REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1aon_1_M DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.577 177.584 -0.011 0.000 1.274 2 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 2 A CB 0.000 18.988 19.000 -0.019 0.000 0.831 3 A N 3.453 126.267 122.820 -0.009 0.000 2.488 3 A HA 0.581 4.901 4.320 0.001 0.000 0.249 3 A C 0.402 177.981 177.584 -0.010 0.000 1.083 3 A CA 0.108 52.143 52.037 -0.003 0.000 0.768 3 A CB 0.146 19.147 19.000 0.002 0.000 1.017 3 A HN 0.608 nan 8.150 nan 0.000 0.496 4 K N 1.505 121.904 120.400 -0.002 0.000 2.106 4 K HA 0.411 4.732 4.320 0.001 0.000 0.246 4 K C -0.843 175.766 176.600 0.014 0.000 0.987 4 K CA -0.672 55.609 56.287 -0.010 0.000 0.904 4 K CB 1.009 33.507 32.500 -0.004 0.000 1.071 4 K HN 0.724 nan 8.250 nan 0.000 0.453 5 D N 0.623 121.023 120.400 0.000 0.000 2.217 5 D HA 0.363 5.003 4.640 0.001 0.000 0.243 5 D C -1.315 175.126 176.300 0.235 0.000 1.054 5 D CA -0.635 53.414 54.000 0.083 0.000 0.838 5 D CB 1.255 42.051 40.800 -0.006 0.000 1.162 5 D HN 0.051 nan 8.370 nan 0.000 0.472 6 V N 4.335 124.416 119.914 0.279 0.000 2.588 6 V HA 0.455 4.576 4.120 0.001 0.000 0.304 6 V C 0.064 176.278 176.094 0.200 0.000 1.042 6 V CA -0.793 61.650 62.300 0.239 0.000 0.877 6 V CB 1.906 33.807 31.823 0.130 0.000 0.996 6 V HN 0.425 nan 8.190 nan 0.000 0.425 7 K N 3.373 123.748 120.400 -0.041 0.000 2.328 7 K HA 0.781 5.102 4.320 0.001 0.000 0.246 7 K C -1.616 174.887 176.600 -0.161 0.000 0.955 7 K CA -0.564 55.657 56.287 -0.111 0.000 0.817 7 K CB 2.514 34.682 32.500 -0.553 0.000 1.208 7 K HN 0.415 nan 8.250 nan 0.000 0.432 8 F N -0.546 119.332 119.950 -0.119 0.000 2.654 8 F HA 0.416 4.944 4.527 0.001 0.000 0.334 8 F C 1.319 177.068 175.800 -0.084 0.000 1.078 8 F CA -0.106 57.846 58.000 -0.081 0.000 0.986 8 F CB 0.855 39.828 39.000 -0.045 0.000 1.362 8 F HN 0.808 nan 8.300 nan 0.000 0.498 9 G N 1.523 110.421 108.800 0.163 0.000 2.672 9 G HA2 -0.457 3.503 3.960 0.001 0.000 0.356 9 G HA3 -0.457 3.503 3.960 0.001 0.000 0.356 9 G C 1.088 175.996 174.900 0.013 0.000 1.312 9 G CA 1.331 46.473 45.100 0.069 0.000 0.980 9 G HN 0.681 nan 8.290 nan 0.000 0.540 10 N N 1.229 119.933 118.700 0.006 0.000 2.025 10 N HA -0.038 4.703 4.740 0.001 0.000 0.194 10 N C 1.842 177.328 175.510 -0.039 0.000 1.044 10 N CA 1.866 54.907 53.050 -0.015 0.000 0.851 10 N CB -0.700 37.781 38.487 -0.010 0.000 1.036 10 N HN 0.623 nan 8.380 nan 0.000 0.422 11 D N 0.214 120.594 120.400 -0.034 0.000 2.248 11 D HA -0.262 4.379 4.640 0.001 0.000 0.189 11 D C 1.726 177.933 176.300 -0.155 0.000 1.011 11 D CA 2.052 56.010 54.000 -0.070 0.000 0.868 11 D CB -0.495 40.280 40.800 -0.043 0.000 0.931 11 D HN 0.385 nan 8.370 nan 0.000 0.449 12 A N 0.399 123.119 122.820 -0.165 0.000 1.832 12 A HA -0.169 4.152 4.320 0.001 0.000 0.214 12 A C 2.150 179.633 177.584 -0.167 0.000 1.200 12 A CA 1.676 53.558 52.037 -0.259 0.000 0.610 12 A CB -0.545 18.332 19.000 -0.204 0.000 0.842 12 A HN 0.104 nan 8.150 nan 0.000 0.444 13 R N -0.609 119.835 120.500 -0.093 0.000 2.096 13 R HA -0.143 4.198 4.340 0.001 0.000 0.240 13 R C 2.068 178.340 176.300 -0.048 0.000 1.139 13 R CA 1.621 57.687 56.100 -0.056 0.000 0.952 13 R CB -0.874 29.407 30.300 -0.032 0.000 0.854 13 R HN 0.394 nan 8.270 nan 0.000 0.436 14 V N 1.720 121.605 119.914 -0.049 0.000 2.252 14 V HA -0.309 3.812 4.120 0.001 0.000 0.249 14 V C 2.388 178.463 176.094 -0.032 0.000 1.056 14 V CA 1.760 64.040 62.300 -0.034 0.000 1.022 14 V CB -0.439 31.366 31.823 -0.031 0.000 0.641 14 V HN 0.253 nan 8.190 nan 0.000 0.445 15 K N -0.571 119.794 120.400 -0.057 0.000 2.020 15 K HA -0.169 4.152 4.320 0.001 0.000 0.212 15 K C 2.150 178.751 176.600 0.001 0.000 1.050 15 K CA 1.832 58.103 56.287 -0.027 0.000 0.929 15 K CB -0.696 31.761 32.500 -0.072 0.000 0.714 15 K HN 0.406 nan 8.250 nan 0.000 0.443 16 M N 0.223 119.812 119.600 -0.018 0.000 2.143 16 M HA -0.236 4.244 4.480 0.001 0.000 0.258 16 M C 2.213 178.516 176.300 0.005 0.000 1.071 16 M CA 1.304 56.605 55.300 0.003 0.000 1.088 16 M CB -0.344 32.249 32.600 -0.012 0.000 1.360 16 M HN 0.070 nan 8.290 nan 0.000 0.404 17 L N 0.326 121.547 121.223 -0.003 0.000 2.005 17 L HA -0.169 4.172 4.340 0.001 0.000 0.207 17 L C 2.361 179.235 176.870 0.006 0.000 1.072 17 L CA 1.883 56.724 54.840 0.000 0.000 0.744 17 L CB -0.545 41.512 42.059 -0.004 0.000 0.895 17 L HN 0.145 nan 8.230 nan 0.000 0.433 18 R N -0.485 120.020 120.500 0.008 0.000 2.083 18 R HA -0.118 4.223 4.340 0.001 0.000 0.237 18 R C 2.224 178.533 176.300 0.016 0.000 1.137 18 R CA 1.257 57.364 56.100 0.012 0.000 0.951 18 R CB -1.253 29.056 30.300 0.015 0.000 0.851 18 R HN 0.582 nan 8.270 nan 0.000 0.434 19 G N 1.002 109.816 108.800 0.023 0.000 2.586 19 G HA2 -0.336 3.624 3.960 0.001 0.000 0.218 19 G HA3 -0.336 3.624 3.960 0.001 0.000 0.218 19 G C 1.455 176.365 174.900 0.016 0.000 1.216 19 G CA 1.179 46.294 45.100 0.026 0.000 0.786 19 G HN 0.288 nan 8.290 nan 0.000 0.583 20 V N 1.311 121.232 119.914 0.013 0.000 2.231 20 V HA -0.316 3.805 4.120 0.001 0.000 0.248 20 V C 2.284 178.382 176.094 0.007 0.000 1.054 20 V CA 3.078 65.383 62.300 0.008 0.000 1.015 20 V CB -1.057 30.770 31.823 0.006 0.000 0.638 20 V HN 0.595 nan 8.190 nan 0.000 0.444 21 N N -0.489 118.216 118.700 0.007 0.000 2.073 21 N HA -0.250 4.490 4.740 0.001 0.000 0.199 21 N C 1.794 177.308 175.510 0.006 0.000 1.023 21 N CA 2.221 55.274 53.050 0.006 0.000 0.880 21 N CB -0.418 38.073 38.487 0.006 0.000 1.052 21 N HN 0.476 nan 8.380 nan 0.000 0.449 22 V N 1.996 121.914 119.914 0.007 0.000 2.220 22 V HA -0.275 3.846 4.120 0.001 0.000 0.250 22 V C 2.302 178.399 176.094 0.004 0.000 1.056 22 V CA 1.612 63.916 62.300 0.006 0.000 1.016 22 V CB -0.802 31.026 31.823 0.008 0.000 0.639 22 V HN 0.422 nan 8.190 nan 0.000 0.446 23 L N 0.227 121.453 121.223 0.004 0.000 1.991 23 L HA -0.287 4.054 4.340 0.001 0.000 0.221 23 L C 2.520 179.391 176.870 0.001 0.000 1.079 23 L CA 3.105 57.946 54.840 0.001 0.000 0.778 23 L CB -1.245 40.815 42.059 0.000 0.000 0.893 23 L HN 0.406 nan 8.230 nan 0.000 0.437 24 A N -0.621 122.200 122.820 0.002 0.000 1.902 24 A HA -0.225 4.095 4.320 0.001 0.000 0.217 24 A C 1.865 179.451 177.584 0.003 0.000 1.181 24 A CA 1.724 53.763 52.037 0.003 0.000 0.623 24 A CB -0.666 18.336 19.000 0.004 0.000 0.818 24 A HN 0.578 nan 8.150 nan 0.000 0.443 25 D N -0.078 120.325 120.400 0.003 0.000 2.218 25 D HA -0.018 4.622 4.640 0.001 0.000 0.204 25 D C 2.038 178.340 176.300 0.003 0.000 0.976 25 D CA 1.327 55.329 54.000 0.003 0.000 0.853 25 D CB -0.157 40.646 40.800 0.004 0.000 0.939 25 D HN 0.464 nan 8.370 nan 0.000 0.481 26 A N 0.231 123.052 122.820 0.002 0.000 1.943 26 A HA -0.004 4.317 4.320 0.001 0.000 0.213 26 A C 2.217 179.801 177.584 0.000 0.000 1.181 26 A CA 0.534 52.572 52.037 0.001 0.000 0.653 26 A CB -0.214 18.786 19.000 0.001 0.000 0.833 26 A HN 0.173 nan 8.150 nan 0.000 0.451 27 V N 0.934 120.847 119.914 -0.000 0.000 2.992 27 V HA -0.098 4.023 4.120 0.001 0.000 0.250 27 V C 2.312 178.406 176.094 -0.001 0.000 1.090 27 V CA 1.943 64.242 62.300 -0.001 0.000 1.101 27 V CB -0.434 31.387 31.823 -0.003 0.000 0.743 27 V HN 0.767 nan 8.190 nan 0.000 0.468 28 K N 0.959 121.359 120.400 0.001 0.000 2.097 28 K HA -0.098 4.222 4.320 0.001 0.000 0.205 28 K C 1.743 178.344 176.600 0.001 0.000 1.050 28 K CA 1.944 58.232 56.287 0.002 0.000 0.938 28 K CB -1.090 31.412 32.500 0.004 0.000 0.718 28 K HN 0.495 nan 8.250 nan 0.000 0.442 29 V N 0.438 120.353 119.914 0.001 0.000 3.140 29 V HA -0.120 4.001 4.120 0.001 0.000 0.269 29 V C 1.628 177.722 176.094 -0.000 0.000 1.149 29 V CA 1.689 63.990 62.300 0.001 0.000 1.162 29 V CB -1.417 30.406 31.823 0.001 0.000 0.756 29 V HN 0.584 nan 8.190 nan 0.000 0.523 30 T N -3.919 110.634 114.554 -0.002 0.000 3.174 30 T HA 0.314 4.664 4.350 0.001 0.000 0.269 30 T C 1.110 175.807 174.700 -0.005 0.000 1.017 30 T CA 0.262 62.360 62.100 -0.004 0.000 0.899 30 T CB 0.653 69.519 68.868 -0.004 0.000 1.077 30 T HN 0.310 nan 8.240 nan 0.000 0.552 31 L N 2.702 123.923 121.223 -0.004 0.000 1.993 31 L HA 0.442 4.783 4.340 0.001 0.000 0.206 31 L C 1.664 178.528 176.870 -0.011 0.000 1.074 31 L CA 1.513 56.349 54.840 -0.006 0.000 0.746 31 L CB -1.306 40.751 42.059 -0.003 0.000 0.896 31 L HN 0.432 nan 8.230 nan 0.000 0.435 32 G N -0.635 108.158 108.800 -0.011 0.000 2.794 32 G HA2 0.036 3.996 3.960 0.001 0.000 0.249 32 G HA3 0.036 3.996 3.960 0.001 0.000 0.249 32 G C -1.716 173.168 174.900 -0.027 0.000 1.236 32 G CA 0.125 45.213 45.100 -0.021 0.000 0.880 32 G HN 0.415 nan 8.290 nan 0.000 0.586 33 P HA 0.023 nan 4.420 nan 0.000 0.229 33 P C 0.548 177.827 177.300 -0.034 0.000 1.160 33 P CA 1.023 64.098 63.100 -0.042 0.000 0.777 33 P CB 0.404 32.067 31.700 -0.062 0.000 0.814 34 K N 0.751 121.132 120.400 -0.031 0.000 3.109 34 K HA 0.338 4.659 4.320 0.001 0.000 0.214 34 K C 0.798 177.391 176.600 -0.012 0.000 1.196 34 K CA -0.424 55.851 56.287 -0.021 0.000 1.115 34 K CB 0.617 33.105 32.500 -0.019 0.000 1.103 34 K HN 0.026 nan 8.250 nan 0.000 0.467 35 G N 0.846 109.639 108.800 -0.012 0.000 2.539 35 G HA2 0.185 4.145 3.960 0.001 0.000 0.258 35 G HA3 0.185 4.145 3.960 0.001 0.000 0.258 35 G C 0.116 175.013 174.900 -0.005 0.000 1.202 35 G CA -0.584 44.512 45.100 -0.007 0.000 0.851 35 G HN 0.170 nan 8.290 nan 0.000 0.556 36 R N -0.387 120.111 120.500 -0.002 0.000 2.541 36 R HA 0.266 4.607 4.340 0.001 0.000 0.263 36 R C 0.476 176.775 176.300 -0.002 0.000 1.112 36 R CA -0.534 55.565 56.100 -0.001 0.000 1.170 36 R CB 0.233 30.533 30.300 0.000 0.000 1.167 36 R HN 0.854 nan 8.270 nan 0.000 0.582 37 N N -1.177 117.522 118.700 -0.001 0.000 2.362 37 N HA 0.511 5.252 4.740 0.001 0.000 0.299 37 N C -0.953 174.556 175.510 -0.000 0.000 1.170 37 N CA -0.827 52.222 53.050 -0.001 0.000 0.825 37 N CB 1.774 40.261 38.487 -0.001 0.000 1.299 37 N HN 0.041 nan 8.380 nan 0.000 0.502 38 V N 0.738 120.651 119.914 -0.000 0.000 2.881 38 V HA 0.396 4.516 4.120 0.001 0.000 0.316 38 V C -0.188 175.906 176.094 0.000 0.000 1.070 38 V CA -0.804 61.496 62.300 -0.000 0.000 0.976 38 V CB 2.009 33.832 31.823 -0.000 0.000 1.038 38 V HN 0.490 nan 8.190 nan 0.000 0.446 39 V N 4.570 124.485 119.914 0.001 0.000 2.334 39 V HA 0.384 4.505 4.120 0.001 0.000 0.281 39 V C -0.589 175.506 176.094 0.001 0.000 1.016 39 V CA -0.530 61.771 62.300 0.001 0.000 0.832 39 V CB 1.431 33.255 31.823 0.001 0.000 0.999 39 V HN 0.490 nan 8.190 nan 0.000 0.439 40 L N 3.802 125.026 121.223 0.003 0.000 2.272 40 L HA 0.403 4.744 4.340 0.001 0.000 0.284 40 L C 0.179 177.053 176.870 0.007 0.000 1.045 40 L CA -0.136 54.707 54.840 0.004 0.000 0.842 40 L CB 0.556 42.618 42.059 0.005 0.000 1.224 40 L HN 0.654 nan 8.230 nan 0.000 0.430 41 D N 3.296 123.698 120.400 0.003 0.000 2.493 41 D HA 0.019 4.660 4.640 0.001 0.000 0.240 41 D C 0.057 176.363 176.300 0.010 0.000 1.142 41 D CA 0.707 54.708 54.000 0.002 0.000 0.872 41 D CB 0.897 41.693 40.800 -0.006 0.000 1.173 41 D HN 0.303 nan 8.370 nan 0.000 0.467 42 K N 1.983 122.394 120.400 0.019 0.000 2.138 42 K HA 0.245 4.565 4.320 0.001 0.000 0.263 42 K C 1.046 177.663 176.600 0.027 0.000 0.965 42 K CA -0.643 55.672 56.287 0.046 0.000 0.868 42 K CB 1.386 33.928 32.500 0.070 0.000 1.083 42 K HN 0.364 nan 8.250 nan 0.000 0.443 43 S N 1.983 117.704 115.700 0.035 0.000 2.343 43 S HA -0.084 4.387 4.470 0.001 0.000 0.219 43 S C 0.313 174.775 174.600 -0.229 0.000 1.033 43 S CA 1.244 59.358 58.200 -0.142 0.000 1.014 43 S CB -0.153 62.921 63.200 -0.209 0.000 0.915 43 S HN 0.395 nan 8.310 nan 0.000 0.435 44 F N 1.640 121.586 119.950 -0.007 0.000 2.391 44 F HA 0.618 5.145 4.527 0.001 0.000 0.359 44 F C 1.114 176.911 175.800 -0.005 0.000 1.122 44 F CA -0.095 57.902 58.000 -0.006 0.000 1.120 44 F CB 0.519 39.516 39.000 -0.006 0.000 1.142 44 F HN 0.423 nan 8.300 nan 0.000 0.483 45 G N 1.414 110.296 108.800 0.136 0.000 2.568 45 G HA2 0.161 4.121 3.960 0.001 0.000 0.222 45 G HA3 0.161 4.121 3.960 0.001 0.000 0.222 45 G C -0.522 174.407 174.900 0.049 0.000 1.321 45 G CA -0.679 44.472 45.100 0.085 0.000 0.893 45 G HN 1.069 nan 8.290 nan 0.000 0.569 46 A N 2.027 124.871 122.820 0.040 0.000 2.462 46 A HA 0.665 4.986 4.320 0.001 0.000 0.243 46 A C -0.577 177.022 177.584 0.025 0.000 1.076 46 A CA 0.210 52.262 52.037 0.025 0.000 0.773 46 A CB -0.212 18.800 19.000 0.020 0.000 1.010 46 A HN 0.911 nan 8.150 nan 0.000 0.493 47 P HA 0.170 nan 4.420 nan 0.000 0.272 47 P C -0.397 176.911 177.300 0.013 0.000 1.254 47 P CA 0.084 63.191 63.100 0.013 0.000 0.795 47 P CB 0.408 32.112 31.700 0.006 0.000 1.022 48 T N 1.005 115.566 114.554 0.011 0.000 2.792 48 T HA 0.520 4.871 4.350 0.001 0.000 0.280 48 T C 0.215 174.919 174.700 0.006 0.000 0.990 48 T CA -0.344 61.762 62.100 0.009 0.000 0.960 48 T CB 0.337 69.211 68.868 0.011 0.000 0.939 48 T HN 0.192 nan 8.240 nan 0.000 0.439 49 I N 2.568 123.141 120.570 0.004 0.000 2.392 49 I HA 0.657 4.828 4.170 0.001 0.000 0.295 49 I C 0.520 176.638 176.117 0.002 0.000 0.985 49 I CA -0.432 60.870 61.300 0.003 0.000 1.221 49 I CB 1.862 39.864 38.000 0.002 0.000 1.366 49 I HN 0.534 nan 8.210 nan 0.000 0.467 50 T N 3.862 118.417 114.554 0.001 0.000 2.786 50 T HA 0.346 4.696 4.350 0.001 0.000 0.316 50 T C -0.518 174.181 174.700 -0.001 0.000 1.503 50 T CA -0.651 61.449 62.100 -0.000 0.000 1.019 50 T CB 1.581 70.449 68.868 -0.000 0.000 1.415 50 T HN 0.694 nan 8.240 nan 0.000 0.496 51 K N 0.940 121.339 120.400 -0.003 0.000 2.469 51 K HA 0.221 4.541 4.320 0.001 0.000 0.204 51 K C -0.775 175.822 176.600 -0.004 0.000 1.047 51 K CA -0.289 55.996 56.287 -0.004 0.000 1.072 51 K CB 0.558 33.055 32.500 -0.005 0.000 0.863 51 K HN 0.438 nan 8.250 nan 0.000 0.530 52 D N 0.406 120.803 120.400 -0.004 0.000 2.411 52 D HA 0.110 4.750 4.640 0.001 0.000 0.225 52 D C 1.257 177.554 176.300 -0.005 0.000 1.156 52 D CA -0.148 53.849 54.000 -0.005 0.000 0.874 52 D CB 1.116 41.914 40.800 -0.004 0.000 1.034 52 D HN 0.192 nan 8.370 nan 0.000 0.502 53 G N 2.529 111.326 108.800 -0.006 0.000 2.513 53 G HA2 -0.283 3.678 3.960 0.001 0.000 0.219 53 G HA3 -0.283 3.678 3.960 0.001 0.000 0.219 53 G C 1.595 176.491 174.900 -0.007 0.000 1.160 53 G CA 0.902 45.999 45.100 -0.006 0.000 0.767 53 G HN 0.489 nan 8.290 nan 0.000 0.571 54 V N 0.903 120.812 119.914 -0.009 0.000 2.324 54 V HA -0.237 3.884 4.120 0.001 0.000 0.250 54 V C 3.142 179.231 176.094 -0.008 0.000 1.060 54 V CA 2.393 64.687 62.300 -0.010 0.000 1.042 54 V CB -0.619 31.198 31.823 -0.011 0.000 0.650 54 V HN 0.400 nan 8.190 nan 0.000 0.450 55 S N -0.534 115.162 115.700 -0.006 0.000 2.338 55 S HA -0.160 4.311 4.470 0.001 0.000 0.218 55 S C 1.997 176.594 174.600 -0.004 0.000 1.032 55 S CA 1.484 59.681 58.200 -0.004 0.000 0.999 55 S CB -0.272 62.926 63.200 -0.003 0.000 0.905 55 S HN 0.348 nan 8.310 nan 0.000 0.439 56 V N 2.502 122.413 119.914 -0.004 0.000 2.218 56 V HA -0.340 3.781 4.120 0.001 0.000 0.251 56 V C 2.699 178.790 176.094 -0.005 0.000 1.057 56 V CA 2.081 64.379 62.300 -0.003 0.000 1.022 56 V CB -1.452 30.369 31.823 -0.003 0.000 0.645 56 V HN 0.568 nan 8.190 nan 0.000 0.451 57 A N -0.077 122.739 122.820 -0.006 0.000 1.909 57 A HA -0.402 3.918 4.320 0.001 0.000 0.221 57 A C 2.358 179.937 177.584 -0.009 0.000 1.223 57 A CA 3.002 55.034 52.037 -0.008 0.000 0.658 57 A CB -0.853 18.140 19.000 -0.011 0.000 0.831 57 A HN 0.574 nan 8.150 nan 0.000 0.462 58 R N -0.625 119.870 120.500 -0.009 0.000 2.134 58 R HA -0.258 4.083 4.340 0.001 0.000 0.248 58 R C 1.923 178.218 176.300 -0.008 0.000 1.143 58 R CA 2.228 58.322 56.100 -0.009 0.000 0.957 58 R CB -0.302 29.992 30.300 -0.009 0.000 0.867 58 R HN 0.513 nan 8.270 nan 0.000 0.441 59 E N -0.032 120.164 120.200 -0.006 0.000 2.358 59 E HA 0.030 4.380 4.350 0.001 0.000 0.195 59 E C -0.069 176.529 176.600 -0.004 0.000 1.010 59 E CA 0.179 56.577 56.400 -0.004 0.000 0.856 59 E CB 0.127 29.826 29.700 -0.002 0.000 0.795 59 E HN 0.241 nan 8.360 nan 0.000 0.504 60 I N 1.992 122.559 120.570 -0.005 0.000 2.598 60 I HA 0.075 4.245 4.170 0.001 0.000 0.284 60 I C 0.216 176.331 176.117 -0.004 0.000 1.140 60 I CA 0.633 61.931 61.300 -0.004 0.000 1.420 60 I CB 0.028 38.026 38.000 -0.003 0.000 1.387 60 I HN 0.086 nan 8.210 nan 0.000 0.553 61 E N 7.371 127.569 120.200 -0.003 0.000 2.428 61 E HA 0.369 4.720 4.350 0.001 0.000 0.307 61 E C -1.708 174.891 176.600 -0.002 0.000 0.902 61 E CA -0.538 55.860 56.400 -0.004 0.000 0.799 61 E CB 1.319 31.015 29.700 -0.006 0.000 1.351 61 E HN 0.464 nan 8.360 nan 0.000 0.392 62 L N 3.370 124.593 121.223 0.001 0.000 2.421 62 L HA 0.368 4.708 4.340 0.001 0.000 0.263 62 L C 1.635 178.505 176.870 0.000 0.000 1.122 62 L CA -0.376 54.467 54.840 0.005 0.000 0.804 62 L CB 1.032 43.100 42.059 0.014 0.000 1.150 62 L HN 0.729 nan 8.230 nan 0.000 0.457 63 E N 0.669 120.870 120.200 0.001 0.000 2.046 63 E HA -0.164 4.187 4.350 0.001 0.000 0.190 63 E C 0.536 177.134 176.600 -0.005 0.000 0.982 63 E CA 0.367 56.764 56.400 -0.005 0.000 0.800 63 E CB 0.239 29.937 29.700 -0.002 0.000 0.756 63 E HN 0.682 nan 8.360 nan 0.000 0.449 64 D N 1.689 122.097 120.400 0.015 0.000 2.368 64 D HA -0.038 4.603 4.640 0.001 0.000 0.268 64 D C -0.475 175.843 176.300 0.029 0.000 1.298 64 D CA 0.253 54.274 54.000 0.035 0.000 0.938 64 D CB 0.492 41.333 40.800 0.069 0.000 1.101 64 D HN 0.082 nan 8.370 nan 0.000 0.509 65 K N 2.624 122.998 120.400 -0.044 0.000 2.188 65 K HA 0.034 4.354 4.320 0.001 0.000 0.246 65 K C 0.729 177.354 176.600 0.041 0.000 1.026 65 K CA -0.426 55.792 56.287 -0.114 0.000 0.871 65 K CB 0.543 32.853 32.500 -0.317 0.000 1.042 65 K HN 0.375 nan 8.250 nan 0.000 0.509 66 F N -1.195 118.747 119.950 -0.013 0.000 2.535 66 F HA -0.385 4.142 4.527 0.001 0.000 0.738 66 F C 1.840 177.633 175.800 -0.011 0.000 0.485 66 F CA 1.908 59.900 58.000 -0.014 0.000 0.751 66 F CB -1.410 37.585 39.000 -0.009 0.000 1.610 66 F HN 0.730 nan 8.300 nan 0.000 0.275 67 E N 0.124 120.460 120.200 0.227 0.000 2.049 67 E HA -0.286 4.064 4.350 0.001 0.000 0.198 67 E C 1.620 178.265 176.600 0.076 0.000 1.007 67 E CA 1.688 58.153 56.400 0.108 0.000 0.809 67 E CB -0.427 29.322 29.700 0.081 0.000 0.749 67 E HN 0.550 nan 8.360 nan 0.000 0.450 68 N N 0.444 119.183 118.700 0.065 0.000 2.104 68 N HA -0.190 4.550 4.740 0.001 0.000 0.190 68 N C 1.796 177.326 175.510 0.034 0.000 1.024 68 N CA 1.552 54.622 53.050 0.033 0.000 0.853 68 N CB -0.008 38.486 38.487 0.010 0.000 1.008 68 N HN 0.098 nan 8.380 nan 0.000 0.424 69 M N -0.541 119.093 119.600 0.056 0.000 2.065 69 M HA -0.076 4.405 4.480 0.001 0.000 0.259 69 M C 2.367 178.690 176.300 0.038 0.000 1.071 69 M CA 1.822 57.151 55.300 0.049 0.000 1.109 69 M CB -1.133 31.520 32.600 0.088 0.000 1.313 69 M HN 0.327 nan 8.290 nan 0.000 0.408 70 G N 0.300 109.129 108.800 0.048 0.000 2.556 70 G HA2 -0.265 3.695 3.960 0.001 0.000 0.220 70 G HA3 -0.265 3.695 3.960 0.001 0.000 0.220 70 G C 1.620 176.529 174.900 0.015 0.000 1.156 70 G CA 1.663 46.779 45.100 0.027 0.000 0.766 70 G HN 0.579 nan 8.290 nan 0.000 0.583 71 A N -0.103 122.727 122.820 0.016 0.000 1.835 71 A HA -0.093 4.227 4.320 0.001 0.000 0.215 71 A C 2.411 179.995 177.584 -0.001 0.000 1.199 71 A CA 2.157 54.198 52.037 0.007 0.000 0.615 71 A CB -0.582 18.422 19.000 0.008 0.000 0.838 71 A HN 0.319 nan 8.150 nan 0.000 0.444 72 Q N -0.491 119.309 119.800 -0.001 0.000 2.152 72 Q HA -0.217 4.123 4.340 0.001 0.000 0.206 72 Q C 2.148 178.139 176.000 -0.016 0.000 0.985 72 Q CA 1.862 57.659 55.803 -0.009 0.000 0.863 72 Q CB -0.639 28.096 28.738 -0.007 0.000 0.904 72 Q HN 0.797 nan 8.270 nan 0.000 0.422 73 M N -0.458 119.136 119.600 -0.010 0.000 2.080 73 M HA -0.164 4.317 4.480 0.001 0.000 0.260 73 M C 2.283 178.566 176.300 -0.028 0.000 1.068 73 M CA 1.238 56.529 55.300 -0.016 0.000 1.109 73 M CB -0.368 32.229 32.600 -0.005 0.000 1.342 73 M HN -0.012 nan 8.290 nan 0.000 0.405 74 V N 0.472 120.373 119.914 -0.021 0.000 2.244 74 V HA -0.254 3.867 4.120 0.001 0.000 0.244 74 V C 2.177 178.245 176.094 -0.044 0.000 1.042 74 V CA 1.808 64.092 62.300 -0.027 0.000 1.006 74 V CB -0.763 31.052 31.823 -0.013 0.000 0.641 74 V HN 0.420 nan 8.190 nan 0.000 0.446 75 K N -0.038 120.341 120.400 -0.034 0.000 2.077 75 K HA -0.331 3.990 4.320 0.001 0.000 0.213 75 K C 2.189 178.751 176.600 -0.063 0.000 1.051 75 K CA 2.317 58.581 56.287 -0.040 0.000 0.929 75 K CB -0.324 32.160 32.500 -0.028 0.000 0.715 75 K HN 0.598 nan 8.250 nan 0.000 0.451 76 E N 0.699 120.860 120.200 -0.066 0.000 2.033 76 E HA -0.222 4.129 4.350 0.001 0.000 0.199 76 E C 2.037 178.545 176.600 -0.153 0.000 1.011 76 E CA 1.661 58.008 56.400 -0.087 0.000 0.815 76 E CB -0.063 29.593 29.700 -0.073 0.000 0.755 76 E HN 0.166 nan 8.360 nan 0.000 0.451 77 V N 0.497 120.298 119.914 -0.188 0.000 2.548 77 V HA -0.108 4.013 4.120 0.001 0.000 0.249 77 V C 2.167 178.040 176.094 -0.370 0.000 1.055 77 V CA 1.872 63.954 62.300 -0.363 0.000 1.065 77 V CB -0.256 31.389 31.823 -0.297 0.000 0.681 77 V HN 0.456 nan 8.190 nan 0.000 0.462 78 A N -0.855 121.861 122.820 -0.174 0.000 2.015 78 A HA -0.173 4.147 4.320 0.001 0.000 0.219 78 A C 2.514 180.039 177.584 -0.099 0.000 1.163 78 A CA 2.076 54.054 52.037 -0.097 0.000 0.646 78 A CB -0.764 18.208 19.000 -0.045 0.000 0.806 78 A HN 0.608 nan 8.150 nan 0.000 0.448 79 S N -0.236 115.394 115.700 -0.117 0.000 2.345 79 S HA -0.167 4.303 4.470 0.001 0.000 0.219 79 S C 2.016 176.553 174.600 -0.106 0.000 1.031 79 S CA 1.564 59.712 58.200 -0.086 0.000 0.984 79 S CB -0.343 62.814 63.200 -0.072 0.000 0.874 79 S HN 0.584 nan 8.310 nan 0.000 0.451 80 K N 1.143 121.422 120.400 -0.202 0.000 2.144 80 K HA -0.183 4.138 4.320 0.001 0.000 0.209 80 K C 2.333 178.899 176.600 -0.057 0.000 1.047 80 K CA 1.308 57.463 56.287 -0.220 0.000 0.927 80 K CB -0.562 31.632 32.500 -0.511 0.000 0.716 80 K HN 0.483 nan 8.250 nan 0.000 0.454 81 A N 2.434 125.204 122.820 -0.083 0.000 1.849 81 A HA -0.286 4.035 4.320 0.001 0.000 0.217 81 A C 2.087 179.756 177.584 0.142 0.000 1.202 81 A CA 2.024 54.240 52.037 0.299 0.000 0.629 81 A CB -0.925 18.220 19.000 0.242 0.000 0.834 81 A HN 0.388 nan 8.150 nan 0.000 0.447 82 N N 0.175 118.899 118.700 0.040 0.000 2.094 82 N HA -0.217 4.524 4.740 0.001 0.000 0.191 82 N C 1.184 176.685 175.510 -0.015 0.000 1.023 82 N CA 2.025 55.069 53.050 -0.010 0.000 0.857 82 N CB -0.535 37.930 38.487 -0.037 0.000 1.013 82 N HN 0.401 nan 8.380 nan 0.000 0.426 83 D N 0.389 120.792 120.400 0.005 0.000 2.133 83 D HA -0.128 4.513 4.640 0.001 0.000 0.192 83 D C 0.740 177.064 176.300 0.040 0.000 1.001 83 D CA 1.561 55.570 54.000 0.016 0.000 0.844 83 D CB -0.338 40.472 40.800 0.016 0.000 0.944 83 D HN 0.442 nan 8.370 nan 0.000 0.447 84 A N -1.366 121.503 122.820 0.082 0.000 2.833 84 A HA 0.664 4.984 4.320 0.001 0.000 0.293 84 A C 0.912 178.528 177.584 0.053 0.000 1.338 84 A CA 0.575 52.660 52.037 0.081 0.000 0.959 84 A CB 0.279 19.351 19.000 0.120 0.000 1.094 84 A HN 0.151 nan 8.150 nan 0.000 0.569 85 A N -2.597 120.234 122.820 0.019 0.000 2.461 85 A HA 0.447 4.768 4.320 0.001 0.000 0.149 85 A C 1.514 179.056 177.584 -0.069 0.000 1.814 85 A CA 0.846 52.882 52.037 -0.001 0.000 1.337 85 A CB -0.651 18.356 19.000 0.011 0.000 1.556 85 A HN 1.982 nan 8.150 nan 0.000 0.392 86 G N -0.864 107.832 108.800 -0.173 0.000 2.176 86 G HA2 -0.122 3.839 3.960 0.001 0.000 0.253 86 G HA3 -0.122 3.839 3.960 0.001 0.000 0.253 86 G C -0.144 174.609 174.900 -0.245 0.000 0.979 86 G CA 0.909 45.756 45.100 -0.422 0.000 0.641 86 G HN 1.108 nan 8.290 nan 0.000 0.530 87 D N -3.127 117.204 120.400 -0.115 0.000 2.827 87 D HA 0.485 5.126 4.640 0.001 0.000 0.336 87 D C 1.084 177.369 176.300 -0.024 0.000 1.374 87 D CA 1.174 55.136 54.000 -0.064 0.000 0.794 87 D CB 0.459 41.229 40.800 -0.049 0.000 1.364 87 D HN 1.337 nan 8.370 nan 0.000 0.464 88 G N -0.487 108.306 108.800 -0.012 0.000 2.279 88 G HA2 -0.354 3.606 3.960 0.001 0.000 0.223 88 G HA3 -0.354 3.606 3.960 0.001 0.000 0.223 88 G C 1.189 176.095 174.900 0.010 0.000 1.015 88 G CA 1.310 46.414 45.100 0.007 0.000 0.621 88 G HN 0.641 nan 8.290 nan 0.000 0.506 89 T N 1.144 115.698 114.554 0.001 0.000 2.634 89 T HA -0.334 4.016 4.350 0.001 0.000 0.256 89 T C 2.298 176.997 174.700 -0.003 0.000 1.131 89 T CA 3.177 65.273 62.100 -0.005 0.000 1.149 89 T CB -1.150 67.708 68.868 -0.017 0.000 0.849 89 T HN 0.670 nan 8.240 nan 0.000 0.457 90 T N 1.587 116.139 114.554 -0.003 0.000 2.639 90 T HA -0.106 4.245 4.350 0.001 0.000 0.261 90 T C 2.332 177.035 174.700 0.004 0.000 1.053 90 T CA 1.769 63.868 62.100 -0.002 0.000 1.158 90 T CB -1.051 67.815 68.868 -0.004 0.000 0.863 90 T HN 0.460 nan 8.240 nan 0.000 0.413 91 T N 2.385 116.943 114.554 0.006 0.000 2.624 91 T HA -0.259 4.092 4.350 0.001 0.000 0.266 91 T C 2.288 177.000 174.700 0.019 0.000 1.050 91 T CA 1.707 63.813 62.100 0.011 0.000 1.163 91 T CB -0.872 68.003 68.868 0.011 0.000 0.861 91 T HN 0.470 nan 8.240 nan 0.000 0.443 92 A N 1.206 124.043 122.820 0.028 0.000 1.869 92 A HA -0.234 4.087 4.320 0.001 0.000 0.218 92 A C 2.588 180.189 177.584 0.028 0.000 1.203 92 A CA 2.692 54.755 52.037 0.043 0.000 0.638 92 A CB -1.560 17.477 19.000 0.061 0.000 0.831 92 A HN 0.526 nan 8.150 nan 0.000 0.450 93 T N -0.099 114.464 114.554 0.014 0.000 2.624 93 T HA -0.193 4.158 4.350 0.001 0.000 0.268 93 T C 1.885 176.591 174.700 0.010 0.000 1.041 93 T CA 1.943 64.047 62.100 0.007 0.000 1.159 93 T CB -0.737 68.131 68.868 0.000 0.000 0.863 93 T HN 0.216 nan 8.240 nan 0.000 0.434 94 V N 1.460 121.380 119.914 0.010 0.000 2.282 94 V HA -0.194 3.926 4.120 0.001 0.000 0.249 94 V C 2.495 178.597 176.094 0.013 0.000 1.057 94 V CA 1.721 64.027 62.300 0.010 0.000 1.032 94 V CB -0.847 30.981 31.823 0.009 0.000 0.645 94 V HN 0.415 nan 8.190 nan 0.000 0.447 95 L N -0.027 121.206 121.223 0.017 0.000 2.005 95 L HA -0.127 4.214 4.340 0.001 0.000 0.207 95 L C 2.825 179.707 176.870 0.019 0.000 1.072 95 L CA 1.514 56.366 54.840 0.019 0.000 0.744 95 L CB -1.009 41.065 42.059 0.025 0.000 0.895 95 L HN 0.336 nan 8.230 nan 0.000 0.433 96 A N -0.220 122.614 122.820 0.022 0.000 1.906 96 A HA -0.417 3.903 4.320 0.001 0.000 0.222 96 A C 2.255 179.848 177.584 0.015 0.000 1.282 96 A CA 2.715 54.765 52.037 0.020 0.000 0.675 96 A CB -1.026 17.984 19.000 0.016 0.000 0.838 96 A HN 0.560 nan 8.150 nan 0.000 0.469 97 Q N -1.009 118.797 119.800 0.011 0.000 1.975 97 Q HA -0.171 4.170 4.340 0.001 0.000 0.205 97 Q C 2.319 178.324 176.000 0.010 0.000 0.990 97 Q CA 2.143 57.952 55.803 0.009 0.000 0.845 97 Q CB -0.479 28.263 28.738 0.008 0.000 0.913 97 Q HN 0.662 nan 8.270 nan 0.000 0.420 98 A N 1.021 123.847 122.820 0.010 0.000 1.893 98 A HA -0.311 4.010 4.320 0.001 0.000 0.222 98 A C 2.005 179.595 177.584 0.010 0.000 1.309 98 A CA 2.374 54.417 52.037 0.010 0.000 0.681 98 A CB -1.321 17.686 19.000 0.012 0.000 0.842 98 A HN 0.555 nan 8.150 nan 0.000 0.468 99 I N -0.563 120.015 120.570 0.012 0.000 2.058 99 I HA -0.285 3.886 4.170 0.001 0.000 0.235 99 I C 2.407 178.530 176.117 0.010 0.000 1.053 99 I CA 1.829 63.136 61.300 0.012 0.000 1.313 99 I CB -0.592 37.417 38.000 0.015 0.000 1.039 99 I HN 0.379 nan 8.210 nan 0.000 0.396 100 I N 0.638 121.214 120.570 0.010 0.000 2.147 100 I HA -0.403 3.768 4.170 0.001 0.000 0.245 100 I C 2.575 178.695 176.117 0.005 0.000 1.059 100 I CA 2.044 63.349 61.300 0.007 0.000 1.320 100 I CB -1.024 36.980 38.000 0.007 0.000 1.021 100 I HN 0.408 nan 8.210 nan 0.000 0.415 101 T N 0.282 114.839 114.554 0.006 0.000 2.555 101 T HA -0.193 4.157 4.350 0.001 0.000 0.264 101 T C 1.786 176.489 174.700 0.004 0.000 1.083 101 T CA 1.528 63.631 62.100 0.004 0.000 1.179 101 T CB -0.305 68.566 68.868 0.005 0.000 0.863 101 T HN 0.321 nan 8.240 nan 0.000 0.412 102 E N 0.944 121.147 120.200 0.005 0.000 2.012 102 E HA -0.103 4.248 4.350 0.001 0.000 0.197 102 E C 2.651 179.254 176.600 0.004 0.000 1.007 102 E CA 1.542 57.944 56.400 0.004 0.000 0.816 102 E CB -1.254 28.449 29.700 0.005 0.000 0.762 102 E HN 0.565 nan 8.360 nan 0.000 0.451 103 G N 1.213 110.016 108.800 0.005 0.000 2.507 103 G HA2 -0.261 3.700 3.960 0.001 0.000 0.221 103 G HA3 -0.261 3.700 3.960 0.001 0.000 0.221 103 G C 1.526 176.428 174.900 0.003 0.000 1.119 103 G CA 0.819 45.922 45.100 0.004 0.000 0.751 103 G HN 0.158 nan 8.290 nan 0.000 0.574 104 L N 0.052 121.276 121.223 0.002 0.000 2.313 104 L HA 0.202 4.543 4.340 0.001 0.000 0.214 104 L C 2.632 179.502 176.870 -0.000 0.000 1.119 104 L CA 1.277 56.117 54.840 0.000 0.000 0.809 104 L CB -0.288 41.770 42.059 -0.001 0.000 0.933 104 L HN 0.195 nan 8.230 nan 0.000 0.449 105 K N -1.094 119.307 120.400 0.001 0.000 2.031 105 K HA -0.025 4.296 4.320 0.001 0.000 0.205 105 K C 2.130 178.731 176.600 0.001 0.000 1.049 105 K CA 1.104 57.391 56.287 0.000 0.000 0.939 105 K CB -0.305 32.196 32.500 0.001 0.000 0.717 105 K HN 0.295 nan 8.250 nan 0.000 0.438 106 A N 1.782 124.603 122.820 0.001 0.000 1.859 106 A HA -0.217 4.104 4.320 0.001 0.000 0.217 106 A C 2.481 180.066 177.584 0.002 0.000 1.198 106 A CA 2.520 54.558 52.037 0.002 0.000 0.629 106 A CB -1.361 17.640 19.000 0.003 0.000 0.830 106 A HN 0.202 nan 8.150 nan 0.000 0.446 107 V N -1.985 117.930 119.914 0.002 0.000 2.250 107 V HA -0.237 3.884 4.120 0.001 0.000 0.250 107 V C 2.570 178.665 176.094 0.001 0.000 1.060 107 V CA 2.438 64.739 62.300 0.002 0.000 1.030 107 V CB -1.766 30.058 31.823 0.002 0.000 0.643 107 V HN 0.686 nan 8.190 nan 0.000 0.445 108 A N 0.275 123.095 122.820 -0.000 0.000 2.121 108 A HA 0.316 4.637 4.320 0.001 0.000 0.218 108 A C 2.326 179.909 177.584 -0.001 0.000 1.154 108 A CA 1.705 53.742 52.037 -0.001 0.000 0.679 108 A CB -0.785 18.213 19.000 -0.003 0.000 0.795 108 A HN 1.055 nan 8.150 nan 0.000 0.458 109 A N -2.087 120.733 122.820 -0.000 0.000 2.123 109 A HA 0.411 4.732 4.320 0.001 0.000 0.214 109 A C 1.785 179.369 177.584 -0.000 0.000 1.152 109 A CA 1.500 53.537 52.037 -0.000 0.000 0.728 109 A CB -0.403 18.598 19.000 0.000 0.000 0.814 109 A HN 1.626 nan 8.150 nan 0.000 0.464 110 G N -2.261 106.539 108.800 0.000 0.000 2.421 110 G HA2 -0.149 3.811 3.960 0.001 0.000 0.188 110 G HA3 -0.149 3.811 3.960 0.001 0.000 0.188 110 G C 0.265 175.166 174.900 0.001 0.000 1.001 110 G CA -0.016 45.084 45.100 0.000 0.000 0.693 110 G HN 0.278 nan 8.290 nan 0.000 0.479 111 M N 1.405 121.006 119.600 0.002 0.000 2.232 111 M HA 0.242 4.722 4.480 0.001 0.000 0.321 111 M C 0.736 177.038 176.300 0.003 0.000 1.101 111 M CA -0.232 55.069 55.300 0.002 0.000 1.181 111 M CB 0.299 32.900 32.600 0.002 0.000 1.432 111 M HN 0.256 nan 8.290 nan 0.000 0.457 112 N N 2.198 120.900 118.700 0.003 0.000 2.442 112 N HA 0.113 4.853 4.740 0.001 0.000 0.265 112 N C -2.272 173.241 175.510 0.005 0.000 1.138 112 N CA -1.384 51.669 53.050 0.004 0.000 0.956 112 N CB 1.222 39.712 38.487 0.004 0.000 1.067 112 N HN 0.252 nan 8.380 nan 0.000 0.474 113 P HA -0.033 nan 4.420 nan 0.000 0.216 113 P C 1.511 178.814 177.300 0.006 0.000 1.153 113 P CA 0.835 63.938 63.100 0.005 0.000 0.844 113 P CB 0.201 31.904 31.700 0.006 0.000 0.787 114 M N -0.101 119.503 119.600 0.006 0.000 2.082 114 M HA -0.187 4.294 4.480 0.001 0.000 0.258 114 M C 1.401 177.704 176.300 0.005 0.000 1.069 114 M CA 1.838 57.142 55.300 0.006 0.000 1.102 114 M CB -1.271 31.333 32.600 0.006 0.000 1.336 114 M HN -0.143 nan 8.290 nan 0.000 0.404 115 D N -0.615 119.788 120.400 0.005 0.000 2.091 115 D HA -0.107 4.534 4.640 0.001 0.000 0.199 115 D C 2.139 178.442 176.300 0.005 0.000 0.980 115 D CA 1.302 55.304 54.000 0.005 0.000 0.831 115 D CB -0.445 40.358 40.800 0.004 0.000 0.987 115 D HN 0.341 nan 8.370 nan 0.000 0.460 116 L N 1.096 122.322 121.223 0.005 0.000 1.991 116 L HA -0.290 4.051 4.340 0.001 0.000 0.221 116 L C 2.632 179.505 176.870 0.006 0.000 1.079 116 L CA 1.684 56.527 54.840 0.005 0.000 0.778 116 L CB -0.630 41.432 42.059 0.005 0.000 0.893 116 L HN 0.057 nan 8.230 nan 0.000 0.437 117 K N 0.335 120.739 120.400 0.006 0.000 2.001 117 K HA -0.291 4.030 4.320 0.001 0.000 0.214 117 K C 2.305 178.909 176.600 0.007 0.000 1.050 117 K CA 2.037 58.329 56.287 0.008 0.000 0.934 117 K CB -0.202 32.302 32.500 0.008 0.000 0.718 117 K HN 0.101 nan 8.250 nan 0.000 0.443 118 R N -0.199 120.305 120.500 0.006 0.000 2.122 118 R HA -0.186 4.154 4.340 0.001 0.000 0.236 118 R C 2.389 178.691 176.300 0.005 0.000 1.129 118 R CA 2.240 58.343 56.100 0.005 0.000 0.925 118 R CB -1.050 29.253 30.300 0.004 0.000 0.850 118 R HN 0.496 nan 8.270 nan 0.000 0.431 119 G N 0.907 109.710 108.800 0.005 0.000 2.513 119 G HA2 -0.307 3.654 3.960 0.001 0.000 0.219 119 G HA3 -0.307 3.654 3.960 0.001 0.000 0.219 119 G C 1.495 176.398 174.900 0.005 0.000 1.160 119 G CA 1.392 46.495 45.100 0.005 0.000 0.767 119 G HN 0.352 nan 8.290 nan 0.000 0.571 120 I N 0.881 121.454 120.570 0.006 0.000 2.072 120 I HA -0.170 4.000 4.170 0.001 0.000 0.235 120 I C 2.477 178.597 176.117 0.006 0.000 1.058 120 I CA 1.565 62.870 61.300 0.007 0.000 1.320 120 I CB -0.407 37.598 38.000 0.009 0.000 1.047 120 I HN 0.113 nan 8.210 nan 0.000 0.397 121 D N 0.920 121.324 120.400 0.006 0.000 2.200 121 D HA -0.295 4.346 4.640 0.001 0.000 0.192 121 D C 1.955 178.255 176.300 0.002 0.000 1.008 121 D CA 1.647 55.650 54.000 0.004 0.000 0.872 121 D CB -0.346 40.457 40.800 0.004 0.000 0.923 121 D HN 0.384 nan 8.370 nan 0.000 0.447 122 K N 0.837 121.238 120.400 0.002 0.000 1.978 122 K HA -0.164 4.157 4.320 0.001 0.000 0.214 122 K C 2.231 178.832 176.600 0.001 0.000 1.049 122 K CA 1.539 57.827 56.287 0.001 0.000 0.939 122 K CB -0.208 32.293 32.500 0.002 0.000 0.721 122 K HN 0.026 nan 8.250 nan 0.000 0.441 123 A N 0.821 123.643 122.820 0.003 0.000 1.896 123 A HA -0.229 4.092 4.320 0.001 0.000 0.220 123 A C 2.305 179.890 177.584 0.002 0.000 1.206 123 A CA 2.434 54.473 52.037 0.004 0.000 0.647 123 A CB -1.166 17.837 19.000 0.005 0.000 0.828 123 A HN 0.240 nan 8.150 nan 0.000 0.455 124 V N -0.437 119.478 119.914 0.001 0.000 2.219 124 V HA -0.309 3.812 4.120 0.001 0.000 0.248 124 V C 2.686 178.776 176.094 -0.006 0.000 1.053 124 V CA 2.689 64.987 62.300 -0.002 0.000 1.009 124 V CB -1.647 30.174 31.823 -0.003 0.000 0.636 124 V HN 0.658 nan 8.190 nan 0.000 0.445 125 T N 0.495 115.045 114.554 -0.006 0.000 2.624 125 T HA -0.354 3.996 4.350 0.001 0.000 0.266 125 T C 1.972 176.668 174.700 -0.006 0.000 1.050 125 T CA 2.332 64.427 62.100 -0.008 0.000 1.163 125 T CB -0.645 68.220 68.868 -0.006 0.000 0.861 125 T HN 0.636 nan 8.240 nan 0.000 0.443 126 A N 1.417 124.235 122.820 -0.003 0.000 1.845 126 A HA 0.175 4.496 4.320 0.001 0.000 0.215 126 A C 2.726 180.310 177.584 -0.000 0.000 1.195 126 A CA 2.084 54.120 52.037 -0.001 0.000 0.616 126 A CB -1.340 17.661 19.000 0.002 0.000 0.832 126 A HN 0.555 nan 8.150 nan 0.000 0.443 127 A N -0.471 122.349 122.820 0.001 0.000 1.940 127 A HA -0.063 4.258 4.320 0.001 0.000 0.219 127 A C 2.211 179.794 177.584 -0.002 0.000 1.176 127 A CA 1.991 54.029 52.037 0.002 0.000 0.631 127 A CB -1.122 17.880 19.000 0.003 0.000 0.814 127 A HN 0.501 nan 8.150 nan 0.000 0.446 128 V N -0.204 119.706 119.914 -0.007 0.000 2.324 128 V HA -0.291 3.829 4.120 0.001 0.000 0.250 128 V C 2.537 178.626 176.094 -0.008 0.000 1.060 128 V CA 2.478 64.771 62.300 -0.012 0.000 1.042 128 V CB -0.872 30.939 31.823 -0.020 0.000 0.650 128 V HN 0.562 nan 8.190 nan 0.000 0.450 129 E N 0.131 120.328 120.200 -0.005 0.000 2.017 129 E HA -0.173 4.178 4.350 0.001 0.000 0.193 129 E C 2.321 178.921 176.600 0.001 0.000 0.997 129 E CA 1.159 57.558 56.400 -0.003 0.000 0.804 129 E CB -0.392 29.307 29.700 -0.001 0.000 0.757 129 E HN 0.517 nan 8.360 nan 0.000 0.448 130 E N 0.073 120.275 120.200 0.003 0.000 2.164 130 E HA -0.251 4.100 4.350 0.001 0.000 0.206 130 E C 2.118 178.722 176.600 0.007 0.000 1.032 130 E CA 0.936 57.340 56.400 0.007 0.000 0.832 130 E CB -0.421 29.284 29.700 0.008 0.000 0.742 130 E HN 0.169 nan 8.360 nan 0.000 0.460 131 L N 1.298 122.523 121.223 0.004 0.000 2.046 131 L HA -0.189 4.152 4.340 0.001 0.000 0.208 131 L C 2.219 179.092 176.870 0.004 0.000 1.077 131 L CA 1.761 56.603 54.840 0.004 0.000 0.747 131 L CB -0.339 41.719 42.059 -0.001 0.000 0.896 131 L HN 0.043 nan 8.230 nan 0.000 0.432 132 K N -1.006 119.395 120.400 0.001 0.000 2.063 132 K HA -0.191 4.129 4.320 0.001 0.000 0.208 132 K C 2.069 178.672 176.600 0.005 0.000 1.048 132 K CA 1.400 57.688 56.287 0.002 0.000 0.928 132 K CB -0.453 32.047 32.500 -0.000 0.000 0.713 132 K HN 0.393 nan 8.250 nan 0.000 0.442 133 A N 1.871 124.695 122.820 0.006 0.000 1.828 133 A HA -0.183 4.138 4.320 0.001 0.000 0.215 133 A C 2.173 179.764 177.584 0.012 0.000 1.203 133 A CA 1.439 53.481 52.037 0.009 0.000 0.614 133 A CB -0.850 18.156 19.000 0.010 0.000 0.844 133 A HN 0.262 nan 8.150 nan 0.000 0.445 134 L N 0.651 121.882 121.223 0.014 0.000 2.189 134 L HA -0.059 4.282 4.340 0.001 0.000 0.214 134 L C 1.528 178.409 176.870 0.017 0.000 1.097 134 L CA 1.651 56.502 54.840 0.019 0.000 0.764 134 L CB -0.883 41.188 42.059 0.021 0.000 0.900 134 L HN 0.341 nan 8.230 nan 0.000 0.436 135 S N -0.799 114.908 115.700 0.013 0.000 2.563 135 S HA 0.105 4.576 4.470 0.001 0.000 0.294 135 S C -0.126 174.481 174.600 0.012 0.000 1.279 135 S CA -0.439 57.768 58.200 0.011 0.000 1.069 135 S CB 0.059 63.263 63.200 0.008 0.000 0.828 135 S HN 0.114 nan 8.310 nan 0.000 0.497 136 V N 8.906 128.827 119.914 0.013 0.000 2.370 136 V HA 0.354 4.475 4.120 0.001 0.000 0.283 136 V C -1.910 174.190 176.094 0.011 0.000 1.023 136 V CA -1.810 60.498 62.300 0.013 0.000 0.857 136 V CB 1.084 32.916 31.823 0.015 0.000 0.985 136 V HN 0.792 nan 8.190 nan 0.000 0.443 137 P HA 0.002 nan 4.420 nan 0.000 0.270 137 P C -0.525 176.780 177.300 0.009 0.000 1.216 137 P CA 0.008 63.113 63.100 0.009 0.000 0.788 137 P CB 0.344 32.049 31.700 0.008 0.000 0.883 138 C N 1.666 120.972 119.300 0.009 0.000 3.027 138 C HA 0.510 4.970 4.460 0.001 0.000 0.350 138 C C 0.937 175.932 174.990 0.008 0.000 1.042 138 C CA 0.330 59.353 59.018 0.009 0.000 1.350 138 C CB -0.788 26.958 27.740 0.010 0.000 1.809 138 C HN 0.635 nan 8.230 nan 0.000 0.513 139 S N 2.625 118.330 115.700 0.007 0.000 3.313 139 S HA 0.197 4.667 4.470 0.001 0.000 0.247 139 S C 0.238 174.842 174.600 0.005 0.000 1.058 139 S CA 0.644 58.847 58.200 0.006 0.000 0.794 139 S CB -0.180 63.024 63.200 0.006 0.000 0.842 139 S HN 0.933 nan 8.310 nan 0.000 0.526 140 D N 1.837 122.240 120.400 0.005 0.000 2.400 140 D HA 0.162 4.802 4.640 0.001 0.000 0.238 140 D C 0.737 177.039 176.300 0.004 0.000 1.157 140 D CA 0.276 54.279 54.000 0.004 0.000 0.889 140 D CB 0.497 41.300 40.800 0.004 0.000 1.199 140 D HN 0.127 nan 8.370 nan 0.000 0.436 141 S N 0.472 116.174 115.700 0.003 0.000 2.493 141 S HA -0.199 4.272 4.470 0.001 0.000 0.243 141 S C 1.490 176.091 174.600 0.002 0.000 0.991 141 S CA 1.097 59.298 58.200 0.002 0.000 0.957 141 S CB -0.284 62.916 63.200 0.001 0.000 0.756 141 S HN 0.649 nan 8.310 nan 0.000 0.521 142 K N 1.792 122.193 120.400 0.003 0.000 1.980 142 K HA -0.017 4.303 4.320 0.001 0.000 0.208 142 K C 2.353 178.955 176.600 0.004 0.000 1.043 142 K CA 1.167 57.456 56.287 0.003 0.000 0.938 142 K CB -0.474 32.028 32.500 0.004 0.000 0.724 142 K HN 0.254 nan 8.250 nan 0.000 0.438 143 A N 1.900 124.722 122.820 0.005 0.000 1.917 143 A HA -0.172 4.149 4.320 0.001 0.000 0.219 143 A C 2.093 179.680 177.584 0.006 0.000 1.182 143 A CA 1.579 53.619 52.037 0.006 0.000 0.633 143 A CB -0.616 18.388 19.000 0.007 0.000 0.819 143 A HN 0.364 nan 8.150 nan 0.000 0.448 144 I N -0.008 120.565 120.570 0.005 0.000 2.076 144 I HA -0.275 3.896 4.170 0.001 0.000 0.237 144 I C 3.003 179.122 176.117 0.003 0.000 1.059 144 I CA 1.675 62.977 61.300 0.004 0.000 1.317 144 I CB -1.794 36.208 38.000 0.003 0.000 1.037 144 I HN 0.365 nan 8.210 nan 0.000 0.398 145 A N -0.041 122.780 122.820 0.002 0.000 1.940 145 A HA -0.287 4.033 4.320 0.001 0.000 0.219 145 A C 2.216 179.801 177.584 0.002 0.000 1.176 145 A CA 2.013 54.051 52.037 0.001 0.000 0.631 145 A CB -0.684 18.316 19.000 0.000 0.000 0.814 145 A HN 0.515 nan 8.150 nan 0.000 0.446 146 Q N 0.050 119.852 119.800 0.003 0.000 1.858 146 Q HA -0.201 4.140 4.340 0.001 0.000 0.240 146 Q C 2.025 178.028 176.000 0.004 0.000 1.014 146 Q CA 2.979 58.784 55.803 0.004 0.000 0.884 146 Q CB -1.153 27.588 28.738 0.005 0.000 0.957 146 Q HN 0.585 nan 8.270 nan 0.000 0.419 147 V N 0.425 120.343 119.914 0.006 0.000 2.313 147 V HA -0.266 3.854 4.120 0.001 0.000 0.253 147 V C 1.871 177.970 176.094 0.008 0.000 1.070 147 V CA 3.044 65.349 62.300 0.007 0.000 1.057 147 V CB -1.379 30.450 31.823 0.010 0.000 0.653 147 V HN 0.607 nan 8.190 nan 0.000 0.450 148 G N -0.229 108.575 108.800 0.007 0.000 2.511 148 G HA2 -0.363 3.597 3.960 0.001 0.000 0.216 148 G HA3 -0.363 3.597 3.960 0.001 0.000 0.216 148 G C 1.764 176.667 174.900 0.004 0.000 1.218 148 G CA 2.278 47.381 45.100 0.006 0.000 0.788 148 G HN 0.758 nan 8.290 nan 0.000 0.560 149 T N 0.198 114.754 114.554 0.002 0.000 2.760 149 T HA -0.140 4.210 4.350 0.001 0.000 0.269 149 T C 2.357 177.057 174.700 0.000 0.000 1.047 149 T CA 1.542 63.643 62.100 0.001 0.000 1.139 149 T CB -0.350 68.518 68.868 -0.000 0.000 0.855 149 T HN 0.317 nan 8.240 nan 0.000 0.471 150 I N 1.271 121.841 120.570 0.001 0.000 2.193 150 I HA -0.082 4.089 4.170 0.001 0.000 0.240 150 I C 2.968 179.084 176.117 -0.001 0.000 1.084 150 I CA 1.386 62.685 61.300 -0.001 0.000 1.365 150 I CB -0.608 37.391 38.000 -0.001 0.000 1.064 150 I HN 0.293 nan 8.210 nan 0.000 0.410 151 S N 0.554 116.256 115.700 0.004 0.000 2.547 151 S HA 0.032 4.503 4.470 0.001 0.000 0.235 151 S C 1.740 176.345 174.600 0.009 0.000 0.980 151 S CA 0.941 59.146 58.200 0.009 0.000 0.941 151 S CB -0.179 63.032 63.200 0.018 0.000 0.763 151 S HN 0.443 nan 8.310 nan 0.000 0.532 152 A N 1.195 124.018 122.820 0.006 0.000 2.308 152 A HA 0.362 4.683 4.320 0.001 0.000 0.217 152 A C 0.624 178.208 177.584 0.001 0.000 1.216 152 A CA 0.146 52.186 52.037 0.005 0.000 0.864 152 A CB -0.671 18.331 19.000 0.003 0.000 0.902 152 A HN 0.777 nan 8.150 nan 0.000 0.499 153 N N -0.470 118.229 118.700 -0.002 0.000 2.729 153 N HA -0.235 4.506 4.740 0.001 0.000 0.259 153 N C 0.395 175.902 175.510 -0.006 0.000 1.119 153 N CA 0.291 53.338 53.050 -0.006 0.000 0.679 153 N CB -1.051 37.432 38.487 -0.006 0.000 0.892 153 N HN 0.358 nan 8.380 nan 0.000 0.558 154 S N -1.159 114.538 115.700 -0.006 0.000 1.799 154 S HA -0.289 4.181 4.470 0.001 0.000 0.230 154 S C 0.047 174.645 174.600 -0.004 0.000 0.932 154 S CA 1.386 59.583 58.200 -0.005 0.000 1.516 154 S CB -1.023 62.173 63.200 -0.007 0.000 1.962 154 S HN 0.852 nan 8.310 nan 0.000 0.542 155 D N 3.008 123.406 120.400 -0.003 0.000 2.518 155 D HA -0.002 4.639 4.640 0.001 0.000 0.270 155 D C 1.055 177.354 176.300 -0.002 0.000 1.338 155 D CA 0.682 54.680 54.000 -0.003 0.000 0.983 155 D CB 0.231 41.030 40.800 -0.003 0.000 1.126 155 D HN 0.629 nan 8.370 nan 0.000 0.543 156 E N 1.432 121.631 120.200 -0.002 0.000 2.077 156 E HA -0.196 4.155 4.350 0.001 0.000 0.193 156 E C 2.037 178.636 176.600 -0.002 0.000 0.989 156 E CA 1.698 58.097 56.400 -0.002 0.000 0.800 156 E CB -0.070 29.629 29.700 -0.002 0.000 0.746 156 E HN 0.717 nan 8.360 nan 0.000 0.452 157 T N -0.284 114.269 114.554 -0.003 0.000 2.680 157 T HA -0.225 4.126 4.350 0.001 0.000 0.268 157 T C 2.065 176.763 174.700 -0.004 0.000 1.033 157 T CA 1.758 63.856 62.100 -0.003 0.000 1.152 157 T CB -0.860 68.005 68.868 -0.004 0.000 0.859 157 T HN -0.026 nan 8.240 nan 0.000 0.452 158 V N 2.367 122.279 119.914 -0.004 0.000 2.216 158 V HA -0.011 4.109 4.120 0.001 0.000 0.243 158 V C 3.213 179.304 176.094 -0.004 0.000 1.044 158 V CA 2.009 64.306 62.300 -0.004 0.000 0.995 158 V CB -1.692 30.129 31.823 -0.003 0.000 0.633 158 V HN 0.671 nan 8.190 nan 0.000 0.446 159 G N -0.263 108.536 108.800 -0.002 0.000 2.550 159 G HA2 -0.386 3.575 3.960 0.001 0.000 0.222 159 G HA3 -0.386 3.575 3.960 0.001 0.000 0.222 159 G C 1.557 176.456 174.900 -0.002 0.000 1.113 159 G CA 1.490 46.589 45.100 -0.001 0.000 0.748 159 G HN 0.555 nan 8.290 nan 0.000 0.585 160 K N -0.200 120.198 120.400 -0.003 0.000 1.969 160 K HA -0.123 4.198 4.320 0.001 0.000 0.223 160 K C 2.496 179.093 176.600 -0.005 0.000 1.048 160 K CA 1.566 57.851 56.287 -0.003 0.000 0.983 160 K CB -0.430 32.068 32.500 -0.004 0.000 0.738 160 K HN 0.153 nan 8.250 nan 0.000 0.446 161 L N 1.549 122.768 121.223 -0.006 0.000 2.064 161 L HA -0.255 4.086 4.340 0.001 0.000 0.216 161 L C 2.368 179.232 176.870 -0.010 0.000 1.077 161 L CA 1.752 56.587 54.840 -0.008 0.000 0.766 161 L CB -0.671 41.382 42.059 -0.010 0.000 0.890 161 L HN 0.380 nan 8.230 nan 0.000 0.435 162 I N -0.903 119.661 120.570 -0.010 0.000 2.194 162 I HA -0.361 3.810 4.170 0.001 0.000 0.246 162 I C 2.621 178.733 176.117 -0.008 0.000 1.093 162 I CA 1.362 62.655 61.300 -0.011 0.000 1.355 162 I CB -0.694 37.300 38.000 -0.009 0.000 1.046 162 I HN 0.294 nan 8.210 nan 0.000 0.413 163 A N 0.652 123.469 122.820 -0.005 0.000 1.873 163 A HA -0.199 4.122 4.320 0.001 0.000 0.215 163 A C 2.215 179.796 177.584 -0.005 0.000 1.186 163 A CA 1.573 53.608 52.037 -0.004 0.000 0.616 163 A CB -0.595 18.404 19.000 -0.002 0.000 0.823 163 A HN 0.446 nan 8.150 nan 0.000 0.442 164 E N 0.067 120.264 120.200 -0.006 0.000 2.033 164 E HA -0.210 4.141 4.350 0.001 0.000 0.199 164 E C 2.359 178.955 176.600 -0.007 0.000 1.011 164 E CA 1.103 57.499 56.400 -0.006 0.000 0.815 164 E CB -0.465 29.231 29.700 -0.007 0.000 0.755 164 E HN 0.591 nan 8.360 nan 0.000 0.451 165 A N 1.855 124.669 122.820 -0.010 0.000 1.859 165 A HA -0.303 4.018 4.320 0.001 0.000 0.218 165 A C 2.289 179.866 177.584 -0.010 0.000 1.242 165 A CA 2.527 54.557 52.037 -0.012 0.000 0.661 165 A CB -0.942 18.048 19.000 -0.016 0.000 0.842 165 A HN 0.206 nan 8.150 nan 0.000 0.455 166 M N -1.127 118.467 119.600 -0.009 0.000 2.260 166 M HA -0.194 4.286 4.480 0.001 0.000 0.261 166 M C 1.635 177.932 176.300 -0.005 0.000 1.066 166 M CA 1.924 57.220 55.300 -0.007 0.000 1.082 166 M CB -0.671 31.926 32.600 -0.005 0.000 1.388 166 M HN 0.569 nan 8.290 nan 0.000 0.419 167 D N 0.317 120.714 120.400 -0.005 0.000 2.348 167 D HA -0.085 4.556 4.640 0.001 0.000 0.216 167 D C 1.884 178.182 176.300 -0.004 0.000 0.970 167 D CA 0.901 54.899 54.000 -0.003 0.000 0.889 167 D CB 0.384 41.182 40.800 -0.003 0.000 0.912 167 D HN 0.120 nan 8.370 nan 0.000 0.524 168 K N -0.355 120.042 120.400 -0.005 0.000 2.183 168 K HA 0.097 4.418 4.320 0.001 0.000 0.218 168 K C 1.646 178.243 176.600 -0.005 0.000 1.025 168 K CA 0.281 56.565 56.287 -0.006 0.000 0.944 168 K CB -1.040 31.456 32.500 -0.008 0.000 0.936 168 K HN -0.008 nan 8.250 nan 0.000 0.460 169 V N 0.998 120.909 119.914 -0.006 0.000 3.510 169 V HA 0.115 4.236 4.120 0.001 0.000 0.270 169 V C 0.404 176.496 176.094 -0.003 0.000 1.201 169 V CA 1.242 63.539 62.300 -0.005 0.000 1.166 169 V CB -0.889 30.929 31.823 -0.008 0.000 0.825 169 V HN 0.659 nan 8.190 nan 0.000 0.484 170 G N 0.065 108.863 108.800 -0.003 0.000 2.655 170 G HA2 -0.200 3.761 3.960 0.001 0.000 0.680 170 G HA3 -0.200 3.761 3.960 0.001 0.000 0.680 170 G C 0.172 175.071 174.900 -0.001 0.000 1.302 170 G CA 0.063 45.163 45.100 -0.001 0.000 0.872 170 G HN 0.294 nan 8.290 nan 0.000 0.540 171 K N -0.010 120.391 120.400 0.001 0.000 2.057 171 K HA -0.045 4.276 4.320 0.001 0.000 0.206 171 K C 1.912 178.514 176.600 0.002 0.000 1.050 171 K CA 1.856 58.144 56.287 0.002 0.000 0.935 171 K CB -0.043 32.460 32.500 0.005 0.000 0.715 171 K HN 0.410 nan 8.250 nan 0.000 0.439 172 E N 0.488 120.691 120.200 0.005 0.000 2.502 172 E HA 0.047 4.398 4.350 0.001 0.000 0.194 172 E C 0.447 177.049 176.600 0.003 0.000 1.062 172 E CA -0.033 56.371 56.400 0.007 0.000 0.867 172 E CB 0.063 29.770 29.700 0.011 0.000 0.888 172 E HN 0.302 nan 8.360 nan 0.000 0.510 173 G N -0.015 108.784 108.800 -0.001 0.000 2.614 173 G HA2 0.194 4.155 3.960 0.001 0.000 0.239 173 G HA3 0.194 4.155 3.960 0.001 0.000 0.239 173 G C -0.199 174.695 174.900 -0.010 0.000 1.240 173 G CA -0.518 44.579 45.100 -0.005 0.000 0.842 173 G HN 0.048 nan 8.290 nan 0.000 0.584 174 V N 1.931 121.837 119.914 -0.013 0.000 2.364 174 V HA 0.306 4.427 4.120 0.001 0.000 0.272 174 V C -0.215 175.861 176.094 -0.029 0.000 1.036 174 V CA -0.320 61.966 62.300 -0.022 0.000 0.880 174 V CB 0.598 32.407 31.823 -0.024 0.000 0.991 174 V HN 0.450 nan 8.190 nan 0.000 0.460 175 I N 4.826 125.374 120.570 -0.037 0.000 2.530 175 I HA 0.727 4.898 4.170 0.001 0.000 0.297 175 I C 0.407 176.494 176.117 -0.051 0.000 1.011 175 I CA -0.011 61.265 61.300 -0.040 0.000 1.107 175 I CB 2.270 40.245 38.000 -0.040 0.000 1.285 175 I HN 0.766 nan 8.210 nan 0.000 0.436 176 T N 2.030 116.557 114.554 -0.045 0.000 2.864 176 T HA 0.921 5.271 4.350 0.001 0.000 0.289 176 T C -0.855 173.821 174.700 -0.041 0.000 1.082 176 T CA -0.776 61.296 62.100 -0.047 0.000 1.009 176 T CB 1.682 70.524 68.868 -0.043 0.000 1.234 176 T HN 0.256 nan 8.240 nan 0.000 0.526 177 V N 0.733 120.624 119.914 -0.038 0.000 2.876 177 V HA 0.710 4.830 4.120 0.001 0.000 0.312 177 V C -0.883 175.196 176.094 -0.025 0.000 1.085 177 V CA -0.880 61.402 62.300 -0.030 0.000 0.945 177 V CB 1.921 33.726 31.823 -0.031 0.000 1.017 177 V HN 1.073 nan 8.190 nan 0.000 0.428 178 E N 0.991 121.178 120.200 -0.021 0.000 2.356 178 E HA 0.417 4.768 4.350 0.001 0.000 0.275 178 E C -1.810 174.780 176.600 -0.016 0.000 0.904 178 E CA -1.023 55.366 56.400 -0.018 0.000 0.757 178 E CB 2.188 31.876 29.700 -0.020 0.000 1.232 178 E HN 0.703 nan 8.360 nan 0.000 0.442 179 D N 1.132 121.524 120.400 -0.013 0.000 2.506 179 D HA 0.198 4.839 4.640 0.001 0.000 0.234 179 D C 0.355 176.648 176.300 -0.012 0.000 1.143 179 D CA 0.663 54.657 54.000 -0.011 0.000 0.871 179 D CB 0.535 41.329 40.800 -0.010 0.000 1.190 179 D HN 0.465 nan 8.370 nan 0.000 0.459 180 G N -0.186 108.608 108.800 -0.011 0.000 2.503 180 G HA2 0.303 4.263 3.960 0.001 0.000 0.257 180 G HA3 0.303 4.263 3.960 0.001 0.000 0.257 180 G C 1.126 176.019 174.900 -0.010 0.000 1.214 180 G CA -0.211 44.882 45.100 -0.011 0.000 0.839 180 G HN 0.532 nan 8.290 nan 0.000 0.559 181 T N -0.799 113.749 114.554 -0.011 0.000 2.978 181 T HA 0.282 4.633 4.350 0.001 0.000 0.262 181 T C 1.334 176.029 174.700 -0.009 0.000 1.063 181 T CA 1.067 63.161 62.100 -0.010 0.000 1.140 181 T CB 0.082 68.944 68.868 -0.011 0.000 0.886 181 T HN 0.757 nan 8.240 nan 0.000 0.470 182 G N 0.659 109.454 108.800 -0.008 0.000 3.234 182 G HA2 0.529 4.489 3.960 0.001 0.000 0.159 182 G HA3 0.529 4.489 3.960 0.001 0.000 0.159 182 G C 0.143 175.039 174.900 -0.007 0.000 1.175 182 G CA -0.136 44.959 45.100 -0.007 0.000 0.900 182 G HN 0.224 nan 8.290 nan 0.000 0.621 183 L N -0.731 120.488 121.223 -0.006 0.000 2.416 183 L HA 0.394 4.734 4.340 0.001 0.000 0.216 183 L C 0.799 177.666 176.870 -0.006 0.000 1.098 183 L CA 0.598 55.435 54.840 -0.006 0.000 0.840 183 L CB -0.284 41.772 42.059 -0.005 0.000 0.981 183 L HN 0.204 nan 8.230 nan 0.000 0.462 184 Q N 1.016 120.812 119.800 -0.006 0.000 2.260 184 Q HA 0.189 4.529 4.340 0.001 0.000 0.242 184 Q C -0.759 175.237 176.000 -0.008 0.000 0.932 184 Q CA -0.310 55.489 55.803 -0.007 0.000 0.891 184 Q CB 1.047 29.781 28.738 -0.007 0.000 1.222 184 Q HN 0.224 nan 8.270 nan 0.000 0.453 185 D N 1.410 121.805 120.400 -0.008 0.000 2.344 185 D HA 0.243 4.884 4.640 0.001 0.000 0.244 185 D C -0.431 175.863 176.300 -0.009 0.000 1.134 185 D CA 0.100 54.095 54.000 -0.009 0.000 0.930 185 D CB 0.809 41.604 40.800 -0.008 0.000 1.175 185 D HN 0.287 nan 8.370 nan 0.000 0.437 186 E N 0.452 120.645 120.200 -0.011 0.000 2.287 186 E HA 0.350 4.700 4.350 0.001 0.000 0.274 186 E C -1.022 175.570 176.600 -0.013 0.000 0.896 186 E CA -0.507 55.886 56.400 -0.012 0.000 0.788 186 E CB 2.259 31.952 29.700 -0.012 0.000 1.244 186 E HN 0.200 nan 8.360 nan 0.000 0.408 187 L N 3.687 124.903 121.223 -0.012 0.000 2.305 187 L HA 0.535 4.876 4.340 0.001 0.000 0.284 187 L C -1.399 175.463 176.870 -0.013 0.000 1.013 187 L CA -0.365 54.467 54.840 -0.014 0.000 0.819 187 L CB 0.710 42.762 42.059 -0.012 0.000 1.227 187 L HN 0.526 nan 8.230 nan 0.000 0.417 188 D N 4.019 124.411 120.400 -0.015 0.000 2.645 188 D HA 0.429 5.070 4.640 0.001 0.000 0.228 188 D C -1.033 175.258 176.300 -0.015 0.000 1.148 188 D CA -0.159 53.832 54.000 -0.014 0.000 0.860 188 D CB 2.889 43.680 40.800 -0.015 0.000 1.548 188 D HN 0.330 nan 8.370 nan 0.000 0.460 189 V N -1.025 118.880 119.914 -0.014 0.000 2.448 189 V HA 0.809 4.930 4.120 0.001 0.000 0.295 189 V C -0.393 175.692 176.094 -0.014 0.000 1.025 189 V CA -0.606 61.686 62.300 -0.014 0.000 0.859 189 V CB 1.495 33.311 31.823 -0.011 0.000 0.988 189 V HN 0.321 nan 8.190 nan 0.000 0.431 190 V N 3.227 123.132 119.914 -0.015 0.000 2.925 190 V HA 0.562 4.683 4.120 0.001 0.000 0.311 190 V C -0.216 175.870 176.094 -0.014 0.000 1.104 190 V CA -0.516 61.775 62.300 -0.015 0.000 0.954 190 V CB 2.217 34.028 31.823 -0.019 0.000 1.022 190 V HN 1.055 nan 8.190 nan 0.000 0.427 191 E N 3.194 123.387 120.200 -0.012 0.000 2.694 191 E HA 0.381 4.731 4.350 0.001 0.000 0.250 191 E C 0.243 176.837 176.600 -0.011 0.000 0.963 191 E CA 1.076 57.471 56.400 -0.009 0.000 0.949 191 E CB 0.547 30.243 29.700 -0.007 0.000 0.911 191 E HN 1.037 nan 8.360 nan 0.000 0.500 192 G N 1.458 110.253 108.800 -0.008 0.000 2.550 192 G HA2 0.607 4.567 3.960 0.001 0.000 0.293 192 G HA3 0.607 4.567 3.960 0.001 0.000 0.293 192 G C -1.161 173.737 174.900 -0.004 0.000 1.402 192 G CA -0.587 44.506 45.100 -0.012 0.000 0.784 192 G HN 0.415 nan 8.290 nan 0.000 0.482 193 M N -0.480 119.113 119.600 -0.013 0.000 2.833 193 M HA 0.665 5.145 4.480 0.001 0.000 0.270 193 M C -2.262 174.004 176.300 -0.057 0.000 1.209 193 M CA -0.695 54.605 55.300 0.001 0.000 0.826 193 M CB 2.370 35.004 32.600 0.056 0.000 1.657 193 M HN 0.797 nan 8.290 nan 0.000 0.492 194 Q N 2.098 121.871 119.800 -0.044 0.000 2.482 194 Q HA 0.723 5.064 4.340 0.001 0.000 0.286 194 Q C -2.287 173.697 176.000 -0.026 0.000 1.007 194 Q CA -0.648 55.058 55.803 -0.162 0.000 0.801 194 Q CB 2.784 31.459 28.738 -0.105 0.000 1.455 194 Q HN 0.656 nan 8.270 nan 0.000 0.398 195 F N -0.885 119.073 119.950 0.014 0.000 2.688 195 F HA 0.416 4.944 4.527 0.001 0.000 0.308 195 F C -1.673 174.137 175.800 0.017 0.000 1.117 195 F CA -1.362 56.648 58.000 0.017 0.000 0.976 195 F CB 0.605 39.617 39.000 0.020 0.000 1.291 195 F HN 0.310 nan 8.300 nan 0.000 0.439 196 D N 2.539 123.129 120.400 0.316 0.000 2.342 196 D HA 0.450 5.090 4.640 0.001 0.000 0.260 196 D C -0.392 176.071 176.300 0.272 0.000 1.278 196 D CA 0.531 54.653 54.000 0.203 0.000 0.910 196 D CB 0.533 41.409 40.800 0.126 0.000 1.079 196 D HN 0.616 nan 8.370 nan 0.000 0.496 197 R N 1.151 121.793 120.500 0.237 0.000 3.072 197 R HA 0.423 4.764 4.340 0.001 0.000 0.293 197 R C -0.210 176.155 176.300 0.107 0.000 1.210 197 R CA -0.405 55.829 56.100 0.224 0.000 1.121 197 R CB 0.903 31.472 30.300 0.448 0.000 1.286 197 R HN 0.423 nan 8.270 nan 0.000 0.393 198 G N 1.866 110.657 108.800 -0.015 0.000 2.562 198 G HA2 0.330 4.291 3.960 0.001 0.000 0.275 198 G HA3 0.330 4.291 3.960 0.001 0.000 0.275 198 G C -0.566 174.287 174.900 -0.078 0.000 1.196 198 G CA -0.418 44.573 45.100 -0.181 0.000 0.908 198 G HN 0.500 nan 8.290 nan 0.000 0.524 199 Y N -1.302 119.082 120.300 0.139 0.000 2.511 199 Y HA 0.365 4.916 4.550 0.001 0.000 0.347 199 Y C 0.679 176.665 175.900 0.143 0.000 1.257 199 Y CA -1.349 56.874 58.100 0.204 0.000 1.469 199 Y CB 0.287 38.910 38.460 0.273 0.000 1.353 199 Y HN 0.102 nan 8.280 nan 0.000 0.617 200 L N 1.692 123.180 121.223 0.442 0.000 2.653 200 L HA 0.315 4.655 4.340 0.001 0.000 0.231 200 L C 0.257 177.139 176.870 0.020 0.000 1.153 200 L CA 0.390 55.363 54.840 0.221 0.000 0.933 200 L CB -0.653 41.511 42.059 0.176 0.000 1.175 200 L HN 0.731 nan 8.230 nan 0.000 0.473 201 S N -1.481 114.154 115.700 -0.109 0.000 2.590 201 S HA 0.369 4.840 4.470 0.001 0.000 0.286 201 S C -2.363 171.864 174.600 -0.621 0.000 1.147 201 S CA -0.621 57.267 58.200 -0.521 0.000 0.963 201 S CB 1.348 63.815 63.200 -1.222 0.000 1.124 201 S HN -0.152 nan 8.310 nan 0.000 0.458 202 P HA -0.034 nan 4.420 nan 0.000 0.220 202 P C 0.400 177.507 177.300 -0.322 0.000 1.148 202 P CA 0.881 63.691 63.100 -0.484 0.000 0.803 202 P CB -0.080 31.536 31.700 -0.140 0.000 0.782 203 Y N -2.457 117.624 120.300 -0.365 0.000 2.749 203 Y HA -0.051 4.499 4.550 0.001 0.000 0.321 203 Y C 1.510 177.394 175.900 -0.026 0.000 1.195 203 Y CA 0.390 58.371 58.100 -0.197 0.000 1.338 203 Y CB -1.257 37.094 38.460 -0.182 0.000 1.017 203 Y HN -0.004 nan 8.280 nan 0.000 0.517 204 F N -0.928 118.967 119.950 -0.092 0.000 2.559 204 F HA 0.195 4.723 4.527 0.001 0.000 0.286 204 F C 1.201 176.929 175.800 -0.119 0.000 1.108 204 F CA -1.109 56.834 58.000 -0.094 0.000 1.436 204 F CB -0.588 38.345 39.000 -0.111 0.000 1.130 204 F HN -0.193 nan 8.300 nan 0.000 0.584 205 I N 3.140 123.702 120.570 -0.013 0.000 2.996 205 I HA -0.227 3.944 4.170 0.001 0.000 0.311 205 I C 1.082 177.197 176.117 -0.003 0.000 1.219 205 I CA 0.770 62.048 61.300 -0.037 0.000 1.452 205 I CB 0.246 38.187 38.000 -0.099 0.000 1.319 205 I HN 0.275 nan 8.210 nan 0.000 0.564 206 N N 4.312 123.015 118.700 0.005 0.000 2.143 206 N HA 0.043 4.783 4.740 0.001 0.000 0.222 206 N C -0.305 175.203 175.510 -0.003 0.000 1.264 206 N CA -0.216 52.835 53.050 0.001 0.000 0.897 206 N CB 0.716 39.206 38.487 0.005 0.000 1.092 206 N HN 0.394 nan 8.380 nan 0.000 0.516 207 K N 2.108 122.508 120.400 0.000 0.000 2.679 207 K HA 0.325 4.646 4.320 0.001 0.000 0.188 207 K C -1.841 174.760 176.600 0.001 0.000 1.055 207 K CA -1.735 54.553 56.287 0.003 0.000 1.006 207 K CB 2.232 34.739 32.500 0.013 0.000 1.317 207 K HN -0.021 nan 8.250 nan 0.000 0.584 208 P HA -0.247 nan 4.420 nan 0.000 0.214 208 P C 0.903 178.200 177.300 -0.005 0.000 1.172 208 P CA 1.349 64.437 63.100 -0.019 0.000 0.925 208 P CB 0.407 32.090 31.700 -0.028 0.000 0.793 209 E N -0.912 119.287 120.200 -0.002 0.000 2.448 209 E HA -0.095 4.256 4.350 0.001 0.000 0.203 209 E C 1.324 177.935 176.600 0.018 0.000 1.046 209 E CA 1.107 57.511 56.400 0.006 0.000 0.871 209 E CB -0.504 29.199 29.700 0.005 0.000 0.790 209 E HN 0.373 nan 8.360 nan 0.000 0.545 210 T N -2.056 112.512 114.554 0.024 0.000 2.958 210 T HA 0.212 4.563 4.350 0.001 0.000 0.256 210 T C 1.129 175.864 174.700 0.058 0.000 0.983 210 T CA 0.357 62.482 62.100 0.042 0.000 0.924 210 T CB 0.955 69.847 68.868 0.041 0.000 1.136 210 T HN 0.234 nan 8.240 nan 0.000 0.506 211 G N 2.001 110.829 108.800 0.047 0.000 2.203 211 G HA2 -0.055 3.906 3.960 0.001 0.000 0.263 211 G HA3 -0.055 3.906 3.960 0.001 0.000 0.263 211 G C 0.177 175.153 174.900 0.126 0.000 1.012 211 G CA 0.288 45.430 45.100 0.070 0.000 0.749 211 G HN 0.926 nan 8.290 nan 0.000 0.512 212 A N -1.466 121.409 122.820 0.092 0.000 2.309 212 A HA 0.929 5.250 4.320 0.001 0.000 0.317 212 A C -0.291 177.342 177.584 0.081 0.000 1.134 212 A CA -0.231 51.874 52.037 0.114 0.000 0.866 212 A CB 2.082 21.131 19.000 0.081 0.000 1.329 212 A HN 1.177 nan 8.150 nan 0.000 0.477 213 V N 1.591 121.561 119.914 0.093 0.000 2.398 213 V HA 0.279 4.400 4.120 0.001 0.000 0.282 213 V C -0.640 175.474 176.094 0.034 0.000 1.014 213 V CA -0.353 61.984 62.300 0.061 0.000 0.838 213 V CB 0.894 32.770 31.823 0.088 0.000 1.018 213 V HN 0.905 nan 8.190 nan 0.000 0.432 214 E N 5.162 125.371 120.200 0.015 0.000 2.200 214 E HA 0.620 4.971 4.350 0.001 0.000 0.283 214 E C -1.050 175.545 176.600 -0.008 0.000 1.015 214 E CA -0.420 55.981 56.400 0.001 0.000 0.819 214 E CB 1.972 31.670 29.700 -0.002 0.000 1.081 214 E HN 0.504 nan 8.360 nan 0.000 0.397 215 L N 2.648 123.862 121.223 -0.016 0.000 2.346 215 L HA 0.355 4.696 4.340 0.001 0.000 0.274 215 L C -0.062 176.793 176.870 -0.026 0.000 1.007 215 L CA -1.059 53.769 54.840 -0.021 0.000 0.818 215 L CB 1.679 43.723 42.059 -0.025 0.000 1.284 215 L HN 0.356 nan 8.230 nan 0.000 0.424 216 E N 1.701 121.887 120.200 -0.024 0.000 2.089 216 E HA 0.112 4.463 4.350 0.001 0.000 0.284 216 E C 0.357 176.927 176.600 -0.050 0.000 1.023 216 E CA -0.110 56.271 56.400 -0.032 0.000 0.819 216 E CB 1.290 30.975 29.700 -0.025 0.000 1.076 216 E HN 0.667 nan 8.360 nan 0.000 0.396 217 S N 1.842 117.500 115.700 -0.070 0.000 3.294 217 S HA -0.181 4.290 4.470 0.001 0.000 0.361 217 S C -2.269 172.230 174.600 -0.169 0.000 0.935 217 S CA 0.010 58.141 58.200 -0.116 0.000 1.263 217 S CB -1.757 61.369 63.200 -0.123 0.000 0.891 217 S HN 0.256 nan 8.310 nan 0.000 0.487 218 P HA 0.612 nan 4.420 nan 0.000 0.279 218 P C 0.330 177.546 177.300 -0.140 0.000 1.282 218 P CA -0.808 62.261 63.100 -0.053 0.000 0.788 218 P CB 0.323 32.039 31.700 0.027 0.000 1.139 219 F N -0.792 119.150 119.950 -0.015 0.000 2.362 219 F HA 0.473 5.000 4.527 0.001 0.000 0.311 219 F C 0.655 176.451 175.800 -0.005 0.000 1.161 219 F CA -0.094 57.901 58.000 -0.008 0.000 1.085 219 F CB 0.193 39.188 39.000 -0.008 0.000 1.311 219 F HN -0.028 nan 8.300 nan 0.000 0.524 220 I N 2.581 123.268 120.570 0.194 0.000 2.533 220 I HA 0.238 4.409 4.170 0.001 0.000 0.290 220 I C -1.355 174.824 176.117 0.104 0.000 1.056 220 I CA -0.787 60.582 61.300 0.115 0.000 1.057 220 I CB 1.980 40.025 38.000 0.076 0.000 1.240 220 I HN 0.222 nan 8.210 nan 0.000 0.423 221 L N 7.401 128.673 121.223 0.082 0.000 2.307 221 L HA 0.529 4.869 4.340 0.001 0.000 0.282 221 L C -0.738 176.167 176.870 0.058 0.000 1.051 221 L CA -0.334 54.543 54.840 0.062 0.000 0.804 221 L CB 1.463 43.550 42.059 0.047 0.000 1.197 221 L HN 0.653 nan 8.230 nan 0.000 0.431 222 L N 5.868 127.119 121.223 0.047 0.000 2.960 222 L HA 0.369 4.710 4.340 0.001 0.000 0.274 222 L C 0.850 177.736 176.870 0.027 0.000 1.327 222 L CA -0.368 54.496 54.840 0.040 0.000 0.860 222 L CB 0.789 42.871 42.059 0.038 0.000 1.239 222 L HN 0.734 nan 8.230 nan 0.000 0.551 223 A N 0.208 123.045 122.820 0.027 0.000 2.250 223 A HA 0.063 4.383 4.320 0.001 0.000 0.284 223 A C 0.637 178.229 177.584 0.013 0.000 1.269 223 A CA 0.995 53.044 52.037 0.019 0.000 0.834 223 A CB 0.138 19.151 19.000 0.022 0.000 1.146 223 A HN 0.542 nan 8.150 nan 0.000 0.509 224 D N -2.835 117.571 120.400 0.011 0.000 2.640 224 D HA 0.162 4.802 4.640 0.001 0.000 0.282 224 D C -0.176 176.130 176.300 0.009 0.000 1.558 224 D CA 0.050 54.053 54.000 0.007 0.000 0.820 224 D CB -0.105 40.697 40.800 0.003 0.000 1.243 224 D HN 0.672 nan 8.370 nan 0.000 0.456 225 K N -0.704 119.704 120.400 0.013 0.000 2.439 225 K HA 0.634 4.955 4.320 0.001 0.000 0.260 225 K C -1.073 175.539 176.600 0.020 0.000 1.032 225 K CA -1.090 55.206 56.287 0.015 0.000 0.882 225 K CB 1.213 33.721 32.500 0.013 0.000 1.420 225 K HN -0.308 nan 8.250 nan 0.000 0.455 226 K N 1.539 121.951 120.400 0.020 0.000 2.316 226 K HA 0.258 4.579 4.320 0.001 0.000 0.289 226 K C -0.528 176.085 176.600 0.023 0.000 1.070 226 K CA -0.307 55.994 56.287 0.023 0.000 0.928 226 K CB 0.384 32.896 32.500 0.021 0.000 1.039 226 K HN 0.425 nan 8.250 nan 0.000 0.480 227 I N 3.538 124.125 120.570 0.028 0.000 2.294 227 I HA 0.012 4.182 4.170 0.001 0.000 0.295 227 I C 1.201 177.334 176.117 0.026 0.000 1.098 227 I CA 0.268 61.584 61.300 0.027 0.000 1.277 227 I CB -0.088 37.932 38.000 0.032 0.000 1.434 227 I HN 0.713 nan 8.210 nan 0.000 0.498 228 S N 4.888 120.599 115.700 0.020 0.000 2.527 228 S HA 0.087 4.558 4.470 0.001 0.000 0.225 228 S C 0.886 175.495 174.600 0.014 0.000 1.046 228 S CA -0.115 58.095 58.200 0.016 0.000 0.929 228 S CB 0.045 63.253 63.200 0.012 0.000 0.851 228 S HN 0.618 nan 8.310 nan 0.000 0.565 229 N N 1.035 119.742 118.700 0.011 0.000 2.530 229 N HA 0.211 4.952 4.740 0.001 0.000 0.273 229 N C 0.614 176.130 175.510 0.011 0.000 1.173 229 N CA -0.074 52.981 53.050 0.009 0.000 0.967 229 N CB 0.937 39.428 38.487 0.006 0.000 1.109 229 N HN 0.215 nan 8.380 nan 0.000 0.453 230 I N 3.163 123.739 120.570 0.009 0.000 2.286 230 I HA -0.092 4.078 4.170 0.001 0.000 0.245 230 I C 2.451 178.571 176.117 0.005 0.000 1.104 230 I CA 0.570 61.876 61.300 0.010 0.000 1.397 230 I CB -0.722 37.283 38.000 0.009 0.000 1.072 230 I HN 0.623 nan 8.210 nan 0.000 0.417 231 R N 1.409 121.911 120.500 0.003 0.000 2.290 231 R HA -0.403 3.938 4.340 0.001 0.000 0.232 231 R C 2.181 178.480 176.300 -0.002 0.000 1.110 231 R CA 2.964 59.064 56.100 -0.000 0.000 0.871 231 R CB -0.566 29.734 30.300 0.000 0.000 0.964 231 R HN 0.358 nan 8.270 nan 0.000 0.410 232 E N -0.151 120.049 120.200 0.000 0.000 2.233 232 E HA -0.283 4.068 4.350 0.001 0.000 0.210 232 E C 1.890 178.487 176.600 -0.005 0.000 1.046 232 E CA 2.512 58.912 56.400 -0.001 0.000 0.844 232 E CB -0.332 29.369 29.700 0.003 0.000 0.741 232 E HN 0.387 nan 8.360 nan 0.000 0.465 233 M N -0.288 119.310 119.600 -0.004 0.000 2.099 233 M HA -0.038 4.442 4.480 0.001 0.000 0.262 233 M C 1.983 178.271 176.300 -0.019 0.000 1.067 233 M CA 1.220 56.514 55.300 -0.010 0.000 1.124 233 M CB -0.651 31.946 32.600 -0.005 0.000 1.353 233 M HN 0.073 nan 8.290 nan 0.000 0.410 234 L N -0.083 121.131 121.223 -0.015 0.000 2.143 234 L HA -0.342 3.999 4.340 0.001 0.000 0.231 234 L C -0.418 176.436 176.870 -0.027 0.000 1.106 234 L CA 2.172 57.001 54.840 -0.019 0.000 0.827 234 L CB -2.868 39.183 42.059 -0.014 0.000 0.915 234 L HN 0.257 nan 8.230 nan 0.000 0.448 235 P HA -0.168 nan 4.420 nan 0.000 0.210 235 P C 1.818 179.088 177.300 -0.051 0.000 1.189 235 P CA 2.606 65.686 63.100 -0.034 0.000 0.920 235 P CB -0.358 31.326 31.700 -0.027 0.000 0.782 236 V N -1.715 118.166 119.914 -0.055 0.000 2.343 236 V HA -0.200 3.920 4.120 0.001 0.000 0.247 236 V C 2.668 178.703 176.094 -0.098 0.000 1.051 236 V CA 1.882 64.132 62.300 -0.082 0.000 1.036 236 V CB -2.223 29.560 31.823 -0.066 0.000 0.654 236 V HN -0.073 nan 8.190 nan 0.000 0.451 237 L N 1.051 122.234 121.223 -0.066 0.000 2.187 237 L HA -0.132 4.208 4.340 0.001 0.000 0.213 237 L C 2.479 179.308 176.870 -0.068 0.000 1.100 237 L CA 2.451 57.254 54.840 -0.061 0.000 0.765 237 L CB -0.873 41.164 42.059 -0.035 0.000 0.904 237 L HN 0.671 nan 8.230 nan 0.000 0.437 238 E N -1.244 118.916 120.200 -0.066 0.000 2.140 238 E HA -0.073 4.278 4.350 0.001 0.000 0.191 238 E C 2.135 178.684 176.600 -0.085 0.000 0.973 238 E CA 0.679 57.042 56.400 -0.061 0.000 0.829 238 E CB -0.021 29.652 29.700 -0.045 0.000 0.781 238 E HN 0.528 nan 8.360 nan 0.000 0.466 239 A N 1.198 123.950 122.820 -0.113 0.000 1.883 239 A HA -0.177 4.144 4.320 0.001 0.000 0.217 239 A C 2.402 179.856 177.584 -0.218 0.000 1.186 239 A CA 1.968 53.914 52.037 -0.152 0.000 0.624 239 A CB -1.046 17.847 19.000 -0.177 0.000 0.822 239 A HN 0.328 nan 8.150 nan 0.000 0.444 240 V N -2.798 116.952 119.914 -0.272 0.000 2.809 240 V HA 0.110 4.230 4.120 0.001 0.000 0.256 240 V C 2.378 178.393 176.094 -0.133 0.000 1.080 240 V CA 1.509 63.618 62.300 -0.317 0.000 1.102 240 V CB -1.269 30.374 31.823 -0.301 0.000 0.705 240 V HN 0.519 nan 8.190 nan 0.000 0.475 241 A N 1.001 123.763 122.820 -0.096 0.000 1.873 241 A HA -0.110 4.210 4.320 0.001 0.000 0.215 241 A C 2.312 179.874 177.584 -0.036 0.000 1.186 241 A CA 2.000 54.007 52.037 -0.050 0.000 0.616 241 A CB -0.472 18.503 19.000 -0.042 0.000 0.823 241 A HN 0.581 nan 8.150 nan 0.000 0.442 242 K N -0.389 119.983 120.400 -0.047 0.000 2.418 242 K HA 0.221 4.542 4.320 0.001 0.000 0.195 242 K C 1.771 178.360 176.600 -0.018 0.000 1.035 242 K CA 0.567 56.837 56.287 -0.028 0.000 1.003 242 K CB -0.041 32.441 32.500 -0.030 0.000 0.793 242 K HN 0.408 nan 8.250 nan 0.000 0.494 243 A N 0.983 123.778 122.820 -0.042 0.000 2.206 243 A HA 0.082 4.403 4.320 0.001 0.000 0.211 243 A C 1.529 179.167 177.584 0.091 0.000 1.158 243 A CA 0.845 52.887 52.037 0.008 0.000 0.761 243 A CB -0.623 18.291 19.000 -0.143 0.000 0.801 243 A HN 0.384 nan 8.150 nan 0.000 0.473 244 G N -0.558 108.272 108.800 0.050 0.000 2.296 244 G HA2 -0.305 3.656 3.960 0.001 0.000 0.282 244 G HA3 -0.305 3.656 3.960 0.001 0.000 0.282 244 G C 0.162 175.120 174.900 0.096 0.000 1.014 244 G CA 1.173 46.308 45.100 0.058 0.000 0.812 244 G HN 0.645 nan 8.290 nan 0.000 0.508 245 K N -0.385 120.114 120.400 0.166 0.000 2.395 245 K HA 0.560 4.881 4.320 0.001 0.000 0.247 245 K C -2.643 174.070 176.600 0.188 0.000 0.973 245 K CA -2.250 54.165 56.287 0.214 0.000 0.828 245 K CB 2.172 34.911 32.500 0.399 0.000 1.272 245 K HN -0.049 nan 8.250 nan 0.000 0.439 246 P HA 0.204 nan 4.420 nan 0.000 0.275 246 P C -1.285 176.104 177.300 0.149 0.000 1.266 246 P CA -0.669 62.481 63.100 0.083 0.000 0.793 246 P CB 0.540 32.256 31.700 0.028 0.000 1.074 247 L N 1.069 122.334 121.223 0.071 0.000 2.482 247 L HA 0.490 4.831 4.340 0.001 0.000 0.263 247 L C -1.869 175.010 176.870 0.015 0.000 0.957 247 L CA -0.796 54.097 54.840 0.089 0.000 0.836 247 L CB 1.769 43.865 42.059 0.061 0.000 1.324 247 L HN 0.289 nan 8.230 nan 0.000 0.406 248 L N 5.023 126.268 121.223 0.038 0.000 2.330 248 L HA 0.653 4.994 4.340 0.001 0.000 0.271 248 L C -1.021 175.873 176.870 0.040 0.000 1.013 248 L CA -0.550 54.299 54.840 0.014 0.000 0.816 248 L CB 2.129 44.203 42.059 0.025 0.000 1.287 248 L HN 0.679 nan 8.230 nan 0.000 0.435 249 I N 4.001 124.597 120.570 0.043 0.000 2.785 249 I HA 0.508 4.679 4.170 0.001 0.000 0.302 249 I C -0.743 175.432 176.117 0.096 0.000 1.069 249 I CA -0.737 60.601 61.300 0.063 0.000 1.045 249 I CB 2.634 40.665 38.000 0.053 0.000 1.236 249 I HN 0.465 nan 8.210 nan 0.000 0.429 250 I N 3.948 124.571 120.570 0.089 0.000 2.586 250 I HA 0.722 4.893 4.170 0.001 0.000 0.288 250 I C -0.443 175.708 176.117 0.056 0.000 1.147 250 I CA -0.202 61.155 61.300 0.095 0.000 1.047 250 I CB 1.845 39.913 38.000 0.114 0.000 1.244 250 I HN 0.777 nan 8.210 nan 0.000 0.429 251 A N 4.585 127.433 122.820 0.047 0.000 2.457 251 A HA 0.497 4.818 4.320 0.001 0.000 0.305 251 A C 0.328 177.929 177.584 0.028 0.000 1.110 251 A CA -0.502 51.552 52.037 0.029 0.000 0.616 251 A CB 0.749 19.769 19.000 0.033 0.000 1.371 251 A HN 0.510 nan 8.150 nan 0.000 0.525 252 E N 0.538 120.752 120.200 0.024 0.000 2.028 252 E HA -0.152 4.199 4.350 0.001 0.000 0.217 252 E C 0.094 176.716 176.600 0.036 0.000 1.039 252 E CA 2.043 58.459 56.400 0.027 0.000 0.882 252 E CB -0.016 29.699 29.700 0.026 0.000 0.794 252 E HN 0.625 nan 8.360 nan 0.000 0.488 253 D N -2.222 118.202 120.400 0.040 0.000 2.946 253 D HA 0.304 4.945 4.640 0.001 0.000 0.337 253 D C -1.546 174.786 176.300 0.052 0.000 1.332 253 D CA -0.499 53.531 54.000 0.049 0.000 0.935 253 D CB 1.776 42.599 40.800 0.039 0.000 1.440 253 D HN -0.133 nan 8.370 nan 0.000 0.540 254 V N 1.688 121.635 119.914 0.056 0.000 2.559 254 V HA 0.247 4.367 4.120 0.001 0.000 0.289 254 V C -0.875 175.243 176.094 0.041 0.000 1.036 254 V CA -0.742 61.592 62.300 0.055 0.000 0.887 254 V CB 1.498 33.370 31.823 0.083 0.000 1.022 254 V HN 0.365 nan 8.190 nan 0.000 0.442 255 E N 2.366 122.583 120.200 0.028 0.000 2.373 255 E HA 0.381 4.732 4.350 0.001 0.000 0.267 255 E C 1.510 178.116 176.600 0.011 0.000 1.032 255 E CA 0.758 57.167 56.400 0.016 0.000 0.889 255 E CB 1.177 30.884 29.700 0.011 0.000 0.984 255 E HN 0.697 nan 8.360 nan 0.000 0.425 256 G N 2.738 111.536 108.800 -0.002 0.000 2.596 256 G HA2 -0.452 3.509 3.960 0.001 0.000 0.223 256 G HA3 -0.452 3.509 3.960 0.001 0.000 0.223 256 G C 1.307 176.202 174.900 -0.008 0.000 1.120 256 G CA 1.437 46.528 45.100 -0.015 0.000 0.752 256 G HN 0.723 nan 8.290 nan 0.000 0.596 257 E N 0.421 120.619 120.200 -0.003 0.000 2.086 257 E HA -0.195 4.156 4.350 0.001 0.000 0.205 257 E C 2.588 179.191 176.600 0.006 0.000 1.027 257 E CA 1.679 58.079 56.400 -0.000 0.000 0.830 257 E CB -0.324 29.377 29.700 0.002 0.000 0.751 257 E HN 0.444 nan 8.360 nan 0.000 0.456 258 A N 0.403 123.232 122.820 0.015 0.000 2.044 258 A HA 0.115 4.436 4.320 0.001 0.000 0.213 258 A C 2.001 179.609 177.584 0.040 0.000 1.169 258 A CA 0.241 52.292 52.037 0.025 0.000 0.724 258 A CB -0.267 18.750 19.000 0.028 0.000 0.840 258 A HN 0.388 nan 8.150 nan 0.000 0.463 259 L N -0.281 120.964 121.223 0.037 0.000 1.971 259 L HA 0.001 4.342 4.340 0.001 0.000 0.208 259 L C 2.748 179.631 176.870 0.022 0.000 1.083 259 L CA 1.560 56.431 54.840 0.051 0.000 0.753 259 L CB -0.560 41.516 42.059 0.030 0.000 0.893 259 L HN 0.321 nan 8.230 nan 0.000 0.436 260 A N -0.197 122.607 122.820 -0.027 0.000 1.985 260 A HA -0.345 3.975 4.320 0.001 0.000 0.223 260 A C 2.296 179.858 177.584 -0.036 0.000 1.189 260 A CA 3.024 55.020 52.037 -0.067 0.000 0.658 260 A CB -1.603 17.356 19.000 -0.068 0.000 0.820 260 A HN 0.755 nan 8.150 nan 0.000 0.464 261 T N -1.569 112.984 114.554 -0.002 0.000 2.674 261 T HA -0.104 4.246 4.350 0.001 0.000 0.265 261 T C 1.844 176.569 174.700 0.042 0.000 1.039 261 T CA 1.454 63.562 62.100 0.013 0.000 1.150 261 T CB -0.681 68.197 68.868 0.015 0.000 0.864 261 T HN 0.324 nan 8.240 nan 0.000 0.427 262 L N 0.934 122.204 121.223 0.078 0.000 2.046 262 L HA -0.078 4.263 4.340 0.001 0.000 0.208 262 L C 3.020 180.015 176.870 0.208 0.000 1.077 262 L CA 0.935 55.852 54.840 0.128 0.000 0.747 262 L CB -0.811 41.346 42.059 0.164 0.000 0.896 262 L HN 0.180 nan 8.230 nan 0.000 0.432 263 V N -0.527 119.509 119.914 0.202 0.000 2.278 263 V HA -0.306 3.815 4.120 0.001 0.000 0.251 263 V C 2.366 178.526 176.094 0.111 0.000 1.062 263 V CA 1.959 64.350 62.300 0.152 0.000 1.038 263 V CB -0.512 31.207 31.823 -0.173 0.000 0.646 263 V HN 0.234 nan 8.190 nan 0.000 0.447 264 V N 0.357 120.295 119.914 0.040 0.000 2.407 264 V HA -0.186 3.935 4.120 0.001 0.000 0.245 264 V C 2.405 178.534 176.094 0.060 0.000 1.041 264 V CA 1.884 64.208 62.300 0.039 0.000 1.040 264 V CB -0.965 30.862 31.823 0.005 0.000 0.671 264 V HN 0.641 nan 8.190 nan 0.000 0.455 265 N N 0.885 119.620 118.700 0.058 0.000 2.247 265 N HA -0.222 4.519 4.740 0.001 0.000 0.189 265 N C 1.799 177.342 175.510 0.054 0.000 1.009 265 N CA 2.497 55.575 53.050 0.048 0.000 0.872 265 N CB 0.039 38.552 38.487 0.043 0.000 0.980 265 N HN 0.730 nan 8.380 nan 0.000 0.436 266 T N -1.522 113.086 114.554 0.090 0.000 2.980 266 T HA 0.071 4.421 4.350 0.001 0.000 0.239 266 T C 1.419 176.173 174.700 0.091 0.000 1.011 266 T CA 0.182 62.333 62.100 0.085 0.000 1.171 266 T CB -0.555 68.380 68.868 0.111 0.000 0.873 266 T HN 0.261 nan 8.240 nan 0.000 0.431 267 M N 1.932 121.610 119.600 0.131 0.000 2.921 267 M HA 0.525 5.006 4.480 0.001 0.000 0.319 267 M C 0.526 176.869 176.300 0.071 0.000 1.710 267 M CA 0.645 56.013 55.300 0.114 0.000 1.471 267 M CB -1.289 31.413 32.600 0.170 0.000 1.832 267 M HN 0.577 nan 8.290 nan 0.000 0.467 268 R N 1.013 121.542 120.500 0.047 0.000 3.055 268 R HA 0.098 4.438 4.340 0.001 0.000 0.265 268 R C -0.331 175.987 176.300 0.029 0.000 0.947 268 R CA 0.832 56.950 56.100 0.029 0.000 0.652 268 R CB -3.039 27.276 30.300 0.025 0.000 1.367 268 R HN 1.676 nan 8.270 nan 0.000 0.441 269 G N -1.030 107.786 108.800 0.028 0.000 2.692 269 G HA2 0.704 4.665 3.960 0.001 0.000 0.291 269 G HA3 0.704 4.665 3.960 0.001 0.000 0.291 269 G C 0.917 175.826 174.900 0.015 0.000 1.423 269 G CA -0.273 44.841 45.100 0.023 0.000 0.843 269 G HN 0.552 nan 8.290 nan 0.000 0.486 270 I N -0.292 120.285 120.570 0.010 0.000 2.126 270 I HA -0.149 4.021 4.170 0.001 0.000 0.200 270 I C 1.069 177.188 176.117 0.003 0.000 1.014 270 I CA 0.992 62.294 61.300 0.005 0.000 1.339 270 I CB -0.486 37.515 38.000 0.001 0.000 1.086 270 I HN 0.062 nan 8.210 nan 0.000 0.393 271 V N 1.971 121.884 119.914 -0.002 0.000 2.521 271 V HA 0.014 4.135 4.120 0.001 0.000 0.286 271 V C 0.152 176.242 176.094 -0.007 0.000 1.034 271 V CA -0.009 62.287 62.300 -0.007 0.000 1.045 271 V CB 0.378 32.192 31.823 -0.016 0.000 0.974 271 V HN 0.280 nan 8.190 nan 0.000 0.480 272 K N 4.624 125.016 120.400 -0.012 0.000 2.389 272 K HA 0.651 4.972 4.320 0.001 0.000 0.261 272 K C -0.692 175.871 176.600 -0.063 0.000 1.014 272 K CA -0.420 55.853 56.287 -0.023 0.000 0.920 272 K CB 1.352 33.847 32.500 -0.008 0.000 1.149 272 K HN 0.689 nan 8.250 nan 0.000 0.444 273 V N -0.395 119.444 119.914 -0.125 0.000 3.105 273 V HA 1.007 5.127 4.120 0.001 0.000 0.311 273 V C -1.285 174.497 176.094 -0.520 0.000 1.287 273 V CA -0.949 61.226 62.300 -0.209 0.000 1.066 273 V CB 1.597 33.342 31.823 -0.131 0.000 1.105 273 V HN 0.719 nan 8.190 nan 0.000 0.462 274 A N -0.432 122.048 122.820 -0.567 0.000 2.608 274 A HA 1.068 5.389 4.320 0.001 0.000 0.292 274 A C -0.595 176.772 177.584 -0.361 0.000 1.066 274 A CA -0.200 51.202 52.037 -1.058 0.000 0.676 274 A CB 1.196 19.520 19.000 -1.127 0.000 1.277 274 A HN 2.697 nan 8.150 nan 0.000 0.413 275 A N -0.332 122.427 122.820 -0.101 0.000 2.566 275 A HA 0.970 5.291 4.320 0.001 0.000 0.292 275 A C -0.725 177.005 177.584 0.242 0.000 1.112 275 A CA -0.080 52.022 52.037 0.109 0.000 0.707 275 A CB 1.424 20.489 19.000 0.108 0.000 1.302 275 A HN 2.425 nan 8.150 nan 0.000 0.409 276 V N -1.502 118.534 119.914 0.203 0.000 2.932 276 V HA 0.613 4.734 4.120 0.001 0.000 0.307 276 V C -0.450 175.753 176.094 0.182 0.000 1.147 276 V CA -1.208 61.224 62.300 0.219 0.000 0.951 276 V CB 1.152 33.122 31.823 0.245 0.000 1.031 276 V HN 0.975 nan 8.190 nan 0.000 0.426 277 K N 1.994 122.480 120.400 0.143 0.000 2.393 277 K HA 0.472 4.792 4.320 0.001 0.000 0.264 277 K C 0.453 177.083 176.600 0.050 0.000 0.979 277 K CA 0.737 57.076 56.287 0.087 0.000 0.893 277 K CB 0.245 32.784 32.500 0.065 0.000 0.967 277 K HN 1.197 nan 8.250 nan 0.000 0.521 278 A N 2.358 125.162 122.820 -0.027 0.000 2.303 278 A HA 0.393 4.714 4.320 0.001 0.000 0.317 278 A C -2.174 175.261 177.584 -0.249 0.000 1.149 278 A CA -1.660 50.279 52.037 -0.164 0.000 0.822 278 A CB 0.153 19.087 19.000 -0.110 0.000 1.131 278 A HN 0.488 nan 8.150 nan 0.000 0.493 279 P HA 0.315 nan 4.420 nan 0.000 0.269 279 P C 0.640 177.846 177.300 -0.157 0.000 1.217 279 P CA 1.387 64.241 63.100 -0.411 0.000 0.783 279 P CB 0.336 31.610 31.700 -0.710 0.000 0.898 280 G N 1.110 109.900 108.800 -0.016 0.000 2.915 280 G HA2 -0.064 3.896 3.960 0.001 0.000 0.337 280 G HA3 -0.064 3.896 3.960 0.001 0.000 0.337 280 G C -0.815 174.203 174.900 0.198 0.000 1.477 280 G CA -0.146 45.009 45.100 0.091 0.000 0.916 280 G HN 0.683 nan 8.290 nan 0.000 0.550 281 F N -1.027 118.906 119.950 -0.029 0.000 2.565 281 F HA 0.820 5.348 4.527 0.001 0.000 0.313 281 F C 0.956 176.751 175.800 -0.009 0.000 1.091 281 F CA -0.286 57.704 58.000 -0.017 0.000 0.915 281 F CB 1.116 40.115 39.000 -0.002 0.000 1.208 281 F HN 2.343 nan 8.300 nan 0.000 0.453 282 G N 2.248 111.080 108.800 0.054 0.000 2.566 282 G HA2 -0.337 3.623 3.960 0.001 0.000 0.280 282 G HA3 -0.337 3.623 3.960 0.001 0.000 0.280 282 G C 0.546 175.388 174.900 -0.097 0.000 1.225 282 G CA 0.578 45.662 45.100 -0.026 0.000 0.966 282 G HN 0.822 nan 8.290 nan 0.000 0.560 283 D N 0.245 120.576 120.400 -0.114 0.000 2.200 283 D HA -0.189 4.452 4.640 0.001 0.000 0.192 283 D C 2.412 178.632 176.300 -0.134 0.000 1.008 283 D CA 1.918 55.853 54.000 -0.108 0.000 0.872 283 D CB -0.199 40.539 40.800 -0.104 0.000 0.923 283 D HN 0.363 nan 8.370 nan 0.000 0.447 284 R N 0.832 121.205 120.500 -0.211 0.000 2.097 284 R HA -0.155 4.185 4.340 0.001 0.000 0.236 284 R C 2.373 178.589 176.300 -0.139 0.000 1.135 284 R CA 1.911 57.888 56.100 -0.205 0.000 0.934 284 R CB -0.530 29.586 30.300 -0.306 0.000 0.846 284 R HN 0.371 nan 8.270 nan 0.000 0.431 285 R N 0.856 121.284 120.500 -0.120 0.000 2.133 285 R HA -0.210 4.130 4.340 0.001 0.000 0.247 285 R C 1.576 177.831 176.300 -0.076 0.000 1.151 285 R CA 1.657 57.704 56.100 -0.088 0.000 0.971 285 R CB -0.497 29.770 30.300 -0.053 0.000 0.866 285 R HN 0.037 nan 8.270 nan 0.000 0.447 286 K N 1.072 121.432 120.400 -0.067 0.000 1.998 286 K HA -0.236 4.085 4.320 0.001 0.000 0.228 286 K C 2.305 178.875 176.600 -0.049 0.000 1.053 286 K CA 2.185 58.441 56.287 -0.051 0.000 0.988 286 K CB -0.965 31.505 32.500 -0.050 0.000 0.735 286 K HN 0.406 nan 8.250 nan 0.000 0.448 287 A N 1.726 124.513 122.820 -0.056 0.000 1.858 287 A HA -0.181 4.140 4.320 0.001 0.000 0.216 287 A C 2.311 179.865 177.584 -0.049 0.000 1.190 287 A CA 1.992 54.000 52.037 -0.048 0.000 0.617 287 A CB -0.450 18.518 19.000 -0.053 0.000 0.827 287 A HN 0.252 nan 8.150 nan 0.000 0.443 288 M N -1.199 118.361 119.600 -0.068 0.000 2.758 288 M HA -0.280 4.200 4.480 0.001 0.000 0.262 288 M C 2.227 178.488 176.300 -0.065 0.000 1.052 288 M CA 2.220 57.473 55.300 -0.078 0.000 1.059 288 M CB -1.477 31.052 32.600 -0.118 0.000 1.265 288 M HN 0.489 nan 8.290 nan 0.000 0.486 289 L N 0.504 121.685 121.223 -0.070 0.000 2.012 289 L HA -0.239 4.102 4.340 0.001 0.000 0.210 289 L C 2.522 179.384 176.870 -0.013 0.000 1.073 289 L CA 2.166 56.980 54.840 -0.044 0.000 0.748 289 L CB -1.007 41.030 42.059 -0.037 0.000 0.891 289 L HN 0.376 nan 8.230 nan 0.000 0.431 290 Q N 0.119 119.908 119.800 -0.017 0.000 2.062 290 Q HA -0.281 4.060 4.340 0.001 0.000 0.209 290 Q C 1.793 177.793 176.000 0.000 0.000 0.996 290 Q CA 2.559 58.358 55.803 -0.008 0.000 0.859 290 Q CB -0.629 28.101 28.738 -0.014 0.000 0.920 290 Q HN 0.660 nan 8.270 nan 0.000 0.415 291 D N -0.346 120.052 120.400 -0.003 0.000 2.133 291 D HA -0.205 4.435 4.640 0.001 0.000 0.192 291 D C 1.817 178.131 176.300 0.024 0.000 1.001 291 D CA 1.917 55.921 54.000 0.007 0.000 0.844 291 D CB -0.265 40.539 40.800 0.006 0.000 0.944 291 D HN 0.396 nan 8.370 nan 0.000 0.447 292 I N 0.781 121.373 120.570 0.036 0.000 2.142 292 I HA -0.279 3.891 4.170 0.001 0.000 0.240 292 I C 2.518 178.663 176.117 0.045 0.000 1.078 292 I CA 1.037 62.374 61.300 0.062 0.000 1.343 292 I CB -0.471 37.587 38.000 0.095 0.000 1.046 292 I HN -0.007 nan 8.210 nan 0.000 0.405 293 A N 0.933 123.774 122.820 0.034 0.000 1.869 293 A HA -0.307 4.014 4.320 0.001 0.000 0.218 293 A C 2.391 179.989 177.584 0.023 0.000 1.203 293 A CA 3.061 55.115 52.037 0.029 0.000 0.638 293 A CB -1.454 17.558 19.000 0.021 0.000 0.831 293 A HN 0.427 nan 8.150 nan 0.000 0.450 294 T N -0.105 114.460 114.554 0.017 0.000 2.620 294 T HA -0.258 4.093 4.350 0.001 0.000 0.267 294 T C 1.801 176.508 174.700 0.013 0.000 1.044 294 T CA 1.931 64.039 62.100 0.012 0.000 1.161 294 T CB -0.526 68.347 68.868 0.009 0.000 0.862 294 T HN 0.379 nan 8.240 nan 0.000 0.438 295 L N 1.393 122.627 121.223 0.018 0.000 2.141 295 L HA -0.018 4.322 4.340 0.001 0.000 0.209 295 L C 2.459 179.336 176.870 0.011 0.000 1.094 295 L CA 2.167 57.016 54.840 0.016 0.000 0.763 295 L CB -0.947 41.127 42.059 0.024 0.000 0.908 295 L HN 0.486 nan 8.230 nan 0.000 0.437 296 T N -4.235 110.329 114.554 0.017 0.000 3.060 296 T HA 0.312 4.662 4.350 0.001 0.000 0.249 296 T C 1.339 176.044 174.700 0.010 0.000 1.079 296 T CA 0.231 62.338 62.100 0.011 0.000 1.013 296 T CB -0.298 68.584 68.868 0.023 0.000 0.975 296 T HN 0.589 nan 8.240 nan 0.000 0.518 297 G N 0.727 109.535 108.800 0.013 0.000 2.246 297 G HA2 0.033 3.994 3.960 0.001 0.000 0.273 297 G HA3 0.033 3.994 3.960 0.001 0.000 0.273 297 G C 0.273 175.188 174.900 0.025 0.000 1.055 297 G CA -0.199 44.909 45.100 0.014 0.000 0.851 297 G HN 1.038 nan 8.290 nan 0.000 0.500 298 G N -1.370 107.448 108.800 0.030 0.000 2.471 298 G HA2 0.721 4.682 3.960 0.001 0.000 0.332 298 G HA3 0.721 4.682 3.960 0.001 0.000 0.332 298 G C -0.239 174.681 174.900 0.033 0.000 1.176 298 G CA 0.082 45.206 45.100 0.040 0.000 0.949 298 G HN 0.520 nan 8.290 nan 0.000 0.488 299 T N 0.601 115.175 114.554 0.034 0.000 2.767 299 T HA 0.432 4.782 4.350 0.001 0.000 0.284 299 T C 0.453 175.166 174.700 0.023 0.000 0.973 299 T CA -0.310 61.805 62.100 0.025 0.000 0.996 299 T CB 1.273 70.155 68.868 0.023 0.000 0.927 299 T HN 0.752 nan 8.240 nan 0.000 0.456 300 V N 1.779 121.703 119.914 0.016 0.000 2.461 300 V HA 0.513 4.634 4.120 0.001 0.000 0.275 300 V C -0.225 175.875 176.094 0.010 0.000 1.047 300 V CA -0.804 61.504 62.300 0.013 0.000 0.955 300 V CB 0.024 31.851 31.823 0.007 0.000 0.988 300 V HN 0.645 nan 8.190 nan 0.000 0.471 301 I N 4.708 125.285 120.570 0.011 0.000 2.256 301 I HA 0.310 4.480 4.170 0.001 0.000 0.294 301 I C 0.719 176.840 176.117 0.006 0.000 1.127 301 I CA 0.661 61.966 61.300 0.009 0.000 1.247 301 I CB 0.308 38.314 38.000 0.010 0.000 1.460 301 I HN 0.672 nan 8.210 nan 0.000 0.511 302 S N 4.976 120.678 115.700 0.004 0.000 2.457 302 S HA 0.261 4.731 4.470 0.001 0.000 0.289 302 S C 1.100 175.702 174.600 0.002 0.000 1.163 302 S CA -0.672 57.530 58.200 0.002 0.000 1.078 302 S CB 1.227 64.427 63.200 -0.001 0.000 0.987 302 S HN 0.438 nan 8.310 nan 0.000 0.482 303 E N 2.143 122.345 120.200 0.003 0.000 2.418 303 E HA -0.080 4.271 4.350 0.001 0.000 0.197 303 E C 0.474 177.075 176.600 0.002 0.000 1.026 303 E CA 0.575 56.977 56.400 0.003 0.000 0.862 303 E CB 0.025 29.727 29.700 0.004 0.000 0.799 303 E HN 0.712 nan 8.360 nan 0.000 0.518 304 E N 0.122 120.323 120.200 0.001 0.000 2.416 304 E HA 0.101 4.451 4.350 0.001 0.000 0.189 304 E C 1.090 177.689 176.600 -0.001 0.000 1.091 304 E CA 0.038 56.438 56.400 -0.000 0.000 0.889 304 E CB 0.174 29.873 29.700 -0.002 0.000 1.015 304 E HN 0.248 nan 8.360 nan 0.000 0.479 305 I N -1.984 118.586 120.570 0.000 0.000 4.779 305 I HA 0.202 4.373 4.170 0.001 0.000 0.339 305 I C 1.420 177.538 176.117 0.001 0.000 1.293 305 I CA 0.137 61.437 61.300 0.000 0.000 1.324 305 I CB 1.147 39.147 38.000 0.000 0.000 1.424 305 I HN 0.235 nan 8.210 nan 0.000 0.489 306 G N 2.490 111.290 108.800 0.001 0.000 2.358 306 G HA2 -0.306 3.655 3.960 0.001 0.000 0.224 306 G HA3 -0.306 3.655 3.960 0.001 0.000 0.224 306 G C 0.584 175.485 174.900 0.001 0.000 1.073 306 G CA 0.140 45.241 45.100 0.001 0.000 0.635 306 G HN 0.349 nan 8.290 nan 0.000 0.509 307 M N 1.264 120.865 119.600 0.002 0.000 2.290 307 M HA 0.566 5.047 4.480 0.001 0.000 0.356 307 M C 0.244 176.545 176.300 0.002 0.000 1.448 307 M CA 0.812 56.113 55.300 0.002 0.000 0.993 307 M CB 0.467 33.068 32.600 0.003 0.000 1.934 307 M HN 0.370 nan 8.290 nan 0.000 0.461 308 E N 2.997 123.198 120.200 0.001 0.000 2.285 308 E HA 0.374 4.725 4.350 0.001 0.000 0.254 308 E C 0.274 176.874 176.600 0.001 0.000 1.011 308 E CA -0.777 55.625 56.400 0.002 0.000 0.873 308 E CB 1.297 30.997 29.700 0.001 0.000 1.229 308 E HN 0.917 nan 8.360 nan 0.000 0.422 309 L N 0.690 121.914 121.223 0.001 0.000 2.044 309 L HA -0.111 4.229 4.340 0.001 0.000 0.205 309 L C 2.209 179.076 176.870 -0.005 0.000 1.075 309 L CA 1.146 55.986 54.840 -0.000 0.000 0.747 309 L CB -0.524 41.536 42.059 0.002 0.000 0.903 309 L HN 0.620 nan 8.230 nan 0.000 0.435 310 E N 0.684 120.881 120.200 -0.005 0.000 2.171 310 E HA -0.201 4.150 4.350 0.001 0.000 0.197 310 E C 0.609 177.204 176.600 -0.009 0.000 0.997 310 E CA 1.055 57.450 56.400 -0.008 0.000 0.810 310 E CB -0.095 29.602 29.700 -0.006 0.000 0.738 310 E HN 0.243 nan 8.360 nan 0.000 0.467 311 K N 0.734 121.130 120.400 -0.006 0.000 3.006 311 K HA 0.318 4.639 4.320 0.001 0.000 0.265 311 K C -0.914 175.683 176.600 -0.005 0.000 1.279 311 K CA -0.049 56.235 56.287 -0.005 0.000 1.229 311 K CB 0.883 33.382 32.500 -0.002 0.000 1.555 311 K HN 0.085 nan 8.250 nan 0.000 0.300 312 A N -0.222 122.593 122.820 -0.008 0.000 2.577 312 A HA 0.679 4.999 4.320 0.001 0.000 0.297 312 A C -0.671 176.902 177.584 -0.018 0.000 1.060 312 A CA -0.728 51.304 52.037 -0.008 0.000 0.697 312 A CB 1.296 20.293 19.000 -0.005 0.000 1.281 312 A HN 0.211 nan 8.150 nan 0.000 0.402 313 T N 1.547 116.092 114.554 -0.015 0.000 2.907 313 T HA 0.462 4.812 4.350 0.001 0.000 0.290 313 T C 1.107 175.794 174.700 -0.022 0.000 1.066 313 T CA -0.559 61.525 62.100 -0.027 0.000 1.012 313 T CB 1.014 69.871 68.868 -0.018 0.000 1.184 313 T HN 0.479 nan 8.240 nan 0.000 0.522 314 L N 1.167 122.362 121.223 -0.047 0.000 2.151 314 L HA -0.206 4.134 4.340 0.001 0.000 0.215 314 L C 2.569 179.478 176.870 0.065 0.000 1.084 314 L CA 1.857 56.684 54.840 -0.023 0.000 0.764 314 L CB -1.160 40.863 42.059 -0.060 0.000 0.891 314 L HN 0.852 nan 8.230 nan 0.000 0.435 315 E N -0.861 119.364 120.200 0.043 0.000 2.267 315 E HA -0.235 4.116 4.350 0.001 0.000 0.197 315 E C 0.832 177.460 176.600 0.047 0.000 0.998 315 E CA 1.462 57.891 56.400 0.048 0.000 0.830 315 E CB -0.387 29.330 29.700 0.028 0.000 0.751 315 E HN 0.582 nan 8.360 nan 0.000 0.491 316 D N 0.303 120.727 120.400 0.040 0.000 2.350 316 D HA 0.087 4.727 4.640 0.001 0.000 0.213 316 D C 0.064 176.397 176.300 0.055 0.000 1.031 316 D CA 0.083 54.105 54.000 0.037 0.000 0.861 316 D CB 0.293 41.106 40.800 0.022 0.000 0.926 316 D HN 0.129 nan 8.370 nan 0.000 0.520 317 L N 0.748 122.023 121.223 0.087 0.000 2.399 317 L HA 0.430 4.771 4.340 0.001 0.000 0.266 317 L C 1.284 178.227 176.870 0.122 0.000 1.114 317 L CA -0.357 54.559 54.840 0.128 0.000 0.804 317 L CB 1.191 43.383 42.059 0.222 0.000 1.146 317 L HN -0.172 nan 8.230 nan 0.000 0.451 318 G N 0.675 109.534 108.800 0.098 0.000 2.511 318 G HA2 0.674 4.635 3.960 0.001 0.000 0.316 318 G HA3 0.674 4.635 3.960 0.001 0.000 0.316 318 G C -1.056 173.861 174.900 0.028 0.000 1.210 318 G CA -0.329 44.805 45.100 0.056 0.000 0.969 318 G HN 0.517 nan 8.290 nan 0.000 0.492 319 Q N -1.605 118.182 119.800 -0.021 0.000 2.435 319 Q HA 0.604 4.944 4.340 0.001 0.000 0.282 319 Q C -1.129 174.827 176.000 -0.073 0.000 1.020 319 Q CA -0.829 54.920 55.803 -0.091 0.000 0.820 319 Q CB 2.667 31.300 28.738 -0.175 0.000 1.436 319 Q HN 0.891 nan 8.270 nan 0.000 0.395 320 A N 0.818 123.583 122.820 -0.091 0.000 2.594 320 A HA 0.424 4.745 4.320 0.001 0.000 0.295 320 A C -0.454 177.079 177.584 -0.084 0.000 1.071 320 A CA -0.657 51.339 52.037 -0.069 0.000 0.685 320 A CB 1.382 20.355 19.000 -0.045 0.000 1.285 320 A HN 0.727 nan 8.150 nan 0.000 0.405 321 K N -0.013 120.346 120.400 -0.069 0.000 2.148 321 K HA 0.017 4.337 4.320 0.001 0.000 0.204 321 K C 0.805 177.370 176.600 -0.058 0.000 1.050 321 K CA 1.116 57.362 56.287 -0.067 0.000 0.942 321 K CB 0.112 32.580 32.500 -0.053 0.000 0.724 321 K HN 0.586 nan 8.250 nan 0.000 0.446 322 R N -0.984 119.486 120.500 -0.051 0.000 2.906 322 R HA 0.570 4.910 4.340 0.001 0.000 0.258 322 R C -1.786 174.488 176.300 -0.043 0.000 1.156 322 R CA -0.870 55.204 56.100 -0.043 0.000 0.996 322 R CB 2.597 32.875 30.300 -0.038 0.000 1.259 322 R HN -0.121 nan 8.270 nan 0.000 0.462 323 V N 0.881 120.772 119.914 -0.039 0.000 2.769 323 V HA 0.338 4.459 4.120 0.001 0.000 0.247 323 V C -1.961 174.113 176.094 -0.033 0.000 1.794 323 V CA -0.674 61.599 62.300 -0.044 0.000 0.860 323 V CB 1.676 33.475 31.823 -0.040 0.000 1.327 323 V HN 0.604 nan 8.190 nan 0.000 0.476 324 V N 4.919 124.810 119.914 -0.038 0.000 2.841 324 V HA 0.939 5.060 4.120 0.001 0.000 0.310 324 V C -0.999 175.090 176.094 -0.009 0.000 1.090 324 V CA -0.683 61.610 62.300 -0.012 0.000 0.930 324 V CB 1.909 33.725 31.823 -0.010 0.000 1.014 324 V HN 0.836 nan 8.190 nan 0.000 0.425 325 I N 4.204 124.804 120.570 0.051 0.000 2.785 325 I HA 0.662 4.832 4.170 0.001 0.000 0.302 325 I C -0.110 176.105 176.117 0.164 0.000 1.069 325 I CA -0.342 61.010 61.300 0.087 0.000 1.045 325 I CB 2.280 40.378 38.000 0.164 0.000 1.236 325 I HN 1.023 nan 8.210 nan 0.000 0.429 326 N N 3.070 121.835 118.700 0.108 0.000 3.167 326 N HA 0.299 5.040 4.740 0.001 0.000 0.323 326 N C 0.542 175.976 175.510 -0.126 0.000 1.478 326 N CA -0.761 52.368 53.050 0.131 0.000 0.753 326 N CB 1.119 39.648 38.487 0.068 0.000 1.721 326 N HN 0.550 nan 8.380 nan 0.000 0.618 327 K N -0.501 119.831 120.400 -0.112 0.000 2.163 327 K HA -0.227 4.093 4.320 0.001 0.000 0.210 327 K C -0.525 175.780 176.600 -0.492 0.000 1.048 327 K CA 2.711 58.758 56.287 -0.401 0.000 0.928 327 K CB -0.314 32.140 32.500 -0.076 0.000 0.716 327 K HN 0.760 nan 8.250 nan 0.000 0.459 328 D N -1.621 118.629 120.400 -0.251 0.000 3.120 328 D HA 0.113 4.754 4.640 0.001 0.000 0.331 328 D C -1.042 175.221 176.300 -0.062 0.000 1.595 328 D CA -0.438 53.469 54.000 -0.155 0.000 0.771 328 D CB 0.344 41.092 40.800 -0.087 0.000 1.274 328 D HN -0.070 nan 8.370 nan 0.000 0.503 329 T N -0.238 114.277 114.554 -0.065 0.000 3.291 329 T HA 0.486 4.837 4.350 0.001 0.000 0.344 329 T C -1.044 173.601 174.700 -0.092 0.000 1.293 329 T CA -0.435 61.640 62.100 -0.042 0.000 1.108 329 T CB 2.050 70.900 68.868 -0.030 0.000 1.231 329 T HN -0.067 nan 8.240 nan 0.000 0.474 330 T N 2.288 116.708 114.554 -0.223 0.000 2.797 330 T HA 0.717 5.068 4.350 0.001 0.000 0.279 330 T C -0.389 173.997 174.700 -0.524 0.000 0.991 330 T CA -0.611 61.273 62.100 -0.360 0.000 0.979 330 T CB 1.603 70.195 68.868 -0.458 0.000 0.943 330 T HN 0.644 nan 8.240 nan 0.000 0.444 331 T N 3.820 118.190 114.554 -0.306 0.000 3.031 331 T HA 0.569 4.920 4.350 0.001 0.000 0.305 331 T C -0.297 174.307 174.700 -0.161 0.000 0.985 331 T CA -0.874 61.076 62.100 -0.249 0.000 1.008 331 T CB -0.010 68.765 68.868 -0.156 0.000 1.005 331 T HN 0.601 nan 8.240 nan 0.000 0.444 332 I N 2.985 123.468 120.570 -0.146 0.000 2.577 332 I HA 0.709 4.879 4.170 0.001 0.000 0.300 332 I C -0.743 175.340 176.117 -0.058 0.000 0.990 332 I CA -1.127 60.124 61.300 -0.082 0.000 1.283 332 I CB 1.276 39.244 38.000 -0.053 0.000 1.411 332 I HN 0.531 nan 8.210 nan 0.000 0.515 333 I N 2.911 123.453 120.570 -0.047 0.000 2.478 333 I HA 0.290 4.461 4.170 0.001 0.000 0.287 333 I C -0.999 175.097 176.117 -0.036 0.000 1.042 333 I CA -0.459 60.817 61.300 -0.039 0.000 1.067 333 I CB 1.584 39.560 38.000 -0.040 0.000 1.233 333 I HN 0.697 nan 8.210 nan 0.000 0.431 334 D N 4.962 125.344 120.400 -0.030 0.000 3.620 334 D HA -0.116 4.524 4.640 0.001 0.000 0.237 334 D C -0.056 176.225 176.300 -0.031 0.000 1.111 334 D CA 0.962 54.945 54.000 -0.029 0.000 1.070 334 D CB -0.114 40.667 40.800 -0.032 0.000 0.891 334 D HN 0.842 nan 8.370 nan 0.000 0.412 335 G N 1.188 109.974 108.800 -0.023 0.000 2.395 335 G HA2 0.448 4.409 3.960 0.001 0.000 0.283 335 G HA3 0.448 4.409 3.960 0.001 0.000 0.283 335 G C 1.362 176.249 174.900 -0.023 0.000 1.178 335 G CA -0.360 44.727 45.100 -0.021 0.000 0.837 335 G HN 0.359 nan 8.290 nan 0.000 0.518 336 V N 2.253 122.149 119.914 -0.029 0.000 3.444 336 V HA 0.030 4.151 4.120 0.001 0.000 0.271 336 V C 2.038 178.123 176.094 -0.015 0.000 1.188 336 V CA 0.603 62.887 62.300 -0.028 0.000 1.168 336 V CB -1.230 30.569 31.823 -0.039 0.000 0.810 336 V HN 0.782 nan 8.190 nan 0.000 0.500 337 G N 1.228 110.023 108.800 -0.008 0.000 2.265 337 G HA2 0.053 4.014 3.960 0.001 0.000 0.240 337 G HA3 0.053 4.014 3.960 0.001 0.000 0.240 337 G C 0.074 174.972 174.900 -0.004 0.000 1.270 337 G CA -0.247 44.851 45.100 -0.002 0.000 0.901 337 G HN 0.323 nan 8.290 nan 0.000 0.507 338 E N 2.202 122.401 120.200 -0.002 0.000 2.465 338 E HA -0.032 4.318 4.350 0.001 0.000 0.260 338 E C 1.293 177.892 176.600 -0.002 0.000 0.980 338 E CA -0.149 56.249 56.400 -0.003 0.000 0.927 338 E CB 0.802 30.501 29.700 -0.001 0.000 0.934 338 E HN 0.557 nan 8.360 nan 0.000 0.459 339 E N 2.577 122.775 120.200 -0.004 0.000 2.097 339 E HA -0.243 4.108 4.350 0.001 0.000 0.196 339 E C 1.755 178.353 176.600 -0.002 0.000 1.000 339 E CA 1.542 57.940 56.400 -0.003 0.000 0.804 339 E CB -0.253 29.445 29.700 -0.004 0.000 0.740 339 E HN 0.606 nan 8.360 nan 0.000 0.454 340 A N 1.717 124.536 122.820 -0.002 0.000 1.873 340 A HA -0.207 4.114 4.320 0.001 0.000 0.218 340 A C 2.477 180.060 177.584 -0.001 0.000 1.193 340 A CA 2.796 54.832 52.037 -0.002 0.000 0.629 340 A CB -0.900 18.099 19.000 -0.002 0.000 0.826 340 A HN 0.308 nan 8.150 nan 0.000 0.447 341 A N -0.054 122.765 122.820 -0.001 0.000 1.841 341 A HA -0.120 4.201 4.320 0.001 0.000 0.216 341 A C 2.146 179.730 177.584 0.000 0.000 1.199 341 A CA 1.669 53.706 52.037 0.000 0.000 0.621 341 A CB -0.830 18.172 19.000 0.002 0.000 0.835 341 A HN 0.527 nan 8.150 nan 0.000 0.445 342 I N -0.477 120.094 120.570 0.001 0.000 2.053 342 I HA -0.366 3.804 4.170 0.001 0.000 0.236 342 I C 2.802 178.919 176.117 -0.000 0.000 1.038 342 I CA 1.775 63.075 61.300 0.001 0.000 1.304 342 I CB -0.727 37.273 38.000 0.001 0.000 1.023 342 I HN 0.350 nan 8.210 nan 0.000 0.395 343 Q N 0.887 120.686 119.800 -0.001 0.000 2.096 343 Q HA -0.215 4.126 4.340 0.001 0.000 0.208 343 Q C 2.288 178.287 176.000 -0.003 0.000 0.993 343 Q CA 2.103 57.904 55.803 -0.002 0.000 0.862 343 Q CB -1.338 27.399 28.738 -0.002 0.000 0.915 343 Q HN 0.709 nan 8.270 nan 0.000 0.416 344 G N 0.861 109.659 108.800 -0.002 0.000 2.459 344 G HA2 -0.352 3.609 3.960 0.001 0.000 0.217 344 G HA3 -0.352 3.609 3.960 0.001 0.000 0.217 344 G C 1.612 176.510 174.900 -0.004 0.000 1.183 344 G CA 1.125 46.223 45.100 -0.003 0.000 0.776 344 G HN 0.315 nan 8.290 nan 0.000 0.552 345 R N 0.252 120.750 120.500 -0.003 0.000 2.134 345 R HA -0.130 4.210 4.340 0.001 0.000 0.248 345 R C 2.668 178.965 176.300 -0.006 0.000 1.143 345 R CA 1.864 57.961 56.100 -0.004 0.000 0.957 345 R CB -1.025 29.273 30.300 -0.003 0.000 0.867 345 R HN 0.253 nan 8.270 nan 0.000 0.441 346 V N 0.665 120.576 119.914 -0.005 0.000 2.231 346 V HA -0.335 3.785 4.120 0.001 0.000 0.248 346 V C 2.408 178.498 176.094 -0.007 0.000 1.054 346 V CA 2.233 64.529 62.300 -0.006 0.000 1.015 346 V CB -1.296 30.525 31.823 -0.004 0.000 0.638 346 V HN 0.603 nan 8.190 nan 0.000 0.444 347 A N -0.644 122.172 122.820 -0.006 0.000 1.884 347 A HA -0.385 3.935 4.320 0.001 0.000 0.219 347 A C 2.153 179.733 177.584 -0.008 0.000 1.197 347 A CA 2.634 54.667 52.037 -0.006 0.000 0.637 347 A CB -0.705 18.292 19.000 -0.005 0.000 0.827 347 A HN 0.697 nan 8.150 nan 0.000 0.450 348 Q N -0.502 119.293 119.800 -0.008 0.000 1.998 348 Q HA -0.222 4.118 4.340 0.001 0.000 0.209 348 Q C 2.163 178.155 176.000 -0.013 0.000 1.002 348 Q CA 1.974 57.770 55.803 -0.010 0.000 0.858 348 Q CB -0.531 28.201 28.738 -0.011 0.000 0.932 348 Q HN 0.766 nan 8.270 nan 0.000 0.416 349 I N 0.475 121.036 120.570 -0.015 0.000 2.087 349 I HA -0.361 3.810 4.170 0.001 0.000 0.240 349 I C 2.488 178.594 176.117 -0.018 0.000 1.054 349 I CA 1.153 62.441 61.300 -0.019 0.000 1.311 349 I CB -0.553 37.435 38.000 -0.019 0.000 1.024 349 I HN 0.215 nan 8.210 nan 0.000 0.402 350 R N 0.714 121.205 120.500 -0.014 0.000 2.168 350 R HA -0.298 4.043 4.340 0.001 0.000 0.242 350 R C 2.131 178.423 176.300 -0.012 0.000 1.123 350 R CA 2.060 58.153 56.100 -0.012 0.000 0.928 350 R CB -1.325 28.970 30.300 -0.009 0.000 0.873 350 R HN 0.564 nan 8.270 nan 0.000 0.434 351 Q N 0.874 120.668 119.800 -0.011 0.000 1.998 351 Q HA -0.269 4.072 4.340 0.001 0.000 0.209 351 Q C 2.132 178.125 176.000 -0.013 0.000 1.002 351 Q CA 2.302 58.099 55.803 -0.010 0.000 0.858 351 Q CB -0.131 28.602 28.738 -0.009 0.000 0.932 351 Q HN 0.473 nan 8.270 nan 0.000 0.416 352 Q N -0.103 119.688 119.800 -0.016 0.000 2.224 352 Q HA -0.222 4.119 4.340 0.001 0.000 0.213 352 Q C 2.033 178.020 176.000 -0.020 0.000 0.998 352 Q CA 1.861 57.652 55.803 -0.019 0.000 0.895 352 Q CB -0.413 28.311 28.738 -0.024 0.000 0.926 352 Q HN 0.566 nan 8.270 nan 0.000 0.417 353 I N 1.360 121.918 120.570 -0.020 0.000 3.010 353 I HA -0.226 3.944 4.170 0.001 0.000 0.271 353 I C 2.347 178.456 176.117 -0.014 0.000 1.293 353 I CA 0.798 62.086 61.300 -0.020 0.000 1.452 353 I CB -0.667 37.321 38.000 -0.019 0.000 1.082 353 I HN 0.346 nan 8.210 nan 0.000 0.484 354 E N 1.482 121.675 120.200 -0.011 0.000 2.051 354 E HA -0.281 4.070 4.350 0.001 0.000 0.192 354 E C 1.624 178.220 176.600 -0.006 0.000 0.991 354 E CA 1.322 57.718 56.400 -0.008 0.000 0.799 354 E CB -0.361 29.335 29.700 -0.007 0.000 0.748 354 E HN 0.355 nan 8.360 nan 0.000 0.449 355 E N 1.285 121.480 120.200 -0.008 0.000 2.164 355 E HA -0.227 4.124 4.350 0.001 0.000 0.206 355 E C 1.438 178.036 176.600 -0.002 0.000 1.032 355 E CA 1.826 58.222 56.400 -0.006 0.000 0.832 355 E CB -0.662 29.033 29.700 -0.008 0.000 0.742 355 E HN 0.540 nan 8.360 nan 0.000 0.460 356 A N -0.485 122.333 122.820 -0.004 0.000 2.711 356 A HA -0.340 3.981 4.320 0.001 0.000 0.304 356 A C 1.500 179.089 177.584 0.007 0.000 1.495 356 A CA 1.589 53.627 52.037 0.001 0.000 0.971 356 A CB -2.324 16.677 19.000 0.002 0.000 0.935 356 A HN 0.307 nan 8.150 nan 0.000 0.526 357 T N -0.862 113.696 114.554 0.007 0.000 3.155 357 T HA 0.275 4.625 4.350 0.001 0.000 0.264 357 T C 0.663 175.378 174.700 0.024 0.000 1.160 357 T CA 1.413 63.520 62.100 0.013 0.000 1.075 357 T CB -0.202 68.672 68.868 0.010 0.000 0.921 357 T HN 1.314 nan 8.240 nan 0.000 0.533 358 S N -0.475 115.243 115.700 0.030 0.000 2.558 358 S HA 0.252 4.722 4.470 0.001 0.000 0.277 358 S C -0.948 173.687 174.600 0.058 0.000 1.143 358 S CA -0.763 57.470 58.200 0.055 0.000 0.865 358 S CB 1.349 64.602 63.200 0.088 0.000 1.102 358 S HN 0.013 nan 8.310 nan 0.000 0.454 359 D N 1.341 121.786 120.400 0.076 0.000 2.317 359 D HA 0.074 4.715 4.640 0.001 0.000 0.211 359 D C 1.048 177.417 176.300 0.114 0.000 0.966 359 D CA 0.778 54.822 54.000 0.072 0.000 0.876 359 D CB 0.014 40.852 40.800 0.065 0.000 0.927 359 D HN 0.554 nan 8.370 nan 0.000 0.519 360 Y N 1.082 121.382 120.300 -0.000 0.000 2.347 360 Y HA 0.019 4.570 4.550 0.001 0.000 0.294 360 Y C 1.061 176.957 175.900 -0.007 0.000 1.117 360 Y CA 1.062 59.162 58.100 0.000 0.000 1.184 360 Y CB 0.089 38.550 38.460 0.002 0.000 1.047 360 Y HN -0.193 nan 8.280 nan 0.000 0.546 361 D N -0.462 119.920 120.400 -0.030 0.000 2.194 361 D HA -0.042 4.598 4.640 0.001 0.000 0.204 361 D C 2.117 178.355 176.300 -0.103 0.000 0.964 361 D CA 0.952 54.879 54.000 -0.122 0.000 0.846 361 D CB -0.120 40.664 40.800 -0.026 0.000 0.962 361 D HN 0.200 nan 8.370 nan 0.000 0.490 362 R N 0.545 121.017 120.500 -0.047 0.000 2.073 362 R HA -0.065 4.275 4.340 0.001 0.000 0.229 362 R C 2.065 178.334 176.300 -0.051 0.000 1.120 362 R CA 0.962 57.040 56.100 -0.036 0.000 0.967 362 R CB 0.061 30.356 30.300 -0.008 0.000 0.862 362 R HN 0.182 nan 8.270 nan 0.000 0.436 363 E N 0.519 120.689 120.200 -0.050 0.000 2.077 363 E HA -0.257 4.094 4.350 0.001 0.000 0.193 363 E C 1.557 178.096 176.600 -0.102 0.000 0.989 363 E CA 1.332 57.703 56.400 -0.049 0.000 0.800 363 E CB 0.154 29.848 29.700 -0.011 0.000 0.746 363 E HN -0.010 nan 8.360 nan 0.000 0.452 364 K N 0.790 121.069 120.400 -0.201 0.000 1.965 364 K HA -0.121 4.200 4.320 0.001 0.000 0.218 364 K C 2.214 178.731 176.600 -0.139 0.000 1.048 364 K CA 1.607 57.752 56.287 -0.238 0.000 0.960 364 K CB -0.818 31.451 32.500 -0.385 0.000 0.732 364 K HN 0.141 nan 8.250 nan 0.000 0.444 365 L N 0.650 121.798 121.223 -0.124 0.000 2.054 365 L HA -0.364 3.977 4.340 0.001 0.000 0.220 365 L C 2.643 179.479 176.870 -0.057 0.000 1.081 365 L CA 1.790 56.582 54.840 -0.080 0.000 0.780 365 L CB -0.685 41.335 42.059 -0.064 0.000 0.893 365 L HN 0.378 nan 8.230 nan 0.000 0.438 366 Q N 0.602 120.371 119.800 -0.053 0.000 2.014 366 Q HA -0.262 4.079 4.340 0.001 0.000 0.207 366 Q C 1.956 177.940 176.000 -0.027 0.000 0.993 366 Q CA 2.222 58.005 55.803 -0.033 0.000 0.850 366 Q CB -0.230 28.492 28.738 -0.027 0.000 0.916 366 Q HN 0.479 nan 8.270 nan 0.000 0.417 367 E N -0.408 119.772 120.200 -0.034 0.000 2.086 367 E HA -0.278 4.072 4.350 0.001 0.000 0.200 367 E C 2.166 178.758 176.600 -0.012 0.000 1.012 367 E CA 1.561 57.949 56.400 -0.020 0.000 0.812 367 E CB -0.213 29.471 29.700 -0.027 0.000 0.743 367 E HN 0.311 nan 8.360 nan 0.000 0.453 368 R N 0.399 120.884 120.500 -0.025 0.000 2.070 368 R HA -0.132 4.209 4.340 0.001 0.000 0.233 368 R C 2.539 178.835 176.300 -0.007 0.000 1.137 368 R CA 1.426 57.517 56.100 -0.016 0.000 0.945 368 R CB -0.670 29.610 30.300 -0.032 0.000 0.845 368 R HN 0.045 nan 8.270 nan 0.000 0.430 369 V N 1.582 121.488 119.914 -0.014 0.000 2.250 369 V HA -0.367 3.754 4.120 0.001 0.000 0.253 369 V C 2.487 178.580 176.094 -0.001 0.000 1.065 369 V CA 2.129 64.424 62.300 -0.009 0.000 1.039 369 V CB -1.064 30.752 31.823 -0.012 0.000 0.647 369 V HN 0.492 nan 8.190 nan 0.000 0.446 370 A N -0.036 122.784 122.820 -0.000 0.000 1.836 370 A HA -0.272 4.048 4.320 0.001 0.000 0.215 370 A C 2.236 179.827 177.584 0.012 0.000 1.214 370 A CA 2.331 54.371 52.037 0.005 0.000 0.636 370 A CB -0.764 18.240 19.000 0.007 0.000 0.847 370 A HN 0.435 nan 8.150 nan 0.000 0.451 371 K N -0.889 119.523 120.400 0.021 0.000 2.044 371 K HA -0.261 4.060 4.320 0.001 0.000 0.224 371 K C 1.907 178.524 176.600 0.028 0.000 1.056 371 K CA 1.956 58.264 56.287 0.035 0.000 0.962 371 K CB -1.329 31.205 32.500 0.058 0.000 0.730 371 K HN 0.434 nan 8.250 nan 0.000 0.453 372 L N 0.408 121.645 121.223 0.024 0.000 1.976 372 L HA -0.134 4.207 4.340 0.001 0.000 0.209 372 L C 2.265 179.141 176.870 0.010 0.000 1.071 372 L CA 2.391 57.242 54.840 0.018 0.000 0.746 372 L CB -0.812 41.255 42.059 0.013 0.000 0.890 372 L HN 0.268 nan 8.230 nan 0.000 0.432 373 A N -1.266 121.558 122.820 0.006 0.000 2.021 373 A HA 0.158 4.479 4.320 0.001 0.000 0.216 373 A C 2.251 179.836 177.584 0.002 0.000 1.163 373 A CA 0.846 52.884 52.037 0.002 0.000 0.676 373 A CB -1.244 17.756 19.000 0.000 0.000 0.818 373 A HN 0.511 nan 8.150 nan 0.000 0.453 374 G N -0.103 108.699 108.800 0.004 0.000 2.491 374 G HA2 0.283 4.243 3.960 0.001 0.000 0.218 374 G HA3 0.283 4.243 3.960 0.001 0.000 0.218 374 G C 1.173 176.073 174.900 -0.000 0.000 1.180 374 G CA 0.972 46.074 45.100 0.003 0.000 0.774 374 G HN 1.812 nan 8.290 nan 0.000 0.562 375 G N -2.479 106.321 108.800 0.000 0.000 2.655 375 G HA2 0.187 4.147 3.960 0.001 0.000 0.680 375 G HA3 0.187 4.147 3.960 0.001 0.000 0.680 375 G C -0.985 173.910 174.900 -0.008 0.000 1.302 375 G CA -0.394 44.704 45.100 -0.004 0.000 0.872 375 G HN 1.116 nan 8.290 nan 0.000 0.540 376 V N 0.620 120.526 119.914 -0.013 0.000 2.524 376 V HA 0.724 4.845 4.120 0.001 0.000 0.297 376 V C 0.777 176.859 176.094 -0.020 0.000 1.035 376 V CA -0.088 62.201 62.300 -0.019 0.000 0.867 376 V CB 1.163 32.971 31.823 -0.026 0.000 1.004 376 V HN 2.160 nan 8.190 nan 0.000 0.426 377 A N 4.694 127.502 122.820 -0.020 0.000 2.388 377 A HA 0.792 5.113 4.320 0.001 0.000 0.257 377 A C -0.058 177.512 177.584 -0.025 0.000 1.095 377 A CA -0.134 51.891 52.037 -0.021 0.000 0.791 377 A CB 0.883 19.871 19.000 -0.019 0.000 1.029 377 A HN 1.611 nan 8.150 nan 0.000 0.489 378 V N 0.331 120.231 119.914 -0.023 0.000 3.040 378 V HA 0.870 4.991 4.120 0.001 0.000 0.312 378 V C -0.582 175.499 176.094 -0.023 0.000 1.115 378 V CA -0.862 61.423 62.300 -0.025 0.000 0.998 378 V CB 1.603 33.411 31.823 -0.025 0.000 1.042 378 V HN 0.742 nan 8.190 nan 0.000 0.433 379 I N 1.551 122.107 120.570 -0.024 0.000 2.730 379 I HA 0.583 4.753 4.170 0.001 0.000 0.298 379 I C -0.628 175.477 176.117 -0.019 0.000 1.089 379 I CA -0.828 60.460 61.300 -0.021 0.000 1.041 379 I CB 2.742 40.729 38.000 -0.022 0.000 1.235 379 I HN 0.639 nan 8.210 nan 0.000 0.423 380 K N 4.483 124.873 120.400 -0.016 0.000 2.572 380 K HA 0.403 4.724 4.320 0.001 0.000 0.244 380 K C -1.092 175.500 176.600 -0.013 0.000 0.965 380 K CA -0.651 55.627 56.287 -0.015 0.000 0.943 380 K CB 2.119 34.610 32.500 -0.014 0.000 1.154 380 K HN 0.280 nan 8.250 nan 0.000 0.447 381 V N 2.842 122.748 119.914 -0.012 0.000 2.452 381 V HA -0.004 4.117 4.120 0.001 0.000 0.286 381 V C 1.063 177.151 176.094 -0.009 0.000 0.995 381 V CA 0.032 62.326 62.300 -0.010 0.000 1.116 381 V CB -0.001 31.816 31.823 -0.009 0.000 0.954 381 V HN 0.839 nan 8.190 nan 0.000 0.473 382 G N 3.591 112.386 108.800 -0.008 0.000 2.507 382 G HA2 0.716 4.677 3.960 0.001 0.000 0.271 382 G HA3 0.716 4.677 3.960 0.001 0.000 0.271 382 G C -0.269 174.627 174.900 -0.006 0.000 1.189 382 G CA 0.264 45.359 45.100 -0.008 0.000 0.859 382 G HN 1.337 nan 8.290 nan 0.000 0.542 383 A N -0.669 122.148 122.820 -0.006 0.000 2.567 383 A HA 0.755 5.076 4.320 0.001 0.000 0.291 383 A C 0.546 178.127 177.584 -0.005 0.000 1.048 383 A CA 0.408 52.442 52.037 -0.005 0.000 0.661 383 A CB 0.396 19.393 19.000 -0.005 0.000 1.288 383 A HN 1.805 nan 8.150 nan 0.000 0.424 384 A N 0.051 122.869 122.820 -0.004 0.000 1.831 384 A HA 0.426 4.747 4.320 0.001 0.000 0.213 384 A C 1.470 179.052 177.584 -0.004 0.000 1.223 384 A CA 2.188 54.223 52.037 -0.004 0.000 0.604 384 A CB -0.870 18.128 19.000 -0.004 0.000 0.878 384 A HN 1.793 nan 8.150 nan 0.000 0.450 385 T N -1.347 113.205 114.554 -0.004 0.000 2.922 385 T HA 0.263 4.614 4.350 0.001 0.000 0.285 385 T C 0.875 175.572 174.700 -0.004 0.000 1.005 385 T CA 0.134 62.232 62.100 -0.004 0.000 1.061 385 T CB 1.278 70.144 68.868 -0.004 0.000 1.007 385 T HN 0.461 nan 8.240 nan 0.000 0.502 386 E N 2.137 122.334 120.200 -0.005 0.000 2.204 386 E HA -0.086 4.265 4.350 0.001 0.000 0.195 386 E C 1.771 178.368 176.600 -0.004 0.000 0.990 386 E CA 0.899 57.296 56.400 -0.005 0.000 0.821 386 E CB 0.044 29.741 29.700 -0.005 0.000 0.750 386 E HN 0.574 nan 8.360 nan 0.000 0.477 387 V N 1.352 121.263 119.914 -0.004 0.000 2.216 387 V HA -0.289 3.832 4.120 0.001 0.000 0.243 387 V C 2.460 178.552 176.094 -0.003 0.000 1.044 387 V CA 2.320 64.618 62.300 -0.003 0.000 0.995 387 V CB -0.824 30.997 31.823 -0.003 0.000 0.633 387 V HN 0.414 nan 8.190 nan 0.000 0.446 388 E N -0.382 119.816 120.200 -0.003 0.000 2.086 388 E HA -0.329 4.022 4.350 0.001 0.000 0.200 388 E C 2.225 178.823 176.600 -0.003 0.000 1.012 388 E CA 2.156 58.554 56.400 -0.003 0.000 0.812 388 E CB -0.230 29.468 29.700 -0.003 0.000 0.743 388 E HN 0.401 nan 8.360 nan 0.000 0.453 389 M N 1.164 120.761 119.600 -0.004 0.000 2.800 389 M HA -0.271 4.210 4.480 0.001 0.000 0.271 389 M C 2.023 178.320 176.300 -0.004 0.000 1.059 389 M CA 2.166 57.463 55.300 -0.005 0.000 1.071 389 M CB -0.715 31.882 32.600 -0.005 0.000 1.227 389 M HN 0.045 nan 8.290 nan 0.000 0.505 390 K N -0.418 119.979 120.400 -0.004 0.000 2.211 390 K HA -0.198 4.123 4.320 0.001 0.000 0.204 390 K C 1.962 178.561 176.600 -0.002 0.000 1.047 390 K CA 1.322 57.607 56.287 -0.003 0.000 0.935 390 K CB -0.285 32.213 32.500 -0.003 0.000 0.728 390 K HN 0.421 nan 8.250 nan 0.000 0.452 391 E N 2.055 122.254 120.200 -0.001 0.000 2.007 391 E HA -0.225 4.126 4.350 0.001 0.000 0.194 391 E C 1.917 178.517 176.600 0.000 0.000 0.999 391 E CA 1.501 57.901 56.400 -0.000 0.000 0.811 391 E CB -0.055 29.644 29.700 -0.001 0.000 0.762 391 E HN 0.161 nan 8.360 nan 0.000 0.450 392 K N 0.984 121.383 120.400 -0.001 0.000 2.052 392 K HA -0.261 4.060 4.320 0.001 0.000 0.215 392 K C 2.382 178.981 176.600 -0.001 0.000 1.053 392 K CA 2.366 58.652 56.287 -0.001 0.000 0.934 392 K CB -0.288 32.210 32.500 -0.003 0.000 0.717 392 K HN 0.001 nan 8.250 nan 0.000 0.450 393 K N 0.041 120.440 120.400 -0.003 0.000 2.107 393 K HA -0.258 4.063 4.320 0.001 0.000 0.211 393 K C 1.919 178.519 176.600 -0.000 0.000 1.049 393 K CA 1.659 57.943 56.287 -0.004 0.000 0.927 393 K CB -0.316 32.181 32.500 -0.005 0.000 0.714 393 K HN 0.317 nan 8.250 nan 0.000 0.452 394 A N 1.438 124.261 122.820 0.004 0.000 1.841 394 A HA -0.213 4.107 4.320 0.001 0.000 0.216 394 A C 2.099 179.693 177.584 0.016 0.000 1.199 394 A CA 1.989 54.034 52.037 0.012 0.000 0.621 394 A CB -0.728 18.279 19.000 0.012 0.000 0.835 394 A HN 0.430 nan 8.150 nan 0.000 0.445 395 R N -0.723 119.784 120.500 0.012 0.000 2.153 395 R HA -0.161 4.180 4.340 0.001 0.000 0.252 395 R C 1.975 178.283 176.300 0.013 0.000 1.158 395 R CA 1.588 57.695 56.100 0.013 0.000 0.975 395 R CB -0.770 29.534 30.300 0.007 0.000 0.871 395 R HN 0.440 nan 8.270 nan 0.000 0.450 396 V N 1.056 120.972 119.914 0.004 0.000 2.237 396 V HA -0.254 3.866 4.120 0.001 0.000 0.245 396 V C 1.966 178.054 176.094 -0.010 0.000 1.046 396 V CA 2.061 64.358 62.300 -0.004 0.000 1.007 396 V CB -0.523 31.293 31.823 -0.011 0.000 0.638 396 V HN 0.366 nan 8.190 nan 0.000 0.445 397 E N 0.077 120.270 120.200 -0.013 0.000 2.171 397 E HA -0.246 4.105 4.350 0.001 0.000 0.197 397 E C 1.825 178.429 176.600 0.007 0.000 0.997 397 E CA 1.485 57.862 56.400 -0.038 0.000 0.810 397 E CB -0.237 29.452 29.700 -0.018 0.000 0.738 397 E HN 0.638 nan 8.360 nan 0.000 0.467 398 D N 0.706 121.148 120.400 0.071 0.000 2.096 398 D HA -0.171 4.470 4.640 0.001 0.000 0.200 398 D C 2.005 178.371 176.300 0.111 0.000 0.980 398 D CA 1.536 55.615 54.000 0.132 0.000 0.860 398 D CB -0.787 40.057 40.800 0.074 0.000 1.005 398 D HN 0.150 nan 8.370 nan 0.000 0.449 399 A N 1.269 124.121 122.820 0.054 0.000 1.906 399 A HA -0.281 4.040 4.320 0.001 0.000 0.222 399 A C 2.357 179.962 177.584 0.035 0.000 1.282 399 A CA 2.337 54.396 52.037 0.037 0.000 0.675 399 A CB -1.359 17.650 19.000 0.016 0.000 0.838 399 A HN 0.378 nan 8.150 nan 0.000 0.469 400 L N -1.632 119.590 121.223 -0.002 0.000 2.034 400 L HA -0.318 4.023 4.340 0.001 0.000 0.217 400 L C 2.620 179.481 176.870 -0.014 0.000 1.077 400 L CA 2.402 57.219 54.840 -0.038 0.000 0.769 400 L CB -0.527 41.472 42.059 -0.100 0.000 0.890 400 L HN 0.590 nan 8.230 nan 0.000 0.435 401 H N -0.126 118.946 119.070 0.003 0.000 2.472 401 H HA -0.247 4.309 4.556 0.001 0.000 0.295 401 H C 2.195 177.525 175.328 0.005 0.000 1.051 401 H CA 1.816 57.867 56.048 0.005 0.000 1.138 401 H CB -0.834 28.932 29.762 0.007 0.000 1.404 401 H HN 0.563 nan 8.280 nan 0.000 0.603 402 A N 0.376 123.298 122.820 0.169 0.000 1.923 402 A HA -0.323 3.997 4.320 0.001 0.000 0.222 402 A C 2.704 180.322 177.584 0.057 0.000 1.258 402 A CA 3.385 55.470 52.037 0.080 0.000 0.670 402 A CB -1.441 17.592 19.000 0.055 0.000 0.834 402 A HN 0.605 nan 8.150 nan 0.000 0.470 403 T N -0.608 113.974 114.554 0.048 0.000 2.635 403 T HA -0.218 4.133 4.350 0.001 0.000 0.267 403 T C 2.010 176.726 174.700 0.027 0.000 1.040 403 T CA 1.731 63.848 62.100 0.028 0.000 1.156 403 T CB -0.311 68.567 68.868 0.015 0.000 0.863 403 T HN 0.578 nan 8.240 nan 0.000 0.430 404 R N 0.901 121.421 120.500 0.033 0.000 2.096 404 R HA -0.075 4.266 4.340 0.001 0.000 0.240 404 R C 2.868 179.190 176.300 0.036 0.000 1.139 404 R CA 1.470 57.589 56.100 0.031 0.000 0.952 404 R CB -0.645 29.677 30.300 0.037 0.000 0.854 404 R HN 0.404 nan 8.270 nan 0.000 0.436 405 A N 1.275 124.125 122.820 0.050 0.000 1.883 405 A HA -0.162 4.159 4.320 0.001 0.000 0.217 405 A C 2.412 180.011 177.584 0.026 0.000 1.186 405 A CA 1.833 53.894 52.037 0.039 0.000 0.624 405 A CB -0.754 18.272 19.000 0.044 0.000 0.822 405 A HN 0.436 nan 8.150 nan 0.000 0.444 406 A N -0.592 122.243 122.820 0.025 0.000 1.908 406 A HA -0.016 4.305 4.320 0.001 0.000 0.218 406 A C 2.256 179.849 177.584 0.015 0.000 1.181 406 A CA 1.923 53.971 52.037 0.018 0.000 0.627 406 A CB -0.992 18.018 19.000 0.017 0.000 0.818 406 A HN 0.390 nan 8.150 nan 0.000 0.445 407 V N 0.191 120.114 119.914 0.016 0.000 2.216 407 V HA -0.307 3.814 4.120 0.001 0.000 0.243 407 V C 2.390 178.492 176.094 0.013 0.000 1.044 407 V CA 2.326 64.634 62.300 0.013 0.000 0.995 407 V CB -1.137 30.694 31.823 0.013 0.000 0.633 407 V HN 0.673 nan 8.190 nan 0.000 0.446 408 E N 0.266 120.476 120.200 0.015 0.000 2.068 408 E HA -0.287 4.064 4.350 0.001 0.000 0.207 408 E C 1.632 178.238 176.600 0.010 0.000 1.032 408 E CA 2.039 58.447 56.400 0.014 0.000 0.839 408 E CB -0.193 29.517 29.700 0.017 0.000 0.758 408 E HN 0.717 nan 8.360 nan 0.000 0.457 409 E N -0.315 119.890 120.200 0.009 0.000 2.660 409 E HA 0.271 4.621 4.350 0.001 0.000 0.216 409 E C 0.398 177.002 176.600 0.007 0.000 0.986 409 E CA 0.114 56.517 56.400 0.006 0.000 1.037 409 E CB 1.317 31.018 29.700 0.001 0.000 1.041 409 E HN 0.283 nan 8.360 nan 0.000 0.480 410 G N 1.412 110.217 108.800 0.009 0.000 2.698 410 G HA2 -0.241 3.720 3.960 0.001 0.000 0.233 410 G HA3 -0.241 3.720 3.960 0.001 0.000 0.233 410 G C -0.115 174.791 174.900 0.009 0.000 1.352 410 G CA -0.288 44.818 45.100 0.009 0.000 0.879 410 G HN 0.544 nan 8.290 nan 0.000 0.567 411 V N -2.775 117.145 119.914 0.010 0.000 3.167 411 V HA 1.020 5.140 4.120 0.001 0.000 0.310 411 V C 0.490 176.590 176.094 0.010 0.000 1.207 411 V CA 0.629 62.935 62.300 0.009 0.000 1.059 411 V CB 1.456 33.285 31.823 0.010 0.000 1.079 411 V HN 2.646 nan 8.190 nan 0.000 0.446 412 V N -2.173 117.746 119.914 0.009 0.000 3.203 412 V HA 0.994 5.115 4.120 0.001 0.000 0.305 412 V C 0.286 176.386 176.094 0.009 0.000 1.361 412 V CA -0.768 61.539 62.300 0.011 0.000 1.066 412 V CB 1.010 32.840 31.823 0.011 0.000 1.085 412 V HN 2.481 nan 8.190 nan 0.000 0.456 413 A N 0.172 122.999 122.820 0.011 0.000 2.548 413 A HA 0.533 4.853 4.320 0.001 0.000 0.247 413 A C 1.215 178.797 177.584 -0.004 0.000 1.067 413 A CA 0.579 52.619 52.037 0.005 0.000 0.757 413 A CB -0.192 18.815 19.000 0.011 0.000 0.996 413 A HN 2.200 nan 8.150 nan 0.000 0.504 414 G N 1.583 110.374 108.800 -0.014 0.000 3.233 414 G HA2 0.326 4.287 3.960 0.001 0.000 0.234 414 G HA3 0.326 4.287 3.960 0.001 0.000 0.234 414 G C 0.813 175.697 174.900 -0.028 0.000 1.137 414 G CA 0.680 45.770 45.100 -0.018 0.000 0.763 414 G HN 1.125 nan 8.290 nan 0.000 0.549 415 G N -0.282 108.496 108.800 -0.037 0.000 3.262 415 G HA2 0.400 4.361 3.960 0.001 0.000 0.228 415 G HA3 0.400 4.361 3.960 0.001 0.000 0.228 415 G C 1.188 176.076 174.900 -0.020 0.000 1.197 415 G CA 0.286 45.359 45.100 -0.046 0.000 0.819 415 G HN 1.193 nan 8.290 nan 0.000 0.531 416 G N -1.097 107.698 108.800 -0.009 0.000 2.176 416 G HA2 -0.342 3.619 3.960 0.001 0.000 0.232 416 G HA3 -0.342 3.619 3.960 0.001 0.000 0.232 416 G C 1.275 176.180 174.900 0.009 0.000 0.986 416 G CA 0.432 45.534 45.100 0.003 0.000 0.643 416 G HN 0.505 nan 8.290 nan 0.000 0.522 417 V N 1.311 121.227 119.914 0.003 0.000 2.220 417 V HA -0.055 4.065 4.120 0.001 0.000 0.246 417 V C 3.348 179.452 176.094 0.017 0.000 1.049 417 V CA 3.222 65.528 62.300 0.009 0.000 1.003 417 V CB -1.588 30.233 31.823 -0.004 0.000 0.634 417 V HN 1.231 nan 8.190 nan 0.000 0.444 418 A N 0.320 123.148 122.820 0.013 0.000 1.909 418 A HA -0.254 4.067 4.320 0.001 0.000 0.221 418 A C 2.225 179.820 177.584 0.017 0.000 1.223 418 A CA 2.481 54.528 52.037 0.016 0.000 0.658 418 A CB -0.768 18.238 19.000 0.011 0.000 0.831 418 A HN 0.427 nan 8.150 nan 0.000 0.462 419 L N -0.637 120.594 121.223 0.015 0.000 1.976 419 L HA -0.182 4.158 4.340 0.001 0.000 0.209 419 L C 2.657 179.539 176.870 0.019 0.000 1.071 419 L CA 1.598 56.447 54.840 0.015 0.000 0.746 419 L CB -1.364 40.703 42.059 0.014 0.000 0.890 419 L HN 0.343 nan 8.230 nan 0.000 0.432 420 I N -0.122 120.462 120.570 0.023 0.000 2.113 420 I HA -0.356 3.815 4.170 0.001 0.000 0.242 420 I C 2.743 178.878 176.117 0.031 0.000 1.057 420 I CA 1.395 62.712 61.300 0.028 0.000 1.314 420 I CB -0.985 37.035 38.000 0.033 0.000 1.022 420 I HN 0.311 nan 8.210 nan 0.000 0.408 421 R N 1.314 121.835 120.500 0.035 0.000 2.171 421 R HA -0.209 4.131 4.340 0.001 0.000 0.226 421 R C 2.392 178.711 176.300 0.030 0.000 1.113 421 R CA 3.022 59.145 56.100 0.039 0.000 0.887 421 R CB -1.116 29.208 30.300 0.041 0.000 0.830 421 R HN 0.321 nan 8.270 nan 0.000 0.432 422 V N -1.050 118.878 119.914 0.024 0.000 2.311 422 V HA -0.306 3.815 4.120 0.001 0.000 0.256 422 V C 2.172 178.276 176.094 0.017 0.000 1.077 422 V CA 2.365 64.676 62.300 0.019 0.000 1.067 422 V CB -1.689 30.142 31.823 0.014 0.000 0.659 422 V HN 0.523 nan 8.190 nan 0.000 0.451 423 A N 1.629 124.460 122.820 0.018 0.000 1.865 423 A HA -0.194 4.127 4.320 0.001 0.000 0.217 423 A C 2.659 180.254 177.584 0.017 0.000 1.191 423 A CA 3.273 55.320 52.037 0.016 0.000 0.623 423 A CB -1.329 17.681 19.000 0.017 0.000 0.826 423 A HN 1.144 nan 8.150 nan 0.000 0.444 424 S N -0.160 115.553 115.700 0.021 0.000 2.400 424 S HA -0.218 4.252 4.470 0.001 0.000 0.232 424 S C 1.864 176.475 174.600 0.019 0.000 1.025 424 S CA 1.420 59.633 58.200 0.022 0.000 0.993 424 S CB -0.327 62.891 63.200 0.029 0.000 0.808 424 S HN 0.455 nan 8.310 nan 0.000 0.478 425 K N 2.382 122.794 120.400 0.020 0.000 1.975 425 K HA -0.022 4.299 4.320 0.001 0.000 0.224 425 K C 1.571 178.179 176.600 0.013 0.000 1.038 425 K CA 1.296 57.593 56.287 0.017 0.000 1.009 425 K CB -1.393 31.117 32.500 0.016 0.000 0.750 425 K HN 0.683 nan 8.250 nan 0.000 0.445 426 L N 0.168 121.398 121.223 0.011 0.000 2.679 426 L HA 0.209 4.549 4.340 0.001 0.000 0.241 426 L C 1.013 177.889 176.870 0.009 0.000 1.441 426 L CA -0.112 54.733 54.840 0.009 0.000 1.181 426 L CB -0.540 41.523 42.059 0.008 0.000 1.451 426 L HN 0.053 nan 8.230 nan 0.000 0.446 427 A N -0.306 122.520 122.820 0.009 0.000 2.275 427 A HA 0.059 4.380 4.320 0.001 0.000 0.212 427 A C 1.606 179.194 177.584 0.007 0.000 1.201 427 A CA 0.240 52.282 52.037 0.009 0.000 0.843 427 A CB -0.034 18.972 19.000 0.010 0.000 0.873 427 A HN 0.632 nan 8.150 nan 0.000 0.492 428 D N -0.828 119.576 120.400 0.006 0.000 2.369 428 D HA 0.041 4.681 4.640 0.001 0.000 0.231 428 D C 0.586 176.889 176.300 0.005 0.000 0.967 428 D CA -0.056 53.947 54.000 0.005 0.000 0.905 428 D CB -0.286 40.516 40.800 0.005 0.000 1.044 428 D HN 0.275 nan 8.370 nan 0.000 0.487 429 L N 2.911 124.137 121.223 0.005 0.000 4.017 429 L HA -0.227 4.114 4.340 0.001 0.000 0.482 429 L C 0.042 176.914 176.870 0.004 0.000 1.045 429 L CA 0.804 55.647 54.840 0.004 0.000 0.650 429 L CB -0.089 41.972 42.059 0.005 0.000 0.973 429 L HN -0.055 nan 8.230 nan 0.000 0.913 430 R N 3.712 124.215 120.500 0.003 0.000 2.923 430 R HA 0.876 5.216 4.340 0.001 0.000 0.252 430 R C 0.054 176.356 176.300 0.003 0.000 1.130 430 R CA -0.320 55.782 56.100 0.003 0.000 1.043 430 R CB 1.426 31.727 30.300 0.003 0.000 1.205 430 R HN 0.784 nan 8.270 nan 0.000 0.495 431 G N -0.131 108.671 108.800 0.003 0.000 2.658 431 G HA2 0.380 4.341 3.960 0.001 0.000 0.292 431 G HA3 0.380 4.341 3.960 0.001 0.000 0.292 431 G C -0.242 174.660 174.900 0.003 0.000 1.320 431 G CA -0.385 44.717 45.100 0.003 0.000 0.933 431 G HN 0.263 nan 8.290 nan 0.000 0.476 432 Q N 0.282 120.084 119.800 0.002 0.000 1.809 432 Q HA -0.049 4.292 4.340 0.001 0.000 0.269 432 Q C 1.421 177.423 176.000 0.002 0.000 0.984 432 Q CA 0.916 56.720 55.803 0.002 0.000 0.885 432 Q CB -0.539 28.200 28.738 0.002 0.000 0.933 432 Q HN 0.690 nan 8.270 nan 0.000 0.422 433 N N 0.947 119.649 118.700 0.002 0.000 2.407 433 N HA -0.127 4.614 4.740 0.001 0.000 0.250 433 N C 0.728 176.239 175.510 0.003 0.000 1.236 433 N CA 0.004 53.055 53.050 0.002 0.000 0.879 433 N CB 0.447 38.935 38.487 0.003 0.000 1.088 433 N HN 0.344 nan 8.380 nan 0.000 0.450 434 E N 2.265 122.466 120.200 0.002 0.000 2.160 434 E HA -0.249 4.102 4.350 0.001 0.000 0.195 434 E C 0.290 176.891 176.600 0.003 0.000 0.991 434 E CA 1.221 57.622 56.400 0.002 0.000 0.810 434 E CB 0.131 29.832 29.700 0.002 0.000 0.742 434 E HN 0.626 nan 8.360 nan 0.000 0.466 435 D N 0.241 120.643 120.400 0.003 0.000 2.384 435 D HA -0.126 4.515 4.640 0.001 0.000 0.222 435 D C 1.494 177.796 176.300 0.003 0.000 0.976 435 D CA 0.783 54.785 54.000 0.003 0.000 0.915 435 D CB 0.109 40.911 40.800 0.003 0.000 0.896 435 D HN 0.469 nan 8.370 nan 0.000 0.523 436 Q N -0.337 119.465 119.800 0.003 0.000 2.349 436 Q HA 0.041 4.382 4.340 0.001 0.000 0.209 436 Q C 1.721 177.723 176.000 0.004 0.000 0.920 436 Q CA 0.065 55.871 55.803 0.004 0.000 0.901 436 Q CB 0.223 28.963 28.738 0.003 0.000 1.021 436 Q HN 0.169 nan 8.270 nan 0.000 0.519 437 N N 0.950 119.653 118.700 0.004 0.000 2.025 437 N HA -0.147 4.593 4.740 0.001 0.000 0.194 437 N C 2.059 177.571 175.510 0.004 0.000 1.044 437 N CA 1.575 54.627 53.050 0.004 0.000 0.851 437 N CB -0.494 37.995 38.487 0.003 0.000 1.036 437 N HN 0.038 nan 8.380 nan 0.000 0.422 438 V N 1.353 121.270 119.914 0.004 0.000 2.282 438 V HA -0.220 3.901 4.120 0.001 0.000 0.249 438 V C 2.594 178.690 176.094 0.005 0.000 1.057 438 V CA 2.118 64.421 62.300 0.004 0.000 1.032 438 V CB -1.571 30.254 31.823 0.004 0.000 0.645 438 V HN 0.372 nan 8.190 nan 0.000 0.447 439 G N 0.350 109.153 108.800 0.005 0.000 2.513 439 G HA2 -0.278 3.683 3.960 0.001 0.000 0.219 439 G HA3 -0.278 3.683 3.960 0.001 0.000 0.219 439 G C 1.527 176.431 174.900 0.006 0.000 1.160 439 G CA 1.507 46.610 45.100 0.005 0.000 0.767 439 G HN 0.553 nan 8.290 nan 0.000 0.571 440 I N 0.017 120.590 120.570 0.005 0.000 2.252 440 I HA -0.069 4.102 4.170 0.001 0.000 0.245 440 I C 2.746 178.867 176.117 0.006 0.000 1.102 440 I CA 1.087 62.391 61.300 0.006 0.000 1.385 440 I CB -0.219 37.785 38.000 0.005 0.000 1.064 440 I HN 0.008 nan 8.210 nan 0.000 0.414 441 K N 1.141 121.545 120.400 0.006 0.000 1.977 441 K HA -0.154 4.167 4.320 0.001 0.000 0.218 441 K C 1.993 178.597 176.600 0.007 0.000 1.051 441 K CA 1.610 57.901 56.287 0.006 0.000 0.953 441 K CB -0.943 31.560 32.500 0.006 0.000 0.727 441 K HN 0.026 nan 8.250 nan 0.000 0.445 442 V N 1.206 121.124 119.914 0.007 0.000 2.233 442 V HA -0.414 3.707 4.120 0.001 0.000 0.256 442 V C 2.210 178.309 176.094 0.009 0.000 1.069 442 V CA 2.410 64.715 62.300 0.007 0.000 1.054 442 V CB -1.204 30.624 31.823 0.007 0.000 0.664 442 V HN 0.537 nan 8.190 nan 0.000 0.453 443 A N -0.351 122.474 122.820 0.009 0.000 1.870 443 A HA -0.278 4.042 4.320 0.001 0.000 0.219 443 A C 2.196 179.786 177.584 0.010 0.000 1.224 443 A CA 2.729 54.771 52.037 0.009 0.000 0.650 443 A CB -0.813 18.192 19.000 0.008 0.000 0.836 443 A HN 0.527 nan 8.150 nan 0.000 0.454 444 L N -1.408 119.820 121.223 0.009 0.000 1.970 444 L HA -0.217 4.124 4.340 0.001 0.000 0.212 444 L C 2.853 179.729 176.870 0.011 0.000 1.071 444 L CA 2.008 56.854 54.840 0.010 0.000 0.751 444 L CB -0.571 41.494 42.059 0.010 0.000 0.889 444 L HN 0.522 nan 8.230 nan 0.000 0.432 445 R N 0.408 120.914 120.500 0.010 0.000 2.170 445 R HA -0.202 4.139 4.340 0.001 0.000 0.242 445 R C 2.152 178.459 176.300 0.011 0.000 1.145 445 R CA 1.384 57.490 56.100 0.010 0.000 0.984 445 R CB -0.201 30.104 30.300 0.009 0.000 0.869 445 R HN 0.391 nan 8.270 nan 0.000 0.455 446 A N 0.546 123.372 122.820 0.011 0.000 2.067 446 A HA -0.088 4.232 4.320 0.001 0.000 0.219 446 A C 2.012 179.604 177.584 0.013 0.000 1.158 446 A CA 1.139 53.183 52.037 0.012 0.000 0.661 446 A CB -0.278 18.730 19.000 0.012 0.000 0.801 446 A HN 0.373 nan 8.150 nan 0.000 0.452 447 M N -0.777 118.830 119.600 0.013 0.000 2.557 447 M HA -0.051 4.430 4.480 0.001 0.000 0.259 447 M C 1.451 177.760 176.300 0.015 0.000 1.086 447 M CA 0.864 56.173 55.300 0.014 0.000 1.096 447 M CB -0.278 32.330 32.600 0.013 0.000 1.424 447 M HN 0.423 nan 8.290 nan 0.000 0.488 448 E N 0.904 121.113 120.200 0.015 0.000 2.358 448 E HA -0.041 4.309 4.350 0.001 0.000 0.195 448 E C 2.132 178.742 176.600 0.016 0.000 1.010 448 E CA 0.553 56.963 56.400 0.017 0.000 0.856 448 E CB -0.004 29.706 29.700 0.016 0.000 0.795 448 E HN 0.501 nan 8.360 nan 0.000 0.504 449 A N 2.399 125.227 122.820 0.014 0.000 1.873 449 A HA -0.230 4.091 4.320 0.001 0.000 0.219 449 A C -0.302 177.290 177.584 0.014 0.000 1.269 449 A CA 1.930 53.975 52.037 0.013 0.000 0.671 449 A CB -1.819 17.189 19.000 0.013 0.000 0.842 449 A HN 0.148 nan 8.150 nan 0.000 0.460 450 P HA -0.194 nan 4.420 nan 0.000 0.214 450 P C 1.786 179.095 177.300 0.014 0.000 1.169 450 P CA 1.459 64.566 63.100 0.012 0.000 0.908 450 P CB -0.136 31.570 31.700 0.010 0.000 0.791 451 L N -0.392 120.842 121.223 0.019 0.000 1.970 451 L HA -0.192 4.149 4.340 0.001 0.000 0.212 451 L C 2.395 179.285 176.870 0.034 0.000 1.071 451 L CA 1.976 56.834 54.840 0.029 0.000 0.751 451 L CB -1.041 41.039 42.059 0.035 0.000 0.889 451 L HN -0.224 nan 8.230 nan 0.000 0.432 452 R N -1.015 119.501 120.500 0.026 0.000 2.103 452 R HA -0.266 4.075 4.340 0.001 0.000 0.242 452 R C 2.347 178.660 176.300 0.021 0.000 1.142 452 R CA 1.836 57.950 56.100 0.022 0.000 0.960 452 R CB -0.466 29.844 30.300 0.016 0.000 0.858 452 R HN 0.487 nan 8.270 nan 0.000 0.439 453 Q N 0.656 120.467 119.800 0.018 0.000 2.079 453 Q HA -0.118 4.223 4.340 0.001 0.000 0.200 453 Q C 1.833 177.843 176.000 0.017 0.000 0.974 453 Q CA 1.452 57.263 55.803 0.015 0.000 0.840 453 Q CB -0.011 28.733 28.738 0.011 0.000 0.898 453 Q HN 0.209 nan 8.270 nan 0.000 0.430 454 I N -0.232 120.349 120.570 0.019 0.000 2.076 454 I HA -0.257 3.913 4.170 0.001 0.000 0.237 454 I C 2.257 178.395 176.117 0.035 0.000 1.059 454 I CA 1.042 62.352 61.300 0.018 0.000 1.317 454 I CB -1.548 36.459 38.000 0.012 0.000 1.037 454 I HN 0.106 nan 8.210 nan 0.000 0.398 455 V N 1.088 121.040 119.914 0.063 0.000 2.250 455 V HA -0.317 3.803 4.120 0.001 0.000 0.253 455 V C 2.642 178.764 176.094 0.047 0.000 1.065 455 V CA 2.041 64.392 62.300 0.086 0.000 1.039 455 V CB -0.874 30.987 31.823 0.064 0.000 0.647 455 V HN 0.346 nan 8.190 nan 0.000 0.446 456 L N 1.041 122.282 121.223 0.029 0.000 1.978 456 L HA -0.231 4.109 4.340 0.001 0.000 0.218 456 L C 2.211 179.091 176.870 0.018 0.000 1.075 456 L CA 2.289 57.141 54.840 0.019 0.000 0.767 456 L CB -1.190 40.877 42.059 0.014 0.000 0.890 456 L HN 0.366 nan 8.230 nan 0.000 0.434 457 N N -1.036 117.673 118.700 0.016 0.000 2.348 457 N HA -0.172 4.568 4.740 0.001 0.000 0.185 457 N C 1.661 177.178 175.510 0.012 0.000 1.019 457 N CA 1.605 54.661 53.050 0.010 0.000 0.880 457 N CB -0.771 37.719 38.487 0.006 0.000 0.965 457 N HN 0.466 nan 8.380 nan 0.000 0.437 458 C N -0.796 118.516 119.300 0.020 0.000 2.626 458 C HA 0.325 4.786 4.460 0.001 0.000 0.266 458 C C 1.638 176.643 174.990 0.026 0.000 1.317 458 C CA 0.157 59.189 59.018 0.023 0.000 1.716 458 C CB -1.018 26.745 27.740 0.039 0.000 1.819 458 C HN 0.604 nan 8.230 nan 0.000 0.578 459 G N 1.182 109.995 108.800 0.023 0.000 2.137 459 G HA2 -0.163 3.797 3.960 0.001 0.000 0.237 459 G HA3 -0.163 3.797 3.960 0.001 0.000 0.237 459 G C -0.258 174.654 174.900 0.021 0.000 1.002 459 G CA 0.116 45.227 45.100 0.019 0.000 0.702 459 G HN 0.515 nan 8.290 nan 0.000 0.515 460 E N 0.111 120.328 120.200 0.028 0.000 2.243 460 E HA 0.405 4.756 4.350 0.001 0.000 0.260 460 E C 0.074 176.675 176.600 0.002 0.000 0.985 460 E CA -0.871 55.540 56.400 0.019 0.000 0.858 460 E CB 0.658 30.381 29.700 0.038 0.000 1.210 460 E HN 0.212 nan 8.360 nan 0.000 0.411 461 E N 2.192 122.382 120.200 -0.017 0.000 2.238 461 E HA 0.056 4.406 4.350 0.001 0.000 0.264 461 E C -1.746 174.837 176.600 -0.028 0.000 1.136 461 E CA -1.428 54.959 56.400 -0.021 0.000 0.929 461 E CB 0.597 30.282 29.700 -0.026 0.000 1.010 461 E HN 0.185 nan 8.360 nan 0.000 0.440 462 P HA -0.194 nan 4.420 nan 0.000 0.208 462 P C 1.552 178.846 177.300 -0.011 0.000 1.200 462 P CA 1.754 64.850 63.100 -0.006 0.000 0.924 462 P CB 0.025 31.727 31.700 0.003 0.000 0.774 463 S N -0.615 115.082 115.700 -0.006 0.000 2.399 463 S HA -0.233 4.238 4.470 0.001 0.000 0.235 463 S C 2.010 176.604 174.600 -0.010 0.000 1.063 463 S CA 2.280 60.478 58.200 -0.004 0.000 1.070 463 S CB -2.033 61.165 63.200 -0.004 0.000 0.904 463 S HN -0.064 nan 8.310 nan 0.000 0.456 464 V N 1.623 121.526 119.914 -0.019 0.000 2.244 464 V HA -0.140 3.981 4.120 0.001 0.000 0.244 464 V C 2.710 178.788 176.094 -0.028 0.000 1.042 464 V CA 1.779 64.064 62.300 -0.025 0.000 1.006 464 V CB -0.940 30.865 31.823 -0.030 0.000 0.641 464 V HN 0.485 nan 8.190 nan 0.000 0.446 465 V N 0.304 120.182 119.914 -0.060 0.000 2.252 465 V HA -0.322 3.798 4.120 0.001 0.000 0.249 465 V C 2.738 178.843 176.094 0.018 0.000 1.056 465 V CA 2.236 64.491 62.300 -0.074 0.000 1.022 465 V CB -1.329 30.332 31.823 -0.269 0.000 0.641 465 V HN 0.577 nan 8.190 nan 0.000 0.445 466 A N 0.689 123.515 122.820 0.009 0.000 1.859 466 A HA -0.413 3.908 4.320 0.001 0.000 0.218 466 A C 2.032 179.636 177.584 0.034 0.000 1.209 466 A CA 2.915 54.969 52.037 0.029 0.000 0.639 466 A CB -1.208 17.804 19.000 0.019 0.000 0.835 466 A HN 0.711 nan 8.150 nan 0.000 0.450 467 N N -0.268 118.442 118.700 0.017 0.000 2.055 467 N HA -0.264 4.476 4.740 0.001 0.000 0.200 467 N C 1.794 177.314 175.510 0.017 0.000 1.037 467 N CA 4.127 57.184 53.050 0.012 0.000 0.881 467 N CB -0.898 37.588 38.487 -0.002 0.000 1.075 467 N HN 0.580 nan 8.380 nan 0.000 0.470 468 T N -2.336 112.218 114.554 -0.001 0.000 2.897 468 T HA -0.089 4.262 4.350 0.001 0.000 0.271 468 T C 1.911 176.640 174.700 0.048 0.000 1.084 468 T CA 1.588 63.670 62.100 -0.031 0.000 1.123 468 T CB -0.789 67.966 68.868 -0.188 0.000 0.865 468 T HN 0.086 nan 8.240 nan 0.000 0.496 469 V N 1.422 121.388 119.914 0.087 0.000 2.453 469 V HA -0.061 4.060 4.120 0.001 0.000 0.247 469 V C 2.860 179.023 176.094 0.117 0.000 1.048 469 V CA 1.319 63.679 62.300 0.101 0.000 1.049 469 V CB -0.441 31.434 31.823 0.086 0.000 0.672 469 V HN 0.411 nan 8.190 nan 0.000 0.457 470 K N 0.945 121.393 120.400 0.081 0.000 2.032 470 K HA -0.142 4.179 4.320 0.001 0.000 0.209 470 K C 2.286 178.935 176.600 0.082 0.000 1.048 470 K CA 1.636 57.964 56.287 0.069 0.000 0.927 470 K CB -1.198 31.328 32.500 0.043 0.000 0.712 470 K HN 0.509 nan 8.250 nan 0.000 0.441 471 G N 1.558 110.405 108.800 0.078 0.000 2.631 471 G HA2 -0.266 3.694 3.960 0.001 0.000 0.219 471 G HA3 -0.266 3.694 3.960 0.001 0.000 0.219 471 G C 1.115 176.065 174.900 0.083 0.000 1.214 471 G CA 1.447 46.585 45.100 0.063 0.000 0.785 471 G HN 0.480 nan 8.290 nan 0.000 0.596 472 G N -0.703 108.209 108.800 0.187 0.000 2.518 472 G HA2 0.403 4.364 3.960 0.001 0.000 0.284 472 G HA3 0.403 4.364 3.960 0.001 0.000 0.284 472 G C -0.317 174.674 174.900 0.152 0.000 1.362 472 G CA 0.369 45.567 45.100 0.165 0.000 1.065 472 G HN 0.390 nan 8.290 nan 0.000 0.561 473 D N -2.507 117.976 120.400 0.140 0.000 2.752 473 D HA 0.493 5.134 4.640 0.001 0.000 0.313 473 D C 0.799 177.177 176.300 0.130 0.000 1.225 473 D CA 0.501 54.563 54.000 0.105 0.000 0.976 473 D CB 1.070 41.897 40.800 0.045 0.000 1.443 473 D HN 0.959 nan 8.370 nan 0.000 0.515 474 G N 0.936 109.788 108.800 0.088 0.000 2.594 474 G HA2 -0.310 3.651 3.960 0.001 0.000 0.297 474 G HA3 -0.310 3.651 3.960 0.001 0.000 0.297 474 G C 0.229 175.191 174.900 0.104 0.000 1.273 474 G CA 0.128 45.278 45.100 0.082 0.000 0.974 474 G HN 0.549 nan 8.290 nan 0.000 0.552 475 N N 0.509 119.273 118.700 0.105 0.000 2.346 475 N HA 0.129 4.870 4.740 0.001 0.000 0.225 475 N C -0.071 175.526 175.510 0.146 0.000 1.144 475 N CA 0.151 53.258 53.050 0.097 0.000 0.837 475 N CB 0.179 38.706 38.487 0.066 0.000 1.069 475 N HN 0.478 nan 8.380 nan 0.000 0.487 476 Y N 1.226 121.558 120.300 0.053 0.000 2.436 476 Y HA 0.466 5.016 4.550 0.001 0.000 0.336 476 Y C 0.612 176.579 175.900 0.113 0.000 1.049 476 Y CA -0.397 57.750 58.100 0.078 0.000 1.294 476 Y CB 0.271 38.773 38.460 0.069 0.000 1.179 476 Y HN 0.086 nan 8.280 nan 0.000 0.520 477 G N 4.245 112.782 108.800 -0.439 0.000 2.815 477 G HA2 0.288 4.249 3.960 0.001 0.000 0.305 477 G HA3 0.288 4.249 3.960 0.001 0.000 0.305 477 G C -2.418 172.314 174.900 -0.280 0.000 1.277 477 G CA -0.870 44.018 45.100 -0.354 0.000 0.795 477 G HN 0.532 nan 8.290 nan 0.000 0.528 478 Y N 1.500 121.611 120.300 -0.315 0.000 2.328 478 Y HA 0.581 5.132 4.550 0.001 0.000 0.337 478 Y C -0.317 175.370 175.900 -0.354 0.000 0.966 478 Y CA -1.718 56.049 58.100 -0.555 0.000 1.136 478 Y CB 1.575 39.594 38.460 -0.735 0.000 1.170 478 Y HN 0.401 nan 8.280 nan 0.000 0.470 479 N N 5.108 123.308 118.700 -0.832 0.000 2.439 479 N HA 0.187 4.927 4.740 0.001 0.000 0.243 479 N C 0.620 175.493 175.510 -1.062 0.000 1.088 479 N CA 0.680 53.318 53.050 -0.686 0.000 0.940 479 N CB 1.388 39.656 38.487 -0.366 0.000 1.180 479 N HN 0.968 nan 8.380 nan 0.000 0.505 480 A N 4.256 126.511 122.820 -0.941 0.000 1.917 480 A HA -0.168 4.152 4.320 0.001 0.000 0.219 480 A C 2.106 179.464 177.584 -0.377 0.000 1.182 480 A CA 1.992 53.615 52.037 -0.690 0.000 0.633 480 A CB -0.798 18.031 19.000 -0.284 0.000 0.819 480 A HN 0.725 nan 8.150 nan 0.000 0.448 481 A N -0.923 121.728 122.820 -0.282 0.000 2.024 481 A HA -0.073 4.248 4.320 0.001 0.000 0.220 481 A C 2.166 179.661 177.584 -0.149 0.000 1.164 481 A CA 2.518 54.454 52.037 -0.168 0.000 0.643 481 A CB -0.809 18.113 19.000 -0.131 0.000 0.806 481 A HN 0.947 nan 8.150 nan 0.000 0.451 482 T N -5.201 109.232 114.554 -0.202 0.000 3.004 482 T HA 0.301 4.652 4.350 0.001 0.000 0.266 482 T C 0.247 174.878 174.700 -0.115 0.000 0.986 482 T CA 0.634 62.658 62.100 -0.127 0.000 0.902 482 T CB -0.097 68.709 68.868 -0.102 0.000 1.118 482 T HN 0.537 nan 8.240 nan 0.000 0.522 483 E N 0.848 120.910 120.200 -0.231 0.000 2.637 483 E HA -0.160 4.191 4.350 0.001 0.000 0.265 483 E C -0.755 175.893 176.600 0.079 0.000 1.073 483 E CA 0.615 57.005 56.400 -0.017 0.000 0.778 483 E CB -1.666 28.103 29.700 0.114 0.000 1.362 483 E HN 0.752 nan 8.360 nan 0.000 0.413 484 E N -0.186 119.946 120.200 -0.113 0.000 2.210 484 E HA 0.410 4.761 4.350 0.001 0.000 0.266 484 E C -0.732 175.855 176.600 -0.022 0.000 0.883 484 E CA -0.681 55.738 56.400 0.032 0.000 0.761 484 E CB 1.114 30.834 29.700 0.033 0.000 1.156 484 E HN 0.036 nan 8.360 nan 0.000 0.412 485 Y N 0.846 121.250 120.300 0.172 0.000 2.334 485 Y HA 0.654 5.204 4.550 0.001 0.000 0.325 485 Y C 1.243 177.230 175.900 0.146 0.000 1.308 485 Y CA 0.417 58.575 58.100 0.096 0.000 1.389 485 Y CB 1.311 39.832 38.460 0.101 0.000 1.328 485 Y HN 0.719 nan 8.280 nan 0.000 0.532 486 G N 0.199 109.183 108.800 0.306 0.000 2.373 486 G HA2 -0.086 3.874 3.960 0.001 0.000 0.250 486 G HA3 -0.086 3.874 3.960 0.001 0.000 0.250 486 G C -1.619 173.469 174.900 0.313 0.000 1.304 486 G CA -1.048 44.289 45.100 0.396 0.000 0.948 486 G HN 0.556 nan 8.290 nan 0.000 0.474 487 N N 1.610 120.430 118.700 0.200 0.000 2.521 487 N HA 0.179 4.920 4.740 0.001 0.000 0.236 487 N C 1.908 177.457 175.510 0.065 0.000 1.067 487 N CA -0.522 52.612 53.050 0.141 0.000 0.939 487 N CB 0.554 39.105 38.487 0.108 0.000 1.201 487 N HN 0.403 nan 8.380 nan 0.000 0.511 488 M N 2.914 122.534 119.600 0.034 0.000 2.116 488 M HA -0.253 4.228 4.480 0.001 0.000 0.255 488 M C 1.684 177.984 176.300 -0.000 0.000 1.075 488 M CA 1.514 56.808 55.300 -0.009 0.000 1.087 488 M CB -0.662 31.924 32.600 -0.022 0.000 1.340 488 M HN 0.564 nan 8.290 nan 0.000 0.402 489 I N -0.093 120.488 120.570 0.018 0.000 2.163 489 I HA -0.275 3.896 4.170 0.001 0.000 0.240 489 I C 1.904 178.030 176.117 0.015 0.000 1.081 489 I CA 1.206 62.515 61.300 0.015 0.000 1.353 489 I CB -0.573 37.440 38.000 0.022 0.000 1.054 489 I HN 0.210 nan 8.210 nan 0.000 0.407 490 D N 0.810 121.225 120.400 0.026 0.000 2.178 490 D HA -0.163 4.477 4.640 0.001 0.000 0.201 490 D C 2.030 178.339 176.300 0.015 0.000 0.980 490 D CA 1.367 55.382 54.000 0.024 0.000 0.842 490 D CB -0.205 40.616 40.800 0.036 0.000 0.948 490 D HN 0.336 nan 8.370 nan 0.000 0.472 491 M N -0.568 119.038 119.600 0.011 0.000 2.682 491 M HA 0.138 4.619 4.480 0.001 0.000 0.235 491 M C 0.971 177.261 176.300 -0.017 0.000 1.114 491 M CA 0.490 55.787 55.300 -0.006 0.000 1.053 491 M CB 0.219 32.807 32.600 -0.019 0.000 1.599 491 M HN 0.049 nan 8.290 nan 0.000 0.520 492 G N 1.821 110.615 108.800 -0.010 0.000 2.198 492 G HA2 -0.203 3.758 3.960 0.001 0.000 0.257 492 G HA3 -0.203 3.758 3.960 0.001 0.000 0.257 492 G C -0.220 174.667 174.900 -0.022 0.000 1.042 492 G CA -0.279 44.813 45.100 -0.013 0.000 0.791 492 G HN 0.426 nan 8.290 nan 0.000 0.502 493 I N 0.996 121.550 120.570 -0.027 0.000 2.464 493 I HA 0.585 4.756 4.170 0.001 0.000 0.277 493 I C 0.515 176.617 176.117 -0.025 0.000 1.040 493 I CA -0.845 60.433 61.300 -0.037 0.000 1.153 493 I CB 0.328 38.291 38.000 -0.063 0.000 1.274 493 I HN 0.378 nan 8.210 nan 0.000 0.469 494 L N 2.969 124.182 121.223 -0.017 0.000 2.503 494 L HA 0.877 5.218 4.340 0.001 0.000 0.248 494 L C -1.508 175.358 176.870 -0.006 0.000 1.126 494 L CA -0.823 54.012 54.840 -0.008 0.000 0.929 494 L CB 2.609 44.667 42.059 -0.001 0.000 1.544 494 L HN 0.033 nan 8.230 nan 0.000 0.404 495 D N -0.577 119.822 120.400 -0.001 0.000 2.947 495 D HA 0.404 5.044 4.640 0.001 0.000 0.224 495 D C -2.836 173.466 176.300 0.004 0.000 1.230 495 D CA -1.102 52.898 54.000 0.000 0.000 0.871 495 D CB 2.575 43.374 40.800 -0.002 0.000 1.671 495 D HN 0.301 nan 8.370 nan 0.000 0.507 496 P HA 0.029 nan 4.420 nan 0.000 0.262 496 P C 0.919 178.222 177.300 0.006 0.000 1.199 496 P CA 0.250 63.356 63.100 0.010 0.000 0.763 496 P CB 0.558 32.267 31.700 0.016 0.000 0.790 497 T N 3.225 117.782 114.554 0.005 0.000 2.635 497 T HA -0.311 4.039 4.350 0.001 0.000 0.265 497 T C 1.641 176.339 174.700 -0.003 0.000 1.058 497 T CA 1.793 63.894 62.100 0.002 0.000 1.162 497 T CB -0.444 68.425 68.868 0.002 0.000 0.859 497 T HN 0.510 nan 8.240 nan 0.000 0.449 498 K N 0.619 121.017 120.400 -0.002 0.000 2.015 498 K HA -0.207 4.113 4.320 0.001 0.000 0.216 498 K C 2.456 179.049 176.600 -0.012 0.000 1.052 498 K CA 2.271 58.553 56.287 -0.008 0.000 0.937 498 K CB -0.561 31.939 32.500 0.001 0.000 0.719 498 K HN 0.404 nan 8.250 nan 0.000 0.446 499 V N -0.873 119.039 119.914 -0.003 0.000 2.255 499 V HA -0.233 3.887 4.120 0.001 0.000 0.247 499 V C 1.991 178.085 176.094 -0.001 0.000 1.051 499 V CA 2.475 64.774 62.300 -0.001 0.000 1.018 499 V CB -1.391 30.431 31.823 -0.001 0.000 0.641 499 V HN 0.368 nan 8.190 nan 0.000 0.445 500 T N 0.380 114.933 114.554 -0.002 0.000 2.624 500 T HA -0.285 4.066 4.350 0.001 0.000 0.268 500 T C 1.965 176.660 174.700 -0.008 0.000 1.041 500 T CA 2.681 64.780 62.100 -0.001 0.000 1.159 500 T CB -0.468 68.400 68.868 -0.000 0.000 0.863 500 T HN 0.658 nan 8.240 nan 0.000 0.434 501 R N 0.849 121.337 120.500 -0.020 0.000 2.088 501 R HA -0.146 4.195 4.340 0.001 0.000 0.232 501 R C 2.645 178.907 176.300 -0.064 0.000 1.136 501 R CA 2.065 58.142 56.100 -0.038 0.000 0.926 501 R CB -0.573 29.700 30.300 -0.046 0.000 0.837 501 R HN 0.307 nan 8.270 nan 0.000 0.429 502 S N 0.918 116.570 115.700 -0.080 0.000 2.389 502 S HA -0.316 4.155 4.470 0.001 0.000 0.229 502 S C 2.083 176.656 174.600 -0.045 0.000 1.048 502 S CA 1.628 59.746 58.200 -0.137 0.000 1.117 502 S CB -0.844 62.325 63.200 -0.052 0.000 1.020 502 S HN 0.635 nan 8.310 nan 0.000 0.430 503 A N 2.448 125.293 122.820 0.043 0.000 1.863 503 A HA -0.192 4.128 4.320 0.001 0.000 0.218 503 A C 2.128 179.757 177.584 0.076 0.000 1.233 503 A CA 2.017 54.107 52.037 0.087 0.000 0.655 503 A CB -1.276 17.753 19.000 0.048 0.000 0.839 503 A HN 0.452 nan 8.150 nan 0.000 0.454 504 L N -0.308 120.933 121.223 0.029 0.000 2.051 504 L HA -0.297 4.044 4.340 0.001 0.000 0.214 504 L C 2.604 179.484 176.870 0.015 0.000 1.076 504 L CA 2.766 57.618 54.840 0.020 0.000 0.758 504 L CB -1.066 40.995 42.059 0.003 0.000 0.890 504 L HN 0.629 nan 8.230 nan 0.000 0.433 505 Q N -1.505 118.278 119.800 -0.029 0.000 2.046 505 Q HA -0.227 4.113 4.340 0.001 0.000 0.200 505 Q C 2.110 178.128 176.000 0.031 0.000 0.975 505 Q CA 1.607 57.375 55.803 -0.058 0.000 0.836 505 Q CB -0.300 28.329 28.738 -0.182 0.000 0.896 505 Q HN 0.445 nan 8.270 nan 0.000 0.428 506 Y N 0.803 121.102 120.300 -0.002 0.000 2.128 506 Y HA -0.249 4.301 4.550 0.001 0.000 0.284 506 Y C 2.488 178.387 175.900 -0.002 0.000 1.154 506 Y CA 0.909 59.008 58.100 -0.002 0.000 1.149 506 Y CB -1.026 37.432 38.460 -0.004 0.000 0.976 506 Y HN 0.150 nan 8.280 nan 0.000 0.505 507 A N -0.008 122.917 122.820 0.174 0.000 1.865 507 A HA -0.201 4.120 4.320 0.001 0.000 0.217 507 A C 2.547 180.173 177.584 0.070 0.000 1.191 507 A CA 2.418 54.509 52.037 0.090 0.000 0.623 507 A CB -1.385 17.652 19.000 0.061 0.000 0.826 507 A HN 0.421 nan 8.150 nan 0.000 0.444 508 A N -0.659 122.199 122.820 0.063 0.000 1.873 508 A HA -0.179 4.141 4.320 0.001 0.000 0.218 508 A C 2.452 180.067 177.584 0.051 0.000 1.193 508 A CA 2.557 54.620 52.037 0.043 0.000 0.629 508 A CB -1.312 17.705 19.000 0.029 0.000 0.826 508 A HN 0.726 nan 8.150 nan 0.000 0.447 509 S N -0.854 114.893 115.700 0.078 0.000 2.456 509 S HA -0.242 4.229 4.470 0.001 0.000 0.232 509 S C 1.964 176.600 174.600 0.060 0.000 1.046 509 S CA 2.593 60.844 58.200 0.085 0.000 1.175 509 S CB -1.072 62.228 63.200 0.166 0.000 1.129 509 S HN 0.998 nan 8.310 nan 0.000 0.420 510 V N 2.335 122.285 119.914 0.060 0.000 2.317 510 V HA -0.205 3.916 4.120 0.001 0.000 0.251 510 V C 2.591 178.699 176.094 0.022 0.000 1.065 510 V CA 2.673 64.990 62.300 0.030 0.000 1.049 510 V CB -1.516 30.316 31.823 0.014 0.000 0.651 510 V HN 0.705 nan 8.190 nan 0.000 0.450 511 A N 0.130 122.966 122.820 0.026 0.000 1.849 511 A HA -0.138 4.183 4.320 0.001 0.000 0.217 511 A C 2.484 180.077 177.584 0.015 0.000 1.202 511 A CA 2.425 54.473 52.037 0.018 0.000 0.629 511 A CB -1.770 17.242 19.000 0.020 0.000 0.834 511 A HN 0.769 nan 8.150 nan 0.000 0.447 512 G N -0.643 108.168 108.800 0.017 0.000 2.469 512 G HA2 -0.197 3.764 3.960 0.001 0.000 0.219 512 G HA3 -0.197 3.764 3.960 0.001 0.000 0.219 512 G C 1.449 176.356 174.900 0.011 0.000 1.150 512 G CA 1.295 46.403 45.100 0.014 0.000 0.763 512 G HN 0.385 nan 8.290 nan 0.000 0.561 513 L N 0.347 121.579 121.223 0.014 0.000 1.997 513 L HA -0.123 4.218 4.340 0.001 0.000 0.216 513 L C 3.039 179.912 176.870 0.004 0.000 1.074 513 L CA 1.886 56.732 54.840 0.010 0.000 0.763 513 L CB -0.427 41.640 42.059 0.013 0.000 0.890 513 L HN 0.281 nan 8.230 nan 0.000 0.434 514 M N -1.681 117.921 119.600 0.003 0.000 2.099 514 M HA -0.197 4.283 4.480 0.001 0.000 0.262 514 M C 2.182 178.480 176.300 -0.003 0.000 1.067 514 M CA 1.665 56.963 55.300 -0.002 0.000 1.124 514 M CB -0.405 32.194 32.600 -0.001 0.000 1.353 514 M HN 0.169 nan 8.290 nan 0.000 0.410 515 I N 0.373 120.943 120.570 0.001 0.000 2.623 515 I HA -0.262 3.908 4.170 0.001 0.000 0.261 515 I C 1.879 177.997 176.117 0.001 0.000 1.204 515 I CA 1.512 62.813 61.300 0.001 0.000 1.444 515 I CB -0.750 37.253 38.000 0.004 0.000 1.094 515 I HN 0.470 nan 8.210 nan 0.000 0.451 516 T N -4.514 110.041 114.554 0.001 0.000 3.044 516 T HA 0.139 4.489 4.350 0.001 0.000 0.260 516 T C 0.696 175.394 174.700 -0.003 0.000 1.019 516 T CA -0.253 61.848 62.100 0.002 0.000 0.921 516 T CB -0.231 68.639 68.868 0.004 0.000 1.053 516 T HN -0.019 nan 8.240 nan 0.000 0.533 517 T N 2.870 117.418 114.554 -0.009 0.000 2.851 517 T HA 0.265 4.616 4.350 0.001 0.000 0.298 517 T C 0.592 175.278 174.700 -0.023 0.000 0.977 517 T CA -0.338 61.750 62.100 -0.020 0.000 1.126 517 T CB 1.231 70.083 68.868 -0.026 0.000 0.916 517 T HN 0.125 nan 8.240 nan 0.000 0.529 518 E N 0.308 120.490 120.200 -0.031 0.000 2.539 518 E HA 0.188 4.539 4.350 0.001 0.000 0.215 518 E C 0.050 176.592 176.600 -0.096 0.000 0.965 518 E CA 0.029 56.420 56.400 -0.016 0.000 1.019 518 E CB 0.813 30.532 29.700 0.032 0.000 1.059 518 E HN 0.565 nan 8.360 nan 0.000 0.496 519 C N 0.498 119.693 119.300 -0.175 0.000 3.086 519 C HA 0.715 5.175 4.460 0.001 0.000 0.311 519 C C -1.531 173.325 174.990 -0.224 0.000 1.260 519 C CA -0.527 58.277 59.018 -0.357 0.000 1.426 519 C CB 0.749 28.202 27.740 -0.477 0.000 1.826 519 C HN 0.137 nan 8.230 nan 0.000 0.474 520 M N 4.678 124.142 119.600 -0.226 0.000 2.324 520 M HA 0.555 5.036 4.480 0.001 0.000 0.288 520 M C -1.210 175.176 176.300 0.144 0.000 1.097 520 M CA -0.466 54.828 55.300 -0.011 0.000 0.928 520 M CB 2.119 34.733 32.600 0.023 0.000 1.648 520 M HN 0.395 nan 8.290 nan 0.000 0.460 521 V N 1.178 121.171 119.914 0.130 0.000 2.680 521 V HA 0.899 5.020 4.120 0.001 0.000 0.309 521 V C -0.250 175.859 176.094 0.025 0.000 1.052 521 V CA -0.355 62.001 62.300 0.094 0.000 0.908 521 V CB 2.174 34.005 31.823 0.013 0.000 1.001 521 V HN 0.962 nan 8.190 nan 0.000 0.431 522 T N 1.356 115.865 114.554 -0.076 0.000 2.693 522 T HA 0.310 4.661 4.350 0.001 0.000 0.304 522 T C -1.759 172.836 174.700 -0.175 0.000 1.471 522 T CA -0.578 61.411 62.100 -0.185 0.000 0.993 522 T CB 1.883 70.502 68.868 -0.415 0.000 1.554 522 T HN 0.628 nan 8.240 nan 0.000 0.496 523 D N 1.208 121.510 120.400 -0.164 0.000 2.358 523 D HA 0.407 5.047 4.640 0.001 0.000 0.244 523 D C 0.171 176.384 176.300 -0.146 0.000 1.163 523 D CA -0.110 53.818 54.000 -0.120 0.000 0.945 523 D CB 0.513 41.259 40.800 -0.090 0.000 1.152 523 D HN 0.413 nan 8.370 nan 0.000 0.451 524 L N 1.971 123.139 121.223 -0.091 0.000 2.395 524 L HA 0.267 4.608 4.340 0.001 0.000 0.269 524 L C -1.221 175.607 176.870 -0.071 0.000 1.133 524 L CA -1.461 53.333 54.840 -0.077 0.000 0.812 524 L CB 0.245 42.281 42.059 -0.038 0.000 1.125 524 L HN 0.303 nan 8.230 nan 0.000 0.452 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.071 63.100 -0.049 0.000 0.800 525 P CB 0.000 31.681 31.700 -0.032 0.000 0.726