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 1xck_1_C DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 1.936 124.757 122.820 0.000 0.000 2.567 3 A HA 0.500 4.820 4.320 -0.000 0.000 0.240 3 A C 0.340 177.925 177.584 0.003 0.000 1.053 3 A CA 0.497 52.538 52.037 0.007 0.000 0.755 3 A CB -0.117 18.889 19.000 0.011 0.000 0.978 3 A HN 0.621 nan 8.150 nan 0.000 0.507 4 K N 1.193 121.599 120.400 0.011 0.000 2.211 4 K HA 0.463 4.783 4.320 -0.000 0.000 0.237 4 K C -1.092 175.529 176.600 0.034 0.000 1.002 4 K CA -0.691 55.599 56.287 0.006 0.000 0.885 4 K CB 1.319 33.821 32.500 0.004 0.000 1.136 4 K HN 0.718 nan 8.250 nan 0.000 0.448 5 D N 0.919 121.347 120.400 0.046 0.000 2.425 5 D HA 0.307 4.946 4.640 -0.000 0.000 0.240 5 D C -1.319 175.116 176.300 0.225 0.000 1.080 5 D CA -0.556 53.530 54.000 0.143 0.000 0.836 5 D CB 1.138 42.044 40.800 0.178 0.000 1.125 5 D HN 0.048 nan 8.370 nan 0.000 0.525 6 V N 4.527 124.532 119.914 0.151 0.000 2.417 6 V HA 0.461 4.581 4.120 -0.000 0.000 0.291 6 V C 0.281 176.295 176.094 -0.133 0.000 1.024 6 V CA -0.718 61.586 62.300 0.007 0.000 0.861 6 V CB 1.640 33.420 31.823 -0.072 0.000 0.985 6 V HN 0.365 nan 8.190 nan 0.000 0.436 7 K N 3.694 123.899 120.400 -0.325 0.000 2.318 7 K HA 0.740 5.060 4.320 -0.000 0.000 0.249 7 K C -1.494 174.763 176.600 -0.571 0.000 0.942 7 K CA -0.478 55.556 56.287 -0.422 0.000 0.808 7 K CB 2.373 34.438 32.500 -0.725 0.000 1.189 7 K HN 0.448 nan 8.250 nan 0.000 0.428 8 F N -0.265 119.631 119.950 -0.091 0.000 2.598 8 F HA 0.399 4.926 4.527 -0.000 0.000 0.327 8 F C 1.377 177.143 175.800 -0.057 0.000 1.057 8 F CA -0.093 57.876 58.000 -0.051 0.000 0.957 8 F CB 1.298 40.279 39.000 -0.032 0.000 1.278 8 F HN 0.812 nan 8.300 nan 0.000 0.484 9 G N 1.430 110.337 108.800 0.179 0.000 2.648 9 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.357 9 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.357 9 G C 1.319 176.237 174.900 0.029 0.000 1.342 9 G CA 0.997 46.148 45.100 0.085 0.000 0.978 9 G HN 0.832 nan 8.290 nan 0.000 0.532 10 N N 0.525 119.237 118.700 0.019 0.000 2.060 10 N HA -0.212 4.528 4.740 -0.000 0.000 0.195 10 N C 1.901 177.397 175.510 -0.025 0.000 1.028 10 N CA 2.479 55.528 53.050 -0.002 0.000 0.861 10 N CB -0.401 38.086 38.487 -0.001 0.000 1.029 10 N HN 0.596 nan 8.380 nan 0.000 0.428 11 D N 0.139 120.520 120.400 -0.032 0.000 2.158 11 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 11 D C 1.802 178.016 176.300 -0.143 0.000 0.995 11 D CA 1.575 55.529 54.000 -0.078 0.000 0.846 11 D CB -0.291 40.464 40.800 -0.075 0.000 0.941 11 D HN 0.408 nan 8.370 nan 0.000 0.456 12 A N 0.259 122.993 122.820 -0.144 0.000 1.872 12 A HA -0.093 4.226 4.320 -0.000 0.000 0.214 12 A C 2.328 179.864 177.584 -0.080 0.000 1.187 12 A CA 1.277 53.205 52.037 -0.182 0.000 0.614 12 A CB -0.457 18.457 19.000 -0.142 0.000 0.826 12 A HN 0.197 nan 8.150 nan 0.000 0.442 13 R N -0.175 120.301 120.500 -0.041 0.000 2.096 13 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 13 R C 2.109 178.402 176.300 -0.012 0.000 1.127 13 R CA 1.623 57.715 56.100 -0.014 0.000 0.968 13 R CB -0.698 29.600 30.300 -0.004 0.000 0.861 13 R HN 0.599 nan 8.270 nan 0.000 0.440 14 V N -0.651 119.249 119.914 -0.023 0.000 2.427 14 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 14 V C 1.964 178.053 176.094 -0.008 0.000 1.051 14 V CA 1.361 63.652 62.300 -0.015 0.000 1.048 14 V CB -0.403 31.408 31.823 -0.020 0.000 0.666 14 V HN 0.062 nan 8.190 nan 0.000 0.456 15 K N 0.151 120.539 120.400 -0.020 0.000 2.032 15 K HA -0.063 4.256 4.320 -0.000 0.000 0.209 15 K C 2.232 178.861 176.600 0.049 0.000 1.048 15 K CA 2.188 58.485 56.287 0.017 0.000 0.927 15 K CB -0.540 31.965 32.500 0.008 0.000 0.712 15 K HN 0.535 nan 8.250 nan 0.000 0.441 16 M N 0.213 119.839 119.600 0.043 0.000 2.067 16 M HA -0.194 4.286 4.480 -0.000 0.000 0.260 16 M C 2.269 178.587 176.300 0.030 0.000 1.069 16 M CA 1.168 56.495 55.300 0.046 0.000 1.117 16 M CB -0.432 32.191 32.600 0.038 0.000 1.334 16 M HN 0.033 nan 8.290 nan 0.000 0.407 17 L N 0.756 121.991 121.223 0.019 0.000 1.990 17 L HA -0.243 4.097 4.340 -0.000 0.000 0.213 17 L C 2.489 179.368 176.870 0.015 0.000 1.072 17 L CA 2.074 56.923 54.840 0.014 0.000 0.755 17 L CB -0.819 41.245 42.059 0.009 0.000 0.889 17 L HN 0.197 nan 8.230 nan 0.000 0.432 18 R N -0.395 120.114 120.500 0.016 0.000 2.119 18 R HA -0.148 4.192 4.340 -0.000 0.000 0.246 18 R C 2.151 178.462 176.300 0.018 0.000 1.146 18 R CA 1.901 58.010 56.100 0.016 0.000 0.962 18 R CB -1.200 29.111 30.300 0.018 0.000 0.863 18 R HN 0.527 nan 8.270 nan 0.000 0.442 19 G N -0.413 108.402 108.800 0.026 0.000 2.402 19 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.216 19 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.216 19 G C 1.402 176.311 174.900 0.014 0.000 1.162 19 G CA 0.778 45.892 45.100 0.023 0.000 0.777 19 G HN 0.370 nan 8.290 nan 0.000 0.539 20 V N 0.107 120.030 119.914 0.015 0.000 2.809 20 V HA -0.042 4.077 4.120 -0.000 0.000 0.256 20 V C 2.065 178.164 176.094 0.008 0.000 1.080 20 V CA 1.989 64.295 62.300 0.010 0.000 1.102 20 V CB -0.467 31.363 31.823 0.012 0.000 0.705 20 V HN 0.199 nan 8.190 nan 0.000 0.475 21 N N 0.822 119.527 118.700 0.008 0.000 2.188 21 N HA -0.068 4.671 4.740 -0.000 0.000 0.184 21 N C 1.783 177.296 175.510 0.004 0.000 1.018 21 N CA 1.743 54.796 53.050 0.006 0.000 0.858 21 N CB -0.263 38.228 38.487 0.006 0.000 0.989 21 N HN 0.516 nan 8.380 nan 0.000 0.426 22 V N 1.555 121.471 119.914 0.004 0.000 2.307 22 V HA -0.171 3.948 4.120 -0.000 0.000 0.245 22 V C 2.406 178.499 176.094 -0.002 0.000 1.045 22 V CA 1.004 63.304 62.300 0.001 0.000 1.024 22 V CB -0.572 31.252 31.823 0.002 0.000 0.651 22 V HN 0.182 nan 8.190 nan 0.000 0.449 23 L N 1.125 122.347 121.223 -0.001 0.000 1.994 23 L HA -0.106 4.233 4.340 -0.000 0.000 0.208 23 L C 2.462 179.330 176.870 -0.004 0.000 1.071 23 L CA 2.565 57.402 54.840 -0.005 0.000 0.745 23 L CB -1.054 41.002 42.059 -0.005 0.000 0.892 23 L HN 0.204 nan 8.230 nan 0.000 0.431 24 A N -0.695 122.124 122.820 -0.001 0.000 1.877 24 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 24 A C 2.000 179.583 177.584 -0.002 0.000 1.186 24 A CA 1.930 53.966 52.037 -0.001 0.000 0.620 24 A CB -0.996 18.005 19.000 0.002 0.000 0.822 24 A HN 0.585 nan 8.150 nan 0.000 0.443 25 D N 0.106 120.506 120.400 -0.001 0.000 2.144 25 D HA -0.058 4.582 4.640 -0.000 0.000 0.199 25 D C 2.165 178.463 176.300 -0.003 0.000 0.984 25 D CA 1.519 55.518 54.000 -0.002 0.000 0.834 25 D CB -0.434 40.365 40.800 -0.001 0.000 0.955 25 D HN 0.446 nan 8.370 nan 0.000 0.465 26 A N 0.400 123.218 122.820 -0.005 0.000 1.930 26 A HA -0.081 4.238 4.320 -0.000 0.000 0.217 26 A C 2.482 180.061 177.584 -0.008 0.000 1.175 26 A CA 0.948 52.981 52.037 -0.007 0.000 0.627 26 A CB -0.492 18.503 19.000 -0.009 0.000 0.815 26 A HN 0.151 nan 8.150 nan 0.000 0.443 27 V N 1.053 120.962 119.914 -0.008 0.000 2.446 27 V HA -0.197 3.923 4.120 -0.000 0.000 0.244 27 V C 2.450 178.540 176.094 -0.007 0.000 1.039 27 V CA 2.052 64.347 62.300 -0.009 0.000 1.045 27 V CB -0.560 31.256 31.823 -0.010 0.000 0.681 27 V HN 0.840 nan 8.190 nan 0.000 0.459 28 K N 1.464 121.862 120.400 -0.005 0.000 2.442 28 K HA -0.093 4.227 4.320 -0.000 0.000 0.198 28 K C 1.728 178.327 176.600 -0.003 0.000 1.042 28 K CA 1.635 57.920 56.287 -0.003 0.000 0.958 28 K CB -0.603 31.896 32.500 -0.001 0.000 0.766 28 K HN 0.487 nan 8.250 nan 0.000 0.474 29 V N -0.300 119.612 119.914 -0.004 0.000 3.141 29 V HA -0.078 4.042 4.120 -0.000 0.000 0.265 29 V C 1.655 177.746 176.094 -0.004 0.000 1.126 29 V CA 1.410 63.709 62.300 -0.003 0.000 1.141 29 V CB -0.942 30.879 31.823 -0.004 0.000 0.743 29 V HN 0.491 nan 8.190 nan 0.000 0.492 30 T N -1.555 112.996 114.554 -0.006 0.000 3.264 30 T HA 0.495 4.845 4.350 -0.000 0.000 0.257 30 T C -0.206 174.489 174.700 -0.008 0.000 0.976 30 T CA -0.316 61.780 62.100 -0.007 0.000 0.908 30 T CB -0.115 68.747 68.868 -0.010 0.000 1.082 30 T HN 0.265 nan 8.240 nan 0.000 0.567 31 L N 1.939 123.159 121.223 -0.005 0.000 2.307 31 L HA 0.769 5.109 4.340 -0.000 0.000 0.284 31 L C 0.661 177.529 176.870 -0.003 0.000 1.023 31 L CA 0.924 55.762 54.840 -0.005 0.000 0.810 31 L CB 0.723 42.781 42.059 -0.002 0.000 1.231 31 L HN 0.689 nan 8.230 nan 0.000 0.423 32 G N 4.741 113.537 108.800 -0.007 0.000 2.756 32 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.678 32 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.678 32 G C -1.973 172.919 174.900 -0.014 0.000 1.349 32 G CA -0.316 44.779 45.100 -0.009 0.000 0.847 32 G HN 0.565 nan 8.290 nan 0.000 0.548 33 P HA -0.034 nan 4.420 nan 0.000 0.221 33 P C 0.856 178.145 177.300 -0.018 0.000 1.145 33 P CA 1.273 64.358 63.100 -0.026 0.000 0.795 33 P CB 0.110 31.784 31.700 -0.043 0.000 0.775 34 K N 0.276 120.670 120.400 -0.011 0.000 2.576 34 K HA 0.262 4.581 4.320 -0.000 0.000 0.209 34 K C 1.047 177.645 176.600 -0.003 0.000 1.049 34 K CA -0.221 56.063 56.287 -0.005 0.000 1.140 34 K CB 0.274 32.775 32.500 0.002 0.000 0.871 34 K HN 0.058 nan 8.250 nan 0.000 0.479 35 G N 1.549 110.346 108.800 -0.005 0.000 2.484 35 G HA2 0.044 4.004 3.960 -0.000 0.000 0.235 35 G HA3 0.044 4.004 3.960 -0.000 0.000 0.235 35 G C 0.254 175.151 174.900 -0.005 0.000 1.282 35 G CA -0.334 44.763 45.100 -0.005 0.000 0.857 35 G HN 0.075 nan 8.290 nan 0.000 0.571 36 R N 0.647 121.145 120.500 -0.004 0.000 2.541 36 R HA 0.224 4.564 4.340 -0.000 0.000 0.263 36 R C 0.043 176.339 176.300 -0.005 0.000 1.112 36 R CA -0.704 55.394 56.100 -0.004 0.000 1.170 36 R CB 0.250 30.548 30.300 -0.003 0.000 1.167 36 R HN 0.650 nan 8.270 nan 0.000 0.582 37 N N -0.985 117.712 118.700 -0.005 0.000 2.473 37 N HA 0.338 5.078 4.740 -0.000 0.000 0.291 37 N C -1.064 174.443 175.510 -0.006 0.000 1.083 37 N CA -0.489 52.558 53.050 -0.006 0.000 0.951 37 N CB 1.601 40.085 38.487 -0.005 0.000 1.164 37 N HN 0.062 nan 8.380 nan 0.000 0.480 38 V N 2.138 122.048 119.914 -0.007 0.000 2.495 38 V HA 0.339 4.459 4.120 -0.000 0.000 0.298 38 V C -0.375 175.714 176.094 -0.008 0.000 1.031 38 V CA -0.793 61.502 62.300 -0.008 0.000 0.871 38 V CB 1.815 33.632 31.823 -0.010 0.000 0.988 38 V HN 0.333 nan 8.190 nan 0.000 0.432 39 V N 6.450 126.359 119.914 -0.008 0.000 2.364 39 V HA 0.427 4.547 4.120 -0.000 0.000 0.272 39 V C -0.128 175.959 176.094 -0.011 0.000 1.036 39 V CA -0.384 61.911 62.300 -0.008 0.000 0.880 39 V CB 1.247 33.066 31.823 -0.007 0.000 0.991 39 V HN 0.600 nan 8.190 nan 0.000 0.460 40 L N 3.974 125.191 121.223 -0.011 0.000 2.280 40 L HA 0.497 4.837 4.340 -0.000 0.000 0.287 40 L C -0.155 176.706 176.870 -0.015 0.000 1.023 40 L CA -0.536 54.295 54.840 -0.015 0.000 0.819 40 L CB 1.550 43.600 42.059 -0.016 0.000 1.212 40 L HN 0.536 nan 8.230 nan 0.000 0.420 41 D N 3.438 123.826 120.400 -0.021 0.000 2.350 41 D HA 0.219 4.859 4.640 -0.000 0.000 0.249 41 D C -0.595 175.684 176.300 -0.035 0.000 1.119 41 D CA 0.133 54.117 54.000 -0.026 0.000 0.886 41 D CB 0.929 41.710 40.800 -0.031 0.000 1.195 41 D HN 0.324 nan 8.370 nan 0.000 0.437 42 K N 1.239 121.619 120.400 -0.033 0.000 2.292 42 K HA 0.223 4.543 4.320 -0.000 0.000 0.257 42 K C 1.181 177.724 176.600 -0.095 0.000 0.940 42 K CA -0.582 55.678 56.287 -0.045 0.000 0.811 42 K CB 1.672 34.176 32.500 0.007 0.000 1.120 42 K HN 0.369 nan 8.250 nan 0.000 0.428 43 S N 1.837 117.406 115.700 -0.219 0.000 2.402 43 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 43 S C 0.445 174.820 174.600 -0.375 0.000 1.030 43 S CA 0.998 58.965 58.200 -0.388 0.000 1.003 43 S CB -0.344 62.456 63.200 -0.667 0.000 0.813 43 S HN 0.386 nan 8.310 nan 0.000 0.477 44 F N 2.727 122.674 119.950 -0.004 0.000 2.388 44 F HA 0.675 5.202 4.527 -0.000 0.000 0.358 44 F C 1.288 177.086 175.800 -0.004 0.000 1.122 44 F CA -0.274 57.723 58.000 -0.004 0.000 1.056 44 F CB 0.865 39.863 39.000 -0.003 0.000 1.155 44 F HN 0.463 nan 8.300 nan 0.000 0.461 45 G N 1.650 110.564 108.800 0.190 0.000 2.512 45 G HA2 0.145 4.105 3.960 -0.000 0.000 0.240 45 G HA3 0.145 4.105 3.960 -0.000 0.000 0.240 45 G C -0.561 174.374 174.900 0.059 0.000 1.246 45 G CA -0.501 44.660 45.100 0.103 0.000 0.919 45 G HN 1.048 nan 8.290 nan 0.000 0.577 46 A N 1.002 123.848 122.820 0.043 0.000 2.302 46 A HA 0.815 5.135 4.320 -0.000 0.000 0.285 46 A C -1.497 176.099 177.584 0.020 0.000 1.105 46 A CA -0.294 51.758 52.037 0.026 0.000 0.816 46 A CB 0.222 19.234 19.000 0.019 0.000 1.067 46 A HN 0.683 nan 8.150 nan 0.000 0.489 47 P HA 0.277 nan 4.420 nan 0.000 0.273 47 P C -0.357 176.946 177.300 0.005 0.000 1.250 47 P CA 0.026 63.128 63.100 0.004 0.000 0.793 47 P CB 0.433 32.132 31.700 -0.001 0.000 1.011 48 T N 1.259 115.813 114.554 0.001 0.000 2.771 48 T HA 0.519 4.869 4.350 -0.000 0.000 0.281 48 T C 0.130 174.828 174.700 -0.003 0.000 0.982 48 T CA -0.271 61.830 62.100 0.001 0.000 0.978 48 T CB 0.050 68.918 68.868 -0.001 0.000 0.930 48 T HN 0.154 nan 8.240 nan 0.000 0.447 49 I N 2.666 123.234 120.570 -0.002 0.000 2.377 49 I HA 0.558 4.727 4.170 -0.000 0.000 0.293 49 I C 0.446 176.560 176.117 -0.005 0.000 0.987 49 I CA -0.490 60.807 61.300 -0.004 0.000 1.185 49 I CB 1.843 39.841 38.000 -0.003 0.000 1.341 49 I HN 0.513 nan 8.210 nan 0.000 0.455 50 T N 4.341 118.891 114.554 -0.007 0.000 2.868 50 T HA 0.391 4.741 4.350 -0.000 0.000 0.306 50 T C -0.201 174.493 174.700 -0.009 0.000 1.224 50 T CA -0.597 61.498 62.100 -0.008 0.000 1.012 50 T CB 1.740 70.602 68.868 -0.010 0.000 1.221 50 T HN 0.676 nan 8.240 nan 0.000 0.499 51 K N 1.208 121.602 120.400 -0.010 0.000 2.469 51 K HA 0.196 4.515 4.320 -0.000 0.000 0.204 51 K C -0.714 175.878 176.600 -0.013 0.000 1.047 51 K CA -0.302 55.979 56.287 -0.011 0.000 1.072 51 K CB 0.558 33.052 32.500 -0.010 0.000 0.863 51 K HN 0.434 nan 8.250 nan 0.000 0.530 52 D N 0.419 120.811 120.400 -0.014 0.000 2.380 52 D HA 0.103 4.743 4.640 -0.000 0.000 0.230 52 D C 1.205 177.494 176.300 -0.019 0.000 1.154 52 D CA -0.123 53.867 54.000 -0.017 0.000 0.859 52 D CB 1.234 42.024 40.800 -0.018 0.000 1.045 52 D HN 0.208 nan 8.370 nan 0.000 0.495 53 G N 2.522 111.311 108.800 -0.019 0.000 2.475 53 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 53 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 53 G C 1.488 176.374 174.900 -0.024 0.000 1.125 53 G CA 0.737 45.826 45.100 -0.019 0.000 0.755 53 G HN 0.487 nan 8.290 nan 0.000 0.565 54 V N 0.871 120.769 119.914 -0.027 0.000 2.427 54 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 54 V C 3.065 179.141 176.094 -0.030 0.000 1.051 54 V CA 2.109 64.390 62.300 -0.032 0.000 1.048 54 V CB -0.338 31.463 31.823 -0.036 0.000 0.666 54 V HN 0.370 nan 8.190 nan 0.000 0.456 55 S N 0.012 115.697 115.700 -0.026 0.000 2.355 55 S HA -0.158 4.312 4.470 -0.000 0.000 0.222 55 S C 2.053 176.638 174.600 -0.025 0.000 1.031 55 S CA 1.481 59.666 58.200 -0.025 0.000 0.993 55 S CB -0.236 62.952 63.200 -0.020 0.000 0.859 55 S HN 0.375 nan 8.310 nan 0.000 0.453 56 V N 2.387 122.287 119.914 -0.022 0.000 2.255 56 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 56 V C 2.737 178.817 176.094 -0.023 0.000 1.051 56 V CA 1.842 64.130 62.300 -0.020 0.000 1.018 56 V CB -1.375 30.438 31.823 -0.017 0.000 0.641 56 V HN 0.549 nan 8.190 nan 0.000 0.445 57 A N -0.455 122.351 122.820 -0.024 0.000 1.917 57 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 57 A C 2.399 179.964 177.584 -0.031 0.000 1.182 57 A CA 2.224 54.245 52.037 -0.026 0.000 0.633 57 A CB -0.670 18.314 19.000 -0.028 0.000 0.819 57 A HN 0.468 nan 8.150 nan 0.000 0.448 58 R N -0.651 119.828 120.500 -0.035 0.000 2.117 58 R HA -0.154 4.186 4.340 -0.000 0.000 0.243 58 R C 1.634 177.909 176.300 -0.041 0.000 1.143 58 R CA 1.575 57.650 56.100 -0.042 0.000 0.968 58 R CB -0.179 30.093 30.300 -0.045 0.000 0.863 58 R HN 0.518 nan 8.270 nan 0.000 0.444 59 E N 0.125 120.304 120.200 -0.035 0.000 2.427 59 E HA -0.037 4.313 4.350 -0.000 0.000 0.196 59 E C 0.306 176.888 176.600 -0.030 0.000 1.028 59 E CA 0.295 56.675 56.400 -0.033 0.000 0.864 59 E CB 0.140 29.823 29.700 -0.029 0.000 0.813 59 E HN 0.211 nan 8.360 nan 0.000 0.514 60 I N 2.026 122.580 120.570 -0.027 0.000 2.436 60 I HA 0.128 4.298 4.170 -0.000 0.000 0.289 60 I C 0.338 176.441 176.117 -0.023 0.000 1.083 60 I CA 0.204 61.491 61.300 -0.023 0.000 1.372 60 I CB 0.112 38.101 38.000 -0.019 0.000 1.408 60 I HN -0.069 nan 8.210 nan 0.000 0.516 61 E N 7.071 127.257 120.200 -0.022 0.000 2.291 61 E HA 0.487 4.837 4.350 -0.000 0.000 0.276 61 E C -1.632 174.956 176.600 -0.019 0.000 0.896 61 E CA -0.595 55.792 56.400 -0.023 0.000 0.774 61 E CB 1.954 31.638 29.700 -0.026 0.000 1.227 61 E HN 0.438 nan 8.360 nan 0.000 0.413 62 L N 3.444 124.658 121.223 -0.016 0.000 2.334 62 L HA 0.374 4.714 4.340 -0.000 0.000 0.275 62 L C 1.506 178.367 176.870 -0.014 0.000 1.036 62 L CA -0.424 54.409 54.840 -0.011 0.000 0.807 62 L CB 1.469 43.528 42.059 -0.001 0.000 1.231 62 L HN 0.744 nan 8.230 nan 0.000 0.438 63 E N 0.942 121.136 120.200 -0.010 0.000 2.072 63 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 63 E C 0.545 177.139 176.600 -0.010 0.000 0.985 63 E CA 0.519 56.912 56.400 -0.012 0.000 0.801 63 E CB 0.263 29.959 29.700 -0.007 0.000 0.750 63 E HN 0.677 nan 8.360 nan 0.000 0.452 64 D N 0.654 121.058 120.400 0.008 0.000 2.401 64 D HA -0.066 4.574 4.640 -0.000 0.000 0.254 64 D C 0.670 176.967 176.300 -0.006 0.000 1.192 64 D CA 0.015 54.032 54.000 0.028 0.000 0.885 64 D CB 0.957 41.798 40.800 0.068 0.000 1.147 64 D HN 0.012 nan 8.370 nan 0.000 0.478 65 K N 3.655 124.007 120.400 -0.079 0.000 2.074 65 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 65 K C 1.935 178.391 176.600 -0.240 0.000 1.048 65 K CA 1.254 57.412 56.287 -0.215 0.000 0.926 65 K CB -0.452 31.816 32.500 -0.386 0.000 0.713 65 K HN 0.501 nan 8.250 nan 0.000 0.444 66 F N 1.709 121.646 119.950 -0.021 0.000 2.113 66 F HA -0.096 4.431 4.527 -0.000 0.000 0.297 66 F C 2.463 178.251 175.800 -0.019 0.000 1.103 66 F CA 1.193 59.178 58.000 -0.025 0.000 1.248 66 F CB -0.571 38.413 39.000 -0.026 0.000 0.999 66 F HN 0.128 nan 8.300 nan 0.000 0.475 67 E N -0.054 120.249 120.200 0.172 0.000 2.118 67 E HA -0.280 4.069 4.350 -0.000 0.000 0.195 67 E C 1.859 178.486 176.600 0.045 0.000 0.992 67 E CA 1.425 57.879 56.400 0.090 0.000 0.804 67 E CB -0.381 29.358 29.700 0.066 0.000 0.741 67 E HN 0.330 nan 8.360 nan 0.000 0.458 68 N N 0.474 119.185 118.700 0.018 0.000 2.166 68 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 68 N C 1.724 177.228 175.510 -0.011 0.000 1.019 68 N CA 1.161 54.206 53.050 -0.008 0.000 0.856 68 N CB 0.013 38.480 38.487 -0.033 0.000 0.993 68 N HN 0.072 nan 8.380 nan 0.000 0.426 69 M N -0.812 118.781 119.600 -0.012 0.000 2.159 69 M HA -0.024 4.456 4.480 -0.000 0.000 0.263 69 M C 2.100 178.407 176.300 0.013 0.000 1.063 69 M CA 1.590 56.885 55.300 -0.009 0.000 1.110 69 M CB -0.401 32.194 32.600 -0.008 0.000 1.374 69 M HN 0.328 nan 8.290 nan 0.000 0.411 70 G N -0.273 108.545 108.800 0.030 0.000 2.402 70 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.216 70 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.216 70 G C 1.607 176.516 174.900 0.015 0.000 1.162 70 G CA 0.909 46.026 45.100 0.028 0.000 0.777 70 G HN 0.534 nan 8.290 nan 0.000 0.539 71 A N 0.092 122.917 122.820 0.010 0.000 1.873 71 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 71 A C 2.404 179.985 177.584 -0.005 0.000 1.186 71 A CA 1.911 53.949 52.037 0.002 0.000 0.616 71 A CB -0.385 18.614 19.000 -0.002 0.000 0.823 71 A HN 0.285 nan 8.150 nan 0.000 0.442 72 Q N -0.484 119.311 119.800 -0.008 0.000 2.170 72 Q HA -0.125 4.215 4.340 -0.000 0.000 0.203 72 Q C 2.118 178.112 176.000 -0.009 0.000 0.976 72 Q CA 1.511 57.306 55.803 -0.013 0.000 0.858 72 Q CB -0.573 28.154 28.738 -0.017 0.000 0.907 72 Q HN 0.778 nan 8.270 nan 0.000 0.433 73 M N -0.181 119.418 119.600 -0.002 0.000 2.067 73 M HA -0.138 4.342 4.480 -0.000 0.000 0.260 73 M C 2.285 178.587 176.300 0.003 0.000 1.069 73 M CA 1.643 56.945 55.300 0.003 0.000 1.117 73 M CB -0.481 32.126 32.600 0.012 0.000 1.334 73 M HN 0.196 nan 8.290 nan 0.000 0.407 74 V N -1.000 118.917 119.914 0.004 0.000 2.548 74 V HA -0.172 3.948 4.120 -0.000 0.000 0.249 74 V C 2.059 178.147 176.094 -0.011 0.000 1.055 74 V CA 1.727 64.030 62.300 0.005 0.000 1.065 74 V CB -0.718 31.111 31.823 0.010 0.000 0.681 74 V HN 0.441 nan 8.190 nan 0.000 0.462 75 K N 0.071 120.461 120.400 -0.015 0.000 2.063 75 K HA -0.253 4.067 4.320 -0.000 0.000 0.208 75 K C 2.378 178.953 176.600 -0.041 0.000 1.048 75 K CA 2.167 58.438 56.287 -0.027 0.000 0.928 75 K CB -0.261 32.224 32.500 -0.024 0.000 0.713 75 K HN 0.702 nan 8.250 nan 0.000 0.442 76 E N -0.019 120.159 120.200 -0.036 0.000 2.072 76 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 76 E C 1.889 178.439 176.600 -0.083 0.000 0.985 76 E CA 1.149 57.520 56.400 -0.048 0.000 0.801 76 E CB 0.221 29.904 29.700 -0.028 0.000 0.750 76 E HN 0.140 nan 8.360 nan 0.000 0.452 77 V N 1.061 120.935 119.914 -0.067 0.000 2.379 77 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 77 V C 2.438 178.410 176.094 -0.203 0.000 1.044 77 V CA 1.585 63.824 62.300 -0.103 0.000 1.036 77 V CB -0.581 31.257 31.823 0.025 0.000 0.664 77 V HN 0.328 nan 8.190 nan 0.000 0.453 78 A N 0.715 123.472 122.820 -0.104 0.000 1.972 78 A HA -0.213 4.106 4.320 -0.000 0.000 0.219 78 A C 2.563 180.053 177.584 -0.156 0.000 1.169 78 A CA 2.133 54.112 52.037 -0.097 0.000 0.635 78 A CB -0.743 18.233 19.000 -0.040 0.000 0.810 78 A HN 0.675 nan 8.150 nan 0.000 0.446 79 S N 0.135 115.746 115.700 -0.149 0.000 2.400 79 S HA -0.221 4.249 4.470 -0.000 0.000 0.232 79 S C 1.815 176.292 174.600 -0.206 0.000 1.025 79 S CA 1.609 59.726 58.200 -0.137 0.000 0.993 79 S CB -0.438 62.704 63.200 -0.097 0.000 0.808 79 S HN 0.617 nan 8.310 nan 0.000 0.478 80 K N 1.405 121.589 120.400 -0.361 0.000 2.147 80 K HA 0.052 4.371 4.320 -0.000 0.000 0.205 80 K C 2.520 178.827 176.600 -0.488 0.000 1.049 80 K CA 1.095 57.069 56.287 -0.522 0.000 0.936 80 K CB -0.550 31.382 32.500 -0.947 0.000 0.722 80 K HN 0.542 nan 8.250 nan 0.000 0.446 81 A N 1.748 124.306 122.820 -0.436 0.000 1.877 81 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 81 A C 1.927 179.484 177.584 -0.045 0.000 1.186 81 A CA 1.957 53.953 52.037 -0.067 0.000 0.620 81 A CB -0.673 18.348 19.000 0.035 0.000 0.822 81 A HN 0.277 nan 8.150 nan 0.000 0.443 82 N N 0.059 118.703 118.700 -0.092 0.000 2.120 82 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 82 N C 1.236 176.683 175.510 -0.106 0.000 1.024 82 N CA 1.621 54.610 53.050 -0.101 0.000 0.852 82 N CB -0.189 38.239 38.487 -0.098 0.000 1.003 82 N HN 0.427 nan 8.380 nan 0.000 0.424 83 D N -0.088 120.264 120.400 -0.079 0.000 2.117 83 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 83 D C 1.759 178.082 176.300 0.038 0.000 0.987 83 D CA 1.268 55.251 54.000 -0.028 0.000 0.829 83 D CB -0.467 40.306 40.800 -0.045 0.000 0.961 83 D HN 0.365 nan 8.370 nan 0.000 0.460 84 A N 0.580 123.426 122.820 0.043 0.000 1.873 84 A HA 0.131 4.450 4.320 -0.000 0.000 0.215 84 A C 2.035 179.700 177.584 0.135 0.000 1.186 84 A CA 2.049 54.153 52.037 0.112 0.000 0.616 84 A CB -0.168 18.941 19.000 0.180 0.000 0.823 84 A HN 0.248 nan 8.150 nan 0.000 0.442 85 A N -2.786 120.083 122.820 0.081 0.000 2.545 85 A HA 0.479 4.799 4.320 -0.000 0.000 0.263 85 A C 1.496 179.043 177.584 -0.062 0.000 1.202 85 A CA 0.962 53.047 52.037 0.081 0.000 0.959 85 A CB -0.370 18.669 19.000 0.065 0.000 1.124 85 A HN 1.897 nan 8.150 nan 0.000 0.543 86 G N -0.602 107.992 108.800 -0.344 0.000 2.148 86 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.254 86 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.254 86 G C -0.160 174.561 174.900 -0.298 0.000 0.981 86 G CA 0.726 45.389 45.100 -0.728 0.000 0.670 86 G HN 0.945 nan 8.290 nan 0.000 0.528 87 D N -3.343 116.964 120.400 -0.155 0.000 2.807 87 D HA 0.565 5.205 4.640 -0.000 0.000 0.279 87 D C 0.845 177.121 176.300 -0.041 0.000 1.247 87 D CA 1.515 55.464 54.000 -0.085 0.000 0.749 87 D CB 0.083 40.846 40.800 -0.061 0.000 1.264 87 D HN 1.429 nan 8.370 nan 0.000 0.421 88 G N -0.327 108.457 108.800 -0.026 0.000 2.179 88 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 88 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 88 G C 1.105 176.002 174.900 -0.005 0.000 0.990 88 G CA 0.871 45.968 45.100 -0.004 0.000 0.646 88 G HN 0.568 nan 8.290 nan 0.000 0.517 89 T N 0.992 115.530 114.554 -0.026 0.000 2.674 89 T HA -0.095 4.255 4.350 -0.000 0.000 0.265 89 T C 2.609 177.299 174.700 -0.017 0.000 1.039 89 T CA 2.522 64.603 62.100 -0.031 0.000 1.150 89 T CB -0.428 68.411 68.868 -0.047 0.000 0.864 89 T HN 0.459 nan 8.240 nan 0.000 0.427 90 T N 1.705 116.249 114.554 -0.017 0.000 2.684 90 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 90 T C 2.230 176.929 174.700 -0.002 0.000 1.036 90 T CA 1.782 63.875 62.100 -0.011 0.000 1.148 90 T CB -0.780 68.081 68.868 -0.012 0.000 0.863 90 T HN 0.420 nan 8.240 nan 0.000 0.436 91 T N 2.211 116.766 114.554 0.002 0.000 2.652 91 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 91 T C 2.412 177.123 174.700 0.018 0.000 1.039 91 T CA 1.370 63.476 62.100 0.010 0.000 1.153 91 T CB -0.767 68.109 68.868 0.013 0.000 0.863 91 T HN 0.451 nan 8.240 nan 0.000 0.428 92 A N 1.345 124.181 122.820 0.026 0.000 1.917 92 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 92 A C 2.559 180.161 177.584 0.029 0.000 1.182 92 A CA 2.406 54.468 52.037 0.042 0.000 0.633 92 A CB -1.412 17.623 19.000 0.058 0.000 0.819 92 A HN 0.526 nan 8.150 nan 0.000 0.448 93 T N -0.479 114.084 114.554 0.014 0.000 2.674 93 T HA -0.138 4.212 4.350 -0.000 0.000 0.265 93 T C 2.002 176.708 174.700 0.010 0.000 1.039 93 T CA 1.967 64.072 62.100 0.009 0.000 1.150 93 T CB -0.802 68.066 68.868 -0.001 0.000 0.864 93 T HN 0.716 nan 8.240 nan 0.000 0.427 94 V N 0.802 120.721 119.914 0.009 0.000 2.515 94 V HA -0.018 4.101 4.120 -0.000 0.000 0.250 94 V C 2.159 178.260 176.094 0.012 0.000 1.058 94 V CA 1.388 63.693 62.300 0.008 0.000 1.064 94 V CB -0.917 30.910 31.823 0.006 0.000 0.675 94 V HN 0.472 nan 8.190 nan 0.000 0.461 95 L N 0.563 121.796 121.223 0.016 0.000 2.027 95 L HA -0.014 4.326 4.340 -0.000 0.000 0.206 95 L C 3.063 179.945 176.870 0.020 0.000 1.074 95 L CA 1.698 56.549 54.840 0.019 0.000 0.745 95 L CB -0.934 41.140 42.059 0.024 0.000 0.898 95 L HN 0.444 nan 8.230 nan 0.000 0.433 96 A N -0.461 122.373 122.820 0.024 0.000 1.908 96 A HA -0.312 4.008 4.320 -0.000 0.000 0.218 96 A C 2.256 179.850 177.584 0.018 0.000 1.181 96 A CA 2.054 54.106 52.037 0.024 0.000 0.627 96 A CB -0.653 18.363 19.000 0.027 0.000 0.818 96 A HN 0.525 nan 8.150 nan 0.000 0.445 97 Q N -0.564 119.245 119.800 0.014 0.000 2.084 97 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 97 Q C 2.181 178.187 176.000 0.010 0.000 0.978 97 Q CA 1.708 57.517 55.803 0.011 0.000 0.844 97 Q CB -0.364 28.379 28.738 0.008 0.000 0.898 97 Q HN 0.598 nan 8.270 nan 0.000 0.426 98 A N 0.851 123.677 122.820 0.010 0.000 1.877 98 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 98 A C 2.002 179.592 177.584 0.010 0.000 1.186 98 A CA 1.447 53.489 52.037 0.009 0.000 0.620 98 A CB -0.655 18.351 19.000 0.009 0.000 0.822 98 A HN 0.494 nan 8.150 nan 0.000 0.443 99 I N -0.507 120.070 120.570 0.012 0.000 2.202 99 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 99 I C 2.318 178.442 176.117 0.012 0.000 1.091 99 I CA 1.251 62.558 61.300 0.012 0.000 1.368 99 I CB -0.378 37.631 38.000 0.015 0.000 1.058 99 I HN 0.286 nan 8.210 nan 0.000 0.410 100 I N 0.444 121.022 120.570 0.013 0.000 2.179 100 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 100 I C 2.594 178.717 176.117 0.010 0.000 1.088 100 I CA 1.547 62.855 61.300 0.013 0.000 1.357 100 I CB -0.599 37.409 38.000 0.014 0.000 1.051 100 I HN 0.240 nan 8.210 nan 0.000 0.409 101 T N 0.259 114.818 114.554 0.009 0.000 2.622 101 T HA -0.180 4.169 4.350 -0.000 0.000 0.266 101 T C 1.840 176.543 174.700 0.006 0.000 1.047 101 T CA 1.400 63.504 62.100 0.007 0.000 1.159 101 T CB -0.197 68.675 68.868 0.006 0.000 0.863 101 T HN 0.280 nan 8.240 nan 0.000 0.422 102 E N 0.623 120.827 120.200 0.006 0.000 2.106 102 E HA -0.007 4.342 4.350 -0.000 0.000 0.192 102 E C 2.546 179.150 176.600 0.006 0.000 0.984 102 E CA 1.004 57.407 56.400 0.006 0.000 0.806 102 E CB -0.899 28.804 29.700 0.006 0.000 0.750 102 E HN 0.568 nan 8.360 nan 0.000 0.458 103 G N 1.423 110.227 108.800 0.007 0.000 2.446 103 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 103 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 103 G C 1.729 176.633 174.900 0.007 0.000 1.168 103 G CA 0.612 45.717 45.100 0.008 0.000 0.771 103 G HN 0.193 nan 8.290 nan 0.000 0.551 104 L N -0.186 121.041 121.223 0.007 0.000 2.093 104 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 104 L C 2.966 179.839 176.870 0.005 0.000 1.085 104 L CA 1.068 55.912 54.840 0.007 0.000 0.755 104 L CB -0.320 41.743 42.059 0.006 0.000 0.904 104 L HN 0.198 nan 8.230 nan 0.000 0.435 105 K N 0.237 120.639 120.400 0.004 0.000 2.032 105 K HA -0.176 4.143 4.320 -0.000 0.000 0.209 105 K C 2.267 178.869 176.600 0.003 0.000 1.048 105 K CA 1.479 57.767 56.287 0.003 0.000 0.927 105 K CB -0.272 32.230 32.500 0.003 0.000 0.712 105 K HN 0.276 nan 8.250 nan 0.000 0.441 106 A N 1.035 123.857 122.820 0.004 0.000 1.908 106 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 106 A C 2.372 179.958 177.584 0.005 0.000 1.181 106 A CA 1.611 53.650 52.037 0.004 0.000 0.627 106 A CB -0.738 18.265 19.000 0.005 0.000 0.818 106 A HN 0.092 nan 8.150 nan 0.000 0.445 107 V N -0.225 119.692 119.914 0.006 0.000 2.343 107 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 107 V C 3.044 179.141 176.094 0.005 0.000 1.051 107 V CA 1.969 64.273 62.300 0.006 0.000 1.036 107 V CB -1.207 30.621 31.823 0.008 0.000 0.654 107 V HN 0.629 nan 8.190 nan 0.000 0.451 108 A N -0.018 122.804 122.820 0.004 0.000 1.933 108 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 108 A C 2.308 179.893 177.584 0.002 0.000 1.175 108 A CA 1.775 53.813 52.037 0.003 0.000 0.628 108 A CB -0.657 18.344 19.000 0.002 0.000 0.814 108 A HN 0.594 nan 8.150 nan 0.000 0.444 109 A N -1.892 120.929 122.820 0.002 0.000 2.216 109 A HA 0.358 4.677 4.320 -0.000 0.000 0.214 109 A C 1.837 179.422 177.584 0.002 0.000 1.160 109 A CA 1.447 53.485 52.037 0.002 0.000 0.725 109 A CB -0.883 18.118 19.000 0.002 0.000 0.784 109 A HN 1.896 nan 8.150 nan 0.000 0.472 110 G N -2.342 106.459 108.800 0.002 0.000 2.163 110 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.213 110 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.213 110 G C 0.171 175.073 174.900 0.003 0.000 0.991 110 G CA 0.140 45.241 45.100 0.003 0.000 0.653 110 G HN 0.367 nan 8.290 nan 0.000 0.518 111 M N 0.792 120.394 119.600 0.004 0.000 2.241 111 M HA 0.235 4.715 4.480 -0.000 0.000 0.335 111 M C 0.728 177.032 176.300 0.005 0.000 1.122 111 M CA -0.442 54.860 55.300 0.004 0.000 1.164 111 M CB 0.427 33.029 32.600 0.004 0.000 1.459 111 M HN 0.177 nan 8.290 nan 0.000 0.461 112 N N 2.506 121.209 118.700 0.005 0.000 2.452 112 N HA 0.093 4.833 4.740 -0.000 0.000 0.266 112 N C -2.126 173.389 175.510 0.008 0.000 1.175 112 N CA -1.244 51.810 53.050 0.007 0.000 0.945 112 N CB 1.226 39.717 38.487 0.006 0.000 1.063 112 N HN 0.281 nan 8.380 nan 0.000 0.472 113 P HA -0.135 nan 4.420 nan 0.000 0.215 113 P C 1.654 178.960 177.300 0.010 0.000 1.157 113 P CA 1.441 64.548 63.100 0.011 0.000 0.874 113 P CB 0.212 31.920 31.700 0.014 0.000 0.790 114 M N -0.941 118.665 119.600 0.010 0.000 2.159 114 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 114 M C 1.512 177.816 176.300 0.007 0.000 1.063 114 M CA 1.640 56.945 55.300 0.009 0.000 1.110 114 M CB -1.715 30.890 32.600 0.009 0.000 1.374 114 M HN 0.001 nan 8.290 nan 0.000 0.411 115 D N 0.416 120.820 120.400 0.006 0.000 2.123 115 D HA -0.023 4.617 4.640 -0.000 0.000 0.200 115 D C 2.340 178.643 176.300 0.005 0.000 0.976 115 D CA 0.870 54.873 54.000 0.005 0.000 0.831 115 D CB -0.059 40.743 40.800 0.005 0.000 0.974 115 D HN 0.320 nan 8.370 nan 0.000 0.469 116 L N 0.888 122.115 121.223 0.006 0.000 2.042 116 L HA -0.198 4.141 4.340 -0.000 0.000 0.210 116 L C 2.562 179.435 176.870 0.006 0.000 1.076 116 L CA 1.225 56.069 54.840 0.006 0.000 0.749 116 L CB -0.325 41.738 42.059 0.007 0.000 0.893 116 L HN -0.000 nan 8.230 nan 0.000 0.432 117 K N 0.393 120.797 120.400 0.007 0.000 2.026 117 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 117 K C 2.325 178.927 176.600 0.004 0.000 1.048 117 K CA 1.381 57.672 56.287 0.007 0.000 0.929 117 K CB -0.058 32.447 32.500 0.008 0.000 0.713 117 K HN 0.055 nan 8.250 nan 0.000 0.439 118 R N -0.193 120.309 120.500 0.004 0.000 2.091 118 R HA -0.113 4.227 4.340 -0.000 0.000 0.238 118 R C 2.312 178.613 176.300 0.001 0.000 1.136 118 R CA 1.817 57.918 56.100 0.002 0.000 0.959 118 R CB -0.571 29.730 30.300 0.002 0.000 0.856 118 R HN 0.445 nan 8.270 nan 0.000 0.437 119 G N 0.571 109.372 108.800 0.002 0.000 2.402 119 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 119 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 119 G C 1.435 176.336 174.900 0.002 0.000 1.162 119 G CA 0.798 45.900 45.100 0.002 0.000 0.777 119 G HN 0.256 nan 8.290 nan 0.000 0.539 120 I N 1.052 121.623 120.570 0.003 0.000 2.163 120 I HA -0.164 4.006 4.170 -0.000 0.000 0.243 120 I C 2.314 178.431 176.117 -0.001 0.000 1.085 120 I CA 1.312 62.613 61.300 0.002 0.000 1.347 120 I CB -0.196 37.807 38.000 0.004 0.000 1.044 120 I HN 0.077 nan 8.210 nan 0.000 0.408 121 D N 0.788 121.187 120.400 -0.002 0.000 2.117 121 D HA -0.216 4.424 4.640 -0.000 0.000 0.197 121 D C 2.059 178.355 176.300 -0.007 0.000 0.987 121 D CA 1.231 55.227 54.000 -0.007 0.000 0.829 121 D CB -0.224 40.572 40.800 -0.007 0.000 0.961 121 D HN 0.297 nan 8.370 nan 0.000 0.460 122 K N 0.844 121.241 120.400 -0.004 0.000 2.032 122 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 122 K C 2.063 178.661 176.600 -0.003 0.000 1.048 122 K CA 1.423 57.708 56.287 -0.004 0.000 0.927 122 K CB -0.070 32.429 32.500 -0.001 0.000 0.712 122 K HN 0.014 nan 8.250 nan 0.000 0.441 123 A N 0.547 123.366 122.820 -0.002 0.000 1.908 123 A HA -0.131 4.188 4.320 -0.000 0.000 0.218 123 A C 2.251 179.834 177.584 -0.002 0.000 1.181 123 A CA 1.815 53.852 52.037 -0.000 0.000 0.627 123 A CB -0.705 18.296 19.000 0.002 0.000 0.818 123 A HN 0.195 nan 8.150 nan 0.000 0.445 124 V N -0.276 119.635 119.914 -0.005 0.000 2.343 124 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 124 V C 2.730 178.816 176.094 -0.013 0.000 1.051 124 V CA 2.421 64.715 62.300 -0.010 0.000 1.036 124 V CB -1.219 30.595 31.823 -0.015 0.000 0.654 124 V HN 0.622 nan 8.190 nan 0.000 0.451 125 T N 0.416 114.962 114.554 -0.013 0.000 2.746 125 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 125 T C 2.049 176.744 174.700 -0.009 0.000 1.039 125 T CA 1.597 63.689 62.100 -0.014 0.000 1.142 125 T CB -0.380 68.481 68.868 -0.012 0.000 0.866 125 T HN 0.570 nan 8.240 nan 0.000 0.444 126 A N 1.423 124.240 122.820 -0.005 0.000 1.898 126 A HA 0.247 4.567 4.320 -0.000 0.000 0.216 126 A C 2.665 180.248 177.584 -0.000 0.000 1.181 126 A CA 1.656 53.692 52.037 -0.001 0.000 0.620 126 A CB -1.102 17.898 19.000 0.001 0.000 0.819 126 A HN 0.490 nan 8.150 nan 0.000 0.442 127 A N -0.444 122.376 122.820 -0.001 0.000 1.908 127 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 127 A C 2.202 179.787 177.584 0.000 0.000 1.181 127 A CA 1.899 53.937 52.037 0.002 0.000 0.627 127 A CB -0.947 18.054 19.000 0.002 0.000 0.818 127 A HN 0.413 nan 8.150 nan 0.000 0.445 128 V N -0.327 119.583 119.914 -0.005 0.000 2.427 128 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 128 V C 2.549 178.641 176.094 -0.003 0.000 1.051 128 V CA 2.312 64.608 62.300 -0.008 0.000 1.048 128 V CB -0.659 31.153 31.823 -0.018 0.000 0.666 128 V HN 0.574 nan 8.190 nan 0.000 0.456 129 E N 0.156 120.355 120.200 -0.002 0.000 2.072 129 E HA -0.180 4.170 4.350 -0.000 0.000 0.190 129 E C 2.151 178.754 176.600 0.004 0.000 0.982 129 E CA 0.977 57.377 56.400 0.001 0.000 0.803 129 E CB -0.205 29.495 29.700 0.000 0.000 0.755 129 E HN 0.539 nan 8.360 nan 0.000 0.453 130 E N -0.437 119.766 120.200 0.006 0.000 2.153 130 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 130 E C 1.648 178.255 176.600 0.012 0.000 0.988 130 E CA 0.432 56.838 56.400 0.010 0.000 0.811 130 E CB -0.193 29.513 29.700 0.011 0.000 0.746 130 E HN 0.140 nan 8.360 nan 0.000 0.466 131 L N 0.659 121.887 121.223 0.010 0.000 2.093 131 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 131 L C 1.781 178.658 176.870 0.011 0.000 1.085 131 L CA 1.730 56.577 54.840 0.011 0.000 0.755 131 L CB -0.326 41.738 42.059 0.008 0.000 0.904 131 L HN 0.035 nan 8.230 nan 0.000 0.435 132 K N -1.123 119.282 120.400 0.009 0.000 2.057 132 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 132 K C 2.066 178.672 176.600 0.011 0.000 1.050 132 K CA 1.221 57.514 56.287 0.009 0.000 0.935 132 K CB -0.301 32.203 32.500 0.006 0.000 0.715 132 K HN 0.329 nan 8.250 nan 0.000 0.439 133 A N 1.383 124.209 122.820 0.011 0.000 1.972 133 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 133 A C 2.040 179.633 177.584 0.016 0.000 1.169 133 A CA 1.050 53.095 52.037 0.012 0.000 0.635 133 A CB -0.456 18.551 19.000 0.012 0.000 0.810 133 A HN 0.239 nan 8.150 nan 0.000 0.446 134 L N -0.515 120.719 121.223 0.018 0.000 2.240 134 L HA 0.007 4.347 4.340 -0.000 0.000 0.211 134 L C 1.363 178.246 176.870 0.021 0.000 1.106 134 L CA 0.458 55.311 54.840 0.022 0.000 0.793 134 L CB -0.183 41.891 42.059 0.025 0.000 0.927 134 L HN 0.406 nan 8.230 nan 0.000 0.446 135 S N -0.208 115.502 115.700 0.018 0.000 2.552 135 S HA 0.072 4.542 4.470 -0.000 0.000 0.289 135 S C -0.198 174.411 174.600 0.016 0.000 1.304 135 S CA -0.421 57.789 58.200 0.016 0.000 1.063 135 S CB 0.513 63.721 63.200 0.014 0.000 0.848 135 S HN 0.057 nan 8.310 nan 0.000 0.499 136 V N 8.331 128.254 119.914 0.016 0.000 2.427 136 V HA 0.409 4.529 4.120 -0.000 0.000 0.286 136 V C -2.063 174.039 176.094 0.013 0.000 1.034 136 V CA -1.870 60.439 62.300 0.015 0.000 0.893 136 V CB 1.366 33.198 31.823 0.016 0.000 0.982 136 V HN 0.764 nan 8.190 nan 0.000 0.452 137 P HA 0.199 nan 4.420 nan 0.000 0.272 137 P C -0.803 176.503 177.300 0.010 0.000 1.223 137 P CA -0.275 62.831 63.100 0.011 0.000 0.784 137 P CB 0.505 32.211 31.700 0.009 0.000 0.923 138 C N 2.578 121.884 119.300 0.010 0.000 2.653 138 C HA 0.498 4.958 4.460 -0.000 0.000 0.291 138 C C 0.956 175.950 174.990 0.007 0.000 1.064 138 C CA 0.170 59.194 59.018 0.009 0.000 1.469 138 C CB -1.256 26.490 27.740 0.010 0.000 1.861 138 C HN 0.578 nan 8.230 nan 0.000 0.434 139 S N 1.730 117.433 115.700 0.006 0.000 2.931 139 S HA 0.136 4.606 4.470 -0.000 0.000 0.251 139 S C 0.226 174.829 174.600 0.004 0.000 1.078 139 S CA 0.015 58.218 58.200 0.005 0.000 0.835 139 S CB -0.080 63.123 63.200 0.005 0.000 0.798 139 S HN 0.940 nan 8.310 nan 0.000 0.495 140 D N 2.403 122.805 120.400 0.004 0.000 2.399 140 D HA 0.067 4.707 4.640 -0.000 0.000 0.241 140 D C 0.914 177.215 176.300 0.002 0.000 1.133 140 D CA 0.311 54.312 54.000 0.003 0.000 0.890 140 D CB 0.956 41.758 40.800 0.003 0.000 1.201 140 D HN 0.244 nan 8.370 nan 0.000 0.432 141 S N 0.782 116.483 115.700 0.001 0.000 2.547 141 S HA -0.197 4.273 4.470 -0.000 0.000 0.235 141 S C 1.478 176.079 174.600 0.001 0.000 0.980 141 S CA 0.620 58.820 58.200 0.001 0.000 0.941 141 S CB -0.265 62.935 63.200 -0.000 0.000 0.763 141 S HN 0.634 nan 8.310 nan 0.000 0.532 142 K N 1.405 121.806 120.400 0.002 0.000 2.076 142 K HA 0.120 4.440 4.320 -0.000 0.000 0.204 142 K C 2.272 178.874 176.600 0.003 0.000 1.051 142 K CA 0.963 57.251 56.287 0.002 0.000 0.949 142 K CB -0.541 31.961 32.500 0.002 0.000 0.726 142 K HN 0.412 nan 8.250 nan 0.000 0.443 143 A N 1.703 124.525 122.820 0.004 0.000 1.872 143 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 143 A C 2.085 179.672 177.584 0.005 0.000 1.187 143 A CA 1.136 53.176 52.037 0.005 0.000 0.614 143 A CB -0.561 18.442 19.000 0.006 0.000 0.826 143 A HN 0.320 nan 8.150 nan 0.000 0.442 144 I N 0.007 120.579 120.570 0.004 0.000 2.145 144 I HA -0.372 3.798 4.170 -0.000 0.000 0.244 144 I C 2.960 179.079 176.117 0.004 0.000 1.075 144 I CA 1.342 62.644 61.300 0.004 0.000 1.332 144 I CB -0.416 37.585 38.000 0.002 0.000 1.033 144 I HN 0.389 nan 8.210 nan 0.000 0.410 145 A N 0.248 123.069 122.820 0.003 0.000 1.933 145 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 145 A C 2.248 179.834 177.584 0.002 0.000 1.175 145 A CA 1.497 53.536 52.037 0.002 0.000 0.628 145 A CB -0.554 18.447 19.000 0.001 0.000 0.814 145 A HN 0.527 nan 8.150 nan 0.000 0.444 146 Q N -0.399 119.403 119.800 0.003 0.000 2.079 146 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 146 Q C 2.118 178.120 176.000 0.003 0.000 0.974 146 Q CA 1.624 57.428 55.803 0.002 0.000 0.840 146 Q CB -0.456 28.284 28.738 0.003 0.000 0.898 146 Q HN 0.485 nan 8.270 nan 0.000 0.430 147 V N 0.956 120.873 119.914 0.005 0.000 2.407 147 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 147 V C 2.275 178.374 176.094 0.007 0.000 1.055 147 V CA 1.961 64.266 62.300 0.007 0.000 1.049 147 V CB -1.181 30.648 31.823 0.010 0.000 0.662 147 V HN 0.530 nan 8.190 nan 0.000 0.455 148 G N -0.357 108.447 108.800 0.007 0.000 2.402 148 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 148 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 148 G C 1.689 176.592 174.900 0.005 0.000 1.162 148 G CA 1.455 46.560 45.100 0.008 0.000 0.777 148 G HN 0.469 nan 8.290 nan 0.000 0.539 149 T N 1.396 115.952 114.554 0.002 0.000 2.746 149 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 149 T C 2.375 177.074 174.700 -0.001 0.000 1.039 149 T CA 0.984 63.084 62.100 0.000 0.000 1.142 149 T CB -0.146 68.722 68.868 -0.001 0.000 0.866 149 T HN 0.242 nan 8.240 nan 0.000 0.444 150 I N 1.244 121.813 120.570 -0.001 0.000 2.252 150 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 150 I C 2.434 178.549 176.117 -0.004 0.000 1.102 150 I CA 0.984 62.281 61.300 -0.004 0.000 1.385 150 I CB -0.301 37.697 38.000 -0.004 0.000 1.064 150 I HN 0.175 nan 8.210 nan 0.000 0.414 151 S N 0.668 116.369 115.700 0.001 0.000 2.515 151 S HA 0.047 4.517 4.470 -0.000 0.000 0.231 151 S C 1.567 176.169 174.600 0.003 0.000 0.987 151 S CA 0.872 59.074 58.200 0.003 0.000 0.936 151 S CB -0.069 63.138 63.200 0.012 0.000 0.766 151 S HN 0.496 nan 8.310 nan 0.000 0.528 152 A N 1.346 124.167 122.820 0.001 0.000 2.610 152 A HA 0.469 4.788 4.320 -0.000 0.000 0.286 152 A C 0.593 178.175 177.584 -0.003 0.000 1.306 152 A CA -0.436 51.602 52.037 0.001 0.000 0.942 152 A CB -0.549 18.453 19.000 0.002 0.000 1.112 152 A HN 0.358 nan 8.150 nan 0.000 0.527 153 N N -0.289 118.408 118.700 -0.006 0.000 2.756 153 N HA -0.215 4.525 4.740 -0.000 0.000 0.248 153 N C 0.222 175.727 175.510 -0.009 0.000 1.062 153 N CA 1.061 54.106 53.050 -0.009 0.000 0.696 153 N CB -1.830 36.652 38.487 -0.009 0.000 0.946 153 N HN 0.518 nan 8.380 nan 0.000 0.548 154 S N -1.670 114.026 115.700 -0.008 0.000 3.490 154 S HA -0.230 4.240 4.470 -0.000 0.000 0.301 154 S C -0.356 174.241 174.600 -0.006 0.000 1.233 154 S CA 0.818 59.013 58.200 -0.008 0.000 0.914 154 S CB -1.009 62.185 63.200 -0.010 0.000 1.047 154 S HN 0.731 nan 8.310 nan 0.000 0.602 155 D N 1.569 121.967 120.400 -0.004 0.000 2.441 155 D HA 0.217 4.857 4.640 -0.000 0.000 0.221 155 D C 1.223 177.522 176.300 -0.002 0.000 1.156 155 D CA -0.279 53.719 54.000 -0.003 0.000 0.896 155 D CB 0.452 41.251 40.800 -0.002 0.000 1.028 155 D HN 0.465 nan 8.370 nan 0.000 0.509 156 E N 1.330 121.529 120.200 -0.002 0.000 2.171 156 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 156 E C 1.433 178.032 176.600 -0.001 0.000 0.997 156 E CA 1.191 57.590 56.400 -0.002 0.000 0.810 156 E CB 0.095 29.794 29.700 -0.002 0.000 0.738 156 E HN 0.492 nan 8.360 nan 0.000 0.467 157 T N 1.313 115.866 114.554 -0.002 0.000 2.684 157 T HA -0.155 4.194 4.350 -0.000 0.000 0.267 157 T C 2.211 176.911 174.700 -0.001 0.000 1.036 157 T CA 1.517 63.616 62.100 -0.001 0.000 1.148 157 T CB -0.366 68.501 68.868 -0.002 0.000 0.863 157 T HN 0.012 nan 8.240 nan 0.000 0.436 158 V N 1.508 121.422 119.914 -0.000 0.000 2.343 158 V HA -0.107 4.012 4.120 -0.000 0.000 0.247 158 V C 2.901 178.995 176.094 0.001 0.000 1.051 158 V CA 1.927 64.227 62.300 0.001 0.000 1.036 158 V CB -1.513 30.311 31.823 0.002 0.000 0.654 158 V HN 0.612 nan 8.190 nan 0.000 0.451 159 G N -0.295 108.505 108.800 0.001 0.000 2.446 159 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.217 159 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.217 159 G C 1.638 176.538 174.900 0.000 0.000 1.168 159 G CA 1.147 46.248 45.100 0.001 0.000 0.771 159 G HN 0.498 nan 8.290 nan 0.000 0.551 160 K N -0.057 120.342 120.400 -0.000 0.000 2.032 160 K HA 0.000 4.320 4.320 -0.000 0.000 0.209 160 K C 2.538 179.137 176.600 -0.002 0.000 1.048 160 K CA 1.028 57.315 56.287 -0.001 0.000 0.927 160 K CB -0.322 32.177 32.500 -0.001 0.000 0.712 160 K HN 0.330 nan 8.250 nan 0.000 0.441 161 L N 0.896 122.118 121.223 -0.002 0.000 2.012 161 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 161 L C 2.428 179.296 176.870 -0.003 0.000 1.073 161 L CA 1.428 56.266 54.840 -0.003 0.000 0.748 161 L CB -0.283 41.775 42.059 -0.002 0.000 0.891 161 L HN 0.297 nan 8.230 nan 0.000 0.431 162 I N -0.785 119.784 120.570 -0.002 0.000 2.252 162 I HA -0.273 3.896 4.170 -0.000 0.000 0.245 162 I C 2.745 178.860 176.117 -0.004 0.000 1.102 162 I CA 1.076 62.374 61.300 -0.003 0.000 1.385 162 I CB -0.491 37.509 38.000 0.000 0.000 1.064 162 I HN 0.222 nan 8.210 nan 0.000 0.414 163 A N 0.569 123.387 122.820 -0.002 0.000 1.908 163 A HA -0.241 4.078 4.320 -0.000 0.000 0.218 163 A C 2.214 179.796 177.584 -0.003 0.000 1.181 163 A CA 1.804 53.839 52.037 -0.002 0.000 0.627 163 A CB -0.610 18.390 19.000 -0.001 0.000 0.818 163 A HN 0.440 nan 8.150 nan 0.000 0.445 164 E N -0.421 119.777 120.200 -0.004 0.000 2.077 164 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 164 E C 2.333 178.929 176.600 -0.006 0.000 0.989 164 E CA 0.979 57.376 56.400 -0.004 0.000 0.800 164 E CB -0.272 29.425 29.700 -0.004 0.000 0.746 164 E HN 0.628 nan 8.360 nan 0.000 0.452 165 A N 0.994 123.810 122.820 -0.007 0.000 1.898 165 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 165 A C 2.150 179.728 177.584 -0.010 0.000 1.181 165 A CA 1.205 53.236 52.037 -0.009 0.000 0.620 165 A CB -0.389 18.604 19.000 -0.011 0.000 0.819 165 A HN 0.137 nan 8.150 nan 0.000 0.442 166 M N -0.869 118.725 119.600 -0.009 0.000 2.213 166 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 166 M C 1.811 178.106 176.300 -0.008 0.000 1.062 166 M CA 1.904 57.199 55.300 -0.010 0.000 1.105 166 M CB -0.517 32.078 32.600 -0.008 0.000 1.385 166 M HN 0.523 nan 8.290 nan 0.000 0.417 167 D N 0.495 120.891 120.400 -0.006 0.000 2.144 167 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 167 D C 2.022 178.319 176.300 -0.005 0.000 0.978 167 D CA 1.141 55.138 54.000 -0.005 0.000 0.833 167 D CB 0.259 41.057 40.800 -0.004 0.000 0.961 167 D HN 0.006 nan 8.370 nan 0.000 0.470 168 K N 0.024 120.420 120.400 -0.006 0.000 1.973 168 K HA -0.072 4.248 4.320 -0.000 0.000 0.212 168 K C 2.127 178.723 176.600 -0.007 0.000 1.047 168 K CA 1.544 57.827 56.287 -0.007 0.000 0.937 168 K CB -0.768 31.727 32.500 -0.007 0.000 0.721 168 K HN 0.288 nan 8.250 nan 0.000 0.440 169 V N -2.243 117.666 119.914 -0.009 0.000 3.649 169 V HA 0.293 4.413 4.120 -0.000 0.000 0.275 169 V C 0.753 176.841 176.094 -0.009 0.000 1.281 169 V CA 0.336 62.630 62.300 -0.010 0.000 1.143 169 V CB -0.762 31.054 31.823 -0.012 0.000 0.892 169 V HN 0.446 nan 8.190 nan 0.000 0.441 170 G N 0.839 109.634 108.800 -0.008 0.000 2.730 170 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.686 170 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.686 170 G C 0.073 174.967 174.900 -0.009 0.000 1.343 170 G CA 0.051 45.146 45.100 -0.008 0.000 0.826 170 G HN 0.338 nan 8.290 nan 0.000 0.582 171 K N 0.099 120.494 120.400 -0.008 0.000 2.147 171 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 171 K C 1.980 178.573 176.600 -0.012 0.000 1.049 171 K CA 1.754 58.036 56.287 -0.009 0.000 0.936 171 K CB -0.031 32.466 32.500 -0.005 0.000 0.722 171 K HN 0.531 nan 8.250 nan 0.000 0.446 172 E N 0.454 120.648 120.200 -0.010 0.000 2.435 172 E HA 0.007 4.357 4.350 -0.000 0.000 0.195 172 E C 0.979 177.570 176.600 -0.016 0.000 1.029 172 E CA 0.144 56.537 56.400 -0.012 0.000 0.865 172 E CB -0.025 29.670 29.700 -0.007 0.000 0.833 172 E HN 0.259 nan 8.360 nan 0.000 0.510 173 G N 1.286 110.077 108.800 -0.016 0.000 2.614 173 G HA2 0.170 4.130 3.960 -0.000 0.000 0.239 173 G HA3 0.170 4.130 3.960 -0.000 0.000 0.239 173 G C 0.114 174.999 174.900 -0.026 0.000 1.240 173 G CA -0.442 44.648 45.100 -0.017 0.000 0.842 173 G HN -0.031 nan 8.290 nan 0.000 0.584 174 V N 2.207 122.106 119.914 -0.025 0.000 2.461 174 V HA 0.296 4.415 4.120 -0.000 0.000 0.275 174 V C 0.390 176.463 176.094 -0.035 0.000 1.047 174 V CA 0.033 62.312 62.300 -0.035 0.000 0.955 174 V CB 0.718 32.522 31.823 -0.031 0.000 0.988 174 V HN 0.457 nan 8.190 nan 0.000 0.471 175 I N 4.350 124.894 120.570 -0.044 0.000 2.436 175 I HA 0.445 4.615 4.170 -0.000 0.000 0.289 175 I C 0.070 176.162 176.117 -0.041 0.000 1.010 175 I CA -0.162 61.115 61.300 -0.038 0.000 1.098 175 I CB 2.162 40.141 38.000 -0.036 0.000 1.266 175 I HN 0.493 nan 8.210 nan 0.000 0.434 176 T N 5.172 119.707 114.554 -0.032 0.000 2.918 176 T HA 0.575 4.924 4.350 -0.000 0.000 0.286 176 T C -0.896 173.791 174.700 -0.020 0.000 1.026 176 T CA -0.561 61.522 62.100 -0.029 0.000 1.031 176 T CB 2.570 71.421 68.868 -0.028 0.000 1.046 176 T HN 0.378 nan 8.240 nan 0.000 0.479 177 V N 2.691 122.596 119.914 -0.016 0.000 2.686 177 V HA 0.801 4.921 4.120 -0.000 0.000 0.306 177 V C -1.419 174.670 176.094 -0.008 0.000 1.065 177 V CA -0.586 61.708 62.300 -0.010 0.000 0.894 177 V CB 1.635 33.455 31.823 -0.005 0.000 1.004 177 V HN 1.052 nan 8.190 nan 0.000 0.424 178 E N 3.431 123.626 120.200 -0.008 0.000 2.446 178 E HA 0.519 4.868 4.350 -0.000 0.000 0.276 178 E C -1.592 175.004 176.600 -0.006 0.000 0.969 178 E CA -1.137 55.258 56.400 -0.008 0.000 0.800 178 E CB 1.355 31.048 29.700 -0.011 0.000 1.341 178 E HN 0.547 nan 8.360 nan 0.000 0.460 179 D N 0.678 121.075 120.400 -0.006 0.000 2.478 179 D HA 0.163 4.803 4.640 -0.000 0.000 0.234 179 D C 0.242 176.538 176.300 -0.006 0.000 1.154 179 D CA 0.620 54.617 54.000 -0.005 0.000 0.874 179 D CB 0.783 41.580 40.800 -0.006 0.000 1.198 179 D HN 0.553 nan 8.370 nan 0.000 0.455 180 G N -0.560 108.237 108.800 -0.005 0.000 2.528 180 G HA2 0.330 4.290 3.960 -0.000 0.000 0.289 180 G HA3 0.330 4.290 3.960 -0.000 0.000 0.289 180 G C 0.906 175.803 174.900 -0.006 0.000 1.192 180 G CA -0.338 44.759 45.100 -0.006 0.000 0.921 180 G HN 0.442 nan 8.290 nan 0.000 0.512 181 T N -3.024 111.526 114.554 -0.006 0.000 3.107 181 T HA 0.484 4.834 4.350 -0.000 0.000 0.249 181 T C 0.884 175.581 174.700 -0.005 0.000 1.096 181 T CA 0.529 62.625 62.100 -0.006 0.000 1.012 181 T CB -0.050 68.814 68.868 -0.006 0.000 0.977 181 T HN 1.957 nan 8.240 nan 0.000 0.527 182 G N 1.184 109.981 108.800 -0.005 0.000 2.326 182 G HA2 0.251 4.211 3.960 -0.000 0.000 0.299 182 G HA3 0.251 4.211 3.960 -0.000 0.000 0.299 182 G C -0.589 174.309 174.900 -0.004 0.000 1.643 182 G CA -0.759 44.339 45.100 -0.004 0.000 0.916 182 G HN 0.481 nan 8.290 nan 0.000 0.700 183 L N 1.479 122.700 121.223 -0.003 0.000 5.090 183 L HA -0.151 4.189 4.340 -0.000 0.000 0.471 183 L C -0.136 176.732 176.870 -0.003 0.000 1.241 183 L CA 2.009 56.847 54.840 -0.003 0.000 0.601 183 L CB -1.131 40.927 42.059 -0.003 0.000 1.240 183 L HN 0.953 nan 8.230 nan 0.000 0.641 184 Q N 1.848 121.646 119.800 -0.003 0.000 3.349 184 Q HA 0.081 4.420 4.340 -0.000 0.000 0.159 184 Q C -1.229 174.769 176.000 -0.004 0.000 0.979 184 Q CA -0.617 55.184 55.803 -0.003 0.000 1.248 184 Q CB 0.806 29.542 28.738 -0.003 0.000 1.740 184 Q HN 0.498 nan 8.270 nan 0.000 0.602 185 D N 2.535 122.933 120.400 -0.004 0.000 2.344 185 D HA 0.279 4.919 4.640 -0.000 0.000 0.244 185 D C -0.284 176.013 176.300 -0.005 0.000 1.134 185 D CA 0.246 54.243 54.000 -0.004 0.000 0.930 185 D CB 0.969 41.767 40.800 -0.004 0.000 1.175 185 D HN 0.342 nan 8.370 nan 0.000 0.437 186 E N 0.008 120.204 120.200 -0.005 0.000 2.308 186 E HA 0.473 4.823 4.350 -0.000 0.000 0.275 186 E C -1.197 175.400 176.600 -0.007 0.000 0.890 186 E CA -0.874 55.523 56.400 -0.006 0.000 0.754 186 E CB 2.511 32.207 29.700 -0.006 0.000 1.207 186 E HN 0.072 nan 8.360 nan 0.000 0.426 187 L N 2.615 123.834 121.223 -0.006 0.000 2.376 187 L HA 0.533 4.873 4.340 -0.000 0.000 0.275 187 L C -1.750 175.116 176.870 -0.007 0.000 0.987 187 L CA -0.105 54.731 54.840 -0.007 0.000 0.828 187 L CB 1.340 43.395 42.059 -0.007 0.000 1.249 187 L HN 0.462 nan 8.230 nan 0.000 0.409 188 D N 4.111 124.506 120.400 -0.008 0.000 2.857 188 D HA 0.407 5.047 4.640 -0.000 0.000 0.227 188 D C -1.119 175.176 176.300 -0.009 0.000 1.192 188 D CA -0.259 53.736 54.000 -0.008 0.000 0.857 188 D CB 2.954 43.749 40.800 -0.008 0.000 1.645 188 D HN 0.262 nan 8.370 nan 0.000 0.482 189 V N 1.713 121.622 119.914 -0.008 0.000 2.407 189 V HA 0.466 4.586 4.120 -0.000 0.000 0.278 189 V C 0.657 176.746 176.094 -0.008 0.000 1.037 189 V CA -0.497 61.798 62.300 -0.008 0.000 0.900 189 V CB 1.294 33.113 31.823 -0.007 0.000 0.983 189 V HN 0.467 nan 8.190 nan 0.000 0.459 190 V N 1.762 121.672 119.914 -0.008 0.000 3.119 190 V HA 0.708 4.828 4.120 -0.000 0.000 0.311 190 V C -0.391 175.700 176.094 -0.005 0.000 1.259 190 V CA -1.042 61.254 62.300 -0.007 0.000 1.067 190 V CB 2.160 33.978 31.823 -0.009 0.000 1.123 190 V HN 0.638 nan 8.190 nan 0.000 0.463 191 E N 1.330 121.527 120.200 -0.003 0.000 2.299 191 E HA 0.615 4.965 4.350 -0.000 0.000 0.272 191 E C 0.185 176.787 176.600 0.002 0.000 1.043 191 E CA 0.935 57.335 56.400 0.000 0.000 0.895 191 E CB 0.625 30.325 29.700 0.001 0.000 1.011 191 E HN 1.198 nan 8.360 nan 0.000 0.432 192 G N 1.416 110.220 108.800 0.006 0.000 2.548 192 G HA2 0.614 4.574 3.960 -0.000 0.000 0.301 192 G HA3 0.614 4.574 3.960 -0.000 0.000 0.301 192 G C -1.205 173.708 174.900 0.022 0.000 1.349 192 G CA -0.622 44.485 45.100 0.011 0.000 0.792 192 G HN 0.400 nan 8.290 nan 0.000 0.481 193 M N -0.410 119.209 119.600 0.031 0.000 2.790 193 M HA 0.576 5.056 4.480 -0.000 0.000 0.272 193 M C -2.333 173.994 176.300 0.045 0.000 1.168 193 M CA -0.667 54.666 55.300 0.056 0.000 0.829 193 M CB 2.458 35.117 32.600 0.099 0.000 1.675 193 M HN 0.774 nan 8.290 nan 0.000 0.505 194 Q N 2.773 122.606 119.800 0.055 0.000 2.284 194 Q HA 0.623 4.963 4.340 -0.000 0.000 0.269 194 Q C -2.266 173.766 176.000 0.054 0.000 1.026 194 Q CA -0.638 55.138 55.803 -0.045 0.000 0.831 194 Q CB 2.100 30.789 28.738 -0.082 0.000 1.322 194 Q HN 0.591 nan 8.270 nan 0.000 0.419 195 F N -0.092 119.852 119.950 -0.010 0.000 2.611 195 F HA 0.561 5.087 4.527 -0.000 0.000 0.324 195 F C -0.474 175.323 175.800 -0.006 0.000 1.061 195 F CA -1.194 56.803 58.000 -0.006 0.000 0.954 195 F CB 1.095 40.094 39.000 -0.002 0.000 1.301 195 F HN 0.300 nan 8.300 nan 0.000 0.482 196 D N 2.976 123.503 120.400 0.211 0.000 2.608 196 D HA 0.180 4.820 4.640 -0.000 0.000 0.224 196 D C -0.339 176.050 176.300 0.148 0.000 1.123 196 D CA 0.232 54.296 54.000 0.106 0.000 1.030 196 D CB -0.084 40.771 40.800 0.090 0.000 1.093 196 D HN 0.298 nan 8.370 nan 0.000 0.497 197 R N 0.566 121.132 120.500 0.109 0.000 2.510 197 R HA 0.428 4.767 4.340 -0.000 0.000 0.287 197 R C 0.265 176.552 176.300 -0.020 0.000 1.084 197 R CA -0.648 55.532 56.100 0.133 0.000 0.934 197 R CB 1.881 32.417 30.300 0.393 0.000 1.201 197 R HN 0.247 nan 8.270 nan 0.000 0.431 198 G N 1.191 109.942 108.800 -0.082 0.000 2.531 198 G HA2 0.383 4.343 3.960 -0.000 0.000 0.281 198 G HA3 0.383 4.343 3.960 -0.000 0.000 0.281 198 G C -0.615 174.219 174.900 -0.111 0.000 1.382 198 G CA -0.492 44.478 45.100 -0.215 0.000 1.045 198 G HN 0.454 nan 8.290 nan 0.000 0.533 199 Y N -0.919 119.430 120.300 0.082 0.000 2.511 199 Y HA 0.348 4.897 4.550 -0.000 0.000 0.332 199 Y C 1.126 177.148 175.900 0.205 0.000 1.177 199 Y CA -1.137 57.054 58.100 0.153 0.000 1.422 199 Y CB 0.386 38.984 38.460 0.229 0.000 1.271 199 Y HN 0.167 nan 8.280 nan 0.000 0.550 200 L N 2.692 124.190 121.223 0.458 0.000 2.675 200 L HA 0.054 4.394 4.340 -0.000 0.000 0.238 200 L C 0.565 177.684 176.870 0.415 0.000 1.155 200 L CA 0.910 55.972 54.840 0.371 0.000 0.881 200 L CB -0.532 41.718 42.059 0.319 0.000 1.008 200 L HN 0.836 nan 8.230 nan 0.000 0.443 201 S N -2.204 113.836 115.700 0.568 0.000 2.669 201 S HA 0.298 4.767 4.470 -0.000 0.000 0.304 201 S C -2.687 171.965 174.600 0.088 0.000 1.021 201 S CA -0.975 57.401 58.200 0.293 0.000 0.854 201 S CB 1.361 64.564 63.200 0.004 0.000 1.048 201 S HN -0.242 nan 8.310 nan 0.000 0.452 202 P HA 0.402 nan 4.420 nan 0.000 0.339 202 P C 0.196 177.296 177.300 -0.334 0.000 1.413 202 P CA 0.544 63.267 63.100 -0.627 0.000 0.833 202 P CB -0.012 31.367 31.700 -0.535 0.000 2.004 203 Y N -4.676 115.443 120.300 -0.303 0.000 2.818 203 Y HA -0.324 4.226 4.550 -0.000 0.000 0.487 203 Y C 1.913 177.713 175.900 -0.166 0.000 1.146 203 Y CA 1.624 59.577 58.100 -0.244 0.000 2.839 203 Y CB -2.910 35.353 38.460 -0.329 0.000 0.893 203 Y HN 0.091 nan 8.280 nan 0.000 0.545 204 F N 0.637 120.585 119.950 -0.003 0.000 2.307 204 F HA -0.087 4.440 4.527 -0.000 0.000 0.301 204 F C 1.453 177.208 175.800 -0.076 0.000 1.076 204 F CA 0.805 58.792 58.000 -0.022 0.000 1.383 204 F CB -0.653 38.343 39.000 -0.007 0.000 1.055 204 F HN -0.008 nan 8.300 nan 0.000 0.526 205 I N 2.054 122.613 120.570 -0.019 0.000 2.741 205 I HA -0.161 4.009 4.170 -0.000 0.000 0.288 205 I C 0.604 176.715 176.117 -0.009 0.000 1.192 205 I CA 0.535 61.792 61.300 -0.070 0.000 1.426 205 I CB 0.114 37.995 38.000 -0.199 0.000 1.367 205 I HN 0.186 nan 8.210 nan 0.000 0.563 206 N N 4.332 123.041 118.700 0.015 0.000 2.194 206 N HA 0.091 4.831 4.740 -0.000 0.000 0.231 206 N C -0.243 175.273 175.510 0.010 0.000 1.247 206 N CA -0.309 52.752 53.050 0.019 0.000 0.884 206 N CB 0.583 39.091 38.487 0.035 0.000 1.146 206 N HN 0.291 nan 8.380 nan 0.000 0.516 207 K N 1.165 121.568 120.400 0.005 0.000 3.146 207 K HA 0.277 4.597 4.320 -0.000 0.000 0.168 207 K C -2.059 174.540 176.600 -0.002 0.000 1.075 207 K CA -1.558 54.732 56.287 0.006 0.000 0.843 207 K CB 1.700 34.209 32.500 0.015 0.000 1.002 207 K HN 0.024 nan 8.250 nan 0.000 0.597 208 P HA -0.255 nan 4.420 nan 0.000 0.218 208 P C 0.534 177.824 177.300 -0.016 0.000 1.150 208 P CA 1.555 64.639 63.100 -0.027 0.000 0.841 208 P CB 0.546 32.228 31.700 -0.030 0.000 0.784 209 E N 0.291 120.486 120.200 -0.008 0.000 2.021 209 E HA -0.160 4.190 4.350 -0.000 0.000 0.200 209 E C 2.089 178.688 176.600 -0.002 0.000 1.015 209 E CA 2.410 58.807 56.400 -0.005 0.000 0.824 209 E CB -1.684 28.015 29.700 -0.001 0.000 0.762 209 E HN 0.415 nan 8.360 nan 0.000 0.454 210 T N -2.809 111.751 114.554 0.009 0.000 3.081 210 T HA 0.293 4.643 4.350 -0.000 0.000 0.250 210 T C 1.481 176.202 174.700 0.035 0.000 1.100 210 T CA 0.170 62.282 62.100 0.022 0.000 1.038 210 T CB 0.105 68.993 68.868 0.034 0.000 0.962 210 T HN 0.381 nan 8.240 nan 0.000 0.516 211 G N 1.271 110.085 108.800 0.024 0.000 2.249 211 G HA2 0.028 3.987 3.960 -0.000 0.000 0.273 211 G HA3 0.028 3.987 3.960 -0.000 0.000 0.273 211 G C 0.142 175.099 174.900 0.095 0.000 1.036 211 G CA 0.029 45.149 45.100 0.034 0.000 0.824 211 G HN 1.150 nan 8.290 nan 0.000 0.504 212 A N -1.338 121.528 122.820 0.077 0.000 2.350 212 A HA 0.912 5.232 4.320 -0.000 0.000 0.318 212 A C -0.017 177.615 177.584 0.080 0.000 1.132 212 A CA -0.349 51.757 52.037 0.116 0.000 0.811 212 A CB 2.004 21.054 19.000 0.084 0.000 1.313 212 A HN 1.106 nan 8.150 nan 0.000 0.454 213 V N 0.883 120.862 119.914 0.108 0.000 2.427 213 V HA 0.479 4.599 4.120 -0.000 0.000 0.286 213 V C -0.003 176.117 176.094 0.043 0.000 1.034 213 V CA -0.229 62.116 62.300 0.076 0.000 0.893 213 V CB 1.243 33.125 31.823 0.099 0.000 0.982 213 V HN 0.924 nan 8.190 nan 0.000 0.452 214 E N 4.592 124.808 120.200 0.027 0.000 2.373 214 E HA 0.501 4.851 4.350 -0.000 0.000 0.251 214 E C -1.562 175.040 176.600 0.003 0.000 0.923 214 E CA -0.448 55.958 56.400 0.010 0.000 0.798 214 E CB 1.144 30.850 29.700 0.010 0.000 1.303 214 E HN 0.622 nan 8.360 nan 0.000 0.412 215 L N 3.228 124.446 121.223 -0.008 0.000 2.325 215 L HA 0.512 4.851 4.340 -0.000 0.000 0.278 215 L C 0.046 176.899 176.870 -0.027 0.000 1.023 215 L CA -0.788 54.044 54.840 -0.014 0.000 0.811 215 L CB 1.591 43.639 42.059 -0.018 0.000 1.249 215 L HN 0.422 nan 8.230 nan 0.000 0.431 216 E N 1.333 121.513 120.200 -0.033 0.000 2.171 216 E HA 0.265 4.615 4.350 -0.000 0.000 0.271 216 E C -0.295 176.259 176.600 -0.077 0.000 0.916 216 E CA -0.589 55.783 56.400 -0.046 0.000 0.774 216 E CB 1.732 31.411 29.700 -0.034 0.000 1.128 216 E HN 0.602 nan 8.360 nan 0.000 0.403 217 S N 1.773 117.414 115.700 -0.099 0.000 3.559 217 S HA -0.120 4.350 4.470 -0.000 0.000 0.369 217 S C -2.106 172.342 174.600 -0.253 0.000 0.987 217 S CA 0.345 58.447 58.200 -0.164 0.000 1.187 217 S CB -1.237 61.870 63.200 -0.156 0.000 0.914 217 S HN 0.475 nan 8.310 nan 0.000 0.480 218 P HA 0.495 nan 4.420 nan 0.000 0.278 218 P C -0.267 176.885 177.300 -0.247 0.000 1.258 218 P CA -0.578 62.416 63.100 -0.177 0.000 0.811 218 P CB 0.517 32.182 31.700 -0.058 0.000 1.063 219 F N 0.250 120.200 119.950 0.000 0.000 2.421 219 F HA 0.419 4.946 4.527 -0.000 0.000 0.337 219 F C 0.757 176.558 175.800 0.002 0.000 1.105 219 F CA -0.474 57.527 58.000 0.002 0.000 1.049 219 F CB 0.785 39.786 39.000 0.001 0.000 1.139 219 F HN 0.029 nan 8.300 nan 0.000 0.479 220 I N 5.204 125.897 120.570 0.204 0.000 2.355 220 I HA 0.232 4.401 4.170 -0.000 0.000 0.288 220 I C -0.933 175.241 176.117 0.094 0.000 0.999 220 I CA -0.924 60.446 61.300 0.117 0.000 1.163 220 I CB 1.446 39.498 38.000 0.085 0.000 1.316 220 I HN 0.291 nan 8.210 nan 0.000 0.454 221 L N 8.575 129.838 121.223 0.067 0.000 2.260 221 L HA 0.428 4.768 4.340 -0.000 0.000 0.289 221 L C -0.812 176.074 176.870 0.025 0.000 1.057 221 L CA 0.112 54.974 54.840 0.038 0.000 0.811 221 L CB 0.514 42.589 42.059 0.026 0.000 1.184 221 L HN 0.456 nan 8.230 nan 0.000 0.429 222 L N 6.574 127.806 121.223 0.015 0.000 2.277 222 L HA 0.695 5.035 4.340 -0.000 0.000 0.284 222 L C -0.039 176.828 176.870 -0.005 0.000 1.028 222 L CA -0.429 54.410 54.840 -0.001 0.000 0.835 222 L CB 1.054 43.109 42.059 -0.007 0.000 1.215 222 L HN 0.805 nan 8.230 nan 0.000 0.425 223 A N 1.914 124.731 122.820 -0.006 0.000 2.311 223 A HA 0.358 4.678 4.320 -0.000 0.000 0.306 223 A C -0.565 177.014 177.584 -0.007 0.000 1.189 223 A CA -0.570 51.465 52.037 -0.004 0.000 0.791 223 A CB 0.892 19.895 19.000 0.004 0.000 1.172 223 A HN 0.684 nan 8.150 nan 0.000 0.481 224 D N 2.983 123.377 120.400 -0.010 0.000 2.508 224 D HA 0.408 5.048 4.640 -0.000 0.000 0.224 224 D C 0.090 176.389 176.300 -0.001 0.000 1.171 224 D CA 0.437 54.430 54.000 -0.011 0.000 1.006 224 D CB -0.585 40.206 40.800 -0.015 0.000 1.073 224 D HN 0.647 nan 8.370 nan 0.000 0.513 225 K N -0.018 120.385 120.400 0.005 0.000 3.342 225 K HA 0.196 4.516 4.320 -0.000 0.000 0.345 225 K C -1.424 175.187 176.600 0.018 0.000 1.095 225 K CA -1.188 55.106 56.287 0.011 0.000 0.829 225 K CB 0.326 32.832 32.500 0.009 0.000 1.471 225 K HN -0.092 nan 8.250 nan 0.000 0.428 226 K N 1.216 121.629 120.400 0.022 0.000 2.213 226 K HA 0.449 4.769 4.320 -0.000 0.000 0.270 226 K C -0.641 175.975 176.600 0.027 0.000 1.002 226 K CA -0.596 55.708 56.287 0.028 0.000 0.868 226 K CB 1.048 33.565 32.500 0.029 0.000 1.093 226 K HN 0.359 nan 8.250 nan 0.000 0.454 227 I N 2.388 122.977 120.570 0.032 0.000 2.307 227 I HA 0.069 4.239 4.170 -0.000 0.000 0.289 227 I C 0.519 176.657 176.117 0.036 0.000 1.021 227 I CA -0.013 61.306 61.300 0.032 0.000 1.224 227 I CB 1.469 39.490 38.000 0.035 0.000 1.376 227 I HN 0.649 nan 8.210 nan 0.000 0.470 228 S N 3.871 119.588 115.700 0.029 0.000 2.549 228 S HA 0.225 4.695 4.470 -0.000 0.000 0.225 228 S C 0.379 174.993 174.600 0.023 0.000 1.039 228 S CA -0.192 58.025 58.200 0.027 0.000 0.942 228 S CB 0.219 63.432 63.200 0.022 0.000 0.881 228 S HN 0.606 nan 8.310 nan 0.000 0.503 229 N N 1.212 119.924 118.700 0.020 0.000 2.448 229 N HA 0.361 5.101 4.740 -0.000 0.000 0.279 229 N C -0.280 175.240 175.510 0.018 0.000 1.025 229 N CA -0.239 52.821 53.050 0.016 0.000 0.898 229 N CB 1.931 40.425 38.487 0.012 0.000 1.303 229 N HN 0.059 nan 8.380 nan 0.000 0.495 230 I N 1.858 122.439 120.570 0.019 0.000 3.164 230 I HA -0.150 4.020 4.170 -0.000 0.000 0.278 230 I C 2.305 178.430 176.117 0.013 0.000 1.320 230 I CA 0.745 62.057 61.300 0.020 0.000 1.422 230 I CB 0.046 38.059 38.000 0.023 0.000 1.066 230 I HN 0.433 nan 8.210 nan 0.000 0.503 231 R N 0.879 121.385 120.500 0.010 0.000 2.092 231 R HA -0.181 4.159 4.340 -0.000 0.000 0.231 231 R C 1.850 178.153 176.300 0.005 0.000 1.119 231 R CA 1.634 57.738 56.100 0.006 0.000 0.970 231 R CB -0.078 30.225 30.300 0.005 0.000 0.864 231 R HN 0.478 nan 8.270 nan 0.000 0.440 232 E N -0.151 120.053 120.200 0.007 0.000 2.150 232 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 232 E C 2.011 178.612 176.600 0.003 0.000 0.985 232 E CA 0.955 57.358 56.400 0.004 0.000 0.814 232 E CB 0.026 29.730 29.700 0.006 0.000 0.752 232 E HN 0.307 nan 8.360 nan 0.000 0.466 233 M N 0.570 120.174 119.600 0.007 0.000 2.077 233 M HA -0.115 4.365 4.480 -0.000 0.000 0.261 233 M C 2.422 178.722 176.300 0.001 0.000 1.070 233 M CA 1.267 56.571 55.300 0.007 0.000 1.125 233 M CB -1.114 31.497 32.600 0.018 0.000 1.339 233 M HN 0.157 nan 8.290 nan 0.000 0.409 234 L N 0.168 121.392 121.223 0.003 0.000 2.125 234 L HA -0.313 4.027 4.340 -0.000 0.000 0.234 234 L C -0.221 176.644 176.870 -0.009 0.000 1.110 234 L CA 2.322 57.162 54.840 -0.001 0.000 0.832 234 L CB -2.935 39.124 42.059 -0.000 0.000 0.922 234 L HN 0.216 nan 8.230 nan 0.000 0.449 235 P HA -0.143 nan 4.420 nan 0.000 0.215 235 P C 1.856 179.136 177.300 -0.033 0.000 1.157 235 P CA 1.735 64.823 63.100 -0.021 0.000 0.868 235 P CB -0.043 31.645 31.700 -0.020 0.000 0.788 236 V N 0.153 120.047 119.914 -0.033 0.000 2.453 236 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 236 V C 2.852 178.918 176.094 -0.047 0.000 1.048 236 V CA 1.296 63.566 62.300 -0.051 0.000 1.049 236 V CB -1.171 30.628 31.823 -0.040 0.000 0.672 236 V HN 0.006 nan 8.190 nan 0.000 0.457 237 L N -0.223 120.988 121.223 -0.021 0.000 2.131 237 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 237 L C 2.525 179.388 176.870 -0.011 0.000 1.092 237 L CA 1.518 56.355 54.840 -0.006 0.000 0.759 237 L CB -0.453 41.612 42.059 0.009 0.000 0.903 237 L HN 0.434 nan 8.230 nan 0.000 0.435 238 E N -0.104 120.085 120.200 -0.019 0.000 2.158 238 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 238 E C 2.264 178.844 176.600 -0.034 0.000 0.982 238 E CA 0.839 57.228 56.400 -0.018 0.000 0.823 238 E CB -0.048 29.642 29.700 -0.016 0.000 0.766 238 E HN 0.461 nan 8.360 nan 0.000 0.468 239 A N 0.999 123.782 122.820 -0.062 0.000 1.969 239 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 239 A C 2.359 179.868 177.584 -0.125 0.000 1.169 239 A CA 0.809 52.785 52.037 -0.101 0.000 0.635 239 A CB -0.224 18.690 19.000 -0.144 0.000 0.810 239 A HN 0.102 nan 8.150 nan 0.000 0.445 240 V N -0.597 119.257 119.914 -0.099 0.000 2.788 240 V HA -0.070 4.050 4.120 -0.000 0.000 0.251 240 V C 2.881 178.999 176.094 0.040 0.000 1.068 240 V CA 1.268 63.546 62.300 -0.036 0.000 1.090 240 V CB -0.638 31.192 31.823 0.012 0.000 0.710 240 V HN 0.585 nan 8.190 nan 0.000 0.467 241 A N 0.061 122.891 122.820 0.017 0.000 1.877 241 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 241 A C 1.564 179.168 177.584 0.033 0.000 1.186 241 A CA 1.142 53.197 52.037 0.028 0.000 0.620 241 A CB -0.220 18.789 19.000 0.015 0.000 0.822 241 A HN 0.528 nan 8.150 nan 0.000 0.443 242 K N -2.604 117.807 120.400 0.017 0.000 2.233 242 K HA 0.405 4.724 4.320 -0.000 0.000 0.239 242 K C 1.192 177.824 176.600 0.053 0.000 1.064 242 K CA 0.195 56.496 56.287 0.023 0.000 0.884 242 K CB 0.023 32.525 32.500 0.003 0.000 1.166 242 K HN 0.730 nan 8.250 nan 0.000 0.512 243 A N -0.039 122.821 122.820 0.067 0.000 4.411 243 A HA -0.257 4.062 4.320 -0.000 0.000 0.252 243 A C 1.318 178.980 177.584 0.130 0.000 0.659 243 A CA 2.025 54.137 52.037 0.126 0.000 1.147 243 A CB -2.494 16.635 19.000 0.215 0.000 1.142 243 A HN 1.513 nan 8.150 nan 0.000 0.682 244 G N -0.917 107.948 108.800 0.108 0.000 2.323 244 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.292 244 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.292 244 G C -0.080 174.875 174.900 0.092 0.000 1.040 244 G CA 1.532 46.683 45.100 0.085 0.000 0.942 244 G HN 1.147 nan 8.290 nan 0.000 0.506 245 K N 0.297 120.790 120.400 0.155 0.000 2.281 245 K HA 0.580 4.900 4.320 -0.000 0.000 0.242 245 K C -2.120 174.557 176.600 0.128 0.000 0.971 245 K CA -2.049 54.300 56.287 0.104 0.000 0.834 245 K CB 2.522 35.034 32.500 0.020 0.000 1.181 245 K HN 0.071 nan 8.250 nan 0.000 0.435 246 P HA 0.172 nan 4.420 nan 0.000 0.275 246 P C -1.214 176.148 177.300 0.103 0.000 1.266 246 P CA -0.509 62.630 63.100 0.064 0.000 0.793 246 P CB 0.657 32.370 31.700 0.021 0.000 1.074 247 L N 0.585 121.854 121.223 0.077 0.000 2.470 247 L HA 0.494 4.834 4.340 -0.000 0.000 0.268 247 L C -1.525 175.356 176.870 0.020 0.000 0.964 247 L CA -0.913 53.980 54.840 0.089 0.000 0.839 247 L CB 1.666 43.784 42.059 0.098 0.000 1.276 247 L HN 0.135 nan 8.230 nan 0.000 0.403 248 L N 6.244 127.484 121.223 0.028 0.000 2.272 248 L HA 0.610 4.950 4.340 -0.000 0.000 0.289 248 L C -1.074 175.802 176.870 0.011 0.000 1.032 248 L CA -0.170 54.665 54.840 -0.008 0.000 0.810 248 L CB 1.023 43.090 42.059 0.014 0.000 1.205 248 L HN 0.443 nan 8.230 nan 0.000 0.422 249 I N 7.253 127.810 120.570 -0.021 0.000 2.297 249 I HA 0.283 4.452 4.170 -0.000 0.000 0.291 249 I C -0.160 175.971 176.117 0.024 0.000 1.033 249 I CA -0.153 61.150 61.300 0.005 0.000 1.253 249 I CB 0.795 38.794 38.000 -0.001 0.000 1.396 249 I HN 0.556 nan 8.210 nan 0.000 0.476 250 I N 6.037 126.628 120.570 0.034 0.000 2.405 250 I HA 0.551 4.720 4.170 -0.000 0.000 0.280 250 I C 0.340 176.461 176.117 0.008 0.000 1.027 250 I CA -0.184 61.137 61.300 0.035 0.000 1.161 250 I CB 1.285 39.301 38.000 0.026 0.000 1.300 250 I HN 0.651 nan 8.210 nan 0.000 0.463 251 A N 4.397 127.227 122.820 0.018 0.000 2.437 251 A HA 0.466 4.785 4.320 -0.000 0.000 0.288 251 A C 0.885 178.478 177.584 0.015 0.000 1.201 251 A CA -0.519 51.526 52.037 0.013 0.000 0.795 251 A CB 1.274 20.289 19.000 0.025 0.000 1.359 251 A HN 0.691 nan 8.150 nan 0.000 0.435 252 E N -0.749 119.461 120.200 0.017 0.000 2.153 252 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 252 E C -0.395 176.230 176.600 0.041 0.000 0.988 252 E CA 1.369 57.785 56.400 0.025 0.000 0.811 252 E CB 0.179 29.895 29.700 0.027 0.000 0.746 252 E HN 0.568 nan 8.360 nan 0.000 0.466 253 D N -1.983 118.444 120.400 0.044 0.000 2.798 253 D HA 0.106 4.746 4.640 -0.000 0.000 0.265 253 D C -1.880 174.456 176.300 0.060 0.000 1.223 253 D CA -0.445 53.589 54.000 0.057 0.000 0.743 253 D CB 1.794 42.626 40.800 0.054 0.000 1.276 253 D HN -0.144 nan 8.370 nan 0.000 0.421 254 V N 2.409 122.370 119.914 0.078 0.000 2.419 254 V HA 0.411 4.531 4.120 -0.000 0.000 0.287 254 V C -0.122 176.023 176.094 0.085 0.000 1.017 254 V CA -0.559 61.792 62.300 0.084 0.000 0.844 254 V CB 1.574 33.464 31.823 0.111 0.000 1.011 254 V HN 0.384 nan 8.190 nan 0.000 0.429 255 E N 2.253 122.491 120.200 0.063 0.000 2.264 255 E HA 0.680 5.030 4.350 -0.000 0.000 0.260 255 E C 1.165 177.790 176.600 0.041 0.000 0.961 255 E CA -0.163 56.269 56.400 0.052 0.000 0.834 255 E CB 1.677 31.401 29.700 0.040 0.000 1.230 255 E HN 0.719 nan 8.360 nan 0.000 0.412 256 G N 1.424 110.242 108.800 0.030 0.000 2.738 256 G HA2 -0.490 3.470 3.960 -0.000 0.000 0.391 256 G HA3 -0.490 3.470 3.960 -0.000 0.000 0.391 256 G C 1.190 176.097 174.900 0.011 0.000 1.049 256 G CA 1.247 46.357 45.100 0.016 0.000 0.855 256 G HN 0.733 nan 8.290 nan 0.000 0.757 257 E N 1.016 121.221 120.200 0.008 0.000 2.086 257 E HA -0.251 4.099 4.350 -0.000 0.000 0.205 257 E C 2.967 179.575 176.600 0.013 0.000 1.027 257 E CA 2.476 58.879 56.400 0.005 0.000 0.830 257 E CB -0.638 29.065 29.700 0.006 0.000 0.751 257 E HN 0.677 nan 8.360 nan 0.000 0.456 258 A N 1.160 123.996 122.820 0.026 0.000 1.865 258 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 258 A C 2.267 179.887 177.584 0.061 0.000 1.191 258 A CA 1.695 53.757 52.037 0.041 0.000 0.623 258 A CB -0.853 18.175 19.000 0.046 0.000 0.826 258 A HN 0.369 nan 8.150 nan 0.000 0.444 259 L N -0.235 121.028 121.223 0.068 0.000 2.017 259 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 259 L C 2.709 179.593 176.870 0.023 0.000 1.073 259 L CA 2.321 57.217 54.840 0.093 0.000 0.745 259 L CB -0.859 41.254 42.059 0.090 0.000 0.894 259 L HN 0.365 nan 8.230 nan 0.000 0.432 260 A N -1.534 121.277 122.820 -0.015 0.000 1.883 260 A HA -0.243 4.076 4.320 -0.000 0.000 0.217 260 A C 2.282 179.828 177.584 -0.064 0.000 1.186 260 A CA 2.523 54.519 52.037 -0.067 0.000 0.624 260 A CB -1.319 17.649 19.000 -0.054 0.000 0.822 260 A HN 0.531 nan 8.150 nan 0.000 0.444 261 T N 0.412 114.954 114.554 -0.020 0.000 2.746 261 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 261 T C 1.815 176.523 174.700 0.013 0.000 1.039 261 T CA 1.421 63.517 62.100 -0.008 0.000 1.142 261 T CB -0.359 68.514 68.868 0.009 0.000 0.866 261 T HN 0.369 nan 8.240 nan 0.000 0.444 262 L N 0.710 121.969 121.223 0.060 0.000 2.027 262 L HA -0.066 4.274 4.340 -0.000 0.000 0.206 262 L C 2.674 179.607 176.870 0.105 0.000 1.074 262 L CA 0.923 55.851 54.840 0.146 0.000 0.745 262 L CB -0.787 41.440 42.059 0.281 0.000 0.898 262 L HN 0.129 nan 8.230 nan 0.000 0.433 263 V N -0.591 119.271 119.914 -0.087 0.000 2.453 263 V HA -0.257 3.863 4.120 -0.000 0.000 0.252 263 V C 2.332 178.292 176.094 -0.224 0.000 1.068 263 V CA 1.398 63.480 62.300 -0.363 0.000 1.070 263 V CB -0.332 31.179 31.823 -0.521 0.000 0.664 263 V HN 0.201 nan 8.190 nan 0.000 0.461 264 V N 0.083 119.912 119.914 -0.142 0.000 2.256 264 V HA -0.202 3.918 4.120 -0.000 0.000 0.240 264 V C 2.104 178.177 176.094 -0.035 0.000 1.036 264 V CA 2.258 64.496 62.300 -0.104 0.000 1.008 264 V CB -0.808 30.963 31.823 -0.086 0.000 0.648 264 V HN 0.580 nan 8.190 nan 0.000 0.453 265 N N 0.491 119.190 118.700 -0.001 0.000 2.037 265 N HA -0.252 4.488 4.740 -0.000 0.000 0.196 265 N C 1.853 177.390 175.510 0.046 0.000 1.034 265 N CA 2.140 55.205 53.050 0.026 0.000 0.861 265 N CB -0.291 38.220 38.487 0.041 0.000 1.039 265 N HN 0.689 nan 8.380 nan 0.000 0.427 266 T N -1.032 113.571 114.554 0.082 0.000 2.915 266 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 266 T C 1.506 176.254 174.700 0.079 0.000 1.071 266 T CA 0.727 62.894 62.100 0.111 0.000 1.132 266 T CB -0.128 68.872 68.868 0.221 0.000 0.878 266 T HN 0.162 nan 8.240 nan 0.000 0.479 267 M N 0.650 120.275 119.600 0.043 0.000 2.608 267 M HA 0.316 4.796 4.480 -0.000 0.000 0.224 267 M C 0.864 177.177 176.300 0.022 0.000 1.204 267 M CA 0.120 55.437 55.300 0.029 0.000 0.984 267 M CB -0.129 32.463 32.600 -0.013 0.000 1.691 267 M HN 0.108 nan 8.290 nan 0.000 0.469 268 R N -1.588 118.927 120.500 0.025 0.000 2.544 268 R HA 0.228 4.568 4.340 -0.000 0.000 0.426 268 R C 0.883 177.196 176.300 0.023 0.000 0.943 268 R CA 0.393 56.505 56.100 0.019 0.000 1.162 268 R CB 0.732 31.038 30.300 0.010 0.000 1.588 268 R HN 0.475 nan 8.270 nan 0.000 0.563 269 G N 1.689 110.508 108.800 0.032 0.000 2.196 269 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.268 269 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.268 269 G C 0.412 175.331 174.900 0.031 0.000 0.975 269 G CA 0.423 45.541 45.100 0.031 0.000 0.648 269 G HN 0.342 nan 8.290 nan 0.000 0.538 270 I N 1.292 121.881 120.570 0.032 0.000 2.280 270 I HA 0.377 4.546 4.170 -0.000 0.000 0.287 270 I C 0.532 176.673 176.117 0.041 0.000 1.121 270 I CA -0.319 60.999 61.300 0.030 0.000 1.798 270 I CB -0.244 37.770 38.000 0.024 0.000 1.489 270 I HN 0.114 nan 8.210 nan 0.000 0.805 271 V N 2.636 122.577 119.914 0.045 0.000 3.301 271 V HA -0.184 3.936 4.120 -0.000 0.000 0.474 271 V C -0.046 176.090 176.094 0.069 0.000 0.682 271 V CA -0.126 62.207 62.300 0.055 0.000 2.015 271 V CB -0.942 30.913 31.823 0.054 0.000 2.470 271 V HN 0.618 nan 8.190 nan 0.000 0.499 272 K N 4.104 124.543 120.400 0.067 0.000 2.349 272 K HA 0.700 5.020 4.320 -0.000 0.000 0.289 272 K C -0.263 176.378 176.600 0.069 0.000 1.064 272 K CA -0.040 56.292 56.287 0.075 0.000 0.947 272 K CB 1.320 33.854 32.500 0.056 0.000 1.007 272 K HN 0.567 nan 8.250 nan 0.000 0.478 273 V N 0.940 120.907 119.914 0.089 0.000 3.130 273 V HA 0.890 5.009 4.120 -0.000 0.000 0.310 273 V C -1.082 174.907 176.094 -0.175 0.000 1.158 273 V CA -1.132 61.176 62.300 0.014 0.000 1.029 273 V CB 2.241 34.101 31.823 0.061 0.000 1.057 273 V HN 0.738 nan 8.190 nan 0.000 0.436 274 A N 1.587 124.132 122.820 -0.460 0.000 2.513 274 A HA 0.948 5.268 4.320 -0.000 0.000 0.296 274 A C -0.835 176.331 177.584 -0.697 0.000 1.052 274 A CA 0.010 51.389 52.037 -1.097 0.000 0.714 274 A CB 1.667 20.342 19.000 -0.542 0.000 1.279 274 A HN 1.718 nan 8.150 nan 0.000 0.397 275 A N 1.122 123.465 122.820 -0.795 0.000 2.365 275 A HA 0.913 5.233 4.320 -0.000 0.000 0.318 275 A C -0.280 177.290 177.584 -0.022 0.000 1.091 275 A CA -0.102 51.815 52.037 -0.199 0.000 0.763 275 A CB 1.333 20.326 19.000 -0.011 0.000 1.248 275 A HN 2.343 nan 8.150 nan 0.000 0.442 276 V N -0.733 119.213 119.914 0.053 0.000 2.971 276 V HA 0.595 4.715 4.120 -0.000 0.000 0.309 276 V C -0.580 175.592 176.094 0.129 0.000 1.130 276 V CA -1.241 61.133 62.300 0.124 0.000 0.964 276 V CB 1.499 33.420 31.823 0.165 0.000 1.029 276 V HN 0.871 nan 8.190 nan 0.000 0.427 277 K N 2.140 122.619 120.400 0.131 0.000 2.355 277 K HA 0.617 4.937 4.320 -0.000 0.000 0.270 277 K C 0.560 177.199 176.600 0.066 0.000 1.003 277 K CA 0.389 56.732 56.287 0.094 0.000 0.957 277 K CB 1.182 33.737 32.500 0.091 0.000 0.939 277 K HN 1.139 nan 8.250 nan 0.000 0.482 278 A N 4.083 126.894 122.820 -0.015 0.000 2.406 278 A HA 0.219 4.539 4.320 -0.000 0.000 0.243 278 A C -2.060 175.438 177.584 -0.143 0.000 1.082 278 A CA -1.064 50.882 52.037 -0.152 0.000 0.786 278 A CB -0.333 18.593 19.000 -0.123 0.000 1.029 278 A HN 0.492 nan 8.150 nan 0.000 0.495 279 P HA 0.393 nan 4.420 nan 0.000 0.275 279 P C 0.664 177.941 177.300 -0.039 0.000 1.227 279 P CA 1.406 64.420 63.100 -0.144 0.000 0.781 279 P CB 0.743 32.269 31.700 -0.289 0.000 0.906 280 G N 2.448 111.288 108.800 0.066 0.000 2.645 280 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.239 280 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.239 280 G C -0.744 174.286 174.900 0.217 0.000 1.331 280 G CA 0.170 45.350 45.100 0.133 0.000 0.890 280 G HN 0.770 nan 8.290 nan 0.000 0.572 281 F N -2.809 117.144 119.950 0.006 0.000 2.789 281 F HA 0.791 5.318 4.527 -0.000 0.000 0.319 281 F C 1.017 176.823 175.800 0.010 0.000 1.168 281 F CA 0.430 58.434 58.000 0.008 0.000 0.934 281 F CB 0.795 39.805 39.000 0.018 0.000 1.375 281 F HN 2.517 nan 8.300 nan 0.000 0.480 282 G N 1.232 109.985 108.800 -0.079 0.000 2.566 282 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 282 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 282 G C 0.241 175.034 174.900 -0.177 0.000 1.225 282 G CA 0.657 45.641 45.100 -0.194 0.000 0.966 282 G HN 0.900 nan 8.290 nan 0.000 0.560 283 D N 0.586 120.870 120.400 -0.192 0.000 2.103 283 D HA -0.068 4.571 4.640 -0.000 0.000 0.199 283 D C 2.463 178.679 176.300 -0.140 0.000 0.978 283 D CA 1.485 55.410 54.000 -0.126 0.000 0.829 283 D CB -0.279 40.464 40.800 -0.095 0.000 0.981 283 D HN 0.633 nan 8.370 nan 0.000 0.464 284 R N 1.512 121.897 120.500 -0.192 0.000 2.200 284 R HA -0.093 4.246 4.340 -0.000 0.000 0.234 284 R C 2.124 178.337 176.300 -0.145 0.000 1.127 284 R CA 1.029 57.032 56.100 -0.162 0.000 0.989 284 R CB -0.234 29.958 30.300 -0.180 0.000 0.869 284 R HN 0.043 nan 8.270 nan 0.000 0.459 285 R N 1.148 121.553 120.500 -0.158 0.000 2.092 285 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 285 R C 1.365 177.607 176.300 -0.096 0.000 1.119 285 R CA 1.634 57.669 56.100 -0.109 0.000 0.970 285 R CB -0.026 30.234 30.300 -0.065 0.000 0.864 285 R HN 0.314 nan 8.270 nan 0.000 0.440 286 K N -0.025 120.324 120.400 -0.085 0.000 2.155 286 K HA -0.008 4.312 4.320 -0.000 0.000 0.203 286 K C 2.102 178.660 176.600 -0.069 0.000 1.052 286 K CA 1.068 57.315 56.287 -0.068 0.000 0.948 286 K CB -0.024 32.444 32.500 -0.053 0.000 0.728 286 K HN 0.195 nan 8.250 nan 0.000 0.448 287 A N 1.495 124.270 122.820 -0.075 0.000 1.898 287 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 287 A C 2.131 179.672 177.584 -0.072 0.000 1.181 287 A CA 1.357 53.353 52.037 -0.068 0.000 0.620 287 A CB -0.409 18.550 19.000 -0.069 0.000 0.819 287 A HN 0.161 nan 8.150 nan 0.000 0.442 288 M N -0.802 118.743 119.600 -0.091 0.000 2.229 288 M HA -0.003 4.477 4.480 -0.000 0.000 0.264 288 M C 2.072 178.298 176.300 -0.122 0.000 1.063 288 M CA 0.981 56.218 55.300 -0.105 0.000 1.114 288 M CB -0.345 32.177 32.600 -0.130 0.000 1.387 288 M HN 0.369 nan 8.290 nan 0.000 0.420 289 L N 0.100 121.251 121.223 -0.120 0.000 2.131 289 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 289 L C 2.598 179.423 176.870 -0.074 0.000 1.092 289 L CA 1.280 56.052 54.840 -0.113 0.000 0.759 289 L CB -0.277 41.729 42.059 -0.089 0.000 0.903 289 L HN 0.346 nan 8.230 nan 0.000 0.435 290 Q N 0.092 119.856 119.800 -0.061 0.000 2.062 290 Q HA -0.180 4.160 4.340 -0.000 0.000 0.196 290 Q C 1.679 177.657 176.000 -0.036 0.000 0.967 290 Q CA 1.645 57.424 55.803 -0.041 0.000 0.832 290 Q CB -0.096 28.620 28.738 -0.037 0.000 0.899 290 Q HN 0.364 nan 8.270 nan 0.000 0.442 291 D N 0.187 120.562 120.400 -0.043 0.000 2.133 291 D HA -0.202 4.437 4.640 -0.000 0.000 0.192 291 D C 1.896 178.183 176.300 -0.020 0.000 1.001 291 D CA 1.678 55.660 54.000 -0.031 0.000 0.844 291 D CB -0.295 40.484 40.800 -0.035 0.000 0.944 291 D HN 0.383 nan 8.370 nan 0.000 0.447 292 I N 1.067 121.617 120.570 -0.034 0.000 2.226 292 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 292 I C 2.545 178.663 176.117 0.001 0.000 1.100 292 I CA 1.013 62.306 61.300 -0.011 0.000 1.374 292 I CB -0.366 37.608 38.000 -0.043 0.000 1.057 292 I HN -0.068 nan 8.210 nan 0.000 0.413 293 A N 0.821 123.634 122.820 -0.011 0.000 1.865 293 A HA -0.229 4.090 4.320 -0.000 0.000 0.217 293 A C 2.413 180.000 177.584 0.005 0.000 1.191 293 A CA 2.658 54.695 52.037 -0.000 0.000 0.623 293 A CB -1.216 17.780 19.000 -0.008 0.000 0.826 293 A HN 0.377 nan 8.150 nan 0.000 0.444 294 T N 0.598 115.151 114.554 -0.001 0.000 2.580 294 T HA -0.197 4.153 4.350 -0.000 0.000 0.265 294 T C 1.867 176.571 174.700 0.007 0.000 1.063 294 T CA 1.512 63.613 62.100 0.001 0.000 1.170 294 T CB -0.525 68.341 68.868 -0.004 0.000 0.863 294 T HN 0.346 nan 8.240 nan 0.000 0.418 295 L N 1.635 122.863 121.223 0.009 0.000 2.081 295 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 295 L C 2.248 179.129 176.870 0.018 0.000 1.080 295 L CA 2.617 57.465 54.840 0.014 0.000 0.754 295 L CB -1.393 40.678 42.059 0.021 0.000 0.893 295 L HN 0.532 nan 8.230 nan 0.000 0.433 296 T N -3.983 110.585 114.554 0.023 0.000 3.086 296 T HA 0.282 4.632 4.350 -0.000 0.000 0.250 296 T C 1.242 175.960 174.700 0.030 0.000 1.074 296 T CA 0.369 62.485 62.100 0.027 0.000 0.988 296 T CB -0.112 68.779 68.868 0.038 0.000 0.988 296 T HN 0.591 nan 8.240 nan 0.000 0.530 297 G N 0.558 109.372 108.800 0.025 0.000 2.273 297 G HA2 0.047 4.007 3.960 -0.000 0.000 0.280 297 G HA3 0.047 4.007 3.960 -0.000 0.000 0.280 297 G C 0.303 175.225 174.900 0.036 0.000 1.047 297 G CA -0.136 44.980 45.100 0.027 0.000 0.869 297 G HN 1.052 nan 8.290 nan 0.000 0.502 298 G N -1.727 107.093 108.800 0.033 0.000 2.735 298 G HA2 0.816 4.776 3.960 -0.000 0.000 0.301 298 G HA3 0.816 4.776 3.960 -0.000 0.000 0.301 298 G C -0.491 174.420 174.900 0.019 0.000 1.279 298 G CA 0.104 45.226 45.100 0.036 0.000 1.019 298 G HN 0.641 nan 8.290 nan 0.000 0.497 299 T N 0.208 114.770 114.554 0.014 0.000 2.824 299 T HA 0.453 4.803 4.350 -0.000 0.000 0.282 299 T C -0.071 174.629 174.700 -0.001 0.000 0.993 299 T CA -0.303 61.799 62.100 0.003 0.000 0.967 299 T CB 1.742 70.610 68.868 0.000 0.000 0.960 299 T HN 0.348 nan 8.240 nan 0.000 0.441 300 V N 4.396 124.306 119.914 -0.007 0.000 2.555 300 V HA 0.263 4.382 4.120 -0.000 0.000 0.286 300 V C 0.436 176.524 176.094 -0.010 0.000 1.044 300 V CA -0.369 61.925 62.300 -0.011 0.000 1.026 300 V CB 0.443 32.254 31.823 -0.019 0.000 0.981 300 V HN 0.794 nan 8.190 nan 0.000 0.480 301 I N 5.182 125.746 120.570 -0.009 0.000 2.257 301 I HA 0.188 4.358 4.170 -0.000 0.000 0.290 301 I C 0.569 176.681 176.117 -0.008 0.000 1.137 301 I CA 0.101 61.396 61.300 -0.008 0.000 1.255 301 I CB 0.404 38.400 38.000 -0.007 0.000 1.485 301 I HN 0.705 nan 8.210 nan 0.000 0.534 302 S N 2.662 118.356 115.700 -0.009 0.000 2.499 302 S HA 0.316 4.786 4.470 -0.000 0.000 0.279 302 S C 0.769 175.365 174.600 -0.006 0.000 1.219 302 S CA -0.778 57.417 58.200 -0.008 0.000 1.062 302 S CB 1.891 65.085 63.200 -0.011 0.000 0.978 302 S HN 0.538 nan 8.310 nan 0.000 0.489 303 E N 2.069 122.268 120.200 -0.003 0.000 2.150 303 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 303 E C 1.591 178.190 176.600 -0.002 0.000 0.985 303 E CA 1.279 57.678 56.400 -0.002 0.000 0.814 303 E CB -0.100 29.600 29.700 0.001 0.000 0.752 303 E HN 0.827 nan 8.360 nan 0.000 0.466 304 E N 0.923 121.122 120.200 -0.003 0.000 2.048 304 E HA -0.219 4.131 4.350 -0.000 0.000 0.202 304 E C 1.984 178.581 176.600 -0.004 0.000 1.021 304 E CA 1.189 57.586 56.400 -0.003 0.000 0.825 304 E CB -0.239 29.457 29.700 -0.005 0.000 0.756 304 E HN 0.301 nan 8.360 nan 0.000 0.454 305 I N 0.112 120.679 120.570 -0.006 0.000 3.083 305 I HA -0.078 4.092 4.170 -0.000 0.000 0.273 305 I C 1.269 177.384 176.117 -0.005 0.000 1.297 305 I CA 0.685 61.981 61.300 -0.006 0.000 1.452 305 I CB -0.465 37.531 38.000 -0.007 0.000 1.078 305 I HN 0.340 nan 8.210 nan 0.000 0.484 306 G N 1.245 110.042 108.800 -0.004 0.000 2.137 306 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.237 306 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.237 306 G C 0.190 175.088 174.900 -0.004 0.000 1.002 306 G CA -0.277 44.821 45.100 -0.003 0.000 0.702 306 G HN 0.273 nan 8.290 nan 0.000 0.515 307 M N 0.081 119.678 119.600 -0.005 0.000 2.288 307 M HA 0.527 5.007 4.480 -0.000 0.000 0.334 307 M C 0.383 176.680 176.300 -0.005 0.000 1.150 307 M CA 0.109 55.405 55.300 -0.005 0.000 1.118 307 M CB 0.991 33.587 32.600 -0.007 0.000 1.501 307 M HN 0.230 nan 8.290 nan 0.000 0.462 308 E N 1.429 121.626 120.200 -0.005 0.000 2.238 308 E HA 0.291 4.640 4.350 -0.000 0.000 0.267 308 E C 0.145 176.741 176.600 -0.007 0.000 0.887 308 E CA -0.502 55.895 56.400 -0.005 0.000 0.769 308 E CB 2.183 31.881 29.700 -0.005 0.000 1.187 308 E HN 0.651 nan 8.360 nan 0.000 0.416 309 L N 1.728 122.949 121.223 -0.005 0.000 2.275 309 L HA -0.175 4.164 4.340 -0.000 0.000 0.215 309 L C 1.531 178.395 176.870 -0.010 0.000 1.119 309 L CA 1.150 55.986 54.840 -0.007 0.000 0.790 309 L CB -0.139 41.918 42.059 -0.002 0.000 0.919 309 L HN 0.568 nan 8.230 nan 0.000 0.443 310 E N 0.142 120.337 120.200 -0.009 0.000 2.150 310 E HA -0.132 4.217 4.350 -0.000 0.000 0.193 310 E C 1.462 178.054 176.600 -0.015 0.000 0.985 310 E CA 0.823 57.217 56.400 -0.011 0.000 0.814 310 E CB 0.051 29.747 29.700 -0.008 0.000 0.752 310 E HN 0.246 nan 8.360 nan 0.000 0.466 311 K N 0.487 120.879 120.400 -0.014 0.000 2.504 311 K HA 0.280 4.600 4.320 -0.000 0.000 0.199 311 K C -0.119 176.469 176.600 -0.020 0.000 1.028 311 K CA 0.008 56.285 56.287 -0.016 0.000 1.164 311 K CB 0.613 33.105 32.500 -0.012 0.000 0.877 311 K HN -0.001 nan 8.250 nan 0.000 0.508 312 A N 1.876 124.681 122.820 -0.024 0.000 2.328 312 A HA 0.323 4.643 4.320 -0.000 0.000 0.284 312 A C 0.426 177.983 177.584 -0.046 0.000 1.160 312 A CA -0.364 51.655 52.037 -0.031 0.000 0.818 312 A CB 0.360 19.343 19.000 -0.029 0.000 1.087 312 A HN 0.247 nan 8.150 nan 0.000 0.504 313 T N 0.093 114.615 114.554 -0.053 0.000 2.942 313 T HA 0.500 4.850 4.350 -0.000 0.000 0.289 313 T C 1.004 175.638 174.700 -0.109 0.000 1.044 313 T CA -0.767 61.289 62.100 -0.072 0.000 1.023 313 T CB 0.840 69.675 68.868 -0.054 0.000 1.123 313 T HN 0.372 nan 8.240 nan 0.000 0.512 314 L N 0.216 121.342 121.223 -0.161 0.000 2.351 314 L HA -0.119 4.221 4.340 -0.000 0.000 0.220 314 L C 2.722 179.489 176.870 -0.171 0.000 1.127 314 L CA 1.622 56.296 54.840 -0.277 0.000 0.786 314 L CB -0.335 41.522 42.059 -0.337 0.000 0.914 314 L HN 0.888 nan 8.230 nan 0.000 0.443 315 E N -0.386 119.766 120.200 -0.080 0.000 2.299 315 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 315 E C 1.381 177.978 176.600 -0.006 0.000 0.998 315 E CA 0.503 56.889 56.400 -0.022 0.000 0.851 315 E CB 0.260 29.953 29.700 -0.012 0.000 0.795 315 E HN 0.461 nan 8.360 nan 0.000 0.492 316 D N 0.387 120.773 120.400 -0.023 0.000 2.178 316 D HA -0.086 4.554 4.640 -0.000 0.000 0.202 316 D C 0.379 176.685 176.300 0.010 0.000 0.974 316 D CA 0.390 54.385 54.000 -0.008 0.000 0.841 316 D CB 0.052 40.841 40.800 -0.018 0.000 0.953 316 D HN 0.141 nan 8.370 nan 0.000 0.478 317 L N 0.981 122.207 121.223 0.005 0.000 2.506 317 L HA 0.166 4.506 4.340 -0.000 0.000 0.281 317 L C 1.509 178.458 176.870 0.131 0.000 1.228 317 L CA 0.368 55.245 54.840 0.061 0.000 0.850 317 L CB 0.172 42.252 42.059 0.036 0.000 1.110 317 L HN -0.138 nan 8.230 nan 0.000 0.496 318 G N 1.378 110.257 108.800 0.132 0.000 2.557 318 G HA2 0.532 4.492 3.960 -0.000 0.000 0.292 318 G HA3 0.532 4.492 3.960 -0.000 0.000 0.292 318 G C -0.979 174.005 174.900 0.140 0.000 1.237 318 G CA -0.235 44.932 45.100 0.111 0.000 0.978 318 G HN 0.585 nan 8.290 nan 0.000 0.498 319 Q N -1.807 118.031 119.800 0.064 0.000 2.403 319 Q HA 0.544 4.884 4.340 -0.000 0.000 0.267 319 Q C -1.283 174.699 176.000 -0.030 0.000 0.991 319 Q CA -0.647 55.150 55.803 -0.011 0.000 0.906 319 Q CB 1.947 30.665 28.738 -0.033 0.000 1.422 319 Q HN 1.034 nan 8.270 nan 0.000 0.400 320 A N 2.250 125.033 122.820 -0.062 0.000 2.593 320 A HA 0.503 4.823 4.320 -0.000 0.000 0.290 320 A C -0.578 176.963 177.584 -0.070 0.000 1.126 320 A CA -0.613 51.397 52.037 -0.046 0.000 0.695 320 A CB 1.601 20.588 19.000 -0.022 0.000 1.290 320 A HN 0.794 nan 8.150 nan 0.000 0.414 321 K N -0.615 119.753 120.400 -0.053 0.000 2.217 321 K HA 0.055 4.375 4.320 -0.000 0.000 0.202 321 K C 0.647 177.216 176.600 -0.053 0.000 1.051 321 K CA 1.117 57.370 56.287 -0.057 0.000 0.952 321 K CB 0.177 32.652 32.500 -0.041 0.000 0.736 321 K HN 0.536 nan 8.250 nan 0.000 0.453 322 R N -0.226 120.248 120.500 -0.043 0.000 2.664 322 R HA 0.187 4.527 4.340 -0.000 0.000 0.260 322 R C -2.085 174.196 176.300 -0.032 0.000 1.062 322 R CA -0.614 55.464 56.100 -0.037 0.000 0.902 322 R CB 1.792 32.074 30.300 -0.031 0.000 1.258 322 R HN -0.062 nan 8.270 nan 0.000 0.465 323 V N 0.101 119.997 119.914 -0.031 0.000 2.808 323 V HA 0.817 4.937 4.120 -0.000 0.000 0.308 323 V C -1.332 174.742 176.094 -0.034 0.000 1.099 323 V CA -0.702 61.578 62.300 -0.034 0.000 0.920 323 V CB 2.063 33.870 31.823 -0.026 0.000 1.014 323 V HN 0.426 nan 8.190 nan 0.000 0.425 324 V N 5.523 125.408 119.914 -0.048 0.000 2.540 324 V HA 0.610 4.730 4.120 -0.000 0.000 0.302 324 V C -0.335 175.730 176.094 -0.049 0.000 1.035 324 V CA -0.373 61.907 62.300 -0.033 0.000 0.873 324 V CB 1.771 33.576 31.823 -0.030 0.000 0.992 324 V HN 0.862 nan 8.190 nan 0.000 0.428 325 I N 4.395 124.966 120.570 0.001 0.000 2.436 325 I HA 0.480 4.649 4.170 -0.000 0.000 0.289 325 I C -0.110 176.066 176.117 0.098 0.000 1.010 325 I CA -0.517 60.793 61.300 0.017 0.000 1.098 325 I CB 1.870 39.908 38.000 0.063 0.000 1.266 325 I HN 0.546 nan 8.210 nan 0.000 0.434 326 N N 4.332 123.030 118.700 -0.003 0.000 2.514 326 N HA 0.218 4.958 4.740 -0.000 0.000 0.299 326 N C 0.922 176.252 175.510 -0.300 0.000 1.292 326 N CA -0.484 52.558 53.050 -0.013 0.000 0.963 326 N CB 0.746 39.200 38.487 -0.055 0.000 1.124 326 N HN 0.519 nan 8.380 nan 0.000 0.580 327 K N -0.007 120.176 120.400 -0.362 0.000 2.217 327 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 327 K C -0.511 175.775 176.600 -0.524 0.000 1.051 327 K CA 1.505 57.327 56.287 -0.775 0.000 0.952 327 K CB 0.070 32.423 32.500 -0.243 0.000 0.736 327 K HN 0.596 nan 8.250 nan 0.000 0.453 328 D N -1.345 118.890 120.400 -0.275 0.000 2.712 328 D HA 0.112 4.752 4.640 -0.000 0.000 0.300 328 D C -0.836 175.392 176.300 -0.120 0.000 1.521 328 D CA -0.470 53.432 54.000 -0.163 0.000 0.790 328 D CB 0.983 41.729 40.800 -0.091 0.000 1.155 328 D HN -0.172 nan 8.370 nan 0.000 0.456 329 T N -0.331 114.129 114.554 -0.156 0.000 3.041 329 T HA 0.557 4.907 4.350 -0.000 0.000 0.321 329 T C -1.300 173.242 174.700 -0.263 0.000 1.184 329 T CA -0.409 61.581 62.100 -0.184 0.000 1.050 329 T CB 2.109 70.896 68.868 -0.136 0.000 1.159 329 T HN -0.107 nan 8.240 nan 0.000 0.469 330 T N 2.282 116.536 114.554 -0.501 0.000 2.840 330 T HA 0.619 4.969 4.350 -0.000 0.000 0.287 330 T C -0.619 173.677 174.700 -0.674 0.000 0.991 330 T CA -0.468 61.265 62.100 -0.612 0.000 0.964 330 T CB 1.489 69.832 68.868 -0.876 0.000 0.954 330 T HN 0.592 nan 8.240 nan 0.000 0.438 331 T N 4.160 118.511 114.554 -0.339 0.000 2.847 331 T HA 0.609 4.959 4.350 -0.000 0.000 0.291 331 T C -0.477 174.154 174.700 -0.115 0.000 0.998 331 T CA -0.661 61.308 62.100 -0.218 0.000 0.967 331 T CB 0.078 68.858 68.868 -0.147 0.000 0.954 331 T HN 0.482 nan 8.240 nan 0.000 0.441 332 I N 6.503 127.040 120.570 -0.055 0.000 2.301 332 I HA 0.377 4.546 4.170 -0.000 0.000 0.292 332 I C -0.057 176.056 176.117 -0.007 0.000 1.046 332 I CA -0.607 60.691 61.300 -0.003 0.000 1.282 332 I CB 0.935 38.971 38.000 0.060 0.000 1.409 332 I HN 0.562 nan 8.210 nan 0.000 0.484 333 I N 6.159 126.719 120.570 -0.017 0.000 2.312 333 I HA 0.209 4.378 4.170 -0.000 0.000 0.290 333 I C -0.315 175.792 176.117 -0.016 0.000 1.008 333 I CA -0.320 60.969 61.300 -0.018 0.000 1.226 333 I CB 0.803 38.789 38.000 -0.024 0.000 1.371 333 I HN 0.599 nan 8.210 nan 0.000 0.468 334 D N 4.912 125.306 120.400 -0.011 0.000 3.515 334 D HA -0.105 4.535 4.640 -0.000 0.000 0.247 334 D C 0.190 176.483 176.300 -0.012 0.000 1.084 334 D CA 0.915 54.907 54.000 -0.012 0.000 1.030 334 D CB -0.235 40.555 40.800 -0.017 0.000 0.946 334 D HN 0.810 nan 8.370 nan 0.000 0.420 335 G N 0.458 109.256 108.800 -0.003 0.000 2.539 335 G HA2 0.415 4.375 3.960 -0.000 0.000 0.258 335 G HA3 0.415 4.375 3.960 -0.000 0.000 0.258 335 G C 1.354 176.253 174.900 -0.002 0.000 1.202 335 G CA -0.273 44.827 45.100 0.001 0.000 0.851 335 G HN 0.384 nan 8.290 nan 0.000 0.556 336 V N 1.400 121.314 119.914 0.000 0.000 2.951 336 V HA 0.085 4.204 4.120 -0.000 0.000 0.255 336 V C 2.156 178.255 176.094 0.007 0.000 1.088 336 V CA 0.777 63.078 62.300 0.002 0.000 1.109 336 V CB -1.083 30.743 31.823 0.005 0.000 0.724 336 V HN 0.867 nan 8.190 nan 0.000 0.471 337 G N 1.614 110.420 108.800 0.010 0.000 2.238 337 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.234 337 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.234 337 G C 0.001 174.904 174.900 0.006 0.000 1.181 337 G CA -0.090 45.016 45.100 0.010 0.000 0.871 337 G HN 0.329 nan 8.290 nan 0.000 0.490 338 E N 2.089 122.292 120.200 0.006 0.000 2.376 338 E HA 0.009 4.359 4.350 -0.000 0.000 0.266 338 E C 1.498 178.100 176.600 0.002 0.000 1.009 338 E CA -0.061 56.341 56.400 0.004 0.000 0.902 338 E CB 0.932 30.634 29.700 0.004 0.000 0.972 338 E HN 0.720 nan 8.360 nan 0.000 0.439 339 E N 2.190 122.390 120.200 0.001 0.000 2.147 339 E HA -0.293 4.057 4.350 -0.000 0.000 0.199 339 E C 1.722 178.321 176.600 -0.000 0.000 1.005 339 E CA 1.457 57.857 56.400 -0.000 0.000 0.810 339 E CB -0.064 29.635 29.700 -0.001 0.000 0.736 339 E HN 0.595 nan 8.360 nan 0.000 0.460 340 A N 1.906 124.726 122.820 -0.000 0.000 1.869 340 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 340 A C 2.473 180.056 177.584 -0.001 0.000 1.203 340 A CA 2.351 54.388 52.037 -0.001 0.000 0.638 340 A CB -0.997 18.003 19.000 -0.000 0.000 0.831 340 A HN 0.335 nan 8.150 nan 0.000 0.450 341 A N -0.256 122.564 122.820 -0.000 0.000 1.841 341 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 341 A C 2.166 179.749 177.584 -0.002 0.000 1.199 341 A CA 1.688 53.724 52.037 -0.001 0.000 0.621 341 A CB -0.819 18.182 19.000 0.001 0.000 0.835 341 A HN 0.523 nan 8.150 nan 0.000 0.445 342 I N -0.752 119.817 120.570 -0.001 0.000 2.194 342 I HA -0.313 3.857 4.170 -0.000 0.000 0.246 342 I C 2.784 178.899 176.117 -0.003 0.000 1.093 342 I CA 1.937 63.236 61.300 -0.001 0.000 1.355 342 I CB -0.290 37.711 38.000 0.001 0.000 1.046 342 I HN 0.397 nan 8.210 nan 0.000 0.413 343 Q N 1.088 120.887 119.800 -0.003 0.000 2.172 343 Q HA -0.077 4.263 4.340 -0.000 0.000 0.200 343 Q C 2.054 178.051 176.000 -0.005 0.000 0.964 343 Q CA 1.803 57.603 55.803 -0.004 0.000 0.855 343 Q CB -0.581 28.155 28.738 -0.003 0.000 0.918 343 Q HN 0.471 nan 8.270 nan 0.000 0.444 344 G N -0.172 108.625 108.800 -0.005 0.000 2.421 344 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 344 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 344 G C 1.583 176.479 174.900 -0.008 0.000 1.143 344 G CA 0.696 45.792 45.100 -0.006 0.000 0.784 344 G HN 0.294 nan 8.290 nan 0.000 0.541 345 R N 0.443 120.938 120.500 -0.008 0.000 2.075 345 R HA 0.017 4.357 4.340 -0.000 0.000 0.232 345 R C 2.527 178.820 176.300 -0.012 0.000 1.126 345 R CA 1.389 57.483 56.100 -0.010 0.000 0.963 345 R CB -0.936 29.358 30.300 -0.010 0.000 0.858 345 R HN 0.196 nan 8.270 nan 0.000 0.435 346 V N 0.915 120.823 119.914 -0.010 0.000 2.407 346 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 346 V C 2.358 178.445 176.094 -0.011 0.000 1.055 346 V CA 1.824 64.117 62.300 -0.011 0.000 1.049 346 V CB -0.967 30.851 31.823 -0.009 0.000 0.662 346 V HN 0.525 nan 8.190 nan 0.000 0.455 347 A N -0.589 122.225 122.820 -0.010 0.000 1.883 347 A HA -0.314 4.006 4.320 -0.000 0.000 0.217 347 A C 2.173 179.750 177.584 -0.011 0.000 1.186 347 A CA 2.166 54.198 52.037 -0.009 0.000 0.624 347 A CB -0.498 18.497 19.000 -0.008 0.000 0.822 347 A HN 0.636 nan 8.150 nan 0.000 0.444 348 Q N -0.421 119.372 119.800 -0.012 0.000 1.975 348 Q HA -0.173 4.166 4.340 -0.000 0.000 0.205 348 Q C 2.142 178.132 176.000 -0.017 0.000 0.990 348 Q CA 1.837 57.632 55.803 -0.014 0.000 0.845 348 Q CB -0.456 28.273 28.738 -0.015 0.000 0.913 348 Q HN 0.740 nan 8.270 nan 0.000 0.420 349 I N 0.403 120.962 120.570 -0.019 0.000 2.151 349 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 349 I C 2.651 178.755 176.117 -0.022 0.000 1.080 349 I CA 1.417 62.703 61.300 -0.024 0.000 1.339 349 I CB -0.390 37.595 38.000 -0.026 0.000 1.039 349 I HN 0.182 nan 8.210 nan 0.000 0.409 350 R N 0.697 121.186 120.500 -0.018 0.000 2.117 350 R HA -0.247 4.093 4.340 -0.000 0.000 0.243 350 R C 2.410 178.702 176.300 -0.015 0.000 1.143 350 R CA 1.753 57.844 56.100 -0.016 0.000 0.968 350 R CB -0.239 30.053 30.300 -0.013 0.000 0.863 350 R HN 0.441 nan 8.270 nan 0.000 0.444 351 Q N 0.006 119.797 119.800 -0.013 0.000 2.083 351 Q HA -0.179 4.161 4.340 -0.000 0.000 0.198 351 Q C 1.896 177.889 176.000 -0.013 0.000 0.969 351 Q CA 1.395 57.191 55.803 -0.012 0.000 0.838 351 Q CB 0.122 28.854 28.738 -0.010 0.000 0.900 351 Q HN 0.519 nan 8.270 nan 0.000 0.436 352 Q N 0.194 119.984 119.800 -0.016 0.000 2.234 352 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 352 Q C 2.015 178.004 176.000 -0.018 0.000 0.980 352 Q CA 1.209 57.002 55.803 -0.017 0.000 0.869 352 Q CB -0.091 28.634 28.738 -0.022 0.000 0.912 352 Q HN 0.486 nan 8.270 nan 0.000 0.436 353 I N 0.853 121.411 120.570 -0.020 0.000 2.567 353 I HA -0.228 3.942 4.170 -0.000 0.000 0.257 353 I C 1.851 177.960 176.117 -0.013 0.000 1.184 353 I CA 0.661 61.948 61.300 -0.020 0.000 1.451 353 I CB -0.199 37.788 38.000 -0.022 0.000 1.089 353 I HN 0.190 nan 8.210 nan 0.000 0.441 354 E N 1.159 121.353 120.200 -0.011 0.000 2.033 354 E HA -0.151 4.198 4.350 -0.000 0.000 0.189 354 E C 1.807 178.404 176.600 -0.005 0.000 0.979 354 E CA 1.030 57.426 56.400 -0.007 0.000 0.802 354 E CB -0.377 29.319 29.700 -0.006 0.000 0.763 354 E HN 0.541 nan 8.360 nan 0.000 0.449 355 E N 1.269 121.466 120.200 -0.006 0.000 2.515 355 E HA 0.047 4.397 4.350 -0.000 0.000 0.201 355 E C 0.320 176.918 176.600 -0.002 0.000 1.071 355 E CA 0.186 56.584 56.400 -0.004 0.000 0.880 355 E CB -0.044 29.652 29.700 -0.006 0.000 0.828 355 E HN 0.088 nan 8.360 nan 0.000 0.540 356 A N 1.821 124.639 122.820 -0.004 0.000 2.526 356 A HA 0.004 4.324 4.320 -0.000 0.000 0.267 356 A C 1.201 178.789 177.584 0.007 0.000 1.095 356 A CA 0.393 52.429 52.037 -0.001 0.000 0.775 356 A CB -0.267 18.729 19.000 -0.007 0.000 1.036 356 A HN 0.233 nan 8.150 nan 0.000 0.510 357 T N -0.343 114.219 114.554 0.013 0.000 3.163 357 T HA 0.397 4.747 4.350 -0.000 0.000 0.252 357 T C 0.386 175.102 174.700 0.027 0.000 1.056 357 T CA 0.352 62.462 62.100 0.017 0.000 0.947 357 T CB -0.301 68.576 68.868 0.015 0.000 1.016 357 T HN 0.882 nan 8.240 nan 0.000 0.554 358 S N -0.488 115.233 115.700 0.036 0.000 2.543 358 S HA 0.345 4.815 4.470 -0.000 0.000 0.271 358 S C -0.093 174.546 174.600 0.065 0.000 1.148 358 S CA -0.631 57.605 58.200 0.060 0.000 0.914 358 S CB 1.596 64.851 63.200 0.092 0.000 1.096 358 S HN 0.056 nan 8.310 nan 0.000 0.471 359 D N 2.119 122.563 120.400 0.073 0.000 2.104 359 D HA -0.113 4.527 4.640 -0.000 0.000 0.194 359 D C 1.394 177.747 176.300 0.088 0.000 0.994 359 D CA 1.695 55.734 54.000 0.066 0.000 0.830 359 D CB -0.317 40.523 40.800 0.067 0.000 0.959 359 D HN 0.721 nan 8.370 nan 0.000 0.452 360 Y N 2.118 122.420 120.300 0.004 0.000 2.070 360 Y HA -0.259 4.291 4.550 -0.000 0.000 0.280 360 Y C 1.739 177.639 175.900 -0.001 0.000 1.148 360 Y CA 2.127 60.230 58.100 0.005 0.000 1.125 360 Y CB -0.447 38.019 38.460 0.009 0.000 0.975 360 Y HN -0.133 nan 8.280 nan 0.000 0.492 361 D N -0.395 120.032 120.400 0.044 0.000 2.133 361 D HA -0.203 4.437 4.640 -0.000 0.000 0.195 361 D C 2.288 178.522 176.300 -0.110 0.000 0.997 361 D CA 1.729 55.692 54.000 -0.062 0.000 0.840 361 D CB -0.311 40.510 40.800 0.035 0.000 0.947 361 D HN 0.322 nan 8.370 nan 0.000 0.452 362 R N 0.638 121.103 120.500 -0.058 0.000 2.070 362 R HA -0.142 4.198 4.340 -0.000 0.000 0.233 362 R C 1.967 178.216 176.300 -0.084 0.000 1.137 362 R CA 1.454 57.522 56.100 -0.053 0.000 0.945 362 R CB -0.003 30.284 30.300 -0.021 0.000 0.845 362 R HN 0.259 nan 8.270 nan 0.000 0.430 363 E N 0.183 120.320 120.200 -0.104 0.000 2.085 363 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 363 E C 2.004 178.508 176.600 -0.160 0.000 0.994 363 E CA 0.952 57.284 56.400 -0.113 0.000 0.801 363 E CB 0.001 29.640 29.700 -0.102 0.000 0.743 363 E HN 0.172 nan 8.360 nan 0.000 0.453 364 K N 0.864 121.100 120.400 -0.273 0.000 2.063 364 K HA -0.117 4.202 4.320 -0.000 0.000 0.208 364 K C 2.239 178.748 176.600 -0.153 0.000 1.048 364 K CA 0.907 57.036 56.287 -0.264 0.000 0.928 364 K CB -0.434 31.830 32.500 -0.393 0.000 0.713 364 K HN 0.216 nan 8.250 nan 0.000 0.442 365 L N 0.696 121.842 121.223 -0.127 0.000 2.056 365 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 365 L C 2.572 179.404 176.870 -0.063 0.000 1.078 365 L CA 1.175 55.965 54.840 -0.082 0.000 0.749 365 L CB -0.364 41.656 42.059 -0.066 0.000 0.901 365 L HN 0.220 nan 8.230 nan 0.000 0.433 366 Q N -0.296 119.467 119.800 -0.062 0.000 2.170 366 Q HA -0.222 4.118 4.340 -0.000 0.000 0.203 366 Q C 2.110 178.086 176.000 -0.040 0.000 0.976 366 Q CA 1.360 57.137 55.803 -0.044 0.000 0.858 366 Q CB 0.024 28.738 28.738 -0.040 0.000 0.907 366 Q HN 0.468 nan 8.270 nan 0.000 0.433 367 E N 0.228 120.397 120.200 -0.051 0.000 2.038 367 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 367 E C 2.067 178.650 176.600 -0.028 0.000 1.000 367 E CA 0.927 57.305 56.400 -0.038 0.000 0.803 367 E CB 0.023 29.694 29.700 -0.049 0.000 0.750 367 E HN 0.271 nan 8.360 nan 0.000 0.448 368 R N 0.327 120.805 120.500 -0.037 0.000 2.083 368 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 368 R C 2.679 178.967 176.300 -0.020 0.000 1.137 368 R CA 1.771 57.853 56.100 -0.029 0.000 0.951 368 R CB -0.776 29.499 30.300 -0.042 0.000 0.851 368 R HN 0.228 nan 8.270 nan 0.000 0.434 369 V N -1.272 118.628 119.914 -0.023 0.000 2.343 369 V HA -0.142 3.977 4.120 -0.000 0.000 0.247 369 V C 2.418 178.505 176.094 -0.011 0.000 1.051 369 V CA 1.756 64.046 62.300 -0.017 0.000 1.036 369 V CB -1.216 30.596 31.823 -0.018 0.000 0.654 369 V HN 0.269 nan 8.190 nan 0.000 0.451 370 A N 0.551 123.363 122.820 -0.012 0.000 1.917 370 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 370 A C 2.359 179.942 177.584 -0.002 0.000 1.182 370 A CA 2.518 54.550 52.037 -0.008 0.000 0.633 370 A CB -0.638 18.357 19.000 -0.009 0.000 0.819 370 A HN 0.646 nan 8.150 nan 0.000 0.448 371 K N -1.251 119.151 120.400 0.002 0.000 2.001 371 K HA -0.077 4.243 4.320 -0.000 0.000 0.208 371 K C 1.944 178.552 176.600 0.012 0.000 1.048 371 K CA 1.284 57.579 56.287 0.013 0.000 0.932 371 K CB -0.388 32.128 32.500 0.027 0.000 0.715 371 K HN 0.315 nan 8.250 nan 0.000 0.437 372 L N 1.071 122.298 121.223 0.007 0.000 1.970 372 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 372 L C 2.338 179.210 176.870 0.002 0.000 1.071 372 L CA 1.981 56.825 54.840 0.006 0.000 0.751 372 L CB -0.996 41.062 42.059 -0.001 0.000 0.889 372 L HN 0.183 nan 8.230 nan 0.000 0.432 373 A N -1.063 121.756 122.820 -0.002 0.000 1.933 373 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 373 A C 2.326 179.909 177.584 -0.002 0.000 1.175 373 A CA 1.544 53.580 52.037 -0.003 0.000 0.628 373 A CB -1.356 17.640 19.000 -0.005 0.000 0.814 373 A HN 0.494 nan 8.150 nan 0.000 0.444 374 G N -1.131 107.668 108.800 -0.002 0.000 2.443 374 G HA2 0.322 4.282 3.960 -0.000 0.000 0.219 374 G HA3 0.322 4.282 3.960 -0.000 0.000 0.219 374 G C 1.240 176.138 174.900 -0.003 0.000 1.131 374 G CA 0.860 45.958 45.100 -0.003 0.000 0.775 374 G HN 1.678 nan 8.290 nan 0.000 0.547 375 G N -1.617 107.182 108.800 -0.000 0.000 2.645 375 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.246 375 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.246 375 G C -0.575 174.322 174.900 -0.005 0.000 1.322 375 G CA -0.131 44.968 45.100 -0.001 0.000 0.898 375 G HN 1.093 nan 8.290 nan 0.000 0.573 376 V N 0.306 120.215 119.914 -0.008 0.000 2.668 376 V HA 0.701 4.821 4.120 -0.000 0.000 0.304 376 V C 0.736 176.821 176.094 -0.014 0.000 1.071 376 V CA -0.098 62.194 62.300 -0.013 0.000 0.894 376 V CB 1.224 33.038 31.823 -0.016 0.000 1.008 376 V HN 2.153 nan 8.190 nan 0.000 0.425 377 A N 4.322 127.132 122.820 -0.017 0.000 2.425 377 A HA 0.681 5.001 4.320 -0.000 0.000 0.249 377 A C -0.356 177.218 177.584 -0.017 0.000 1.084 377 A CA -0.122 51.906 52.037 -0.015 0.000 0.781 377 A CB 0.593 19.583 19.000 -0.016 0.000 1.019 377 A HN 0.864 nan 8.150 nan 0.000 0.490 378 V N 4.317 124.222 119.914 -0.014 0.000 2.443 378 V HA 0.295 4.415 4.120 -0.000 0.000 0.293 378 V C -0.340 175.746 176.094 -0.012 0.000 1.021 378 V CA -0.112 62.179 62.300 -0.015 0.000 0.848 378 V CB 1.240 33.054 31.823 -0.014 0.000 0.998 378 V HN 0.736 nan 8.190 nan 0.000 0.424 379 I N 4.919 125.482 120.570 -0.012 0.000 2.331 379 I HA 0.428 4.598 4.170 -0.000 0.000 0.292 379 I C 0.143 176.255 176.117 -0.009 0.000 0.998 379 I CA -0.451 60.843 61.300 -0.009 0.000 1.267 379 I CB 1.240 39.235 38.000 -0.009 0.000 1.386 379 I HN 0.458 nan 8.210 nan 0.000 0.476 380 K N 5.943 126.339 120.400 -0.008 0.000 2.293 380 K HA 0.468 4.788 4.320 -0.000 0.000 0.267 380 K C -0.982 175.615 176.600 -0.006 0.000 1.010 380 K CA -0.682 55.600 56.287 -0.007 0.000 0.875 380 K CB 2.281 34.777 32.500 -0.008 0.000 1.106 380 K HN 0.319 nan 8.250 nan 0.000 0.450 381 V N 2.894 122.805 119.914 -0.005 0.000 2.389 381 V HA 0.223 4.343 4.120 -0.000 0.000 0.264 381 V C 0.822 176.914 176.094 -0.004 0.000 1.049 381 V CA -0.667 61.631 62.300 -0.004 0.000 0.932 381 V CB 0.820 32.642 31.823 -0.002 0.000 1.011 381 V HN 0.893 nan 8.190 nan 0.000 0.475 382 G N 2.904 111.702 108.800 -0.004 0.000 2.477 382 G HA2 0.617 4.577 3.960 -0.000 0.000 0.304 382 G HA3 0.617 4.577 3.960 -0.000 0.000 0.304 382 G C 0.388 175.286 174.900 -0.003 0.000 1.175 382 G CA 0.219 45.317 45.100 -0.003 0.000 0.907 382 G HN 1.077 nan 8.290 nan 0.000 0.509 383 A N -1.028 121.790 122.820 -0.003 0.000 2.260 383 A HA 0.682 5.002 4.320 -0.000 0.000 0.153 383 A C 0.897 178.480 177.584 -0.003 0.000 1.906 383 A CA 1.184 53.220 52.037 -0.003 0.000 1.444 383 A CB -0.546 18.453 19.000 -0.003 0.000 1.615 383 A HN 2.689 nan 8.150 nan 0.000 0.356 384 A N 0.085 122.903 122.820 -0.003 0.000 2.009 384 A HA 0.511 4.831 4.320 -0.000 0.000 0.247 384 A C 0.870 178.452 177.584 -0.003 0.000 1.355 384 A CA 1.199 53.234 52.037 -0.003 0.000 0.696 384 A CB -2.474 16.524 19.000 -0.003 0.000 1.175 384 A HN 3.207 nan 8.150 nan 0.000 0.279 385 T N -1.497 113.055 114.554 -0.003 0.000 0.613 385 T HA -0.018 4.332 4.350 -0.000 0.000 0.768 385 T C 0.243 174.941 174.700 -0.003 0.000 0.991 385 T CA 1.213 63.312 62.100 -0.003 0.000 4.045 385 T CB -1.262 67.604 68.868 -0.002 0.000 2.287 385 T HN 1.916 nan 8.240 nan 0.000 0.397 386 E N 1.500 121.698 120.200 -0.003 0.000 2.114 386 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 386 E C 2.029 178.627 176.600 -0.002 0.000 1.008 386 E CA 2.418 58.817 56.400 -0.003 0.000 0.810 386 E CB -0.143 29.556 29.700 -0.003 0.000 0.739 386 E HN 0.679 nan 8.360 nan 0.000 0.456 387 V N 1.265 121.178 119.914 -0.002 0.000 2.233 387 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 387 V C 2.166 178.259 176.094 -0.002 0.000 1.050 387 V CA 2.420 64.719 62.300 -0.002 0.000 1.010 387 V CB -0.751 31.071 31.823 -0.002 0.000 0.637 387 V HN 0.329 nan 8.190 nan 0.000 0.444 388 E N -0.358 119.841 120.200 -0.002 0.000 2.130 388 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 388 E C 2.180 178.779 176.600 -0.002 0.000 0.998 388 E CA 1.574 57.973 56.400 -0.002 0.000 0.806 388 E CB -0.286 29.413 29.700 -0.002 0.000 0.738 388 E HN 0.447 nan 8.360 nan 0.000 0.459 389 M N 1.181 120.780 119.600 -0.002 0.000 2.067 389 M HA -0.170 4.309 4.480 -0.000 0.000 0.260 389 M C 1.794 178.093 176.300 -0.002 0.000 1.069 389 M CA 1.628 56.927 55.300 -0.002 0.000 1.117 389 M CB -0.215 32.384 32.600 -0.003 0.000 1.334 389 M HN -0.115 nan 8.290 nan 0.000 0.407 390 K N 0.239 120.639 120.400 -0.001 0.000 2.097 390 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 390 K C 1.946 178.546 176.600 -0.000 0.000 1.049 390 K CA 1.123 57.410 56.287 -0.001 0.000 0.933 390 K CB -0.662 31.838 32.500 -0.001 0.000 0.717 390 K HN 0.461 nan 8.250 nan 0.000 0.442 391 E N 1.608 121.807 120.200 -0.001 0.000 2.031 391 E HA -0.189 4.160 4.350 -0.000 0.000 0.193 391 E C 1.992 178.592 176.600 -0.000 0.000 0.994 391 E CA 1.323 57.722 56.400 -0.001 0.000 0.800 391 E CB 0.021 29.720 29.700 -0.002 0.000 0.752 391 E HN 0.190 nan 8.360 nan 0.000 0.447 392 K N 0.898 121.298 120.400 -0.001 0.000 2.097 392 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 392 K C 2.348 178.949 176.600 0.001 0.000 1.049 392 K CA 1.493 57.779 56.287 -0.000 0.000 0.933 392 K CB -0.132 32.367 32.500 -0.001 0.000 0.717 392 K HN -0.050 nan 8.250 nan 0.000 0.442 393 K N 0.278 120.679 120.400 0.001 0.000 2.074 393 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 393 K C 1.941 178.544 176.600 0.005 0.000 1.048 393 K CA 1.436 57.724 56.287 0.002 0.000 0.926 393 K CB -0.213 32.288 32.500 0.001 0.000 0.713 393 K HN 0.223 nan 8.250 nan 0.000 0.444 394 A N 1.513 124.336 122.820 0.005 0.000 1.858 394 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 394 A C 2.119 179.709 177.584 0.009 0.000 1.190 394 A CA 1.542 53.583 52.037 0.007 0.000 0.617 394 A CB -0.536 18.466 19.000 0.004 0.000 0.827 394 A HN 0.353 nan 8.150 nan 0.000 0.443 395 R N -0.724 119.779 120.500 0.006 0.000 2.127 395 R HA -0.090 4.250 4.340 -0.000 0.000 0.238 395 R C 2.018 178.324 176.300 0.010 0.000 1.134 395 R CA 1.388 57.492 56.100 0.006 0.000 0.975 395 R CB -0.500 29.801 30.300 0.002 0.000 0.865 395 R HN 0.425 nan 8.270 nan 0.000 0.447 396 V N 0.938 120.857 119.914 0.009 0.000 2.307 396 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 396 V C 1.992 178.097 176.094 0.019 0.000 1.045 396 V CA 1.745 64.051 62.300 0.010 0.000 1.024 396 V CB -0.389 31.438 31.823 0.006 0.000 0.651 396 V HN 0.328 nan 8.190 nan 0.000 0.449 397 E N -0.259 119.954 120.200 0.022 0.000 2.097 397 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 397 E C 2.044 178.682 176.600 0.064 0.000 1.000 397 E CA 1.594 58.016 56.400 0.037 0.000 0.804 397 E CB -0.153 29.568 29.700 0.036 0.000 0.740 397 E HN 0.577 nan 8.360 nan 0.000 0.454 398 D N -0.132 120.296 120.400 0.048 0.000 2.084 398 D HA -0.115 4.525 4.640 -0.000 0.000 0.196 398 D C 1.954 178.290 176.300 0.060 0.000 0.985 398 D CA 1.299 55.329 54.000 0.050 0.000 0.826 398 D CB -0.138 40.673 40.800 0.018 0.000 0.978 398 D HN 0.138 nan 8.370 nan 0.000 0.456 399 A N 0.892 123.735 122.820 0.038 0.000 1.978 399 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 399 A C 2.159 179.769 177.584 0.043 0.000 1.170 399 A CA 0.986 53.043 52.037 0.033 0.000 0.636 399 A CB -0.626 18.385 19.000 0.018 0.000 0.810 399 A HN 0.259 nan 8.150 nan 0.000 0.448 400 L N -0.989 120.261 121.223 0.044 0.000 2.017 400 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 400 L C 2.359 179.258 176.870 0.048 0.000 1.073 400 L CA 2.477 57.334 54.840 0.029 0.000 0.745 400 L CB -0.853 41.212 42.059 0.010 0.000 0.894 400 L HN 0.560 nan 8.230 nan 0.000 0.432 401 H N -0.438 118.630 119.070 -0.004 0.000 2.387 401 H HA -0.045 4.511 4.556 -0.000 0.000 0.299 401 H C 2.006 177.334 175.328 0.000 0.000 1.090 401 H CA 1.413 57.460 56.048 -0.002 0.000 1.332 401 H CB 0.064 29.824 29.762 -0.003 0.000 1.386 401 H HN 0.489 nan 8.280 nan 0.000 0.516 402 A N -0.246 122.668 122.820 0.157 0.000 1.841 402 A HA -0.146 4.174 4.320 -0.000 0.000 0.214 402 A C 2.683 180.306 177.584 0.067 0.000 1.195 402 A CA 2.151 54.242 52.037 0.089 0.000 0.611 402 A CB -1.048 17.982 19.000 0.049 0.000 0.835 402 A HN 0.456 nan 8.150 nan 0.000 0.443 403 T N -0.398 114.185 114.554 0.047 0.000 2.759 403 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 403 T C 2.147 176.861 174.700 0.023 0.000 1.042 403 T CA 1.367 63.483 62.100 0.027 0.000 1.140 403 T CB -0.283 68.595 68.868 0.017 0.000 0.864 403 T HN 0.278 nan 8.240 nan 0.000 0.455 404 R N 1.206 121.717 120.500 0.019 0.000 2.094 404 R HA -0.034 4.306 4.340 -0.000 0.000 0.239 404 R C 2.662 178.975 176.300 0.021 0.000 1.137 404 R CA 1.930 58.029 56.100 -0.001 0.000 0.943 404 R CB -1.136 29.134 30.300 -0.049 0.000 0.850 404 R HN 0.456 nan 8.270 nan 0.000 0.433 405 A N 0.306 123.158 122.820 0.055 0.000 1.933 405 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 405 A C 2.362 179.969 177.584 0.039 0.000 1.175 405 A CA 1.912 53.985 52.037 0.059 0.000 0.628 405 A CB -0.632 18.421 19.000 0.087 0.000 0.814 405 A HN 0.428 nan 8.150 nan 0.000 0.444 406 A N -0.621 122.219 122.820 0.034 0.000 1.902 406 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 406 A C 2.202 179.797 177.584 0.018 0.000 1.181 406 A CA 1.778 53.830 52.037 0.024 0.000 0.623 406 A CB -0.929 18.084 19.000 0.021 0.000 0.818 406 A HN 0.397 nan 8.150 nan 0.000 0.443 407 V N 0.015 119.938 119.914 0.015 0.000 2.490 407 V HA -0.245 3.875 4.120 -0.000 0.000 0.250 407 V C 2.401 178.502 176.094 0.011 0.000 1.061 407 V CA 2.242 64.548 62.300 0.010 0.000 1.064 407 V CB -0.678 31.148 31.823 0.005 0.000 0.670 407 V HN 0.634 nan 8.190 nan 0.000 0.461 408 E N -0.190 120.019 120.200 0.015 0.000 2.028 408 E HA -0.137 4.213 4.350 -0.000 0.000 0.190 408 E C 1.556 178.165 176.600 0.016 0.000 0.984 408 E CA 1.253 57.662 56.400 0.015 0.000 0.800 408 E CB 0.036 29.747 29.700 0.020 0.000 0.758 408 E HN 0.643 nan 8.360 nan 0.000 0.448 409 E N -0.543 119.668 120.200 0.018 0.000 2.714 409 E HA 0.235 4.585 4.350 -0.000 0.000 0.219 409 E C 0.145 176.754 176.600 0.016 0.000 0.979 409 E CA 0.064 56.474 56.400 0.017 0.000 1.092 409 E CB 1.566 31.277 29.700 0.018 0.000 1.049 409 E HN 0.256 nan 8.360 nan 0.000 0.487 410 G N 1.193 110.002 108.800 0.016 0.000 2.681 410 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 410 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 410 G C -0.239 174.670 174.900 0.016 0.000 1.353 410 G CA -0.432 44.677 45.100 0.015 0.000 0.872 410 G HN 0.493 nan 8.290 nan 0.000 0.557 411 V N -2.666 117.257 119.914 0.015 0.000 3.001 411 V HA 0.979 5.099 4.120 -0.000 0.000 0.314 411 V C 0.577 176.680 176.094 0.015 0.000 1.099 411 V CA 0.063 62.372 62.300 0.015 0.000 0.989 411 V CB 1.314 33.144 31.823 0.013 0.000 1.040 411 V HN 2.431 nan 8.190 nan 0.000 0.434 412 V N -0.639 119.284 119.914 0.015 0.000 3.160 412 V HA 1.010 5.129 4.120 -0.000 0.000 0.310 412 V C 0.476 176.577 176.094 0.013 0.000 1.181 412 V CA -0.719 61.591 62.300 0.016 0.000 1.047 412 V CB 1.256 33.090 31.823 0.017 0.000 1.068 412 V HN 2.060 nan 8.190 nan 0.000 0.441 413 A N 0.869 123.698 122.820 0.015 0.000 2.546 413 A HA 0.616 4.935 4.320 -0.000 0.000 0.243 413 A C 0.870 178.455 177.584 0.002 0.000 1.063 413 A CA 0.751 52.792 52.037 0.008 0.000 0.757 413 A CB -0.539 18.469 19.000 0.013 0.000 0.991 413 A HN 1.964 nan 8.150 nan 0.000 0.503 414 G N 0.558 109.353 108.800 -0.009 0.000 2.574 414 G HA2 0.527 4.487 3.960 -0.000 0.000 0.248 414 G HA3 0.527 4.487 3.960 -0.000 0.000 0.248 414 G C 1.110 176.001 174.900 -0.015 0.000 1.422 414 G CA -0.077 45.016 45.100 -0.011 0.000 1.051 414 G HN 2.235 nan 8.290 nan 0.000 0.560 415 G N -1.827 106.962 108.800 -0.017 0.000 2.258 415 G HA2 0.208 4.168 3.960 -0.000 0.000 0.274 415 G HA3 0.208 4.168 3.960 -0.000 0.000 0.274 415 G C 1.509 176.411 174.900 0.003 0.000 1.021 415 G CA 1.289 46.381 45.100 -0.014 0.000 0.798 415 G HN 2.448 nan 8.290 nan 0.000 0.507 416 G N -2.537 106.265 108.800 0.004 0.000 2.168 416 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.263 416 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.263 416 G C 1.841 176.748 174.900 0.012 0.000 0.977 416 G CA 1.910 47.016 45.100 0.009 0.000 0.659 416 G HN 2.222 nan 8.290 nan 0.000 0.533 417 V N -1.541 118.378 119.914 0.010 0.000 2.649 417 V HA 0.440 4.560 4.120 -0.000 0.000 0.248 417 V C 2.745 178.852 176.094 0.023 0.000 1.054 417 V CA 1.917 64.226 62.300 0.015 0.000 1.073 417 V CB -0.465 31.360 31.823 0.003 0.000 0.699 417 V HN 1.366 nan 8.190 nan 0.000 0.463 418 A N 0.751 123.582 122.820 0.019 0.000 1.908 418 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 418 A C 2.236 179.834 177.584 0.023 0.000 1.181 418 A CA 2.302 54.353 52.037 0.023 0.000 0.627 418 A CB -0.759 18.252 19.000 0.019 0.000 0.818 418 A HN 0.602 nan 8.150 nan 0.000 0.445 419 L N -1.069 120.165 121.223 0.019 0.000 2.083 419 L HA -0.130 4.209 4.340 -0.000 0.000 0.209 419 L C 2.509 179.391 176.870 0.021 0.000 1.083 419 L CA 1.338 56.189 54.840 0.018 0.000 0.752 419 L CB -0.298 41.770 42.059 0.016 0.000 0.899 419 L HN 0.476 nan 8.230 nan 0.000 0.433 420 I N -0.585 119.999 120.570 0.023 0.000 2.439 420 I HA -0.260 3.909 4.170 -0.000 0.000 0.251 420 I C 2.756 178.894 176.117 0.035 0.000 1.139 420 I CA 0.665 61.981 61.300 0.027 0.000 1.438 420 I CB 0.046 38.063 38.000 0.028 0.000 1.085 420 I HN 0.190 nan 8.210 nan 0.000 0.427 421 R N 0.555 121.079 120.500 0.041 0.000 2.070 421 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 421 R C 2.038 178.361 176.300 0.038 0.000 1.138 421 R CA 2.244 58.374 56.100 0.049 0.000 0.936 421 R CB -1.189 29.143 30.300 0.055 0.000 0.839 421 R HN 0.204 nan 8.270 nan 0.000 0.429 422 V N 1.027 120.959 119.914 0.030 0.000 2.392 422 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 422 V C 2.316 178.422 176.094 0.020 0.000 1.059 422 V CA 2.039 64.353 62.300 0.023 0.000 1.051 422 V CB -0.843 30.991 31.823 0.019 0.000 0.658 422 V HN 0.600 nan 8.190 nan 0.000 0.455 423 A N 0.230 123.063 122.820 0.020 0.000 1.930 423 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 423 A C 2.523 180.118 177.584 0.019 0.000 1.175 423 A CA 1.985 54.032 52.037 0.017 0.000 0.627 423 A CB -0.733 18.277 19.000 0.017 0.000 0.815 423 A HN 0.702 nan 8.150 nan 0.000 0.443 424 S N -0.113 115.601 115.700 0.024 0.000 2.442 424 S HA -0.142 4.328 4.470 -0.000 0.000 0.236 424 S C 1.644 176.257 174.600 0.021 0.000 1.007 424 S CA 1.531 59.746 58.200 0.025 0.000 0.965 424 S CB -0.338 62.883 63.200 0.035 0.000 0.773 424 S HN 0.598 nan 8.310 nan 0.000 0.504 425 K N 0.468 120.881 120.400 0.021 0.000 2.418 425 K HA 0.279 4.599 4.320 -0.000 0.000 0.195 425 K C 0.823 177.431 176.600 0.013 0.000 1.035 425 K CA 0.410 56.707 56.287 0.017 0.000 1.003 425 K CB -0.116 32.395 32.500 0.018 0.000 0.793 425 K HN 0.423 nan 8.250 nan 0.000 0.494 426 L N 0.123 121.353 121.223 0.012 0.000 2.791 426 L HA 0.225 4.564 4.340 -0.000 0.000 0.239 426 L C 1.712 178.587 176.870 0.008 0.000 1.203 426 L CA -0.325 54.520 54.840 0.009 0.000 1.002 426 L CB 0.139 42.203 42.059 0.008 0.000 1.295 426 L HN 0.053 nan 8.230 nan 0.000 0.504 427 A N 0.335 123.160 122.820 0.009 0.000 1.917 427 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 427 A C 1.724 179.312 177.584 0.006 0.000 1.182 427 A CA 1.921 53.963 52.037 0.008 0.000 0.633 427 A CB -0.214 18.791 19.000 0.008 0.000 0.819 427 A HN 0.393 nan 8.150 nan 0.000 0.448 428 D N -0.914 119.489 120.400 0.005 0.000 2.349 428 D HA 0.098 4.737 4.640 -0.000 0.000 0.224 428 D C 0.390 176.692 176.300 0.004 0.000 1.029 428 D CA -0.135 53.867 54.000 0.004 0.000 0.879 428 D CB -0.242 40.560 40.800 0.004 0.000 0.906 428 D HN 0.347 nan 8.370 nan 0.000 0.528 429 L N 2.101 123.327 121.223 0.004 0.000 2.513 429 L HA 0.036 4.375 4.340 -0.000 0.000 0.272 429 L C 0.205 177.077 176.870 0.003 0.000 1.187 429 L CA 0.570 55.412 54.840 0.003 0.000 0.895 429 L CB 0.089 42.150 42.059 0.004 0.000 1.147 429 L HN -0.203 nan 8.230 nan 0.000 0.483 430 R N 3.290 123.792 120.500 0.002 0.000 2.888 430 R HA 0.730 5.070 4.340 -0.000 0.000 0.264 430 R C -0.146 176.156 176.300 0.002 0.000 1.045 430 R CA -0.335 55.766 56.100 0.002 0.000 0.962 430 R CB 1.423 31.725 30.300 0.002 0.000 1.210 430 R HN 0.799 nan 8.270 nan 0.000 0.479 431 G N -0.423 108.378 108.800 0.002 0.000 3.122 431 G HA2 0.199 4.159 3.960 -0.000 0.000 0.180 431 G HA3 0.199 4.159 3.960 -0.000 0.000 0.180 431 G C -0.066 174.835 174.900 0.001 0.000 1.279 431 G CA -0.236 44.865 45.100 0.002 0.000 0.987 431 G HN 0.406 nan 8.290 nan 0.000 0.589 432 Q N -0.353 119.448 119.800 0.002 0.000 2.392 432 Q HA 0.172 4.512 4.340 -0.000 0.000 0.203 432 Q C -0.261 175.740 176.000 0.002 0.000 0.917 432 Q CA 0.389 56.193 55.803 0.001 0.000 0.939 432 Q CB 0.195 28.934 28.738 0.001 0.000 1.063 432 Q HN 0.603 nan 8.270 nan 0.000 0.516 433 N N -2.537 116.164 118.700 0.002 0.000 3.046 433 N HA 0.006 4.746 4.740 -0.000 0.000 0.243 433 N C -0.205 175.306 175.510 0.002 0.000 1.452 433 N CA -0.526 52.525 53.050 0.002 0.000 0.882 433 N CB 0.442 38.930 38.487 0.002 0.000 1.425 433 N HN -0.305 nan 8.380 nan 0.000 0.517 434 E N -0.247 119.954 120.200 0.002 0.000 2.160 434 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 434 E C 0.419 177.021 176.600 0.002 0.000 0.991 434 E CA 1.558 57.959 56.400 0.002 0.000 0.810 434 E CB -0.276 29.425 29.700 0.002 0.000 0.742 434 E HN 0.595 nan 8.360 nan 0.000 0.466 435 D N -0.050 120.351 120.400 0.003 0.000 2.117 435 D HA -0.139 4.500 4.640 -0.000 0.000 0.197 435 D C 1.843 178.145 176.300 0.003 0.000 0.987 435 D CA 0.968 54.970 54.000 0.003 0.000 0.829 435 D CB -0.154 40.648 40.800 0.004 0.000 0.961 435 D HN 0.387 nan 8.370 nan 0.000 0.460 436 Q N 0.094 119.896 119.800 0.003 0.000 2.167 436 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 436 Q C 1.695 177.697 176.000 0.003 0.000 0.970 436 Q CA 0.573 56.377 55.803 0.003 0.000 0.855 436 Q CB -0.028 28.711 28.738 0.003 0.000 0.911 436 Q HN 0.242 nan 8.270 nan 0.000 0.438 437 N N 0.309 119.011 118.700 0.003 0.000 2.188 437 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 437 N C 1.842 177.354 175.510 0.003 0.000 1.018 437 N CA 0.830 53.881 53.050 0.003 0.000 0.858 437 N CB -0.146 38.343 38.487 0.003 0.000 0.989 437 N HN 0.040 nan 8.380 nan 0.000 0.426 438 V N 0.727 120.643 119.914 0.003 0.000 2.358 438 V HA -0.105 4.015 4.120 -0.000 0.000 0.246 438 V C 2.422 178.519 176.094 0.004 0.000 1.047 438 V CA 1.931 64.233 62.300 0.004 0.000 1.035 438 V CB -1.159 30.666 31.823 0.004 0.000 0.658 438 V HN 0.315 nan 8.190 nan 0.000 0.452 439 G N -0.010 108.792 108.800 0.004 0.000 2.469 439 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 439 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 439 G C 1.570 176.473 174.900 0.004 0.000 1.150 439 G CA 1.185 46.288 45.100 0.005 0.000 0.763 439 G HN 0.483 nan 8.290 nan 0.000 0.561 440 I N 0.209 120.781 120.570 0.004 0.000 2.179 440 I HA -0.139 4.031 4.170 -0.000 0.000 0.242 440 I C 2.705 178.825 176.117 0.005 0.000 1.088 440 I CA 1.048 62.350 61.300 0.004 0.000 1.357 440 I CB -0.132 37.870 38.000 0.003 0.000 1.051 440 I HN 0.036 nan 8.210 nan 0.000 0.409 441 K N 0.516 120.919 120.400 0.005 0.000 2.148 441 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 441 K C 2.124 178.727 176.600 0.005 0.000 1.050 441 K CA 0.923 57.212 56.287 0.005 0.000 0.942 441 K CB -0.582 31.921 32.500 0.004 0.000 0.724 441 K HN 0.210 nan 8.250 nan 0.000 0.446 442 V N 1.659 121.576 119.914 0.005 0.000 2.332 442 V HA -0.259 3.860 4.120 -0.000 0.000 0.248 442 V C 2.460 178.558 176.094 0.007 0.000 1.055 442 V CA 2.058 64.361 62.300 0.006 0.000 1.038 442 V CB -0.713 31.113 31.823 0.006 0.000 0.651 442 V HN 0.296 nan 8.190 nan 0.000 0.450 443 A N -0.452 122.372 122.820 0.006 0.000 1.898 443 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 443 A C 2.187 179.776 177.584 0.007 0.000 1.181 443 A CA 1.523 53.564 52.037 0.007 0.000 0.620 443 A CB -0.484 18.520 19.000 0.005 0.000 0.819 443 A HN 0.487 nan 8.150 nan 0.000 0.442 444 L N -1.204 120.023 121.223 0.007 0.000 2.083 444 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 444 L C 2.882 179.757 176.870 0.009 0.000 1.083 444 L CA 1.508 56.353 54.840 0.008 0.000 0.752 444 L CB -0.518 41.546 42.059 0.008 0.000 0.899 444 L HN 0.378 nan 8.230 nan 0.000 0.433 445 R N -0.125 120.379 120.500 0.008 0.000 2.066 445 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 445 R C 2.449 178.754 176.300 0.008 0.000 1.131 445 R CA 1.328 57.433 56.100 0.007 0.000 0.955 445 R CB -0.389 29.915 30.300 0.006 0.000 0.851 445 R HN 0.342 nan 8.270 nan 0.000 0.432 446 A N 0.779 123.604 122.820 0.008 0.000 1.978 446 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 446 A C 2.034 179.624 177.584 0.010 0.000 1.170 446 A CA 1.388 53.431 52.037 0.009 0.000 0.636 446 A CB -0.448 18.558 19.000 0.010 0.000 0.810 446 A HN 0.259 nan 8.150 nan 0.000 0.448 447 M N -0.716 118.890 119.600 0.010 0.000 2.629 447 M HA -0.121 4.359 4.480 -0.000 0.000 0.257 447 M C 1.317 177.624 176.300 0.012 0.000 1.071 447 M CA 1.054 56.361 55.300 0.012 0.000 1.077 447 M CB -0.208 32.399 32.600 0.012 0.000 1.423 447 M HN 0.478 nan 8.290 nan 0.000 0.508 448 E N -0.192 120.014 120.200 0.010 0.000 2.452 448 E HA 0.077 4.427 4.350 -0.000 0.000 0.197 448 E C 2.007 178.611 176.600 0.006 0.000 1.022 448 E CA 0.279 56.684 56.400 0.008 0.000 0.890 448 E CB 0.162 29.867 29.700 0.007 0.000 0.918 448 E HN 0.465 nan 8.360 nan 0.000 0.496 449 A N 2.495 125.318 122.820 0.006 0.000 1.873 449 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 449 A C -0.344 177.243 177.584 0.005 0.000 1.193 449 A CA 1.462 53.502 52.037 0.005 0.000 0.629 449 A CB -1.522 17.482 19.000 0.007 0.000 0.826 449 A HN 0.123 nan 8.150 nan 0.000 0.447 450 P HA -0.187 nan 4.420 nan 0.000 0.213 450 P C 1.875 179.179 177.300 0.007 0.000 1.170 450 P CA 1.172 64.276 63.100 0.007 0.000 0.902 450 P CB -0.164 31.541 31.700 0.009 0.000 0.789 451 L N -0.823 120.405 121.223 0.008 0.000 1.989 451 L HA -0.243 4.097 4.340 -0.000 0.000 0.211 451 L C 2.539 179.409 176.870 0.000 0.000 1.071 451 L CA 1.845 56.691 54.840 0.009 0.000 0.749 451 L CB -0.367 41.697 42.059 0.008 0.000 0.890 451 L HN -0.181 nan 8.230 nan 0.000 0.431 452 R N -0.785 119.711 120.500 -0.007 0.000 2.103 452 R HA -0.271 4.069 4.340 -0.000 0.000 0.242 452 R C 2.327 178.621 176.300 -0.009 0.000 1.142 452 R CA 1.977 58.069 56.100 -0.015 0.000 0.960 452 R CB -0.404 29.889 30.300 -0.011 0.000 0.858 452 R HN 0.406 nan 8.270 nan 0.000 0.439 453 Q N 0.944 120.743 119.800 -0.002 0.000 2.050 453 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 453 Q C 1.847 177.851 176.000 0.006 0.000 0.980 453 Q CA 1.638 57.442 55.803 0.001 0.000 0.840 453 Q CB -0.183 28.556 28.738 0.002 0.000 0.898 453 Q HN 0.359 nan 8.270 nan 0.000 0.424 454 I N -0.690 119.887 120.570 0.011 0.000 2.127 454 I HA -0.305 3.865 4.170 -0.000 0.000 0.241 454 I C 2.099 178.237 176.117 0.035 0.000 1.075 454 I CA 1.239 62.552 61.300 0.022 0.000 1.334 454 I CB -0.498 37.520 38.000 0.030 0.000 1.040 454 I HN 0.070 nan 8.210 nan 0.000 0.405 455 V N 0.721 120.653 119.914 0.031 0.000 2.332 455 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 455 V C 2.409 178.508 176.094 0.008 0.000 1.055 455 V CA 1.756 64.067 62.300 0.020 0.000 1.038 455 V CB -0.605 31.172 31.823 -0.077 0.000 0.651 455 V HN 0.358 nan 8.190 nan 0.000 0.450 456 L N 0.867 122.089 121.223 -0.001 0.000 2.017 456 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 456 L C 2.227 179.101 176.870 0.007 0.000 1.073 456 L CA 1.981 56.820 54.840 -0.001 0.000 0.745 456 L CB -0.897 41.160 42.059 -0.003 0.000 0.894 456 L HN 0.321 nan 8.230 nan 0.000 0.432 457 N N -1.087 117.618 118.700 0.010 0.000 2.272 457 N HA -0.173 4.567 4.740 -0.000 0.000 0.185 457 N C 1.688 177.207 175.510 0.015 0.000 1.014 457 N CA 1.579 54.635 53.050 0.010 0.000 0.870 457 N CB -0.737 37.755 38.487 0.008 0.000 0.975 457 N HN 0.432 nan 8.380 nan 0.000 0.433 458 C N -0.519 118.797 119.300 0.027 0.000 2.562 458 C HA 0.267 4.727 4.460 -0.000 0.000 0.266 458 C C 1.614 176.624 174.990 0.033 0.000 1.382 458 C CA 0.262 59.302 59.018 0.037 0.000 1.742 458 C CB -1.129 26.656 27.740 0.077 0.000 1.812 458 C HN 0.617 nan 8.230 nan 0.000 0.559 459 G N 1.236 110.049 108.800 0.022 0.000 2.160 459 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.244 459 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.244 459 G C -0.294 174.616 174.900 0.016 0.000 1.022 459 G CA 0.143 45.253 45.100 0.016 0.000 0.741 459 G HN 0.508 nan 8.290 nan 0.000 0.508 460 E N -0.042 120.165 120.200 0.011 0.000 2.264 460 E HA 0.450 4.800 4.350 -0.000 0.000 0.260 460 E C 0.086 176.667 176.600 -0.031 0.000 0.961 460 E CA -0.851 55.545 56.400 -0.007 0.000 0.834 460 E CB 0.789 30.478 29.700 -0.019 0.000 1.230 460 E HN 0.460 nan 8.360 nan 0.000 0.412 461 E N 1.805 121.980 120.200 -0.042 0.000 2.070 461 E HA 0.102 4.452 4.350 -0.000 0.000 0.282 461 E C -1.702 174.858 176.600 -0.066 0.000 1.104 461 E CA -1.542 54.834 56.400 -0.041 0.000 0.876 461 E CB 0.791 30.475 29.700 -0.027 0.000 1.055 461 E HN 0.124 nan 8.360 nan 0.000 0.401 462 P HA -0.273 nan 4.420 nan 0.000 0.214 462 P C 1.381 178.648 177.300 -0.055 0.000 1.163 462 P CA 1.469 64.531 63.100 -0.062 0.000 0.889 462 P CB 0.181 31.860 31.700 -0.036 0.000 0.790 463 S N -1.248 114.431 115.700 -0.035 0.000 2.400 463 S HA -0.135 4.334 4.470 -0.000 0.000 0.232 463 S C 1.977 176.562 174.600 -0.025 0.000 1.025 463 S CA 1.536 59.722 58.200 -0.024 0.000 0.993 463 S CB -1.754 61.436 63.200 -0.015 0.000 0.808 463 S HN -0.038 nan 8.310 nan 0.000 0.478 464 V N 1.459 121.353 119.914 -0.034 0.000 2.283 464 V HA -0.088 4.032 4.120 -0.000 0.000 0.243 464 V C 2.637 178.715 176.094 -0.026 0.000 1.039 464 V CA 1.433 63.717 62.300 -0.027 0.000 1.016 464 V CB -0.817 30.991 31.823 -0.025 0.000 0.650 464 V HN 0.424 nan 8.190 nan 0.000 0.449 465 V N 0.447 120.309 119.914 -0.087 0.000 2.287 465 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 465 V C 2.772 178.850 176.094 -0.027 0.000 1.053 465 V CA 2.165 64.389 62.300 -0.126 0.000 1.027 465 V CB -1.192 30.336 31.823 -0.491 0.000 0.646 465 V HN 0.557 nan 8.190 nan 0.000 0.447 466 A N 0.409 123.202 122.820 -0.045 0.000 1.873 466 A HA -0.365 3.955 4.320 -0.000 0.000 0.218 466 A C 2.063 179.663 177.584 0.027 0.000 1.193 466 A CA 2.692 54.725 52.037 -0.005 0.000 0.629 466 A CB -1.014 17.979 19.000 -0.012 0.000 0.826 466 A HN 0.646 nan 8.150 nan 0.000 0.447 467 N N -0.931 117.780 118.700 0.018 0.000 2.104 467 N HA -0.127 4.613 4.740 -0.000 0.000 0.190 467 N C 1.694 177.229 175.510 0.043 0.000 1.024 467 N CA 2.373 55.437 53.050 0.023 0.000 0.853 467 N CB -0.423 38.069 38.487 0.007 0.000 1.008 467 N HN 0.423 nan 8.380 nan 0.000 0.424 468 T N -0.444 114.142 114.554 0.053 0.000 2.737 468 T HA -0.068 4.281 4.350 -0.000 0.000 0.265 468 T C 1.945 176.756 174.700 0.186 0.000 1.038 468 T CA 1.339 63.475 62.100 0.060 0.000 1.144 468 T CB -0.453 68.383 68.868 -0.054 0.000 0.866 468 T HN 0.031 nan 8.240 nan 0.000 0.434 469 V N 1.716 121.763 119.914 0.221 0.000 2.332 469 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 469 V C 2.439 178.652 176.094 0.199 0.000 1.055 469 V CA 1.639 64.067 62.300 0.213 0.000 1.038 469 V CB -0.563 31.328 31.823 0.113 0.000 0.651 469 V HN 0.490 nan 8.190 nan 0.000 0.450 470 K N 0.316 120.791 120.400 0.126 0.000 2.063 470 K HA -0.125 4.194 4.320 -0.000 0.000 0.208 470 K C 2.239 178.898 176.600 0.099 0.000 1.048 470 K CA 1.456 57.800 56.287 0.094 0.000 0.928 470 K CB -0.677 31.858 32.500 0.057 0.000 0.713 470 K HN 0.571 nan 8.250 nan 0.000 0.442 471 G N 1.088 109.947 108.800 0.099 0.000 2.479 471 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.220 471 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.220 471 G C 0.799 175.731 174.900 0.054 0.000 1.115 471 G CA 0.820 45.957 45.100 0.061 0.000 0.757 471 G HN 0.384 nan 8.290 nan 0.000 0.560 472 G N -1.124 107.769 108.800 0.156 0.000 2.509 472 G HA2 0.491 4.451 3.960 -0.000 0.000 0.269 472 G HA3 0.491 4.451 3.960 -0.000 0.000 0.269 472 G C -0.868 174.088 174.900 0.093 0.000 1.416 472 G CA -0.388 44.758 45.100 0.076 0.000 1.052 472 G HN 0.146 nan 8.290 nan 0.000 0.542 473 D N -2.268 118.184 120.400 0.088 0.000 2.559 473 D HA 0.493 5.132 4.640 -0.000 0.000 0.250 473 D C 0.936 177.310 176.300 0.122 0.000 1.135 473 D CA 0.566 54.614 54.000 0.080 0.000 0.955 473 D CB 1.871 42.682 40.800 0.018 0.000 1.442 473 D HN 0.788 nan 8.370 nan 0.000 0.471 474 G N 1.212 110.062 108.800 0.083 0.000 2.684 474 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.332 474 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.332 474 G C 0.319 175.280 174.900 0.103 0.000 1.306 474 G CA 0.741 45.889 45.100 0.080 0.000 1.002 474 G HN 0.610 nan 8.290 nan 0.000 0.545 475 N N 0.006 118.768 118.700 0.103 0.000 2.378 475 N HA 0.354 5.094 4.740 -0.000 0.000 0.243 475 N C -0.134 175.455 175.510 0.132 0.000 1.137 475 N CA -0.092 53.014 53.050 0.093 0.000 0.862 475 N CB 0.243 38.766 38.487 0.060 0.000 1.116 475 N HN 0.519 nan 8.380 nan 0.000 0.499 476 Y N 0.929 121.261 120.300 0.053 0.000 2.377 476 Y HA 0.540 5.090 4.550 -0.000 0.000 0.330 476 Y C 0.672 176.634 175.900 0.104 0.000 1.108 476 Y CA -0.079 58.068 58.100 0.077 0.000 1.308 476 Y CB 0.262 38.769 38.460 0.078 0.000 1.216 476 Y HN 0.082 nan 8.280 nan 0.000 0.518 477 G N 3.938 112.432 108.800 -0.510 0.000 2.554 477 G HA2 0.220 4.180 3.960 -0.000 0.000 0.306 477 G HA3 0.220 4.180 3.960 -0.000 0.000 0.306 477 G C -2.486 172.202 174.900 -0.353 0.000 1.320 477 G CA -1.016 43.869 45.100 -0.359 0.000 0.800 477 G HN 0.606 nan 8.290 nan 0.000 0.481 478 Y N 1.503 121.551 120.300 -0.420 0.000 2.326 478 Y HA 0.594 5.144 4.550 -0.000 0.000 0.337 478 Y C 0.072 175.754 175.900 -0.363 0.000 1.023 478 Y CA -1.219 56.511 58.100 -0.617 0.000 1.143 478 Y CB 1.502 39.573 38.460 -0.648 0.000 1.183 478 Y HN 0.412 nan 8.280 nan 0.000 0.485 479 N N 5.151 123.388 118.700 -0.772 0.000 2.602 479 N HA 0.164 4.903 4.740 -0.000 0.000 0.238 479 N C 0.589 175.580 175.510 -0.866 0.000 1.084 479 N CA 0.557 53.260 53.050 -0.578 0.000 0.952 479 N CB 0.957 39.211 38.487 -0.388 0.000 1.244 479 N HN 0.934 nan 8.380 nan 0.000 0.512 480 A N 3.629 126.063 122.820 -0.643 0.000 1.997 480 A HA -0.187 4.132 4.320 -0.000 0.000 0.221 480 A C 2.109 179.519 177.584 -0.290 0.000 1.172 480 A CA 2.049 53.833 52.037 -0.422 0.000 0.645 480 A CB -0.630 18.341 19.000 -0.049 0.000 0.813 480 A HN 0.691 nan 8.150 nan 0.000 0.454 481 A N -0.775 121.901 122.820 -0.240 0.000 1.902 481 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 481 A C 2.318 179.805 177.584 -0.161 0.000 1.181 481 A CA 2.421 54.365 52.037 -0.155 0.000 0.623 481 A CB -0.946 17.981 19.000 -0.122 0.000 0.818 481 A HN 0.896 nan 8.150 nan 0.000 0.443 482 T N -4.073 110.347 114.554 -0.224 0.000 3.054 482 T HA 0.265 4.615 4.350 -0.000 0.000 0.255 482 T C 0.274 174.850 174.700 -0.207 0.000 1.035 482 T CA 0.700 62.694 62.100 -0.176 0.000 0.941 482 T CB -0.213 68.569 68.868 -0.144 0.000 1.026 482 T HN 0.576 nan 8.240 nan 0.000 0.533 483 E N 0.766 120.732 120.200 -0.389 0.000 2.791 483 E HA -0.134 4.216 4.350 -0.000 0.000 0.271 483 E C -0.901 175.556 176.600 -0.237 0.000 1.044 483 E CA 0.561 56.751 56.400 -0.350 0.000 0.814 483 E CB -1.082 28.616 29.700 -0.003 0.000 1.400 483 E HN 0.596 nan 8.360 nan 0.000 0.423 484 E N 0.009 119.992 120.200 -0.360 0.000 2.199 484 E HA 0.365 4.715 4.350 -0.000 0.000 0.269 484 E C -0.461 176.025 176.600 -0.190 0.000 0.899 484 E CA -0.619 55.707 56.400 -0.123 0.000 0.772 484 E CB 0.848 30.513 29.700 -0.059 0.000 1.155 484 E HN 0.047 nan 8.360 nan 0.000 0.408 485 Y N 0.373 120.682 120.300 0.016 0.000 2.316 485 Y HA 0.605 5.155 4.550 -0.000 0.000 0.324 485 Y C 1.288 177.197 175.900 0.015 0.000 1.267 485 Y CA 0.458 58.535 58.100 -0.038 0.000 1.311 485 Y CB 1.587 40.072 38.460 0.041 0.000 1.267 485 Y HN 0.675 nan 8.280 nan 0.000 0.516 486 G N 0.714 109.573 108.800 0.098 0.000 2.344 486 G HA2 -0.042 3.917 3.960 -0.000 0.000 0.282 486 G HA3 -0.042 3.917 3.960 -0.000 0.000 0.282 486 G C -1.755 173.242 174.900 0.162 0.000 1.281 486 G CA -1.195 44.039 45.100 0.224 0.000 0.877 486 G HN 0.537 nan 8.290 nan 0.000 0.494 487 N N 1.213 120.000 118.700 0.144 0.000 2.401 487 N HA 0.134 4.874 4.740 -0.000 0.000 0.255 487 N C 1.766 177.297 175.510 0.035 0.000 1.110 487 N CA -0.494 52.620 53.050 0.107 0.000 0.949 487 N CB 0.791 39.334 38.487 0.093 0.000 1.110 487 N HN 0.381 nan 8.380 nan 0.000 0.490 488 M N 3.481 123.087 119.600 0.011 0.000 2.144 488 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 488 M C 1.615 177.909 176.300 -0.009 0.000 1.067 488 M CA 1.176 56.463 55.300 -0.021 0.000 1.095 488 M CB -0.573 32.013 32.600 -0.025 0.000 1.365 488 M HN 0.556 nan 8.290 nan 0.000 0.406 489 I N 0.213 120.789 120.570 0.010 0.000 2.202 489 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 489 I C 1.911 178.032 176.117 0.006 0.000 1.091 489 I CA 1.346 62.651 61.300 0.008 0.000 1.368 489 I CB -1.669 36.341 38.000 0.017 0.000 1.058 489 I HN 0.206 nan 8.210 nan 0.000 0.410 490 D N 1.033 121.441 120.400 0.014 0.000 2.116 490 D HA -0.184 4.456 4.640 -0.000 0.000 0.193 490 D C 2.198 178.499 176.300 0.001 0.000 0.998 490 D CA 1.312 55.319 54.000 0.012 0.000 0.836 490 D CB -0.264 40.550 40.800 0.023 0.000 0.951 490 D HN 0.316 nan 8.370 nan 0.000 0.449 491 M N -0.548 119.048 119.600 -0.007 0.000 2.686 491 M HA 0.087 4.567 4.480 -0.000 0.000 0.246 491 M C 1.017 177.300 176.300 -0.029 0.000 1.096 491 M CA 0.696 55.981 55.300 -0.024 0.000 1.076 491 M CB 0.097 32.670 32.600 -0.046 0.000 1.504 491 M HN 0.101 nan 8.290 nan 0.000 0.524 492 G N 2.075 110.864 108.800 -0.019 0.000 2.198 492 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 492 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 492 G C -0.016 174.869 174.900 -0.025 0.000 1.025 492 G CA -0.157 44.932 45.100 -0.018 0.000 0.769 492 G HN 0.550 nan 8.290 nan 0.000 0.507 493 I N 0.812 121.363 120.570 -0.031 0.000 2.460 493 I HA 0.469 4.639 4.170 -0.000 0.000 0.277 493 I C 0.233 176.336 176.117 -0.024 0.000 1.057 493 I CA -0.856 60.422 61.300 -0.037 0.000 1.179 493 I CB 0.446 38.410 38.000 -0.060 0.000 1.329 493 I HN 0.208 nan 8.210 nan 0.000 0.478 494 L N 3.128 124.342 121.223 -0.015 0.000 2.322 494 L HA 0.818 5.158 4.340 -0.000 0.000 0.252 494 L C -1.113 175.756 176.870 -0.003 0.000 1.055 494 L CA -0.689 54.147 54.840 -0.006 0.000 0.849 494 L CB 1.387 43.446 42.059 -0.000 0.000 1.446 494 L HN 0.030 nan 8.230 nan 0.000 0.416 495 D N -0.732 119.670 120.400 0.003 0.000 2.819 495 D HA 0.438 5.078 4.640 -0.000 0.000 0.232 495 D C -2.821 173.486 176.300 0.013 0.000 1.160 495 D CA -1.071 52.932 54.000 0.006 0.000 0.858 495 D CB 2.697 43.501 40.800 0.006 0.000 1.610 495 D HN 0.366 nan 8.370 nan 0.000 0.481 496 P HA 0.077 nan 4.420 nan 0.000 0.267 496 P C 0.886 178.200 177.300 0.022 0.000 1.205 496 P CA 0.084 63.197 63.100 0.023 0.000 0.765 496 P CB 0.651 32.370 31.700 0.032 0.000 0.828 497 T N 2.596 117.162 114.554 0.020 0.000 2.721 497 T HA -0.241 4.108 4.350 -0.000 0.000 0.268 497 T C 1.617 176.330 174.700 0.022 0.000 1.038 497 T CA 1.392 63.503 62.100 0.019 0.000 1.145 497 T CB -0.304 68.574 68.868 0.017 0.000 0.858 497 T HN 0.502 nan 8.240 nan 0.000 0.459 498 K N 0.831 121.248 120.400 0.027 0.000 2.063 498 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 498 K C 2.450 179.075 176.600 0.042 0.000 1.048 498 K CA 1.566 57.874 56.287 0.034 0.000 0.928 498 K CB -0.326 32.201 32.500 0.045 0.000 0.713 498 K HN 0.370 nan 8.250 nan 0.000 0.442 499 V N -0.557 119.380 119.914 0.039 0.000 2.453 499 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 499 V C 1.760 177.877 176.094 0.038 0.000 1.048 499 V CA 2.256 64.580 62.300 0.040 0.000 1.049 499 V CB -0.610 31.226 31.823 0.022 0.000 0.672 499 V HN 0.280 nan 8.190 nan 0.000 0.457 500 T N 0.558 115.129 114.554 0.028 0.000 2.777 500 T HA -0.134 4.215 4.350 -0.000 0.000 0.266 500 T C 1.965 176.679 174.700 0.023 0.000 1.040 500 T CA 2.045 64.159 62.100 0.024 0.000 1.141 500 T CB -0.373 68.505 68.868 0.018 0.000 0.868 500 T HN 0.627 nan 8.240 nan 0.000 0.444 501 R N 0.937 121.447 120.500 0.018 0.000 2.083 501 R HA -0.104 4.235 4.340 -0.000 0.000 0.237 501 R C 2.529 178.827 176.300 -0.003 0.000 1.137 501 R CA 1.863 57.964 56.100 0.003 0.000 0.951 501 R CB -0.392 29.906 30.300 -0.003 0.000 0.851 501 R HN 0.227 nan 8.270 nan 0.000 0.434 502 S N 0.535 116.253 115.700 0.030 0.000 2.356 502 S HA -0.137 4.333 4.470 -0.000 0.000 0.223 502 S C 2.051 176.742 174.600 0.152 0.000 1.032 502 S CA 1.189 59.435 58.200 0.076 0.000 1.005 502 S CB -0.359 62.952 63.200 0.186 0.000 0.867 502 S HN 0.591 nan 8.310 nan 0.000 0.449 503 A N 1.429 124.325 122.820 0.126 0.000 1.917 503 A HA -0.133 4.186 4.320 -0.000 0.000 0.219 503 A C 2.150 179.788 177.584 0.090 0.000 1.182 503 A CA 1.714 53.821 52.037 0.117 0.000 0.633 503 A CB -0.802 18.236 19.000 0.063 0.000 0.819 503 A HN 0.419 nan 8.150 nan 0.000 0.448 504 L N -0.232 121.018 121.223 0.045 0.000 2.005 504 L HA -0.180 4.159 4.340 -0.000 0.000 0.207 504 L C 2.519 179.390 176.870 0.002 0.000 1.072 504 L CA 2.441 57.294 54.840 0.022 0.000 0.744 504 L CB -0.936 41.127 42.059 0.006 0.000 0.895 504 L HN 0.528 nan 8.230 nan 0.000 0.433 505 Q N -1.698 118.072 119.800 -0.051 0.000 2.096 505 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 505 Q C 2.184 178.106 176.000 -0.130 0.000 0.982 505 Q CA 2.125 57.849 55.803 -0.131 0.000 0.850 505 Q CB -0.395 28.197 28.738 -0.244 0.000 0.901 505 Q HN 0.513 nan 8.270 nan 0.000 0.422 506 Y N 0.327 120.629 120.300 0.004 0.000 2.200 506 Y HA -0.179 4.371 4.550 -0.000 0.000 0.290 506 Y C 2.438 178.340 175.900 0.003 0.000 1.137 506 Y CA 0.951 59.053 58.100 0.003 0.000 1.163 506 Y CB -0.742 37.719 38.460 0.001 0.000 0.988 506 Y HN 0.132 nan 8.280 nan 0.000 0.518 507 A N 0.110 123.025 122.820 0.159 0.000 1.865 507 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 507 A C 2.479 180.100 177.584 0.061 0.000 1.191 507 A CA 2.198 54.289 52.037 0.090 0.000 0.623 507 A CB -1.361 17.676 19.000 0.062 0.000 0.826 507 A HN 0.401 nan 8.150 nan 0.000 0.444 508 A N -0.817 122.027 122.820 0.040 0.000 1.978 508 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 508 A C 2.465 180.063 177.584 0.024 0.000 1.170 508 A CA 2.265 54.315 52.037 0.021 0.000 0.636 508 A CB -0.924 18.078 19.000 0.002 0.000 0.810 508 A HN 0.640 nan 8.150 nan 0.000 0.448 509 S N -0.858 114.862 115.700 0.033 0.000 2.348 509 S HA -0.143 4.327 4.470 -0.000 0.000 0.221 509 S C 1.978 176.609 174.600 0.051 0.000 1.033 509 S CA 1.788 60.012 58.200 0.040 0.000 1.010 509 S CB -0.600 62.638 63.200 0.063 0.000 0.891 509 S HN 0.584 nan 8.310 nan 0.000 0.442 510 V N 1.669 121.623 119.914 0.068 0.000 2.515 510 V HA 0.062 4.182 4.120 -0.000 0.000 0.250 510 V C 2.579 178.695 176.094 0.037 0.000 1.058 510 V CA 1.895 64.226 62.300 0.052 0.000 1.064 510 V CB -1.008 30.847 31.823 0.053 0.000 0.675 510 V HN 0.600 nan 8.190 nan 0.000 0.461 511 A N 0.088 122.929 122.820 0.035 0.000 1.898 511 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 511 A C 2.357 179.954 177.584 0.022 0.000 1.181 511 A CA 1.783 53.835 52.037 0.026 0.000 0.620 511 A CB -1.360 17.654 19.000 0.023 0.000 0.819 511 A HN 0.635 nan 8.150 nan 0.000 0.442 512 G N -0.112 108.701 108.800 0.021 0.000 2.418 512 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 512 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 512 G C 1.559 176.470 174.900 0.019 0.000 1.158 512 G CA 1.037 46.148 45.100 0.017 0.000 0.771 512 G HN 0.427 nan 8.290 nan 0.000 0.545 513 L N -0.278 120.959 121.223 0.022 0.000 2.017 513 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 513 L C 3.135 180.017 176.870 0.021 0.000 1.073 513 L CA 1.149 56.002 54.840 0.022 0.000 0.745 513 L CB -0.338 41.736 42.059 0.026 0.000 0.894 513 L HN 0.246 nan 8.230 nan 0.000 0.432 514 M N -0.628 118.985 119.600 0.022 0.000 2.132 514 M HA -0.204 4.276 4.480 -0.000 0.000 0.263 514 M C 2.306 178.616 176.300 0.018 0.000 1.065 514 M CA 1.767 57.080 55.300 0.020 0.000 1.122 514 M CB -0.342 32.271 32.600 0.021 0.000 1.365 514 M HN 0.190 nan 8.290 nan 0.000 0.411 515 I N 0.139 120.719 120.570 0.017 0.000 2.423 515 I HA -0.227 3.943 4.170 -0.000 0.000 0.254 515 I C 1.662 177.788 176.117 0.016 0.000 1.151 515 I CA 1.446 62.755 61.300 0.015 0.000 1.421 515 I CB -0.539 37.469 38.000 0.013 0.000 1.079 515 I HN 0.403 nan 8.210 nan 0.000 0.431 516 T N -3.160 111.404 114.554 0.017 0.000 3.251 516 T HA 0.181 4.531 4.350 -0.000 0.000 0.259 516 T C 0.404 175.117 174.700 0.021 0.000 0.998 516 T CA -0.349 61.762 62.100 0.018 0.000 0.905 516 T CB -0.340 68.539 68.868 0.017 0.000 1.067 516 T HN -0.078 nan 8.240 nan 0.000 0.569 517 T N 1.990 116.556 114.554 0.020 0.000 2.795 517 T HA 0.368 4.718 4.350 -0.000 0.000 0.282 517 T C 0.516 175.230 174.700 0.024 0.000 0.980 517 T CA -0.569 61.543 62.100 0.020 0.000 1.012 517 T CB 1.726 70.604 68.868 0.017 0.000 0.936 517 T HN 0.093 nan 8.240 nan 0.000 0.457 518 E N 0.478 120.697 120.200 0.032 0.000 2.485 518 E HA 0.182 4.532 4.350 -0.000 0.000 0.213 518 E C 0.077 176.706 176.600 0.047 0.000 0.923 518 E CA 0.116 56.550 56.400 0.058 0.000 1.054 518 E CB 0.772 30.524 29.700 0.087 0.000 1.077 518 E HN 0.575 nan 8.360 nan 0.000 0.509 519 C N 0.495 119.782 119.300 -0.021 0.000 2.888 519 C HA 0.712 5.171 4.460 -0.000 0.000 0.308 519 C C -1.399 173.516 174.990 -0.125 0.000 1.213 519 C CA -0.592 58.323 59.018 -0.172 0.000 1.461 519 C CB 0.609 28.238 27.740 -0.186 0.000 1.934 519 C HN 0.127 nan 8.230 nan 0.000 0.474 520 M N 4.849 124.357 119.600 -0.153 0.000 2.326 520 M HA 0.562 5.042 4.480 -0.000 0.000 0.292 520 M C -1.211 175.135 176.300 0.077 0.000 1.081 520 M CA -0.537 54.784 55.300 0.034 0.000 0.919 520 M CB 2.114 34.846 32.600 0.220 0.000 1.634 520 M HN 0.385 nan 8.290 nan 0.000 0.451 521 V N 1.317 121.247 119.914 0.027 0.000 2.540 521 V HA 0.810 4.929 4.120 -0.000 0.000 0.302 521 V C -0.269 175.776 176.094 -0.081 0.000 1.035 521 V CA -0.392 61.904 62.300 -0.006 0.000 0.873 521 V CB 1.944 33.748 31.823 -0.030 0.000 0.992 521 V HN 0.962 nan 8.190 nan 0.000 0.428 522 T N 1.785 116.249 114.554 -0.151 0.000 2.762 522 T HA 0.345 4.695 4.350 -0.000 0.000 0.301 522 T C -1.433 173.159 174.700 -0.181 0.000 1.299 522 T CA -0.596 61.355 62.100 -0.248 0.000 1.005 522 T CB 1.989 70.540 68.868 -0.528 0.000 1.377 522 T HN 0.645 nan 8.240 nan 0.000 0.504 523 D N 1.490 121.793 120.400 -0.161 0.000 2.357 523 D HA 0.260 4.899 4.640 -0.000 0.000 0.242 523 D C -0.073 176.168 176.300 -0.099 0.000 1.153 523 D CA -0.199 53.739 54.000 -0.102 0.000 0.918 523 D CB 0.721 41.472 40.800 -0.081 0.000 1.181 523 D HN 0.234 nan 8.370 nan 0.000 0.435 524 L N 3.402 124.595 121.223 -0.049 0.000 2.410 524 L HA 0.186 4.526 4.340 -0.000 0.000 0.273 524 L C -1.299 175.553 176.870 -0.030 0.000 1.152 524 L CA -1.056 53.770 54.840 -0.024 0.000 0.855 524 L CB -0.276 41.781 42.059 -0.003 0.000 1.129 524 L HN 0.284 nan 8.230 nan 0.000 0.463 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.088 63.100 -0.020 0.000 0.800 525 P CB 0.000 31.698 31.700 -0.004 0.000 0.726