670 369 V HN 0.291 nan 8.190 nan 0.000 0.461 370 A N 0.867 123.681 122.820 -0.010 0.000 1.908 370 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 370 A C 2.345 179.929 177.584 0.000 0.000 1.181 370 A CA 2.439 54.473 52.037 -0.005 0.000 0.627 370 A CB -0.564 18.433 19.000 -0.004 0.000 0.818 370 A HN 0.643 nan 8.150 nan 0.000 0.445 371 K N -1.210 119.193 120.400 0.005 0.000 2.116 371 K HA 0.059 4.379 4.320 -0.000 0.000 0.203 371 K C 1.731 178.339 176.600 0.014 0.000 1.052 371 K CA 1.026 57.322 56.287 0.016 0.000 0.952 371 K CB -0.211 32.307 32.500 0.031 0.000 0.729 371 K HN 0.313 nan 8.250 nan 0.000 0.446 372 L N 0.231 121.458 121.223 0.006 0.000 2.095 372 L HA -0.014 4.326 4.340 -0.000 0.000 0.204 372 L C 2.176 179.047 176.870 0.001 0.000 1.080 372 L CA 1.455 56.298 54.840 0.004 0.000 0.759 372 L CB -0.377 41.680 42.059 -0.003 0.000 0.914 372 L HN 0.102 nan 8.230 nan 0.000 0.439 373 A N -1.126 121.693 122.820 -0.002 0.000 2.095 373 A HA 0.209 4.529 4.320 -0.000 0.000 0.212 373 A C 2.284 179.866 177.584 -0.003 0.000 1.162 373 A CA 0.838 52.873 52.037 -0.003 0.000 0.753 373 A CB -0.869 18.128 19.000 -0.006 0.000 0.840 373 A HN 0.374 nan 8.150 nan 0.000 0.468 374 G N -0.575 108.224 108.800 -0.002 0.000 2.394 374 G HA2 0.332 4.292 3.960 -0.000 0.000 0.215 374 G HA3 0.332 4.292 3.960 -0.000 0.000 0.215 374 G C 1.244 176.143 174.900 -0.001 0.000 1.165 374 G CA 0.969 46.068 45.100 -0.002 0.000 0.784 374 G HN 1.630 nan 8.290 nan 0.000 0.535 375 G N -1.605 107.196 108.800 0.002 0.000 2.496 375 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.243 375 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.243 375 G C -0.597 174.304 174.900 0.002 0.000 1.176 375 G CA -0.005 45.096 45.100 0.003 0.000 0.940 375 G HN 1.188 nan 8.290 nan 0.000 0.573 376 V N 0.598 120.512 119.914 -0.001 0.000 2.697 376 V HA 0.688 4.808 4.120 -0.000 0.000 0.300 376 V C 0.537 176.627 176.094 -0.007 0.000 1.115 376 V CA 0.010 62.308 62.300 -0.004 0.000 0.912 376 V CB 1.174 32.996 31.823 -0.002 0.000 1.024 376 V HN 2.179 nan 8.190 nan 0.000 0.431 377 A N 4.347 127.161 122.820 -0.010 0.000 2.340 377 A HA 0.835 5.155 4.320 -0.000 0.000 0.268 377 A C -0.557 177.021 177.584 -0.010 0.000 1.100 377 A CA -0.351 51.681 52.037 -0.010 0.000 0.803 377 A CB 1.098 20.091 19.000 -0.011 0.000 1.043 377 A HN 0.884 nan 8.150 nan 0.000 0.488 378 V N 3.634 123.543 119.914 -0.008 0.000 2.524 378 V HA 0.286 4.406 4.120 -0.000 0.000 0.297 378 V C -0.549 175.541 176.094 -0.006 0.000 1.035 378 V CA -0.096 62.199 62.300 -0.007 0.000 0.867 378 V CB 1.381 33.199 31.823 -0.007 0.000 1.004 378 V HN 0.742 nan 8.190 nan 0.000 0.426 379 I N 4.843 125.409 120.570 -0.005 0.000 2.331 379 I HA 0.435 4.605 4.170 -0.000 0.000 0.292 379 I C 0.109 176.224 176.117 -0.003 0.000 0.998 379 I CA -0.422 60.876 61.300 -0.004 0.000 1.267 379 I CB 1.112 39.110 38.000 -0.003 0.000 1.386 379 I HN 0.455 nan 8.210 nan 0.000 0.476 380 K N 5.989 126.387 120.400 -0.003 0.000 2.339 380 K HA 0.494 4.814 4.320 -0.000 0.000 0.264 380 K C -1.005 175.594 176.600 -0.002 0.000 0.986 380 K CA -0.660 55.626 56.287 -0.002 0.000 0.866 380 K CB 2.140 34.639 32.500 -0.003 0.000 1.103 380 K HN 0.320 nan 8.250 nan 0.000 0.441 381 V N 2.360 122.274 119.914 -0.001 0.000 2.432 381 V HA 0.366 4.486 4.120 -0.000 0.000 0.271 381 V C 0.647 176.740 176.094 -0.001 0.000 1.046 381 V CA -0.648 61.652 62.300 -0.000 0.000 0.945 381 V CB 1.222 33.046 31.823 0.001 0.000 0.992 381 V HN 0.901 nan 8.190 nan 0.000 0.471 382 G N 2.705 111.504 108.800 -0.001 0.000 2.461 382 G HA2 0.640 4.600 3.960 -0.000 0.000 0.323 382 G HA3 0.640 4.600 3.960 -0.000 0.000 0.323 382 G C 0.099 174.999 174.900 -0.001 0.000 1.229 382 G CA 0.094 45.193 45.100 -0.001 0.000 0.941 382 G HN 1.042 nan 8.290 nan 0.000 0.477 383 A N 0.786 123.605 122.820 -0.001 0.000 2.733 383 A HA 0.806 5.126 4.320 -0.000 0.000 0.232 383 A C 0.851 178.434 177.584 -0.001 0.000 1.251 383 A CA 1.082 53.118 52.037 -0.001 0.000 1.015 383 A CB -0.467 18.532 19.000 -0.001 0.000 1.291 383 A HN 2.757 nan 8.150 nan 0.000 0.595 384 A N -0.269 122.551 122.820 -0.001 0.000 2.435 384 A HA 0.448 4.768 4.320 -0.000 0.000 0.686 384 A C 0.984 178.567 177.584 -0.001 0.000 0.138 384 A CA 0.757 52.793 52.037 -0.001 0.000 0.025 384 A CB -2.511 16.488 19.000 -0.002 0.000 3.974 384 A HN 3.058 nan 8.150 nan 0.000 0.548 385 T N -0.711 113.842 114.554 -0.001 0.000 0.541 385 T HA -0.186 4.164 4.350 -0.000 0.000 0.774 385 T C 0.544 175.244 174.700 -0.001 0.000 0.992 385 T CA 1.950 64.049 62.100 -0.001 0.000 4.077 385 T CB -0.538 68.329 68.868 -0.001 0.000 2.303 385 T HN 2.048 nan 8.240 nan 0.000 0.398 386 E N 1.135 121.334 120.200 -0.001 0.000 2.150 386 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 386 E C 2.136 178.735 176.600 -0.001 0.000 0.985 386 E CA 1.550 57.950 56.400 -0.001 0.000 0.814 386 E CB -0.093 29.606 29.700 -0.001 0.000 0.752 386 E HN 0.658 nan 8.360 nan 0.000 0.466 387 V N 1.376 121.289 119.914 -0.001 0.000 2.295 387 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 387 V C 1.979 178.073 176.094 -0.001 0.000 1.049 387 V CA 2.167 64.466 62.300 -0.001 0.000 1.024 387 V CB -0.524 31.298 31.823 -0.001 0.000 0.648 387 V HN 0.277 nan 8.190 nan 0.000 0.447 388 E N -0.550 119.649 120.200 -0.001 0.000 2.268 388 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 388 E C 2.112 178.711 176.600 -0.001 0.000 0.995 388 E CA 0.857 57.257 56.400 -0.001 0.000 0.836 388 E CB -0.160 29.539 29.700 -0.001 0.000 0.763 388 E HN 0.462 nan 8.360 nan 0.000 0.491 389 M N 1.163 120.763 119.600 -0.001 0.000 2.062 389 M HA -0.154 4.326 4.480 -0.000 0.000 0.259 389 M C 1.834 178.135 176.300 0.000 0.000 1.076 389 M CA 1.584 56.884 55.300 -0.000 0.000 1.122 389 M CB -0.128 32.471 32.600 -0.001 0.000 1.312 389 M HN -0.127 nan 8.290 nan 0.000 0.412 390 K N 0.159 120.559 120.400 0.000 0.000 2.147 390 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 390 K C 1.910 178.510 176.600 0.001 0.000 1.049 390 K CA 0.895 57.182 56.287 0.001 0.000 0.936 390 K CB -0.466 32.034 32.500 0.000 0.000 0.722 390 K HN 0.467 nan 8.250 nan 0.000 0.446 391 E N 1.563 121.763 120.200 0.000 0.000 2.017 391 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 391 E C 1.934 178.534 176.600 0.001 0.000 0.997 391 E CA 1.257 57.657 56.400 -0.000 0.000 0.804 391 E CB 0.055 29.754 29.700 -0.001 0.000 0.757 391 E HN 0.141 nan 8.360 nan 0.000 0.448 392 K N 0.798 121.198 120.400 0.001 0.000 2.211 392 K HA -0.182 4.138 4.320 -0.000 0.000 0.204 392 K C 2.280 178.881 176.600 0.003 0.000 1.047 392 K CA 1.491 57.779 56.287 0.001 0.000 0.935 392 K CB -0.055 32.445 32.500 0.000 0.000 0.728 392 K HN -0.052 nan 8.250 nan 0.000 0.452 393 K N -0.129 120.273 120.400 0.003 0.000 2.103 393 K HA -0.064 4.256 4.320 -0.000 0.000 0.204 393 K C 1.879 178.484 176.600 0.007 0.000 1.052 393 K CA 1.067 57.357 56.287 0.005 0.000 0.945 393 K CB -0.074 32.428 32.500 0.004 0.000 0.722 393 K HN 0.153 nan 8.250 nan 0.000 0.443 394 A N 1.546 124.369 122.820 0.006 0.000 1.969 394 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 394 A C 2.052 179.641 177.584 0.008 0.000 1.169 394 A CA 0.958 52.998 52.037 0.006 0.000 0.635 394 A CB -0.336 18.665 19.000 0.002 0.000 0.810 394 A HN 0.298 nan 8.150 nan 0.000 0.445 395 R N -0.667 119.837 120.500 0.007 0.000 2.092 395 R HA -0.049 4.291 4.340 -0.000 0.000 0.231 395 R C 2.008 178.316 176.300 0.013 0.000 1.119 395 R CA 1.337 57.441 56.100 0.008 0.000 0.970 395 R CB -0.416 29.887 30.300 0.004 0.000 0.864 395 R HN 0.413 nan 8.270 nan 0.000 0.440 396 V N 1.254 121.175 119.914 0.013 0.000 2.307 396 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 396 V C 1.984 178.094 176.094 0.027 0.000 1.045 396 V CA 1.773 64.082 62.300 0.015 0.000 1.024 396 V CB -0.456 31.373 31.823 0.010 0.000 0.651 396 V HN 0.334 nan 8.190 nan 0.000 0.449 397 E N 0.013 120.231 120.200 0.031 0.000 2.130 397 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 397 E C 1.927 178.577 176.600 0.082 0.000 0.998 397 E CA 1.638 58.070 56.400 0.054 0.000 0.806 397 E CB -0.162 29.563 29.700 0.042 0.000 0.738 397 E HN 0.648 nan 8.360 nan 0.000 0.459 398 D N 0.226 120.658 120.400 0.053 0.000 2.085 398 D HA -0.080 4.560 4.640 -0.000 0.000 0.199 398 D C 2.001 178.342 176.300 0.067 0.000 0.981 398 D CA 1.230 55.263 54.000 0.056 0.000 0.834 398 D CB -0.448 40.365 40.800 0.022 0.000 0.992 398 D HN 0.127 nan 8.370 nan 0.000 0.457 399 A N 1.022 123.866 122.820 0.040 0.000 1.958 399 A HA -0.198 4.122 4.320 -0.000 0.000 0.221 399 A C 2.206 179.811 177.584 0.034 0.000 1.178 399 A CA 1.336 53.392 52.037 0.031 0.000 0.642 399 A CB -0.760 18.251 19.000 0.017 0.000 0.816 399 A HN 0.248 nan 8.150 nan 0.000 0.453 400 L N -1.874 119.371 121.223 0.037 0.000 2.179 400 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 400 L C 2.309 179.177 176.870 -0.004 0.000 1.096 400 L CA 1.898 56.745 54.840 0.012 0.000 0.779 400 L CB -0.503 41.559 42.059 0.006 0.000 0.922 400 L HN 0.535 nan 8.230 nan 0.000 0.443 401 H N -0.757 118.311 119.070 -0.004 0.000 2.403 401 H HA 0.071 4.627 4.556 -0.000 0.000 0.298 401 H C 2.021 177.348 175.328 -0.001 0.000 1.059 401 H CA 1.140 57.186 56.048 -0.004 0.000 1.363 401 H CB 0.284 30.043 29.762 -0.004 0.000 1.410 401 H HN 0.469 nan 8.280 nan 0.000 0.528 402 A N 0.240 123.136 122.820 0.127 0.000 1.835 402 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 402 A C 2.526 180.133 177.584 0.038 0.000 1.199 402 A CA 2.445 54.526 52.037 0.074 0.000 0.615 402 A CB -1.161 17.869 19.000 0.050 0.000 0.838 402 A HN 0.450 nan 8.150 nan 0.000 0.444 403 T N -0.389 114.177 114.554 0.020 0.000 2.946 403 T HA -0.119 4.231 4.350 -0.000 0.000 0.271 403 T C 1.960 176.655 174.700 -0.009 0.000 1.104 403 T CA 1.190 63.293 62.100 0.004 0.000 1.114 403 T CB -0.236 68.632 68.868 -0.001 0.000 0.867 403 T HN 0.262 nan 8.240 nan 0.000 0.513 404 R N 1.277 121.763 120.500 -0.023 0.000 2.090 404 R HA 0.188 4.528 4.340 -0.000 0.000 0.228 404 R C 2.490 178.775 176.300 -0.025 0.000 1.110 404 R CA 1.363 57.430 56.100 -0.055 0.000 0.973 404 R CB -0.839 29.370 30.300 -0.151 0.000 0.869 404 R HN 0.460 nan 8.270 nan 0.000 0.440 405 A N -0.106 122.719 122.820 0.008 0.000 1.970 405 A HA 0.106 4.426 4.320 -0.000 0.000 0.216 405 A C 2.163 179.756 177.584 0.015 0.000 1.170 405 A CA 1.219 53.270 52.037 0.023 0.000 0.645 405 A CB -0.300 18.729 19.000 0.048 0.000 0.816 405 A HN 0.320 nan 8.150 nan 0.000 0.447 406 A N -0.619 122.208 122.820 0.012 0.000 2.014 406 A HA 0.144 4.464 4.320 -0.000 0.000 0.218 406 A C 1.983 179.570 177.584 0.004 0.000 1.163 406 A CA 1.479 53.522 52.037 0.009 0.000 0.652 406 A CB -0.431 18.575 19.000 0.009 0.000 0.808 406 A HN 0.325 nan 8.150 nan 0.000 0.449 407 V N -0.264 119.649 119.914 -0.001 0.000 2.788 407 V HA -0.126 3.994 4.120 -0.000 0.000 0.251 407 V C 2.195 178.288 176.094 -0.002 0.000 1.068 407 V CA 1.673 63.971 62.300 -0.003 0.000 1.090 407 V CB -0.461 31.357 31.823 -0.009 0.000 0.710 407 V HN 0.593 nan 8.190 nan 0.000 0.467 408 E N 0.119 120.318 120.200 -0.001 0.000 2.033 408 E HA -0.130 4.220 4.350 -0.000 0.000 0.189 408 E C 1.900 178.503 176.600 0.004 0.000 0.979 408 E CA 1.277 57.678 56.400 0.001 0.000 0.802 408 E CB 0.092 29.793 29.700 0.002 0.000 0.763 408 E HN 0.629 nan 8.360 nan 0.000 0.449 409 E N -0.952 119.252 120.200 0.007 0.000 2.485 409 E HA 0.208 4.558 4.350 -0.000 0.000 0.213 409 E C 0.461 177.065 176.600 0.008 0.000 0.923 409 E CA 0.227 56.632 56.400 0.007 0.000 1.054 409 E CB 1.674 31.380 29.700 0.009 0.000 1.077 409 E HN 0.214 nan 8.360 nan 0.000 0.509 410 G N 1.019 109.824 108.800 0.008 0.000 2.447 410 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.220 410 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.220 410 G C -0.769 174.137 174.900 0.010 0.000 1.261 410 G CA -0.547 44.558 45.100 0.008 0.000 1.000 410 G HN 0.417 nan 8.290 nan 0.000 0.515 411 V N -2.400 117.520 119.914 0.011 0.000 2.962 411 V HA 0.980 5.100 4.120 -0.000 0.000 0.313 411 V C 0.546 176.647 176.094 0.013 0.000 1.099 411 V CA -0.020 62.287 62.300 0.012 0.000 0.971 411 V CB 1.118 32.947 31.823 0.010 0.000 1.028 411 V HN 2.371 nan 8.190 nan 0.000 0.430 412 V N -0.544 119.378 119.914 0.013 0.000 3.158 412 V HA 1.037 5.157 4.120 -0.000 0.000 0.311 412 V C 0.435 176.537 176.094 0.013 0.000 1.181 412 V CA -0.669 61.640 62.300 0.016 0.000 1.054 412 V CB 1.291 33.124 31.823 0.017 0.000 1.085 412 V HN 1.847 nan 8.190 nan 0.000 0.446 413 A N 0.244 123.073 122.820 0.015 0.000 2.425 413 A HA 0.772 5.092 4.320 -0.000 0.000 0.249 413 A C 0.619 178.206 177.584 0.005 0.000 1.084 413 A CA 0.454 52.496 52.037 0.009 0.000 0.781 413 A CB -0.022 18.986 19.000 0.013 0.000 1.019 413 A HN 1.887 nan 8.150 nan 0.000 0.490 414 G N -0.509 108.288 108.800 -0.005 0.000 2.557 414 G HA2 0.554 4.514 3.960 -0.000 0.000 0.302 414 G HA3 0.554 4.514 3.960 -0.000 0.000 0.302 414 G C 0.920 175.815 174.900 -0.009 0.000 1.311 414 G CA -0.145 44.952 45.100 -0.006 0.000 1.030 414 G HN 2.212 nan 8.290 nan 0.000 0.509 415 G N -1.907 106.889 108.800 -0.006 0.000 2.198 415 G HA2 0.213 4.173 3.960 -0.000 0.000 0.260 415 G HA3 0.213 4.173 3.960 -0.000 0.000 0.260 415 G C 1.457 176.366 174.900 0.015 0.000 1.025 415 G CA 1.035 46.135 45.100 0.001 0.000 0.769 415 G HN 2.474 nan 8.290 nan 0.000 0.507 416 G N -2.019 106.789 108.800 0.013 0.000 2.212 416 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.267 416 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.267 416 G C 1.835 176.748 174.900 0.023 0.000 1.002 416 G CA 2.096 47.207 45.100 0.018 0.000 0.729 416 G HN 2.275 nan 8.290 nan 0.000 0.517 417 V N -3.002 116.926 119.914 0.023 0.000 2.871 417 V HA 0.363 4.483 4.120 -0.000 0.000 0.256 417 V C 2.764 178.877 176.094 0.032 0.000 1.082 417 V CA 1.682 64.000 62.300 0.029 0.000 1.105 417 V CB -0.689 31.147 31.823 0.022 0.000 0.713 417 V HN 1.219 nan 8.190 nan 0.000 0.473 418 A N 1.231 124.067 122.820 0.026 0.000 1.908 418 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 418 A C 2.215 179.815 177.584 0.027 0.000 1.181 418 A CA 2.388 54.441 52.037 0.027 0.000 0.627 418 A CB -0.713 18.300 19.000 0.021 0.000 0.818 418 A HN 0.601 nan 8.150 nan 0.000 0.445 419 L N -1.057 120.181 121.223 0.025 0.000 2.056 419 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 419 L C 2.522 179.408 176.870 0.026 0.000 1.078 419 L CA 1.342 56.196 54.840 0.023 0.000 0.749 419 L CB -0.414 41.658 42.059 0.022 0.000 0.901 419 L HN 0.490 nan 8.230 nan 0.000 0.433 420 I N -0.285 120.304 120.570 0.031 0.000 2.202 420 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 420 I C 2.875 179.016 176.117 0.040 0.000 1.091 420 I CA 1.063 62.384 61.300 0.035 0.000 1.368 420 I CB 0.016 38.039 38.000 0.040 0.000 1.058 420 I HN 0.183 nan 8.210 nan 0.000 0.410 421 R N 0.553 121.082 120.500 0.047 0.000 2.094 421 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 421 R C 2.004 178.327 176.300 0.039 0.000 1.137 421 R CA 2.407 58.539 56.100 0.053 0.000 0.943 421 R CB -1.190 29.146 30.300 0.060 0.000 0.850 421 R HN 0.311 nan 8.270 nan 0.000 0.433 422 V N 0.919 120.852 119.914 0.032 0.000 2.343 422 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 422 V C 2.397 178.504 176.094 0.021 0.000 1.051 422 V CA 1.943 64.257 62.300 0.024 0.000 1.036 422 V CB -1.051 30.784 31.823 0.019 0.000 0.654 422 V HN 0.578 nan 8.190 nan 0.000 0.451 423 A N 0.892 123.725 122.820 0.022 0.000 1.873 423 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 423 A C 2.585 180.180 177.584 0.019 0.000 1.193 423 A CA 2.791 54.840 52.037 0.019 0.000 0.629 423 A CB -1.037 17.974 19.000 0.019 0.000 0.826 423 A HN 0.720 nan 8.150 nan 0.000 0.447 424 S N -0.057 115.658 115.700 0.024 0.000 2.387 424 S HA -0.214 4.256 4.470 -0.000 0.000 0.230 424 S C 1.724 176.336 174.600 0.020 0.000 1.035 424 S CA 1.695 59.910 58.200 0.024 0.000 1.014 424 S CB -0.448 62.772 63.200 0.034 0.000 0.836 424 S HN 0.605 nan 8.310 nan 0.000 0.466 425 K N 0.600 121.013 120.400 0.021 0.000 2.486 425 K HA 0.235 4.555 4.320 -0.000 0.000 0.194 425 K C 0.680 177.287 176.600 0.012 0.000 1.033 425 K CA 0.448 56.745 56.287 0.017 0.000 1.004 425 K CB -0.203 32.308 32.500 0.018 0.000 0.798 425 K HN 0.445 nan 8.250 nan 0.000 0.495 426 L N -0.156 121.074 121.223 0.012 0.000 3.017 426 L HA 0.227 4.567 4.340 -0.000 0.000 0.255 426 L C 1.549 178.424 176.870 0.008 0.000 1.247 426 L CA -0.321 54.525 54.840 0.009 0.000 1.038 426 L CB 0.401 42.465 42.059 0.009 0.000 1.380 426 L HN 0.027 nan 8.230 nan 0.000 0.548 427 A N -0.079 122.747 122.820 0.009 0.000 1.902 427 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 427 A C 1.790 179.378 177.584 0.006 0.000 1.181 427 A CA 1.623 53.665 52.037 0.008 0.000 0.623 427 A CB -0.169 18.836 19.000 0.008 0.000 0.818 427 A HN 0.355 nan 8.150 nan 0.000 0.443 428 D N -0.801 119.602 120.400 0.005 0.000 2.363 428 D HA 0.026 4.666 4.640 -0.000 0.000 0.220 428 D C 0.307 176.610 176.300 0.004 0.000 0.994 428 D CA 0.112 54.114 54.000 0.004 0.000 0.890 428 D CB -0.188 40.614 40.800 0.003 0.000 0.906 428 D HN 0.319 nan 8.370 nan 0.000 0.530 429 L N 2.126 123.351 121.223 0.004 0.000 2.477 429 L HA 0.069 4.409 4.340 -0.000 0.000 0.272 429 L C 0.123 176.995 176.870 0.003 0.000 1.157 429 L CA 0.503 55.345 54.840 0.004 0.000 0.889 429 L CB 0.103 42.165 42.059 0.004 0.000 1.158 429 L HN -0.231 nan 8.230 nan 0.000 0.473 430 R N 3.245 123.746 120.500 0.003 0.000 2.888 430 R HA 0.658 4.998 4.340 -0.000 0.000 0.266 430 R C 0.044 176.345 176.300 0.002 0.000 1.020 430 R CA -0.239 55.863 56.100 0.003 0.000 0.963 430 R CB 1.488 31.789 30.300 0.002 0.000 1.197 430 R HN 0.778 nan 8.270 nan 0.000 0.481 431 G N -0.132 108.669 108.800 0.002 0.000 3.392 431 G HA2 0.119 4.079 3.960 -0.000 0.000 0.188 431 G HA3 0.119 4.079 3.960 -0.000 0.000 0.188 431 G C 0.222 175.123 174.900 0.002 0.000 1.485 431 G CA 0.065 45.166 45.100 0.002 0.000 0.943 431 G HN 0.442 nan 8.290 nan 0.000 0.627 432 Q N -0.681 119.121 119.800 0.002 0.000 2.431 432 Q HA 0.192 4.532 4.340 -0.000 0.000 0.244 432 Q C 0.056 176.057 176.000 0.002 0.000 0.880 432 Q CA 0.330 56.134 55.803 0.002 0.000 0.954 432 Q CB 0.586 29.325 28.738 0.002 0.000 1.105 432 Q HN 0.625 nan 8.270 nan 0.000 0.558 433 N N -1.487 117.215 118.700 0.002 0.000 2.831 433 N HA 0.161 4.901 4.740 -0.000 0.000 0.276 433 N C -0.071 175.440 175.510 0.003 0.000 1.416 433 N CA -0.603 52.449 53.050 0.003 0.000 0.799 433 N CB 0.700 39.188 38.487 0.003 0.000 1.554 433 N HN -0.345 nan 8.380 nan 0.000 0.541 434 K N -0.524 119.877 120.400 0.003 0.000 2.155 434 K HA 0.050 4.370 4.320 -0.000 0.000 0.203 434 K C 0.313 176.915 176.600 0.004 0.000 1.052 434 K CA 1.397 57.685 56.287 0.003 0.000 0.948 434 K CB -0.580 31.922 32.500 0.003 0.000 0.728 434 K HN 0.609 nan 8.250 nan 0.000 0.448 435 D N 0.380 120.782 120.400 0.004 0.000 2.178 435 D HA -0.143 4.497 4.640 -0.000 0.000 0.201 435 D C 1.759 178.062 176.300 0.005 0.000 0.980 435 D CA 0.990 54.993 54.000 0.005 0.000 0.842 435 D CB 0.002 40.806 40.800 0.005 0.000 0.948 435 D HN 0.381 nan 8.370 nan 0.000 0.472 436 Q N -0.028 119.774 119.800 0.004 0.000 2.123 436 Q HA -0.045 4.295 4.340 -0.000 0.000 0.199 436 Q C 1.462 177.464 176.000 0.004 0.000 0.966 436 Q CA 0.724 56.530 55.803 0.004 0.000 0.845 436 Q CB -0.028 28.712 28.738 0.004 0.000 0.907 436 Q HN 0.249 nan 8.270 nan 0.000 0.439 437 N N -0.029 118.674 118.700 0.004 0.000 2.396 437 N HA -0.084 4.655 4.740 -0.000 0.000 0.180 437 N C 1.678 177.191 175.510 0.004 0.000 1.028 437 N CA 0.660 53.713 53.050 0.004 0.000 0.893 437 N CB -0.066 38.423 38.487 0.003 0.000 0.967 437 N HN 0.027 nan 8.380 nan 0.000 0.440 438 V N 0.304 120.221 119.914 0.005 0.000 2.323 438 V HA -0.038 4.082 4.120 -0.000 0.000 0.244 438 V C 2.460 178.558 176.094 0.006 0.000 1.041 438 V CA 1.866 64.169 62.300 0.005 0.000 1.025 438 V CB -1.299 30.527 31.823 0.005 0.000 0.656 438 V HN 0.300 nan 8.190 nan 0.000 0.451 439 G N 0.678 109.482 108.800 0.006 0.000 2.529 439 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 439 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 439 G C 1.573 176.477 174.900 0.007 0.000 1.177 439 G CA 1.510 46.614 45.100 0.007 0.000 0.773 439 G HN 0.489 nan 8.290 nan 0.000 0.573 440 I N 0.352 120.925 120.570 0.006 0.000 2.151 440 I HA -0.190 3.980 4.170 -0.000 0.000 0.243 440 I C 2.793 178.914 176.117 0.006 0.000 1.080 440 I CA 1.261 62.564 61.300 0.006 0.000 1.339 440 I CB -0.174 37.829 38.000 0.005 0.000 1.039 440 I HN 0.010 nan 8.210 nan 0.000 0.409 441 K N 0.527 120.931 120.400 0.006 0.000 2.097 441 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 441 K C 2.139 178.744 176.600 0.008 0.000 1.049 441 K CA 1.066 57.357 56.287 0.007 0.000 0.933 441 K CB -0.565 31.939 32.500 0.006 0.000 0.717 441 K HN 0.231 nan 8.250 nan 0.000 0.442 442 V N 1.414 121.333 119.914 0.008 0.000 2.515 442 V HA -0.211 3.909 4.120 -0.000 0.000 0.250 442 V C 2.408 178.508 176.094 0.010 0.000 1.058 442 V CA 1.762 64.067 62.300 0.009 0.000 1.064 442 V CB -0.666 31.162 31.823 0.009 0.000 0.675 442 V HN 0.260 nan 8.190 nan 0.000 0.461 443 A N 0.149 122.975 122.820 0.009 0.000 1.855 443 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 443 A C 2.183 179.773 177.584 0.011 0.000 1.191 443 A CA 1.678 53.721 52.037 0.010 0.000 0.613 443 A CB -0.565 18.441 19.000 0.008 0.000 0.829 443 A HN 0.464 nan 8.150 nan 0.000 0.442 444 L N -0.846 120.383 121.223 0.010 0.000 2.013 444 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 444 L C 2.793 179.670 176.870 0.012 0.000 1.073 444 L CA 1.832 56.678 54.840 0.011 0.000 0.753 444 L CB -0.547 41.518 42.059 0.011 0.000 0.890 444 L HN 0.325 nan 8.230 nan 0.000 0.432 445 R N -0.290 120.217 120.500 0.011 0.000 2.193 445 R HA -0.121 4.219 4.340 -0.000 0.000 0.229 445 R C 2.330 178.636 176.300 0.011 0.000 1.110 445 R CA 1.063 57.169 56.100 0.011 0.000 0.988 445 R CB -0.371 29.934 30.300 0.009 0.000 0.871 445 R HN 0.418 nan 8.270 nan 0.000 0.458 446 A N 0.729 123.556 122.820 0.012 0.000 1.930 446 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 446 A C 2.044 179.637 177.584 0.015 0.000 1.176 446 A CA 0.795 52.840 52.037 0.013 0.000 0.632 446 A CB -0.240 18.769 19.000 0.014 0.000 0.819 446 A HN 0.157 nan 8.150 nan 0.000 0.445 447 M N -0.122 119.487 119.600 0.016 0.000 2.346 447 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 447 M C 1.703 178.015 176.300 0.018 0.000 1.064 447 M CA 1.460 56.770 55.300 0.017 0.000 1.083 447 M CB -0.415 32.196 32.600 0.017 0.000 1.399 447 M HN 0.511 nan 8.290 nan 0.000 0.435 448 E N 0.591 120.801 120.200 0.017 0.000 2.107 448 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 448 E C 2.236 178.845 176.600 0.014 0.000 0.982 448 E CA 0.946 57.356 56.400 0.017 0.000 0.809 448 E CB -0.248 29.461 29.700 0.015 0.000 0.756 448 E HN 0.517 nan 8.360 nan 0.000 0.459 449 A N 2.440 125.268 122.820 0.013 0.000 1.909 449 A HA -0.221 4.099 4.320 -0.000 0.000 0.221 449 A C -0.263 177.328 177.584 0.012 0.000 1.223 449 A CA 2.028 54.072 52.037 0.011 0.000 0.658 449 A CB -1.773 17.233 19.000 0.011 0.000 0.831 449 A HN 0.166 nan 8.150 nan 0.000 0.462 450 P HA -0.202 nan 4.420 nan 0.000 0.213 450 P C 1.868 179.178 177.300 0.017 0.000 1.176 450 P CA 1.307 64.416 63.100 0.015 0.000 0.919 450 P CB -0.235 31.476 31.700 0.018 0.000 0.791 451 L N -0.760 120.475 121.223 0.019 0.000 1.978 451 L HA -0.290 4.050 4.340 -0.000 0.000 0.218 451 L C 2.604 179.482 176.870 0.014 0.000 1.075 451 L CA 2.024 56.878 54.840 0.023 0.000 0.767 451 L CB -0.451 41.623 42.059 0.025 0.000 0.890 451 L HN -0.164 nan 8.230 nan 0.000 0.434 452 R N -0.888 119.616 120.500 0.007 0.000 2.096 452 R HA -0.273 4.067 4.340 -0.000 0.000 0.240 452 R C 2.343 178.644 176.300 0.001 0.000 1.139 452 R CA 2.006 58.105 56.100 -0.002 0.000 0.952 452 R CB -0.518 29.782 30.300 -0.000 0.000 0.854 452 R HN 0.414 nan 8.270 nan 0.000 0.436 453 Q N 0.898 120.702 119.800 0.006 0.000 2.170 453 Q HA -0.078 4.262 4.340 -0.000 0.000 0.203 453 Q C 1.802 177.808 176.000 0.011 0.000 0.976 453 Q CA 1.494 57.302 55.803 0.007 0.000 0.858 453 Q CB -0.058 28.685 28.738 0.008 0.000 0.907 453 Q HN 0.409 nan 8.270 nan 0.000 0.433 454 I N -1.127 119.454 120.570 0.018 0.000 2.233 454 I HA -0.204 3.966 4.170 -0.000 0.000 0.243 454 I C 1.990 178.130 176.117 0.037 0.000 1.093 454 I CA 0.696 62.012 61.300 0.027 0.000 1.380 454 I CB -0.444 37.577 38.000 0.035 0.000 1.067 454 I HN -0.007 nan 8.210 nan 0.000 0.413 455 V N 1.178 121.113 119.914 0.034 0.000 2.282 455 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 455 V C 2.540 178.638 176.094 0.006 0.000 1.057 455 V CA 1.901 64.210 62.300 0.014 0.000 1.032 455 V CB -0.742 31.042 31.823 -0.065 0.000 0.645 455 V HN 0.343 nan 8.190 nan 0.000 0.447 456 L N 0.976 122.199 121.223 0.000 0.000 2.013 456 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 456 L C 2.261 179.135 176.870 0.008 0.000 1.073 456 L CA 2.089 56.929 54.840 0.001 0.000 0.753 456 L CB -0.914 41.145 42.059 0.000 0.000 0.890 456 L HN 0.363 nan 8.230 nan 0.000 0.432 457 N N -1.168 117.540 118.700 0.012 0.000 2.272 457 N HA -0.169 4.571 4.740 -0.000 0.000 0.185 457 N C 1.705 177.224 175.510 0.016 0.000 1.014 457 N CA 1.661 54.718 53.050 0.012 0.000 0.870 457 N CB -0.772 37.722 38.487 0.011 0.000 0.975 457 N HN 0.462 nan 8.380 nan 0.000 0.433 458 C N -0.981 118.335 119.300 0.027 0.000 2.539 458 C HA 0.328 4.788 4.460 -0.000 0.000 0.268 458 C C 1.751 176.758 174.990 0.027 0.000 1.395 458 C CA 0.213 59.252 59.018 0.035 0.000 1.757 458 C CB -0.942 26.842 27.740 0.074 0.000 1.851 458 C HN 0.600 nan 8.230 nan 0.000 0.545 459 G N 0.826 109.637 108.800 0.018 0.000 2.141 459 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.242 459 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.242 459 G C -0.278 174.627 174.900 0.009 0.000 0.982 459 G CA 0.120 45.227 45.100 0.012 0.000 0.662 459 G HN 0.535 nan 8.290 nan 0.000 0.527 460 E N 0.293 120.495 120.200 0.004 0.000 2.232 460 E HA 0.445 4.795 4.350 -0.000 0.000 0.264 460 E C -0.100 176.478 176.600 -0.037 0.000 0.973 460 E CA -0.781 55.609 56.400 -0.016 0.000 0.849 460 E CB 0.987 30.669 29.700 -0.030 0.000 1.198 460 E HN 0.478 nan 8.360 nan 0.000 0.407 461 E N 2.007 122.181 120.200 -0.044 0.000 2.129 461 E HA 0.081 4.431 4.350 -0.000 0.000 0.283 461 E C -1.675 174.890 176.600 -0.059 0.000 1.080 461 E CA -1.591 54.785 56.400 -0.039 0.000 0.867 461 E CB 0.777 30.461 29.700 -0.026 0.000 1.056 461 E HN 0.154 nan 8.360 nan 0.000 0.404 462 P HA -0.207 nan 4.420 nan 0.000 0.215 462 P C 1.251 178.529 177.300 -0.038 0.000 1.157 462 P CA 1.174 64.245 63.100 -0.048 0.000 0.863 462 P CB 0.202 31.887 31.700 -0.026 0.000 0.787 463 S N -0.656 115.030 115.700 -0.023 0.000 2.383 463 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 463 S C 2.028 176.619 174.600 -0.015 0.000 1.030 463 S CA 1.468 59.659 58.200 -0.014 0.000 1.002 463 S CB -1.864 61.331 63.200 -0.009 0.000 0.829 463 S HN -0.057 nan 8.310 nan 0.000 0.467 464 V N 1.966 121.866 119.914 -0.023 0.000 2.216 464 V HA -0.169 3.951 4.120 -0.000 0.000 0.243 464 V C 2.614 178.700 176.094 -0.012 0.000 1.044 464 V CA 1.800 64.089 62.300 -0.019 0.000 0.995 464 V CB -0.995 30.815 31.823 -0.022 0.000 0.633 464 V HN 0.431 nan 8.190 nan 0.000 0.446 465 V N 0.417 120.307 119.914 -0.039 0.000 2.278 465 V HA -0.361 3.759 4.120 -0.000 0.000 0.251 465 V C 2.725 178.841 176.094 0.036 0.000 1.062 465 V CA 2.346 64.630 62.300 -0.027 0.000 1.038 465 V CB -1.398 30.233 31.823 -0.320 0.000 0.646 465 V HN 0.595 nan 8.190 nan 0.000 0.447 466 A N 0.518 123.339 122.820 0.001 0.000 1.859 466 A HA -0.363 3.957 4.320 -0.000 0.000 0.217 466 A C 2.075 179.683 177.584 0.040 0.000 1.198 466 A CA 2.683 54.734 52.037 0.024 0.000 0.629 466 A CB -1.011 17.994 19.000 0.010 0.000 0.830 466 A HN 0.637 nan 8.150 nan 0.000 0.446 467 N N -0.888 117.825 118.700 0.022 0.000 2.289 467 N HA -0.099 4.641 4.740 -0.000 0.000 0.184 467 N C 1.465 176.986 175.510 0.018 0.000 1.016 467 N CA 2.021 55.082 53.050 0.017 0.000 0.872 467 N CB -0.316 38.173 38.487 0.003 0.000 0.973 467 N HN 0.445 nan 8.380 nan 0.000 0.433 468 T N -1.344 113.218 114.554 0.014 0.000 2.942 468 T HA 0.039 4.389 4.350 -0.000 0.000 0.265 468 T C 1.767 176.516 174.700 0.080 0.000 1.062 468 T CA 0.696 62.773 62.100 -0.039 0.000 1.139 468 T CB -0.009 68.736 68.868 -0.205 0.000 0.883 468 T HN 0.015 nan 8.240 nan 0.000 0.468 469 V N 1.071 121.080 119.914 0.159 0.000 2.878 469 V HA 0.030 4.150 4.120 -0.000 0.000 0.250 469 V C 2.284 178.500 176.094 0.203 0.000 1.075 469 V CA 1.068 63.501 62.300 0.220 0.000 1.096 469 V CB -0.271 31.647 31.823 0.159 0.000 0.724 469 V HN 0.393 nan 8.190 nan 0.000 0.467 470 K N 0.627 121.101 120.400 0.123 0.000 2.097 470 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 470 K C 2.171 178.820 176.600 0.082 0.000 1.049 470 K CA 1.424 57.764 56.287 0.089 0.000 0.933 470 K CB -0.502 32.029 32.500 0.052 0.000 0.717 470 K HN 0.529 nan 8.250 nan 0.000 0.442 471 G N 1.055 109.898 108.800 0.072 0.000 2.443 471 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.219 471 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.219 471 G C 0.837 175.738 174.900 0.001 0.000 1.131 471 G CA 0.589 45.703 45.100 0.023 0.000 0.775 471 G HN 0.374 nan 8.290 nan 0.000 0.547 472 G N -0.886 107.949 108.800 0.059 0.000 2.529 472 G HA2 0.431 4.391 3.960 -0.000 0.000 0.277 472 G HA3 0.431 4.391 3.960 -0.000 0.000 0.277 472 G C -0.800 174.119 174.900 0.031 0.000 1.383 472 G CA -0.179 44.889 45.100 -0.054 0.000 1.050 472 G HN 0.164 nan 8.290 nan 0.000 0.526 473 D N -2.429 117.989 120.400 0.031 0.000 2.583 473 D HA 0.520 5.160 4.640 -0.000 0.000 0.248 473 D C 0.714 177.077 176.300 0.105 0.000 1.209 473 D CA 0.820 54.855 54.000 0.059 0.000 0.848 473 D CB 1.923 42.727 40.800 0.007 0.000 1.431 473 D HN 0.963 nan 8.370 nan 0.000 0.436 474 G N 1.594 110.444 108.800 0.084 0.000 2.536 474 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.280 474 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.280 474 G C 0.250 175.211 174.900 0.101 0.000 1.152 474 G CA 0.286 45.435 45.100 0.082 0.000 0.970 474 G HN 0.546 nan 8.290 nan 0.000 0.549 475 N N 0.106 118.870 118.700 0.105 0.000 2.320 475 N HA 0.340 5.080 4.740 -0.000 0.000 0.237 475 N C -0.146 175.439 175.510 0.125 0.000 1.129 475 N CA -0.099 53.006 53.050 0.091 0.000 0.854 475 N CB 0.283 38.806 38.487 0.060 0.000 1.083 475 N HN 0.506 nan 8.380 nan 0.000 0.504 476 Y N 1.086 121.417 120.300 0.052 0.000 2.537 476 Y HA 0.440 4.990 4.550 -0.000 0.000 0.339 476 Y C 0.761 176.727 175.900 0.111 0.000 1.066 476 Y CA -0.128 58.018 58.100 0.077 0.000 1.357 476 Y CB -0.149 38.352 38.460 0.068 0.000 1.175 476 Y HN 0.071 nan 8.280 nan 0.000 0.525 477 G N 4.271 112.817 108.800 -0.423 0.000 3.085 477 G HA2 0.270 4.230 3.960 -0.000 0.000 0.264 477 G HA3 0.270 4.230 3.960 -0.000 0.000 0.264 477 G C -2.312 172.464 174.900 -0.206 0.000 1.206 477 G CA -0.828 44.114 45.100 -0.263 0.000 0.809 477 G HN 0.500 nan 8.290 nan 0.000 0.592 478 Y N 1.376 121.515 120.300 -0.270 0.000 2.326 478 Y HA 0.532 5.082 4.550 -0.000 0.000 0.329 478 Y C -0.223 175.497 175.900 -0.299 0.000 0.973 478 Y CA -1.274 56.554 58.100 -0.453 0.000 1.162 478 Y CB 1.510 39.612 38.460 -0.596 0.000 1.147 478 Y HN 0.432 nan 8.280 nan 0.000 0.456 479 N N 4.659 122.915 118.700 -0.741 0.000 2.416 479 N HA 0.086 4.826 4.740 -0.000 0.000 0.265 479 N C 0.637 175.578 175.510 -0.949 0.000 1.195 479 N CA 0.840 53.517 53.050 -0.623 0.000 0.943 479 N CB 1.584 39.816 38.487 -0.425 0.000 1.115 479 N HN 0.964 nan 8.380 nan 0.000 0.481 480 A N 4.304 126.813 122.820 -0.518 0.000 1.930 480 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 480 A C 2.060 179.508 177.584 -0.227 0.000 1.175 480 A CA 1.683 53.545 52.037 -0.292 0.000 0.627 480 A CB -0.549 18.416 19.000 -0.058 0.000 0.815 480 A HN 0.747 nan 8.150 nan 0.000 0.443 481 A N -0.483 122.212 122.820 -0.208 0.000 1.898 481 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 481 A C 2.294 179.792 177.584 -0.142 0.000 1.181 481 A CA 2.294 54.249 52.037 -0.136 0.000 0.620 481 A CB -0.890 18.046 19.000 -0.107 0.000 0.819 481 A HN 0.731 nan 8.150 nan 0.000 0.442 482 T N -4.215 110.216 114.554 -0.205 0.000 3.022 482 T HA 0.273 4.623 4.350 -0.000 0.000 0.250 482 T C 0.325 174.915 174.700 -0.183 0.000 1.060 482 T CA 0.655 62.658 62.100 -0.162 0.000 1.013 482 T CB -0.079 68.705 68.868 -0.140 0.000 0.982 482 T HN 0.551 nan 8.240 nan 0.000 0.508 483 E N 0.856 120.851 120.200 -0.342 0.000 2.694 483 E HA -0.124 4.226 4.350 -0.000 0.000 0.272 483 E C -0.867 175.603 176.600 -0.218 0.000 1.040 483 E CA 0.450 56.681 56.400 -0.281 0.000 0.809 483 E CB -0.916 28.801 29.700 0.028 0.000 1.389 483 E HN 0.609 nan 8.360 nan 0.000 0.413 484 E N -0.320 119.638 120.200 -0.403 0.000 2.227 484 E HA 0.407 4.757 4.350 -0.000 0.000 0.268 484 E C -0.355 176.066 176.600 -0.298 0.000 0.907 484 E CA -0.570 55.721 56.400 -0.182 0.000 0.786 484 E CB 0.935 30.585 29.700 -0.084 0.000 1.191 484 E HN 0.044 nan 8.360 nan 0.000 0.411 485 Y N 0.035 120.354 120.300 0.032 0.000 2.408 485 Y HA 0.595 5.145 4.550 -0.000 0.000 0.324 485 Y C 1.271 177.151 175.900 -0.034 0.000 1.302 485 Y CA 0.656 58.743 58.100 -0.021 0.000 1.384 485 Y CB 1.491 39.990 38.460 0.065 0.000 1.367 485 Y HN 0.709 nan 8.280 nan 0.000 0.525 486 G N 0.339 109.163 108.800 0.041 0.000 2.340 486 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.282 486 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.282 486 G C -1.708 173.242 174.900 0.083 0.000 1.312 486 G CA -1.210 43.988 45.100 0.165 0.000 0.942 486 G HN 0.548 nan 8.290 nan 0.000 0.495 487 N N 1.067 119.848 118.700 0.136 0.000 2.452 487 N HA 0.168 4.908 4.740 -0.000 0.000 0.266 487 N C 1.778 177.300 175.510 0.021 0.000 1.175 487 N CA -0.298 52.807 53.050 0.092 0.000 0.945 487 N CB 0.742 39.283 38.487 0.092 0.000 1.063 487 N HN 0.432 nan 8.380 nan 0.000 0.472 488 M N 3.470 123.069 119.600 -0.001 0.000 2.288 488 M HA -0.088 4.392 4.480 -0.000 0.000 0.266 488 M C 1.637 177.928 176.300 -0.015 0.000 1.072 488 M CA 0.692 55.974 55.300 -0.030 0.000 1.132 488 M CB -0.370 32.208 32.600 -0.037 0.000 1.386 488 M HN 0.509 nan 8.290 nan 0.000 0.432 489 I N 1.144 121.716 120.570 0.003 0.000 2.163 489 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 489 I C 1.813 177.932 176.117 0.003 0.000 1.085 489 I CA 1.618 62.921 61.300 0.006 0.000 1.347 489 I CB -1.674 36.335 38.000 0.015 0.000 1.044 489 I HN 0.243 nan 8.210 nan 0.000 0.408 490 D N 0.537 120.943 120.400 0.009 0.000 2.144 490 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 490 D C 2.321 178.618 176.300 -0.004 0.000 0.984 490 D CA 1.145 55.150 54.000 0.008 0.000 0.834 490 D CB -0.190 40.621 40.800 0.019 0.000 0.955 490 D HN 0.354 nan 8.370 nan 0.000 0.465 491 M N -1.066 118.525 119.600 -0.015 0.000 2.492 491 M HA 0.115 4.595 4.480 -0.000 0.000 0.262 491 M C 1.496 177.774 176.300 -0.036 0.000 1.090 491 M CA 1.074 56.355 55.300 -0.033 0.000 1.110 491 M CB 0.556 33.121 32.600 -0.057 0.000 1.407 491 M HN 0.230 nan 8.290 nan 0.000 0.470 492 G N 0.806 109.589 108.800 -0.028 0.000 2.391 492 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.204 492 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.204 492 G C 0.253 175.136 174.900 -0.027 0.000 1.012 492 G CA -0.614 44.471 45.100 -0.025 0.000 0.651 492 G HN 0.354 nan 8.290 nan 0.000 0.494 493 I N 3.129 123.676 120.570 -0.039 0.000 2.460 493 I HA 0.423 4.593 4.170 -0.000 0.000 0.297 493 I C 0.388 176.490 176.117 -0.025 0.000 1.139 493 I CA 0.072 61.349 61.300 -0.039 0.000 1.340 493 I CB -0.150 37.814 38.000 -0.060 0.000 1.444 493 I HN 0.363 nan 8.210 nan 0.000 0.557 494 L N 3.851 125.065 121.223 -0.014 0.000 2.415 494 L HA 0.778 5.118 4.340 -0.000 0.000 0.256 494 L C -1.256 175.614 176.870 0.001 0.000 1.010 494 L CA -0.802 54.035 54.840 -0.005 0.000 0.826 494 L CB 1.820 43.879 42.059 -0.001 0.000 1.405 494 L HN 0.050 nan 8.230 nan 0.000 0.410 495 D N 0.469 120.872 120.400 0.006 0.000 2.649 495 D HA 0.459 5.099 4.640 -0.000 0.000 0.249 495 D C -2.743 173.566 176.300 0.015 0.000 1.112 495 D CA -1.174 52.833 54.000 0.011 0.000 0.850 495 D CB 2.324 43.131 40.800 0.012 0.000 1.399 495 D HN 0.362 nan 8.370 nan 0.000 0.503 496 P HA -0.010 nan 4.420 nan 0.000 0.264 496 P C 0.946 178.258 177.300 0.020 0.000 1.179 496 P CA 0.110 63.222 63.100 0.020 0.000 0.763 496 P CB 0.575 32.292 31.700 0.028 0.000 0.806 497 T N 1.686 116.250 114.554 0.017 0.000 2.849 497 T HA -0.193 4.157 4.350 -0.000 0.000 0.270 497 T C 1.596 176.306 174.700 0.017 0.000 1.066 497 T CA 1.310 63.419 62.100 0.015 0.000 1.130 497 T CB -0.254 68.621 68.868 0.012 0.000 0.864 497 T HN 0.501 nan 8.240 nan 0.000 0.481 498 K N 0.941 121.354 120.400 0.022 0.000 2.026 498 K HA -0.104 4.216 4.320 -0.000 0.000 0.208 498 K C 2.497 179.119 176.600 0.036 0.000 1.048 498 K CA 1.552 57.855 56.287 0.027 0.000 0.929 498 K CB -0.345 32.175 32.500 0.035 0.000 0.713 498 K HN 0.335 nan 8.250 nan 0.000 0.439 499 V N -0.520 119.419 119.914 0.041 0.000 2.295 499 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 499 V C 1.840 177.959 176.094 0.042 0.000 1.049 499 V CA 2.347 64.675 62.300 0.047 0.000 1.024 499 V CB -1.150 30.698 31.823 0.040 0.000 0.648 499 V HN 0.309 nan 8.190 nan 0.000 0.447 500 T N 0.555 115.127 114.554 0.030 0.000 2.708 500 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 500 T C 2.028 176.742 174.700 0.023 0.000 1.037 500 T CA 2.138 64.254 62.100 0.026 0.000 1.146 500 T CB -0.469 68.411 68.868 0.020 0.000 0.865 500 T HN 0.611 nan 8.240 nan 0.000 0.435 501 R N 1.030 121.539 120.500 0.015 0.000 2.081 501 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 501 R C 2.506 178.797 176.300 -0.015 0.000 1.131 501 R CA 1.699 57.797 56.100 -0.003 0.000 0.960 501 R CB -0.365 29.928 30.300 -0.011 0.000 0.856 501 R HN 0.302 nan 8.270 nan 0.000 0.436 502 S N 0.872 116.579 115.700 0.012 0.000 2.348 502 S HA -0.119 4.351 4.470 -0.000 0.000 0.221 502 S C 2.112 176.789 174.600 0.129 0.000 1.033 502 S CA 1.127 59.349 58.200 0.038 0.000 1.010 502 S CB -0.397 62.888 63.200 0.140 0.000 0.891 502 S HN 0.565 nan 8.310 nan 0.000 0.442 503 A N 1.678 124.571 122.820 0.121 0.000 1.884 503 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 503 A C 2.191 179.835 177.584 0.100 0.000 1.197 503 A CA 1.933 54.042 52.037 0.119 0.000 0.637 503 A CB -1.004 18.038 19.000 0.068 0.000 0.827 503 A HN 0.406 nan 8.150 nan 0.000 0.450 504 L N -0.483 120.770 121.223 0.049 0.000 1.994 504 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 504 L C 2.664 179.538 176.870 0.008 0.000 1.071 504 L CA 2.525 57.381 54.840 0.026 0.000 0.745 504 L CB -0.637 41.427 42.059 0.008 0.000 0.892 504 L HN 0.536 nan 8.230 nan 0.000 0.431 505 Q N -2.020 117.751 119.800 -0.049 0.000 2.124 505 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 505 Q C 2.086 178.026 176.000 -0.100 0.000 0.977 505 Q CA 1.893 57.626 55.803 -0.117 0.000 0.850 505 Q CB -0.265 28.335 28.738 -0.231 0.000 0.901 505 Q HN 0.513 nan 8.270 nan 0.000 0.429 506 Y N 0.178 120.480 120.300 0.004 0.000 2.184 506 Y HA -0.125 4.425 4.550 -0.000 0.000 0.290 506 Y C 2.438 178.340 175.900 0.003 0.000 1.129 506 Y CA 0.880 58.982 58.100 0.003 0.000 1.144 506 Y CB -0.778 37.683 38.460 0.002 0.000 0.995 506 Y HN 0.109 nan 8.280 nan 0.000 0.513 507 A N 0.047 122.962 122.820 0.159 0.000 1.948 507 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 507 A C 2.416 180.039 177.584 0.064 0.000 1.177 507 A CA 2.146 54.237 52.037 0.090 0.000 0.636 507 A CB -1.173 17.865 19.000 0.063 0.000 0.815 507 A HN 0.415 nan 8.150 nan 0.000 0.449 508 A N -1.343 121.508 122.820 0.051 0.000 1.930 508 A HA 0.037 4.357 4.320 -0.000 0.000 0.215 508 A C 2.422 180.026 177.584 0.033 0.000 1.176 508 A CA 1.791 53.846 52.037 0.030 0.000 0.632 508 A CB -0.819 18.188 19.000 0.012 0.000 0.819 508 A HN 0.536 nan 8.150 nan 0.000 0.445 509 S N -0.735 114.993 115.700 0.046 0.000 2.348 509 S HA -0.145 4.325 4.470 -0.000 0.000 0.221 509 S C 1.990 176.626 174.600 0.060 0.000 1.033 509 S CA 1.789 60.021 58.200 0.054 0.000 1.010 509 S CB -0.579 62.673 63.200 0.087 0.000 0.891 509 S HN 0.468 nan 8.310 nan 0.000 0.442 510 V N 1.898 121.856 119.914 0.075 0.000 2.229 510 V HA -0.040 4.080 4.120 -0.000 0.000 0.243 510 V C 2.690 178.806 176.094 0.038 0.000 1.042 510 V CA 2.268 64.600 62.300 0.054 0.000 1.000 510 V CB -1.342 30.511 31.823 0.050 0.000 0.637 510 V HN 0.594 nan 8.190 nan 0.000 0.446 511 A N 0.065 122.907 122.820 0.037 0.000 1.940 511 A HA -0.213 4.107 4.320 -0.000 0.000 0.221 511 A C 2.366 179.965 177.584 0.025 0.000 1.190 511 A CA 2.497 54.551 52.037 0.028 0.000 0.647 511 A CB -1.654 17.362 19.000 0.027 0.000 0.821 511 A HN 0.792 nan 8.150 nan 0.000 0.457 512 G N -0.562 108.254 108.800 0.026 0.000 2.418 512 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.217 512 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.217 512 G C 1.560 176.473 174.900 0.021 0.000 1.158 512 G CA 1.066 46.179 45.100 0.021 0.000 0.771 512 G HN 0.459 nan 8.290 nan 0.000 0.545 513 L N -0.390 120.848 121.223 0.025 0.000 1.976 513 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 513 L C 3.036 179.919 176.870 0.022 0.000 1.071 513 L CA 1.260 56.114 54.840 0.023 0.000 0.746 513 L CB -0.402 41.672 42.059 0.025 0.000 0.890 513 L HN 0.164 nan 8.230 nan 0.000 0.432 514 M N -0.495 119.118 119.600 0.022 0.000 2.143 514 M HA -0.281 4.199 4.480 -0.000 0.000 0.258 514 M C 2.204 178.515 176.300 0.020 0.000 1.071 514 M CA 1.910 57.222 55.300 0.021 0.000 1.088 514 M CB -0.298 32.314 32.600 0.021 0.000 1.360 514 M HN 0.252 nan 8.290 nan 0.000 0.404 515 I N -0.810 119.771 120.570 0.019 0.000 2.761 515 I HA -0.180 3.990 4.170 -0.000 0.000 0.261 515 I C 1.840 177.968 176.117 0.018 0.000 1.198 515 I CA 1.258 62.569 61.300 0.018 0.000 1.482 515 I CB -0.227 37.783 38.000 0.016 0.000 1.100 515 I HN 0.362 nan 8.210 nan 0.000 0.445 516 T N -3.088 111.478 114.554 0.020 0.000 3.086 516 T HA 0.119 4.469 4.350 -0.000 0.000 0.250 516 T C 0.779 175.493 174.700 0.024 0.000 1.074 516 T CA -0.157 61.956 62.100 0.021 0.000 0.988 516 T CB -0.527 68.353 68.868 0.019 0.000 0.988 516 T HN 0.009 nan 8.240 nan 0.000 0.530 517 T N 2.700 117.267 114.554 0.023 0.000 2.907 517 T HA 0.232 4.582 4.350 -0.000 0.000 0.298 517 T C 0.686 175.404 174.700 0.030 0.000 1.017 517 T CA -0.395 61.719 62.100 0.024 0.000 1.118 517 T CB 1.304 70.183 68.868 0.019 0.000 0.948 517 T HN 0.074 nan 8.240 nan 0.000 0.531 518 E N -0.086 120.138 120.200 0.039 0.000 2.485 518 E HA 0.190 4.540 4.350 -0.000 0.000 0.213 518 E C 0.127 176.765 176.600 0.064 0.000 0.923 518 E CA 0.076 56.516 56.400 0.067 0.000 1.054 518 E CB 0.775 30.530 29.700 0.093 0.000 1.077 518 E HN 0.602 nan 8.360 nan 0.000 0.509 519 C N 0.397 119.692 119.300 -0.008 0.000 3.086 519 C HA 0.718 5.178 4.460 -0.000 0.000 0.311 519 C C -1.372 173.538 174.990 -0.133 0.000 1.260 519 C CA -0.589 58.323 59.018 -0.177 0.000 1.426 519 C CB 0.717 28.303 27.740 -0.256 0.000 1.826 519 C HN 0.130 nan 8.230 nan 0.000 0.474 520 M N 4.172 123.672 119.600 -0.168 0.000 2.457 520 M HA 0.614 5.094 4.480 -0.000 0.000 0.300 520 M C -1.087 175.246 176.300 0.054 0.000 1.141 520 M CA -0.578 54.734 55.300 0.021 0.000 0.901 520 M CB 2.178 34.912 32.600 0.222 0.000 1.687 520 M HN 0.450 nan 8.290 nan 0.000 0.449 521 V N 0.751 120.671 119.914 0.010 0.000 2.628 521 V HA 0.849 4.969 4.120 -0.000 0.000 0.306 521 V C -0.235 175.780 176.094 -0.133 0.000 1.045 521 V CA -0.446 61.843 62.300 -0.018 0.000 0.905 521 V CB 1.920 33.724 31.823 -0.032 0.000 0.997 521 V HN 0.965 nan 8.190 nan 0.000 0.436 522 T N 1.088 115.524 114.554 -0.197 0.000 2.711 522 T HA 0.344 4.694 4.350 -0.000 0.000 0.302 522 T C -1.751 172.840 174.700 -0.183 0.000 1.373 522 T CA -0.529 61.388 62.100 -0.305 0.000 1.000 522 T CB 2.038 70.510 68.868 -0.660 0.000 1.483 522 T HN 0.695 nan 8.240 nan 0.000 0.499 523 D N 1.113 121.413 120.400 -0.167 0.000 2.348 523 D HA 0.431 5.071 4.640 -0.000 0.000 0.249 523 D C -0.245 176.011 176.300 -0.074 0.000 1.110 523 D CA -0.280 53.666 54.000 -0.091 0.000 0.967 523 D CB 0.922 41.678 40.800 -0.072 0.000 1.139 523 D HN 0.211 nan 8.370 nan 0.000 0.466 524 L N 2.305 123.510 121.223 -0.030 0.000 2.380 524 L HA 0.244 4.584 4.340 -0.000 0.000 0.273 524 L C -1.479 175.383 176.870 -0.014 0.000 1.138 524 L CA -0.996 53.840 54.840 -0.006 0.000 0.832 524 L CB -0.627 41.437 42.059 0.007 0.000 1.124 524 L HN 0.235 nan 8.230 nan 0.000 0.454 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 525 P CB 0.000 31.705 31.700 0.008 0.000 0.726