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 1j4z_1_J 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 KKARVEAALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 -0.000 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 A N 1.292 124.110 122.820 -0.003 0.000 2.540 3 A HA 0.395 4.715 4.320 -0.000 0.000 0.268 3 A C 0.428 178.008 177.584 -0.006 0.000 1.061 3 A CA 0.662 52.697 52.037 -0.003 0.000 0.821 3 A CB -0.713 18.282 19.000 -0.008 0.000 0.970 3 A HN 0.546 nan 8.150 nan 0.000 0.524 4 K N 1.860 122.262 120.400 0.002 0.000 2.098 4 K HA 0.389 4.709 4.320 -0.000 0.000 0.244 4 K C -0.517 176.084 176.600 0.003 0.000 1.014 4 K CA -0.612 55.678 56.287 0.006 0.000 0.917 4 K CB 0.869 33.384 32.500 0.024 0.000 1.072 4 K HN 0.734 nan 8.250 nan 0.000 0.477 5 D N 0.278 120.685 120.400 0.012 0.000 2.362 5 D HA 0.415 5.055 4.640 -0.000 0.000 0.247 5 D C -1.456 174.901 176.300 0.095 0.000 1.050 5 D CA -0.696 53.316 54.000 0.020 0.000 0.839 5 D CB 1.450 42.224 40.800 -0.044 0.000 1.283 5 D HN 0.045 nan 8.370 nan 0.000 0.477 6 V N 3.793 123.716 119.914 0.015 0.000 2.686 6 V HA 0.448 4.568 4.120 -0.000 0.000 0.306 6 V C -0.254 175.611 176.094 -0.382 0.000 1.065 6 V CA -0.758 61.463 62.300 -0.132 0.000 0.894 6 V CB 2.054 33.754 31.823 -0.204 0.000 1.004 6 V HN 0.461 nan 8.190 nan 0.000 0.424 7 K N 3.415 123.522 120.400 -0.488 0.000 2.375 7 K HA 0.815 5.135 4.320 -0.000 0.000 0.249 7 K C -1.727 174.523 176.600 -0.584 0.000 0.942 7 K CA -0.501 55.451 56.287 -0.559 0.000 0.806 7 K CB 2.345 34.636 32.500 -0.348 0.000 1.227 7 K HN 0.443 nan 8.250 nan 0.000 0.430 8 F N -0.201 119.702 119.950 -0.079 0.000 2.620 8 F HA 0.585 5.112 4.527 -0.000 0.000 0.320 8 F C 0.897 176.661 175.800 -0.060 0.000 1.069 8 F CA -0.459 57.498 58.000 -0.071 0.000 0.953 8 F CB 1.263 40.239 39.000 -0.040 0.000 1.322 8 F HN 0.771 nan 8.300 nan 0.000 0.479 9 G N 1.374 110.271 108.800 0.163 0.000 2.601 9 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.261 9 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.261 9 G C 0.827 175.744 174.900 0.029 0.000 1.289 9 G CA 0.409 45.552 45.100 0.071 0.000 0.920 9 G HN 0.826 nan 8.290 nan 0.000 0.571 10 N N 0.289 119.001 118.700 0.020 0.000 2.100 10 N HA -0.279 4.461 4.740 -0.000 0.000 0.199 10 N C 1.730 177.237 175.510 -0.006 0.000 1.017 10 N CA 2.300 55.355 53.050 0.007 0.000 0.890 10 N CB -0.395 38.099 38.487 0.011 0.000 1.080 10 N HN 0.697 nan 8.380 nan 0.000 0.525 11 D N 0.750 121.148 120.400 -0.003 0.000 2.355 11 D HA -0.264 4.376 4.640 -0.000 0.000 0.192 11 D C 1.845 178.100 176.300 -0.074 0.000 1.014 11 D CA 1.886 55.876 54.000 -0.018 0.000 0.862 11 D CB -0.802 39.990 40.800 -0.013 0.000 0.986 11 D HN 0.433 nan 8.370 nan 0.000 0.456 12 A N 0.038 122.784 122.820 -0.124 0.000 2.042 12 A HA -0.275 4.045 4.320 -0.000 0.000 0.222 12 A C 2.130 179.619 177.584 -0.159 0.000 1.167 12 A CA 2.018 53.915 52.037 -0.233 0.000 0.649 12 A CB -0.410 18.492 19.000 -0.163 0.000 0.809 12 A HN 0.189 nan 8.150 nan 0.000 0.457 13 R N -1.061 119.394 120.500 -0.075 0.000 2.062 13 R HA 0.008 4.348 4.340 -0.000 0.000 0.218 13 R C 2.241 178.525 176.300 -0.026 0.000 1.161 13 R CA 1.142 57.216 56.100 -0.044 0.000 0.994 13 R CB -0.774 29.512 30.300 -0.023 0.000 0.888 13 R HN 0.516 nan 8.270 nan 0.000 0.442 14 V N 0.858 120.764 119.914 -0.013 0.000 2.439 14 V HA -0.294 3.826 4.120 -0.000 0.000 0.253 14 V C 1.890 177.991 176.094 0.011 0.000 1.074 14 V CA 1.694 63.995 62.300 0.002 0.000 1.076 14 V CB -0.530 31.298 31.823 0.009 0.000 0.664 14 V HN 0.147 nan 8.190 nan 0.000 0.461 15 K N -0.078 120.329 120.400 0.011 0.000 2.002 15 K HA -0.022 4.298 4.320 -0.000 0.000 0.209 15 K C 2.276 178.899 176.600 0.037 0.000 1.048 15 K CA 2.147 58.465 56.287 0.051 0.000 0.930 15 K CB -0.582 31.976 32.500 0.096 0.000 0.714 15 K HN 0.544 nan 8.250 nan 0.000 0.438 16 M N 0.506 120.107 119.600 0.002 0.000 2.080 16 M HA -0.220 4.260 4.480 -0.000 0.000 0.260 16 M C 2.225 178.531 176.300 0.010 0.000 1.068 16 M CA 1.278 56.580 55.300 0.004 0.000 1.109 16 M CB -0.437 32.151 32.600 -0.018 0.000 1.342 16 M HN 0.074 nan 8.290 nan 0.000 0.405 17 L N 0.741 121.967 121.223 0.005 0.000 1.943 17 L HA -0.223 4.117 4.340 -0.000 0.000 0.215 17 L C 2.432 179.308 176.870 0.011 0.000 1.074 17 L CA 2.106 56.950 54.840 0.007 0.000 0.759 17 L CB -1.022 41.039 42.059 0.004 0.000 0.888 17 L HN 0.158 nan 8.230 nan 0.000 0.433 18 R N 0.321 120.830 120.500 0.014 0.000 2.154 18 R HA -0.136 4.204 4.340 -0.000 0.000 0.248 18 R C 2.113 178.425 176.300 0.019 0.000 1.155 18 R CA 1.833 57.943 56.100 0.016 0.000 0.979 18 R CB -1.547 28.766 30.300 0.021 0.000 0.869 18 R HN 0.622 nan 8.270 nan 0.000 0.452 19 G N -0.551 108.264 108.800 0.025 0.000 2.408 19 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 19 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 19 G C 1.427 176.337 174.900 0.017 0.000 1.150 19 G CA 1.054 46.170 45.100 0.027 0.000 0.776 19 G HN 0.373 nan 8.290 nan 0.000 0.542 20 V N -1.029 118.893 119.914 0.013 0.000 2.591 20 V HA -0.012 4.108 4.120 -0.000 0.000 0.249 20 V C 2.197 178.295 176.094 0.006 0.000 1.053 20 V CA 1.684 63.989 62.300 0.008 0.000 1.068 20 V CB -0.651 31.176 31.823 0.007 0.000 0.689 20 V HN 0.139 nan 8.190 nan 0.000 0.462 21 N N 1.031 119.735 118.700 0.007 0.000 2.247 21 N HA -0.139 4.601 4.740 -0.000 0.000 0.189 21 N C 1.635 177.147 175.510 0.003 0.000 1.009 21 N CA 1.718 54.770 53.050 0.004 0.000 0.872 21 N CB -0.445 38.045 38.487 0.005 0.000 0.980 21 N HN 0.535 nan 8.380 nan 0.000 0.436 22 V N 0.691 120.607 119.914 0.004 0.000 2.256 22 V HA -0.131 3.989 4.120 -0.000 0.000 0.240 22 V C 2.326 178.420 176.094 0.000 0.000 1.036 22 V CA 0.825 63.126 62.300 0.002 0.000 1.008 22 V CB -0.649 31.176 31.823 0.002 0.000 0.648 22 V HN 0.173 nan 8.190 nan 0.000 0.453 23 L N 0.807 122.031 121.223 0.001 0.000 2.064 23 L HA -0.226 4.114 4.340 -0.000 0.000 0.216 23 L C 2.242 179.111 176.870 -0.002 0.000 1.077 23 L CA 2.569 57.408 54.840 -0.001 0.000 0.766 23 L CB -1.019 41.040 42.059 -0.001 0.000 0.890 23 L HN 0.287 nan 8.230 nan 0.000 0.435 24 A N -0.799 122.021 122.820 -0.000 0.000 1.819 24 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 24 A C 1.945 179.528 177.584 -0.002 0.000 1.226 24 A CA 1.446 53.483 52.037 -0.001 0.000 0.608 24 A CB -1.201 17.799 19.000 0.001 0.000 0.877 24 A HN 0.495 nan 8.150 nan 0.000 0.452 25 D N 0.183 120.582 120.400 -0.002 0.000 2.311 25 D HA -0.172 4.468 4.640 -0.000 0.000 0.204 25 D C 1.562 177.859 176.300 -0.004 0.000 1.000 25 D CA 1.619 55.618 54.000 -0.003 0.000 0.910 25 D CB -0.279 40.519 40.800 -0.002 0.000 0.900 25 D HN 0.447 nan 8.370 nan 0.000 0.463 26 A N -0.503 122.314 122.820 -0.004 0.000 2.379 26 A HA 0.283 4.603 4.320 -0.000 0.000 0.236 26 A C 1.702 179.283 177.584 -0.005 0.000 1.272 26 A CA -0.045 51.989 52.037 -0.005 0.000 0.886 26 A CB 0.616 19.613 19.000 -0.005 0.000 0.962 26 A HN 0.134 nan 8.150 nan 0.000 0.504 27 V N -0.747 119.164 119.914 -0.005 0.000 3.245 27 V HA -0.025 4.095 4.120 -0.000 0.000 0.246 27 V C 1.627 177.718 176.094 -0.005 0.000 1.487 27 V CA 0.881 63.178 62.300 -0.005 0.000 1.154 27 V CB 0.041 31.861 31.823 -0.005 0.000 0.971 27 V HN 0.665 nan 8.190 nan 0.000 0.443 28 K N 2.271 122.668 120.400 -0.005 0.000 2.665 28 K HA 0.007 4.327 4.320 -0.000 0.000 0.196 28 K C 1.175 177.770 176.600 -0.007 0.000 1.021 28 K CA 1.401 57.684 56.287 -0.006 0.000 1.066 28 K CB -0.155 32.341 32.500 -0.006 0.000 0.849 28 K HN 0.519 nan 8.250 nan 0.000 0.500 29 V N -2.888 117.023 119.914 -0.006 0.000 2.908 29 V HA -0.031 4.089 4.120 -0.000 0.000 0.240 29 V C 2.077 178.168 176.094 -0.006 0.000 1.117 29 V CA 0.737 63.033 62.300 -0.007 0.000 1.133 29 V CB -0.235 31.584 31.823 -0.006 0.000 0.857 29 V HN 0.434 nan 8.190 nan 0.000 0.478 30 T N -0.499 114.052 114.554 -0.005 0.000 3.400 30 T HA 0.136 4.486 4.350 -0.000 0.000 0.254 30 T C 0.415 175.112 174.700 -0.004 0.000 1.153 30 T CA 0.107 62.205 62.100 -0.004 0.000 1.012 30 T CB -0.948 67.917 68.868 -0.005 0.000 0.994 30 T HN 0.272 nan 8.240 nan 0.000 0.555 31 L N 2.232 123.452 121.223 -0.005 0.000 2.313 31 L HA 0.591 4.931 4.340 -0.000 0.000 0.282 31 L C 0.972 177.840 176.870 -0.003 0.000 1.092 31 L CA 1.454 56.291 54.840 -0.005 0.000 0.831 31 L CB -0.312 41.743 42.059 -0.007 0.000 1.159 31 L HN 0.646 nan 8.230 nan 0.000 0.442 32 G N 5.093 113.892 108.800 -0.001 0.000 2.527 32 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.227 32 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.227 32 G C -1.995 172.907 174.900 0.003 0.000 1.291 32 G CA -0.068 45.034 45.100 0.003 0.000 0.904 32 G HN 0.591 nan 8.290 nan 0.000 0.577 33 P HA 0.217 nan 4.420 nan 0.000 0.221 33 P C 0.911 178.213 177.300 0.004 0.000 1.152 33 P CA 0.825 63.928 63.100 0.004 0.000 0.851 33 P CB 0.221 31.925 31.700 0.006 0.000 0.833 34 K N 1.109 121.513 120.400 0.007 0.000 2.596 34 K HA 0.273 4.593 4.320 -0.000 0.000 0.211 34 K C 0.999 177.599 176.600 0.001 0.000 1.046 34 K CA -0.136 56.154 56.287 0.006 0.000 1.202 34 K CB -0.418 32.088 32.500 0.011 0.000 0.925 34 K HN 0.113 nan 8.250 nan 0.000 0.486 35 G N 1.363 110.163 108.800 0.000 0.000 2.483 35 G HA2 0.153 4.113 3.960 -0.000 0.000 0.248 35 G HA3 0.153 4.113 3.960 -0.000 0.000 0.248 35 G C 0.199 175.098 174.900 -0.002 0.000 1.248 35 G CA -0.459 44.640 45.100 -0.002 0.000 0.838 35 G HN 0.075 nan 8.290 nan 0.000 0.566 36 R N 0.791 121.289 120.500 -0.003 0.000 2.541 36 R HA 0.293 4.633 4.340 -0.000 0.000 0.254 36 R C -0.296 176.002 176.300 -0.003 0.000 1.130 36 R CA -0.935 55.163 56.100 -0.003 0.000 1.152 36 R CB 0.080 30.378 30.300 -0.003 0.000 1.222 36 R HN 0.572 nan 8.270 nan 0.000 0.579 37 N N -1.034 117.664 118.700 -0.003 0.000 2.443 37 N HA 0.382 5.122 4.740 -0.000 0.000 0.295 37 N C -1.106 174.402 175.510 -0.003 0.000 1.076 37 N CA -0.514 52.535 53.050 -0.003 0.000 0.919 37 N CB 1.714 40.200 38.487 -0.002 0.000 1.176 37 N HN 0.095 nan 8.380 nan 0.000 0.487 38 V N 1.896 121.808 119.914 -0.004 0.000 2.448 38 V HA 0.379 4.499 4.120 -0.000 0.000 0.295 38 V C -0.506 175.585 176.094 -0.004 0.000 1.025 38 V CA -0.829 61.469 62.300 -0.004 0.000 0.859 38 V CB 1.746 33.566 31.823 -0.005 0.000 0.988 38 V HN 0.374 nan 8.190 nan 0.000 0.431 39 V N 6.291 126.202 119.914 -0.005 0.000 2.383 39 V HA 0.433 4.553 4.120 -0.000 0.000 0.275 39 V C -0.070 176.020 176.094 -0.007 0.000 1.036 39 V CA -0.466 61.831 62.300 -0.005 0.000 0.889 39 V CB 1.244 33.065 31.823 -0.004 0.000 0.985 39 V HN 0.632 nan 8.190 nan 0.000 0.459 40 L N 3.570 124.789 121.223 -0.007 0.000 2.321 40 L HA 0.399 4.739 4.340 -0.000 0.000 0.272 40 L C 0.174 177.037 176.870 -0.013 0.000 1.050 40 L CA -0.499 54.335 54.840 -0.011 0.000 0.893 40 L CB 0.766 42.819 42.059 -0.010 0.000 1.272 40 L HN 0.626 nan 8.230 nan 0.000 0.435 41 D N 3.066 123.457 120.400 -0.015 0.000 2.629 41 D HA -0.052 4.588 4.640 -0.000 0.000 0.228 41 D C -0.021 176.262 176.300 -0.028 0.000 1.127 41 D CA 1.182 55.170 54.000 -0.019 0.000 0.855 41 D CB 0.880 41.666 40.800 -0.023 0.000 1.180 41 D HN 0.338 nan 8.370 nan 0.000 0.484 42 K N 0.919 121.303 120.400 -0.027 0.000 2.295 42 K HA 0.362 4.682 4.320 -0.000 0.000 0.239 42 K C 1.006 177.565 176.600 -0.069 0.000 0.991 42 K CA -0.596 55.668 56.287 -0.038 0.000 0.845 42 K CB 1.273 33.767 32.500 -0.011 0.000 1.197 42 K HN 0.546 nan 8.250 nan 0.000 0.441 43 S N 0.910 116.528 115.700 -0.137 0.000 2.309 43 S HA 0.044 4.514 4.470 -0.000 0.000 0.206 43 S C 0.484 174.969 174.600 -0.191 0.000 1.028 43 S CA 0.496 58.527 58.200 -0.282 0.000 0.972 43 S CB -0.355 62.509 63.200 -0.559 0.000 0.961 43 S HN 0.367 nan 8.310 nan 0.000 0.449 44 F N 3.155 123.103 119.950 -0.002 0.000 2.404 44 F HA 0.701 5.228 4.527 -0.000 0.000 0.358 44 F C 1.251 177.050 175.800 -0.001 0.000 1.120 44 F CA 0.052 58.050 58.000 -0.002 0.000 1.144 44 F CB 0.553 39.551 39.000 -0.002 0.000 1.133 44 F HN 0.823 nan 8.300 nan 0.000 0.495 45 G N 1.345 110.257 108.800 0.187 0.000 2.352 45 G HA2 0.378 4.338 3.960 -0.000 0.000 0.324 45 G HA3 0.378 4.338 3.960 -0.000 0.000 0.324 45 G C -1.473 173.464 174.900 0.063 0.000 1.249 45 G CA -0.580 44.581 45.100 0.102 0.000 1.053 45 G HN 0.909 nan 8.290 nan 0.000 0.492 46 A N 0.478 123.324 122.820 0.043 0.000 2.303 46 A HA 0.877 5.197 4.320 -0.000 0.000 0.317 46 A C -1.663 175.933 177.584 0.019 0.000 1.149 46 A CA -0.780 51.274 52.037 0.027 0.000 0.822 46 A CB 0.207 19.220 19.000 0.022 0.000 1.131 46 A HN 0.676 nan 8.150 nan 0.000 0.493 47 P HA 0.146 nan 4.420 nan 0.000 0.270 47 P C -0.285 177.018 177.300 0.005 0.000 1.221 47 P CA 0.385 63.488 63.100 0.005 0.000 0.788 47 P CB 0.332 32.034 31.700 0.002 0.000 0.904 48 T N 1.886 116.441 114.554 0.002 0.000 2.779 48 T HA 0.545 4.895 4.350 -0.000 0.000 0.280 48 T C 0.082 174.782 174.700 0.000 0.000 0.987 48 T CA -0.333 61.769 62.100 0.002 0.000 0.966 48 T CB 0.197 69.066 68.868 0.001 0.000 0.933 48 T HN 0.155 nan 8.240 nan 0.000 0.442 49 I N 2.706 123.277 120.570 0.001 0.000 2.362 49 I HA 0.589 4.759 4.170 -0.000 0.000 0.289 49 I C 0.415 176.532 176.117 -0.000 0.000 0.994 49 I CA -0.492 60.808 61.300 0.000 0.000 1.158 49 I CB 1.751 39.752 38.000 0.001 0.000 1.315 49 I HN 0.516 nan 8.210 nan 0.000 0.451 50 T N 4.139 118.692 114.554 -0.002 0.000 2.762 50 T HA 0.417 4.767 4.350 -0.000 0.000 0.301 50 T C -0.312 174.386 174.700 -0.003 0.000 1.299 50 T CA -0.559 61.539 62.100 -0.002 0.000 1.005 50 T CB 1.815 70.682 68.868 -0.003 0.000 1.377 50 T HN 0.683 nan 8.240 nan 0.000 0.504 51 K N 0.715 121.113 120.400 -0.003 0.000 2.533 51 K HA 0.207 4.527 4.320 -0.000 0.000 0.202 51 K C -0.864 175.733 176.600 -0.005 0.000 1.096 51 K CA -0.254 56.030 56.287 -0.004 0.000 1.056 51 K CB 0.630 33.128 32.500 -0.003 0.000 0.890 51 K HN 0.371 nan 8.250 nan 0.000 0.552 52 D N 0.941 121.338 120.400 -0.006 0.000 2.483 52 D HA 0.082 4.722 4.640 -0.000 0.000 0.220 52 D C 1.329 177.624 176.300 -0.008 0.000 1.173 52 D CA -0.053 53.943 54.000 -0.007 0.000 0.964 52 D CB 0.657 41.452 40.800 -0.008 0.000 1.046 52 D HN 0.279 nan 8.370 nan 0.000 0.517 53 G N 2.107 110.902 108.800 -0.008 0.000 2.581 53 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.223 53 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.223 53 G C 1.455 176.350 174.900 -0.010 0.000 1.094 53 G CA 0.957 46.052 45.100 -0.008 0.000 0.736 53 G HN 0.473 nan 8.290 nan 0.000 0.588 54 V N 0.515 120.422 119.914 -0.012 0.000 2.283 54 V HA -0.132 3.988 4.120 -0.000 0.000 0.243 54 V C 2.993 179.080 176.094 -0.013 0.000 1.039 54 V CA 2.151 64.443 62.300 -0.014 0.000 1.016 54 V CB -0.618 31.195 31.823 -0.017 0.000 0.650 54 V HN 0.369 nan 8.190 nan 0.000 0.449 55 S N -0.126 115.568 115.700 -0.011 0.000 2.399 55 S HA -0.146 4.324 4.470 -0.000 0.000 0.231 55 S C 1.970 176.564 174.600 -0.010 0.000 1.022 55 S CA 1.289 59.483 58.200 -0.010 0.000 0.983 55 S CB -0.148 63.047 63.200 -0.008 0.000 0.803 55 S HN 0.354 nan 8.310 nan 0.000 0.480 56 V N 1.604 121.512 119.914 -0.009 0.000 2.515 56 V HA -0.151 3.969 4.120 -0.000 0.000 0.250 56 V C 2.455 178.543 176.094 -0.010 0.000 1.058 56 V CA 1.493 63.788 62.300 -0.009 0.000 1.064 56 V CB -1.041 30.777 31.823 -0.008 0.000 0.675 56 V HN 0.523 nan 8.190 nan 0.000 0.461 57 A N -0.205 122.609 122.820 -0.011 0.000 1.825 57 A HA -0.199 4.121 4.320 -0.000 0.000 0.214 57 A C 2.330 179.906 177.584 -0.013 0.000 1.206 57 A CA 1.642 53.672 52.037 -0.012 0.000 0.609 57 A CB -0.667 18.325 19.000 -0.013 0.000 0.851 57 A HN 0.381 nan 8.150 nan 0.000 0.445 58 R N -0.285 120.207 120.500 -0.014 0.000 2.208 58 R HA -0.192 4.148 4.340 -0.000 0.000 0.262 58 R C 1.009 177.300 176.300 -0.015 0.000 1.166 58 R CA 1.734 57.825 56.100 -0.015 0.000 0.987 58 R CB -0.333 29.958 30.300 -0.015 0.000 0.887 58 R HN 0.517 nan 8.270 nan 0.000 0.459 59 E N 0.053 120.244 120.200 -0.014 0.000 2.416 59 E HA 0.061 4.411 4.350 -0.000 0.000 0.189 59 E C 0.163 176.754 176.600 -0.015 0.000 1.091 59 E CA 0.178 56.569 56.400 -0.016 0.000 0.889 59 E CB 0.165 29.856 29.700 -0.016 0.000 1.015 59 E HN 0.223 nan 8.360 nan 0.000 0.479 60 I N 1.038 121.600 120.570 -0.013 0.000 2.437 60 I HA 0.304 4.474 4.170 -0.000 0.000 0.298 60 I C 0.167 176.278 176.117 -0.010 0.000 0.984 60 I CA -0.329 60.964 61.300 -0.011 0.000 1.214 60 I CB 1.443 39.438 38.000 -0.008 0.000 1.365 60 I HN -0.021 nan 8.210 nan 0.000 0.469 61 E N 6.401 126.595 120.200 -0.010 0.000 3.397 61 E HA 0.247 4.597 4.350 -0.000 0.000 0.380 61 E C -1.871 174.724 176.600 -0.009 0.000 0.989 61 E CA -0.402 55.993 56.400 -0.009 0.000 0.783 61 E CB 1.017 30.710 29.700 -0.012 0.000 1.334 61 E HN 0.439 nan 8.360 nan 0.000 0.457 62 L N 2.664 123.884 121.223 -0.005 0.000 2.488 62 L HA 0.397 4.737 4.340 -0.000 0.000 0.249 62 L C 1.675 178.536 176.870 -0.015 0.000 1.151 62 L CA -0.408 54.428 54.840 -0.007 0.000 0.806 62 L CB 0.549 42.608 42.059 0.000 0.000 1.261 62 L HN 0.729 nan 8.230 nan 0.000 0.484 63 E N 0.265 120.453 120.200 -0.019 0.000 2.022 63 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 63 E C 0.440 177.014 176.600 -0.045 0.000 0.973 63 E CA 0.098 56.480 56.400 -0.031 0.000 0.816 63 E CB 0.136 29.818 29.700 -0.030 0.000 0.781 63 E HN 0.689 nan 8.360 nan 0.000 0.456 64 D N 1.347 121.722 120.400 -0.041 0.000 2.433 64 D HA -0.110 4.530 4.640 -0.000 0.000 0.274 64 D C 0.660 176.916 176.300 -0.073 0.000 1.344 64 D CA 0.172 54.132 54.000 -0.066 0.000 0.989 64 D CB 0.571 41.355 40.800 -0.027 0.000 1.116 64 D HN 0.114 nan 8.370 nan 0.000 0.533 65 K N 3.421 123.728 120.400 -0.154 0.000 2.184 65 K HA -0.228 4.092 4.320 -0.000 0.000 0.210 65 K C 1.690 178.289 176.600 -0.001 0.000 1.048 65 K CA 1.345 57.545 56.287 -0.144 0.000 0.931 65 K CB -0.346 31.986 32.500 -0.280 0.000 0.718 65 K HN 0.468 nan 8.250 nan 0.000 0.465 66 F N 1.353 121.291 119.950 -0.021 0.000 2.123 66 F HA -0.010 4.517 4.527 -0.000 0.000 0.289 66 F C 2.460 178.252 175.800 -0.014 0.000 1.099 66 F CA 0.548 58.536 58.000 -0.019 0.000 1.234 66 F CB -1.109 37.876 39.000 -0.024 0.000 1.034 66 F HN 0.082 nan 8.300 nan 0.000 0.479 67 E N 0.312 120.629 120.200 0.194 0.000 2.086 67 E HA -0.353 3.997 4.350 -0.000 0.000 0.205 67 E C 1.897 178.540 176.600 0.071 0.000 1.027 67 E CA 1.880 58.339 56.400 0.098 0.000 0.830 67 E CB -0.681 29.055 29.700 0.060 0.000 0.751 67 E HN 0.397 nan 8.360 nan 0.000 0.456 68 N N 0.551 119.286 118.700 0.060 0.000 2.061 68 N HA -0.199 4.541 4.740 -0.000 0.000 0.193 68 N C 1.909 177.448 175.510 0.048 0.000 1.030 68 N CA 1.631 54.704 53.050 0.038 0.000 0.856 68 N CB -0.070 38.430 38.487 0.022 0.000 1.023 68 N HN 0.090 nan 8.380 nan 0.000 0.424 69 M N -0.412 119.237 119.600 0.082 0.000 2.082 69 M HA -0.145 4.335 4.480 -0.000 0.000 0.258 69 M C 2.198 178.525 176.300 0.045 0.000 1.069 69 M CA 1.926 57.272 55.300 0.076 0.000 1.102 69 M CB -0.873 31.804 32.600 0.128 0.000 1.336 69 M HN 0.424 nan 8.290 nan 0.000 0.404 70 G N -0.193 108.633 108.800 0.044 0.000 2.552 70 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 70 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 70 G C 1.522 176.432 174.900 0.017 0.000 1.240 70 G CA 1.083 46.196 45.100 0.022 0.000 0.796 70 G HN 0.569 nan 8.290 nan 0.000 0.568 71 A N -0.660 122.171 122.820 0.018 0.000 2.148 71 A HA -0.127 4.193 4.320 -0.000 0.000 0.222 71 A C 2.271 179.858 177.584 0.006 0.000 1.161 71 A CA 2.038 54.081 52.037 0.011 0.000 0.662 71 A CB -0.264 18.743 19.000 0.011 0.000 0.799 71 A HN 0.394 nan 8.150 nan 0.000 0.466 72 Q N -1.446 118.360 119.800 0.010 0.000 2.424 72 Q HA 0.141 4.481 4.340 -0.000 0.000 0.204 72 Q C 1.895 177.893 176.000 -0.002 0.000 0.933 72 Q CA 0.619 56.425 55.803 0.004 0.000 0.929 72 Q CB 0.010 28.753 28.738 0.009 0.000 1.037 72 Q HN 0.833 nan 8.270 nan 0.000 0.511 73 M N -0.762 118.838 119.600 0.000 0.000 2.142 73 M HA -0.085 4.395 4.480 -0.000 0.000 0.256 73 M C 2.223 178.515 176.300 -0.013 0.000 1.098 73 M CA 0.964 56.260 55.300 -0.005 0.000 1.151 73 M CB -0.759 31.840 32.600 -0.000 0.000 1.299 73 M HN 0.038 nan 8.290 nan 0.000 0.431 74 V N 1.071 120.981 119.914 -0.007 0.000 2.370 74 V HA -0.331 3.789 4.120 -0.000 0.000 0.252 74 V C 2.194 178.277 176.094 -0.017 0.000 1.068 74 V CA 2.495 64.791 62.300 -0.007 0.000 1.061 74 V CB -0.698 31.125 31.823 0.001 0.000 0.656 74 V HN 0.550 nan 8.190 nan 0.000 0.455 75 K N -0.667 119.723 120.400 -0.016 0.000 2.057 75 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 75 K C 2.329 178.907 176.600 -0.037 0.000 1.049 75 K CA 1.795 58.069 56.287 -0.022 0.000 0.931 75 K CB -0.296 32.195 32.500 -0.015 0.000 0.714 75 K HN 0.566 nan 8.250 nan 0.000 0.440 76 E N 0.443 120.619 120.200 -0.040 0.000 2.208 76 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 76 E C 1.858 178.400 176.600 -0.098 0.000 0.988 76 E CA 0.601 56.967 56.400 -0.056 0.000 0.828 76 E CB 0.150 29.825 29.700 -0.043 0.000 0.763 76 E HN 0.186 nan 8.360 nan 0.000 0.478 77 V N 0.443 120.296 119.914 -0.103 0.000 2.379 77 V HA -0.085 4.035 4.120 -0.000 0.000 0.243 77 V C 2.277 178.229 176.094 -0.237 0.000 1.035 77 V CA 1.575 63.763 62.300 -0.186 0.000 1.035 77 V CB -0.253 31.504 31.823 -0.111 0.000 0.673 77 V HN 0.283 nan 8.190 nan 0.000 0.457 78 A N 0.540 123.293 122.820 -0.110 0.000 1.917 78 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 78 A C 2.517 180.045 177.584 -0.093 0.000 1.182 78 A CA 2.656 54.654 52.037 -0.065 0.000 0.633 78 A CB -1.135 17.852 19.000 -0.022 0.000 0.819 78 A HN 0.895 nan 8.150 nan 0.000 0.448 79 S N -0.226 115.414 115.700 -0.101 0.000 2.462 79 S HA -0.222 4.248 4.470 -0.000 0.000 0.243 79 S C 1.691 176.219 174.600 -0.120 0.000 1.003 79 S CA 1.703 59.851 58.200 -0.087 0.000 0.970 79 S CB -0.405 62.751 63.200 -0.074 0.000 0.762 79 S HN 0.659 nan 8.310 nan 0.000 0.510 80 K N 1.105 121.359 120.400 -0.243 0.000 2.116 80 K HA 0.217 4.537 4.320 -0.000 0.000 0.203 80 K C 2.605 179.142 176.600 -0.105 0.000 1.052 80 K CA 0.859 56.952 56.287 -0.324 0.000 0.952 80 K CB -0.475 31.519 32.500 -0.844 0.000 0.729 80 K HN 0.471 nan 8.250 nan 0.000 0.446 81 A N 1.953 124.769 122.820 -0.006 0.000 1.865 81 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 81 A C 1.929 179.574 177.584 0.101 0.000 1.191 81 A CA 2.129 54.297 52.037 0.219 0.000 0.623 81 A CB -0.849 18.271 19.000 0.199 0.000 0.826 81 A HN 0.306 nan 8.150 nan 0.000 0.444 82 N N 0.014 118.733 118.700 0.032 0.000 2.094 82 N HA -0.166 4.574 4.740 -0.000 0.000 0.191 82 N C 1.237 176.748 175.510 0.002 0.000 1.023 82 N CA 1.739 54.789 53.050 0.000 0.000 0.857 82 N CB -0.219 38.253 38.487 -0.024 0.000 1.013 82 N HN 0.441 nan 8.380 nan 0.000 0.426 83 D N -0.565 119.839 120.400 0.007 0.000 2.178 83 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 83 D C 1.569 177.899 176.300 0.051 0.000 0.980 83 D CA 1.181 55.189 54.000 0.014 0.000 0.842 83 D CB -0.166 40.630 40.800 -0.006 0.000 0.948 83 D HN 0.434 nan 8.370 nan 0.000 0.472 84 A N 0.903 123.774 122.820 0.086 0.000 1.859 84 A HA 0.312 4.632 4.320 -0.000 0.000 0.212 84 A C 2.132 179.770 177.584 0.089 0.000 1.238 84 A CA 1.356 53.453 52.037 0.099 0.000 0.613 84 A CB -0.738 18.347 19.000 0.141 0.000 0.904 84 A HN 0.200 nan 8.150 nan 0.000 0.457 85 A N -1.705 121.165 122.820 0.083 0.000 1.861 85 A HA 0.402 4.722 4.320 -0.000 0.000 0.214 85 A C 1.833 179.461 177.584 0.075 0.000 1.322 85 A CA 2.176 54.257 52.037 0.073 0.000 0.601 85 A CB -0.871 18.162 19.000 0.056 0.000 0.966 85 A HN 1.638 nan 8.150 nan 0.000 0.471 86 G N -2.293 106.517 108.800 0.017 0.000 4.362 86 G HA2 0.324 4.284 3.960 -0.000 0.000 0.220 86 G HA3 0.324 4.284 3.960 -0.000 0.000 0.220 86 G C -0.382 174.478 174.900 -0.068 0.000 0.795 86 G CA 0.753 45.808 45.100 -0.075 0.000 0.920 86 G HN 0.782 nan 8.290 nan 0.000 0.715 87 D N -2.810 117.579 120.400 -0.018 0.000 2.851 87 D HA 0.518 5.158 4.640 -0.000 0.000 0.339 87 D C 1.176 177.484 176.300 0.013 0.000 1.347 87 D CA 1.057 55.051 54.000 -0.010 0.000 0.888 87 D CB 0.312 41.108 40.800 -0.007 0.000 1.431 87 D HN 1.177 nan 8.370 nan 0.000 0.509 88 G N -1.028 107.780 108.800 0.014 0.000 2.308 88 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.221 88 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.221 88 G C 1.381 176.298 174.900 0.028 0.000 1.032 88 G CA 1.155 46.272 45.100 0.027 0.000 0.623 88 G HN 1.246 nan 8.290 nan 0.000 0.506 89 T N -0.668 113.898 114.554 0.020 0.000 2.680 89 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 89 T C 2.224 176.929 174.700 0.008 0.000 1.033 89 T CA 3.156 65.263 62.100 0.012 0.000 1.152 89 T CB -1.172 67.693 68.868 -0.005 0.000 0.859 89 T HN 0.649 nan 8.240 nan 0.000 0.452 90 T N 1.474 116.031 114.554 0.004 0.000 2.867 90 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 90 T C 2.232 176.936 174.700 0.007 0.000 1.057 90 T CA 1.777 63.879 62.100 0.002 0.000 1.136 90 T CB -0.814 68.053 68.868 -0.000 0.000 0.874 90 T HN 0.648 nan 8.240 nan 0.000 0.466 91 T N 2.121 116.682 114.554 0.012 0.000 2.732 91 T HA 0.085 4.435 4.350 -0.000 0.000 0.261 91 T C 2.502 177.215 174.700 0.022 0.000 1.040 91 T CA 0.937 63.046 62.100 0.015 0.000 1.145 91 T CB -0.720 68.158 68.868 0.017 0.000 0.866 91 T HN 0.403 nan 8.240 nan 0.000 0.427 92 A N 2.021 124.861 122.820 0.034 0.000 1.869 92 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 92 A C 2.564 180.167 177.584 0.031 0.000 1.203 92 A CA 2.624 54.689 52.037 0.047 0.000 0.638 92 A CB -1.693 17.347 19.000 0.067 0.000 0.831 92 A HN 0.486 nan 8.150 nan 0.000 0.450 93 T N -0.791 113.775 114.554 0.020 0.000 2.653 93 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 93 T C 1.827 176.533 174.700 0.010 0.000 1.035 93 T CA 1.878 63.984 62.100 0.011 0.000 1.154 93 T CB -0.743 68.128 68.868 0.004 0.000 0.862 93 T HN 0.419 nan 8.240 nan 0.000 0.441 94 V N 0.536 120.455 119.914 0.009 0.000 2.809 94 V HA 0.023 4.143 4.120 -0.000 0.000 0.256 94 V C 2.030 178.128 176.094 0.007 0.000 1.080 94 V CA 1.223 63.526 62.300 0.005 0.000 1.102 94 V CB -0.504 31.320 31.823 0.002 0.000 0.705 94 V HN 0.474 nan 8.190 nan 0.000 0.475 95 L N -0.024 121.206 121.223 0.012 0.000 2.034 95 L HA 0.050 4.390 4.340 -0.000 0.000 0.203 95 L C 2.867 179.746 176.870 0.015 0.000 1.074 95 L CA 1.484 56.332 54.840 0.014 0.000 0.748 95 L CB -0.924 41.148 42.059 0.020 0.000 0.905 95 L HN 0.389 nan 8.230 nan 0.000 0.439 96 A N -0.434 122.398 122.820 0.020 0.000 1.869 96 A HA -0.365 3.955 4.320 -0.000 0.000 0.218 96 A C 2.211 179.803 177.584 0.012 0.000 1.203 96 A CA 2.318 54.367 52.037 0.019 0.000 0.638 96 A CB -0.983 18.029 19.000 0.021 0.000 0.831 96 A HN 0.520 nan 8.150 nan 0.000 0.450 97 Q N -0.750 119.056 119.800 0.009 0.000 2.082 97 Q HA -0.304 4.036 4.340 -0.000 0.000 0.211 97 Q C 2.283 178.286 176.000 0.005 0.000 1.002 97 Q CA 2.492 58.299 55.803 0.006 0.000 0.868 97 Q CB -0.430 28.311 28.738 0.004 0.000 0.931 97 Q HN 0.656 nan 8.270 nan 0.000 0.414 98 A N 0.484 123.307 122.820 0.005 0.000 1.908 98 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 98 A C 1.992 179.578 177.584 0.004 0.000 1.181 98 A CA 1.686 53.725 52.037 0.003 0.000 0.627 98 A CB -0.679 18.323 19.000 0.002 0.000 0.818 98 A HN 0.485 nan 8.150 nan 0.000 0.445 99 I N -0.361 120.213 120.570 0.006 0.000 2.133 99 I HA -0.231 3.939 4.170 -0.000 0.000 0.238 99 I C 2.322 178.443 176.117 0.005 0.000 1.074 99 I CA 1.387 62.690 61.300 0.006 0.000 1.342 99 I CB -0.534 37.472 38.000 0.010 0.000 1.053 99 I HN 0.261 nan 8.210 nan 0.000 0.404 100 I N 0.867 121.440 120.570 0.006 0.000 2.151 100 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 100 I C 2.593 178.712 176.117 0.003 0.000 1.080 100 I CA 1.870 63.173 61.300 0.005 0.000 1.339 100 I CB -0.938 37.066 38.000 0.005 0.000 1.039 100 I HN 0.318 nan 8.210 nan 0.000 0.409 101 T N -0.113 114.443 114.554 0.003 0.000 2.759 101 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 101 T C 1.780 176.481 174.700 0.002 0.000 1.042 101 T CA 1.243 63.344 62.100 0.002 0.000 1.140 101 T CB -0.138 68.731 68.868 0.002 0.000 0.864 101 T HN 0.308 nan 8.240 nan 0.000 0.455 102 E N 0.259 120.460 120.200 0.002 0.000 2.276 102 E HA 0.152 4.502 4.350 -0.000 0.000 0.193 102 E C 2.408 179.009 176.600 0.001 0.000 0.983 102 E CA 0.428 56.828 56.400 0.001 0.000 0.861 102 E CB -0.436 29.265 29.700 0.001 0.000 0.817 102 E HN 0.525 nan 8.360 nan 0.000 0.485 103 G N 1.771 110.572 108.800 0.002 0.000 2.505 103 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.214 103 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.214 103 G C 1.618 176.518 174.900 0.001 0.000 1.237 103 G CA 0.479 45.580 45.100 0.002 0.000 0.802 103 G HN 0.188 nan 8.290 nan 0.000 0.549 104 L N 0.340 121.563 121.223 0.001 0.000 2.263 104 L HA -0.074 4.266 4.340 -0.000 0.000 0.216 104 L C 2.714 179.584 176.870 0.000 0.000 1.111 104 L CA 1.254 56.094 54.840 -0.000 0.000 0.773 104 L CB -0.358 41.700 42.059 -0.001 0.000 0.906 104 L HN 0.250 nan 8.230 nan 0.000 0.439 105 K N 0.225 120.626 120.400 0.001 0.000 2.288 105 K HA -0.065 4.255 4.320 -0.000 0.000 0.201 105 K C 2.070 178.670 176.600 0.001 0.000 1.048 105 K CA 0.884 57.171 56.287 0.001 0.000 0.956 105 K CB 0.128 32.628 32.500 0.001 0.000 0.746 105 K HN 0.296 nan 8.250 nan 0.000 0.461 106 A N 0.174 122.995 122.820 0.000 0.000 1.862 106 A HA -0.011 4.309 4.320 -0.000 0.000 0.211 106 A C 2.082 179.666 177.584 -0.000 0.000 1.220 106 A CA 0.720 52.757 52.037 0.000 0.000 0.616 106 A CB -0.620 18.380 19.000 0.000 0.000 0.878 106 A HN 0.061 nan 8.150 nan 0.000 0.453 107 V N 0.528 120.441 119.914 -0.001 0.000 2.233 107 V HA -0.364 3.756 4.120 -0.000 0.000 0.252 107 V C 2.962 179.056 176.094 -0.001 0.000 1.063 107 V CA 2.380 64.679 62.300 -0.001 0.000 1.032 107 V CB -1.316 30.506 31.823 -0.002 0.000 0.645 107 V HN 0.607 nan 8.190 nan 0.000 0.446 108 A N -0.666 122.154 122.820 0.000 0.000 2.225 108 A HA 0.093 4.413 4.320 -0.000 0.000 0.215 108 A C 2.116 179.701 177.584 0.001 0.000 1.164 108 A CA 1.597 53.635 52.037 0.001 0.000 0.710 108 A CB -0.534 18.467 19.000 0.002 0.000 0.780 108 A HN 0.665 nan 8.150 nan 0.000 0.473 109 A N -2.165 120.656 122.820 0.001 0.000 2.238 109 A HA 0.450 4.770 4.320 -0.000 0.000 0.210 109 A C 1.603 179.187 177.584 -0.000 0.000 1.179 109 A CA 1.168 53.206 52.037 0.001 0.000 0.827 109 A CB -0.318 18.682 19.000 0.000 0.000 0.856 109 A HN 1.674 nan 8.150 nan 0.000 0.488 110 G N -1.929 106.870 108.800 -0.001 0.000 2.183 110 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.168 110 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.168 110 G C 0.066 174.965 174.900 -0.002 0.000 1.008 110 G CA 0.022 45.121 45.100 -0.002 0.000 0.677 110 G HN 0.280 nan 8.290 nan 0.000 0.498 111 M N 0.812 120.411 119.600 -0.002 0.000 2.359 111 M HA 0.374 4.854 4.480 -0.000 0.000 0.322 111 M C 0.505 176.803 176.300 -0.004 0.000 1.166 111 M CA -0.800 54.498 55.300 -0.003 0.000 1.067 111 M CB 0.850 33.449 32.600 -0.002 0.000 1.523 111 M HN 0.143 nan 8.290 nan 0.000 0.467 112 N N 1.804 120.501 118.700 -0.004 0.000 2.475 112 N HA 0.115 4.855 4.740 -0.000 0.000 0.267 112 N C -2.275 173.232 175.510 -0.005 0.000 1.169 112 N CA -1.233 51.814 53.050 -0.005 0.000 0.947 112 N CB 1.299 39.783 38.487 -0.006 0.000 1.061 112 N HN 0.256 nan 8.380 nan 0.000 0.466 113 P HA -0.052 nan 4.420 nan 0.000 0.213 113 P C 1.767 179.065 177.300 -0.004 0.000 1.170 113 P CA 1.158 64.255 63.100 -0.005 0.000 0.893 113 P CB 0.173 31.869 31.700 -0.006 0.000 0.784 114 M N -0.506 119.090 119.600 -0.005 0.000 2.260 114 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 114 M C 1.173 177.471 176.300 -0.003 0.000 1.066 114 M CA 1.684 56.981 55.300 -0.004 0.000 1.082 114 M CB -1.506 31.091 32.600 -0.006 0.000 1.388 114 M HN 0.010 nan 8.290 nan 0.000 0.419 115 D N -0.157 120.241 120.400 -0.003 0.000 2.149 115 D HA 0.026 4.666 4.640 -0.000 0.000 0.206 115 D C 2.240 178.539 176.300 -0.001 0.000 0.967 115 D CA 0.708 54.707 54.000 -0.002 0.000 0.848 115 D CB -0.204 40.594 40.800 -0.003 0.000 0.998 115 D HN 0.304 nan 8.370 nan 0.000 0.474 116 L N 1.021 122.243 121.223 -0.001 0.000 2.137 116 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 116 L C 2.467 179.338 176.870 0.001 0.000 1.085 116 L CA 1.223 56.063 54.840 -0.000 0.000 0.760 116 L CB -0.370 41.689 42.059 -0.000 0.000 0.893 116 L HN 0.041 nan 8.230 nan 0.000 0.434 117 K N 0.304 120.704 120.400 0.001 0.000 2.097 117 K HA -0.200 4.120 4.320 -0.000 0.000 0.205 117 K C 2.306 178.907 176.600 0.002 0.000 1.050 117 K CA 1.107 57.395 56.287 0.002 0.000 0.938 117 K CB 0.068 32.569 32.500 0.002 0.000 0.718 117 K HN 0.120 nan 8.250 nan 0.000 0.442 118 R N -0.192 120.308 120.500 0.000 0.000 2.057 118 R HA -0.047 4.293 4.340 -0.000 0.000 0.229 118 R C 2.369 178.669 176.300 -0.000 0.000 1.136 118 R CA 1.572 57.672 56.100 -0.000 0.000 0.952 118 R CB -0.652 29.647 30.300 -0.001 0.000 0.848 118 R HN 0.380 nan 8.270 nan 0.000 0.430 119 G N 1.191 109.991 108.800 -0.000 0.000 2.513 119 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 119 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 119 G C 1.438 176.338 174.900 0.000 0.000 1.160 119 G CA 1.273 46.373 45.100 -0.000 0.000 0.767 119 G HN 0.291 nan 8.290 nan 0.000 0.571 120 I N 0.640 121.211 120.570 0.001 0.000 2.179 120 I HA -0.128 4.042 4.170 -0.000 0.000 0.242 120 I C 2.244 178.361 176.117 0.001 0.000 1.088 120 I CA 1.339 62.640 61.300 0.002 0.000 1.357 120 I CB -0.198 37.804 38.000 0.003 0.000 1.051 120 I HN 0.092 nan 8.210 nan 0.000 0.409 121 D N 0.535 120.936 120.400 0.000 0.000 2.264 121 D HA -0.179 4.461 4.640 -0.000 0.000 0.208 121 D C 2.011 178.309 176.300 -0.004 0.000 0.966 121 D CA 0.979 54.978 54.000 -0.002 0.000 0.864 121 D CB -0.001 40.798 40.800 -0.000 0.000 0.933 121 D HN 0.342 nan 8.370 nan 0.000 0.499 122 K N 0.849 121.248 120.400 -0.003 0.000 2.005 122 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 122 K C 2.128 178.726 176.600 -0.003 0.000 1.044 122 K CA 0.932 57.217 56.287 -0.003 0.000 0.942 122 K CB -0.023 32.476 32.500 -0.002 0.000 0.727 122 K HN -0.072 nan 8.250 nan 0.000 0.439 123 A N 0.868 123.687 122.820 -0.002 0.000 2.009 123 A HA -0.177 4.143 4.320 -0.000 0.000 0.222 123 A C 2.195 179.777 177.584 -0.003 0.000 1.175 123 A CA 1.954 53.990 52.037 -0.002 0.000 0.651 123 A CB -0.728 18.271 19.000 -0.000 0.000 0.815 123 A HN 0.220 nan 8.150 nan 0.000 0.459 124 V N -0.826 119.085 119.914 -0.005 0.000 2.256 124 V HA -0.179 3.941 4.120 -0.000 0.000 0.240 124 V C 2.669 178.756 176.094 -0.012 0.000 1.036 124 V CA 2.321 64.616 62.300 -0.009 0.000 1.008 124 V CB -1.254 30.562 31.823 -0.011 0.000 0.648 124 V HN 0.603 nan 8.190 nan 0.000 0.453 125 T N 0.670 115.217 114.554 -0.013 0.000 2.792 125 T HA -0.266 4.084 4.350 -0.000 0.000 0.268 125 T C 1.837 176.530 174.700 -0.011 0.000 1.059 125 T CA 1.728 63.820 62.100 -0.014 0.000 1.136 125 T CB -0.418 68.443 68.868 -0.011 0.000 0.846 125 T HN 0.569 nan 8.240 nan 0.000 0.489 126 A N 1.401 124.216 122.820 -0.007 0.000 1.843 126 A HA 0.426 4.746 4.320 -0.000 0.000 0.213 126 A C 2.707 180.288 177.584 -0.005 0.000 1.202 126 A CA 1.290 53.324 52.037 -0.005 0.000 0.607 126 A CB -1.249 17.749 19.000 -0.003 0.000 0.847 126 A HN 0.484 nan 8.150 nan 0.000 0.445 127 A N -0.368 122.449 122.820 -0.004 0.000 2.024 127 A HA -0.025 4.295 4.320 -0.000 0.000 0.220 127 A C 2.096 179.676 177.584 -0.006 0.000 1.164 127 A CA 1.820 53.855 52.037 -0.003 0.000 0.643 127 A CB -0.887 18.112 19.000 -0.002 0.000 0.806 127 A HN 0.432 nan 8.150 nan 0.000 0.451 128 V N -0.347 119.561 119.914 -0.011 0.000 2.515 128 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 128 V C 2.274 178.361 176.094 -0.012 0.000 1.058 128 V CA 2.224 64.514 62.300 -0.016 0.000 1.064 128 V CB -0.695 31.113 31.823 -0.025 0.000 0.675 128 V HN 0.659 nan 8.190 nan 0.000 0.461 129 E N -0.219 119.976 120.200 -0.008 0.000 2.075 129 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 129 E C 2.177 178.776 176.600 -0.001 0.000 0.969 129 E CA 0.602 56.999 56.400 -0.005 0.000 0.815 129 E CB -0.105 29.593 29.700 -0.004 0.000 0.776 129 E HN 0.426 nan 8.360 nan 0.000 0.457 130 E N 0.969 121.169 120.200 0.000 0.000 2.284 130 E HA -0.202 4.148 4.350 -0.000 0.000 0.200 130 E C 1.708 178.311 176.600 0.005 0.000 1.008 130 E CA 0.585 56.987 56.400 0.004 0.000 0.829 130 E CB -0.039 29.663 29.700 0.004 0.000 0.744 130 E HN 0.123 nan 8.360 nan 0.000 0.491 131 L N 0.189 121.413 121.223 0.003 0.000 2.162 131 L HA 0.028 4.368 4.340 -0.000 0.000 0.205 131 L C 1.668 178.541 176.870 0.004 0.000 1.086 131 L CA 1.294 56.136 54.840 0.004 0.000 0.778 131 L CB -0.010 42.049 42.059 -0.000 0.000 0.928 131 L HN -0.080 nan 8.230 nan 0.000 0.446 132 K N -0.406 119.994 120.400 0.001 0.000 2.574 132 K HA -0.022 4.298 4.320 -0.000 0.000 0.193 132 K C 1.761 178.364 176.600 0.004 0.000 1.035 132 K CA 0.565 56.852 56.287 0.001 0.000 0.982 132 K CB -0.051 32.448 32.500 -0.001 0.000 0.795 132 K HN 0.443 nan 8.250 nan 0.000 0.491 133 A N 1.433 124.256 122.820 0.006 0.000 1.835 133 A HA -0.069 4.251 4.320 -0.000 0.000 0.213 133 A C 1.982 179.573 177.584 0.010 0.000 1.210 133 A CA 0.697 52.738 52.037 0.008 0.000 0.605 133 A CB -0.485 18.521 19.000 0.009 0.000 0.860 133 A HN 0.109 nan 8.150 nan 0.000 0.447 134 L N 0.444 121.674 121.223 0.013 0.000 2.081 134 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 134 L C 1.548 178.427 176.870 0.015 0.000 1.080 134 L CA 1.189 56.039 54.840 0.017 0.000 0.754 134 L CB -1.263 40.808 42.059 0.020 0.000 0.893 134 L HN 0.426 nan 8.230 nan 0.000 0.433 135 S N 0.412 116.119 115.700 0.012 0.000 3.074 135 S HA -0.004 4.466 4.470 -0.000 0.000 0.359 135 S C -0.135 174.472 174.600 0.011 0.000 1.207 135 S CA -0.282 57.924 58.200 0.011 0.000 1.061 135 S CB -0.108 63.096 63.200 0.007 0.000 0.769 135 S HN 0.074 nan 8.310 nan 0.000 0.512 136 V N 9.639 129.561 119.914 0.012 0.000 2.347 136 V HA 0.331 4.451 4.120 -0.000 0.000 0.280 136 V C -1.700 174.401 176.094 0.010 0.000 1.021 136 V CA -1.776 60.531 62.300 0.012 0.000 0.847 136 V CB 1.002 32.833 31.823 0.014 0.000 0.990 136 V HN 0.755 nan 8.190 nan 0.000 0.444 137 P HA -0.072 nan 4.420 nan 0.000 0.274 137 P C -0.218 177.086 177.300 0.007 0.000 1.224 137 P CA 0.090 63.194 63.100 0.007 0.000 0.803 137 P CB 0.309 32.013 31.700 0.006 0.000 0.876 138 C N 1.078 120.381 119.300 0.006 0.000 3.079 138 C HA 0.296 4.756 4.460 -0.000 0.000 0.246 138 C C 1.179 176.172 174.990 0.004 0.000 1.025 138 C CA 0.020 59.041 59.018 0.006 0.000 1.081 138 C CB -1.366 26.378 27.740 0.007 0.000 1.757 138 C HN 0.551 nan 8.230 nan 0.000 0.646 139 S N 0.622 116.324 115.700 0.003 0.000 2.545 139 S HA 0.084 4.554 4.470 -0.000 0.000 0.232 139 S C 0.370 174.970 174.600 0.001 0.000 1.070 139 S CA 0.186 58.387 58.200 0.002 0.000 0.923 139 S CB 0.041 63.242 63.200 0.002 0.000 0.806 139 S HN 0.922 nan 8.310 nan 0.000 0.506 140 D N 2.336 122.737 120.400 0.002 0.000 2.348 140 D HA 0.080 4.720 4.640 -0.000 0.000 0.253 140 D C 0.683 176.983 176.300 0.001 0.000 1.161 140 D CA 0.012 54.013 54.000 0.001 0.000 0.876 140 D CB 1.118 41.919 40.800 0.002 0.000 1.160 140 D HN 0.165 nan 8.370 nan 0.000 0.459 141 S N 1.662 117.362 115.700 0.000 0.000 2.559 141 S HA -0.244 4.226 4.470 -0.000 0.000 0.250 141 S C 1.346 175.947 174.600 0.001 0.000 0.977 141 S CA 0.718 58.918 58.200 -0.000 0.000 0.958 141 S CB -0.303 62.896 63.200 -0.001 0.000 0.751 141 S HN 0.659 nan 8.310 nan 0.000 0.534 142 K N 1.333 121.734 120.400 0.002 0.000 2.141 142 K HA 0.258 4.578 4.320 -0.000 0.000 0.202 142 K C 2.241 178.843 176.600 0.003 0.000 1.045 142 K CA 0.739 57.027 56.287 0.002 0.000 0.971 142 K CB -0.434 32.067 32.500 0.002 0.000 0.795 142 K HN 0.353 nan 8.250 nan 0.000 0.459 143 A N 1.333 124.155 122.820 0.004 0.000 2.014 143 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 143 A C 1.975 179.562 177.584 0.005 0.000 1.163 143 A CA 0.764 52.804 52.037 0.005 0.000 0.652 143 A CB -0.435 18.568 19.000 0.006 0.000 0.808 143 A HN 0.324 nan 8.150 nan 0.000 0.449 144 I N -0.344 120.229 120.570 0.004 0.000 2.286 144 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 144 I C 2.955 179.075 176.117 0.004 0.000 1.115 144 I CA 0.977 62.279 61.300 0.003 0.000 1.392 144 I CB -0.269 37.731 38.000 0.001 0.000 1.065 144 I HN 0.386 nan 8.210 nan 0.000 0.418 145 A N 0.346 123.168 122.820 0.003 0.000 1.877 145 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 145 A C 2.206 179.793 177.584 0.005 0.000 1.186 145 A CA 1.598 53.637 52.037 0.004 0.000 0.620 145 A CB -0.704 18.298 19.000 0.003 0.000 0.822 145 A HN 0.463 nan 8.150 nan 0.000 0.443 146 Q N -0.508 119.296 119.800 0.006 0.000 2.152 146 Q HA -0.145 4.195 4.340 -0.000 0.000 0.206 146 Q C 2.121 178.126 176.000 0.008 0.000 0.985 146 Q CA 1.657 57.464 55.803 0.007 0.000 0.863 146 Q CB -0.464 28.278 28.738 0.007 0.000 0.904 146 Q HN 0.514 nan 8.270 nan 0.000 0.422 147 V N 0.325 120.245 119.914 0.009 0.000 2.221 147 V HA -0.186 3.934 4.120 -0.000 0.000 0.242 147 V C 2.291 178.392 176.094 0.012 0.000 1.041 147 V CA 2.069 64.376 62.300 0.011 0.000 0.995 147 V CB -1.273 30.558 31.823 0.012 0.000 0.635 147 V HN 0.550 nan 8.190 nan 0.000 0.448 148 G N -0.710 108.097 108.800 0.011 0.000 2.507 148 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.221 148 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.221 148 G C 1.642 176.549 174.900 0.011 0.000 1.119 148 G CA 1.768 46.876 45.100 0.012 0.000 0.751 148 G HN 0.486 nan 8.290 nan 0.000 0.574 149 T N 0.936 115.496 114.554 0.009 0.000 2.867 149 T HA 0.029 4.379 4.350 -0.000 0.000 0.268 149 T C 2.296 177.000 174.700 0.008 0.000 1.057 149 T CA 0.781 62.885 62.100 0.007 0.000 1.136 149 T CB -0.078 68.794 68.868 0.006 0.000 0.874 149 T HN 0.323 nan 8.240 nan 0.000 0.466 150 I N 0.652 121.227 120.570 0.009 0.000 2.876 150 I HA 0.002 4.172 4.170 -0.000 0.000 0.264 150 I C 2.125 178.248 176.117 0.010 0.000 1.204 150 I CA 0.547 61.852 61.300 0.008 0.000 1.485 150 I CB -0.080 37.925 38.000 0.009 0.000 1.103 150 I HN 0.108 nan 8.210 nan 0.000 0.446 151 S N 0.845 116.553 115.700 0.013 0.000 2.527 151 S HA 0.143 4.613 4.470 -0.000 0.000 0.222 151 S C 1.658 176.267 174.600 0.015 0.000 0.985 151 S CA 0.732 58.942 58.200 0.016 0.000 0.921 151 S CB 0.135 63.350 63.200 0.024 0.000 0.772 151 S HN 0.479 nan 8.310 nan 0.000 0.529 152 A N 1.343 124.170 122.820 0.012 0.000 2.500 152 A HA 0.447 4.767 4.320 -0.000 0.000 0.267 152 A C 0.559 178.148 177.584 0.007 0.000 1.290 152 A CA -0.375 51.668 52.037 0.011 0.000 0.928 152 A CB -0.393 18.613 19.000 0.010 0.000 1.066 152 A HN 0.364 nan 8.150 nan 0.000 0.516 153 N N -0.226 118.478 118.700 0.006 0.000 2.746 153 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 153 N C 0.207 175.719 175.510 0.003 0.000 1.055 153 N CA 1.039 54.092 53.050 0.004 0.000 0.699 153 N CB -1.872 36.617 38.487 0.003 0.000 0.919 153 N HN 0.516 nan 8.380 nan 0.000 0.548 154 S N -1.532 114.170 115.700 0.003 0.000 3.490 154 S HA -0.234 4.236 4.470 -0.000 0.000 0.301 154 S C -0.351 174.250 174.600 0.003 0.000 1.233 154 S CA 0.852 59.054 58.200 0.003 0.000 0.914 154 S CB -1.026 62.175 63.200 0.001 0.000 1.047 154 S HN 0.770 nan 8.310 nan 0.000 0.602 155 D N 1.348 121.751 120.400 0.004 0.000 2.441 155 D HA 0.217 4.857 4.640 -0.000 0.000 0.221 155 D C 1.129 177.432 176.300 0.004 0.000 1.156 155 D CA -0.270 53.732 54.000 0.004 0.000 0.896 155 D CB 0.503 41.306 40.800 0.004 0.000 1.028 155 D HN 0.474 nan 8.370 nan 0.000 0.509 156 E N 1.367 121.569 120.200 0.003 0.000 2.130 156 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 156 E C 1.517 178.119 176.600 0.003 0.000 0.998 156 E CA 1.277 57.678 56.400 0.003 0.000 0.806 156 E CB 0.150 29.851 29.700 0.002 0.000 0.738 156 E HN 0.500 nan 8.360 nan 0.000 0.459 157 T N 1.023 115.578 114.554 0.002 0.000 2.699 157 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 157 T C 2.100 176.801 174.700 0.002 0.000 1.036 157 T CA 1.447 63.548 62.100 0.002 0.000 1.147 157 T CB -0.310 68.559 68.868 0.002 0.000 0.862 157 T HN 0.001 nan 8.240 nan 0.000 0.446 158 V N 1.489 121.405 119.914 0.004 0.000 2.216 158 V HA -0.098 4.022 4.120 -0.000 0.000 0.243 158 V C 2.931 179.027 176.094 0.004 0.000 1.044 158 V CA 2.005 64.308 62.300 0.005 0.000 0.995 158 V CB -1.632 30.195 31.823 0.007 0.000 0.633 158 V HN 0.574 nan 8.190 nan 0.000 0.446 159 G N 0.010 108.813 108.800 0.005 0.000 2.663 159 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.222 159 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.222 159 G C 1.635 176.536 174.900 0.002 0.000 1.146 159 G CA 1.795 46.898 45.100 0.004 0.000 0.764 159 G HN 0.543 nan 8.290 nan 0.000 0.608 160 K N 0.061 120.462 120.400 0.002 0.000 2.002 160 K HA 0.031 4.351 4.320 -0.000 0.000 0.209 160 K C 2.634 179.233 176.600 -0.001 0.000 1.048 160 K CA 1.135 57.422 56.287 0.000 0.000 0.930 160 K CB -0.376 32.124 32.500 0.000 0.000 0.714 160 K HN 0.348 nan 8.250 nan 0.000 0.438 161 L N 1.162 122.385 121.223 -0.001 0.000 2.034 161 L HA -0.292 4.048 4.340 -0.000 0.000 0.217 161 L C 2.498 179.366 176.870 -0.004 0.000 1.077 161 L CA 1.635 56.474 54.840 -0.002 0.000 0.769 161 L CB -0.417 41.642 42.059 -0.001 0.000 0.890 161 L HN 0.328 nan 8.230 nan 0.000 0.435 162 I N -0.782 119.786 120.570 -0.003 0.000 2.090 162 I HA -0.336 3.834 4.170 -0.000 0.000 0.236 162 I C 2.811 178.924 176.117 -0.007 0.000 1.064 162 I CA 1.301 62.598 61.300 -0.006 0.000 1.324 162 I CB -0.672 37.326 38.000 -0.003 0.000 1.044 162 I HN 0.255 nan 8.210 nan 0.000 0.399 163 A N 0.592 123.409 122.820 -0.004 0.000 1.915 163 A HA -0.304 4.016 4.320 -0.000 0.000 0.220 163 A C 2.184 179.765 177.584 -0.005 0.000 1.198 163 A CA 2.311 54.346 52.037 -0.004 0.000 0.647 163 A CB -0.892 18.107 19.000 -0.002 0.000 0.825 163 A HN 0.550 nan 8.150 nan 0.000 0.456 164 E N -0.645 119.552 120.200 -0.005 0.000 2.153 164 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 164 E C 2.321 178.916 176.600 -0.007 0.000 0.988 164 E CA 0.856 57.253 56.400 -0.005 0.000 0.811 164 E CB -0.276 29.422 29.700 -0.004 0.000 0.746 164 E HN 0.674 nan 8.360 nan 0.000 0.466 165 A N 1.297 124.112 122.820 -0.009 0.000 1.854 165 A HA -0.143 4.177 4.320 -0.000 0.000 0.214 165 A C 2.181 179.757 177.584 -0.013 0.000 1.192 165 A CA 1.145 53.175 52.037 -0.012 0.000 0.611 165 A CB -0.417 18.575 19.000 -0.014 0.000 0.832 165 A HN 0.104 nan 8.150 nan 0.000 0.442 166 M N -0.820 118.772 119.600 -0.013 0.000 2.213 166 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 166 M C 1.373 177.667 176.300 -0.010 0.000 1.062 166 M CA 1.729 57.021 55.300 -0.013 0.000 1.105 166 M CB -0.593 31.999 32.600 -0.013 0.000 1.385 166 M HN 0.360 nan 8.290 nan 0.000 0.417 167 D N 0.313 120.708 120.400 -0.008 0.000 2.378 167 D HA -0.061 4.579 4.640 -0.000 0.000 0.227 167 D C 1.797 178.093 176.300 -0.007 0.000 1.012 167 D CA 0.755 54.751 54.000 -0.007 0.000 0.905 167 D CB 0.303 41.100 40.800 -0.005 0.000 0.895 167 D HN 0.041 nan 8.370 nan 0.000 0.532 168 K N -0.682 119.713 120.400 -0.008 0.000 2.399 168 K HA 0.116 4.436 4.320 -0.000 0.000 0.196 168 K C 0.877 177.472 176.600 -0.009 0.000 1.103 168 K CA 0.445 56.727 56.287 -0.008 0.000 0.986 168 K CB 1.522 34.016 32.500 -0.009 0.000 0.952 168 K HN 0.150 nan 8.250 nan 0.000 0.541 169 V N -2.982 116.925 119.914 -0.011 0.000 3.261 169 V HA 0.440 4.560 4.120 -0.000 0.000 0.330 169 V C 0.258 176.345 176.094 -0.012 0.000 1.461 169 V CA -0.199 62.094 62.300 -0.012 0.000 1.127 169 V CB 0.092 31.906 31.823 -0.014 0.000 1.044 169 V HN 0.218 nan 8.190 nan 0.000 0.499 170 G N 2.524 111.318 108.800 -0.011 0.000 2.750 170 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.686 170 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.686 170 G C 0.252 175.144 174.900 -0.012 0.000 1.395 170 G CA -0.011 45.083 45.100 -0.010 0.000 0.918 170 G HN 0.777 nan 8.290 nan 0.000 0.594 171 K N 0.354 120.748 120.400 -0.011 0.000 2.633 171 K HA -0.024 4.296 4.320 -0.000 0.000 0.193 171 K C 0.624 177.215 176.600 -0.015 0.000 1.033 171 K CA 1.372 57.651 56.287 -0.013 0.000 0.980 171 K CB 0.383 32.877 32.500 -0.009 0.000 0.800 171 K HN 0.519 nan 8.250 nan 0.000 0.493 172 E N 1.101 121.293 120.200 -0.014 0.000 2.651 172 E HA 0.125 4.475 4.350 -0.000 0.000 0.208 172 E C 0.414 177.004 176.600 -0.017 0.000 0.997 172 E CA -0.097 56.294 56.400 -0.014 0.000 1.020 172 E CB 1.172 30.866 29.700 -0.010 0.000 1.052 172 E HN 0.415 nan 8.360 nan 0.000 0.465 173 G N 0.387 109.175 108.800 -0.020 0.000 2.642 173 G HA2 0.439 4.399 3.960 -0.000 0.000 0.291 173 G HA3 0.439 4.399 3.960 -0.000 0.000 0.291 173 G C -0.080 174.801 174.900 -0.031 0.000 1.345 173 G CA -0.435 44.651 45.100 -0.022 0.000 1.043 173 G HN -0.034 nan 8.290 nan 0.000 0.528 174 V N 0.041 119.936 119.914 -0.031 0.000 2.509 174 V HA 0.575 4.695 4.120 -0.000 0.000 0.284 174 V C -0.117 175.951 176.094 -0.042 0.000 1.047 174 V CA -0.354 61.922 62.300 -0.041 0.000 0.952 174 V CB 0.901 32.702 31.823 -0.036 0.000 0.988 174 V HN 0.483 nan 8.190 nan 0.000 0.469 175 I N 3.114 123.651 120.570 -0.054 0.000 2.571 175 I HA 0.516 4.686 4.170 -0.000 0.000 0.289 175 I C -0.385 175.700 176.117 -0.053 0.000 1.115 175 I CA -0.152 61.118 61.300 -0.050 0.000 1.045 175 I CB 2.482 40.451 38.000 -0.052 0.000 1.238 175 I HN 0.615 nan 8.210 nan 0.000 0.424 176 T N 4.574 119.105 114.554 -0.039 0.000 2.907 176 T HA 0.605 4.955 4.350 -0.000 0.000 0.292 176 T C -0.502 174.185 174.700 -0.021 0.000 1.043 176 T CA -0.722 61.358 62.100 -0.033 0.000 1.003 176 T CB 2.495 71.344 68.868 -0.032 0.000 1.084 176 T HN 0.384 nan 8.240 nan 0.000 0.483 177 V N 0.066 119.972 119.914 -0.013 0.000 2.378 177 V HA 0.643 4.763 4.120 -0.000 0.000 0.288 177 V C -0.199 175.894 176.094 -0.003 0.000 1.016 177 V CA -0.823 61.474 62.300 -0.005 0.000 0.840 177 V CB 1.028 32.853 31.823 0.003 0.000 0.994 177 V HN 0.866 nan 8.190 nan 0.000 0.431 178 E N 2.538 122.736 120.200 -0.004 0.000 2.961 178 E HA 0.427 4.777 4.350 -0.000 0.000 0.254 178 E C -0.937 175.662 176.600 -0.000 0.000 1.192 178 E CA -0.939 55.459 56.400 -0.003 0.000 1.069 178 E CB 0.828 30.524 29.700 -0.007 0.000 1.338 178 E HN 0.764 nan 8.360 nan 0.000 0.596 179 D N -0.110 120.290 120.400 -0.000 0.000 2.229 179 D HA 0.282 4.922 4.640 -0.000 0.000 0.249 179 D C -0.137 176.162 176.300 -0.000 0.000 1.027 179 D CA -0.220 53.781 54.000 0.001 0.000 0.923 179 D CB 1.486 42.287 40.800 0.002 0.000 1.174 179 D HN 0.441 nan 8.370 nan 0.000 0.443 180 G N -0.893 107.907 108.800 0.000 0.000 2.539 180 G HA2 0.283 4.243 3.960 -0.000 0.000 0.258 180 G HA3 0.283 4.243 3.960 -0.000 0.000 0.258 180 G C 0.847 175.747 174.900 -0.001 0.000 1.202 180 G CA -0.302 44.798 45.100 -0.000 0.000 0.851 180 G HN 0.450 nan 8.290 nan 0.000 0.556 181 T N -2.764 111.790 114.554 -0.001 0.000 3.069 181 T HA 0.467 4.817 4.350 -0.000 0.000 0.252 181 T C 0.986 175.685 174.700 -0.001 0.000 1.053 181 T CA 0.528 62.627 62.100 -0.002 0.000 0.964 181 T CB 0.363 69.230 68.868 -0.003 0.000 1.005 181 T HN 2.004 nan 8.240 nan 0.000 0.532 182 G N 1.995 110.794 108.800 -0.001 0.000 2.314 182 G HA2 0.306 4.266 3.960 -0.000 0.000 0.286 182 G HA3 0.306 4.266 3.960 -0.000 0.000 0.286 182 G C -0.572 174.328 174.900 -0.000 0.000 1.270 182 G CA -0.614 44.486 45.100 -0.000 0.000 1.277 182 G HN 0.615 nan 8.290 nan 0.000 0.635 183 L N -0.045 121.178 121.223 0.000 0.000 0.611 183 L HA -0.183 4.157 4.340 -0.000 0.000 0.356 183 L C 0.473 177.343 176.870 -0.000 0.000 1.007 183 L CA 2.309 57.149 54.840 0.000 0.000 1.222 183 L CB -0.318 41.742 42.059 0.000 0.000 0.016 183 L HN 1.786 nan 8.230 nan 0.000 0.101 184 Q N 1.526 121.326 119.800 -0.000 0.000 2.667 184 Q HA -0.125 4.215 4.340 -0.000 0.000 0.210 184 Q C -0.612 175.388 176.000 -0.001 0.000 1.417 184 Q CA 1.025 56.828 55.803 -0.001 0.000 0.607 184 Q CB -0.578 28.160 28.738 -0.001 0.000 0.739 184 Q HN 0.593 nan 8.270 nan 0.000 0.315 185 D N 3.373 123.773 120.400 -0.001 0.000 2.455 185 D HA 0.035 4.675 4.640 -0.000 0.000 0.241 185 D C 0.310 176.609 176.300 -0.002 0.000 1.138 185 D CA 0.772 54.771 54.000 -0.001 0.000 0.877 185 D CB 0.708 41.508 40.800 -0.001 0.000 1.187 185 D HN 0.307 nan 8.370 nan 0.000 0.451 186 E N 0.311 120.509 120.200 -0.003 0.000 2.221 186 E HA 0.601 4.951 4.350 -0.000 0.000 0.268 186 E C -0.891 175.706 176.600 -0.005 0.000 0.933 186 E CA -0.995 55.402 56.400 -0.004 0.000 0.809 186 E CB 2.277 31.974 29.700 -0.004 0.000 1.190 186 E HN 0.126 nan 8.360 nan 0.000 0.406 187 L N 2.729 123.949 121.223 -0.005 0.000 2.588 187 L HA 0.415 4.755 4.340 -0.000 0.000 0.263 187 L C -2.195 174.671 176.870 -0.007 0.000 0.935 187 L CA -0.259 54.577 54.840 -0.007 0.000 0.891 187 L CB 1.774 43.830 42.059 -0.006 0.000 1.318 187 L HN 0.609 nan 8.230 nan 0.000 0.409 188 D N 3.475 123.870 120.400 -0.008 0.000 2.622 188 D HA 0.446 5.086 4.640 -0.000 0.000 0.255 188 D C -1.344 174.950 176.300 -0.009 0.000 1.246 188 D CA -0.419 53.576 54.000 -0.008 0.000 0.795 188 D CB 2.076 42.872 40.800 -0.007 0.000 1.369 188 D HN 0.309 nan 8.370 nan 0.000 0.425 189 V N 0.230 120.138 119.914 -0.009 0.000 2.427 189 V HA 0.598 4.718 4.120 -0.000 0.000 0.286 189 V C 0.338 176.427 176.094 -0.009 0.000 1.034 189 V CA -0.656 61.639 62.300 -0.009 0.000 0.893 189 V CB 1.304 33.122 31.823 -0.008 0.000 0.982 189 V HN 0.608 nan 8.190 nan 0.000 0.452 190 V N 1.163 121.071 119.914 -0.010 0.000 2.962 190 V HA 0.652 4.772 4.120 -0.000 0.000 0.313 190 V C -0.346 175.743 176.094 -0.007 0.000 1.099 190 V CA -1.015 61.280 62.300 -0.009 0.000 0.971 190 V CB 2.175 33.992 31.823 -0.011 0.000 1.028 190 V HN 0.713 nan 8.190 nan 0.000 0.430 191 E N 2.425 122.622 120.200 -0.005 0.000 2.341 191 E HA 0.472 4.822 4.350 -0.000 0.000 0.256 191 E C 0.350 176.951 176.600 0.001 0.000 1.125 191 E CA 0.835 57.234 56.400 -0.001 0.000 0.939 191 E CB 0.778 30.479 29.700 0.001 0.000 0.991 191 E HN 1.100 nan 8.360 nan 0.000 0.458 192 G N 1.685 110.487 108.800 0.002 0.000 2.911 192 G HA2 0.748 4.708 3.960 -0.000 0.000 0.299 192 G HA3 0.748 4.708 3.960 -0.000 0.000 0.299 192 G C -0.930 173.979 174.900 0.015 0.000 1.283 192 G CA -0.553 44.550 45.100 0.004 0.000 0.805 192 G HN 0.416 nan 8.290 nan 0.000 0.548 193 M N -0.852 118.757 119.600 0.015 0.000 2.790 193 M HA 0.517 4.997 4.480 -0.000 0.000 0.272 193 M C -2.470 173.830 176.300 -0.000 0.000 1.168 193 M CA -0.617 54.706 55.300 0.038 0.000 0.829 193 M CB 2.365 35.024 32.600 0.097 0.000 1.675 193 M HN 0.638 nan 8.290 nan 0.000 0.505 194 Q N 2.779 122.588 119.800 0.014 0.000 2.280 194 Q HA 0.551 4.891 4.340 -0.000 0.000 0.259 194 Q C -2.253 173.746 176.000 -0.001 0.000 0.964 194 Q CA -0.523 55.217 55.803 -0.106 0.000 0.844 194 Q CB 1.882 30.558 28.738 -0.102 0.000 1.334 194 Q HN 0.585 nan 8.270 nan 0.000 0.423 195 F N -0.014 119.928 119.950 -0.012 0.000 2.579 195 F HA 0.544 5.071 4.527 -0.000 0.000 0.324 195 F C 0.109 175.903 175.800 -0.010 0.000 1.058 195 F CA -1.131 56.864 58.000 -0.008 0.000 0.944 195 F CB 0.990 39.988 39.000 -0.003 0.000 1.245 195 F HN 0.290 nan 8.300 nan 0.000 0.477 196 D N 2.479 123.010 120.400 0.219 0.000 2.982 196 D HA 0.085 4.725 4.640 -0.000 0.000 0.238 196 D C -0.162 176.220 176.300 0.137 0.000 1.168 196 D CA 0.357 54.426 54.000 0.115 0.000 0.947 196 D CB -0.055 40.798 40.800 0.088 0.000 1.147 196 D HN 0.246 nan 8.370 nan 0.000 0.450 197 R N -0.038 120.569 120.500 0.179 0.000 2.670 197 R HA 0.594 4.934 4.340 -0.000 0.000 0.289 197 R C 0.369 176.681 176.300 0.021 0.000 0.965 197 R CA -0.717 55.480 56.100 0.162 0.000 0.899 197 R CB 2.178 32.689 30.300 0.351 0.000 1.173 197 R HN 0.098 nan 8.270 nan 0.000 0.456 198 G N 0.872 109.651 108.800 -0.035 0.000 2.667 198 G HA2 0.454 4.414 3.960 -0.000 0.000 0.310 198 G HA3 0.454 4.414 3.960 -0.000 0.000 0.310 198 G C -0.751 174.109 174.900 -0.066 0.000 1.259 198 G CA -0.567 44.426 45.100 -0.178 0.000 1.019 198 G HN 0.433 nan 8.290 nan 0.000 0.496 199 Y N -0.837 119.487 120.300 0.040 0.000 2.652 199 Y HA 0.269 4.819 4.550 0.000 0.000 0.344 199 Y C 1.346 177.312 175.900 0.110 0.000 1.254 199 Y CA -1.027 57.108 58.100 0.059 0.000 1.480 199 Y CB 0.188 38.722 38.460 0.124 0.000 1.345 199 Y HN 0.213 nan 8.280 nan 0.000 0.617 200 L N 1.232 122.703 121.223 0.413 0.000 2.240 200 L HA 0.057 4.397 4.340 -0.000 0.000 0.211 200 L C 0.518 177.599 176.870 0.351 0.000 1.106 200 L CA 1.171 56.215 54.840 0.342 0.000 0.793 200 L CB -0.450 41.779 42.059 0.283 0.000 0.927 200 L HN 0.839 nan 8.230 nan 0.000 0.446 201 S N -3.099 112.832 115.700 0.385 0.000 2.547 201 S HA 0.488 4.958 4.470 -0.000 0.000 0.270 201 S C -2.758 171.685 174.600 -0.263 0.000 1.150 201 S CA -1.203 57.038 58.200 0.070 0.000 0.850 201 S CB 2.061 65.282 63.200 0.036 0.000 1.118 201 S HN -0.286 nan 8.310 nan 0.000 0.461 202 P HA 0.217 nan 4.420 nan 0.000 0.317 202 P C 0.251 177.234 177.300 -0.527 0.000 1.427 202 P CA 0.544 63.156 63.100 -0.813 0.000 0.820 202 P CB -0.153 31.074 31.700 -0.788 0.000 1.894 203 Y N -4.551 115.573 120.300 -0.293 0.000 2.843 203 Y HA -0.314 4.236 4.550 -0.000 0.000 0.492 203 Y C 1.962 177.741 175.900 -0.203 0.000 1.055 203 Y CA 1.474 59.415 58.100 -0.264 0.000 2.997 203 Y CB -3.174 35.074 38.460 -0.354 0.000 0.837 203 Y HN 0.082 nan 8.280 nan 0.000 0.553 204 F N 0.485 120.447 119.950 0.020 0.000 2.236 204 F HA -0.130 4.397 4.527 0.000 0.000 0.302 204 F C 1.506 177.309 175.800 0.004 0.000 1.073 204 F CA 0.998 59.008 58.000 0.016 0.000 1.336 204 F CB -0.765 38.240 39.000 0.009 0.000 1.040 204 F HN -0.006 nan 8.300 nan 0.000 0.507 205 I N 2.478 123.121 120.570 0.122 0.000 2.943 205 I HA -0.226 3.944 4.170 -0.000 0.000 0.296 205 I C 0.772 176.936 176.117 0.079 0.000 1.220 205 I CA 0.542 61.886 61.300 0.073 0.000 1.409 205 I CB -0.116 37.877 38.000 -0.012 0.000 1.374 205 I HN 0.238 nan 8.210 nan 0.000 0.545 206 N N 4.841 123.591 118.700 0.083 0.000 2.184 206 N HA 0.070 4.810 4.740 -0.000 0.000 0.206 206 N C -0.023 175.518 175.510 0.051 0.000 1.151 206 N CA -0.132 52.958 53.050 0.067 0.000 0.878 206 N CB 0.485 39.013 38.487 0.069 0.000 1.014 206 N HN 0.485 nan 8.380 nan 0.000 0.512 207 K N 1.144 121.575 120.400 0.052 0.000 2.842 207 K HA 0.246 4.566 4.320 -0.000 0.000 0.176 207 K C -2.157 174.467 176.600 0.041 0.000 1.080 207 K CA -1.556 54.757 56.287 0.043 0.000 0.954 207 K CB 1.897 34.422 32.500 0.042 0.000 1.203 207 K HN -0.001 nan 8.250 nan 0.000 0.611 208 P HA -0.174 nan 4.420 nan 0.000 0.231 208 P C 0.209 177.523 177.300 0.023 0.000 1.154 208 P CA 1.098 64.214 63.100 0.026 0.000 0.762 208 P CB 0.505 32.218 31.700 0.021 0.000 0.790 209 E N -0.152 120.063 120.200 0.024 0.000 2.021 209 E HA -0.075 4.275 4.350 -0.000 0.000 0.189 209 E C 2.066 178.678 176.600 0.019 0.000 0.980 209 E CA 1.697 58.108 56.400 0.019 0.000 0.803 209 E CB -0.929 28.782 29.700 0.018 0.000 0.766 209 E HN 0.200 nan 8.360 nan 0.000 0.449 210 T N -1.288 113.283 114.554 0.028 0.000 2.942 210 T HA 0.112 4.462 4.350 -0.000 0.000 0.265 210 T C 1.359 176.085 174.700 0.043 0.000 1.062 210 T CA 0.911 63.030 62.100 0.032 0.000 1.139 210 T CB 0.012 68.905 68.868 0.042 0.000 0.883 210 T HN 0.419 nan 8.240 nan 0.000 0.468 211 G N 1.070 109.904 108.800 0.056 0.000 2.130 211 G HA2 0.108 4.068 3.960 -0.000 0.000 0.216 211 G HA3 0.108 4.068 3.960 -0.000 0.000 0.216 211 G C 0.036 175.025 174.900 0.148 0.000 0.999 211 G CA -0.056 45.093 45.100 0.082 0.000 0.686 211 G HN 0.908 nan 8.290 nan 0.000 0.515 212 A N -1.525 121.372 122.820 0.127 0.000 2.486 212 A HA 0.989 5.309 4.320 -0.000 0.000 0.277 212 A C -0.278 177.388 177.584 0.137 0.000 1.282 212 A CA -0.142 51.995 52.037 0.167 0.000 0.784 212 A CB 1.637 20.702 19.000 0.108 0.000 1.350 212 A HN 1.246 nan 8.150 nan 0.000 0.454 213 V N 0.232 120.229 119.914 0.139 0.000 2.769 213 V HA 0.666 4.786 4.120 -0.000 0.000 0.312 213 V C -0.310 175.822 176.094 0.062 0.000 1.058 213 V CA -0.423 61.942 62.300 0.108 0.000 0.952 213 V CB 1.628 33.528 31.823 0.128 0.000 1.019 213 V HN 0.908 nan 8.190 nan 0.000 0.445 214 E N 2.821 123.051 120.200 0.051 0.000 2.274 214 E HA 0.614 4.964 4.350 -0.000 0.000 0.269 214 E C -2.016 174.598 176.600 0.024 0.000 0.891 214 E CA -0.538 55.878 56.400 0.028 0.000 0.784 214 E CB 1.693 31.409 29.700 0.025 0.000 1.225 214 E HN 0.623 nan 8.360 nan 0.000 0.412 215 L N 3.402 124.631 121.223 0.010 0.000 2.381 215 L HA 0.521 4.861 4.340 -0.000 0.000 0.274 215 L C -0.427 176.437 176.870 -0.011 0.000 0.988 215 L CA -0.872 53.972 54.840 0.007 0.000 0.824 215 L CB 1.994 44.057 42.059 0.008 0.000 1.263 215 L HN 0.472 nan 8.230 nan 0.000 0.410 216 E N 1.505 121.696 120.200 -0.015 0.000 2.156 216 E HA 0.303 4.653 4.350 -0.000 0.000 0.279 216 E C -0.154 176.411 176.600 -0.058 0.000 0.965 216 E CA -0.537 55.844 56.400 -0.031 0.000 0.789 216 E CB 1.563 31.250 29.700 -0.021 0.000 1.098 216 E HN 0.636 nan 8.360 nan 0.000 0.397 217 S N 1.713 117.364 115.700 -0.081 0.000 3.614 217 S HA -0.123 4.347 4.470 -0.000 0.000 0.360 217 S C -2.034 172.435 174.600 -0.217 0.000 1.023 217 S CA 0.411 58.527 58.200 -0.140 0.000 1.114 217 S CB -1.335 61.786 63.200 -0.131 0.000 0.907 217 S HN 0.516 nan 8.310 nan 0.000 0.470 218 P HA 0.552 nan 4.420 nan 0.000 0.279 218 P C -0.126 177.044 177.300 -0.218 0.000 1.276 218 P CA -0.607 62.404 63.100 -0.147 0.000 0.801 218 P CB 0.543 32.225 31.700 -0.030 0.000 1.127 219 F N -0.534 119.422 119.950 0.011 0.000 2.432 219 F HA 0.478 5.005 4.527 -0.000 0.000 0.329 219 F C 0.739 176.546 175.800 0.012 0.000 1.076 219 F CA -0.450 57.557 58.000 0.012 0.000 1.018 219 F CB 0.900 39.907 39.000 0.012 0.000 1.201 219 F HN 0.045 nan 8.300 nan 0.000 0.489 220 I N 3.142 123.854 120.570 0.236 0.000 2.569 220 I HA 0.387 4.557 4.170 -0.000 0.000 0.296 220 I C -1.424 174.756 176.117 0.105 0.000 1.028 220 I CA -1.117 60.263 61.300 0.133 0.000 1.082 220 I CB 2.083 40.143 38.000 0.100 0.000 1.264 220 I HN 0.235 nan 8.210 nan 0.000 0.429 221 L N 6.897 128.162 121.223 0.070 0.000 2.280 221 L HA 0.524 4.864 4.340 -0.000 0.000 0.287 221 L C -1.087 175.802 176.870 0.032 0.000 1.023 221 L CA -0.187 54.679 54.840 0.043 0.000 0.819 221 L CB 0.963 43.041 42.059 0.031 0.000 1.212 221 L HN 0.473 nan 8.230 nan 0.000 0.420 222 L N 6.156 127.393 121.223 0.023 0.000 2.301 222 L HA 0.797 5.137 4.340 -0.000 0.000 0.278 222 L C -0.275 176.597 176.870 0.003 0.000 1.022 222 L CA -0.424 54.422 54.840 0.010 0.000 0.854 222 L CB 1.170 43.234 42.059 0.009 0.000 1.226 222 L HN 0.780 nan 8.230 nan 0.000 0.429 223 A N 1.843 124.664 122.820 0.001 0.000 2.381 223 A HA 0.446 4.766 4.320 -0.000 0.000 0.299 223 A C -1.072 176.511 177.584 -0.002 0.000 1.049 223 A CA -0.586 51.452 52.037 0.001 0.000 0.715 223 A CB 1.480 20.483 19.000 0.005 0.000 1.222 223 A HN 0.640 nan 8.150 nan 0.000 0.428 224 D N 2.493 122.890 120.400 -0.004 0.000 2.422 224 D HA 0.489 5.129 4.640 -0.000 0.000 0.227 224 D C -0.054 176.248 176.300 0.003 0.000 1.190 224 D CA 0.403 54.400 54.000 -0.004 0.000 0.905 224 D CB -0.286 40.509 40.800 -0.008 0.000 1.034 224 D HN 0.704 nan 8.370 nan 0.000 0.507 225 K N 0.721 121.126 120.400 0.008 0.000 3.663 225 K HA 0.133 4.453 4.320 -0.000 0.000 0.413 225 K C -1.404 175.207 176.600 0.018 0.000 1.089 225 K CA -1.133 55.162 56.287 0.013 0.000 0.860 225 K CB 0.252 32.759 32.500 0.011 0.000 1.492 225 K HN 0.022 nan 8.250 nan 0.000 0.517 226 K N 0.852 121.265 120.400 0.021 0.000 2.118 226 K HA 0.515 4.835 4.320 -0.000 0.000 0.264 226 K C -0.504 176.111 176.600 0.025 0.000 1.000 226 K CA -0.630 55.672 56.287 0.025 0.000 0.929 226 K CB 0.884 33.400 32.500 0.026 0.000 1.021 226 K HN 0.378 nan 8.250 nan 0.000 0.463 227 I N 1.666 122.254 120.570 0.030 0.000 2.439 227 I HA 0.099 4.269 4.170 -0.000 0.000 0.283 227 I C 0.147 176.285 176.117 0.035 0.000 1.023 227 I CA -0.108 61.211 61.300 0.031 0.000 1.100 227 I CB 1.911 39.931 38.000 0.033 0.000 1.238 227 I HN 0.624 nan 8.210 nan 0.000 0.445 228 S N 2.819 118.537 115.700 0.029 0.000 2.807 228 S HA 0.173 4.643 4.470 -0.000 0.000 0.247 228 S C 0.721 175.337 174.600 0.026 0.000 1.078 228 S CA -0.124 58.094 58.200 0.030 0.000 0.867 228 S CB 0.285 63.500 63.200 0.025 0.000 0.797 228 S HN 0.574 nan 8.310 nan 0.000 0.515 229 N N 2.914 121.627 118.700 0.022 0.000 2.399 229 N HA 0.184 4.924 4.740 -0.000 0.000 0.259 229 N C 0.685 176.206 175.510 0.019 0.000 1.160 229 N CA 0.023 53.084 53.050 0.018 0.000 0.946 229 N CB 0.842 39.337 38.487 0.014 0.000 1.156 229 N HN 0.336 nan 8.380 nan 0.000 0.489 230 I N 3.249 123.831 120.570 0.021 0.000 2.399 230 I HA -0.299 3.871 4.170 -0.000 0.000 0.254 230 I C 1.906 178.033 176.117 0.016 0.000 1.146 230 I CA 1.193 62.506 61.300 0.022 0.000 1.412 230 I CB 0.204 38.218 38.000 0.022 0.000 1.076 230 I HN 0.431 nan 8.210 nan 0.000 0.432 231 R N 0.826 121.333 120.500 0.012 0.000 2.119 231 R HA -0.243 4.097 4.340 -0.000 0.000 0.246 231 R C 1.945 178.250 176.300 0.007 0.000 1.146 231 R CA 2.175 58.280 56.100 0.008 0.000 0.962 231 R CB -0.484 29.820 30.300 0.007 0.000 0.863 231 R HN 0.575 nan 8.270 nan 0.000 0.442 232 E N -0.184 120.021 120.200 0.009 0.000 2.265 232 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 232 E C 1.910 178.513 176.600 0.005 0.000 0.996 232 E CA 0.848 57.252 56.400 0.006 0.000 0.832 232 E CB 0.026 29.731 29.700 0.009 0.000 0.756 232 E HN 0.271 nan 8.360 nan 0.000 0.491 233 M N 0.209 119.814 119.600 0.009 0.000 2.115 233 M HA -0.051 4.429 4.480 -0.000 0.000 0.261 233 M C 2.401 178.702 176.300 0.001 0.000 1.079 233 M CA 1.094 56.398 55.300 0.008 0.000 1.143 233 M CB -1.037 31.574 32.600 0.018 0.000 1.332 233 M HN 0.141 nan 8.290 nan 0.000 0.421 234 L N 0.614 121.839 121.223 0.003 0.000 2.143 234 L HA -0.283 4.057 4.340 -0.000 0.000 0.231 234 L C -0.441 176.423 176.870 -0.010 0.000 1.106 234 L CA 2.068 56.907 54.840 -0.001 0.000 0.827 234 L CB -2.853 39.206 42.059 0.000 0.000 0.915 234 L HN 0.219 nan 8.230 nan 0.000 0.448 235 P HA -0.110 nan 4.420 nan 0.000 0.226 235 P C 1.374 178.655 177.300 -0.032 0.000 1.146 235 P CA 1.369 64.458 63.100 -0.019 0.000 0.773 235 P CB 0.205 31.895 31.700 -0.016 0.000 0.772 236 V N -1.346 118.548 119.914 -0.033 0.000 3.371 236 V HA 0.071 4.191 4.120 -0.000 0.000 0.246 236 V C 2.440 178.504 176.094 -0.050 0.000 1.303 236 V CA 0.234 62.502 62.300 -0.053 0.000 1.156 236 V CB -0.491 31.303 31.823 -0.049 0.000 0.929 236 V HN -0.043 nan 8.190 nan 0.000 0.459 237 L N 0.269 121.478 121.223 -0.023 0.000 2.456 237 L HA -0.064 4.276 4.340 -0.000 0.000 0.224 237 L C 2.222 179.087 176.870 -0.010 0.000 1.148 237 L CA 1.458 56.293 54.840 -0.008 0.000 0.825 237 L CB -0.176 41.889 42.059 0.010 0.000 0.937 237 L HN 0.466 nan 8.230 nan 0.000 0.450 238 E N -0.461 119.727 120.200 -0.020 0.000 2.251 238 E HA 0.039 4.389 4.350 -0.000 0.000 0.194 238 E C 2.125 178.706 176.600 -0.031 0.000 0.964 238 E CA 0.619 57.009 56.400 -0.017 0.000 0.868 238 E CB 0.146 29.838 29.700 -0.013 0.000 0.828 238 E HN 0.388 nan 8.360 nan 0.000 0.481 239 A N 0.959 123.745 122.820 -0.057 0.000 2.168 239 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 239 A C 1.984 179.494 177.584 -0.123 0.000 1.152 239 A CA 0.649 52.635 52.037 -0.085 0.000 0.716 239 A CB 0.093 19.027 19.000 -0.109 0.000 0.794 239 A HN 0.077 nan 8.150 nan 0.000 0.465 240 V N -1.264 118.589 119.914 -0.102 0.000 3.621 240 V HA 0.141 4.261 4.120 -0.000 0.000 0.285 240 V C 2.320 178.425 176.094 0.018 0.000 1.346 240 V CA 0.835 63.086 62.300 -0.083 0.000 1.104 240 V CB 0.037 31.815 31.823 -0.075 0.000 0.913 240 V HN 0.532 nan 8.190 nan 0.000 0.432 241 A N -0.282 122.544 122.820 0.010 0.000 1.975 241 A HA 0.083 4.403 4.320 -0.000 0.000 0.215 241 A C 1.439 179.045 177.584 0.037 0.000 1.170 241 A CA 0.707 52.761 52.037 0.029 0.000 0.656 241 A CB 0.024 19.034 19.000 0.017 0.000 0.821 241 A HN 0.452 nan 8.150 nan 0.000 0.449 242 K N -2.130 118.285 120.400 0.025 0.000 2.118 242 K HA 0.432 4.752 4.320 -0.000 0.000 0.240 242 K C 1.064 177.707 176.600 0.072 0.000 1.035 242 K CA 0.307 56.614 56.287 0.034 0.000 0.899 242 K CB 0.332 32.841 32.500 0.015 0.000 1.085 242 K HN 0.600 nan 8.250 nan 0.000 0.498 243 A N 0.323 123.192 122.820 0.081 0.000 4.029 243 A HA -0.240 4.080 4.320 -0.000 0.000 0.268 243 A C 1.206 178.865 177.584 0.124 0.000 0.943 243 A CA 1.801 53.914 52.037 0.127 0.000 1.137 243 A CB -2.441 16.697 19.000 0.229 0.000 1.074 243 A HN 1.393 nan 8.150 nan 0.000 0.854 244 G N -1.232 107.631 108.800 0.104 0.000 2.321 244 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.287 244 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.287 244 G C -0.016 174.940 174.900 0.094 0.000 1.018 244 G CA 1.523 46.674 45.100 0.085 0.000 0.855 244 G HN 1.170 nan 8.290 nan 0.000 0.507 245 K N 0.734 121.228 120.400 0.157 0.000 2.164 245 K HA 0.518 4.838 4.320 -0.000 0.000 0.258 245 K C -2.001 174.703 176.600 0.173 0.000 0.951 245 K CA -1.996 54.366 56.287 0.125 0.000 0.844 245 K CB 2.345 34.870 32.500 0.042 0.000 1.099 245 K HN 0.068 nan 8.250 nan 0.000 0.435 246 P HA 0.114 nan 4.420 nan 0.000 0.274 246 P C -1.118 176.275 177.300 0.155 0.000 1.260 246 P CA -0.518 62.648 63.100 0.110 0.000 0.793 246 P CB 0.640 32.380 31.700 0.067 0.000 1.048 247 L N 0.259 121.557 121.223 0.124 0.000 2.401 247 L HA 0.564 4.904 4.340 -0.000 0.000 0.266 247 L C -1.416 175.494 176.870 0.065 0.000 0.991 247 L CA -1.041 53.877 54.840 0.131 0.000 0.818 247 L CB 1.689 43.820 42.059 0.119 0.000 1.321 247 L HN 0.177 nan 8.230 nan 0.000 0.413 248 L N 5.107 126.369 121.223 0.065 0.000 2.329 248 L HA 0.667 5.007 4.340 -0.000 0.000 0.279 248 L C -1.223 175.663 176.870 0.028 0.000 1.014 248 L CA -0.230 54.623 54.840 0.022 0.000 0.814 248 L CB 1.450 43.529 42.059 0.033 0.000 1.257 248 L HN 0.430 nan 8.230 nan 0.000 0.424 249 I N 6.781 127.348 120.570 -0.005 0.000 2.362 249 I HA 0.383 4.553 4.170 -0.000 0.000 0.289 249 I C -0.408 175.723 176.117 0.024 0.000 0.994 249 I CA -0.289 61.018 61.300 0.012 0.000 1.158 249 I CB 1.250 39.253 38.000 0.004 0.000 1.315 249 I HN 0.533 nan 8.210 nan 0.000 0.451 250 I N 5.724 126.313 120.570 0.032 0.000 2.439 250 I HA 0.679 4.849 4.170 -0.000 0.000 0.283 250 I C -0.028 176.093 176.117 0.007 0.000 1.023 250 I CA -0.238 61.079 61.300 0.028 0.000 1.100 250 I CB 1.773 39.790 38.000 0.028 0.000 1.238 250 I HN 0.708 nan 8.210 nan 0.000 0.445 251 A N 4.330 127.155 122.820 0.008 0.000 2.588 251 A HA 0.426 4.746 4.320 -0.000 0.000 0.290 251 A C 0.618 178.207 177.584 0.009 0.000 1.136 251 A CA -0.538 51.503 52.037 0.006 0.000 0.681 251 A CB 1.391 20.401 19.000 0.016 0.000 1.282 251 A HN 0.708 nan 8.150 nan 0.000 0.421 252 E N -0.589 119.618 120.200 0.011 0.000 2.147 252 E HA -0.146 4.204 4.350 -0.000 0.000 0.199 252 E C 0.110 176.728 176.600 0.030 0.000 1.005 252 E CA 2.108 58.520 56.400 0.020 0.000 0.810 252 E CB 0.073 29.787 29.700 0.023 0.000 0.736 252 E HN 0.636 nan 8.360 nan 0.000 0.460 253 D N -3.089 117.331 120.400 0.033 0.000 2.940 253 D HA 0.113 4.753 4.640 -0.000 0.000 0.304 253 D C -2.079 174.250 176.300 0.048 0.000 1.255 253 D CA -0.376 53.650 54.000 0.044 0.000 0.734 253 D CB 1.025 41.851 40.800 0.044 0.000 1.261 253 D HN -0.135 nan 8.370 nan 0.000 0.436 254 V N 1.528 121.479 119.914 0.061 0.000 2.567 254 V HA 0.424 4.544 4.120 -0.000 0.000 0.298 254 V C -0.550 175.587 176.094 0.071 0.000 1.047 254 V CA -0.684 61.657 62.300 0.067 0.000 0.880 254 V CB 1.591 33.466 31.823 0.085 0.000 1.009 254 V HN 0.443 nan 8.190 nan 0.000 0.429 255 E N 2.402 122.636 120.200 0.057 0.000 2.250 255 E HA 0.463 4.813 4.350 -0.000 0.000 0.269 255 E C 1.421 178.051 176.600 0.050 0.000 1.018 255 E CA -0.135 56.296 56.400 0.052 0.000 0.873 255 E CB 1.633 31.357 29.700 0.040 0.000 1.134 255 E HN 0.775 nan 8.360 nan 0.000 0.403 256 G N 1.652 110.479 108.800 0.046 0.000 3.437 256 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.238 256 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.238 256 G C 1.219 176.140 174.900 0.035 0.000 1.054 256 G CA 1.665 46.788 45.100 0.040 0.000 0.704 256 G HN 0.542 nan 8.290 nan 0.000 0.713 257 E N 0.710 120.930 120.200 0.034 0.000 2.002 257 E HA 0.138 4.488 4.350 -0.000 0.000 0.196 257 E C 2.939 179.561 176.600 0.035 0.000 0.974 257 E CA 0.944 57.361 56.400 0.029 0.000 0.853 257 E CB -0.855 28.860 29.700 0.025 0.000 0.808 257 E HN 0.328 nan 8.360 nan 0.000 0.492 258 A N 1.019 123.863 122.820 0.041 0.000 2.234 258 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 258 A C 2.075 179.703 177.584 0.072 0.000 1.167 258 A CA 1.156 53.223 52.037 0.050 0.000 0.698 258 A CB -0.470 18.559 19.000 0.048 0.000 0.779 258 A HN 0.328 nan 8.150 nan 0.000 0.475 259 L N -0.620 120.649 121.223 0.076 0.000 2.062 259 L HA 0.209 4.549 4.340 -0.000 0.000 0.202 259 L C 2.503 179.419 176.870 0.077 0.000 1.079 259 L CA 2.107 57.012 54.840 0.108 0.000 0.755 259 L CB -0.986 41.136 42.059 0.105 0.000 0.913 259 L HN 0.223 nan 8.230 nan 0.000 0.445 260 A N -1.683 121.163 122.820 0.043 0.000 2.225 260 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 260 A C 2.044 179.626 177.584 -0.005 0.000 1.164 260 A CA 1.837 53.879 52.037 0.008 0.000 0.710 260 A CB -1.050 17.953 19.000 0.005 0.000 0.780 260 A HN 0.593 nan 8.150 nan 0.000 0.473 261 T N -0.103 114.463 114.554 0.020 0.000 2.814 261 T HA 0.057 4.407 4.350 -0.000 0.000 0.254 261 T C 1.754 176.470 174.700 0.027 0.000 1.037 261 T CA 1.157 63.267 62.100 0.018 0.000 1.143 261 T CB -0.236 68.650 68.868 0.030 0.000 0.866 261 T HN 0.410 nan 8.240 nan 0.000 0.431 262 L N 1.112 122.376 121.223 0.069 0.000 2.156 262 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 262 L C 2.523 179.428 176.870 0.059 0.000 1.095 262 L CA 0.586 55.495 54.840 0.115 0.000 0.770 262 L CB -0.716 41.478 42.059 0.225 0.000 0.914 262 L HN 0.112 nan 8.230 nan 0.000 0.439 263 V N -0.434 119.455 119.914 -0.041 0.000 2.688 263 V HA -0.209 3.911 4.120 -0.000 0.000 0.256 263 V C 2.131 178.100 176.094 -0.208 0.000 1.084 263 V CA 1.299 63.450 62.300 -0.249 0.000 1.103 263 V CB -0.176 31.520 31.823 -0.212 0.000 0.688 263 V HN 0.268 nan 8.190 nan 0.000 0.480 264 V N -1.025 118.819 119.914 -0.117 0.000 3.048 264 V HA -0.010 4.110 4.120 -0.000 0.000 0.241 264 V C 1.908 177.966 176.094 -0.061 0.000 1.129 264 V CA 1.085 63.318 62.300 -0.112 0.000 1.128 264 V CB -0.459 31.309 31.823 -0.092 0.000 0.849 264 V HN 0.495 nan 8.190 nan 0.000 0.475 265 N N 0.976 119.664 118.700 -0.020 0.000 2.084 265 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 265 N C 1.778 177.298 175.510 0.017 0.000 1.030 265 N CA 1.900 54.953 53.050 0.005 0.000 0.849 265 N CB -0.039 38.464 38.487 0.026 0.000 1.012 265 N HN 0.587 nan 8.380 nan 0.000 0.423 266 T N -1.656 112.922 114.554 0.041 0.000 3.194 266 T HA 0.069 4.419 4.350 -0.000 0.000 0.251 266 T C 1.406 176.122 174.700 0.027 0.000 1.132 266 T CA 0.129 62.267 62.100 0.063 0.000 1.028 266 T CB 0.102 69.056 68.868 0.142 0.000 0.976 266 T HN 0.034 nan 8.240 nan 0.000 0.535 267 M N 0.647 120.234 119.600 -0.023 0.000 2.466 267 M HA 0.390 4.870 4.480 -0.000 0.000 0.265 267 M C 2.154 178.430 176.300 -0.039 0.000 1.122 267 M CA 1.044 56.309 55.300 -0.058 0.000 1.157 267 M CB 0.115 32.636 32.600 -0.131 0.000 1.352 267 M HN 0.061 nan 8.290 nan 0.000 0.464 268 R N -0.546 119.936 120.500 -0.029 0.000 2.297 268 R HA 0.296 4.636 4.340 -0.000 0.000 0.197 268 R C 0.877 177.176 176.300 -0.003 0.000 0.943 268 R CA 0.710 56.799 56.100 -0.019 0.000 1.038 268 R CB 0.099 30.387 30.300 -0.019 0.000 0.957 268 R HN 0.598 nan 8.270 nan 0.000 0.484 269 G N 1.124 109.928 108.800 0.007 0.000 2.148 269 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.203 269 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.203 269 G C 0.115 175.029 174.900 0.023 0.000 0.993 269 G CA -0.535 44.576 45.100 0.018 0.000 0.661 269 G HN 0.207 nan 8.290 nan 0.000 0.518 270 I N 1.911 122.494 120.570 0.022 0.000 2.256 270 I HA 0.387 4.557 4.170 -0.000 0.000 0.294 270 I C 0.818 176.959 176.117 0.039 0.000 1.127 270 I CA -0.791 60.525 61.300 0.025 0.000 1.247 270 I CB 0.651 38.662 38.000 0.017 0.000 1.460 270 I HN 0.097 nan 8.210 nan 0.000 0.511 271 V N 4.698 124.639 119.914 0.046 0.000 3.814 271 V HA -0.241 3.879 4.120 -0.000 0.000 0.480 271 V C 0.187 176.327 176.094 0.076 0.000 0.682 271 V CA 0.431 62.767 62.300 0.060 0.000 1.959 271 V CB -1.511 30.345 31.823 0.056 0.000 2.372 271 V HN 0.759 nan 8.190 nan 0.000 0.501 272 K N 3.961 124.411 120.400 0.083 0.000 2.368 272 K HA 0.694 5.014 4.320 -0.000 0.000 0.282 272 K C -0.165 176.504 176.600 0.114 0.000 1.035 272 K CA -0.121 56.229 56.287 0.105 0.000 0.973 272 K CB 1.337 33.894 32.500 0.094 0.000 0.957 272 K HN 0.528 nan 8.250 nan 0.000 0.474 273 V N 0.608 120.614 119.914 0.154 0.000 3.188 273 V HA 0.867 4.987 4.120 -0.000 0.000 0.305 273 V C -1.164 174.954 176.094 0.040 0.000 1.232 273 V CA -1.058 61.305 62.300 0.104 0.000 1.043 273 V CB 2.251 34.140 31.823 0.109 0.000 1.068 273 V HN 0.823 nan 8.190 nan 0.000 0.439 274 A N 1.269 123.958 122.820 -0.219 0.000 2.594 274 A HA 1.040 5.360 4.320 -0.000 0.000 0.295 274 A C -0.918 176.367 177.584 -0.498 0.000 1.071 274 A CA -0.046 51.505 52.037 -0.809 0.000 0.685 274 A CB 1.958 20.602 19.000 -0.594 0.000 1.285 274 A HN 1.970 nan 8.150 nan 0.000 0.405 275 A N 0.142 122.607 122.820 -0.590 0.000 2.498 275 A HA 0.933 5.253 4.320 -0.000 0.000 0.298 275 A C -0.665 176.870 177.584 -0.082 0.000 1.075 275 A CA -0.091 51.832 52.037 -0.190 0.000 0.714 275 A CB 1.564 20.528 19.000 -0.061 0.000 1.299 275 A HN 2.368 nan 8.150 nan 0.000 0.407 276 V N -1.434 118.491 119.914 0.018 0.000 3.048 276 V HA 0.557 4.677 4.120 -0.000 0.000 0.303 276 V C -0.615 175.533 176.094 0.091 0.000 1.214 276 V CA -1.342 61.008 62.300 0.083 0.000 0.984 276 V CB 1.337 33.238 31.823 0.130 0.000 1.054 276 V HN 0.909 nan 8.190 nan 0.000 0.430 277 K N 2.191 122.645 120.400 0.090 0.000 2.469 277 K HA 0.511 4.831 4.320 -0.000 0.000 0.274 277 K C 0.799 177.414 176.600 0.025 0.000 0.983 277 K CA 0.514 56.837 56.287 0.060 0.000 0.974 277 K CB 0.785 33.322 32.500 0.062 0.000 0.913 277 K HN 1.148 nan 8.250 nan 0.000 0.493 278 A N 4.314 127.119 122.820 -0.026 0.000 2.364 278 A HA 0.167 4.487 4.320 -0.000 0.000 0.258 278 A C -2.017 175.465 177.584 -0.171 0.000 1.131 278 A CA -0.715 51.244 52.037 -0.129 0.000 0.800 278 A CB -0.509 18.435 19.000 -0.093 0.000 1.086 278 A HN 0.547 nan 8.150 nan 0.000 0.508 279 P HA 0.406 nan 4.420 nan 0.000 0.284 279 P C 0.695 177.959 177.300 -0.060 0.000 1.253 279 P CA 1.097 64.056 63.100 -0.235 0.000 0.800 279 P CB 0.876 32.335 31.700 -0.401 0.000 0.961 280 G N 2.824 111.650 108.800 0.043 0.000 2.581 280 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.291 280 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.291 280 G C -0.509 174.552 174.900 0.268 0.000 1.277 280 G CA 0.746 45.940 45.100 0.157 0.000 0.959 280 G HN 0.773 nan 8.290 nan 0.000 0.554 281 F N -3.447 116.502 119.950 -0.002 0.000 2.831 281 F HA 0.723 5.250 4.527 0.000 0.000 0.318 281 F C 0.918 176.724 175.800 0.010 0.000 1.174 281 F CA 0.393 58.395 58.000 0.003 0.000 0.918 281 F CB 0.709 39.716 39.000 0.013 0.000 1.364 281 F HN 2.450 nan 8.300 nan 0.000 0.475 282 G N 0.984 109.798 108.800 0.022 0.000 2.527 282 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.268 282 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.268 282 G C 0.141 174.985 174.900 -0.093 0.000 1.175 282 G CA 0.493 45.537 45.100 -0.092 0.000 0.962 282 G HN 0.911 nan 8.290 nan 0.000 0.560 283 D N 0.957 121.283 120.400 -0.122 0.000 2.271 283 D HA -0.010 4.630 4.640 -0.000 0.000 0.206 283 D C 2.534 178.776 176.300 -0.098 0.000 0.967 283 D CA 1.169 55.120 54.000 -0.081 0.000 0.867 283 D CB -0.011 40.753 40.800 -0.060 0.000 0.960 283 D HN 0.631 nan 8.370 nan 0.000 0.509 284 R N 1.149 121.560 120.500 -0.149 0.000 2.276 284 R HA 0.063 4.403 4.340 -0.000 0.000 0.203 284 R C 2.095 178.323 176.300 -0.120 0.000 1.017 284 R CA 0.363 56.382 56.100 -0.136 0.000 1.010 284 R CB -0.242 29.956 30.300 -0.170 0.000 0.900 284 R HN 0.004 nan 8.270 nan 0.000 0.469 285 R N 2.109 122.540 120.500 -0.115 0.000 2.066 285 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 285 R C 1.232 177.491 176.300 -0.069 0.000 1.131 285 R CA 1.541 57.595 56.100 -0.078 0.000 0.955 285 R CB -0.048 30.233 30.300 -0.031 0.000 0.851 285 R HN 0.227 nan 8.270 nan 0.000 0.432 286 K N -0.106 120.261 120.400 -0.055 0.000 2.442 286 K HA -0.018 4.302 4.320 -0.000 0.000 0.198 286 K C 1.702 178.273 176.600 -0.048 0.000 1.042 286 K CA 0.904 57.164 56.287 -0.044 0.000 0.958 286 K CB 0.180 32.660 32.500 -0.032 0.000 0.766 286 K HN 0.270 nan 8.250 nan 0.000 0.474 287 A N 0.930 123.715 122.820 -0.059 0.000 1.909 287 A HA 0.059 4.379 4.320 -0.000 0.000 0.209 287 A C 2.046 179.593 177.584 -0.062 0.000 1.247 287 A CA 0.268 52.272 52.037 -0.055 0.000 0.660 287 A CB -0.220 18.745 19.000 -0.057 0.000 0.910 287 A HN 0.048 nan 8.150 nan 0.000 0.465 288 M N -0.359 119.194 119.600 -0.078 0.000 2.082 288 M HA -0.183 4.297 4.480 -0.000 0.000 0.258 288 M C 2.249 178.490 176.300 -0.100 0.000 1.069 288 M CA 1.842 57.088 55.300 -0.089 0.000 1.102 288 M CB -0.493 32.040 32.600 -0.113 0.000 1.336 288 M HN 0.534 nan 8.290 nan 0.000 0.404 289 L N 0.186 121.343 121.223 -0.109 0.000 2.127 289 L HA -0.279 4.061 4.340 -0.000 0.000 0.211 289 L C 2.486 179.318 176.870 -0.063 0.000 1.089 289 L CA 1.553 56.330 54.840 -0.106 0.000 0.757 289 L CB -0.258 41.747 42.059 -0.090 0.000 0.899 289 L HN 0.315 nan 8.230 nan 0.000 0.434 290 Q N 0.044 119.814 119.800 -0.049 0.000 2.167 290 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 290 Q C 1.662 177.648 176.000 -0.023 0.000 0.970 290 Q CA 1.981 57.765 55.803 -0.031 0.000 0.855 290 Q CB -0.172 28.549 28.738 -0.027 0.000 0.911 290 Q HN 0.542 nan 8.270 nan 0.000 0.438 291 D N 0.186 120.569 120.400 -0.029 0.000 2.084 291 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 291 D C 1.900 178.198 176.300 -0.003 0.000 0.990 291 D CA 1.434 55.425 54.000 -0.015 0.000 0.826 291 D CB -0.298 40.492 40.800 -0.017 0.000 0.971 291 D HN 0.356 nan 8.370 nan 0.000 0.453 292 I N 1.357 121.922 120.570 -0.008 0.000 2.236 292 I HA -0.325 3.845 4.170 -0.000 0.000 0.249 292 I C 2.444 178.573 176.117 0.020 0.000 1.102 292 I CA 1.098 62.408 61.300 0.017 0.000 1.365 292 I CB -0.217 37.783 38.000 -0.000 0.000 1.051 292 I HN -0.055 nan 8.210 nan 0.000 0.420 293 A N 0.428 123.252 122.820 0.007 0.000 1.855 293 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 293 A C 2.378 179.971 177.584 0.016 0.000 1.191 293 A CA 2.352 54.396 52.037 0.013 0.000 0.613 293 A CB -1.106 17.896 19.000 0.004 0.000 0.829 293 A HN 0.368 nan 8.150 nan 0.000 0.442 294 T N 0.731 115.291 114.554 0.009 0.000 2.720 294 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 294 T C 1.829 176.537 174.700 0.013 0.000 1.037 294 T CA 1.299 63.404 62.100 0.009 0.000 1.144 294 T CB -0.360 68.510 68.868 0.004 0.000 0.864 294 T HN 0.295 nan 8.240 nan 0.000 0.444 295 L N 2.152 123.385 121.223 0.016 0.000 2.131 295 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 295 L C 1.835 178.719 176.870 0.024 0.000 1.092 295 L CA 2.171 57.024 54.840 0.021 0.000 0.759 295 L CB -1.233 40.843 42.059 0.029 0.000 0.903 295 L HN 0.463 nan 8.230 nan 0.000 0.435 296 T N -3.820 110.752 114.554 0.029 0.000 3.266 296 T HA 0.367 4.717 4.350 -0.000 0.000 0.278 296 T C 1.027 175.749 174.700 0.037 0.000 1.010 296 T CA 0.128 62.247 62.100 0.033 0.000 0.909 296 T CB -0.307 68.588 68.868 0.044 0.000 1.122 296 T HN 0.515 nan 8.240 nan 0.000 0.536 297 G N 0.206 109.024 108.800 0.030 0.000 2.386 297 G HA2 0.140 4.100 3.960 -0.000 0.000 0.295 297 G HA3 0.140 4.100 3.960 -0.000 0.000 0.295 297 G C 0.381 175.306 174.900 0.042 0.000 0.979 297 G CA 0.006 45.125 45.100 0.032 0.000 1.193 297 G HN 1.141 nan 8.290 nan 0.000 0.508 298 G N -1.530 107.292 108.800 0.037 0.000 3.135 298 G HA2 0.923 4.883 3.960 -0.000 0.000 0.278 298 G HA3 0.923 4.883 3.960 -0.000 0.000 0.278 298 G C -0.660 174.254 174.900 0.023 0.000 1.302 298 G CA 0.297 45.420 45.100 0.038 0.000 0.880 298 G HN 0.835 nan 8.290 nan 0.000 0.574 299 T N -0.444 114.121 114.554 0.019 0.000 2.916 299 T HA 0.521 4.871 4.350 -0.000 0.000 0.305 299 T C -0.621 174.083 174.700 0.005 0.000 1.119 299 T CA -0.366 61.739 62.100 0.009 0.000 1.008 299 T CB 1.963 70.835 68.868 0.006 0.000 1.129 299 T HN 0.422 nan 8.240 nan 0.000 0.480 300 V N 2.869 122.783 119.914 -0.000 0.000 2.583 300 V HA 0.385 4.505 4.120 -0.000 0.000 0.287 300 V C 0.021 176.113 176.094 -0.003 0.000 1.051 300 V CA -0.444 61.854 62.300 -0.004 0.000 1.010 300 V CB 0.681 32.499 31.823 -0.010 0.000 0.988 300 V HN 0.725 nan 8.190 nan 0.000 0.478 301 I N 5.035 125.603 120.570 -0.003 0.000 2.412 301 I HA 0.327 4.497 4.170 -0.000 0.000 0.279 301 I C 0.304 176.419 176.117 -0.002 0.000 1.063 301 I CA 0.065 61.363 61.300 -0.002 0.000 1.193 301 I CB 0.904 38.904 38.000 -0.001 0.000 1.370 301 I HN 0.726 nan 8.210 nan 0.000 0.479 302 S N 2.693 118.391 115.700 -0.003 0.000 2.621 302 S HA 0.454 4.924 4.470 -0.000 0.000 0.302 302 S C 0.453 175.053 174.600 -0.000 0.000 1.093 302 S CA -0.827 57.372 58.200 -0.002 0.000 1.017 302 S CB 2.157 65.355 63.200 -0.004 0.000 1.077 302 S HN 0.552 nan 8.310 nan 0.000 0.517 303 E N 0.342 120.542 120.200 0.001 0.000 2.442 303 E HA -0.016 4.334 4.350 -0.000 0.000 0.195 303 E C 1.067 177.668 176.600 0.001 0.000 1.030 303 E CA 0.316 56.717 56.400 0.002 0.000 0.869 303 E CB -0.024 29.678 29.700 0.004 0.000 0.857 303 E HN 0.747 nan 8.360 nan 0.000 0.505 304 E N 0.452 120.653 120.200 0.001 0.000 2.338 304 E HA -0.092 4.258 4.350 -0.000 0.000 0.197 304 E C 1.416 178.015 176.600 -0.001 0.000 1.007 304 E CA 0.689 57.089 56.400 -0.000 0.000 0.849 304 E CB 0.153 29.852 29.700 -0.001 0.000 0.774 304 E HN 0.341 nan 8.360 nan 0.000 0.506 305 I N -0.926 119.643 120.570 -0.001 0.000 4.154 305 I HA 0.191 4.361 4.170 -0.000 0.000 0.334 305 I C 0.870 176.986 176.117 -0.001 0.000 1.371 305 I CA 0.023 61.322 61.300 -0.002 0.000 1.110 305 I CB 0.999 38.998 38.000 -0.002 0.000 1.085 305 I HN 0.094 nan 8.210 nan 0.000 0.398 306 G N 2.180 110.980 108.800 -0.001 0.000 2.165 306 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.226 306 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.226 306 G C -0.024 174.876 174.900 -0.001 0.000 1.035 306 G CA -0.333 44.767 45.100 -0.000 0.000 0.744 306 G HN 0.239 nan 8.290 nan 0.000 0.501 307 M N 0.255 119.854 119.600 -0.001 0.000 2.300 307 M HA 0.524 5.004 4.480 -0.000 0.000 0.348 307 M C 0.208 176.507 176.300 -0.001 0.000 1.151 307 M CA -0.240 55.059 55.300 -0.002 0.000 1.046 307 M CB 1.504 34.103 32.600 -0.002 0.000 1.647 307 M HN 0.221 nan 8.290 nan 0.000 0.451 308 E N 2.028 122.227 120.200 -0.002 0.000 2.227 308 E HA 0.330 4.680 4.350 -0.000 0.000 0.268 308 E C 0.204 176.802 176.600 -0.003 0.000 0.907 308 E CA -0.561 55.838 56.400 -0.002 0.000 0.786 308 E CB 2.240 31.939 29.700 -0.002 0.000 1.191 308 E HN 0.682 nan 8.360 nan 0.000 0.411 309 L N 1.602 122.824 121.223 -0.002 0.000 2.456 309 L HA -0.141 4.199 4.340 -0.000 0.000 0.224 309 L C 1.433 178.299 176.870 -0.008 0.000 1.148 309 L CA 0.893 55.731 54.840 -0.004 0.000 0.825 309 L CB -0.197 41.862 42.059 0.000 0.000 0.937 309 L HN 0.520 nan 8.230 nan 0.000 0.450 310 E N 0.362 120.558 120.200 -0.006 0.000 2.158 310 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 310 E C 0.638 177.231 176.600 -0.012 0.000 0.982 310 E CA 0.808 57.203 56.400 -0.009 0.000 0.823 310 E CB 0.125 29.821 29.700 -0.005 0.000 0.766 310 E HN 0.260 nan 8.360 nan 0.000 0.468 311 K N 0.714 121.108 120.400 -0.011 0.000 2.765 311 K HA 0.525 4.845 4.320 -0.000 0.000 0.246 311 K C -0.924 175.667 176.600 -0.015 0.000 1.254 311 K CA -0.238 56.042 56.287 -0.012 0.000 1.219 311 K CB 0.973 33.468 32.500 -0.008 0.000 1.747 311 K HN -0.053 nan 8.250 nan 0.000 0.372 312 A N 1.123 123.930 122.820 -0.022 0.000 2.442 312 A HA 0.354 4.674 4.320 -0.000 0.000 0.284 312 A C 0.223 177.781 177.584 -0.044 0.000 1.058 312 A CA -0.757 51.264 52.037 -0.028 0.000 0.738 312 A CB 0.733 19.718 19.000 -0.025 0.000 1.242 312 A HN 0.376 nan 8.150 nan 0.000 0.421 313 T N 0.064 114.591 114.554 -0.046 0.000 3.018 313 T HA 0.476 4.826 4.350 -0.000 0.000 0.338 313 T C 1.076 175.713 174.700 -0.105 0.000 1.208 313 T CA -0.160 61.901 62.100 -0.065 0.000 0.963 313 T CB 0.035 68.875 68.868 -0.046 0.000 1.697 313 T HN 0.380 nan 8.240 nan 0.000 0.560 314 L N -0.017 121.126 121.223 -0.133 0.000 2.567 314 L HA 0.268 4.608 4.340 -0.000 0.000 0.225 314 L C 2.755 179.566 176.870 -0.098 0.000 1.119 314 L CA 0.498 55.200 54.840 -0.230 0.000 0.871 314 L CB -0.359 41.515 42.059 -0.309 0.000 1.036 314 L HN 0.794 nan 8.230 nan 0.000 0.459 315 E N 0.511 120.688 120.200 -0.038 0.000 2.122 315 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 315 E C 0.943 177.553 176.600 0.017 0.000 0.977 315 E CA 0.726 57.132 56.400 0.010 0.000 0.820 315 E CB 0.340 30.044 29.700 0.006 0.000 0.770 315 E HN 0.392 nan 8.360 nan 0.000 0.462 316 D N 0.393 120.791 120.400 -0.003 0.000 2.363 316 D HA -0.003 4.637 4.640 -0.000 0.000 0.226 316 D C -0.218 176.092 176.300 0.016 0.000 1.020 316 D CA 0.309 54.311 54.000 0.004 0.000 0.892 316 D CB 0.240 41.036 40.800 -0.007 0.000 0.900 316 D HN 0.115 nan 8.370 nan 0.000 0.531 317 L N 0.348 121.587 121.223 0.026 0.000 2.343 317 L HA 0.394 4.734 4.340 -0.000 0.000 0.275 317 L C 1.294 178.246 176.870 0.136 0.000 1.056 317 L CA -0.521 54.360 54.840 0.069 0.000 0.804 317 L CB 1.411 43.494 42.059 0.039 0.000 1.203 317 L HN -0.174 nan 8.230 nan 0.000 0.440 318 G N 1.108 109.984 108.800 0.128 0.000 2.599 318 G HA2 0.479 4.439 3.960 -0.000 0.000 0.264 318 G HA3 0.479 4.439 3.960 -0.000 0.000 0.264 318 G C -0.987 174.002 174.900 0.148 0.000 1.200 318 G CA -0.167 45.001 45.100 0.113 0.000 0.896 318 G HN 0.603 nan 8.290 nan 0.000 0.536 319 Q N -1.027 118.818 119.800 0.075 0.000 2.403 319 Q HA 0.549 4.889 4.340 -0.000 0.000 0.267 319 Q C -1.131 174.851 176.000 -0.030 0.000 0.991 319 Q CA -0.720 55.082 55.803 -0.001 0.000 0.906 319 Q CB 1.799 30.515 28.738 -0.035 0.000 1.422 319 Q HN 0.977 nan 8.270 nan 0.000 0.400 320 A N 2.574 125.358 122.820 -0.060 0.000 2.524 320 A HA 0.599 4.919 4.320 -0.000 0.000 0.286 320 A C -0.804 176.738 177.584 -0.071 0.000 1.203 320 A CA -0.645 51.364 52.037 -0.047 0.000 0.736 320 A CB 1.601 20.588 19.000 -0.022 0.000 1.322 320 A HN 0.758 nan 8.150 nan 0.000 0.424 321 K N -0.519 119.850 120.400 -0.052 0.000 2.387 321 K HA 0.306 4.626 4.320 -0.000 0.000 0.198 321 K C -0.009 176.564 176.600 -0.045 0.000 1.022 321 K CA 0.349 56.604 56.287 -0.054 0.000 1.128 321 K CB 0.340 32.815 32.500 -0.041 0.000 0.853 321 K HN 0.515 nan 8.250 nan 0.000 0.523 322 R N -0.043 120.433 120.500 -0.040 0.000 4.584 322 R HA 0.038 4.378 4.340 -0.000 0.000 0.251 322 R C -2.188 174.094 176.300 -0.030 0.000 0.957 322 R CA -0.481 55.599 56.100 -0.032 0.000 1.195 322 R CB 0.750 31.034 30.300 -0.027 0.000 1.233 322 R HN -0.015 nan 8.270 nan 0.000 0.630 323 V N 0.203 120.101 119.914 -0.028 0.000 2.932 323 V HA 0.883 5.003 4.120 -0.000 0.000 0.307 323 V C -1.243 174.831 176.094 -0.033 0.000 1.147 323 V CA -0.722 61.557 62.300 -0.036 0.000 0.951 323 V CB 2.195 33.999 31.823 -0.031 0.000 1.031 323 V HN 0.426 nan 8.190 nan 0.000 0.426 324 V N 4.590 124.473 119.914 -0.052 0.000 2.864 324 V HA 0.702 4.822 4.120 -0.000 0.000 0.314 324 V C -0.364 175.692 176.094 -0.063 0.000 1.073 324 V CA -0.500 61.777 62.300 -0.038 0.000 0.956 324 V CB 1.977 33.779 31.823 -0.034 0.000 1.023 324 V HN 1.082 nan 8.190 nan 0.000 0.435 325 I N 0.190 120.746 120.570 -0.023 0.000 2.563 325 I HA 0.513 4.683 4.170 -0.000 0.000 0.281 325 I C -0.141 175.970 176.117 -0.011 0.000 1.110 325 I CA -0.583 60.693 61.300 -0.040 0.000 1.073 325 I CB 1.218 39.212 38.000 -0.009 0.000 1.215 325 I HN 0.432 nan 8.210 nan 0.000 0.460 326 N N 4.634 123.280 118.700 -0.089 0.000 2.255 326 N HA 0.019 4.759 4.740 -0.000 0.000 0.260 326 N C 1.032 176.279 175.510 -0.438 0.000 1.288 326 N CA -0.090 52.885 53.050 -0.125 0.000 0.894 326 N CB 0.750 39.177 38.487 -0.099 0.000 1.033 326 N HN 0.681 nan 8.380 nan 0.000 0.477 327 K N 0.350 120.482 120.400 -0.447 0.000 2.148 327 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 327 K C -0.324 175.907 176.600 -0.614 0.000 1.050 327 K CA 1.789 57.615 56.287 -0.767 0.000 0.942 327 K CB 0.007 32.361 32.500 -0.243 0.000 0.724 327 K HN 0.609 nan 8.250 nan 0.000 0.446 328 D N -1.128 119.078 120.400 -0.323 0.000 2.822 328 D HA 0.101 4.741 4.640 -0.000 0.000 0.327 328 D C -1.130 175.097 176.300 -0.122 0.000 1.577 328 D CA -0.482 53.407 54.000 -0.185 0.000 0.785 328 D CB 0.855 41.593 40.800 -0.102 0.000 1.199 328 D HN -0.158 nan 8.370 nan 0.000 0.443 329 T N -0.110 114.349 114.554 -0.158 0.000 3.293 329 T HA 0.463 4.813 4.350 -0.000 0.000 0.320 329 T C -0.425 174.150 174.700 -0.208 0.000 0.995 329 T CA -0.454 61.559 62.100 -0.145 0.000 1.041 329 T CB 1.937 70.740 68.868 -0.108 0.000 1.058 329 T HN -0.052 nan 8.240 nan 0.000 0.453 330 T N 1.751 116.096 114.554 -0.348 0.000 2.884 330 T HA 0.816 5.166 4.350 -0.000 0.000 0.277 330 T C -0.050 174.335 174.700 -0.526 0.000 0.976 330 T CA -0.572 61.232 62.100 -0.495 0.000 0.956 330 T CB 1.474 69.825 68.868 -0.861 0.000 1.113 330 T HN 0.715 nan 8.240 nan 0.000 0.554 331 T N 0.877 115.162 114.554 -0.448 0.000 4.349 331 T HA 0.313 4.663 4.350 -0.000 0.000 0.404 331 T C -1.592 173.004 174.700 -0.174 0.000 0.993 331 T CA -0.595 61.328 62.100 -0.295 0.000 1.025 331 T CB -0.183 68.574 68.868 -0.186 0.000 1.219 331 T HN 0.455 nan 8.240 nan 0.000 0.451 332 I N 5.810 126.308 120.570 -0.120 0.000 2.353 332 I HA 0.514 4.684 4.170 -0.000 0.000 0.293 332 I C 0.001 176.100 176.117 -0.031 0.000 0.992 332 I CA -0.941 60.333 61.300 -0.043 0.000 1.268 332 I CB 1.420 39.432 38.000 0.021 0.000 1.387 332 I HN 0.564 nan 8.210 nan 0.000 0.478 333 I N 5.460 126.013 120.570 -0.028 0.000 2.389 333 I HA 0.217 4.387 4.170 -0.000 0.000 0.288 333 I C -0.653 175.453 176.117 -0.019 0.000 0.999 333 I CA -0.529 60.757 61.300 -0.024 0.000 1.129 333 I CB 1.418 39.401 38.000 -0.028 0.000 1.288 333 I HN 0.609 nan 8.210 nan 0.000 0.444 334 D N 4.665 125.057 120.400 -0.014 0.000 4.867 334 D HA -0.117 4.523 4.640 -0.000 0.000 0.238 334 D C -0.214 176.079 176.300 -0.012 0.000 1.114 334 D CA 1.189 55.181 54.000 -0.013 0.000 1.283 334 D CB 0.181 40.971 40.800 -0.017 0.000 0.739 334 D HN 0.814 nan 8.370 nan 0.000 0.371 335 G N 1.653 110.450 108.800 -0.004 0.000 2.454 335 G HA2 0.504 4.464 3.960 -0.000 0.000 0.329 335 G HA3 0.504 4.464 3.960 -0.000 0.000 0.329 335 G C 1.178 176.077 174.900 -0.002 0.000 1.177 335 G CA -0.419 44.681 45.100 -0.001 0.000 0.951 335 G HN 0.457 nan 8.290 nan 0.000 0.485 336 V N 1.222 121.135 119.914 -0.000 0.000 2.720 336 V HA -0.007 4.113 4.120 -0.000 0.000 0.256 336 V C 2.170 178.269 176.094 0.008 0.000 1.082 336 V CA 1.111 63.413 62.300 0.002 0.000 1.101 336 V CB -1.263 30.565 31.823 0.008 0.000 0.693 336 V HN 0.845 nan 8.190 nan 0.000 0.479 337 G N 1.221 110.028 108.800 0.011 0.000 2.187 337 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.239 337 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.239 337 G C -0.067 174.838 174.900 0.007 0.000 1.200 337 G CA -0.094 45.013 45.100 0.011 0.000 0.888 337 G HN 0.581 nan 8.290 nan 0.000 0.482 338 E N 1.862 122.067 120.200 0.007 0.000 2.354 338 E HA 0.064 4.414 4.350 -0.000 0.000 0.269 338 E C 0.666 177.268 176.600 0.004 0.000 1.036 338 E CA -0.224 56.179 56.400 0.005 0.000 0.876 338 E CB 1.333 31.036 29.700 0.006 0.000 1.009 338 E HN 0.654 nan 8.360 nan 0.000 0.416 339 E N 1.377 121.578 120.200 0.002 0.000 2.527 339 E HA -0.164 4.186 4.350 -0.000 0.000 0.204 339 E C 0.961 177.562 176.600 0.001 0.000 1.132 339 E CA 0.217 56.617 56.400 0.001 0.000 0.905 339 E CB -0.008 29.692 29.700 0.000 0.000 0.875 339 E HN 0.501 nan 8.360 nan 0.000 0.548 340 A N 1.180 124.002 122.820 0.002 0.000 1.884 340 A HA 0.234 4.554 4.320 -0.000 0.000 0.212 340 A C 2.289 179.874 177.584 0.001 0.000 1.265 340 A CA 0.735 52.773 52.037 0.001 0.000 0.626 340 A CB -0.404 18.597 19.000 0.002 0.000 0.943 340 A HN 0.280 nan 8.150 nan 0.000 0.466 341 A N -0.489 122.333 122.820 0.002 0.000 2.121 341 A HA 0.112 4.432 4.320 -0.000 0.000 0.218 341 A C 1.950 179.534 177.584 0.001 0.000 1.154 341 A CA 1.158 53.197 52.037 0.002 0.000 0.679 341 A CB -0.557 18.445 19.000 0.003 0.000 0.795 341 A HN 0.493 nan 8.150 nan 0.000 0.458 342 I N -1.640 118.931 120.570 0.002 0.000 2.429 342 I HA -0.133 4.037 4.170 -0.000 0.000 0.247 342 I C 2.539 178.656 176.117 -0.001 0.000 1.099 342 I CA 1.157 62.458 61.300 0.001 0.000 1.422 342 I CB -0.151 37.851 38.000 0.003 0.000 1.112 342 I HN 0.295 nan 8.210 nan 0.000 0.430 343 Q N 1.255 121.055 119.800 -0.001 0.000 2.364 343 Q HA -0.068 4.272 4.340 -0.000 0.000 0.207 343 Q C 1.864 177.862 176.000 -0.003 0.000 0.970 343 Q CA 1.557 57.358 55.803 -0.002 0.000 0.888 343 Q CB -0.290 28.447 28.738 -0.002 0.000 0.951 343 Q HN 0.469 nan 8.270 nan 0.000 0.469 344 G N -0.563 108.236 108.800 -0.002 0.000 2.459 344 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.213 344 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.213 344 G C 1.520 176.417 174.900 -0.005 0.000 1.155 344 G CA 0.398 45.496 45.100 -0.003 0.000 0.811 344 G HN 0.280 nan 8.290 nan 0.000 0.534 345 R N 0.529 121.026 120.500 -0.004 0.000 2.115 345 R HA 0.033 4.373 4.340 -0.000 0.000 0.230 345 R C 2.366 178.661 176.300 -0.008 0.000 1.111 345 R CA 1.232 57.328 56.100 -0.007 0.000 0.976 345 R CB -0.712 29.584 30.300 -0.006 0.000 0.870 345 R HN 0.206 nan 8.270 nan 0.000 0.445 346 V N 0.576 120.485 119.914 -0.007 0.000 2.358 346 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 346 V C 2.324 178.412 176.094 -0.009 0.000 1.047 346 V CA 1.776 64.071 62.300 -0.008 0.000 1.035 346 V CB -0.856 30.963 31.823 -0.006 0.000 0.658 346 V HN 0.510 nan 8.190 nan 0.000 0.452 347 A N -0.717 122.099 122.820 -0.007 0.000 1.933 347 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 347 A C 2.190 179.769 177.584 -0.009 0.000 1.175 347 A CA 1.800 53.832 52.037 -0.007 0.000 0.628 347 A CB -0.423 18.574 19.000 -0.006 0.000 0.814 347 A HN 0.623 nan 8.150 nan 0.000 0.444 348 Q N -0.628 119.167 119.800 -0.009 0.000 2.119 348 Q HA -0.048 4.292 4.340 -0.000 0.000 0.201 348 Q C 1.923 177.915 176.000 -0.013 0.000 0.972 348 Q CA 1.461 57.258 55.803 -0.011 0.000 0.847 348 Q CB -0.243 28.489 28.738 -0.011 0.000 0.903 348 Q HN 0.754 nan 8.270 nan 0.000 0.433 349 I N -0.134 120.427 120.570 -0.015 0.000 2.617 349 I HA -0.156 4.014 4.170 -0.000 0.000 0.256 349 I C 2.373 178.480 176.117 -0.018 0.000 1.167 349 I CA 0.511 61.800 61.300 -0.019 0.000 1.469 349 I CB -0.109 37.878 38.000 -0.021 0.000 1.098 349 I HN 0.072 nan 8.210 nan 0.000 0.436 350 R N 0.890 121.381 120.500 -0.014 0.000 2.152 350 R HA -0.150 4.190 4.340 -0.000 0.000 0.232 350 R C 2.199 178.492 176.300 -0.012 0.000 1.117 350 R CA 1.307 57.399 56.100 -0.013 0.000 0.981 350 R CB 0.024 30.318 30.300 -0.010 0.000 0.870 350 R HN 0.405 nan 8.270 nan 0.000 0.451 351 Q N -0.865 118.928 119.800 -0.012 0.000 2.250 351 Q HA -0.050 4.290 4.340 -0.000 0.000 0.200 351 Q C 1.748 177.741 176.000 -0.012 0.000 0.941 351 Q CA 0.495 56.291 55.803 -0.011 0.000 0.872 351 Q CB 0.397 29.130 28.738 -0.009 0.000 0.965 351 Q HN 0.370 nan 8.270 nan 0.000 0.480 352 Q N 0.405 120.196 119.800 -0.015 0.000 2.248 352 Q HA -0.171 4.169 4.340 -0.000 0.000 0.208 352 Q C 1.916 177.905 176.000 -0.018 0.000 0.984 352 Q CA 1.129 56.921 55.803 -0.018 0.000 0.875 352 Q CB -0.162 28.562 28.738 -0.023 0.000 0.910 352 Q HN 0.507 nan 8.270 nan 0.000 0.433 353 I N 0.716 121.276 120.570 -0.018 0.000 2.617 353 I HA -0.175 3.995 4.170 -0.000 0.000 0.256 353 I C 1.997 178.107 176.117 -0.011 0.000 1.167 353 I CA 0.621 61.911 61.300 -0.017 0.000 1.469 353 I CB -0.193 37.796 38.000 -0.018 0.000 1.098 353 I HN 0.074 nan 8.210 nan 0.000 0.436 354 E N 1.473 121.668 120.200 -0.010 0.000 2.072 354 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 354 E C 1.165 177.761 176.600 -0.005 0.000 0.982 354 E CA 1.014 57.410 56.400 -0.007 0.000 0.803 354 E CB -0.287 29.409 29.700 -0.006 0.000 0.755 354 E HN 0.582 nan 8.360 nan 0.000 0.453 355 E N 1.134 121.331 120.200 -0.006 0.000 2.301 355 E HA 0.253 4.603 4.350 -0.000 0.000 0.195 355 E C -0.244 176.354 176.600 -0.003 0.000 1.171 355 E CA -0.310 56.088 56.400 -0.004 0.000 1.142 355 E CB 0.235 29.932 29.700 -0.005 0.000 1.218 355 E HN 0.075 nan 8.360 nan 0.000 0.448 356 A N 1.242 124.060 122.820 -0.003 0.000 2.409 356 A HA 0.149 4.469 4.320 -0.000 0.000 0.267 356 A C 1.256 178.843 177.584 0.005 0.000 1.127 356 A CA -0.206 51.830 52.037 -0.001 0.000 0.795 356 A CB 0.147 19.145 19.000 -0.003 0.000 1.061 356 A HN 0.281 nan 8.150 nan 0.000 0.502 357 T N -0.894 113.666 114.554 0.010 0.000 3.001 357 T HA 0.361 4.711 4.350 -0.000 0.000 0.251 357 T C 0.652 175.364 174.700 0.021 0.000 1.040 357 T CA 0.591 62.699 62.100 0.013 0.000 0.985 357 T CB -0.046 68.829 68.868 0.012 0.000 1.011 357 T HN 0.774 nan 8.240 nan 0.000 0.509 358 S N -0.767 114.951 115.700 0.029 0.000 2.618 358 S HA 0.414 4.884 4.470 -0.000 0.000 0.277 358 S C -0.390 174.242 174.600 0.053 0.000 1.138 358 S CA -0.581 57.647 58.200 0.046 0.000 0.844 358 S CB 1.698 64.938 63.200 0.067 0.000 1.127 358 S HN 0.061 nan 8.310 nan 0.000 0.474 359 D N 0.601 121.042 120.400 0.068 0.000 2.183 359 D HA -0.026 4.614 4.640 -0.000 0.000 0.203 359 D C 1.205 177.564 176.300 0.097 0.000 0.969 359 D CA 1.123 55.163 54.000 0.067 0.000 0.842 359 D CB -0.126 40.714 40.800 0.066 0.000 0.957 359 D HN 0.579 nan 8.370 nan 0.000 0.484 360 Y N 2.163 122.460 120.300 -0.005 0.000 2.092 360 Y HA -0.193 4.357 4.550 -0.000 0.000 0.282 360 Y C 1.682 177.574 175.900 -0.014 0.000 1.126 360 Y CA 1.750 59.846 58.100 -0.007 0.000 1.111 360 Y CB -0.474 37.982 38.460 -0.007 0.000 0.987 360 Y HN -0.165 nan 8.280 nan 0.000 0.489 361 D N -0.437 120.010 120.400 0.078 0.000 2.220 361 D HA -0.241 4.399 4.640 -0.000 0.000 0.198 361 D C 2.229 178.482 176.300 -0.078 0.000 1.001 361 D CA 1.715 55.701 54.000 -0.023 0.000 0.875 361 D CB -0.200 40.617 40.800 0.027 0.000 0.921 361 D HN 0.291 nan 8.370 nan 0.000 0.454 362 R N 0.386 120.856 120.500 -0.050 0.000 2.064 362 R HA -0.120 4.220 4.340 -0.000 0.000 0.228 362 R C 1.967 178.215 176.300 -0.087 0.000 1.144 362 R CA 1.104 57.173 56.100 -0.051 0.000 0.932 362 R CB 0.071 30.359 30.300 -0.020 0.000 0.833 362 R HN 0.060 nan 8.270 nan 0.000 0.429 363 E N 1.169 121.305 120.200 -0.106 0.000 2.045 363 E HA -0.253 4.097 4.350 -0.000 0.000 0.212 363 E C 1.664 178.167 176.600 -0.163 0.000 1.039 363 E CA 1.421 57.745 56.400 -0.126 0.000 0.860 363 E CB -0.341 29.270 29.700 -0.148 0.000 0.776 363 E HN 0.213 nan 8.360 nan 0.000 0.467 364 K N 0.604 120.839 120.400 -0.275 0.000 2.589 364 K HA -0.065 4.255 4.320 -0.000 0.000 0.195 364 K C 2.039 178.548 176.600 -0.150 0.000 1.042 364 K CA 0.489 56.629 56.287 -0.245 0.000 0.940 364 K CB -0.264 32.016 32.500 -0.367 0.000 0.776 364 K HN 0.270 nan 8.250 nan 0.000 0.487 365 L N -0.650 120.502 121.223 -0.118 0.000 2.425 365 L HA 0.024 4.364 4.340 -0.000 0.000 0.215 365 L C 2.055 178.890 176.870 -0.058 0.000 1.065 365 L CA 0.246 55.039 54.840 -0.078 0.000 0.842 365 L CB -0.074 41.946 42.059 -0.065 0.000 1.033 365 L HN 0.096 nan 8.230 nan 0.000 0.474 366 Q N 0.114 119.880 119.800 -0.057 0.000 2.297 366 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 366 Q C 1.676 177.654 176.000 -0.036 0.000 0.962 366 Q CA 0.996 56.775 55.803 -0.040 0.000 0.879 366 Q CB 0.208 28.925 28.738 -0.035 0.000 0.947 366 Q HN 0.502 nan 8.270 nan 0.000 0.462 367 E N 0.494 120.665 120.200 -0.047 0.000 2.051 367 E HA -0.072 4.278 4.350 -0.000 0.000 0.189 367 E C 2.017 178.601 176.600 -0.027 0.000 0.979 367 E CA 0.280 56.659 56.400 -0.036 0.000 0.803 367 E CB 0.112 29.784 29.700 -0.046 0.000 0.761 367 E HN 0.179 nan 8.360 nan 0.000 0.451 368 R N 0.720 121.197 120.500 -0.038 0.000 2.105 368 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 368 R C 2.567 178.856 176.300 -0.019 0.000 1.135 368 R CA 1.620 57.703 56.100 -0.030 0.000 0.967 368 R CB -0.367 29.907 30.300 -0.043 0.000 0.861 368 R HN 0.204 nan 8.270 nan 0.000 0.442 369 V N -2.437 117.465 119.914 -0.021 0.000 2.302 369 V HA -0.025 4.095 4.120 -0.000 0.000 0.243 369 V C 2.354 178.443 176.094 -0.009 0.000 1.036 369 V CA 1.451 63.742 62.300 -0.015 0.000 1.020 369 V CB -1.257 30.555 31.823 -0.017 0.000 0.657 369 V HN 0.210 nan 8.190 nan 0.000 0.453 370 A N 1.046 123.860 122.820 -0.010 0.000 1.869 370 A HA -0.326 3.994 4.320 -0.000 0.000 0.218 370 A C 2.320 179.903 177.584 -0.001 0.000 1.203 370 A CA 2.946 54.979 52.037 -0.007 0.000 0.638 370 A CB -0.937 18.058 19.000 -0.008 0.000 0.831 370 A HN 0.629 nan 8.150 nan 0.000 0.450 371 K N -1.381 119.022 120.400 0.004 0.000 2.218 371 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 371 K C 1.720 178.330 176.600 0.017 0.000 1.046 371 K CA 1.420 57.717 56.287 0.016 0.000 0.933 371 K CB -0.242 32.278 32.500 0.034 0.000 0.728 371 K HN 0.407 nan 8.250 nan 0.000 0.454 372 L N -0.771 120.458 121.223 0.010 0.000 2.477 372 L HA 0.117 4.457 4.340 -0.000 0.000 0.220 372 L C 1.702 178.574 176.870 0.004 0.000 1.106 372 L CA 0.770 55.616 54.840 0.010 0.000 0.851 372 L CB 0.253 42.315 42.059 0.005 0.000 0.994 372 L HN 0.027 nan 8.230 nan 0.000 0.462 373 A N -1.300 121.521 122.820 0.000 0.000 1.963 373 A HA 0.342 4.662 4.320 -0.000 0.000 0.207 373 A C 1.824 179.406 177.584 -0.003 0.000 1.243 373 A CA 0.516 52.552 52.037 -0.002 0.000 0.728 373 A CB -0.703 18.295 19.000 -0.004 0.000 0.895 373 A HN 0.318 nan 8.150 nan 0.000 0.467 374 G N 0.286 109.084 108.800 -0.003 0.000 3.474 374 G HA2 0.417 4.377 3.960 -0.000 0.000 0.269 374 G HA3 0.417 4.377 3.960 -0.000 0.000 0.269 374 G C 1.049 175.946 174.900 -0.005 0.000 1.339 374 G CA 0.622 45.718 45.100 -0.005 0.000 1.258 374 G HN 0.794 nan 8.290 nan 0.000 0.560 375 G N 0.166 108.964 108.800 -0.003 0.000 3.304 375 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.859 375 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.859 375 G C 0.141 175.036 174.900 -0.009 0.000 0.958 375 G CA 1.072 46.170 45.100 -0.004 0.000 0.765 375 G HN 0.954 nan 8.290 nan 0.000 1.149 376 V N -0.629 119.278 119.914 -0.012 0.000 2.971 376 V HA 0.707 4.827 4.120 -0.000 0.000 0.309 376 V C 0.378 176.461 176.094 -0.018 0.000 1.130 376 V CA -0.384 61.905 62.300 -0.019 0.000 0.964 376 V CB 1.687 33.496 31.823 -0.023 0.000 1.029 376 V HN 1.430 nan 8.190 nan 0.000 0.427 377 A N 2.575 125.382 122.820 -0.022 0.000 2.309 377 A HA 0.806 5.126 4.320 -0.000 0.000 0.298 377 A C -0.708 176.863 177.584 -0.021 0.000 1.165 377 A CA -0.449 51.576 52.037 -0.020 0.000 0.821 377 A CB 1.114 20.101 19.000 -0.022 0.000 1.102 377 A HN 0.792 nan 8.150 nan 0.000 0.500 378 V N 4.518 124.422 119.914 -0.017 0.000 2.409 378 V HA 0.314 4.434 4.120 -0.000 0.000 0.290 378 V C -0.551 175.536 176.094 -0.013 0.000 1.017 378 V CA -0.111 62.179 62.300 -0.016 0.000 0.841 378 V CB 1.255 33.069 31.823 -0.015 0.000 1.003 378 V HN 0.749 nan 8.190 nan 0.000 0.426 379 I N 5.560 126.123 120.570 -0.012 0.000 2.328 379 I HA 0.409 4.579 4.170 -0.000 0.000 0.287 379 I C 0.122 176.236 176.117 -0.006 0.000 1.012 379 I CA -0.536 60.759 61.300 -0.009 0.000 1.195 379 I CB 1.177 39.173 38.000 -0.008 0.000 1.350 379 I HN 0.440 nan 8.210 nan 0.000 0.464 380 K N 6.181 126.578 120.400 -0.005 0.000 2.266 380 K HA 0.369 4.689 4.320 -0.000 0.000 0.274 380 K C -0.293 176.306 176.600 -0.002 0.000 1.090 380 K CA -0.574 55.711 56.287 -0.004 0.000 0.925 380 K CB 1.243 33.740 32.500 -0.004 0.000 1.225 380 K HN 0.344 nan 8.250 nan 0.000 0.458 381 V N 2.446 122.360 119.914 -0.000 0.000 3.083 381 V HA -0.131 3.989 4.120 -0.000 0.000 0.303 381 V C 1.663 177.758 176.094 0.001 0.000 1.151 381 V CA 0.489 62.790 62.300 0.001 0.000 1.275 381 V CB 0.132 31.957 31.823 0.003 0.000 0.950 381 V HN 0.951 nan 8.190 nan 0.000 0.506 382 G N 1.326 110.127 108.800 0.001 0.000 2.393 382 G HA2 0.508 4.468 3.960 -0.000 0.000 0.268 382 G HA3 0.508 4.468 3.960 -0.000 0.000 0.268 382 G C 0.123 175.024 174.900 0.001 0.000 1.472 382 G CA 0.475 45.576 45.100 0.001 0.000 1.059 382 G HN 1.381 nan 8.290 nan 0.000 0.555 383 A N -3.531 119.290 122.820 0.001 0.000 5.519 383 A HA 0.842 5.162 4.320 -0.000 0.000 0.158 383 A C 0.054 177.639 177.584 0.002 0.000 0.860 383 A CA 0.751 52.789 52.037 0.002 0.000 1.134 383 A CB -0.294 18.707 19.000 0.001 0.000 2.248 383 A HN 2.578 nan 8.150 nan 0.000 1.056 384 A N -0.599 122.222 122.820 0.002 0.000 3.033 384 A HA 0.577 4.897 4.320 -0.000 0.000 0.262 384 A C 1.018 178.603 177.584 0.002 0.000 1.301 384 A CA 1.155 53.193 52.037 0.002 0.000 0.727 384 A CB -2.614 16.387 19.000 0.001 0.000 1.094 384 A HN 3.572 nan 8.150 nan 0.000 0.374 385 T N -2.073 112.482 114.554 0.002 0.000 0.541 385 T HA -0.091 4.259 4.350 -0.000 0.000 0.774 385 T C 0.393 175.095 174.700 0.003 0.000 0.992 385 T CA 1.529 63.630 62.100 0.002 0.000 4.077 385 T CB -1.039 67.831 68.868 0.002 0.000 2.303 385 T HN 1.908 nan 8.240 nan 0.000 0.398 386 E N 0.990 121.192 120.200 0.003 0.000 2.058 386 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 386 E C 2.198 178.800 176.600 0.004 0.000 0.997 386 E CA 2.082 58.484 56.400 0.004 0.000 0.801 386 E CB -0.188 29.515 29.700 0.004 0.000 0.746 386 E HN 0.648 nan 8.360 nan 0.000 0.450 387 V N 1.373 121.290 119.914 0.004 0.000 2.332 387 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 387 V C 2.073 178.170 176.094 0.005 0.000 1.055 387 V CA 2.273 64.576 62.300 0.005 0.000 1.038 387 V CB -0.538 31.287 31.823 0.004 0.000 0.651 387 V HN 0.312 nan 8.190 nan 0.000 0.450 388 E N -0.808 119.394 120.200 0.004 0.000 2.158 388 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 388 E C 2.191 178.794 176.600 0.004 0.000 0.982 388 E CA 0.875 57.277 56.400 0.004 0.000 0.823 388 E CB -0.195 29.507 29.700 0.003 0.000 0.766 388 E HN 0.420 nan 8.360 nan 0.000 0.468 389 M N 1.231 120.833 119.600 0.004 0.000 2.086 389 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 389 M C 1.565 177.868 176.300 0.006 0.000 1.067 389 M CA 1.502 56.805 55.300 0.005 0.000 1.116 389 M CB -0.133 32.469 32.600 0.004 0.000 1.348 389 M HN -0.148 nan 8.290 nan 0.000 0.407 390 K N 0.118 120.522 120.400 0.006 0.000 2.439 390 K HA -0.107 4.213 4.320 -0.000 0.000 0.197 390 K C 1.735 178.340 176.600 0.008 0.000 1.041 390 K CA 0.753 57.044 56.287 0.008 0.000 0.970 390 K CB -0.191 32.314 32.500 0.008 0.000 0.773 390 K HN 0.592 nan 8.250 nan 0.000 0.479 391 E N 0.970 121.174 120.200 0.007 0.000 2.140 391 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 391 E C 1.877 178.482 176.600 0.008 0.000 0.973 391 E CA 0.461 56.866 56.400 0.007 0.000 0.829 391 E CB 0.282 29.985 29.700 0.006 0.000 0.781 391 E HN 0.078 nan 8.360 nan 0.000 0.466 392 K N 1.158 121.562 120.400 0.007 0.000 2.062 392 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 392 K C 2.238 178.844 176.600 0.010 0.000 1.051 392 K CA 1.157 57.448 56.287 0.008 0.000 0.941 392 K CB 0.016 32.520 32.500 0.006 0.000 0.719 392 K HN -0.088 nan 8.250 nan 0.000 0.440 393 K N 0.364 120.770 120.400 0.010 0.000 2.059 393 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 393 K C 1.903 178.514 176.600 0.017 0.000 1.050 393 K CA 1.603 57.897 56.287 0.012 0.000 0.927 393 K CB -0.218 32.289 32.500 0.011 0.000 0.714 393 K HN 0.213 nan 8.250 nan 0.000 0.447 394 A N 1.464 124.294 122.820 0.016 0.000 1.845 394 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 394 A C 2.057 179.654 177.584 0.021 0.000 1.195 394 A CA 1.668 53.716 52.037 0.019 0.000 0.616 394 A CB -0.599 18.409 19.000 0.013 0.000 0.832 394 A HN 0.381 nan 8.150 nan 0.000 0.443 395 R N -0.631 119.879 120.500 0.016 0.000 2.211 395 R HA -0.105 4.235 4.340 -0.000 0.000 0.240 395 R C 1.907 178.220 176.300 0.023 0.000 1.144 395 R CA 1.292 57.403 56.100 0.017 0.000 0.992 395 R CB -0.575 29.732 30.300 0.012 0.000 0.869 395 R HN 0.427 nan 8.270 nan 0.000 0.462 396 V N 0.977 120.905 119.914 0.023 0.000 2.283 396 V HA -0.199 3.921 4.120 -0.000 0.000 0.243 396 V C 1.988 178.106 176.094 0.039 0.000 1.039 396 V CA 1.693 64.007 62.300 0.024 0.000 1.016 396 V CB -0.337 31.495 31.823 0.016 0.000 0.650 396 V HN 0.312 nan 8.190 nan 0.000 0.449 397 E N 0.480 120.710 120.200 0.051 0.000 2.049 397 E HA -0.270 4.080 4.350 -0.000 0.000 0.198 397 E C 2.305 178.993 176.600 0.145 0.000 1.007 397 E CA 1.575 58.032 56.400 0.095 0.000 0.809 397 E CB -0.429 29.330 29.700 0.097 0.000 0.749 397 E HN 0.581 nan 8.360 nan 0.000 0.450 398 A N 1.392 124.265 122.820 0.089 0.000 1.908 398 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 398 A C 2.362 180.000 177.584 0.091 0.000 1.181 398 A CA 2.000 54.080 52.037 0.071 0.000 0.627 398 A CB -0.793 18.222 19.000 0.025 0.000 0.818 398 A HN 0.318 nan 8.150 nan 0.000 0.445 399 A N -0.290 122.569 122.820 0.064 0.000 1.832 399 A HA 0.007 4.327 4.320 -0.000 0.000 0.214 399 A C 2.129 179.747 177.584 0.056 0.000 1.200 399 A CA 1.758 53.825 52.037 0.049 0.000 0.610 399 A CB -0.937 18.081 19.000 0.030 0.000 0.842 399 A HN 0.962 nan 8.150 nan 0.000 0.444 400 L N -0.276 120.973 121.223 0.043 0.000 2.010 400 L HA -0.295 4.045 4.340 -0.000 0.000 0.219 400 L C 2.260 179.136 176.870 0.009 0.000 1.077 400 L CA 2.814 57.660 54.840 0.010 0.000 0.773 400 L CB -1.224 40.824 42.059 -0.017 0.000 0.892 400 L HN 0.577 nan 8.230 nan 0.000 0.436 401 H N -0.135 118.935 119.070 -0.001 0.000 2.355 401 H HA -0.209 4.347 4.556 0.000 0.000 0.293 401 H C 2.080 177.410 175.328 0.002 0.000 1.060 401 H CA 2.252 58.300 56.048 -0.000 0.000 1.167 401 H CB -0.667 29.096 29.762 0.001 0.000 1.376 401 H HN 0.526 nan 8.280 nan 0.000 0.549 402 A N 0.030 122.955 122.820 0.176 0.000 1.997 402 A HA -0.240 4.080 4.320 -0.000 0.000 0.221 402 A C 2.681 180.299 177.584 0.057 0.000 1.172 402 A CA 2.430 54.523 52.037 0.093 0.000 0.645 402 A CB -1.066 17.971 19.000 0.062 0.000 0.813 402 A HN 0.538 nan 8.150 nan 0.000 0.454 403 T N -0.947 113.633 114.554 0.044 0.000 2.614 403 T HA -0.143 4.207 4.350 -0.000 0.000 0.263 403 T C 2.162 176.869 174.700 0.012 0.000 1.055 403 T CA 1.325 63.438 62.100 0.021 0.000 1.162 403 T CB -0.272 68.603 68.868 0.011 0.000 0.863 403 T HN 0.369 nan 8.240 nan 0.000 0.414 404 R N 1.263 121.762 120.500 -0.001 0.000 2.159 404 R HA -0.115 4.225 4.340 -0.000 0.000 0.252 404 R C 2.394 178.697 176.300 0.005 0.000 1.144 404 R CA 1.942 58.034 56.100 -0.014 0.000 0.961 404 R CB -1.200 29.071 30.300 -0.049 0.000 0.877 404 R HN 0.454 nan 8.270 nan 0.000 0.444 405 A N -0.536 122.299 122.820 0.025 0.000 2.216 405 A HA 0.080 4.400 4.320 -0.000 0.000 0.214 405 A C 2.064 179.662 177.584 0.023 0.000 1.160 405 A CA 1.472 53.528 52.037 0.032 0.000 0.725 405 A CB -0.239 18.793 19.000 0.053 0.000 0.784 405 A HN 0.420 nan 8.150 nan 0.000 0.472 406 A N -0.904 121.927 122.820 0.019 0.000 1.924 406 A HA 0.227 4.547 4.320 -0.000 0.000 0.211 406 A C 2.023 179.613 177.584 0.010 0.000 1.198 406 A CA 1.009 53.055 52.037 0.015 0.000 0.657 406 A CB -0.590 18.419 19.000 0.015 0.000 0.852 406 A HN 0.277 nan 8.150 nan 0.000 0.454 407 V N 0.691 120.609 119.914 0.007 0.000 2.324 407 V HA -0.323 3.797 4.120 -0.000 0.000 0.250 407 V C 2.399 178.495 176.094 0.003 0.000 1.060 407 V CA 2.506 64.808 62.300 0.003 0.000 1.042 407 V CB -0.871 30.951 31.823 -0.001 0.000 0.650 407 V HN 0.617 nan 8.190 nan 0.000 0.450 408 E N -0.073 120.130 120.200 0.005 0.000 2.006 408 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 408 E C 1.606 178.210 176.600 0.005 0.000 0.993 408 E CA 1.428 57.831 56.400 0.005 0.000 0.808 408 E CB -0.054 29.650 29.700 0.007 0.000 0.764 408 E HN 0.654 nan 8.360 nan 0.000 0.449 409 E N -0.305 119.899 120.200 0.007 0.000 2.651 409 E HA 0.246 4.596 4.350 -0.000 0.000 0.208 409 E C 0.114 176.718 176.600 0.007 0.000 0.997 409 E CA 0.012 56.415 56.400 0.005 0.000 1.020 409 E CB 1.268 30.970 29.700 0.003 0.000 1.052 409 E HN 0.327 nan 8.360 nan 0.000 0.465 410 G N 1.032 109.837 108.800 0.008 0.000 2.642 410 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.231 410 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.231 410 G C -0.264 174.643 174.900 0.011 0.000 1.338 410 G CA -0.349 44.757 45.100 0.009 0.000 0.883 410 G HN 0.629 nan 8.290 nan 0.000 0.570 411 V N -3.207 116.714 119.914 0.012 0.000 3.188 411 V HA 0.983 5.103 4.120 -0.000 0.000 0.305 411 V C -0.177 175.926 176.094 0.015 0.000 1.232 411 V CA 0.408 62.717 62.300 0.014 0.000 1.043 411 V CB 1.453 33.285 31.823 0.015 0.000 1.068 411 V HN 2.652 nan 8.190 nan 0.000 0.439 412 V N 1.771 121.695 119.914 0.017 0.000 3.178 412 V HA 0.891 5.011 4.120 -0.000 0.000 0.302 412 V C 0.454 176.561 176.094 0.022 0.000 1.262 412 V CA -0.251 62.061 62.300 0.019 0.000 1.030 412 V CB 1.842 33.675 31.823 0.017 0.000 1.074 412 V HN 2.703 nan 8.190 nan 0.000 0.438 413 A N 3.596 126.432 122.820 0.027 0.000 2.500 413 A HA 0.405 4.725 4.320 -0.000 0.000 0.286 413 A C 1.074 178.673 177.584 0.025 0.000 1.170 413 A CA 1.111 53.166 52.037 0.030 0.000 0.951 413 A CB -1.347 17.677 19.000 0.039 0.000 0.965 413 A HN 2.099 nan 8.150 nan 0.000 0.551 414 G N 1.465 110.278 108.800 0.022 0.000 2.468 414 G HA2 0.506 4.466 3.960 -0.000 0.000 0.264 414 G HA3 0.506 4.466 3.960 -0.000 0.000 0.264 414 G C 1.267 176.179 174.900 0.019 0.000 1.460 414 G CA -0.053 45.058 45.100 0.019 0.000 1.060 414 G HN 2.209 nan 8.290 nan 0.000 0.543 415 G N -2.157 106.653 108.800 0.017 0.000 2.249 415 G HA2 0.221 4.181 3.960 -0.000 0.000 0.273 415 G HA3 0.221 4.181 3.960 -0.000 0.000 0.273 415 G C 1.514 176.424 174.900 0.016 0.000 1.036 415 G CA 1.202 46.313 45.100 0.019 0.000 0.824 415 G HN 2.475 nan 8.290 nan 0.000 0.504 416 G N -2.830 105.976 108.800 0.010 0.000 2.253 416 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.251 416 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.251 416 G C 1.912 176.815 174.900 0.006 0.000 0.998 416 G CA 1.836 46.938 45.100 0.003 0.000 0.621 416 G HN 2.046 nan 8.290 nan 0.000 0.524 417 V N -0.950 118.972 119.914 0.014 0.000 2.283 417 V HA 0.282 4.402 4.120 -0.000 0.000 0.243 417 V C 3.104 179.211 176.094 0.022 0.000 1.039 417 V CA 2.287 64.599 62.300 0.019 0.000 1.016 417 V CB -1.767 30.072 31.823 0.027 0.000 0.650 417 V HN 1.700 nan 8.190 nan 0.000 0.449 418 A N 1.585 124.418 122.820 0.022 0.000 1.899 418 A HA -0.304 4.016 4.320 -0.000 0.000 0.230 418 A C 2.277 179.871 177.584 0.018 0.000 1.593 418 A CA 3.220 55.270 52.037 0.021 0.000 0.728 418 A CB -1.148 17.862 19.000 0.017 0.000 0.848 418 A HN 0.627 nan 8.150 nan 0.000 0.490 419 L N -0.970 120.261 121.223 0.013 0.000 2.005 419 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 419 L C 2.622 179.499 176.870 0.012 0.000 1.072 419 L CA 1.696 56.542 54.840 0.010 0.000 0.744 419 L CB -0.796 41.267 42.059 0.007 0.000 0.895 419 L HN 0.448 nan 8.230 nan 0.000 0.433 420 I N -0.311 120.266 120.570 0.012 0.000 2.315 420 I HA -0.307 3.863 4.170 -0.000 0.000 0.251 420 I C 2.813 178.943 176.117 0.021 0.000 1.125 420 I CA 0.935 62.243 61.300 0.013 0.000 1.392 420 I CB -0.455 37.552 38.000 0.012 0.000 1.065 420 I HN 0.286 nan 8.210 nan 0.000 0.424 421 R N 1.480 121.996 120.500 0.026 0.000 2.082 421 R HA -0.110 4.230 4.340 -0.000 0.000 0.228 421 R C 2.203 178.518 176.300 0.025 0.000 1.140 421 R CA 1.858 57.978 56.100 0.034 0.000 0.920 421 R CB -1.120 29.203 30.300 0.039 0.000 0.828 421 R HN 0.099 nan 8.270 nan 0.000 0.430 422 V N 1.261 121.187 119.914 0.020 0.000 2.222 422 V HA -0.340 3.780 4.120 -0.000 0.000 0.252 422 V C 2.289 178.390 176.094 0.012 0.000 1.060 422 V CA 2.563 64.871 62.300 0.014 0.000 1.027 422 V CB -1.234 30.595 31.823 0.010 0.000 0.644 422 V HN 0.619 nan 8.190 nan 0.000 0.448 423 A N 0.233 123.060 122.820 0.011 0.000 2.245 423 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 423 A C 2.338 179.928 177.584 0.011 0.000 1.171 423 A CA 2.043 54.085 52.037 0.009 0.000 0.688 423 A CB -0.603 18.402 19.000 0.007 0.000 0.781 423 A HN 0.787 nan 8.150 nan 0.000 0.479 424 S N -0.996 114.713 115.700 0.015 0.000 2.478 424 S HA 0.049 4.519 4.470 -0.000 0.000 0.222 424 S C 1.666 176.274 174.600 0.015 0.000 1.008 424 S CA 0.712 58.922 58.200 0.017 0.000 0.928 424 S CB -0.021 63.194 63.200 0.024 0.000 0.781 424 S HN 0.618 nan 8.310 nan 0.000 0.518 425 K N 1.399 121.808 120.400 0.014 0.000 2.044 425 K HA 0.269 4.589 4.320 -0.000 0.000 0.204 425 K C 1.292 177.897 176.600 0.008 0.000 1.045 425 K CA 0.746 57.040 56.287 0.011 0.000 0.951 425 K CB -0.427 32.080 32.500 0.012 0.000 0.738 425 K HN 0.302 nan 8.250 nan 0.000 0.443 426 L N 1.697 122.924 121.223 0.007 0.000 2.885 426 L HA -0.041 4.299 4.340 -0.000 0.000 0.258 426 L C 1.780 178.652 176.870 0.004 0.000 1.146 426 L CA -0.308 54.535 54.840 0.005 0.000 0.922 426 L CB -0.727 41.334 42.059 0.004 0.000 1.138 426 L HN 0.200 nan 8.230 nan 0.000 0.431 427 A N -0.588 122.235 122.820 0.005 0.000 2.172 427 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 427 A C 1.780 179.366 177.584 0.003 0.000 1.154 427 A CA 1.260 53.300 52.037 0.005 0.000 0.701 427 A CB -0.162 18.842 19.000 0.005 0.000 0.789 427 A HN 0.394 nan 8.150 nan 0.000 0.465 428 D N -1.204 119.198 120.400 0.003 0.000 2.389 428 D HA 0.099 4.739 4.640 -0.000 0.000 0.206 428 D C 0.347 176.648 176.300 0.002 0.000 1.055 428 D CA -0.221 53.780 54.000 0.002 0.000 0.856 428 D CB 0.015 40.816 40.800 0.002 0.000 0.957 428 D HN 0.345 nan 8.370 nan 0.000 0.509 429 L N 2.299 123.523 121.223 0.002 0.000 2.578 429 L HA -0.008 4.332 4.340 -0.000 0.000 0.279 429 L C 0.179 177.050 176.870 0.001 0.000 1.227 429 L CA 0.781 55.622 54.840 0.001 0.000 0.900 429 L CB 0.054 42.113 42.059 0.001 0.000 1.144 429 L HN -0.156 nan 8.230 nan 0.000 0.496 430 R N 3.156 123.657 120.500 0.000 0.000 2.855 430 R HA 0.715 5.055 4.340 -0.000 0.000 0.266 430 R C -0.219 176.081 176.300 -0.000 0.000 1.034 430 R CA -0.327 55.773 56.100 0.000 0.000 0.944 430 R CB 1.474 31.774 30.300 -0.000 0.000 1.219 430 R HN 0.792 nan 8.270 nan 0.000 0.474 431 G N -0.340 108.460 108.800 -0.001 0.000 3.212 431 G HA2 0.217 4.177 3.960 -0.000 0.000 0.188 431 G HA3 0.217 4.177 3.960 -0.000 0.000 0.188 431 G C 0.043 174.943 174.900 -0.001 0.000 1.254 431 G CA -0.172 44.928 45.100 -0.001 0.000 0.957 431 G HN 0.414 nan 8.290 nan 0.000 0.596 432 Q N -0.365 119.434 119.800 -0.001 0.000 2.204 432 Q HA 0.115 4.455 4.340 -0.000 0.000 0.198 432 Q C -0.092 175.907 176.000 -0.002 0.000 0.946 432 Q CA 0.656 56.458 55.803 -0.002 0.000 0.859 432 Q CB 0.156 28.893 28.738 -0.002 0.000 0.946 432 Q HN 0.588 nan 8.270 nan 0.000 0.474 433 N N -1.485 117.214 118.700 -0.002 0.000 2.321 433 N HA 0.397 5.137 4.740 -0.000 0.000 0.290 433 N C -0.029 175.480 175.510 -0.001 0.000 1.212 433 N CA -0.026 53.023 53.050 -0.002 0.000 0.767 433 N CB 0.742 39.228 38.487 -0.002 0.000 1.494 433 N HN -0.071 nan 8.380 nan 0.000 0.479 434 A N 0.455 123.274 122.820 -0.001 0.000 1.915 434 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 434 A C 1.005 178.588 177.584 -0.001 0.000 1.198 434 A CA 2.054 54.091 52.037 -0.001 0.000 0.647 434 A CB -0.983 18.016 19.000 -0.001 0.000 0.825 434 A HN 0.755 nan 8.150 nan 0.000 0.456 435 D N -1.171 119.228 120.400 -0.002 0.000 2.407 435 D HA -0.053 4.587 4.640 -0.000 0.000 0.234 435 D C 1.640 177.939 176.300 -0.001 0.000 1.029 435 D CA 0.953 54.952 54.000 -0.002 0.000 0.937 435 D CB -0.021 40.778 40.800 -0.002 0.000 0.882 435 D HN 0.733 nan 8.370 nan 0.000 0.531 436 Q N -0.977 118.822 119.800 -0.001 0.000 2.404 436 Q HA 0.090 4.430 4.340 -0.000 0.000 0.262 436 Q C 1.399 177.398 176.000 -0.001 0.000 0.846 436 Q CA -0.224 55.579 55.803 -0.001 0.000 0.978 436 Q CB 0.530 29.267 28.738 -0.001 0.000 1.156 436 Q HN 0.023 nan 8.270 nan 0.000 0.548 437 N N 0.196 118.896 118.700 -0.001 0.000 2.166 437 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 437 N C 1.662 177.172 175.510 0.000 0.000 1.019 437 N CA 1.065 54.115 53.050 -0.000 0.000 0.856 437 N CB 0.028 38.515 38.487 -0.000 0.000 0.993 437 N HN 0.048 nan 8.380 nan 0.000 0.426 438 V N 0.623 120.537 119.914 -0.000 0.000 2.548 438 V HA -0.056 4.064 4.120 -0.000 0.000 0.249 438 V C 2.295 178.389 176.094 0.000 0.000 1.055 438 V CA 1.683 63.983 62.300 0.000 0.000 1.065 438 V CB -0.966 30.857 31.823 -0.000 0.000 0.681 438 V HN 0.315 nan 8.190 nan 0.000 0.462 439 G N -0.461 108.339 108.800 0.000 0.000 2.535 439 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.218 439 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.218 439 G C 1.393 176.294 174.900 0.001 0.000 1.122 439 G CA 0.723 45.824 45.100 0.001 0.000 0.769 439 G HN 0.508 nan 8.290 nan 0.000 0.549 440 I N -0.483 120.088 120.570 0.001 0.000 2.594 440 I HA 0.048 4.218 4.170 -0.000 0.000 0.237 440 I C 2.400 178.518 176.117 0.001 0.000 1.071 440 I CA 0.195 61.496 61.300 0.001 0.000 1.427 440 I CB -0.127 37.874 38.000 0.001 0.000 1.218 440 I HN -0.160 nan 8.210 nan 0.000 0.444 441 K N 1.018 121.418 120.400 0.001 0.000 2.163 441 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 441 K C 2.069 178.670 176.600 0.001 0.000 1.048 441 K CA 1.215 57.503 56.287 0.001 0.000 0.928 441 K CB -0.983 31.518 32.500 0.001 0.000 0.716 441 K HN 0.199 nan 8.250 nan 0.000 0.459 442 V N 1.206 121.121 119.914 0.001 0.000 2.295 442 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 442 V C 2.399 178.494 176.094 0.002 0.000 1.049 442 V CA 2.025 64.326 62.300 0.002 0.000 1.024 442 V CB -0.703 31.122 31.823 0.002 0.000 0.648 442 V HN 0.366 nan 8.190 nan 0.000 0.447 443 A N -0.897 121.924 122.820 0.002 0.000 2.067 443 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 443 A C 2.127 179.712 177.584 0.002 0.000 1.158 443 A CA 1.452 53.490 52.037 0.003 0.000 0.661 443 A CB -0.342 18.660 19.000 0.002 0.000 0.801 443 A HN 0.537 nan 8.150 nan 0.000 0.452 444 L N -1.590 119.635 121.223 0.002 0.000 2.062 444 L HA -0.004 4.335 4.340 -0.000 0.000 0.202 444 L C 2.618 179.489 176.870 0.002 0.000 1.079 444 L CA 1.202 56.043 54.840 0.003 0.000 0.755 444 L CB -0.589 41.472 42.059 0.003 0.000 0.913 444 L HN 0.367 nan 8.230 nan 0.000 0.445 445 R N 0.908 121.408 120.500 0.002 0.000 2.276 445 R HA -0.180 4.160 4.340 -0.000 0.000 0.243 445 R C 1.643 177.943 176.300 -0.001 0.000 1.161 445 R CA 1.316 57.416 56.100 0.000 0.000 1.007 445 R CB -0.096 30.204 30.300 0.000 0.000 0.867 445 R HN 0.386 nan 8.270 nan 0.000 0.472 446 A N -0.437 122.384 122.820 0.001 0.000 2.307 446 A HA 0.139 4.459 4.320 -0.000 0.000 0.218 446 A C 1.454 179.038 177.584 0.001 0.000 1.228 446 A CA -0.066 51.972 52.037 0.001 0.000 0.857 446 A CB 0.082 19.084 19.000 0.003 0.000 0.897 446 A HN 0.318 nan 8.150 nan 0.000 0.495 447 M N -1.459 118.142 119.600 0.001 0.000 2.461 447 M HA 0.118 4.598 4.480 -0.000 0.000 0.255 447 M C 1.069 177.369 176.300 -0.001 0.000 1.137 447 M CA 0.421 55.722 55.300 0.002 0.000 1.086 447 M CB 0.160 32.762 32.600 0.003 0.000 1.356 447 M HN 0.330 nan 8.290 nan 0.000 0.487 448 E N 1.128 121.326 120.200 -0.003 0.000 2.511 448 E HA 0.022 4.372 4.350 -0.000 0.000 0.196 448 E C 1.711 178.303 176.600 -0.014 0.000 1.066 448 E CA 0.217 56.613 56.400 -0.008 0.000 0.871 448 E CB 0.128 29.824 29.700 -0.008 0.000 0.863 448 E HN 0.458 nan 8.360 nan 0.000 0.520 449 A N 2.035 124.849 122.820 -0.010 0.000 1.826 449 A HA -0.040 4.280 4.320 -0.000 0.000 0.214 449 A C -0.384 177.190 177.584 -0.016 0.000 1.212 449 A CA 0.634 52.664 52.037 -0.012 0.000 0.605 449 A CB -1.448 17.548 19.000 -0.006 0.000 0.861 449 A HN 0.078 nan 8.150 nan 0.000 0.447 450 P HA -0.217 nan 4.420 nan 0.000 0.219 450 P C 1.657 178.944 177.300 -0.022 0.000 1.158 450 P CA 1.458 64.551 63.100 -0.012 0.000 0.895 450 P CB -0.062 31.636 31.700 -0.004 0.000 0.792 451 L N -0.750 120.456 121.223 -0.028 0.000 1.961 451 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 451 L C 2.402 179.230 176.870 -0.071 0.000 1.075 451 L CA 1.748 56.559 54.840 -0.048 0.000 0.749 451 L CB -0.866 41.164 42.059 -0.049 0.000 0.890 451 L HN -0.291 nan 8.230 nan 0.000 0.433 452 R N -0.981 119.481 120.500 -0.063 0.000 2.228 452 R HA -0.302 4.038 4.340 -0.000 0.000 0.259 452 R C 2.231 178.493 176.300 -0.063 0.000 1.183 452 R CA 1.858 57.918 56.100 -0.067 0.000 1.002 452 R CB -0.315 29.959 30.300 -0.043 0.000 0.879 452 R HN 0.484 nan 8.270 nan 0.000 0.467 453 Q N 0.532 120.302 119.800 -0.049 0.000 2.013 453 Q HA -0.003 4.337 4.340 -0.000 0.000 0.195 453 Q C 1.881 177.853 176.000 -0.047 0.000 0.974 453 Q CA 1.414 57.193 55.803 -0.040 0.000 0.826 453 Q CB -0.047 28.676 28.738 -0.025 0.000 0.895 453 Q HN 0.332 nan 8.270 nan 0.000 0.448 454 I N -0.064 120.478 120.570 -0.046 0.000 2.248 454 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 454 I C 1.955 178.032 176.117 -0.068 0.000 1.107 454 I CA 0.902 62.177 61.300 -0.041 0.000 1.373 454 I CB -0.617 37.367 38.000 -0.026 0.000 1.055 454 I HN 0.014 nan 8.210 nan 0.000 0.418 455 V N 0.958 120.796 119.914 -0.127 0.000 2.867 455 V HA -0.208 3.912 4.120 -0.000 0.000 0.260 455 V C 2.226 178.252 176.094 -0.114 0.000 1.099 455 V CA 1.375 63.556 62.300 -0.198 0.000 1.122 455 V CB -0.389 31.263 31.823 -0.285 0.000 0.708 455 V HN 0.373 nan 8.190 nan 0.000 0.490 456 L N 0.079 121.257 121.223 -0.075 0.000 2.354 456 L HA 0.192 4.532 4.340 -0.000 0.000 0.212 456 L C 1.807 178.658 176.870 -0.031 0.000 1.091 456 L CA 1.302 56.113 54.840 -0.048 0.000 0.828 456 L CB -0.468 41.567 42.059 -0.039 0.000 0.973 456 L HN 0.249 nan 8.230 nan 0.000 0.461 457 N N -1.249 117.435 118.700 -0.028 0.000 2.575 457 N HA -0.053 4.687 4.740 -0.000 0.000 0.192 457 N C 0.684 176.189 175.510 -0.009 0.000 1.200 457 N CA 0.725 53.766 53.050 -0.015 0.000 0.897 457 N CB -0.330 38.150 38.487 -0.012 0.000 0.990 457 N HN 0.383 nan 8.380 nan 0.000 0.449 458 C N -1.638 117.655 119.300 -0.012 0.000 3.525 458 C HA 0.403 4.863 4.460 -0.000 0.000 0.289 458 C C 1.639 176.629 174.990 -0.001 0.000 1.496 458 C CA -0.304 58.715 59.018 0.002 0.000 1.804 458 C CB -0.399 27.352 27.740 0.018 0.000 2.708 458 C HN 0.476 nan 8.230 nan 0.000 0.642 459 G N 1.703 110.497 108.800 -0.010 0.000 2.180 459 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.263 459 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.263 459 G C -0.255 174.640 174.900 -0.009 0.000 0.989 459 G CA 0.493 45.588 45.100 -0.008 0.000 0.692 459 G HN 0.562 nan 8.290 nan 0.000 0.526 460 E N 1.020 121.208 120.200 -0.020 0.000 2.174 460 E HA 0.285 4.635 4.350 -0.000 0.000 0.282 460 E C 0.435 177.006 176.600 -0.048 0.000 0.992 460 E CA -0.531 55.855 56.400 -0.023 0.000 0.803 460 E CB 0.755 30.441 29.700 -0.023 0.000 1.090 460 E HN 0.575 nan 8.360 nan 0.000 0.396 461 E N 4.280 124.464 120.200 -0.027 0.000 2.757 461 E HA -0.094 4.256 4.350 -0.000 0.000 0.238 461 E C -1.563 175.004 176.600 -0.055 0.000 1.057 461 E CA -0.831 55.551 56.400 -0.029 0.000 0.952 461 E CB 0.208 29.902 29.700 -0.009 0.000 0.934 461 E HN 0.208 nan 8.360 nan 0.000 0.518 462 P HA -0.151 nan 4.420 nan 0.000 0.219 462 P C 1.036 178.301 177.300 -0.059 0.000 1.150 462 P CA 0.855 63.901 63.100 -0.090 0.000 0.814 462 P CB 0.301 31.957 31.700 -0.074 0.000 0.787 463 S N -0.361 115.318 115.700 -0.035 0.000 2.393 463 S HA -0.181 4.289 4.470 -0.000 0.000 0.234 463 S C 1.920 176.513 174.600 -0.012 0.000 1.064 463 S CA 1.863 60.052 58.200 -0.019 0.000 1.088 463 S CB -1.608 61.586 63.200 -0.010 0.000 0.939 463 S HN -0.004 nan 8.310 nan 0.000 0.448 464 V N 1.275 121.185 119.914 -0.007 0.000 2.284 464 V HA -0.078 4.042 4.120 -0.000 0.000 0.236 464 V C 2.357 178.468 176.094 0.027 0.000 1.044 464 V CA 1.231 63.541 62.300 0.018 0.000 1.019 464 V CB -1.018 30.828 31.823 0.039 0.000 0.657 464 V HN 0.361 nan 8.190 nan 0.000 0.465 465 V N 0.743 120.659 119.914 0.004 0.000 2.353 465 V HA -0.402 3.718 4.120 -0.000 0.000 0.260 465 V C 2.610 178.707 176.094 0.004 0.000 1.091 465 V CA 2.512 64.804 62.300 -0.013 0.000 1.088 465 V CB -1.352 30.248 31.823 -0.373 0.000 0.672 465 V HN 0.598 nan 8.190 nan 0.000 0.455 466 A N 0.207 123.006 122.820 -0.034 0.000 1.832 466 A HA -0.237 4.083 4.320 -0.000 0.000 0.214 466 A C 2.053 179.645 177.584 0.013 0.000 1.204 466 A CA 1.879 53.905 52.037 -0.018 0.000 0.606 466 A CB -0.897 18.085 19.000 -0.029 0.000 0.849 466 A HN 0.613 nan 8.150 nan 0.000 0.445 467 N N -0.514 118.193 118.700 0.012 0.000 2.096 467 N HA -0.192 4.548 4.740 -0.000 0.000 0.195 467 N C 1.610 177.137 175.510 0.028 0.000 1.017 467 N CA 2.752 55.812 53.050 0.018 0.000 0.870 467 N CB -0.530 37.966 38.487 0.015 0.000 1.024 467 N HN 0.388 nan 8.380 nan 0.000 0.434 468 T N -0.797 113.778 114.554 0.035 0.000 2.777 468 T HA -0.021 4.329 4.350 -0.000 0.000 0.266 468 T C 1.839 176.557 174.700 0.031 0.000 1.040 468 T CA 1.162 63.270 62.100 0.014 0.000 1.141 468 T CB -0.272 68.573 68.868 -0.039 0.000 0.868 468 T HN 0.073 nan 8.240 nan 0.000 0.444 469 V N 1.399 121.338 119.914 0.041 0.000 2.594 469 V HA -0.130 3.990 4.120 -0.000 0.000 0.253 469 V C 2.376 178.518 176.094 0.080 0.000 1.069 469 V CA 1.451 63.759 62.300 0.013 0.000 1.082 469 V CB -0.454 31.379 31.823 0.017 0.000 0.680 469 V HN 0.454 nan 8.190 nan 0.000 0.469 470 K N 0.415 120.852 120.400 0.062 0.000 2.031 470 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 470 K C 1.999 178.641 176.600 0.070 0.000 1.049 470 K CA 1.176 57.498 56.287 0.058 0.000 0.939 470 K CB -0.556 31.964 32.500 0.034 0.000 0.717 470 K HN 0.526 nan 8.250 nan 0.000 0.438 471 G N 0.747 109.586 108.800 0.066 0.000 2.894 471 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.203 471 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.203 471 G C 0.423 175.361 174.900 0.062 0.000 1.173 471 G CA 0.646 45.777 45.100 0.052 0.000 0.854 471 G HN 0.370 nan 8.290 nan 0.000 0.510 472 G N -0.475 108.392 108.800 0.112 0.000 3.291 472 G HA2 0.619 4.579 3.960 -0.000 0.000 0.173 472 G HA3 0.619 4.579 3.960 -0.000 0.000 0.173 472 G C -1.298 173.649 174.900 0.078 0.000 1.099 472 G CA 0.136 45.286 45.100 0.083 0.000 0.794 472 G HN 0.402 nan 8.290 nan 0.000 0.651 473 D N -3.048 117.412 120.400 0.100 0.000 2.808 473 D HA 0.524 5.164 4.640 -0.000 0.000 0.294 473 D C 0.409 176.765 176.300 0.094 0.000 1.278 473 D CA 0.670 54.718 54.000 0.079 0.000 0.756 473 D CB 0.367 41.185 40.800 0.030 0.000 1.271 473 D HN 1.956 nan 8.370 nan 0.000 0.425 474 G N 0.164 109.009 108.800 0.074 0.000 2.553 474 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.242 474 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.242 474 G C -0.171 174.792 174.900 0.104 0.000 1.277 474 G CA 0.055 45.200 45.100 0.074 0.000 0.910 474 G HN 0.792 nan 8.290 nan 0.000 0.576 475 N N -0.000 118.764 118.700 0.107 0.000 2.322 475 N HA 0.182 4.922 4.740 -0.000 0.000 0.216 475 N C 0.056 175.666 175.510 0.165 0.000 1.144 475 N CA -0.171 52.944 53.050 0.108 0.000 0.830 475 N CB 0.172 38.705 38.487 0.077 0.000 1.034 475 N HN 0.484 nan 8.380 nan 0.000 0.484 476 Y N 1.469 121.798 120.300 0.048 0.000 2.537 476 Y HA 0.289 4.839 4.550 -0.000 0.000 0.339 476 Y C 0.580 176.546 175.900 0.109 0.000 1.066 476 Y CA -0.254 57.888 58.100 0.069 0.000 1.357 476 Y CB -0.009 38.479 38.460 0.047 0.000 1.175 476 Y HN -0.026 nan 8.280 nan 0.000 0.525 477 G N 4.622 113.347 108.800 -0.124 0.000 3.247 477 G HA2 0.316 4.276 3.960 -0.000 0.000 0.226 477 G HA3 0.316 4.276 3.960 -0.000 0.000 0.226 477 G C -2.189 172.682 174.900 -0.049 0.000 1.220 477 G CA -0.860 44.170 45.100 -0.117 0.000 0.875 477 G HN 0.595 nan 8.290 nan 0.000 0.606 478 Y N 0.832 121.050 120.300 -0.137 0.000 2.373 478 Y HA 0.549 5.099 4.550 -0.000 0.000 0.336 478 Y C -0.629 175.144 175.900 -0.211 0.000 0.979 478 Y CA -1.203 56.726 58.100 -0.285 0.000 1.080 478 Y CB 1.809 40.045 38.460 -0.372 0.000 1.190 478 Y HN 0.445 nan 8.280 nan 0.000 0.446 479 N N 4.413 122.852 118.700 -0.435 0.000 2.430 479 N HA 0.210 4.950 4.740 -0.000 0.000 0.265 479 N C 0.528 175.864 175.510 -0.290 0.000 1.100 479 N CA 0.773 53.668 53.050 -0.258 0.000 0.961 479 N CB 1.828 40.168 38.487 -0.245 0.000 1.075 479 N HN 0.980 nan 8.380 nan 0.000 0.478 480 A N 4.563 127.407 122.820 0.041 0.000 1.858 480 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 480 A C 2.070 179.667 177.584 0.022 0.000 1.190 480 A CA 2.020 54.153 52.037 0.159 0.000 0.617 480 A CB -1.039 18.024 19.000 0.105 0.000 0.827 480 A HN 0.760 nan 8.150 nan 0.000 0.443 481 A N -0.446 122.356 122.820 -0.030 0.000 1.851 481 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 481 A C 2.493 180.028 177.584 -0.081 0.000 1.195 481 A CA 2.920 54.931 52.037 -0.043 0.000 0.622 481 A CB -1.513 17.465 19.000 -0.036 0.000 0.831 481 A HN 0.888 nan 8.150 nan 0.000 0.444 482 T N -3.534 110.939 114.554 -0.134 0.000 3.023 482 T HA 0.012 4.362 4.350 -0.000 0.000 0.266 482 T C 0.556 175.122 174.700 -0.222 0.000 1.093 482 T CA 1.150 63.158 62.100 -0.154 0.000 1.129 482 T CB -0.395 68.382 68.868 -0.152 0.000 0.899 482 T HN 0.599 nan 8.240 nan 0.000 0.491 483 E N 0.500 120.479 120.200 -0.367 0.000 2.868 483 E HA -0.125 4.225 4.350 -0.000 0.000 0.278 483 E C -0.800 175.442 176.600 -0.597 0.000 1.009 483 E CA 0.747 56.863 56.400 -0.473 0.000 0.856 483 E CB -1.167 28.443 29.700 -0.149 0.000 1.428 483 E HN 0.686 nan 8.360 nan 0.000 0.423 484 E N -0.492 119.309 120.200 -0.664 0.000 2.340 484 E HA 0.400 4.750 4.350 -0.000 0.000 0.273 484 E C -0.242 176.053 176.600 -0.508 0.000 0.891 484 E CA -0.630 55.502 56.400 -0.446 0.000 0.757 484 E CB 0.997 30.592 29.700 -0.176 0.000 1.231 484 E HN -0.019 nan 8.360 nan 0.000 0.439 485 Y N 0.466 120.653 120.300 -0.189 0.000 2.314 485 Y HA 0.581 5.131 4.550 -0.000 0.000 0.359 485 Y C 1.513 177.410 175.900 -0.005 0.000 1.360 485 Y CA 0.805 58.828 58.100 -0.128 0.000 1.697 485 Y CB 0.513 38.938 38.460 -0.058 0.000 1.630 485 Y HN 0.724 nan 8.280 nan 0.000 0.583 486 G N -0.305 108.680 108.800 0.308 0.000 2.302 486 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.276 486 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.276 486 G C -1.645 173.411 174.900 0.260 0.000 1.316 486 G CA -1.019 44.259 45.100 0.298 0.000 0.988 486 G HN 0.634 nan 8.290 nan 0.000 0.479 487 N N 1.262 120.066 118.700 0.174 0.000 2.401 487 N HA 0.157 4.897 4.740 -0.000 0.000 0.255 487 N C 1.883 177.442 175.510 0.080 0.000 1.110 487 N CA -0.448 52.682 53.050 0.133 0.000 0.949 487 N CB 0.610 39.153 38.487 0.093 0.000 1.110 487 N HN 0.438 nan 8.380 nan 0.000 0.490 488 M N 3.371 123.015 119.600 0.073 0.000 2.267 488 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 488 M C 1.456 177.776 176.300 0.034 0.000 1.063 488 M CA 0.944 56.269 55.300 0.042 0.000 1.090 488 M CB -0.416 32.208 32.600 0.040 0.000 1.392 488 M HN 0.545 nan 8.290 nan 0.000 0.422 489 I N 0.134 120.727 120.570 0.040 0.000 2.333 489 I HA -0.203 3.967 4.170 -0.000 0.000 0.246 489 I C 1.882 178.014 176.117 0.025 0.000 1.106 489 I CA 1.201 62.519 61.300 0.030 0.000 1.411 489 I CB -1.269 36.750 38.000 0.031 0.000 1.082 489 I HN 0.213 nan 8.210 nan 0.000 0.420 490 D N 0.861 121.278 120.400 0.030 0.000 2.117 490 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 490 D C 2.190 178.501 176.300 0.017 0.000 0.987 490 D CA 1.089 55.103 54.000 0.023 0.000 0.829 490 D CB -0.144 40.672 40.800 0.028 0.000 0.961 490 D HN 0.281 nan 8.370 nan 0.000 0.460 491 M N -0.301 119.309 119.600 0.018 0.000 2.700 491 M HA 0.037 4.517 4.480 -0.000 0.000 0.249 491 M C 1.081 177.383 176.300 0.002 0.000 1.082 491 M CA 0.811 56.114 55.300 0.006 0.000 1.077 491 M CB -0.081 32.519 32.600 -0.001 0.000 1.477 491 M HN 0.091 nan 8.290 nan 0.000 0.529 492 G N 1.927 110.732 108.800 0.008 0.000 2.160 492 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.251 492 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.251 492 G C 0.033 174.937 174.900 0.006 0.000 1.008 492 G CA -0.170 44.934 45.100 0.007 0.000 0.724 492 G HN 0.538 nan 8.290 nan 0.000 0.514 493 I N 0.882 121.457 120.570 0.008 0.000 2.347 493 I HA 0.572 4.742 4.170 -0.000 0.000 0.283 493 I C 0.151 176.277 176.117 0.015 0.000 1.058 493 I CA -0.824 60.481 61.300 0.009 0.000 1.202 493 I CB 0.584 38.589 38.000 0.007 0.000 1.386 493 I HN 0.260 nan 8.210 nan 0.000 0.475 494 L N 3.759 124.991 121.223 0.015 0.000 2.710 494 L HA 0.706 5.046 4.340 -0.000 0.000 0.260 494 L C -1.710 175.169 176.870 0.016 0.000 0.993 494 L CA -0.805 54.045 54.840 0.017 0.000 0.877 494 L CB 1.780 43.850 42.059 0.018 0.000 1.461 494 L HN 0.111 nan 8.230 nan 0.000 0.413 495 D N -0.238 120.172 120.400 0.017 0.000 2.575 495 D HA 0.523 5.163 4.640 -0.000 0.000 0.236 495 D C -2.818 173.492 176.300 0.018 0.000 1.075 495 D CA -1.274 52.736 54.000 0.017 0.000 0.860 495 D CB 2.206 43.015 40.800 0.016 0.000 1.475 495 D HN 0.351 nan 8.370 nan 0.000 0.474 496 P HA -0.000 nan 4.420 nan 0.000 0.269 496 P C 0.862 178.172 177.300 0.017 0.000 1.211 496 P CA 0.163 63.275 63.100 0.020 0.000 0.781 496 P CB 0.616 32.332 31.700 0.026 0.000 0.877 497 T N 0.917 115.479 114.554 0.013 0.000 2.812 497 T HA -0.134 4.216 4.350 -0.000 0.000 0.264 497 T C 1.641 176.344 174.700 0.006 0.000 1.042 497 T CA 1.046 63.151 62.100 0.009 0.000 1.140 497 T CB -0.372 68.500 68.868 0.006 0.000 0.870 497 T HN 0.476 nan 8.240 nan 0.000 0.445 498 K N 0.941 121.346 120.400 0.008 0.000 2.049 498 K HA -0.230 4.090 4.320 -0.000 0.000 0.219 498 K C 2.387 178.991 176.600 0.007 0.000 1.056 498 K CA 2.235 58.526 56.287 0.006 0.000 0.946 498 K CB -0.642 31.868 32.500 0.017 0.000 0.723 498 K HN 0.311 nan 8.250 nan 0.000 0.453 499 V N -0.237 119.687 119.914 0.018 0.000 2.261 499 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 499 V C 1.776 177.879 176.094 0.015 0.000 1.047 499 V CA 2.568 64.882 62.300 0.023 0.000 1.015 499 V CB -1.069 30.771 31.823 0.028 0.000 0.642 499 V HN 0.431 nan 8.190 nan 0.000 0.446 500 T N 0.114 114.675 114.554 0.011 0.000 2.946 500 T HA -0.158 4.192 4.350 -0.000 0.000 0.271 500 T C 1.792 176.491 174.700 -0.002 0.000 1.104 500 T CA 2.002 64.107 62.100 0.008 0.000 1.114 500 T CB -0.381 68.492 68.868 0.008 0.000 0.867 500 T HN 0.700 nan 8.240 nan 0.000 0.513 501 R N 0.833 121.325 120.500 -0.013 0.000 2.046 501 R HA 0.011 4.351 4.340 -0.000 0.000 0.223 501 R C 2.629 178.891 176.300 -0.062 0.000 1.179 501 R CA 1.249 57.328 56.100 -0.035 0.000 0.952 501 R CB -0.503 29.771 30.300 -0.042 0.000 0.843 501 R HN 0.146 nan 8.270 nan 0.000 0.439 502 S N 0.978 116.633 115.700 -0.075 0.000 2.393 502 S HA -0.316 4.154 4.470 -0.000 0.000 0.235 502 S C 2.062 176.642 174.600 -0.034 0.000 1.061 502 S CA 1.856 59.979 58.200 -0.127 0.000 1.129 502 S CB -0.684 62.511 63.200 -0.008 0.000 1.011 502 S HN 0.617 nan 8.310 nan 0.000 0.436 503 A N 0.755 123.602 122.820 0.044 0.000 1.948 503 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 503 A C 2.140 179.752 177.584 0.046 0.000 1.177 503 A CA 1.836 53.918 52.037 0.075 0.000 0.636 503 A CB -0.670 18.361 19.000 0.051 0.000 0.815 503 A HN 0.440 nan 8.150 nan 0.000 0.449 504 L N -0.517 120.710 121.223 0.006 0.000 2.156 504 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 504 L C 2.378 179.241 176.870 -0.012 0.000 1.095 504 L CA 1.982 56.822 54.840 -0.000 0.000 0.770 504 L CB -0.528 41.524 42.059 -0.011 0.000 0.914 504 L HN 0.512 nan 8.230 nan 0.000 0.439 505 Q N -1.723 118.040 119.800 -0.061 0.000 1.984 505 Q HA -0.160 4.180 4.340 -0.000 0.000 0.196 505 Q C 2.185 178.174 176.000 -0.018 0.000 0.975 505 Q CA 1.606 57.352 55.803 -0.096 0.000 0.827 505 Q CB -0.482 28.119 28.738 -0.227 0.000 0.894 505 Q HN 0.407 nan 8.270 nan 0.000 0.438 506 Y N 1.044 121.345 120.300 0.003 0.000 2.193 506 Y HA -0.259 4.291 4.550 -0.000 0.000 0.285 506 Y C 2.448 178.349 175.900 0.001 0.000 1.166 506 Y CA 0.994 59.095 58.100 0.002 0.000 1.181 506 Y CB -0.975 37.486 38.460 0.002 0.000 0.976 506 Y HN 0.191 nan 8.280 nan 0.000 0.520 507 A N -0.137 122.779 122.820 0.161 0.000 1.902 507 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 507 A C 2.531 180.153 177.584 0.065 0.000 1.181 507 A CA 1.998 54.088 52.037 0.088 0.000 0.623 507 A CB -1.228 17.808 19.000 0.059 0.000 0.818 507 A HN 0.401 nan 8.150 nan 0.000 0.443 508 A N -0.651 122.201 122.820 0.054 0.000 1.858 508 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 508 A C 2.448 180.059 177.584 0.044 0.000 1.190 508 A CA 2.270 54.328 52.037 0.035 0.000 0.617 508 A CB -1.236 17.774 19.000 0.017 0.000 0.827 508 A HN 0.664 nan 8.150 nan 0.000 0.443 509 S N -0.565 115.175 115.700 0.067 0.000 2.427 509 S HA -0.226 4.244 4.470 -0.000 0.000 0.231 509 S C 1.896 176.529 174.600 0.055 0.000 1.045 509 S CA 2.397 60.641 58.200 0.074 0.000 1.154 509 S CB -0.963 62.319 63.200 0.136 0.000 1.093 509 S HN 0.404 nan 8.310 nan 0.000 0.422 510 V N 2.876 122.825 119.914 0.059 0.000 2.220 510 V HA -0.302 3.818 4.120 -0.000 0.000 0.250 510 V C 2.921 179.030 176.094 0.025 0.000 1.053 510 V CA 2.521 64.842 62.300 0.035 0.000 1.019 510 V CB -1.712 30.128 31.823 0.029 0.000 0.646 510 V HN 0.764 nan 8.190 nan 0.000 0.455 511 A N 0.156 122.991 122.820 0.025 0.000 1.954 511 A HA -0.303 4.017 4.320 -0.000 0.000 0.222 511 A C 2.334 179.926 177.584 0.013 0.000 1.199 511 A CA 2.779 54.826 52.037 0.017 0.000 0.657 511 A CB -1.548 17.462 19.000 0.017 0.000 0.823 511 A HN 0.698 nan 8.150 nan 0.000 0.463 512 G N -0.248 108.563 108.800 0.017 0.000 2.552 512 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 512 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 512 G C 1.516 176.422 174.900 0.010 0.000 1.240 512 G CA 1.150 46.258 45.100 0.013 0.000 0.796 512 G HN 0.499 nan 8.290 nan 0.000 0.568 513 L N -0.188 121.042 121.223 0.013 0.000 2.034 513 L HA -0.262 4.078 4.340 -0.000 0.000 0.217 513 L C 3.144 180.016 176.870 0.004 0.000 1.077 513 L CA 1.871 56.716 54.840 0.009 0.000 0.769 513 L CB -0.589 41.477 42.059 0.011 0.000 0.890 513 L HN 0.269 nan 8.230 nan 0.000 0.435 514 M N -0.576 119.026 119.600 0.003 0.000 2.159 514 M HA -0.179 4.301 4.480 -0.000 0.000 0.263 514 M C 2.182 178.480 176.300 -0.003 0.000 1.063 514 M CA 1.709 57.008 55.300 -0.002 0.000 1.110 514 M CB -0.307 32.292 32.600 -0.001 0.000 1.374 514 M HN 0.234 nan 8.290 nan 0.000 0.411 515 I N -0.443 120.127 120.570 -0.000 0.000 2.830 515 I HA -0.126 4.044 4.170 -0.000 0.000 0.263 515 I C 1.256 177.371 176.117 -0.003 0.000 1.230 515 I CA 0.897 62.196 61.300 -0.001 0.000 1.480 515 I CB -0.523 37.477 38.000 0.001 0.000 1.095 515 I HN 0.309 nan 8.210 nan 0.000 0.455 516 T N -2.566 111.987 114.554 -0.002 0.000 3.313 516 T HA 0.289 4.639 4.350 -0.000 0.000 0.263 516 T C 0.189 174.887 174.700 -0.005 0.000 0.983 516 T CA -0.403 61.694 62.100 -0.004 0.000 0.963 516 T CB -0.179 68.688 68.868 -0.002 0.000 1.141 516 T HN -0.110 nan 8.240 nan 0.000 0.526 517 T N 1.427 115.977 114.554 -0.006 0.000 2.841 517 T HA 0.463 4.813 4.350 -0.000 0.000 0.283 517 T C 0.249 174.948 174.700 -0.002 0.000 1.000 517 T CA -0.640 61.457 62.100 -0.005 0.000 0.977 517 T CB 2.146 71.007 68.868 -0.012 0.000 0.979 517 T HN 0.090 nan 8.240 nan 0.000 0.446 518 E N 0.332 120.537 120.200 0.009 0.000 2.541 518 E HA 0.194 4.544 4.350 -0.000 0.000 0.219 518 E C -0.040 176.632 176.600 0.119 0.000 0.922 518 E CA 0.103 56.520 56.400 0.028 0.000 1.095 518 E CB 0.924 30.613 29.700 -0.020 0.000 1.112 518 E HN 0.552 nan 8.360 nan 0.000 0.516 519 C N 0.910 120.279 119.300 0.115 0.000 2.880 519 C HA 0.692 5.152 4.460 -0.000 0.000 0.320 519 C C -1.343 173.672 174.990 0.041 0.000 1.176 519 C CA -0.574 58.580 59.018 0.225 0.000 1.390 519 C CB 0.411 28.361 27.740 0.350 0.000 1.846 519 C HN 0.108 nan 8.230 nan 0.000 0.478 520 M N 5.200 124.749 119.600 -0.085 0.000 2.393 520 M HA 0.566 5.046 4.480 -0.000 0.000 0.299 520 M C -1.212 175.027 176.300 -0.100 0.000 1.103 520 M CA -0.633 54.563 55.300 -0.174 0.000 0.910 520 M CB 2.161 34.480 32.600 -0.469 0.000 1.659 520 M HN 0.361 nan 8.290 nan 0.000 0.445 521 V N 1.645 121.578 119.914 0.031 0.000 2.419 521 V HA 0.513 4.633 4.120 -0.000 0.000 0.287 521 V C -0.387 175.794 176.094 0.147 0.000 1.017 521 V CA -0.317 62.041 62.300 0.096 0.000 0.844 521 V CB 1.767 33.629 31.823 0.066 0.000 1.011 521 V HN 0.972 nan 8.190 nan 0.000 0.429 522 T N 2.399 117.083 114.554 0.217 0.000 2.907 522 T HA 0.487 4.837 4.350 -0.000 0.000 0.290 522 T C -0.502 174.218 174.700 0.032 0.000 1.066 522 T CA -0.469 61.708 62.100 0.128 0.000 1.012 522 T CB 1.778 70.736 68.868 0.149 0.000 1.184 522 T HN 0.633 nan 8.240 nan 0.000 0.522 523 D N 0.941 121.337 120.400 -0.006 0.000 2.354 523 D HA 0.294 4.934 4.640 -0.000 0.000 0.238 523 D C -0.266 175.991 176.300 -0.072 0.000 1.250 523 D CA -0.033 53.949 54.000 -0.029 0.000 0.911 523 D CB 0.259 41.042 40.800 -0.029 0.000 1.163 523 D HN 0.185 nan 8.370 nan 0.000 0.456 524 L N 2.242 123.427 121.223 -0.063 0.000 2.350 524 L HA 0.282 4.622 4.340 -0.000 0.000 0.275 524 L C -1.771 175.046 176.870 -0.089 0.000 1.099 524 L CA -1.912 52.879 54.840 -0.082 0.000 0.808 524 L CB 0.841 42.867 42.059 -0.054 0.000 1.149 524 L HN 0.309 nan 8.230 nan 0.000 0.442 525 P HA -0.071 nan 4.420 nan 0.000 0.314 525 P C -0.834 176.426 177.300 -0.068 0.000 1.521 525 P CA 0.783 63.823 63.100 -0.100 0.000 0.754 525 P CB -0.237 31.394 31.700 -0.114 0.000 1.692 526 K N 0.000 120.366 120.400 -0.056 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.262 56.287 -0.041 0.000 0.838 526 K CB 0.000 32.478 32.500 -0.036 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543