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 1ss8_1_F DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV 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 0.000 177.581 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 3 A N 1.573 124.393 122.820 -0.000 0.000 2.561 3 A HA 0.490 4.811 4.320 0.000 0.000 0.234 3 A C 0.292 177.877 177.584 0.002 0.000 1.055 3 A CA 0.539 52.579 52.037 0.006 0.000 0.756 3 A CB -0.106 18.900 19.000 0.009 0.000 0.986 3 A HN 0.643 nan 8.150 nan 0.000 0.505 4 K N 1.176 121.582 120.400 0.010 0.000 2.238 4 K HA 0.461 4.781 4.320 0.000 0.000 0.239 4 K C -1.116 175.504 176.600 0.034 0.000 0.987 4 K CA -0.754 55.537 56.287 0.007 0.000 0.857 4 K CB 1.360 33.865 32.500 0.007 0.000 1.154 4 K HN 0.715 nan 8.250 nan 0.000 0.439 5 D N 0.929 121.359 120.400 0.049 0.000 2.256 5 D HA 0.384 5.024 4.640 0.000 0.000 0.240 5 D C -1.211 175.215 176.300 0.210 0.000 1.062 5 D CA -0.550 53.535 54.000 0.142 0.000 0.832 5 D CB 1.292 42.206 40.800 0.190 0.000 1.135 5 D HN 0.068 nan 8.370 nan 0.000 0.484 6 V N 3.955 123.959 119.914 0.150 0.000 2.604 6 V HA 0.512 4.632 4.120 0.000 0.000 0.305 6 V C 0.160 176.189 176.094 -0.107 0.000 1.043 6 V CA -0.826 61.491 62.300 0.027 0.000 0.888 6 V CB 2.079 33.880 31.823 -0.037 0.000 0.995 6 V HN 0.395 nan 8.190 nan 0.000 0.429 7 K N 2.680 122.879 120.400 -0.335 0.000 2.395 7 K HA 0.766 5.086 4.320 0.000 0.000 0.247 7 K C -1.763 174.463 176.600 -0.624 0.000 0.973 7 K CA -0.617 55.418 56.287 -0.421 0.000 0.828 7 K CB 2.668 34.781 32.500 -0.646 0.000 1.272 7 K HN 0.447 nan 8.250 nan 0.000 0.439 8 F N -0.458 119.436 119.950 -0.094 0.000 2.603 8 F HA 0.354 4.881 4.527 0.001 0.000 0.317 8 F C 1.208 176.973 175.800 -0.058 0.000 1.066 8 F CA 0.076 58.044 58.000 -0.054 0.000 0.941 8 F CB 1.659 40.638 39.000 -0.036 0.000 1.291 8 F HN 0.832 nan 8.300 nan 0.000 0.472 9 G N 2.068 110.965 108.800 0.161 0.000 2.672 9 G HA2 -0.459 3.501 3.960 0.000 0.000 0.356 9 G HA3 -0.459 3.501 3.960 0.000 0.000 0.356 9 G C 1.081 175.997 174.900 0.026 0.000 1.312 9 G CA 1.302 46.447 45.100 0.077 0.000 0.980 9 G HN 0.825 nan 8.290 nan 0.000 0.540 10 N N 0.766 119.477 118.700 0.018 0.000 2.149 10 N HA -0.086 4.654 4.740 0.000 0.000 0.188 10 N C 1.677 177.173 175.510 -0.024 0.000 1.019 10 N CA 1.231 54.280 53.050 -0.002 0.000 0.857 10 N CB -0.207 38.280 38.487 -0.001 0.000 0.997 10 N HN 0.507 nan 8.380 nan 0.000 0.426 11 D N 0.907 121.288 120.400 -0.032 0.000 2.133 11 D HA -0.155 4.485 4.640 0.000 0.000 0.195 11 D C 1.946 178.160 176.300 -0.144 0.000 0.997 11 D CA 1.201 55.150 54.000 -0.084 0.000 0.840 11 D CB -0.384 40.357 40.800 -0.098 0.000 0.947 11 D HN 0.323 nan 8.370 nan 0.000 0.452 12 A N 0.535 123.272 122.820 -0.139 0.000 1.898 12 A HA 0.039 4.360 4.320 0.000 0.000 0.216 12 A C 2.369 179.911 177.584 -0.071 0.000 1.181 12 A CA 1.991 53.935 52.037 -0.155 0.000 0.620 12 A CB -1.078 17.849 19.000 -0.121 0.000 0.819 12 A HN 0.293 nan 8.150 nan 0.000 0.442 13 G N 0.119 108.896 108.800 -0.039 0.000 2.514 13 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 13 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 13 G C 1.716 176.607 174.900 -0.016 0.000 1.198 13 G CA 2.499 47.589 45.100 -0.016 0.000 0.780 13 G HN 1.132 nan 8.290 nan 0.000 0.565 14 V N -0.725 119.174 119.914 -0.025 0.000 2.490 14 V HA -0.061 4.059 4.120 0.000 0.000 0.250 14 V C 2.446 178.533 176.094 -0.011 0.000 1.061 14 V CA 2.448 64.738 62.300 -0.016 0.000 1.064 14 V CB -0.405 31.408 31.823 -0.017 0.000 0.670 14 V HN 0.191 nan 8.190 nan 0.000 0.461 15 K N 0.053 120.438 120.400 -0.025 0.000 2.062 15 K HA 0.044 4.364 4.320 0.000 0.000 0.205 15 K C 2.241 178.867 176.600 0.042 0.000 1.051 15 K CA 1.936 58.230 56.287 0.013 0.000 0.941 15 K CB -0.455 32.055 32.500 0.018 0.000 0.719 15 K HN 0.540 nan 8.250 nan 0.000 0.440 16 M N 0.565 120.185 119.600 0.034 0.000 2.117 16 M HA -0.167 4.313 4.480 0.000 0.000 0.262 16 M C 2.298 178.614 176.300 0.028 0.000 1.065 16 M CA 1.168 56.492 55.300 0.040 0.000 1.114 16 M CB -0.423 32.197 32.600 0.033 0.000 1.361 16 M HN 0.031 nan 8.290 nan 0.000 0.408 17 L N 0.699 121.933 121.223 0.019 0.000 2.017 17 L HA -0.171 4.169 4.340 0.000 0.000 0.208 17 L C 2.480 179.361 176.870 0.018 0.000 1.073 17 L CA 1.858 56.708 54.840 0.016 0.000 0.745 17 L CB -0.499 41.566 42.059 0.011 0.000 0.894 17 L HN 0.144 nan 8.230 nan 0.000 0.432 18 R N -0.360 120.151 120.500 0.019 0.000 2.103 18 R HA -0.152 4.188 4.340 0.000 0.000 0.242 18 R C 2.215 178.529 176.300 0.024 0.000 1.142 18 R CA 1.326 57.438 56.100 0.021 0.000 0.960 18 R CB -1.207 29.106 30.300 0.023 0.000 0.858 18 R HN 0.610 nan 8.270 nan 0.000 0.439 19 G N 0.704 109.522 108.800 0.030 0.000 2.421 19 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 19 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 19 G C 1.515 176.427 174.900 0.021 0.000 1.171 19 G CA 0.842 45.959 45.100 0.029 0.000 0.775 19 G HN 0.141 nan 8.290 nan 0.000 0.543 20 V N 1.614 121.540 119.914 0.021 0.000 2.343 20 V HA -0.200 3.920 4.120 0.000 0.000 0.247 20 V C 2.650 178.753 176.094 0.015 0.000 1.051 20 V CA 1.886 64.197 62.300 0.017 0.000 1.036 20 V CB -0.484 31.350 31.823 0.018 0.000 0.654 20 V HN 0.322 nan 8.190 nan 0.000 0.451 21 N N 0.086 118.795 118.700 0.015 0.000 2.244 21 N HA -0.107 4.634 4.740 0.000 0.000 0.183 21 N C 1.761 177.278 175.510 0.012 0.000 1.016 21 N CA 1.223 54.281 53.050 0.013 0.000 0.866 21 N CB -0.330 38.164 38.487 0.012 0.000 0.980 21 N HN 0.370 nan 8.380 nan 0.000 0.430 22 V N 1.544 121.466 119.914 0.013 0.000 2.270 22 V HA -0.179 3.941 4.120 0.000 0.000 0.245 22 V C 2.412 178.511 176.094 0.009 0.000 1.043 22 V CA 1.002 63.308 62.300 0.011 0.000 1.014 22 V CB -0.609 31.221 31.823 0.012 0.000 0.645 22 V HN 0.170 nan 8.190 nan 0.000 0.447 23 L N 1.041 122.269 121.223 0.009 0.000 1.963 23 L HA -0.217 4.124 4.340 0.000 0.000 0.220 23 L C 2.447 179.322 176.870 0.008 0.000 1.076 23 L CA 2.807 57.651 54.840 0.007 0.000 0.772 23 L CB -1.065 40.998 42.059 0.008 0.000 0.892 23 L HN 0.240 nan 8.230 nan 0.000 0.435 24 A N -1.157 121.669 122.820 0.009 0.000 1.902 24 A HA -0.205 4.115 4.320 0.000 0.000 0.217 24 A C 1.989 179.578 177.584 0.009 0.000 1.181 24 A CA 1.812 53.855 52.037 0.010 0.000 0.623 24 A CB -0.904 18.103 19.000 0.012 0.000 0.818 24 A HN 0.604 nan 8.150 nan 0.000 0.443 25 D N 0.110 120.515 120.400 0.009 0.000 2.144 25 D HA -0.022 4.618 4.640 0.000 0.000 0.200 25 D C 2.188 178.493 176.300 0.007 0.000 0.978 25 D CA 1.387 55.392 54.000 0.008 0.000 0.833 25 D CB -0.393 40.412 40.800 0.008 0.000 0.961 25 D HN 0.428 nan 8.370 nan 0.000 0.470 26 A N 0.439 123.263 122.820 0.007 0.000 1.902 26 A HA -0.117 4.203 4.320 0.000 0.000 0.217 26 A C 2.485 180.072 177.584 0.005 0.000 1.181 26 A CA 1.087 53.127 52.037 0.006 0.000 0.623 26 A CB -0.652 18.351 19.000 0.005 0.000 0.818 26 A HN 0.157 nan 8.150 nan 0.000 0.443 27 V N 1.118 121.036 119.914 0.005 0.000 2.488 27 V HA -0.189 3.932 4.120 0.000 0.000 0.246 27 V C 2.555 178.652 176.094 0.006 0.000 1.046 27 V CA 2.107 64.409 62.300 0.005 0.000 1.053 27 V CB -0.490 31.335 31.823 0.004 0.000 0.679 27 V HN 0.833 nan 8.190 nan 0.000 0.458 28 K N 1.144 121.548 120.400 0.007 0.000 2.365 28 K HA -0.063 4.257 4.320 0.000 0.000 0.199 28 K C 1.880 178.485 176.600 0.007 0.000 1.045 28 K CA 1.566 57.858 56.287 0.008 0.000 0.962 28 K CB -0.590 31.916 32.500 0.009 0.000 0.759 28 K HN 0.460 nan 8.250 nan 0.000 0.469 29 V N 0.806 120.724 119.914 0.007 0.000 2.828 29 V HA -0.189 3.931 4.120 0.000 0.000 0.260 29 V C 2.079 178.176 176.094 0.006 0.000 1.101 29 V CA 2.081 64.384 62.300 0.006 0.000 1.123 29 V CB -1.438 30.388 31.823 0.005 0.000 0.704 29 V HN 0.549 nan 8.190 nan 0.000 0.493 30 T N -2.300 112.257 114.554 0.005 0.000 3.129 30 T HA 0.273 4.623 4.350 0.000 0.000 0.251 30 T C 0.477 175.180 174.700 0.004 0.000 1.117 30 T CA 0.009 62.111 62.100 0.004 0.000 1.034 30 T CB -0.213 68.657 68.868 0.003 0.000 0.968 30 T HN 0.418 nan 8.240 nan 0.000 0.526 31 L N 2.455 123.682 121.223 0.007 0.000 2.367 31 L HA 0.588 4.928 4.340 0.000 0.000 0.275 31 L C 0.726 177.601 176.870 0.009 0.000 1.129 31 L CA 1.413 56.258 54.840 0.008 0.000 0.839 31 L CB -0.220 41.846 42.059 0.011 0.000 1.133 31 L HN 0.640 nan 8.230 nan 0.000 0.453 32 G N 4.407 113.210 108.800 0.007 0.000 2.756 32 G HA2 -0.162 3.798 3.960 0.000 0.000 0.678 32 G HA3 -0.162 3.798 3.960 0.000 0.000 0.678 32 G C -2.025 172.874 174.900 -0.002 0.000 1.349 32 G CA -0.351 44.752 45.100 0.005 0.000 0.847 32 G HN 0.566 nan 8.290 nan 0.000 0.548 33 P HA 0.020 nan 4.420 nan 0.000 0.222 33 P C 1.011 178.304 177.300 -0.012 0.000 1.147 33 P CA 1.266 64.356 63.100 -0.017 0.000 0.790 33 P CB 0.072 31.752 31.700 -0.034 0.000 0.780 34 K N 0.040 120.437 120.400 -0.004 0.000 2.576 34 K HA 0.304 4.625 4.320 0.000 0.000 0.209 34 K C 0.871 177.473 176.600 0.003 0.000 1.049 34 K CA -0.248 56.039 56.287 0.000 0.000 1.140 34 K CB -0.215 32.289 32.500 0.007 0.000 0.871 34 K HN 0.014 nan 8.250 nan 0.000 0.479 35 G N 1.114 109.915 108.800 0.002 0.000 2.484 35 G HA2 0.000 3.960 3.960 0.000 0.000 0.235 35 G HA3 0.000 3.960 3.960 0.000 0.000 0.235 35 G C -0.119 174.782 174.900 0.002 0.000 1.282 35 G CA -0.414 44.688 45.100 0.003 0.000 0.857 35 G HN 0.114 nan 8.290 nan 0.000 0.571 36 R N 1.162 121.664 120.500 0.003 0.000 2.549 36 R HA 0.248 4.589 4.340 0.000 0.000 0.267 36 R C 0.340 176.642 176.300 0.002 0.000 1.045 36 R CA -0.924 55.177 56.100 0.003 0.000 1.115 36 R CB 0.323 30.625 30.300 0.004 0.000 1.121 36 R HN 0.553 nan 8.270 nan 0.000 0.543 37 N N 0.083 118.785 118.700 0.002 0.000 2.503 37 N HA 0.149 4.889 4.740 0.000 0.000 0.267 37 N C -0.528 174.984 175.510 0.003 0.000 1.214 37 N CA -0.097 52.955 53.050 0.003 0.000 0.959 37 N CB 1.150 39.639 38.487 0.003 0.000 1.142 37 N HN 0.096 nan 8.380 nan 0.000 0.455 38 V N 1.644 121.560 119.914 0.004 0.000 2.555 38 V HA 0.305 4.426 4.120 0.000 0.000 0.302 38 V C 0.090 176.188 176.094 0.006 0.000 1.038 38 V CA -0.836 61.466 62.300 0.005 0.000 0.887 38 V CB 2.046 33.872 31.823 0.004 0.000 0.991 38 V HN 0.283 nan 8.190 nan 0.000 0.434 39 V N 6.295 126.213 119.914 0.006 0.000 2.394 39 V HA 0.488 4.609 4.120 0.000 0.000 0.282 39 V C -0.276 175.823 176.094 0.010 0.000 1.031 39 V CA -0.388 61.917 62.300 0.008 0.000 0.881 39 V CB 1.343 33.171 31.823 0.008 0.000 0.982 39 V HN 0.622 nan 8.190 nan 0.000 0.451 40 L N 3.801 125.031 121.223 0.012 0.000 2.325 40 L HA 0.554 4.894 4.340 0.000 0.000 0.281 40 L C -0.154 176.727 176.870 0.019 0.000 1.004 40 L CA -0.622 54.226 54.840 0.014 0.000 0.823 40 L CB 1.739 43.805 42.059 0.012 0.000 1.236 40 L HN 0.476 nan 8.230 nan 0.000 0.415 41 D N 2.660 123.071 120.400 0.019 0.000 2.361 41 D HA 0.298 4.939 4.640 0.000 0.000 0.239 41 D C -0.482 175.839 176.300 0.036 0.000 1.200 41 D CA 0.192 54.206 54.000 0.024 0.000 0.915 41 D CB 0.867 41.679 40.800 0.019 0.000 1.170 41 D HN 0.171 nan 8.370 nan 0.000 0.444 42 K N -0.174 120.256 120.400 0.050 0.000 2.502 42 K HA 0.302 4.623 4.320 0.000 0.000 0.257 42 K C 0.513 177.161 176.600 0.081 0.000 0.938 42 K CA -0.644 55.690 56.287 0.079 0.000 0.819 42 K CB 1.622 34.196 32.500 0.123 0.000 1.333 42 K HN 0.235 nan 8.250 nan 0.000 0.434 43 S N 0.503 116.261 115.700 0.097 0.000 2.461 43 S HA -0.056 4.414 4.470 0.000 0.000 0.228 43 S C 1.607 176.279 174.600 0.119 0.000 1.005 43 S CA 0.218 58.471 58.200 0.088 0.000 0.942 43 S CB -0.258 62.992 63.200 0.082 0.000 0.776 43 S HN 0.545 nan 8.310 nan 0.000 0.514 44 F N 2.840 122.788 119.950 -0.003 0.000 2.161 44 F HA 0.165 4.692 4.527 0.000 0.000 0.300 44 F C 1.589 177.387 175.800 -0.003 0.000 1.089 44 F CA 1.076 59.074 58.000 -0.003 0.000 1.282 44 F CB -0.491 38.507 39.000 -0.003 0.000 1.010 44 F HN 0.348 nan 8.300 nan 0.000 0.485 45 G N -1.559 107.222 108.800 -0.032 0.000 2.528 45 G HA2 0.369 4.329 3.960 0.000 0.000 0.078 45 G HA3 0.369 4.329 3.960 0.000 0.000 0.078 45 G C -0.885 173.996 174.900 -0.031 0.000 1.008 45 G CA -0.214 44.823 45.100 -0.106 0.000 1.309 45 G HN 0.392 nan 8.290 nan 0.000 0.564 46 A N 2.297 125.104 122.820 -0.021 0.000 2.354 46 A HA 0.718 5.038 4.320 0.000 0.000 0.269 46 A C -1.580 176.018 177.584 0.022 0.000 1.109 46 A CA -0.734 51.302 52.037 -0.002 0.000 0.800 46 A CB -0.210 18.788 19.000 -0.005 0.000 1.045 46 A HN 0.446 nan 8.150 nan 0.000 0.489 47 P HA 0.169 nan 4.420 nan 0.000 0.270 47 P C 0.057 177.373 177.300 0.027 0.000 1.227 47 P CA 0.151 63.267 63.100 0.027 0.000 0.788 47 P CB 0.378 32.089 31.700 0.017 0.000 0.926 48 T N -1.225 113.347 114.554 0.028 0.000 2.902 48 T HA 0.655 5.005 4.350 0.000 0.000 0.283 48 T C -0.071 174.638 174.700 0.016 0.000 1.009 48 T CA -0.782 61.333 62.100 0.025 0.000 1.051 48 T CB 0.376 69.261 68.868 0.029 0.000 0.999 48 T HN 0.216 nan 8.240 nan 0.000 0.474 49 I N 2.376 122.954 120.570 0.013 0.000 2.406 49 I HA 0.541 4.712 4.170 0.000 0.000 0.290 49 I C 0.244 176.365 176.117 0.007 0.000 0.999 49 I CA -0.569 60.736 61.300 0.009 0.000 1.124 49 I CB 2.107 40.111 38.000 0.007 0.000 1.289 49 I HN 0.764 nan 8.210 nan 0.000 0.441 50 T N 4.186 118.743 114.554 0.005 0.000 2.894 50 T HA 0.375 4.725 4.350 0.000 0.000 0.309 50 T C -0.057 174.644 174.700 0.002 0.000 1.208 50 T CA -0.546 61.556 62.100 0.003 0.000 1.016 50 T CB 1.703 70.573 68.868 0.003 0.000 1.192 50 T HN 0.655 nan 8.240 nan 0.000 0.491 51 K N 1.186 121.586 120.400 -0.000 0.000 2.387 51 K HA 0.185 4.505 4.320 0.000 0.000 0.203 51 K C -0.350 176.249 176.600 -0.001 0.000 1.030 51 K CA -0.292 55.995 56.287 -0.001 0.000 1.099 51 K CB 0.503 33.002 32.500 -0.002 0.000 0.863 51 K HN 0.412 nan 8.250 nan 0.000 0.529 52 D N 0.357 120.756 120.400 -0.002 0.000 2.365 52 D HA 0.067 4.707 4.640 0.000 0.000 0.237 52 D C 0.935 177.234 176.300 -0.002 0.000 1.190 52 D CA -0.010 53.988 54.000 -0.003 0.000 0.867 52 D CB 1.385 42.182 40.800 -0.005 0.000 1.050 52 D HN 0.253 nan 8.370 nan 0.000 0.491 53 G N 2.611 111.410 108.800 -0.001 0.000 2.484 53 G HA2 -0.131 3.830 3.960 0.000 0.000 0.218 53 G HA3 -0.131 3.830 3.960 0.000 0.000 0.218 53 G C 1.624 176.522 174.900 -0.003 0.000 1.130 53 G CA 0.260 45.360 45.100 -0.000 0.000 0.784 53 G HN 0.475 nan 8.290 nan 0.000 0.543 54 V N 1.742 121.654 119.914 -0.004 0.000 2.255 54 V HA -0.230 3.890 4.120 0.000 0.000 0.247 54 V C 3.126 179.216 176.094 -0.007 0.000 1.051 54 V CA 2.365 64.661 62.300 -0.007 0.000 1.018 54 V CB -0.733 31.086 31.823 -0.008 0.000 0.641 54 V HN 0.423 nan 8.190 nan 0.000 0.445 55 S N 0.005 115.701 115.700 -0.006 0.000 2.387 55 S HA -0.205 4.266 4.470 0.000 0.000 0.230 55 S C 1.945 176.543 174.600 -0.004 0.000 1.035 55 S CA 1.670 59.866 58.200 -0.006 0.000 1.014 55 S CB -0.481 62.716 63.200 -0.004 0.000 0.836 55 S HN 0.401 nan 8.310 nan 0.000 0.466 56 V N 2.136 122.048 119.914 -0.002 0.000 2.323 56 V HA -0.129 3.991 4.120 0.000 0.000 0.244 56 V C 2.794 178.887 176.094 -0.002 0.000 1.041 56 V CA 1.465 63.765 62.300 -0.001 0.000 1.025 56 V CB -1.408 30.416 31.823 0.001 0.000 0.656 56 V HN 0.557 nan 8.190 nan 0.000 0.451 57 A N 0.454 123.272 122.820 -0.004 0.000 1.927 57 A HA -0.330 3.991 4.320 0.000 0.000 0.220 57 A C 2.413 179.992 177.584 -0.008 0.000 1.185 57 A CA 2.465 54.499 52.037 -0.006 0.000 0.639 57 A CB -0.679 18.317 19.000 -0.008 0.000 0.820 57 A HN 0.526 nan 8.150 nan 0.000 0.451 58 R N -0.634 119.861 120.500 -0.010 0.000 2.120 58 R HA -0.131 4.209 4.340 0.000 0.000 0.234 58 R C 1.306 177.599 176.300 -0.011 0.000 1.123 58 R CA 1.522 57.614 56.100 -0.013 0.000 0.975 58 R CB -0.147 30.144 30.300 -0.015 0.000 0.866 58 R HN 0.422 nan 8.270 nan 0.000 0.446 59 E N 0.439 120.635 120.200 -0.007 0.000 2.427 59 E HA -0.013 4.337 4.350 0.000 0.000 0.196 59 E C 0.258 176.856 176.600 -0.003 0.000 1.028 59 E CA 0.226 56.623 56.400 -0.004 0.000 0.864 59 E CB 0.153 29.852 29.700 -0.000 0.000 0.813 59 E HN 0.275 nan 8.360 nan 0.000 0.514 60 I N 2.010 122.577 120.570 -0.004 0.000 2.452 60 I HA 0.133 4.303 4.170 0.000 0.000 0.287 60 I C 0.373 176.488 176.117 -0.004 0.000 1.079 60 I CA 0.168 61.467 61.300 -0.002 0.000 1.387 60 I CB 0.193 38.193 38.000 -0.000 0.000 1.404 60 I HN -0.061 nan 8.210 nan 0.000 0.522 61 E N 7.040 127.239 120.200 -0.003 0.000 2.304 61 E HA 0.547 4.897 4.350 0.000 0.000 0.277 61 E C -1.769 174.829 176.600 -0.003 0.000 0.898 61 E CA -0.599 55.797 56.400 -0.005 0.000 0.764 61 E CB 2.173 31.868 29.700 -0.008 0.000 1.216 61 E HN 0.448 nan 8.360 nan 0.000 0.419 62 L N 3.412 124.633 121.223 -0.004 0.000 2.330 62 L HA 0.373 4.713 4.340 0.000 0.000 0.271 62 L C 1.364 178.232 176.870 -0.003 0.000 1.013 62 L CA -0.508 54.333 54.840 0.001 0.000 0.816 62 L CB 1.798 43.862 42.059 0.009 0.000 1.287 62 L HN 0.762 nan 8.230 nan 0.000 0.435 63 E N 0.914 121.116 120.200 0.002 0.000 2.072 63 E HA -0.172 4.178 4.350 0.000 0.000 0.191 63 E C 0.504 177.103 176.600 -0.002 0.000 0.985 63 E CA 0.604 57.003 56.400 -0.001 0.000 0.801 63 E CB 0.272 29.974 29.700 0.004 0.000 0.750 63 E HN 0.659 nan 8.360 nan 0.000 0.452 64 D N 0.614 121.024 120.400 0.016 0.000 2.417 64 D HA -0.062 4.578 4.640 0.000 0.000 0.250 64 D C 0.624 176.924 176.300 0.001 0.000 1.166 64 D CA 0.056 54.076 54.000 0.033 0.000 0.881 64 D CB 1.009 41.855 40.800 0.075 0.000 1.164 64 D HN 0.075 nan 8.370 nan 0.000 0.467 65 K N 3.668 124.019 120.400 -0.081 0.000 2.211 65 K HA -0.124 4.196 4.320 0.000 0.000 0.203 65 K C 1.869 178.337 176.600 -0.219 0.000 1.050 65 K CA 0.881 57.047 56.287 -0.201 0.000 0.945 65 K CB -0.233 32.064 32.500 -0.339 0.000 0.732 65 K HN 0.456 nan 8.250 nan 0.000 0.451 66 F N 2.195 122.135 119.950 -0.016 0.000 2.163 66 F HA -0.041 4.486 4.527 0.000 0.000 0.297 66 F C 2.411 178.202 175.800 -0.015 0.000 1.094 66 F CA 1.020 59.008 58.000 -0.020 0.000 1.290 66 F CB -0.411 38.575 39.000 -0.023 0.000 1.017 66 F HN 0.061 nan 8.300 nan 0.000 0.483 67 E N 0.118 120.421 120.200 0.172 0.000 2.077 67 E HA -0.250 4.100 4.350 0.000 0.000 0.193 67 E C 2.067 178.699 176.600 0.054 0.000 0.989 67 E CA 1.121 57.577 56.400 0.094 0.000 0.800 67 E CB -0.455 29.287 29.700 0.069 0.000 0.746 67 E HN 0.411 nan 8.360 nan 0.000 0.452 68 N N 0.650 119.368 118.700 0.029 0.000 2.166 68 N HA -0.172 4.569 4.740 0.000 0.000 0.186 68 N C 1.870 177.380 175.510 0.000 0.000 1.019 68 N CA 1.010 54.062 53.050 0.003 0.000 0.856 68 N CB 0.018 38.493 38.487 -0.021 0.000 0.993 68 N HN 0.182 nan 8.380 nan 0.000 0.426 69 M N 0.106 119.707 119.600 0.002 0.000 2.175 69 M HA -0.049 4.432 4.480 0.000 0.000 0.264 69 M C 2.349 178.662 176.300 0.023 0.000 1.063 69 M CA 1.383 56.685 55.300 0.004 0.000 1.119 69 M CB -0.541 32.062 32.600 0.007 0.000 1.377 69 M HN 0.182 nan 8.290 nan 0.000 0.415 70 G N 0.502 109.326 108.800 0.041 0.000 2.553 70 G HA2 -0.281 3.680 3.960 0.000 0.000 0.218 70 G HA3 -0.281 3.680 3.960 0.000 0.000 0.218 70 G C 1.606 176.519 174.900 0.022 0.000 1.195 70 G CA 1.381 46.503 45.100 0.035 0.000 0.779 70 G HN 0.546 nan 8.290 nan 0.000 0.577 71 A N -0.101 122.730 122.820 0.018 0.000 1.877 71 A HA -0.097 4.223 4.320 0.000 0.000 0.216 71 A C 2.432 180.018 177.584 0.004 0.000 1.186 71 A CA 2.149 54.192 52.037 0.010 0.000 0.620 71 A CB -0.414 18.591 19.000 0.008 0.000 0.822 71 A HN 0.374 nan 8.150 nan 0.000 0.443 72 Q N -0.741 119.060 119.800 0.001 0.000 2.119 72 Q HA -0.117 4.224 4.340 0.000 0.000 0.201 72 Q C 2.130 178.128 176.000 -0.003 0.000 0.972 72 Q CA 1.503 57.303 55.803 -0.005 0.000 0.847 72 Q CB -0.543 28.188 28.738 -0.011 0.000 0.903 72 Q HN 0.770 nan 8.270 nan 0.000 0.433 73 M N -0.022 119.580 119.600 0.004 0.000 2.065 73 M HA -0.175 4.305 4.480 0.000 0.000 0.259 73 M C 2.302 178.607 176.300 0.009 0.000 1.069 73 M CA 1.389 56.694 55.300 0.008 0.000 1.110 73 M CB -0.384 32.226 32.600 0.016 0.000 1.328 73 M HN -0.028 nan 8.290 nan 0.000 0.405 74 V N 0.272 120.193 119.914 0.011 0.000 2.343 74 V HA -0.286 3.834 4.120 0.000 0.000 0.247 74 V C 2.144 178.237 176.094 -0.002 0.000 1.051 74 V CA 1.839 64.145 62.300 0.011 0.000 1.036 74 V CB -0.765 31.067 31.823 0.015 0.000 0.654 74 V HN 0.437 nan 8.190 nan 0.000 0.451 75 K N -0.223 120.173 120.400 -0.007 0.000 2.032 75 K HA -0.213 4.107 4.320 0.000 0.000 0.209 75 K C 2.321 178.903 176.600 -0.031 0.000 1.048 75 K CA 1.672 57.948 56.287 -0.017 0.000 0.927 75 K CB -0.240 32.251 32.500 -0.016 0.000 0.712 75 K HN 0.452 nan 8.250 nan 0.000 0.441 76 E N 0.526 120.710 120.200 -0.027 0.000 2.058 76 E HA -0.194 4.156 4.350 0.000 0.000 0.194 76 E C 1.982 178.542 176.600 -0.066 0.000 0.997 76 E CA 1.446 57.822 56.400 -0.039 0.000 0.801 76 E CB 0.141 29.826 29.700 -0.024 0.000 0.746 76 E HN 0.072 nan 8.360 nan 0.000 0.450 77 V N 0.918 120.806 119.914 -0.044 0.000 2.323 77 V HA -0.188 3.932 4.120 0.000 0.000 0.244 77 V C 2.426 178.427 176.094 -0.154 0.000 1.041 77 V CA 1.563 63.828 62.300 -0.060 0.000 1.025 77 V CB -0.685 31.163 31.823 0.041 0.000 0.656 77 V HN 0.323 nan 8.190 nan 0.000 0.451 78 A N 0.852 123.627 122.820 -0.075 0.000 2.024 78 A HA -0.210 4.110 4.320 0.000 0.000 0.220 78 A C 2.402 179.902 177.584 -0.140 0.000 1.164 78 A CA 2.130 54.120 52.037 -0.078 0.000 0.643 78 A CB -0.673 18.313 19.000 -0.024 0.000 0.806 78 A HN 0.703 nan 8.150 nan 0.000 0.451 79 S N -0.983 114.634 115.700 -0.139 0.000 2.607 79 S HA 0.028 4.498 4.470 0.000 0.000 0.224 79 S C 1.489 175.963 174.600 -0.211 0.000 0.969 79 S CA 0.985 59.105 58.200 -0.132 0.000 0.927 79 S CB -0.137 63.011 63.200 -0.086 0.000 0.772 79 S HN 0.603 nan 8.310 nan 0.000 0.533 80 K N 0.981 121.144 120.400 -0.395 0.000 2.243 80 K HA 0.264 4.585 4.320 0.000 0.000 0.201 80 K C 2.432 178.692 176.600 -0.567 0.000 1.051 80 K CA 0.735 56.685 56.287 -0.562 0.000 0.970 80 K CB -0.356 31.593 32.500 -0.919 0.000 0.755 80 K HN 0.452 nan 8.250 nan 0.000 0.465 81 A N 2.006 124.524 122.820 -0.503 0.000 1.851 81 A HA -0.271 4.049 4.320 0.000 0.000 0.216 81 A C 1.825 179.387 177.584 -0.035 0.000 1.195 81 A CA 2.124 54.100 52.037 -0.101 0.000 0.622 81 A CB -0.828 18.194 19.000 0.036 0.000 0.831 81 A HN 0.255 nan 8.150 nan 0.000 0.444 82 N N 0.280 118.952 118.700 -0.046 0.000 2.094 82 N HA -0.153 4.587 4.740 0.000 0.000 0.191 82 N C 1.260 176.762 175.510 -0.013 0.000 1.023 82 N CA 1.696 54.740 53.050 -0.010 0.000 0.857 82 N CB -0.313 38.168 38.487 -0.011 0.000 1.013 82 N HN 0.486 nan 8.380 nan 0.000 0.426 83 D N -0.201 120.166 120.400 -0.056 0.000 2.104 83 D HA -0.101 4.540 4.640 0.000 0.000 0.194 83 D C 1.783 178.064 176.300 -0.031 0.000 0.994 83 D CA 1.400 55.370 54.000 -0.050 0.000 0.830 83 D CB -0.473 40.279 40.800 -0.080 0.000 0.959 83 D HN 0.325 nan 8.370 nan 0.000 0.452 84 A N 0.294 123.110 122.820 -0.007 0.000 1.897 84 A HA 0.187 4.507 4.320 0.000 0.000 0.215 84 A C 2.054 179.652 177.584 0.023 0.000 1.181 84 A CA 2.026 54.087 52.037 0.040 0.000 0.620 84 A CB -0.164 18.923 19.000 0.145 0.000 0.821 84 A HN 0.247 nan 8.150 nan 0.000 0.443 85 A N -3.243 119.597 122.820 0.033 0.000 2.419 85 A HA 0.477 4.797 4.320 0.000 0.000 0.233 85 A C 1.587 179.197 177.584 0.042 0.000 1.217 85 A CA 1.021 53.079 52.037 0.034 0.000 0.944 85 A CB -0.039 18.993 19.000 0.054 0.000 1.025 85 A HN 1.856 nan 8.150 nan 0.000 0.524 86 G N -0.977 107.856 108.800 0.055 0.000 2.175 86 G HA2 -0.125 3.836 3.960 0.000 0.000 0.244 86 G HA3 -0.125 3.836 3.960 0.000 0.000 0.244 86 G C -0.193 174.763 174.900 0.094 0.000 0.982 86 G CA 0.486 45.666 45.100 0.132 0.000 0.641 86 G HN 0.875 nan 8.290 nan 0.000 0.527 87 D N -2.816 117.618 120.400 0.056 0.000 2.764 87 D HA 0.566 5.207 4.640 0.000 0.000 0.293 87 D C 0.949 177.269 176.300 0.034 0.000 1.287 87 D CA 1.489 55.512 54.000 0.039 0.000 0.768 87 D CB 0.425 41.248 40.800 0.039 0.000 1.288 87 D HN 1.418 nan 8.370 nan 0.000 0.426 88 G N -0.417 108.399 108.800 0.028 0.000 2.195 88 G HA2 -0.281 3.679 3.960 0.000 0.000 0.224 88 G HA3 -0.281 3.679 3.960 0.000 0.000 0.224 88 G C 1.146 176.061 174.900 0.025 0.000 0.990 88 G CA 0.949 46.069 45.100 0.033 0.000 0.639 88 G HN 0.574 nan 8.290 nan 0.000 0.514 89 T N 1.261 115.820 114.554 0.008 0.000 2.635 89 T HA -0.132 4.218 4.350 0.000 0.000 0.267 89 T C 2.530 177.233 174.700 0.004 0.000 1.040 89 T CA 2.534 64.631 62.100 -0.005 0.000 1.156 89 T CB -0.535 68.323 68.868 -0.018 0.000 0.863 89 T HN 0.469 nan 8.240 nan 0.000 0.430 90 T N 1.557 116.115 114.554 0.007 0.000 2.759 90 T HA -0.113 4.237 4.350 0.000 0.000 0.269 90 T C 2.223 176.932 174.700 0.016 0.000 1.042 90 T CA 1.605 63.710 62.100 0.009 0.000 1.140 90 T CB -0.611 68.262 68.868 0.008 0.000 0.864 90 T HN 0.410 nan 8.240 nan 0.000 0.455 91 T N 1.841 116.407 114.554 0.021 0.000 2.777 91 T HA 0.029 4.379 4.350 0.000 0.000 0.266 91 T C 2.431 177.151 174.700 0.033 0.000 1.040 91 T CA 1.046 63.162 62.100 0.027 0.000 1.141 91 T CB -0.523 68.363 68.868 0.031 0.000 0.868 91 T HN 0.431 nan 8.240 nan 0.000 0.444 92 A N 1.309 124.153 122.820 0.040 0.000 1.940 92 A HA -0.161 4.160 4.320 0.000 0.000 0.219 92 A C 2.525 180.132 177.584 0.039 0.000 1.176 92 A CA 2.169 54.237 52.037 0.052 0.000 0.631 92 A CB -1.237 17.801 19.000 0.062 0.000 0.814 92 A HN 0.478 nan 8.150 nan 0.000 0.446 93 T N -0.493 114.076 114.554 0.025 0.000 2.777 93 T HA -0.088 4.262 4.350 0.000 0.000 0.266 93 T C 1.893 176.605 174.700 0.020 0.000 1.040 93 T CA 1.470 63.581 62.100 0.020 0.000 1.141 93 T CB -0.395 68.480 68.868 0.012 0.000 0.868 93 T HN 0.173 nan 8.240 nan 0.000 0.444 94 V N 1.683 121.609 119.914 0.020 0.000 2.295 94 V HA -0.144 3.976 4.120 0.000 0.000 0.246 94 V C 2.491 178.598 176.094 0.021 0.000 1.049 94 V CA 1.506 63.818 62.300 0.019 0.000 1.024 94 V CB -0.778 31.056 31.823 0.018 0.000 0.648 94 V HN 0.417 nan 8.190 nan 0.000 0.447 95 L N 0.173 121.412 121.223 0.026 0.000 1.989 95 L HA -0.214 4.126 4.340 0.000 0.000 0.211 95 L C 2.797 179.683 176.870 0.027 0.000 1.071 95 L CA 1.872 56.728 54.840 0.027 0.000 0.749 95 L CB -0.956 41.123 42.059 0.033 0.000 0.890 95 L HN 0.356 nan 8.230 nan 0.000 0.431 96 A N -0.473 122.366 122.820 0.031 0.000 1.892 96 A HA -0.335 3.986 4.320 0.000 0.000 0.218 96 A C 2.276 179.874 177.584 0.023 0.000 1.188 96 A CA 2.171 54.226 52.037 0.030 0.000 0.631 96 A CB -0.808 18.212 19.000 0.034 0.000 0.822 96 A HN 0.548 nan 8.150 nan 0.000 0.447 97 Q N -0.551 119.261 119.800 0.021 0.000 2.096 97 Q HA -0.220 4.121 4.340 0.000 0.000 0.208 97 Q C 2.169 178.179 176.000 0.016 0.000 0.993 97 Q CA 2.252 58.065 55.803 0.017 0.000 0.862 97 Q CB -0.390 28.357 28.738 0.015 0.000 0.915 97 Q HN 0.613 nan 8.270 nan 0.000 0.416 98 A N 0.457 123.287 122.820 0.016 0.000 1.873 98 A HA -0.135 4.185 4.320 0.000 0.000 0.215 98 A C 2.006 179.598 177.584 0.014 0.000 1.186 98 A CA 1.412 53.457 52.037 0.014 0.000 0.616 98 A CB -0.631 18.377 19.000 0.014 0.000 0.823 98 A HN 0.490 nan 8.150 nan 0.000 0.442 99 I N -0.385 120.195 120.570 0.016 0.000 2.179 99 I HA -0.262 3.908 4.170 0.000 0.000 0.242 99 I C 2.290 178.416 176.117 0.015 0.000 1.088 99 I CA 1.393 62.702 61.300 0.015 0.000 1.357 99 I CB -0.384 37.626 38.000 0.017 0.000 1.051 99 I HN 0.269 nan 8.210 nan 0.000 0.409 100 I N 0.273 120.853 120.570 0.016 0.000 2.208 100 I HA -0.294 3.876 4.170 0.000 0.000 0.245 100 I C 2.586 178.710 176.117 0.013 0.000 1.097 100 I CA 1.598 62.907 61.300 0.015 0.000 1.363 100 I CB -0.581 37.429 38.000 0.017 0.000 1.051 100 I HN 0.228 nan 8.210 nan 0.000 0.413 101 T N 0.169 114.731 114.554 0.012 0.000 2.652 101 T HA -0.178 4.173 4.350 0.000 0.000 0.267 101 T C 1.814 176.520 174.700 0.009 0.000 1.039 101 T CA 1.445 63.551 62.100 0.010 0.000 1.153 101 T CB -0.153 68.721 68.868 0.010 0.000 0.863 101 T HN 0.324 nan 8.240 nan 0.000 0.428 102 E N 0.391 120.597 120.200 0.009 0.000 2.170 102 E HA 0.060 4.411 4.350 0.000 0.000 0.191 102 E C 2.545 179.149 176.600 0.008 0.000 0.981 102 E CA 0.728 57.133 56.400 0.008 0.000 0.830 102 E CB -0.730 28.974 29.700 0.008 0.000 0.775 102 E HN 0.543 nan 8.360 nan 0.000 0.470 103 G N 2.054 110.860 108.800 0.009 0.000 2.491 103 G HA2 -0.260 3.700 3.960 0.000 0.000 0.218 103 G HA3 -0.260 3.700 3.960 0.000 0.000 0.218 103 G C 1.725 176.630 174.900 0.009 0.000 1.180 103 G CA 0.784 45.889 45.100 0.009 0.000 0.774 103 G HN 0.179 nan 8.290 nan 0.000 0.562 104 L N -0.166 121.062 121.223 0.009 0.000 2.131 104 L HA -0.044 4.296 4.340 0.000 0.000 0.210 104 L C 2.855 179.728 176.870 0.006 0.000 1.092 104 L CA 1.320 56.165 54.840 0.008 0.000 0.759 104 L CB -0.288 41.775 42.059 0.007 0.000 0.903 104 L HN 0.194 nan 8.230 nan 0.000 0.435 105 K N 0.074 120.478 120.400 0.006 0.000 2.057 105 K HA -0.137 4.183 4.320 0.000 0.000 0.207 105 K C 2.152 178.755 176.600 0.005 0.000 1.049 105 K CA 1.333 57.623 56.287 0.005 0.000 0.931 105 K CB -0.123 32.380 32.500 0.005 0.000 0.714 105 K HN 0.284 nan 8.250 nan 0.000 0.440 106 A N 0.113 122.936 122.820 0.005 0.000 1.968 106 A HA -0.067 4.254 4.320 0.000 0.000 0.217 106 A C 2.153 179.741 177.584 0.005 0.000 1.169 106 A CA 1.129 53.169 52.037 0.005 0.000 0.638 106 A CB -0.381 18.622 19.000 0.005 0.000 0.812 106 A HN 0.115 nan 8.150 nan 0.000 0.446 107 V N -0.037 119.880 119.914 0.006 0.000 2.295 107 V HA -0.255 3.865 4.120 0.000 0.000 0.246 107 V C 3.006 179.104 176.094 0.006 0.000 1.049 107 V CA 1.923 64.227 62.300 0.007 0.000 1.024 107 V CB -1.180 30.648 31.823 0.009 0.000 0.648 107 V HN 0.583 nan 8.190 nan 0.000 0.447 108 A N -0.304 122.518 122.820 0.005 0.000 2.125 108 A HA 0.026 4.346 4.320 0.000 0.000 0.219 108 A C 2.110 179.696 177.584 0.002 0.000 1.156 108 A CA 1.667 53.706 52.037 0.003 0.000 0.671 108 A CB -0.471 18.531 19.000 0.002 0.000 0.794 108 A HN 0.608 nan 8.150 nan 0.000 0.459 109 A N -2.105 120.716 122.820 0.003 0.000 2.275 109 A HA 0.451 4.771 4.320 0.000 0.000 0.212 109 A C 1.636 179.221 177.584 0.002 0.000 1.201 109 A CA 1.042 53.081 52.037 0.002 0.000 0.843 109 A CB -0.630 18.371 19.000 0.002 0.000 0.873 109 A HN 1.769 nan 8.150 nan 0.000 0.492 110 G N -1.345 107.457 108.800 0.003 0.000 2.159 110 G HA2 -0.230 3.731 3.960 0.000 0.000 0.227 110 G HA3 -0.230 3.731 3.960 0.000 0.000 0.227 110 G C 0.180 175.082 174.900 0.003 0.000 0.986 110 G CA 0.242 45.343 45.100 0.002 0.000 0.651 110 G HN 0.379 nan 8.290 nan 0.000 0.523 111 M N 0.642 120.244 119.600 0.004 0.000 2.241 111 M HA 0.264 4.744 4.480 0.000 0.000 0.335 111 M C 0.732 177.035 176.300 0.005 0.000 1.122 111 M CA -0.550 54.752 55.300 0.004 0.000 1.164 111 M CB 0.400 33.002 32.600 0.004 0.000 1.459 111 M HN 0.136 nan 8.290 nan 0.000 0.461 112 N N 2.712 121.415 118.700 0.005 0.000 2.416 112 N HA 0.100 4.840 4.740 0.000 0.000 0.265 112 N C -2.079 173.435 175.510 0.007 0.000 1.195 112 N CA -1.475 51.578 53.050 0.006 0.000 0.943 112 N CB 0.916 39.406 38.487 0.005 0.000 1.115 112 N HN 0.274 nan 8.380 nan 0.000 0.481 113 P HA -0.120 nan 4.420 nan 0.000 0.218 113 P C 1.520 178.826 177.300 0.010 0.000 1.148 113 P CA 1.124 64.230 63.100 0.010 0.000 0.822 113 P CB 0.246 31.954 31.700 0.013 0.000 0.784 114 M N -0.623 118.983 119.600 0.009 0.000 2.117 114 M HA -0.122 4.358 4.480 0.000 0.000 0.262 114 M C 1.579 177.883 176.300 0.006 0.000 1.065 114 M CA 1.573 56.878 55.300 0.008 0.000 1.114 114 M CB -1.796 30.808 32.600 0.008 0.000 1.361 114 M HN -0.068 nan 8.290 nan 0.000 0.408 115 D N -0.015 120.388 120.400 0.005 0.000 2.117 115 D HA -0.094 4.546 4.640 0.000 0.000 0.198 115 D C 2.105 178.408 176.300 0.004 0.000 0.982 115 D CA 0.858 54.861 54.000 0.004 0.000 0.828 115 D CB -0.078 40.724 40.800 0.004 0.000 0.967 115 D HN 0.123 nan 8.370 nan 0.000 0.464 116 L N 1.291 122.517 121.223 0.005 0.000 2.042 116 L HA -0.165 4.175 4.340 0.000 0.000 0.210 116 L C 2.269 179.143 176.870 0.005 0.000 1.076 116 L CA 1.556 56.399 54.840 0.006 0.000 0.749 116 L CB -0.912 41.151 42.059 0.007 0.000 0.893 116 L HN 0.028 nan 8.230 nan 0.000 0.432 117 K N -0.609 119.795 120.400 0.006 0.000 2.025 117 K HA -0.204 4.116 4.320 0.000 0.000 0.207 117 K C 2.331 178.933 176.600 0.003 0.000 1.049 117 K CA 1.221 57.511 56.287 0.005 0.000 0.933 117 K CB -0.008 32.496 32.500 0.007 0.000 0.714 117 K HN 0.046 nan 8.250 nan 0.000 0.438 118 R N -0.112 120.389 120.500 0.002 0.000 2.091 118 R HA -0.122 4.218 4.340 0.000 0.000 0.238 118 R C 2.275 178.575 176.300 0.000 0.000 1.136 118 R CA 1.869 57.969 56.100 0.001 0.000 0.959 118 R CB -0.620 29.680 30.300 0.001 0.000 0.856 118 R HN 0.428 nan 8.270 nan 0.000 0.437 119 G N 0.609 109.409 108.800 0.001 0.000 2.433 119 G HA2 -0.261 3.699 3.960 0.000 0.000 0.216 119 G HA3 -0.261 3.699 3.960 0.000 0.000 0.216 119 G C 1.418 176.319 174.900 0.001 0.000 1.186 119 G CA 1.068 46.169 45.100 0.001 0.000 0.779 119 G HN 0.280 nan 8.290 nan 0.000 0.543 120 I N 1.126 121.697 120.570 0.002 0.000 2.194 120 I HA -0.196 3.974 4.170 0.000 0.000 0.246 120 I C 2.306 178.422 176.117 -0.001 0.000 1.093 120 I CA 1.445 62.746 61.300 0.002 0.000 1.355 120 I CB -0.171 37.832 38.000 0.004 0.000 1.046 120 I HN 0.059 nan 8.210 nan 0.000 0.413 121 D N 0.479 120.877 120.400 -0.003 0.000 2.144 121 D HA -0.195 4.445 4.640 0.000 0.000 0.199 121 D C 2.101 178.396 176.300 -0.008 0.000 0.984 121 D CA 1.123 55.118 54.000 -0.008 0.000 0.834 121 D CB -0.170 40.625 40.800 -0.008 0.000 0.955 121 D HN 0.317 nan 8.370 nan 0.000 0.465 122 K N 0.600 120.997 120.400 -0.005 0.000 2.062 122 K HA -0.021 4.299 4.320 0.000 0.000 0.205 122 K C 2.031 178.628 176.600 -0.004 0.000 1.051 122 K CA 1.014 57.298 56.287 -0.005 0.000 0.941 122 K CB 0.003 32.501 32.500 -0.003 0.000 0.719 122 K HN -0.013 nan 8.250 nan 0.000 0.440 123 A N 0.810 123.628 122.820 -0.002 0.000 1.940 123 A HA -0.134 4.186 4.320 0.000 0.000 0.219 123 A C 2.203 179.785 177.584 -0.002 0.000 1.176 123 A CA 1.777 53.814 52.037 -0.000 0.000 0.631 123 A CB -0.652 18.350 19.000 0.002 0.000 0.814 123 A HN 0.189 nan 8.150 nan 0.000 0.446 124 V N -0.694 119.216 119.914 -0.006 0.000 2.379 124 V HA -0.197 3.923 4.120 0.000 0.000 0.245 124 V C 2.710 178.795 176.094 -0.014 0.000 1.044 124 V CA 2.358 64.652 62.300 -0.010 0.000 1.036 124 V CB -1.250 30.564 31.823 -0.016 0.000 0.664 124 V HN 0.592 nan 8.190 nan 0.000 0.453 125 T N 0.253 114.799 114.554 -0.015 0.000 2.665 125 T HA -0.197 4.153 4.350 0.000 0.000 0.268 125 T C 1.890 176.585 174.700 -0.009 0.000 1.035 125 T CA 1.923 64.014 62.100 -0.015 0.000 1.151 125 T CB -0.234 68.626 68.868 -0.013 0.000 0.862 125 T HN 0.295 nan 8.240 nan 0.000 0.438 126 V N 1.283 121.193 119.914 -0.006 0.000 2.407 126 V HA -0.033 4.087 4.120 0.000 0.000 0.245 126 V C 2.833 178.927 176.094 -0.000 0.000 1.041 126 V CA 1.349 63.648 62.300 -0.002 0.000 1.040 126 V CB -1.146 30.677 31.823 -0.000 0.000 0.671 126 V HN 0.504 nan 8.190 nan 0.000 0.455 127 A N 0.117 122.937 122.820 0.000 0.000 1.908 127 A HA -0.180 4.140 4.320 0.000 0.000 0.218 127 A C 2.408 179.993 177.584 0.002 0.000 1.181 127 A CA 2.177 54.216 52.037 0.003 0.000 0.627 127 A CB -0.750 18.252 19.000 0.005 0.000 0.818 127 A HN 0.324 nan 8.150 nan 0.000 0.445 128 V N 0.256 120.168 119.914 -0.004 0.000 2.287 128 V HA -0.321 3.799 4.120 0.000 0.000 0.248 128 V C 2.403 178.496 176.094 -0.002 0.000 1.053 128 V CA 2.421 64.717 62.300 -0.006 0.000 1.027 128 V CB -0.981 30.833 31.823 -0.015 0.000 0.646 128 V HN 0.681 nan 8.190 nan 0.000 0.447 129 E N -0.332 119.866 120.200 -0.002 0.000 2.097 129 E HA -0.249 4.101 4.350 0.000 0.000 0.196 129 E C 2.279 178.882 176.600 0.004 0.000 1.000 129 E CA 1.439 57.839 56.400 0.000 0.000 0.804 129 E CB -0.193 29.507 29.700 -0.000 0.000 0.740 129 E HN 0.607 nan 8.360 nan 0.000 0.454 130 E N 0.732 120.935 120.200 0.006 0.000 2.106 130 E HA -0.145 4.205 4.350 0.000 0.000 0.192 130 E C 2.333 178.940 176.600 0.012 0.000 0.984 130 E CA 0.584 56.990 56.400 0.009 0.000 0.806 130 E CB -0.193 29.513 29.700 0.011 0.000 0.750 130 E HN 0.332 nan 8.360 nan 0.000 0.458 131 L N 0.730 121.959 121.223 0.011 0.000 2.043 131 L HA -0.240 4.101 4.340 0.000 0.000 0.212 131 L C 2.656 179.533 176.870 0.012 0.000 1.075 131 L CA 1.427 56.275 54.840 0.013 0.000 0.752 131 L CB -0.359 41.707 42.059 0.011 0.000 0.891 131 L HN 0.079 nan 8.230 nan 0.000 0.432 132 K N -0.285 120.120 120.400 0.008 0.000 2.097 132 K HA -0.152 4.168 4.320 0.000 0.000 0.206 132 K C 2.053 178.658 176.600 0.009 0.000 1.049 132 K CA 1.321 57.613 56.287 0.008 0.000 0.933 132 K CB -0.072 32.431 32.500 0.005 0.000 0.717 132 K HN 0.309 nan 8.250 nan 0.000 0.442 133 A N 0.230 123.056 122.820 0.010 0.000 1.970 133 A HA -0.048 4.272 4.320 0.000 0.000 0.216 133 A C 1.872 179.464 177.584 0.014 0.000 1.170 133 A CA 0.759 52.803 52.037 0.011 0.000 0.645 133 A CB -0.302 18.704 19.000 0.010 0.000 0.816 133 A HN 0.307 nan 8.150 nan 0.000 0.447 134 L N -0.198 121.035 121.223 0.016 0.000 2.376 134 L HA 0.119 4.460 4.340 0.000 0.000 0.219 134 L C 1.325 178.207 176.870 0.020 0.000 1.133 134 L CA 0.748 55.600 54.840 0.020 0.000 0.816 134 L CB -0.366 41.707 42.059 0.024 0.000 0.933 134 L HN 0.260 nan 8.230 nan 0.000 0.449 135 S N -0.939 114.771 115.700 0.017 0.000 2.549 135 S HA 0.247 4.717 4.470 0.000 0.000 0.283 135 S C -0.183 174.426 174.600 0.015 0.000 1.320 135 S CA -0.574 57.635 58.200 0.016 0.000 1.058 135 S CB 0.473 63.680 63.200 0.013 0.000 0.882 135 S HN 0.022 nan 8.310 nan 0.000 0.498 136 V N 7.984 127.907 119.914 0.015 0.000 2.427 136 V HA 0.449 4.569 4.120 0.000 0.000 0.286 136 V C -1.841 174.260 176.094 0.012 0.000 1.034 136 V CA -1.809 60.499 62.300 0.014 0.000 0.893 136 V CB 1.460 33.292 31.823 0.015 0.000 0.982 136 V HN 0.803 nan 8.190 nan 0.000 0.452 137 P HA 0.108 nan 4.420 nan 0.000 0.272 137 P C -0.625 176.681 177.300 0.009 0.000 1.230 137 P CA -0.235 62.870 63.100 0.009 0.000 0.788 137 P CB 0.732 32.437 31.700 0.008 0.000 0.949 138 C N 2.554 121.860 119.300 0.009 0.000 2.814 138 C HA 0.473 4.933 4.460 0.000 0.000 0.269 138 C C 0.917 175.911 174.990 0.007 0.000 1.090 138 C CA 0.226 59.249 59.018 0.008 0.000 1.492 138 C CB -1.338 26.408 27.740 0.010 0.000 1.825 138 C HN 0.642 nan 8.230 nan 0.000 0.442 139 S N 1.321 117.025 115.700 0.006 0.000 2.817 139 S HA 0.246 4.716 4.470 0.000 0.000 0.262 139 S C -0.230 174.372 174.600 0.005 0.000 1.051 139 S CA -0.246 57.957 58.200 0.005 0.000 1.185 139 S CB -0.120 63.083 63.200 0.005 0.000 1.152 139 S HN 0.859 nan 8.310 nan 0.000 0.653 140 D N 0.501 120.904 120.400 0.005 0.000 2.414 140 D HA 0.428 5.068 4.640 0.000 0.000 0.241 140 D C 0.511 176.813 176.300 0.004 0.000 1.008 140 D CA -0.639 53.363 54.000 0.004 0.000 1.001 140 D CB 1.610 42.412 40.800 0.004 0.000 1.277 140 D HN -0.082 nan 8.370 nan 0.000 0.538 141 S N -0.292 115.411 115.700 0.004 0.000 2.370 141 S HA -0.174 4.296 4.470 0.000 0.000 0.226 141 S C 1.554 176.156 174.600 0.004 0.000 1.033 141 S CA 1.316 59.518 58.200 0.004 0.000 1.011 141 S CB -0.176 63.026 63.200 0.003 0.000 0.852 141 S HN 0.404 nan 8.310 nan 0.000 0.457 142 K N 2.210 122.612 120.400 0.004 0.000 2.009 142 K HA 0.059 4.380 4.320 0.000 0.000 0.210 142 K C 2.133 178.735 176.600 0.004 0.000 1.049 142 K CA 1.550 57.839 56.287 0.003 0.000 0.929 142 K CB -1.425 31.077 32.500 0.003 0.000 0.714 142 K HN 0.353 nan 8.250 nan 0.000 0.440 143 A N 0.945 123.768 122.820 0.005 0.000 1.972 143 A HA -0.062 4.258 4.320 0.000 0.000 0.219 143 A C 2.366 179.954 177.584 0.006 0.000 1.169 143 A CA 1.237 53.277 52.037 0.006 0.000 0.635 143 A CB -0.677 18.327 19.000 0.006 0.000 0.810 143 A HN 0.234 nan 8.150 nan 0.000 0.446 144 I N -0.330 120.244 120.570 0.006 0.000 2.179 144 I HA -0.275 3.895 4.170 0.000 0.000 0.242 144 I C 3.001 179.122 176.117 0.007 0.000 1.088 144 I CA 1.020 62.325 61.300 0.007 0.000 1.357 144 I CB -0.333 37.671 38.000 0.007 0.000 1.051 144 I HN 0.356 nan 8.210 nan 0.000 0.409 145 A N 0.017 122.840 122.820 0.005 0.000 1.892 145 A HA -0.316 4.004 4.320 0.000 0.000 0.218 145 A C 2.252 179.838 177.584 0.003 0.000 1.188 145 A CA 1.952 53.992 52.037 0.004 0.000 0.631 145 A CB -0.761 18.240 19.000 0.002 0.000 0.822 145 A HN 0.463 nan 8.150 nan 0.000 0.447 146 Q N -0.812 118.990 119.800 0.003 0.000 2.061 146 Q HA -0.130 4.210 4.340 0.000 0.000 0.204 146 Q C 2.170 178.172 176.000 0.003 0.000 0.984 146 Q CA 1.919 57.724 55.803 0.002 0.000 0.846 146 Q CB -0.286 28.453 28.738 0.003 0.000 0.902 146 Q HN 0.484 nan 8.270 nan 0.000 0.421 147 V N -0.125 119.792 119.914 0.005 0.000 2.358 147 V HA -0.198 3.922 4.120 0.000 0.000 0.246 147 V C 2.136 178.234 176.094 0.006 0.000 1.047 147 V CA 1.886 64.190 62.300 0.007 0.000 1.035 147 V CB -1.073 30.756 31.823 0.010 0.000 0.658 147 V HN 0.572 nan 8.190 nan 0.000 0.452 148 G N -0.159 108.645 108.800 0.007 0.000 2.418 148 G HA2 -0.322 3.638 3.960 0.000 0.000 0.217 148 G HA3 -0.322 3.638 3.960 0.000 0.000 0.217 148 G C 1.826 176.727 174.900 0.001 0.000 1.158 148 G CA 1.706 46.810 45.100 0.006 0.000 0.771 148 G HN 0.538 nan 8.290 nan 0.000 0.545 149 T N -0.550 114.004 114.554 -0.000 0.000 2.951 149 T HA 0.071 4.421 4.350 0.000 0.000 0.268 149 T C 2.408 177.105 174.700 -0.005 0.000 1.073 149 T CA 0.908 63.006 62.100 -0.003 0.000 1.134 149 T CB -0.208 68.658 68.868 -0.004 0.000 0.884 149 T HN 0.230 nan 8.240 nan 0.000 0.479 150 I N 1.818 122.386 120.570 -0.004 0.000 2.179 150 I HA -0.131 4.039 4.170 0.000 0.000 0.242 150 I C 2.734 178.847 176.117 -0.006 0.000 1.088 150 I CA 1.514 62.811 61.300 -0.006 0.000 1.357 150 I CB -0.279 37.719 38.000 -0.004 0.000 1.051 150 I HN 0.287 nan 8.210 nan 0.000 0.409 151 S N 0.681 116.380 115.700 -0.003 0.000 2.515 151 S HA 0.062 4.532 4.470 0.000 0.000 0.231 151 S C 1.520 176.114 174.600 -0.010 0.000 0.987 151 S CA 0.766 58.964 58.200 -0.004 0.000 0.936 151 S CB -0.159 63.042 63.200 0.002 0.000 0.766 151 S HN 0.471 nan 8.310 nan 0.000 0.528 152 A N 1.698 124.512 122.820 -0.010 0.000 2.684 152 A HA 0.366 4.686 4.320 0.000 0.000 0.288 152 A C 0.626 178.202 177.584 -0.014 0.000 1.337 152 A CA -0.529 51.499 52.037 -0.014 0.000 0.946 152 A CB -0.639 18.354 19.000 -0.013 0.000 1.093 152 A HN 0.429 nan 8.150 nan 0.000 0.543 153 N N 0.244 118.936 118.700 -0.014 0.000 2.756 153 N HA -0.196 4.544 4.740 0.000 0.000 0.248 153 N C 0.057 175.558 175.510 -0.014 0.000 1.062 153 N CA 0.823 53.864 53.050 -0.015 0.000 0.696 153 N CB -1.032 37.446 38.487 -0.016 0.000 0.946 153 N HN 0.502 nan 8.380 nan 0.000 0.548 154 S N -1.013 114.679 115.700 -0.013 0.000 3.490 154 S HA -0.215 4.256 4.470 0.000 0.000 0.301 154 S C -0.274 174.320 174.600 -0.010 0.000 1.233 154 S CA 1.146 59.339 58.200 -0.012 0.000 0.914 154 S CB -0.721 62.471 63.200 -0.014 0.000 1.047 154 S HN 0.715 nan 8.310 nan 0.000 0.602 155 D N 1.656 122.050 120.400 -0.010 0.000 2.468 155 D HA 0.347 4.987 4.640 0.000 0.000 0.218 155 D C 1.123 177.419 176.300 -0.007 0.000 1.155 155 D CA -0.400 53.595 54.000 -0.008 0.000 0.924 155 D CB 0.603 41.397 40.800 -0.009 0.000 1.029 155 D HN 0.607 nan 8.370 nan 0.000 0.515 156 E N 0.920 121.116 120.200 -0.006 0.000 2.267 156 E HA -0.196 4.155 4.350 0.000 0.000 0.197 156 E C 1.209 177.807 176.600 -0.004 0.000 0.998 156 E CA 1.249 57.647 56.400 -0.004 0.000 0.830 156 E CB -0.215 29.483 29.700 -0.004 0.000 0.751 156 E HN 0.286 nan 8.360 nan 0.000 0.491 157 T N 0.471 115.023 114.554 -0.004 0.000 2.737 157 T HA -0.112 4.239 4.350 0.000 0.000 0.265 157 T C 1.972 176.670 174.700 -0.004 0.000 1.038 157 T CA 1.392 63.490 62.100 -0.004 0.000 1.144 157 T CB -0.314 68.551 68.868 -0.005 0.000 0.866 157 T HN 0.070 nan 8.240 nan 0.000 0.434 158 V N 1.450 121.361 119.914 -0.005 0.000 2.343 158 V HA -0.088 4.033 4.120 0.000 0.000 0.247 158 V C 2.858 178.951 176.094 -0.002 0.000 1.051 158 V CA 1.914 64.212 62.300 -0.005 0.000 1.036 158 V CB -1.389 30.429 31.823 -0.008 0.000 0.654 158 V HN 0.603 nan 8.190 nan 0.000 0.451 159 G N -0.545 108.255 108.800 -0.001 0.000 2.459 159 G HA2 -0.305 3.655 3.960 0.000 0.000 0.217 159 G HA3 -0.305 3.655 3.960 0.000 0.000 0.217 159 G C 1.652 176.553 174.900 0.002 0.000 1.183 159 G CA 1.098 46.199 45.100 0.001 0.000 0.776 159 G HN 0.437 nan 8.290 nan 0.000 0.552 160 K N -0.341 120.059 120.400 0.000 0.000 2.059 160 K HA -0.080 4.240 4.320 0.000 0.000 0.212 160 K C 2.587 179.188 176.600 0.001 0.000 1.050 160 K CA 1.330 57.617 56.287 0.001 0.000 0.927 160 K CB -0.326 32.174 32.500 -0.000 0.000 0.714 160 K HN 0.297 nan 8.250 nan 0.000 0.447 161 L N 0.745 121.968 121.223 0.001 0.000 2.017 161 L HA -0.234 4.107 4.340 0.000 0.000 0.208 161 L C 2.318 179.190 176.870 0.004 0.000 1.073 161 L CA 0.832 55.673 54.840 0.001 0.000 0.745 161 L CB -0.436 41.623 42.059 0.000 0.000 0.894 161 L HN 0.237 nan 8.230 nan 0.000 0.432 162 I N 0.189 120.763 120.570 0.006 0.000 2.127 162 I HA -0.303 3.867 4.170 0.000 0.000 0.241 162 I C 2.862 178.983 176.117 0.008 0.000 1.075 162 I CA 1.751 63.057 61.300 0.010 0.000 1.334 162 I CB -1.549 36.459 38.000 0.012 0.000 1.040 162 I HN 0.221 nan 8.210 nan 0.000 0.405 163 A N 0.499 123.323 122.820 0.006 0.000 1.908 163 A HA -0.232 4.088 4.320 0.000 0.000 0.218 163 A C 2.298 179.885 177.584 0.004 0.000 1.181 163 A CA 1.790 53.830 52.037 0.005 0.000 0.627 163 A CB -0.714 18.288 19.000 0.004 0.000 0.818 163 A HN 0.478 nan 8.150 nan 0.000 0.445 164 E N -0.447 119.755 120.200 0.003 0.000 2.038 164 E HA -0.164 4.186 4.350 0.000 0.000 0.195 164 E C 2.380 178.982 176.600 0.003 0.000 1.000 164 E CA 1.101 57.503 56.400 0.003 0.000 0.803 164 E CB -0.315 29.386 29.700 0.002 0.000 0.750 164 E HN 0.614 nan 8.360 nan 0.000 0.448 165 A N 0.818 123.640 122.820 0.004 0.000 1.892 165 A HA -0.242 4.078 4.320 0.000 0.000 0.218 165 A C 2.140 179.727 177.584 0.004 0.000 1.188 165 A CA 1.738 53.777 52.037 0.005 0.000 0.631 165 A CB -0.508 18.497 19.000 0.007 0.000 0.822 165 A HN 0.209 nan 8.150 nan 0.000 0.447 166 M N -1.275 118.328 119.600 0.005 0.000 2.319 166 M HA -0.126 4.355 4.480 0.000 0.000 0.265 166 M C 1.748 178.050 176.300 0.003 0.000 1.068 166 M CA 1.783 57.086 55.300 0.005 0.000 1.118 166 M CB -0.187 32.417 32.600 0.006 0.000 1.395 166 M HN 0.585 nan 8.290 nan 0.000 0.435 167 D N 0.066 120.468 120.400 0.003 0.000 2.149 167 D HA -0.148 4.492 4.640 0.000 0.000 0.201 167 D C 1.833 178.134 176.300 0.001 0.000 0.972 167 D CA 1.168 55.169 54.000 0.002 0.000 0.835 167 D CB 0.219 41.020 40.800 0.002 0.000 0.966 167 D HN 0.033 nan 8.370 nan 0.000 0.476 168 K N -0.987 119.414 120.400 0.001 0.000 2.288 168 K HA 0.072 4.393 4.320 0.000 0.000 0.201 168 K C 0.936 177.537 176.600 0.001 0.000 1.048 168 K CA 0.541 56.828 56.287 0.001 0.000 0.956 168 K CB 0.347 32.847 32.500 0.001 0.000 0.746 168 K HN 0.056 nan 8.250 nan 0.000 0.461 169 V N -0.802 119.112 119.914 0.001 0.000 3.440 169 V HA 0.307 4.427 4.120 0.000 0.000 0.301 169 V C -0.479 175.616 176.094 0.000 0.000 1.555 169 V CA 0.375 62.675 62.300 0.001 0.000 1.095 169 V CB 0.599 32.423 31.823 0.001 0.000 0.936 169 V HN 0.451 nan 8.190 nan 0.000 0.452 170 G N 1.016 109.816 108.800 0.000 0.000 2.705 170 G HA2 -0.187 3.773 3.960 0.000 0.000 0.686 170 G HA3 -0.187 3.773 3.960 0.000 0.000 0.686 170 G C 0.141 175.041 174.900 0.000 0.000 1.285 170 G CA 0.098 45.198 45.100 0.000 0.000 0.800 170 G HN 0.297 nan 8.290 nan 0.000 0.611 171 K N 0.165 120.565 120.400 0.001 0.000 2.097 171 K HA -0.062 4.258 4.320 0.000 0.000 0.206 171 K C 1.856 178.456 176.600 -0.001 0.000 1.049 171 K CA 1.706 57.994 56.287 0.001 0.000 0.933 171 K CB 0.006 32.507 32.500 0.002 0.000 0.717 171 K HN 0.391 nan 8.250 nan 0.000 0.442 172 E N 0.235 120.433 120.200 -0.003 0.000 2.478 172 E HA 0.058 4.409 4.350 0.000 0.000 0.194 172 E C 0.776 177.372 176.600 -0.007 0.000 1.045 172 E CA 0.062 56.459 56.400 -0.006 0.000 0.868 172 E CB -0.033 29.665 29.700 -0.005 0.000 0.885 172 E HN 0.296 nan 8.360 nan 0.000 0.505 173 G N 0.457 109.255 108.800 -0.004 0.000 2.651 173 G HA2 0.216 4.176 3.960 0.000 0.000 0.260 173 G HA3 0.216 4.176 3.960 0.000 0.000 0.260 173 G C -0.372 174.525 174.900 -0.006 0.000 1.216 173 G CA -0.272 44.826 45.100 -0.004 0.000 0.913 173 G HN 0.121 nan 8.290 nan 0.000 0.535 174 V N 0.205 120.117 119.914 -0.005 0.000 2.407 174 V HA 0.693 4.813 4.120 0.000 0.000 0.278 174 V C -0.386 175.707 176.094 -0.003 0.000 1.037 174 V CA -0.718 61.577 62.300 -0.008 0.000 0.900 174 V CB 0.348 32.165 31.823 -0.011 0.000 0.983 174 V HN 0.451 nan 8.190 nan 0.000 0.459 175 I N 6.506 127.076 120.570 0.000 0.000 2.466 175 I HA 0.561 4.731 4.170 0.000 0.000 0.289 175 I C 0.170 176.296 176.117 0.015 0.000 1.026 175 I CA -0.346 60.959 61.300 0.008 0.000 1.078 175 I CB 2.413 40.422 38.000 0.015 0.000 1.249 175 I HN 0.787 nan 8.210 nan 0.000 0.429 176 T N 2.468 117.029 114.554 0.012 0.000 2.940 176 T HA 0.808 5.158 4.350 0.000 0.000 0.288 176 T C -0.518 174.190 174.700 0.013 0.000 1.045 176 T CA -0.862 61.247 62.100 0.016 0.000 1.018 176 T CB 2.220 71.091 68.868 0.006 0.000 1.151 176 T HN 0.193 nan 8.240 nan 0.000 0.529 177 V N 1.090 121.012 119.914 0.013 0.000 2.540 177 V HA 0.615 4.735 4.120 0.000 0.000 0.302 177 V C -0.377 175.718 176.094 0.000 0.000 1.035 177 V CA -0.760 61.544 62.300 0.005 0.000 0.873 177 V CB 1.427 33.251 31.823 0.001 0.000 0.992 177 V HN 1.010 nan 8.190 nan 0.000 0.428 178 E N 1.308 121.506 120.200 -0.003 0.000 2.423 178 E HA 0.440 4.790 4.350 0.000 0.000 0.269 178 E C -1.565 175.031 176.600 -0.006 0.000 0.948 178 E CA -1.111 55.286 56.400 -0.004 0.000 0.802 178 E CB 1.570 31.267 29.700 -0.005 0.000 1.339 178 E HN 0.611 nan 8.360 nan 0.000 0.445 179 D N 0.630 121.026 120.400 -0.006 0.000 2.399 179 D HA 0.216 4.856 4.640 0.000 0.000 0.241 179 D C 0.185 176.482 176.300 -0.006 0.000 1.133 179 D CA 0.326 54.323 54.000 -0.006 0.000 0.890 179 D CB 0.784 41.581 40.800 -0.005 0.000 1.201 179 D HN 0.480 nan 8.370 nan 0.000 0.432 180 G N -0.597 108.199 108.800 -0.005 0.000 2.588 180 G HA2 0.365 4.325 3.960 0.000 0.000 0.281 180 G HA3 0.365 4.325 3.960 0.000 0.000 0.281 180 G C 0.727 175.625 174.900 -0.005 0.000 1.236 180 G CA -0.179 44.918 45.100 -0.005 0.000 0.969 180 G HN 0.478 nan 8.290 nan 0.000 0.504 181 T N -3.586 110.966 114.554 -0.004 0.000 3.003 181 T HA 0.525 4.875 4.350 0.000 0.000 0.261 181 T C 0.940 175.638 174.700 -0.004 0.000 1.003 181 T CA 0.715 62.812 62.100 -0.004 0.000 0.917 181 T CB 0.627 69.493 68.868 -0.004 0.000 1.084 181 T HN 1.160 nan 8.240 nan 0.000 0.522 182 G N 0.986 109.784 108.800 -0.003 0.000 2.726 182 G HA2 0.457 4.417 3.960 0.000 0.000 0.198 182 G HA3 0.457 4.417 3.960 0.000 0.000 0.198 182 G C -0.185 174.713 174.900 -0.003 0.000 1.195 182 G CA -0.117 44.981 45.100 -0.003 0.000 0.951 182 G HN 0.106 nan 8.290 nan 0.000 0.532 183 L N 0.040 121.261 121.223 -0.003 0.000 2.131 183 L HA 0.333 4.673 4.340 0.000 0.000 0.206 183 L C 1.082 177.950 176.870 -0.003 0.000 1.087 183 L CA 1.290 56.128 54.840 -0.003 0.000 0.767 183 L CB -0.514 41.543 42.059 -0.003 0.000 0.917 183 L HN 0.338 nan 8.230 nan 0.000 0.441 184 Q N 1.605 121.403 119.800 -0.003 0.000 2.352 184 Q HA 0.094 4.435 4.340 0.000 0.000 0.260 184 Q C -0.683 175.315 176.000 -0.003 0.000 0.976 184 Q CA -0.036 55.765 55.803 -0.003 0.000 0.881 184 Q CB 0.423 29.160 28.738 -0.003 0.000 1.235 184 Q HN 0.304 nan 8.270 nan 0.000 0.419 185 D N 2.053 122.451 120.400 -0.003 0.000 2.341 185 D HA 0.146 4.786 4.640 0.000 0.000 0.245 185 D C 0.048 176.347 176.300 -0.003 0.000 1.106 185 D CA 0.191 54.189 54.000 -0.003 0.000 0.905 185 D CB 1.030 41.828 40.800 -0.003 0.000 1.202 185 D HN 0.315 nan 8.370 nan 0.000 0.426 186 E N 0.577 120.776 120.200 -0.003 0.000 2.312 186 E HA 0.577 4.928 4.350 0.000 0.000 0.267 186 E C -0.926 175.673 176.600 -0.002 0.000 0.894 186 E CA -1.069 55.330 56.400 -0.003 0.000 0.773 186 E CB 2.685 32.383 29.700 -0.003 0.000 1.241 186 E HN 0.101 nan 8.360 nan 0.000 0.432 187 L N 2.202 123.424 121.223 -0.002 0.000 2.441 187 L HA 0.398 4.739 4.340 0.000 0.000 0.270 187 L C -1.950 174.919 176.870 -0.001 0.000 0.973 187 L CA -0.257 54.583 54.840 -0.001 0.000 0.842 187 L CB 1.366 43.425 42.059 -0.000 0.000 1.239 187 L HN 0.561 nan 8.230 nan 0.000 0.406 188 D N 3.671 124.070 120.400 -0.002 0.000 2.570 188 D HA 0.524 5.165 4.640 0.000 0.000 0.244 188 D C -1.164 175.135 176.300 -0.001 0.000 1.178 188 D CA -0.542 53.456 54.000 -0.002 0.000 0.881 188 D CB 2.075 42.874 40.800 -0.003 0.000 1.453 188 D HN 0.253 nan 8.370 nan 0.000 0.447 189 V N 0.332 120.245 119.914 -0.001 0.000 2.483 189 V HA 0.629 4.749 4.120 0.000 0.000 0.295 189 V C -0.149 175.944 176.094 -0.001 0.000 1.035 189 V CA -0.673 61.626 62.300 -0.001 0.000 0.896 189 V CB 1.631 33.454 31.823 -0.000 0.000 0.986 189 V HN 0.541 nan 8.190 nan 0.000 0.447 190 V N 2.796 122.710 119.914 -0.001 0.000 3.078 190 V HA 0.496 4.616 4.120 0.000 0.000 0.311 190 V C -0.562 175.532 176.094 0.001 0.000 1.138 190 V CA -0.798 61.501 62.300 -0.001 0.000 1.007 190 V CB 2.647 34.468 31.823 -0.003 0.000 1.045 190 V HN 0.882 nan 8.190 nan 0.000 0.432 191 E N 2.204 122.405 120.200 0.001 0.000 2.415 191 E HA 0.522 4.873 4.350 0.000 0.000 0.263 191 E C 0.279 176.883 176.600 0.007 0.000 0.995 191 E CA 0.686 57.088 56.400 0.004 0.000 0.915 191 E CB 1.013 30.716 29.700 0.004 0.000 0.951 191 E HN 1.000 nan 8.360 nan 0.000 0.449 192 G N 1.084 109.892 108.800 0.013 0.000 2.340 192 G HA2 0.503 4.463 3.960 0.000 0.000 0.299 192 G HA3 0.503 4.463 3.960 0.000 0.000 0.299 192 G C -1.321 173.597 174.900 0.030 0.000 1.291 192 G CA -0.704 44.408 45.100 0.019 0.000 0.841 192 G HN 0.407 nan 8.290 nan 0.000 0.500 193 M N -0.002 119.622 119.600 0.040 0.000 2.523 193 M HA 0.482 4.962 4.480 0.000 0.000 0.287 193 M C -2.095 174.240 176.300 0.060 0.000 1.160 193 M CA -0.563 54.777 55.300 0.067 0.000 0.902 193 M CB 2.427 35.095 32.600 0.114 0.000 1.752 193 M HN 0.766 nan 8.290 nan 0.000 0.504 194 Q N 3.672 123.506 119.800 0.056 0.000 2.337 194 Q HA 0.749 5.089 4.340 0.000 0.000 0.270 194 Q C -2.068 173.977 176.000 0.075 0.000 1.043 194 Q CA -0.662 55.132 55.803 -0.014 0.000 0.794 194 Q CB 1.936 30.642 28.738 -0.054 0.000 1.281 194 Q HN 0.562 nan 8.270 nan 0.000 0.446 195 F N -0.260 119.681 119.950 -0.016 0.000 2.603 195 F HA 0.551 5.078 4.527 0.000 0.000 0.317 195 F C -0.921 174.867 175.800 -0.019 0.000 1.066 195 F CA -1.221 56.770 58.000 -0.015 0.000 0.941 195 F CB 1.275 40.268 39.000 -0.011 0.000 1.291 195 F HN 0.383 nan 8.300 nan 0.000 0.472 196 D N 1.907 122.420 120.400 0.188 0.000 2.896 196 D HA 0.275 4.915 4.640 0.000 0.000 0.240 196 D C -0.611 175.740 176.300 0.084 0.000 1.193 196 D CA -0.106 53.931 54.000 0.062 0.000 0.983 196 D CB 0.060 40.893 40.800 0.055 0.000 1.074 196 D HN 0.209 nan 8.370 nan 0.000 0.496 197 R N 0.676 121.206 120.500 0.049 0.000 2.574 197 R HA 0.605 4.945 4.340 0.000 0.000 0.288 197 R C 0.254 176.510 176.300 -0.073 0.000 1.004 197 R CA -0.776 55.361 56.100 0.061 0.000 0.895 197 R CB 1.932 32.388 30.300 0.260 0.000 1.191 197 R HN 0.280 nan 8.270 nan 0.000 0.444 198 G N 1.131 109.862 108.800 -0.117 0.000 2.531 198 G HA2 0.398 4.358 3.960 0.000 0.000 0.313 198 G HA3 0.398 4.358 3.960 0.000 0.000 0.313 198 G C -0.551 174.264 174.900 -0.141 0.000 1.238 198 G CA -0.518 44.430 45.100 -0.254 0.000 0.994 198 G HN 0.463 nan 8.290 nan 0.000 0.493 199 Y N -1.298 119.031 120.300 0.048 0.000 2.652 199 Y HA 0.275 4.825 4.550 0.000 0.000 0.344 199 Y C 1.226 177.220 175.900 0.157 0.000 1.254 199 Y CA -0.882 57.285 58.100 0.113 0.000 1.480 199 Y CB 0.376 38.947 38.460 0.184 0.000 1.345 199 Y HN 0.194 nan 8.280 nan 0.000 0.617 200 L N 1.477 122.996 121.223 0.492 0.000 2.341 200 L HA 0.069 4.409 4.340 0.000 0.000 0.214 200 L C 0.720 177.819 176.870 0.383 0.000 1.115 200 L CA 0.978 56.046 54.840 0.379 0.000 0.820 200 L CB -0.085 42.160 42.059 0.309 0.000 0.944 200 L HN 0.848 nan 8.230 nan 0.000 0.452 201 S N -2.209 113.755 115.700 0.442 0.000 2.546 201 S HA 0.404 4.874 4.470 0.000 0.000 0.274 201 S C -2.343 172.121 174.600 -0.227 0.000 1.121 201 S CA -1.242 57.000 58.200 0.071 0.000 0.887 201 S CB 1.833 64.959 63.200 -0.122 0.000 1.094 201 S HN -0.254 nan 8.310 nan 0.000 0.474 202 P HA -0.039 nan 4.420 nan 0.000 0.226 202 P C 0.319 177.172 177.300 -0.744 0.000 1.146 202 P CA 1.027 63.661 63.100 -0.776 0.000 0.773 202 P CB -0.217 31.129 31.700 -0.590 0.000 0.772 203 Y N -2.653 117.370 120.300 -0.462 0.000 2.475 203 Y HA 0.036 4.586 4.550 0.000 0.000 0.289 203 Y C 1.807 177.481 175.900 -0.377 0.000 1.121 203 Y CA 0.452 58.302 58.100 -0.417 0.000 1.257 203 Y CB -1.199 37.004 38.460 -0.428 0.000 1.026 203 Y HN -0.087 nan 8.280 nan 0.000 0.555 204 F N -0.049 119.858 119.950 -0.072 0.000 2.546 204 F HA -0.037 4.490 4.527 0.000 0.000 0.298 204 F C 0.965 176.707 175.800 -0.096 0.000 1.120 204 F CA -0.162 57.804 58.000 -0.056 0.000 1.456 204 F CB -0.963 38.019 39.000 -0.029 0.000 1.088 204 F HN -0.143 nan 8.300 nan 0.000 0.572 205 I N 2.849 123.381 120.570 -0.064 0.000 2.818 205 I HA -0.177 3.994 4.170 0.000 0.000 0.285 205 I C 0.864 176.970 176.117 -0.018 0.000 1.160 205 I CA 0.227 61.478 61.300 -0.081 0.000 1.370 205 I CB -0.073 37.814 38.000 -0.187 0.000 1.440 205 I HN 0.210 nan 8.210 nan 0.000 0.555 206 N N 5.730 124.440 118.700 0.016 0.000 2.299 206 N HA -0.009 4.731 4.740 0.000 0.000 0.187 206 N C 0.034 175.542 175.510 -0.002 0.000 1.099 206 N CA 0.217 53.274 53.050 0.011 0.000 0.867 206 N CB 0.331 38.835 38.487 0.027 0.000 0.974 206 N HN 0.398 nan 8.380 nan 0.000 0.477 207 K N 1.131 121.530 120.400 -0.002 0.000 2.624 207 K HA 0.241 4.561 4.320 0.000 0.000 0.200 207 K C -2.090 174.503 176.600 -0.012 0.000 1.036 207 K CA -1.676 54.607 56.287 -0.006 0.000 1.029 207 K CB 2.064 34.566 32.500 0.003 0.000 1.317 207 K HN 0.013 nan 8.250 nan 0.000 0.555 208 P HA -0.177 nan 4.420 nan 0.000 0.221 208 P C 0.286 177.572 177.300 -0.023 0.000 1.145 208 P CA 1.267 64.347 63.100 -0.033 0.000 0.795 208 P CB 0.441 32.112 31.700 -0.049 0.000 0.775 209 E N -0.489 119.700 120.200 -0.019 0.000 2.107 209 E HA -0.069 4.281 4.350 0.000 0.000 0.191 209 E C 1.779 178.374 176.600 -0.007 0.000 0.982 209 E CA 1.380 57.771 56.400 -0.015 0.000 0.809 209 E CB -1.368 28.323 29.700 -0.016 0.000 0.756 209 E HN 0.211 nan 8.360 nan 0.000 0.459 210 T N -0.719 113.836 114.554 0.001 0.000 3.057 210 T HA 0.198 4.548 4.350 0.000 0.000 0.254 210 T C 1.265 175.985 174.700 0.032 0.000 1.094 210 T CA 0.489 62.597 62.100 0.014 0.000 1.088 210 T CB 0.117 68.996 68.868 0.019 0.000 0.934 210 T HN 0.400 nan 8.240 nan 0.000 0.497 211 G N 1.775 110.590 108.800 0.024 0.000 2.273 211 G HA2 -0.017 3.943 3.960 0.000 0.000 0.280 211 G HA3 -0.017 3.943 3.960 0.000 0.000 0.280 211 G C 0.071 175.025 174.900 0.090 0.000 1.047 211 G CA 0.065 45.188 45.100 0.038 0.000 0.869 211 G HN 0.888 nan 8.290 nan 0.000 0.502 212 A N -1.217 121.644 122.820 0.068 0.000 2.350 212 A HA 0.918 5.238 4.320 0.000 0.000 0.318 212 A C -0.053 177.576 177.584 0.076 0.000 1.132 212 A CA -0.345 51.752 52.037 0.100 0.000 0.811 212 A CB 2.041 21.084 19.000 0.071 0.000 1.313 212 A HN 1.204 nan 8.150 nan 0.000 0.454 213 V N 1.046 121.024 119.914 0.107 0.000 2.398 213 V HA 0.493 4.613 4.120 0.000 0.000 0.286 213 V C -0.103 176.022 176.094 0.051 0.000 1.026 213 V CA -0.305 62.044 62.300 0.082 0.000 0.868 213 V CB 1.074 32.968 31.823 0.119 0.000 0.982 213 V HN 0.918 nan 8.190 nan 0.000 0.443 214 E N 4.531 124.751 120.200 0.034 0.000 2.244 214 E HA 0.625 4.975 4.350 0.000 0.000 0.260 214 E C -1.651 174.956 176.600 0.011 0.000 0.884 214 E CA -0.509 55.901 56.400 0.017 0.000 0.777 214 E CB 1.653 31.361 29.700 0.014 0.000 1.197 214 E HN 0.619 nan 8.360 nan 0.000 0.416 215 L N 3.221 124.445 121.223 0.003 0.000 2.365 215 L HA 0.515 4.855 4.340 0.000 0.000 0.273 215 L C -0.222 176.640 176.870 -0.013 0.000 1.000 215 L CA -0.932 53.907 54.840 -0.002 0.000 0.819 215 L CB 1.864 43.921 42.059 -0.002 0.000 1.284 215 L HN 0.385 nan 8.230 nan 0.000 0.418 216 E N 1.379 121.569 120.200 -0.017 0.000 2.151 216 E HA 0.269 4.620 4.350 0.000 0.000 0.275 216 E C -0.228 176.342 176.600 -0.051 0.000 0.936 216 E CA -0.581 55.801 56.400 -0.029 0.000 0.777 216 E CB 1.747 31.434 29.700 -0.021 0.000 1.108 216 E HN 0.619 nan 8.360 nan 0.000 0.401 217 S N 1.659 117.315 115.700 -0.072 0.000 3.549 217 S HA -0.122 4.348 4.470 0.000 0.000 0.366 217 S C -2.129 172.360 174.600 -0.185 0.000 1.012 217 S CA 0.386 58.510 58.200 -0.127 0.000 1.141 217 S CB -1.292 61.831 63.200 -0.127 0.000 0.910 217 S HN 0.481 nan 8.310 nan 0.000 0.471 218 P HA 0.419 nan 4.420 nan 0.000 0.277 218 P C 0.059 177.274 177.300 -0.141 0.000 1.240 218 P CA -0.505 62.541 63.100 -0.091 0.000 0.798 218 P CB 0.435 32.123 31.700 -0.019 0.000 0.979 219 F N 1.051 121.001 119.950 0.000 0.000 2.389 219 F HA 0.353 4.880 4.527 0.000 0.000 0.337 219 F C 0.943 176.743 175.800 0.000 0.000 1.112 219 F CA 0.058 58.059 58.000 0.001 0.000 1.192 219 F CB 0.438 39.438 39.000 0.000 0.000 1.185 219 F HN 0.075 nan 8.300 nan 0.000 0.552 220 I N 4.162 124.865 120.570 0.222 0.000 2.410 220 I HA 0.231 4.401 4.170 0.000 0.000 0.286 220 I C -1.203 174.973 176.117 0.097 0.000 1.009 220 I CA -0.814 60.559 61.300 0.122 0.000 1.111 220 I CB 1.653 39.706 38.000 0.088 0.000 1.262 220 I HN 0.255 nan 8.210 nan 0.000 0.443 221 L N 8.380 129.641 121.223 0.063 0.000 2.265 221 L HA 0.507 4.847 4.340 0.000 0.000 0.288 221 L C -0.995 175.889 176.870 0.023 0.000 1.058 221 L CA -0.005 54.854 54.840 0.032 0.000 0.809 221 L CB 0.617 42.684 42.059 0.015 0.000 1.179 221 L HN 0.444 nan 8.230 nan 0.000 0.429 222 L N 6.369 127.601 121.223 0.015 0.000 2.276 222 L HA 0.771 5.111 4.340 0.000 0.000 0.286 222 L C -0.029 176.838 176.870 -0.005 0.000 1.024 222 L CA -0.288 54.553 54.840 0.001 0.000 0.826 222 L CB 1.325 43.381 42.059 -0.005 0.000 1.211 222 L HN 0.794 nan 8.230 nan 0.000 0.422 223 A N 1.873 124.690 122.820 -0.006 0.000 2.375 223 A HA 0.403 4.723 4.320 0.000 0.000 0.291 223 A C -0.825 176.755 177.584 -0.006 0.000 1.160 223 A CA -0.547 51.488 52.037 -0.005 0.000 0.747 223 A CB 0.849 19.849 19.000 0.001 0.000 1.170 223 A HN 0.669 nan 8.150 nan 0.000 0.458 224 D N 2.662 123.057 120.400 -0.010 0.000 2.470 224 D HA 0.445 5.085 4.640 0.000 0.000 0.226 224 D C -0.031 176.268 176.300 -0.001 0.000 1.196 224 D CA 0.516 54.510 54.000 -0.009 0.000 0.979 224 D CB -0.444 40.347 40.800 -0.015 0.000 1.059 224 D HN 0.673 nan 8.370 nan 0.000 0.515 225 K N 0.140 120.543 120.400 0.005 0.000 3.076 225 K HA 0.165 4.485 4.320 0.000 0.000 0.314 225 K C -1.548 175.062 176.600 0.016 0.000 1.113 225 K CA -1.061 55.233 56.287 0.011 0.000 0.860 225 K CB 0.331 32.836 32.500 0.008 0.000 1.435 225 K HN -0.090 nan 8.250 nan 0.000 0.374 226 K N 1.497 121.909 120.400 0.020 0.000 2.276 226 K HA 0.362 4.682 4.320 0.000 0.000 0.283 226 K C -0.460 176.155 176.600 0.024 0.000 1.044 226 K CA -0.419 55.883 56.287 0.025 0.000 0.944 226 K CB 0.664 33.180 32.500 0.026 0.000 1.012 226 K HN 0.404 nan 8.250 nan 0.000 0.472 227 I N 3.060 123.648 120.570 0.029 0.000 2.310 227 I HA 0.013 4.184 4.170 0.000 0.000 0.287 227 I C 0.672 176.809 176.117 0.034 0.000 1.073 227 I CA 0.042 61.360 61.300 0.029 0.000 1.216 227 I CB 1.195 39.213 38.000 0.031 0.000 1.415 227 I HN 0.675 nan 8.210 nan 0.000 0.480 228 S N 3.626 119.343 115.700 0.028 0.000 2.412 228 S HA 0.138 4.608 4.470 0.000 0.000 0.223 228 S C 0.843 175.459 174.600 0.026 0.000 1.048 228 S CA 0.167 58.384 58.200 0.028 0.000 0.954 228 S CB 0.095 63.309 63.200 0.023 0.000 0.840 228 S HN 0.588 nan 8.310 nan 0.000 0.503 229 N N 1.549 120.262 118.700 0.021 0.000 2.524 229 N HA 0.255 4.995 4.740 0.000 0.000 0.283 229 N C 0.353 175.875 175.510 0.020 0.000 1.142 229 N CA -0.119 52.942 53.050 0.018 0.000 0.984 229 N CB 1.446 39.941 38.487 0.013 0.000 1.155 229 N HN 0.107 nan 8.380 nan 0.000 0.467 230 I N 1.894 122.476 120.570 0.019 0.000 3.226 230 I HA -0.043 4.127 4.170 0.000 0.000 0.277 230 I C 1.797 177.921 176.117 0.012 0.000 1.243 230 I CA 0.349 61.661 61.300 0.019 0.000 1.459 230 I CB 0.178 38.191 38.000 0.021 0.000 1.093 230 I HN 0.422 nan 8.210 nan 0.000 0.453 231 R N 1.059 121.565 120.500 0.010 0.000 2.119 231 R HA -0.233 4.107 4.340 0.000 0.000 0.246 231 R C 1.825 178.127 176.300 0.003 0.000 1.146 231 R CA 2.130 58.234 56.100 0.006 0.000 0.962 231 R CB -0.386 29.917 30.300 0.005 0.000 0.863 231 R HN 0.547 nan 8.270 nan 0.000 0.442 232 E N -0.075 120.128 120.200 0.005 0.000 2.204 232 E HA -0.134 4.216 4.350 0.000 0.000 0.194 232 E C 1.902 178.502 176.600 -0.001 0.000 0.989 232 E CA 0.733 57.134 56.400 0.002 0.000 0.824 232 E CB -0.015 29.688 29.700 0.004 0.000 0.756 232 E HN 0.247 nan 8.360 nan 0.000 0.477 233 M N 0.625 120.227 119.600 0.003 0.000 2.134 233 M HA -0.028 4.452 4.480 0.000 0.000 0.262 233 M C 2.438 178.735 176.300 -0.005 0.000 1.076 233 M CA 1.114 56.414 55.300 0.001 0.000 1.143 233 M CB -0.949 31.658 32.600 0.011 0.000 1.346 233 M HN 0.124 nan 8.290 nan 0.000 0.421 234 L N 0.493 121.715 121.223 -0.002 0.000 2.040 234 L HA -0.284 4.057 4.340 0.000 0.000 0.228 234 L C -0.358 176.504 176.870 -0.013 0.000 1.092 234 L CA 2.065 56.903 54.840 -0.005 0.000 0.805 234 L CB -2.892 39.165 42.059 -0.003 0.000 0.905 234 L HN 0.192 nan 8.230 nan 0.000 0.443 235 P HA -0.148 nan 4.420 nan 0.000 0.216 235 P C 1.845 179.122 177.300 -0.039 0.000 1.153 235 P CA 1.670 64.755 63.100 -0.025 0.000 0.858 235 P CB -0.047 31.639 31.700 -0.023 0.000 0.789 236 V N 0.217 120.106 119.914 -0.042 0.000 2.346 236 V HA -0.161 3.959 4.120 0.000 0.000 0.244 236 V C 2.855 178.912 176.094 -0.062 0.000 1.037 236 V CA 1.239 63.500 62.300 -0.064 0.000 1.029 236 V CB -1.352 30.436 31.823 -0.059 0.000 0.663 236 V HN -0.012 nan 8.190 nan 0.000 0.454 237 L N -0.079 121.124 121.223 -0.033 0.000 2.081 237 L HA -0.254 4.086 4.340 0.000 0.000 0.212 237 L C 2.628 179.487 176.870 -0.017 0.000 1.080 237 L CA 1.837 56.667 54.840 -0.017 0.000 0.754 237 L CB -0.466 41.593 42.059 -0.000 0.000 0.893 237 L HN 0.466 nan 8.230 nan 0.000 0.433 238 E N -0.354 119.832 120.200 -0.022 0.000 2.046 238 E HA -0.149 4.202 4.350 0.000 0.000 0.190 238 E C 2.281 178.862 176.600 -0.031 0.000 0.982 238 E CA 0.976 57.365 56.400 -0.019 0.000 0.800 238 E CB -0.161 29.530 29.700 -0.016 0.000 0.756 238 E HN 0.471 nan 8.360 nan 0.000 0.449 239 A N 0.873 123.660 122.820 -0.056 0.000 2.024 239 A HA -0.153 4.167 4.320 0.000 0.000 0.220 239 A C 2.396 179.914 177.584 -0.110 0.000 1.164 239 A CA 1.124 53.111 52.037 -0.085 0.000 0.643 239 A CB -0.472 18.459 19.000 -0.116 0.000 0.806 239 A HN 0.121 nan 8.150 nan 0.000 0.451 240 V N -0.631 119.220 119.914 -0.105 0.000 2.407 240 V HA -0.128 3.992 4.120 0.000 0.000 0.245 240 V C 2.998 179.113 176.094 0.035 0.000 1.041 240 V CA 1.585 63.845 62.300 -0.066 0.000 1.040 240 V CB -0.961 30.842 31.823 -0.033 0.000 0.671 240 V HN 0.589 nan 8.190 nan 0.000 0.455 241 A N -0.664 122.168 122.820 0.020 0.000 1.972 241 A HA -0.235 4.085 4.320 0.000 0.000 0.219 241 A C 2.295 179.899 177.584 0.034 0.000 1.169 241 A CA 1.805 53.861 52.037 0.033 0.000 0.635 241 A CB -0.431 18.582 19.000 0.020 0.000 0.810 241 A HN 0.465 nan 8.150 nan 0.000 0.446 242 K N -0.695 119.717 120.400 0.020 0.000 2.211 242 K HA 0.004 4.324 4.320 0.000 0.000 0.203 242 K C 1.882 178.510 176.600 0.046 0.000 1.050 242 K CA 0.922 57.222 56.287 0.022 0.000 0.945 242 K CB -0.155 32.347 32.500 0.004 0.000 0.732 242 K HN 0.454 nan 8.250 nan 0.000 0.451 243 A N -0.174 122.694 122.820 0.080 0.000 2.218 243 A HA 0.165 4.485 4.320 0.000 0.000 0.209 243 A C 1.348 179.007 177.584 0.124 0.000 1.168 243 A CA 0.916 53.037 52.037 0.139 0.000 0.804 243 A CB -0.105 19.073 19.000 0.297 0.000 0.834 243 A HN 0.408 nan 8.150 nan 0.000 0.482 244 G N -0.672 108.187 108.800 0.099 0.000 2.168 244 G HA2 -0.293 3.667 3.960 0.000 0.000 0.263 244 G HA3 -0.293 3.667 3.960 0.000 0.000 0.263 244 G C 0.268 175.213 174.900 0.076 0.000 0.977 244 G CA 0.905 46.047 45.100 0.072 0.000 0.659 244 G HN 0.597 nan 8.290 nan 0.000 0.533 245 K N 1.082 121.555 120.400 0.122 0.000 2.095 245 K HA 0.563 4.883 4.320 0.000 0.000 0.252 245 K C -1.842 174.831 176.600 0.122 0.000 0.977 245 K CA -1.764 54.579 56.287 0.094 0.000 0.900 245 K CB 1.628 34.151 32.500 0.039 0.000 1.060 245 K HN 0.092 nan 8.250 nan 0.000 0.449 246 P HA 0.191 nan 4.420 nan 0.000 0.279 246 P C -1.362 176.002 177.300 0.107 0.000 1.282 246 P CA -0.543 62.601 63.100 0.074 0.000 0.788 246 P CB 0.616 32.338 31.700 0.037 0.000 1.139 247 L N 0.161 121.430 121.223 0.076 0.000 2.464 247 L HA 0.521 4.861 4.340 0.000 0.000 0.266 247 L C -1.579 175.301 176.870 0.018 0.000 0.965 247 L CA -0.946 53.944 54.840 0.083 0.000 0.833 247 L CB 1.670 43.776 42.059 0.079 0.000 1.296 247 L HN 0.135 nan 8.230 nan 0.000 0.405 248 L N 5.890 127.129 121.223 0.027 0.000 2.275 248 L HA 0.603 4.943 4.340 0.000 0.000 0.288 248 L C -0.959 175.912 176.870 0.001 0.000 1.046 248 L CA -0.136 54.698 54.840 -0.009 0.000 0.805 248 L CB 1.018 43.088 42.059 0.018 0.000 1.193 248 L HN 0.470 nan 8.230 nan 0.000 0.426 249 I N 7.114 127.663 120.570 -0.036 0.000 2.304 249 I HA 0.284 4.454 4.170 0.000 0.000 0.291 249 I C -0.245 175.880 176.117 0.013 0.000 1.018 249 I CA -0.187 61.107 61.300 -0.011 0.000 1.260 249 I CB 0.975 38.960 38.000 -0.024 0.000 1.390 249 I HN 0.553 nan 8.210 nan 0.000 0.475 250 I N 6.039 126.628 120.570 0.032 0.000 2.359 250 I HA 0.591 4.761 4.170 0.000 0.000 0.284 250 I C 0.239 176.364 176.117 0.013 0.000 1.018 250 I CA -0.193 61.132 61.300 0.041 0.000 1.173 250 I CB 1.422 39.448 38.000 0.043 0.000 1.326 250 I HN 0.655 nan 8.210 nan 0.000 0.462 251 A N 4.446 127.277 122.820 0.019 0.000 2.486 251 A HA 0.459 4.780 4.320 0.000 0.000 0.289 251 A C 0.847 178.441 177.584 0.017 0.000 1.176 251 A CA -0.547 51.497 52.037 0.013 0.000 0.757 251 A CB 1.438 20.450 19.000 0.020 0.000 1.337 251 A HN 0.725 nan 8.150 nan 0.000 0.423 252 E N -0.555 119.654 120.200 0.016 0.000 2.085 252 E HA -0.175 4.175 4.350 0.000 0.000 0.194 252 E C -0.331 176.292 176.600 0.037 0.000 0.994 252 E CA 1.801 58.215 56.400 0.024 0.000 0.801 252 E CB 0.117 29.832 29.700 0.024 0.000 0.743 252 E HN 0.592 nan 8.360 nan 0.000 0.453 253 D N -1.993 118.430 120.400 0.040 0.000 2.648 253 D HA 0.225 4.865 4.640 0.000 0.000 0.244 253 D C -1.928 174.404 176.300 0.053 0.000 1.244 253 D CA -0.532 53.498 54.000 0.050 0.000 0.772 253 D CB 2.228 43.056 40.800 0.047 0.000 1.379 253 D HN -0.121 nan 8.370 nan 0.000 0.428 254 V N 2.334 122.289 119.914 0.069 0.000 2.409 254 V HA 0.446 4.566 4.120 0.000 0.000 0.290 254 V C -0.001 176.143 176.094 0.083 0.000 1.017 254 V CA -0.620 61.726 62.300 0.076 0.000 0.841 254 V CB 1.524 33.402 31.823 0.092 0.000 1.003 254 V HN 0.420 nan 8.190 nan 0.000 0.426 255 E N 2.285 122.525 120.200 0.066 0.000 2.232 255 E HA 0.572 4.922 4.350 0.000 0.000 0.264 255 E C 1.301 177.935 176.600 0.057 0.000 0.973 255 E CA 0.013 56.449 56.400 0.059 0.000 0.849 255 E CB 1.890 31.616 29.700 0.044 0.000 1.198 255 E HN 0.709 nan 8.360 nan 0.000 0.407 256 G N 1.734 110.564 108.800 0.049 0.000 3.697 256 G HA2 -0.472 3.488 3.960 0.000 0.000 0.307 256 G HA3 -0.472 3.488 3.960 0.000 0.000 0.307 256 G C 1.236 176.160 174.900 0.039 0.000 1.169 256 G CA 1.580 46.705 45.100 0.041 0.000 1.169 256 G HN 0.663 nan 8.290 nan 0.000 1.307 257 E N 1.017 121.237 120.200 0.034 0.000 2.000 257 E HA -0.100 4.250 4.350 0.000 0.000 0.199 257 E C 3.051 179.673 176.600 0.036 0.000 1.011 257 E CA 1.758 58.175 56.400 0.029 0.000 0.836 257 E CB -0.679 29.035 29.700 0.023 0.000 0.778 257 E HN 0.519 nan 8.360 nan 0.000 0.462 258 A N 1.031 123.877 122.820 0.043 0.000 2.015 258 A HA -0.144 4.176 4.320 0.000 0.000 0.219 258 A C 2.177 179.808 177.584 0.079 0.000 1.163 258 A CA 1.210 53.278 52.037 0.052 0.000 0.646 258 A CB -0.539 18.490 19.000 0.048 0.000 0.806 258 A HN 0.347 nan 8.150 nan 0.000 0.448 259 L N 0.029 121.306 121.223 0.090 0.000 1.976 259 L HA -0.089 4.251 4.340 0.000 0.000 0.209 259 L C 2.665 179.599 176.870 0.106 0.000 1.071 259 L CA 2.444 57.363 54.840 0.132 0.000 0.746 259 L CB -1.040 41.094 42.059 0.124 0.000 0.890 259 L HN 0.317 nan 8.230 nan 0.000 0.432 260 A N -1.688 121.166 122.820 0.057 0.000 1.978 260 A HA -0.221 4.099 4.320 0.000 0.000 0.220 260 A C 2.191 179.779 177.584 0.007 0.000 1.170 260 A CA 2.348 54.395 52.037 0.017 0.000 0.636 260 A CB -1.224 17.780 19.000 0.007 0.000 0.810 260 A HN 0.608 nan 8.150 nan 0.000 0.448 261 T N 0.473 115.046 114.554 0.031 0.000 2.770 261 T HA -0.046 4.305 4.350 0.000 0.000 0.263 261 T C 1.840 176.570 174.700 0.050 0.000 1.039 261 T CA 1.338 63.455 62.100 0.028 0.000 1.142 261 T CB -0.421 68.466 68.868 0.032 0.000 0.868 261 T HN 0.388 nan 8.240 nan 0.000 0.435 262 L N 0.941 122.226 121.223 0.103 0.000 1.990 262 L HA -0.135 4.205 4.340 0.000 0.000 0.213 262 L C 2.741 179.715 176.870 0.173 0.000 1.072 262 L CA 1.081 56.028 54.840 0.178 0.000 0.755 262 L CB -1.108 41.122 42.059 0.285 0.000 0.889 262 L HN 0.116 nan 8.230 nan 0.000 0.432 263 V N -0.229 119.729 119.914 0.073 0.000 2.278 263 V HA -0.305 3.815 4.120 0.000 0.000 0.251 263 V C 2.380 178.397 176.094 -0.129 0.000 1.062 263 V CA 2.047 64.257 62.300 -0.150 0.000 1.038 263 V CB -0.429 31.267 31.823 -0.212 0.000 0.646 263 V HN 0.260 nan 8.190 nan 0.000 0.447 264 V N -0.317 119.544 119.914 -0.089 0.000 2.719 264 V HA -0.149 3.971 4.120 0.000 0.000 0.252 264 V C 1.847 177.916 176.094 -0.042 0.000 1.065 264 V CA 1.899 64.144 62.300 -0.092 0.000 1.086 264 V CB -0.843 30.932 31.823 -0.080 0.000 0.700 264 V HN 0.608 nan 8.190 nan 0.000 0.467 265 N N -0.053 118.647 118.700 0.001 0.000 2.422 265 N HA -0.077 4.663 4.740 0.000 0.000 0.181 265 N C 1.855 177.388 175.510 0.039 0.000 1.080 265 N CA 1.101 54.163 53.050 0.020 0.000 0.893 265 N CB 0.271 38.777 38.487 0.031 0.000 0.973 265 N HN 0.639 nan 8.380 nan 0.000 0.456 266 T N -1.794 112.797 114.554 0.062 0.000 3.051 266 T HA 0.071 4.422 4.350 0.000 0.000 0.255 266 T C 1.786 176.506 174.700 0.032 0.000 1.085 266 T CA 0.043 62.191 62.100 0.079 0.000 1.109 266 T CB 0.060 69.032 68.868 0.174 0.000 0.921 266 T HN -0.074 nan 8.240 nan 0.000 0.488 267 M N 1.355 120.946 119.600 -0.014 0.000 2.108 267 M HA 0.146 4.626 4.480 0.000 0.000 0.261 267 M C 2.216 178.493 176.300 -0.038 0.000 1.066 267 M CA 1.553 56.819 55.300 -0.056 0.000 1.107 267 M CB -0.222 32.304 32.600 -0.123 0.000 1.356 267 M HN 0.091 nan 8.290 nan 0.000 0.406 268 R N -0.739 119.745 120.500 -0.027 0.000 2.313 268 R HA 0.206 4.547 4.340 0.000 0.000 0.199 268 R C 0.999 177.297 176.300 -0.004 0.000 0.958 268 R CA 0.608 56.697 56.100 -0.018 0.000 1.047 268 R CB -0.176 30.114 30.300 -0.017 0.000 0.955 268 R HN 0.638 nan 8.270 nan 0.000 0.481 269 G N 0.996 109.799 108.800 0.005 0.000 2.153 269 G HA2 -0.296 3.665 3.960 0.000 0.000 0.252 269 G HA3 -0.296 3.665 3.960 0.000 0.000 0.252 269 G C 0.744 175.655 174.900 0.019 0.000 0.994 269 G CA 0.338 45.446 45.100 0.015 0.000 0.698 269 G HN 0.338 nan 8.290 nan 0.000 0.521 270 I N -0.838 119.743 120.570 0.018 0.000 2.179 270 I HA -0.016 4.154 4.170 0.000 0.000 0.242 270 I C 0.979 177.113 176.117 0.029 0.000 1.088 270 I CA 1.631 62.943 61.300 0.020 0.000 1.357 270 I CB -0.089 37.920 38.000 0.015 0.000 1.051 270 I HN 0.131 nan 8.210 nan 0.000 0.409 271 V N -0.084 119.853 119.914 0.039 0.000 2.888 271 V HA 0.263 4.383 4.120 0.000 0.000 0.309 271 V C -0.743 175.387 176.094 0.060 0.000 1.114 271 V CA -1.159 61.169 62.300 0.047 0.000 0.940 271 V CB 1.877 33.728 31.823 0.047 0.000 1.021 271 V HN -0.017 nan 8.190 nan 0.000 0.426 272 K N 2.523 122.958 120.400 0.059 0.000 2.262 272 K HA 0.588 4.909 4.320 0.000 0.000 0.288 272 K C -0.682 175.955 176.600 0.061 0.000 1.090 272 K CA 0.125 56.452 56.287 0.067 0.000 0.918 272 K CB 0.811 33.343 32.500 0.053 0.000 1.139 272 K HN 0.536 nan 8.250 nan 0.000 0.462 273 V N 1.443 121.404 119.914 0.080 0.000 2.815 273 V HA 0.873 4.993 4.120 0.000 0.000 0.314 273 V C -0.429 175.568 176.094 -0.161 0.000 1.064 273 V CA -1.110 61.192 62.300 0.003 0.000 0.952 273 V CB 1.907 33.750 31.823 0.033 0.000 1.020 273 V HN 0.728 nan 8.190 nan 0.000 0.439 274 A N 2.002 124.584 122.820 -0.397 0.000 2.539 274 A HA 1.010 5.330 4.320 0.000 0.000 0.296 274 A C -0.793 176.395 177.584 -0.660 0.000 1.073 274 A CA -0.245 51.225 52.037 -0.945 0.000 0.700 274 A CB 1.985 20.701 19.000 -0.473 0.000 1.296 274 A HN 1.692 nan 8.150 nan 0.000 0.405 275 A N 0.434 122.789 122.820 -0.776 0.000 2.422 275 A HA 0.825 5.145 4.320 0.000 0.000 0.302 275 A C -0.508 177.039 177.584 -0.062 0.000 1.041 275 A CA -0.049 51.835 52.037 -0.256 0.000 0.708 275 A CB 1.299 20.227 19.000 -0.121 0.000 1.257 275 A HN 2.329 nan 8.150 nan 0.000 0.414 276 V N -0.620 119.309 119.914 0.025 0.000 2.962 276 V HA 0.633 4.753 4.120 0.000 0.000 0.313 276 V C -0.451 175.710 176.094 0.112 0.000 1.099 276 V CA -1.297 61.062 62.300 0.097 0.000 0.971 276 V CB 1.649 33.550 31.823 0.130 0.000 1.028 276 V HN 0.844 nan 8.190 nan 0.000 0.430 277 K N 2.181 122.652 120.400 0.119 0.000 2.436 277 K HA 0.544 4.865 4.320 0.000 0.000 0.275 277 K C 0.503 177.159 176.600 0.093 0.000 0.999 277 K CA 0.407 56.752 56.287 0.096 0.000 0.980 277 K CB 1.060 33.613 32.500 0.089 0.000 0.919 277 K HN 1.111 nan 8.250 nan 0.000 0.484 278 A N 4.621 127.450 122.820 0.016 0.000 2.483 278 A HA 0.206 4.526 4.320 0.000 0.000 0.238 278 A C -2.058 175.475 177.584 -0.086 0.000 1.070 278 A CA -1.006 50.977 52.037 -0.091 0.000 0.770 278 A CB -0.374 18.573 19.000 -0.088 0.000 1.008 278 A HN 0.434 nan 8.150 nan 0.000 0.497 279 P HA 0.481 nan 4.420 nan 0.000 0.277 279 P C 0.603 177.878 177.300 -0.042 0.000 1.240 279 P CA 1.260 64.301 63.100 -0.099 0.000 0.798 279 P CB 0.832 32.392 31.700 -0.233 0.000 0.979 280 G N 1.394 110.221 108.800 0.045 0.000 2.750 280 G HA2 -0.047 3.913 3.960 0.000 0.000 0.228 280 G HA3 -0.047 3.913 3.960 0.000 0.000 0.228 280 G C -0.847 174.142 174.900 0.148 0.000 1.367 280 G CA -0.043 45.105 45.100 0.079 0.000 0.871 280 G HN 0.715 nan 8.290 nan 0.000 0.560 281 F N -1.757 118.198 119.950 0.009 0.000 2.650 281 F HA 0.817 5.344 4.527 0.001 0.000 0.320 281 F C 1.181 176.987 175.800 0.011 0.000 1.091 281 F CA 0.230 58.236 58.000 0.009 0.000 0.962 281 F CB 1.062 40.072 39.000 0.016 0.000 1.363 281 F HN 2.388 nan 8.300 nan 0.000 0.482 282 G N 1.563 110.399 108.800 0.060 0.000 2.629 282 G HA2 -0.362 3.598 3.960 0.000 0.000 0.313 282 G HA3 -0.362 3.598 3.960 0.000 0.000 0.313 282 G C 0.445 175.280 174.900 -0.109 0.000 1.217 282 G CA 0.952 46.032 45.100 -0.033 0.000 0.994 282 G HN 0.814 nan 8.290 nan 0.000 0.549 283 D N 1.018 121.325 120.400 -0.154 0.000 2.110 283 D HA -0.031 4.610 4.640 0.000 0.000 0.202 283 D C 2.494 178.713 176.300 -0.134 0.000 0.975 283 D CA 1.531 55.464 54.000 -0.112 0.000 0.839 283 D CB -0.432 40.318 40.800 -0.084 0.000 0.996 283 D HN 0.719 nan 8.370 nan 0.000 0.464 284 R N 1.176 121.559 120.500 -0.194 0.000 2.261 284 R HA -0.102 4.239 4.340 0.000 0.000 0.236 284 R C 2.028 178.240 176.300 -0.147 0.000 1.141 284 R CA 1.134 57.131 56.100 -0.172 0.000 1.001 284 R CB -0.257 29.931 30.300 -0.186 0.000 0.866 284 R HN 0.091 nan 8.270 nan 0.000 0.468 285 R N 1.258 121.673 120.500 -0.142 0.000 2.066 285 R HA -0.023 4.318 4.340 0.000 0.000 0.224 285 R C 1.575 177.823 176.300 -0.088 0.000 1.122 285 R CA 1.359 57.399 56.100 -0.099 0.000 0.974 285 R CB -0.043 30.224 30.300 -0.055 0.000 0.871 285 R HN 0.244 nan 8.270 nan 0.000 0.435 286 K N 0.353 120.710 120.400 -0.072 0.000 2.032 286 K HA -0.127 4.194 4.320 0.000 0.000 0.209 286 K C 2.130 178.692 176.600 -0.064 0.000 1.048 286 K CA 1.754 58.006 56.287 -0.058 0.000 0.927 286 K CB -0.219 32.255 32.500 -0.044 0.000 0.712 286 K HN 0.233 nan 8.250 nan 0.000 0.441 287 A N 1.193 123.971 122.820 -0.070 0.000 1.883 287 A HA -0.192 4.128 4.320 0.000 0.000 0.217 287 A C 2.150 179.687 177.584 -0.078 0.000 1.186 287 A CA 1.707 53.703 52.037 -0.067 0.000 0.624 287 A CB -0.497 18.462 19.000 -0.068 0.000 0.822 287 A HN 0.208 nan 8.150 nan 0.000 0.444 288 M N -0.883 118.657 119.600 -0.099 0.000 2.213 288 M HA -0.072 4.408 4.480 0.000 0.000 0.263 288 M C 2.144 178.361 176.300 -0.139 0.000 1.062 288 M CA 1.119 56.345 55.300 -0.122 0.000 1.105 288 M CB -0.433 32.074 32.600 -0.154 0.000 1.385 288 M HN 0.398 nan 8.290 nan 0.000 0.417 289 L N -0.078 121.068 121.223 -0.129 0.000 2.079 289 L HA -0.260 4.080 4.340 0.000 0.000 0.210 289 L C 2.657 179.481 176.870 -0.077 0.000 1.081 289 L CA 1.277 56.048 54.840 -0.115 0.000 0.752 289 L CB -0.400 41.606 42.059 -0.088 0.000 0.896 289 L HN 0.311 nan 8.230 nan 0.000 0.433 290 Q N 0.054 119.817 119.800 -0.062 0.000 2.119 290 Q HA -0.198 4.142 4.340 0.000 0.000 0.201 290 Q C 1.664 177.640 176.000 -0.040 0.000 0.972 290 Q CA 1.663 57.440 55.803 -0.043 0.000 0.847 290 Q CB -0.141 28.574 28.738 -0.038 0.000 0.903 290 Q HN 0.411 nan 8.270 nan 0.000 0.433 291 D N -0.174 120.195 120.400 -0.051 0.000 2.092 291 D HA -0.168 4.472 4.640 0.000 0.000 0.193 291 D C 1.904 178.187 176.300 -0.030 0.000 0.994 291 D CA 1.550 55.525 54.000 -0.040 0.000 0.828 291 D CB -0.298 40.472 40.800 -0.049 0.000 0.963 291 D HN 0.358 nan 8.370 nan 0.000 0.450 292 I N 1.282 121.824 120.570 -0.046 0.000 2.208 292 I HA -0.274 3.896 4.170 0.000 0.000 0.245 292 I C 2.522 178.637 176.117 -0.004 0.000 1.097 292 I CA 1.071 62.358 61.300 -0.021 0.000 1.363 292 I CB -0.302 37.666 38.000 -0.053 0.000 1.051 292 I HN -0.077 nan 8.210 nan 0.000 0.413 293 A N 0.701 123.512 122.820 -0.015 0.000 1.873 293 A HA -0.254 4.066 4.320 0.000 0.000 0.218 293 A C 2.421 180.007 177.584 0.004 0.000 1.193 293 A CA 2.766 54.802 52.037 -0.002 0.000 0.629 293 A CB -1.305 17.689 19.000 -0.009 0.000 0.826 293 A HN 0.405 nan 8.150 nan 0.000 0.447 294 T N 0.356 114.908 114.554 -0.003 0.000 2.720 294 T HA -0.139 4.211 4.350 0.000 0.000 0.268 294 T C 1.815 176.518 174.700 0.005 0.000 1.037 294 T CA 1.289 63.389 62.100 0.000 0.000 1.144 294 T CB -0.384 68.481 68.868 -0.005 0.000 0.864 294 T HN 0.331 nan 8.240 nan 0.000 0.444 295 L N 1.366 122.593 121.223 0.007 0.000 2.079 295 L HA -0.122 4.219 4.340 0.000 0.000 0.210 295 L C 2.418 179.298 176.870 0.016 0.000 1.081 295 L CA 2.073 56.921 54.840 0.013 0.000 0.752 295 L CB -0.661 41.410 42.059 0.021 0.000 0.896 295 L HN 0.497 nan 8.230 nan 0.000 0.433 296 T N -4.908 109.659 114.554 0.021 0.000 3.044 296 T HA 0.252 4.602 4.350 0.000 0.000 0.260 296 T C 1.133 175.851 174.700 0.030 0.000 1.019 296 T CA 0.356 62.471 62.100 0.026 0.000 0.921 296 T CB 0.449 69.340 68.868 0.037 0.000 1.053 296 T HN 0.455 nan 8.240 nan 0.000 0.533 297 G N 0.633 109.448 108.800 0.025 0.000 2.272 297 G HA2 0.042 4.002 3.960 0.000 0.000 0.280 297 G HA3 0.042 4.002 3.960 0.000 0.000 0.280 297 G C 0.317 175.240 174.900 0.038 0.000 1.067 297 G CA -0.181 44.936 45.100 0.028 0.000 0.902 297 G HN 1.045 nan 8.290 nan 0.000 0.500 298 G N -1.457 107.363 108.800 0.034 0.000 2.509 298 G HA2 0.799 4.760 3.960 0.000 0.000 0.328 298 G HA3 0.799 4.760 3.960 0.000 0.000 0.328 298 G C -0.300 174.611 174.900 0.018 0.000 1.194 298 G CA 0.147 45.268 45.100 0.036 0.000 0.967 298 G HN 0.632 nan 8.290 nan 0.000 0.488 299 T N 0.048 114.610 114.554 0.013 0.000 2.829 299 T HA 0.453 4.803 4.350 0.000 0.000 0.280 299 T C 0.014 174.713 174.700 -0.002 0.000 0.999 299 T CA -0.362 61.740 62.100 0.003 0.000 0.983 299 T CB 1.804 70.672 68.868 0.001 0.000 0.968 299 T HN 0.356 nan 8.240 nan 0.000 0.446 300 V N 3.992 123.901 119.914 -0.008 0.000 2.508 300 V HA 0.274 4.394 4.120 0.000 0.000 0.281 300 V C 0.344 176.432 176.094 -0.010 0.000 1.041 300 V CA -0.453 61.840 62.300 -0.012 0.000 1.016 300 V CB 0.272 32.083 31.823 -0.019 0.000 0.984 300 V HN 0.774 nan 8.190 nan 0.000 0.478 301 I N 5.201 125.765 120.570 -0.009 0.000 2.276 301 I HA 0.249 4.419 4.170 0.000 0.000 0.290 301 I C 0.376 176.489 176.117 -0.008 0.000 1.109 301 I CA 0.167 61.462 61.300 -0.008 0.000 1.229 301 I CB 0.446 38.441 38.000 -0.008 0.000 1.452 301 I HN 0.699 nan 8.210 nan 0.000 0.497 302 S N 2.754 118.449 115.700 -0.008 0.000 2.451 302 S HA 0.362 4.832 4.470 0.000 0.000 0.301 302 S C 0.526 175.123 174.600 -0.005 0.000 1.116 302 S CA -0.899 57.297 58.200 -0.007 0.000 1.093 302 S CB 1.741 64.936 63.200 -0.009 0.000 1.017 302 S HN 0.587 nan 8.310 nan 0.000 0.482 303 E N 1.621 121.820 120.200 -0.002 0.000 2.418 303 E HA -0.111 4.240 4.350 0.000 0.000 0.197 303 E C 1.009 177.608 176.600 -0.001 0.000 1.026 303 E CA 0.713 57.113 56.400 -0.001 0.000 0.862 303 E CB -0.203 29.498 29.700 0.001 0.000 0.799 303 E HN 0.844 nan 8.360 nan 0.000 0.518 304 E N 1.018 121.217 120.200 -0.002 0.000 2.150 304 E HA -0.113 4.237 4.350 0.000 0.000 0.193 304 E C 1.570 178.168 176.600 -0.003 0.000 0.985 304 E CA 0.769 57.168 56.400 -0.002 0.000 0.814 304 E CB -0.116 29.582 29.700 -0.002 0.000 0.752 304 E HN 0.355 nan 8.360 nan 0.000 0.466 305 I N 0.377 120.944 120.570 -0.004 0.000 3.684 305 I HA 0.117 4.288 4.170 0.000 0.000 0.304 305 I C 1.124 177.239 176.117 -0.004 0.000 1.278 305 I CA 0.252 61.550 61.300 -0.004 0.000 1.272 305 I CB -0.069 37.928 38.000 -0.006 0.000 1.029 305 I HN 0.227 nan 8.210 nan 0.000 0.458 306 G N 1.639 110.437 108.800 -0.003 0.000 2.147 306 G HA2 -0.284 3.676 3.960 0.000 0.000 0.244 306 G HA3 -0.284 3.676 3.960 0.000 0.000 0.244 306 G C 0.211 175.109 174.900 -0.004 0.000 1.005 306 G CA -0.124 44.974 45.100 -0.003 0.000 0.713 306 G HN 0.342 nan 8.290 nan 0.000 0.515 307 M N 0.282 119.880 119.600 -0.004 0.000 2.249 307 M HA 0.573 5.053 4.480 0.000 0.000 0.351 307 M C 0.320 176.617 176.300 -0.005 0.000 1.180 307 M CA -0.030 55.267 55.300 -0.005 0.000 1.127 307 M CB 0.957 33.553 32.600 -0.007 0.000 1.546 307 M HN 0.250 nan 8.290 nan 0.000 0.461 308 E N 1.586 121.783 120.200 -0.006 0.000 2.221 308 E HA 0.346 4.696 4.350 0.000 0.000 0.268 308 E C 0.168 176.763 176.600 -0.008 0.000 0.933 308 E CA -0.712 55.685 56.400 -0.006 0.000 0.809 308 E CB 2.108 31.805 29.700 -0.005 0.000 1.190 308 E HN 0.654 nan 8.360 nan 0.000 0.406 309 L N 1.248 122.467 121.223 -0.007 0.000 2.291 309 L HA -0.148 4.192 4.340 0.000 0.000 0.214 309 L C 1.573 178.435 176.870 -0.014 0.000 1.120 309 L CA 1.104 55.938 54.840 -0.010 0.000 0.799 309 L CB -0.132 41.924 42.059 -0.006 0.000 0.925 309 L HN 0.595 nan 8.230 nan 0.000 0.446 310 E N 0.300 120.494 120.200 -0.011 0.000 2.072 310 E HA -0.141 4.209 4.350 0.000 0.000 0.191 310 E C 1.057 177.647 176.600 -0.017 0.000 0.985 310 E CA 0.956 57.348 56.400 -0.013 0.000 0.801 310 E CB 0.034 29.729 29.700 -0.009 0.000 0.750 310 E HN 0.217 nan 8.360 nan 0.000 0.452 311 K N 0.636 121.027 120.400 -0.015 0.000 3.226 311 K HA 0.348 4.669 4.320 0.000 0.000 0.268 311 K C -0.789 175.799 176.600 -0.021 0.000 1.217 311 K CA -0.161 56.116 56.287 -0.016 0.000 1.242 311 K CB 0.459 32.951 32.500 -0.012 0.000 1.389 311 K HN -0.010 nan 8.250 nan 0.000 0.406 312 A N 1.182 123.985 122.820 -0.027 0.000 2.335 312 A HA 0.362 4.682 4.320 0.000 0.000 0.304 312 A C 0.208 177.760 177.584 -0.052 0.000 1.118 312 A CA -0.687 51.328 52.037 -0.035 0.000 0.757 312 A CB 0.780 19.760 19.000 -0.033 0.000 1.188 312 A HN 0.292 nan 8.150 nan 0.000 0.460 313 T N -0.039 114.480 114.554 -0.058 0.000 2.888 313 T HA 0.523 4.873 4.350 0.000 0.000 0.283 313 T C 1.254 175.878 174.700 -0.127 0.000 1.013 313 T CA -0.584 61.468 62.100 -0.081 0.000 0.938 313 T CB 0.205 69.038 68.868 -0.059 0.000 1.298 313 T HN 0.326 nan 8.240 nan 0.000 0.580 314 L N -0.116 121.002 121.223 -0.176 0.000 2.131 314 L HA -0.022 4.319 4.340 0.000 0.000 0.210 314 L C 3.011 179.789 176.870 -0.152 0.000 1.092 314 L CA 1.575 56.233 54.840 -0.303 0.000 0.759 314 L CB -0.669 41.182 42.059 -0.346 0.000 0.903 314 L HN 0.855 nan 8.230 nan 0.000 0.435 315 E N 0.370 120.531 120.200 -0.065 0.000 2.130 315 E HA -0.268 4.083 4.350 0.000 0.000 0.196 315 E C 1.528 178.130 176.600 0.003 0.000 0.998 315 E CA 1.545 57.941 56.400 -0.007 0.000 0.806 315 E CB 0.119 29.814 29.700 -0.008 0.000 0.738 315 E HN 0.442 nan 8.360 nan 0.000 0.459 316 D N -0.260 120.127 120.400 -0.021 0.000 2.269 316 D HA -0.073 4.567 4.640 0.000 0.000 0.208 316 D C -0.055 176.252 176.300 0.013 0.000 0.963 316 D CA 0.419 54.414 54.000 -0.008 0.000 0.864 316 D CB 0.098 40.885 40.800 -0.022 0.000 0.936 316 D HN 0.122 nan 8.370 nan 0.000 0.505 317 L N 0.887 122.121 121.223 0.018 0.000 2.331 317 L HA 0.325 4.665 4.340 0.000 0.000 0.278 317 L C 1.297 178.271 176.870 0.174 0.000 1.106 317 L CA -0.331 54.560 54.840 0.085 0.000 0.824 317 L CB 1.049 43.138 42.059 0.051 0.000 1.142 317 L HN -0.184 nan 8.230 nan 0.000 0.443 318 G N 2.162 111.046 108.800 0.140 0.000 2.599 318 G HA2 0.441 4.401 3.960 0.000 0.000 0.264 318 G HA3 0.441 4.401 3.960 0.000 0.000 0.264 318 G C -0.750 174.231 174.900 0.136 0.000 1.200 318 G CA -0.216 44.953 45.100 0.116 0.000 0.896 318 G HN 0.579 nan 8.290 nan 0.000 0.536 319 Q N -1.353 118.477 119.800 0.049 0.000 2.456 319 Q HA 0.639 4.980 4.340 0.000 0.000 0.284 319 Q C -1.007 174.965 176.000 -0.046 0.000 1.061 319 Q CA -0.810 54.965 55.803 -0.048 0.000 0.799 319 Q CB 2.348 30.992 28.738 -0.156 0.000 1.445 319 Q HN 0.949 nan 8.270 nan 0.000 0.411 320 A N 1.460 124.237 122.820 -0.073 0.000 2.606 320 A HA 0.397 4.717 4.320 0.000 0.000 0.293 320 A C -0.579 176.966 177.584 -0.065 0.000 1.082 320 A CA -0.624 51.384 52.037 -0.048 0.000 0.685 320 A CB 1.496 20.485 19.000 -0.018 0.000 1.284 320 A HN 0.795 nan 8.150 nan 0.000 0.408 321 K N -0.355 120.016 120.400 -0.048 0.000 2.211 321 K HA 0.015 4.336 4.320 0.000 0.000 0.203 321 K C 0.485 177.061 176.600 -0.040 0.000 1.050 321 K CA 1.112 57.371 56.287 -0.048 0.000 0.945 321 K CB 0.129 32.608 32.500 -0.035 0.000 0.732 321 K HN 0.517 nan 8.250 nan 0.000 0.451 322 R N -0.116 120.365 120.500 -0.031 0.000 2.579 322 R HA 0.157 4.497 4.340 0.000 0.000 0.260 322 R C -1.882 174.406 176.300 -0.019 0.000 1.103 322 R CA -0.456 55.630 56.100 -0.023 0.000 0.942 322 R CB 1.990 32.279 30.300 -0.018 0.000 1.251 322 R HN -0.026 nan 8.270 nan 0.000 0.450 323 V N 0.324 120.228 119.914 -0.017 0.000 2.876 323 V HA 0.875 4.996 4.120 0.000 0.000 0.312 323 V C -1.354 174.728 176.094 -0.020 0.000 1.085 323 V CA -0.620 61.668 62.300 -0.020 0.000 0.945 323 V CB 2.300 34.114 31.823 -0.014 0.000 1.017 323 V HN 0.409 nan 8.190 nan 0.000 0.428 324 V N 5.918 125.812 119.914 -0.033 0.000 2.525 324 V HA 0.573 4.693 4.120 0.000 0.000 0.299 324 V C -0.277 175.794 176.094 -0.038 0.000 1.034 324 V CA -0.366 61.922 62.300 -0.021 0.000 0.863 324 V CB 1.534 33.347 31.823 -0.016 0.000 0.999 324 V HN 0.957 nan 8.190 nan 0.000 0.423 325 I N 1.336 121.910 120.570 0.008 0.000 2.474 325 I HA 0.696 4.866 4.170 0.000 0.000 0.294 325 I C -0.530 175.642 176.117 0.090 0.000 1.005 325 I CA -0.542 60.767 61.300 0.015 0.000 1.113 325 I CB 2.070 40.096 38.000 0.043 0.000 1.289 325 I HN 0.391 nan 8.210 nan 0.000 0.436 326 N N 3.530 122.215 118.700 -0.025 0.000 2.604 326 N HA 0.292 5.032 4.740 0.000 0.000 0.297 326 N C 0.798 176.057 175.510 -0.418 0.000 1.266 326 N CA -0.661 52.350 53.050 -0.065 0.000 0.961 326 N CB 1.574 39.991 38.487 -0.116 0.000 1.166 326 N HN 0.623 nan 8.380 nan 0.000 0.601 327 K N -0.162 119.994 120.400 -0.406 0.000 2.103 327 K HA -0.167 4.153 4.320 0.000 0.000 0.207 327 K C -0.596 175.714 176.600 -0.483 0.000 1.048 327 K CA 1.894 57.787 56.287 -0.656 0.000 0.930 327 K CB -0.006 32.363 32.500 -0.217 0.000 0.716 327 K HN 0.608 nan 8.250 nan 0.000 0.444 328 D N -1.229 119.002 120.400 -0.281 0.000 2.865 328 D HA 0.134 4.774 4.640 0.000 0.000 0.347 328 D C -0.739 175.469 176.300 -0.153 0.000 1.498 328 D CA -0.423 53.463 54.000 -0.190 0.000 0.787 328 D CB 0.927 41.654 40.800 -0.121 0.000 1.190 328 D HN -0.179 nan 8.370 nan 0.000 0.445 329 T N -0.586 113.855 114.554 -0.188 0.000 2.932 329 T HA 0.635 4.985 4.350 0.000 0.000 0.318 329 T C -1.401 173.132 174.700 -0.278 0.000 1.265 329 T CA -0.355 61.621 62.100 -0.206 0.000 1.036 329 T CB 2.065 70.838 68.868 -0.159 0.000 1.209 329 T HN -0.071 nan 8.240 nan 0.000 0.484 330 T N 1.973 116.238 114.554 -0.481 0.000 2.928 330 T HA 0.658 5.008 4.350 0.000 0.000 0.296 330 T C -0.805 173.558 174.700 -0.561 0.000 1.000 330 T CA -0.603 61.156 62.100 -0.567 0.000 0.989 330 T CB 1.587 69.907 68.868 -0.913 0.000 1.005 330 T HN 0.684 nan 8.240 nan 0.000 0.442 331 T N 2.808 117.188 114.554 -0.290 0.000 2.879 331 T HA 0.699 5.049 4.350 0.000 0.000 0.290 331 T C -0.796 173.850 174.700 -0.091 0.000 0.993 331 T CA -0.695 61.298 62.100 -0.178 0.000 0.975 331 T CB 0.310 69.110 68.868 -0.114 0.000 0.981 331 T HN 0.485 nan 8.240 nan 0.000 0.439 332 I N 5.514 126.061 120.570 -0.038 0.000 2.312 332 I HA 0.445 4.615 4.170 0.000 0.000 0.290 332 I C -0.475 175.645 176.117 0.005 0.000 1.008 332 I CA -0.878 60.426 61.300 0.007 0.000 1.226 332 I CB 1.258 39.297 38.000 0.066 0.000 1.371 332 I HN 0.601 nan 8.210 nan 0.000 0.468 333 I N 5.868 126.436 120.570 -0.004 0.000 2.389 333 I HA 0.305 4.476 4.170 0.000 0.000 0.288 333 I C -0.493 175.620 176.117 -0.008 0.000 0.999 333 I CA -0.473 60.823 61.300 -0.006 0.000 1.129 333 I CB 1.290 39.283 38.000 -0.010 0.000 1.288 333 I HN 0.501 nan 8.210 nan 0.000 0.444 334 D N 4.876 125.273 120.400 -0.005 0.000 3.437 334 D HA -0.114 4.526 4.640 0.000 0.000 0.243 334 D C 0.085 176.379 176.300 -0.010 0.000 1.104 334 D CA 0.857 54.852 54.000 -0.008 0.000 1.009 334 D CB -0.200 40.592 40.800 -0.014 0.000 0.937 334 D HN 0.842 nan 8.370 nan 0.000 0.417 335 G N 0.627 109.426 108.800 -0.002 0.000 2.390 335 G HA2 0.408 4.369 3.960 0.000 0.000 0.270 335 G HA3 0.408 4.369 3.960 0.000 0.000 0.270 335 G C 1.467 176.364 174.900 -0.004 0.000 1.211 335 G CA -0.376 44.724 45.100 -0.000 0.000 0.842 335 G HN 0.280 nan 8.290 nan 0.000 0.519 336 V N 2.819 122.728 119.914 -0.008 0.000 2.594 336 V HA -0.047 4.073 4.120 0.000 0.000 0.253 336 V C 2.288 178.384 176.094 0.002 0.000 1.069 336 V CA 1.144 63.439 62.300 -0.007 0.000 1.082 336 V CB -1.357 30.459 31.823 -0.011 0.000 0.680 336 V HN 0.853 nan 8.190 nan 0.000 0.469 337 G N 0.805 109.609 108.800 0.007 0.000 2.341 337 G HA2 -0.053 3.907 3.960 0.000 0.000 0.231 337 G HA3 -0.053 3.907 3.960 0.000 0.000 0.231 337 G C -0.061 174.842 174.900 0.005 0.000 1.206 337 G CA -0.077 45.028 45.100 0.009 0.000 0.865 337 G HN 0.543 nan 8.290 nan 0.000 0.515 338 E N 1.188 121.391 120.200 0.005 0.000 2.366 338 E HA 0.055 4.405 4.350 0.000 0.000 0.266 338 E C 1.019 177.620 176.600 0.002 0.000 1.051 338 E CA -0.430 55.972 56.400 0.003 0.000 0.884 338 E CB 1.092 30.794 29.700 0.004 0.000 1.006 338 E HN 0.615 nan 8.360 nan 0.000 0.417 339 E N 1.640 121.840 120.200 0.001 0.000 2.160 339 E HA -0.241 4.109 4.350 0.000 0.000 0.195 339 E C 1.771 178.371 176.600 -0.001 0.000 0.991 339 E CA 1.152 57.552 56.400 -0.000 0.000 0.810 339 E CB -0.078 29.622 29.700 -0.001 0.000 0.742 339 E HN 0.574 nan 8.360 nan 0.000 0.466 340 A N 1.856 124.676 122.820 -0.000 0.000 1.855 340 A HA -0.066 4.254 4.320 0.000 0.000 0.215 340 A C 2.492 180.076 177.584 -0.001 0.000 1.191 340 A CA 1.872 53.908 52.037 -0.001 0.000 0.613 340 A CB -0.663 18.337 19.000 -0.000 0.000 0.829 340 A HN 0.280 nan 8.150 nan 0.000 0.442 341 A N -0.228 122.592 122.820 -0.000 0.000 1.908 341 A HA -0.116 4.204 4.320 0.000 0.000 0.218 341 A C 2.134 179.717 177.584 -0.002 0.000 1.181 341 A CA 1.667 53.704 52.037 -0.001 0.000 0.627 341 A CB -0.654 18.347 19.000 0.001 0.000 0.818 341 A HN 0.487 nan 8.150 nan 0.000 0.445 342 I N -0.935 119.635 120.570 -0.001 0.000 2.226 342 I HA -0.255 3.915 4.170 0.000 0.000 0.245 342 I C 2.744 178.859 176.117 -0.004 0.000 1.100 342 I CA 1.278 62.577 61.300 -0.002 0.000 1.374 342 I CB -0.200 37.800 38.000 -0.000 0.000 1.057 342 I HN 0.252 nan 8.210 nan 0.000 0.413 343 Q N 0.599 120.397 119.800 -0.003 0.000 2.124 343 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 343 Q C 2.273 178.270 176.000 -0.005 0.000 0.977 343 Q CA 1.829 57.630 55.803 -0.004 0.000 0.850 343 Q CB -0.893 27.843 28.738 -0.003 0.000 0.901 343 Q HN 0.561 nan 8.270 nan 0.000 0.429 344 G N -0.140 108.657 108.800 -0.005 0.000 2.408 344 G HA2 -0.286 3.674 3.960 0.000 0.000 0.217 344 G HA3 -0.286 3.674 3.960 0.000 0.000 0.217 344 G C 1.641 176.536 174.900 -0.008 0.000 1.150 344 G CA 0.834 45.931 45.100 -0.006 0.000 0.776 344 G HN 0.316 nan 8.290 nan 0.000 0.542 345 R N -0.101 120.394 120.500 -0.009 0.000 2.092 345 R HA 0.020 4.360 4.340 0.000 0.000 0.231 345 R C 2.546 178.837 176.300 -0.013 0.000 1.119 345 R CA 1.195 57.287 56.100 -0.012 0.000 0.970 345 R CB -0.486 29.807 30.300 -0.012 0.000 0.864 345 R HN 0.222 nan 8.270 nan 0.000 0.440 346 V N 0.532 120.440 119.914 -0.011 0.000 2.270 346 V HA -0.178 3.942 4.120 0.000 0.000 0.245 346 V C 2.329 178.416 176.094 -0.012 0.000 1.043 346 V CA 1.910 64.202 62.300 -0.012 0.000 1.014 346 V CB -0.802 31.015 31.823 -0.009 0.000 0.645 346 V HN 0.551 nan 8.190 nan 0.000 0.447 347 A N -1.212 121.601 122.820 -0.010 0.000 1.940 347 A HA -0.313 4.007 4.320 0.000 0.000 0.219 347 A C 2.203 179.781 177.584 -0.011 0.000 1.176 347 A CA 2.127 54.158 52.037 -0.010 0.000 0.631 347 A CB -0.523 18.472 19.000 -0.008 0.000 0.814 347 A HN 0.613 nan 8.150 nan 0.000 0.446 348 Q N -0.645 119.147 119.800 -0.012 0.000 2.020 348 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 348 Q C 2.074 178.064 176.000 -0.017 0.000 0.982 348 Q CA 1.787 57.582 55.803 -0.014 0.000 0.838 348 Q CB -0.240 28.489 28.738 -0.015 0.000 0.899 348 Q HN 0.767 nan 8.270 nan 0.000 0.423 349 I N -0.226 120.332 120.570 -0.020 0.000 2.252 349 I HA -0.252 3.918 4.170 0.000 0.000 0.245 349 I C 2.429 178.533 176.117 -0.023 0.000 1.102 349 I CA 0.862 62.147 61.300 -0.024 0.000 1.385 349 I CB -0.230 37.753 38.000 -0.028 0.000 1.064 349 I HN 0.122 nan 8.210 nan 0.000 0.414 350 R N 0.373 120.861 120.500 -0.019 0.000 2.249 350 R HA -0.162 4.178 4.340 0.000 0.000 0.230 350 R C 2.241 178.532 176.300 -0.015 0.000 1.121 350 R CA 1.049 57.139 56.100 -0.017 0.000 0.997 350 R CB 0.046 30.337 30.300 -0.014 0.000 0.867 350 R HN 0.428 nan 8.270 nan 0.000 0.465 351 Q N -0.457 119.334 119.800 -0.015 0.000 2.250 351 Q HA -0.079 4.261 4.340 0.000 0.000 0.200 351 Q C 1.830 177.822 176.000 -0.014 0.000 0.941 351 Q CA 0.822 56.617 55.803 -0.013 0.000 0.872 351 Q CB 0.411 29.142 28.738 -0.011 0.000 0.965 351 Q HN 0.543 nan 8.270 nan 0.000 0.480 352 Q N 0.245 120.035 119.800 -0.017 0.000 2.167 352 Q HA -0.069 4.271 4.340 0.000 0.000 0.202 352 Q C 2.061 178.050 176.000 -0.019 0.000 0.970 352 Q CA 0.780 56.572 55.803 -0.018 0.000 0.855 352 Q CB -0.154 28.570 28.738 -0.023 0.000 0.911 352 Q HN 0.380 nan 8.270 nan 0.000 0.438 353 I N 1.472 122.029 120.570 -0.021 0.000 2.335 353 I HA -0.246 3.924 4.170 0.000 0.000 0.251 353 I C 1.971 178.079 176.117 -0.014 0.000 1.129 353 I CA 0.974 62.262 61.300 -0.021 0.000 1.402 353 I CB -0.228 37.758 38.000 -0.022 0.000 1.069 353 I HN 0.118 nan 8.210 nan 0.000 0.424 354 E N 1.013 121.206 120.200 -0.012 0.000 2.204 354 E HA -0.183 4.168 4.350 0.000 0.000 0.194 354 E C 1.394 177.990 176.600 -0.006 0.000 0.989 354 E CA 1.126 57.521 56.400 -0.008 0.000 0.824 354 E CB -0.144 29.552 29.700 -0.008 0.000 0.756 354 E HN 0.648 nan 8.360 nan 0.000 0.477 355 E N -0.400 119.796 120.200 -0.007 0.000 2.562 355 E HA 0.334 4.684 4.350 0.000 0.000 0.214 355 E C 0.029 176.628 176.600 -0.002 0.000 0.979 355 E CA 0.045 56.443 56.400 -0.004 0.000 1.002 355 E CB 0.858 30.555 29.700 -0.004 0.000 1.048 355 E HN 0.039 nan 8.360 nan 0.000 0.488 356 A N 1.670 124.487 122.820 -0.004 0.000 2.566 356 A HA 0.102 4.422 4.320 0.000 0.000 0.245 356 A C 1.102 178.690 177.584 0.007 0.000 1.056 356 A CA 0.488 52.525 52.037 0.000 0.000 0.757 356 A CB -0.132 18.864 19.000 -0.006 0.000 0.979 356 A HN 0.254 nan 8.150 nan 0.000 0.508 357 T N -0.478 114.084 114.554 0.013 0.000 3.176 357 T HA 0.421 4.771 4.350 0.000 0.000 0.263 357 T C 0.330 175.045 174.700 0.024 0.000 1.021 357 T CA 0.331 62.440 62.100 0.015 0.000 0.905 357 T CB -0.366 68.510 68.868 0.013 0.000 1.057 357 T HN 1.049 nan 8.240 nan 0.000 0.558 358 S N -0.378 115.342 115.700 0.034 0.000 2.540 358 S HA 0.345 4.815 4.470 0.000 0.000 0.275 358 S C 0.088 174.723 174.600 0.059 0.000 1.123 358 S CA -0.602 57.630 58.200 0.054 0.000 0.907 358 S CB 1.775 65.023 63.200 0.079 0.000 1.081 358 S HN 0.005 nan 8.310 nan 0.000 0.476 359 D N 1.788 122.227 120.400 0.066 0.000 2.106 359 D HA -0.157 4.483 4.640 0.000 0.000 0.191 359 D C 1.365 177.708 176.300 0.072 0.000 0.997 359 D CA 1.943 55.979 54.000 0.060 0.000 0.834 359 D CB -0.290 40.552 40.800 0.069 0.000 0.956 359 D HN 0.753 nan 8.370 nan 0.000 0.448 360 Y N 2.101 122.401 120.300 -0.001 0.000 2.128 360 Y HA -0.219 4.332 4.550 0.000 0.000 0.284 360 Y C 1.984 177.879 175.900 -0.009 0.000 1.154 360 Y CA 1.875 59.974 58.100 -0.002 0.000 1.149 360 Y CB -0.185 38.276 38.460 0.003 0.000 0.976 360 Y HN -0.081 nan 8.280 nan 0.000 0.505 361 D N -0.156 120.266 120.400 0.037 0.000 2.123 361 D HA -0.209 4.431 4.640 0.000 0.000 0.196 361 D C 2.261 178.496 176.300 -0.109 0.000 0.992 361 D CA 1.401 55.374 54.000 -0.045 0.000 0.833 361 D CB -0.337 40.478 40.800 0.026 0.000 0.954 361 D HN 0.395 nan 8.370 nan 0.000 0.455 362 R N 0.743 121.201 120.500 -0.069 0.000 2.082 362 R HA -0.144 4.196 4.340 0.000 0.000 0.234 362 R C 2.324 178.563 176.300 -0.102 0.000 1.136 362 R CA 1.464 57.525 56.100 -0.065 0.000 0.935 362 R CB -0.031 30.250 30.300 -0.032 0.000 0.842 362 R HN 0.288 nan 8.270 nan 0.000 0.430 363 E N 0.326 120.448 120.200 -0.130 0.000 2.097 363 E HA -0.228 4.123 4.350 0.000 0.000 0.196 363 E C 1.949 178.436 176.600 -0.188 0.000 1.000 363 E CA 0.934 57.248 56.400 -0.143 0.000 0.804 363 E CB -0.118 29.499 29.700 -0.138 0.000 0.740 363 E HN 0.108 nan 8.360 nan 0.000 0.454 364 K N 0.935 121.153 120.400 -0.303 0.000 2.147 364 K HA -0.037 4.283 4.320 0.000 0.000 0.205 364 K C 2.241 178.741 176.600 -0.167 0.000 1.049 364 K CA 0.710 56.823 56.287 -0.289 0.000 0.936 364 K CB -0.422 31.827 32.500 -0.419 0.000 0.722 364 K HN 0.174 nan 8.250 nan 0.000 0.446 365 L N 0.242 121.384 121.223 -0.137 0.000 2.023 365 L HA -0.140 4.200 4.340 0.000 0.000 0.205 365 L C 2.467 179.295 176.870 -0.069 0.000 1.073 365 L CA 1.116 55.903 54.840 -0.088 0.000 0.745 365 L CB -0.429 41.587 42.059 -0.070 0.000 0.900 365 L HN 0.145 nan 8.230 nan 0.000 0.435 366 Q N -0.005 119.754 119.800 -0.068 0.000 2.197 366 Q HA -0.270 4.071 4.340 0.000 0.000 0.207 366 Q C 2.098 178.070 176.000 -0.047 0.000 0.984 366 Q CA 1.752 57.525 55.803 -0.050 0.000 0.869 366 Q CB -0.049 28.661 28.738 -0.046 0.000 0.906 366 Q HN 0.496 nan 8.270 nan 0.000 0.426 367 E N -0.346 119.818 120.200 -0.060 0.000 2.107 367 E HA -0.123 4.227 4.350 0.000 0.000 0.191 367 E C 1.990 178.568 176.600 -0.036 0.000 0.982 367 E CA 0.530 56.902 56.400 -0.047 0.000 0.809 367 E CB 0.125 29.791 29.700 -0.057 0.000 0.756 367 E HN 0.232 nan 8.360 nan 0.000 0.459 368 R N 0.384 120.856 120.500 -0.047 0.000 2.073 368 R HA -0.092 4.248 4.340 0.000 0.000 0.229 368 R C 2.662 178.947 176.300 -0.026 0.000 1.120 368 R CA 1.402 57.479 56.100 -0.038 0.000 0.967 368 R CB -0.420 29.849 30.300 -0.051 0.000 0.862 368 R HN 0.185 nan 8.270 nan 0.000 0.436 369 V N -1.207 118.690 119.914 -0.028 0.000 2.295 369 V HA -0.140 3.980 4.120 0.000 0.000 0.246 369 V C 2.397 178.483 176.094 -0.013 0.000 1.049 369 V CA 1.778 64.066 62.300 -0.020 0.000 1.024 369 V CB -1.214 30.596 31.823 -0.021 0.000 0.648 369 V HN 0.227 nan 8.190 nan 0.000 0.447 370 A N 0.634 123.446 122.820 -0.014 0.000 1.917 370 A HA -0.261 4.059 4.320 0.000 0.000 0.219 370 A C 2.335 179.918 177.584 -0.001 0.000 1.182 370 A CA 2.569 54.601 52.037 -0.009 0.000 0.633 370 A CB -0.651 18.342 19.000 -0.011 0.000 0.819 370 A HN 0.649 nan 8.150 nan 0.000 0.448 371 K N -1.213 119.189 120.400 0.002 0.000 1.984 371 K HA -0.075 4.246 4.320 0.000 0.000 0.209 371 K C 1.947 178.556 176.600 0.015 0.000 1.046 371 K CA 1.311 57.608 56.287 0.016 0.000 0.934 371 K CB -0.383 32.134 32.500 0.029 0.000 0.717 371 K HN 0.307 nan 8.250 nan 0.000 0.438 372 L N 0.875 122.103 121.223 0.008 0.000 1.989 372 L HA -0.138 4.202 4.340 0.000 0.000 0.211 372 L C 2.040 178.912 176.870 0.004 0.000 1.071 372 L CA 1.977 56.821 54.840 0.006 0.000 0.749 372 L CB -0.926 41.132 42.059 -0.003 0.000 0.890 372 L HN 0.195 nan 8.230 nan 0.000 0.431 373 A N -1.709 121.110 122.820 -0.001 0.000 2.238 373 A HA 0.263 4.583 4.320 0.000 0.000 0.208 373 A C 2.095 179.679 177.584 -0.000 0.000 1.177 373 A CA 0.741 52.777 52.037 -0.002 0.000 0.804 373 A CB -0.810 18.188 19.000 -0.005 0.000 0.823 373 A HN 0.469 nan 8.150 nan 0.000 0.482 374 G N -0.810 107.991 108.800 0.002 0.000 2.539 374 G HA2 0.391 4.351 3.960 0.000 0.000 0.215 374 G HA3 0.391 4.351 3.960 0.000 0.000 0.215 374 G C 1.102 176.004 174.900 0.003 0.000 1.141 374 G CA 0.620 45.721 45.100 0.002 0.000 0.806 374 G HN 1.471 nan 8.290 nan 0.000 0.533 375 G N -1.152 107.651 108.800 0.005 0.000 2.641 375 G HA2 -0.059 3.902 3.960 0.000 0.000 0.254 375 G HA3 -0.059 3.902 3.960 0.000 0.000 0.254 375 G C -0.533 174.370 174.900 0.005 0.000 1.315 375 G CA -0.049 45.054 45.100 0.005 0.000 0.907 375 G HN 1.055 nan 8.290 nan 0.000 0.572 376 V N 0.118 120.034 119.914 0.003 0.000 2.686 376 V HA 0.712 4.832 4.120 0.000 0.000 0.306 376 V C 0.662 176.757 176.094 0.000 0.000 1.065 376 V CA -0.129 62.171 62.300 0.001 0.000 0.894 376 V CB 1.456 33.279 31.823 -0.000 0.000 1.004 376 V HN 2.074 nan 8.190 nan 0.000 0.424 377 A N 4.228 127.049 122.820 0.001 0.000 2.362 377 A HA 0.682 5.002 4.320 0.000 0.000 0.276 377 A C -0.355 177.230 177.584 0.002 0.000 1.153 377 A CA -0.256 51.782 52.037 0.001 0.000 0.813 377 A CB 0.599 19.601 19.000 0.003 0.000 1.081 377 A HN 0.789 nan 8.150 nan 0.000 0.507 378 V N 5.315 125.229 119.914 0.000 0.000 2.311 378 V HA 0.209 4.329 4.120 0.000 0.000 0.275 378 V C 0.012 176.106 176.094 0.000 0.000 1.022 378 V CA -0.118 62.182 62.300 -0.000 0.000 0.830 378 V CB 0.654 32.476 31.823 -0.003 0.000 1.012 378 V HN 0.721 nan 8.190 nan 0.000 0.452 379 I N 6.367 126.938 120.570 0.002 0.000 2.363 379 I HA 0.268 4.438 4.170 0.000 0.000 0.292 379 I C 0.395 176.511 176.117 -0.001 0.000 1.075 379 I CA -0.202 61.098 61.300 0.001 0.000 1.333 379 I CB 0.475 38.477 38.000 0.003 0.000 1.415 379 I HN 0.505 nan 8.210 nan 0.000 0.502 380 K N 6.815 127.213 120.400 -0.002 0.000 2.263 380 K HA 0.453 4.774 4.320 0.000 0.000 0.272 380 K C -0.745 175.852 176.600 -0.004 0.000 1.033 380 K CA -0.699 55.586 56.287 -0.004 0.000 0.884 380 K CB 1.997 34.494 32.500 -0.004 0.000 1.107 380 K HN 0.268 nan 8.250 nan 0.000 0.460 381 V N 2.466 122.377 119.914 -0.005 0.000 2.432 381 V HA 0.270 4.391 4.120 0.000 0.000 0.271 381 V C 0.827 176.918 176.094 -0.006 0.000 1.046 381 V CA -0.483 61.814 62.300 -0.006 0.000 0.945 381 V CB 1.078 32.896 31.823 -0.008 0.000 0.992 381 V HN 0.905 nan 8.190 nan 0.000 0.471 382 G N 2.994 111.790 108.800 -0.005 0.000 2.410 382 G HA2 0.832 4.792 3.960 0.000 0.000 0.330 382 G HA3 0.832 4.792 3.960 0.000 0.000 0.330 382 G C -0.467 174.430 174.900 -0.005 0.000 1.142 382 G CA 0.141 45.238 45.100 -0.005 0.000 0.902 382 G HN 1.163 nan 8.290 nan 0.000 0.491 383 A N -0.320 122.497 122.820 -0.005 0.000 2.524 383 A HA 0.824 5.144 4.320 0.000 0.000 0.303 383 A C 0.799 178.380 177.584 -0.004 0.000 1.195 383 A CA 0.439 52.474 52.037 -0.005 0.000 0.651 383 A CB 0.413 19.410 19.000 -0.005 0.000 1.323 383 A HN 1.735 nan 8.150 nan 0.000 0.479 384 A N -0.972 121.846 122.820 -0.004 0.000 1.943 384 A HA 0.480 4.800 4.320 0.000 0.000 0.213 384 A C 1.112 178.695 177.584 -0.003 0.000 1.181 384 A CA 2.116 54.151 52.037 -0.003 0.000 0.653 384 A CB -0.459 18.539 19.000 -0.003 0.000 0.833 384 A HN 1.787 nan 8.150 nan 0.000 0.451 385 T N -4.050 110.503 114.554 -0.003 0.000 2.887 385 T HA 0.466 4.816 4.350 0.000 0.000 0.292 385 T C 0.488 175.186 174.700 -0.002 0.000 1.087 385 T CA 0.032 62.130 62.100 -0.002 0.000 1.009 385 T CB 1.870 70.737 68.868 -0.002 0.000 1.203 385 T HN 0.208 nan 8.240 nan 0.000 0.518 386 E N -0.003 120.196 120.200 -0.002 0.000 2.085 386 E HA -0.166 4.185 4.350 0.000 0.000 0.194 386 E C 1.917 178.516 176.600 -0.002 0.000 0.994 386 E CA 1.665 58.064 56.400 -0.001 0.000 0.801 386 E CB -0.306 29.394 29.700 -0.000 0.000 0.743 386 E HN 0.539 nan 8.360 nan 0.000 0.453 387 V N 0.904 120.817 119.914 -0.001 0.000 2.287 387 V HA -0.266 3.854 4.120 0.000 0.000 0.248 387 V C 2.143 178.234 176.094 -0.004 0.000 1.053 387 V CA 2.310 64.609 62.300 -0.002 0.000 1.027 387 V CB -0.739 31.084 31.823 -0.001 0.000 0.646 387 V HN 0.255 nan 8.190 nan 0.000 0.447 388 E N -0.439 119.758 120.200 -0.004 0.000 2.072 388 E HA -0.191 4.160 4.350 0.000 0.000 0.191 388 E C 2.213 178.809 176.600 -0.007 0.000 0.985 388 E CA 1.303 57.700 56.400 -0.006 0.000 0.801 388 E CB -0.242 29.455 29.700 -0.005 0.000 0.750 388 E HN 0.437 nan 8.360 nan 0.000 0.452 389 M N 1.082 120.678 119.600 -0.006 0.000 2.065 389 M HA -0.206 4.275 4.480 0.000 0.000 0.259 389 M C 1.774 178.069 176.300 -0.009 0.000 1.069 389 M CA 1.650 56.946 55.300 -0.007 0.000 1.110 389 M CB -0.198 32.399 32.600 -0.005 0.000 1.328 389 M HN -0.103 nan 8.290 nan 0.000 0.405 390 K N 0.287 120.682 120.400 -0.008 0.000 2.147 390 K HA -0.143 4.177 4.320 0.000 0.000 0.205 390 K C 1.828 178.420 176.600 -0.013 0.000 1.049 390 K CA 1.326 57.607 56.287 -0.009 0.000 0.936 390 K CB -0.250 32.246 32.500 -0.007 0.000 0.722 390 K HN 0.570 nan 8.250 nan 0.000 0.446 391 E N 0.439 120.632 120.200 -0.012 0.000 2.072 391 E HA -0.125 4.225 4.350 0.000 0.000 0.190 391 E C 2.012 178.601 176.600 -0.017 0.000 0.982 391 E CA 0.852 57.243 56.400 -0.014 0.000 0.803 391 E CB 0.061 29.754 29.700 -0.012 0.000 0.755 391 E HN 0.149 nan 8.360 nan 0.000 0.453 392 K N 1.409 121.800 120.400 -0.015 0.000 2.097 392 K HA -0.195 4.126 4.320 0.000 0.000 0.206 392 K C 2.111 178.699 176.600 -0.020 0.000 1.049 392 K CA 1.202 57.479 56.287 -0.016 0.000 0.933 392 K CB 0.077 32.570 32.500 -0.012 0.000 0.717 392 K HN -0.115 nan 8.250 nan 0.000 0.442 393 K N -0.005 120.383 120.400 -0.019 0.000 2.032 393 K HA -0.163 4.157 4.320 0.000 0.000 0.209 393 K C 1.960 178.539 176.600 -0.035 0.000 1.048 393 K CA 1.423 57.696 56.287 -0.023 0.000 0.927 393 K CB -0.180 32.308 32.500 -0.019 0.000 0.712 393 K HN 0.213 nan 8.250 nan 0.000 0.441 394 A N 1.213 124.012 122.820 -0.036 0.000 1.902 394 A HA -0.146 4.174 4.320 0.000 0.000 0.217 394 A C 2.099 179.648 177.584 -0.058 0.000 1.181 394 A CA 1.320 53.327 52.037 -0.051 0.000 0.623 394 A CB -0.449 18.526 19.000 -0.041 0.000 0.818 394 A HN 0.301 nan 8.150 nan 0.000 0.443 395 R N -0.704 119.770 120.500 -0.042 0.000 2.081 395 R HA -0.098 4.242 4.340 0.000 0.000 0.235 395 R C 2.063 178.338 176.300 -0.042 0.000 1.131 395 R CA 1.559 57.636 56.100 -0.039 0.000 0.960 395 R CB -0.488 29.796 30.300 -0.026 0.000 0.856 395 R HN 0.401 nan 8.270 nan 0.000 0.436 396 V N 0.865 120.757 119.914 -0.037 0.000 2.343 396 V HA -0.237 3.883 4.120 0.000 0.000 0.247 396 V C 1.960 178.024 176.094 -0.050 0.000 1.051 396 V CA 1.820 64.102 62.300 -0.031 0.000 1.036 396 V CB -0.401 31.410 31.823 -0.020 0.000 0.654 396 V HN 0.351 nan 8.190 nan 0.000 0.451 397 E N -0.170 119.981 120.200 -0.082 0.000 2.077 397 E HA -0.231 4.119 4.350 0.000 0.000 0.193 397 E C 1.981 178.417 176.600 -0.274 0.000 0.989 397 E CA 1.550 57.855 56.400 -0.158 0.000 0.800 397 E CB -0.120 29.477 29.700 -0.172 0.000 0.746 397 E HN 0.599 nan 8.360 nan 0.000 0.452 398 D N 0.018 120.301 120.400 -0.195 0.000 2.084 398 D HA -0.134 4.506 4.640 0.000 0.000 0.194 398 D C 1.878 178.136 176.300 -0.070 0.000 0.990 398 D CA 1.416 55.318 54.000 -0.164 0.000 0.826 398 D CB -0.436 40.307 40.800 -0.094 0.000 0.971 398 D HN 0.183 nan 8.370 nan 0.000 0.453 399 A N 0.717 123.513 122.820 -0.041 0.000 1.940 399 A HA -0.169 4.152 4.320 0.000 0.000 0.219 399 A C 2.183 179.783 177.584 0.027 0.000 1.176 399 A CA 1.175 53.210 52.037 -0.004 0.000 0.631 399 A CB -0.781 18.215 19.000 -0.007 0.000 0.814 399 A HN 0.252 nan 8.150 nan 0.000 0.446 400 L N -0.458 120.786 121.223 0.034 0.000 2.012 400 L HA -0.206 4.134 4.340 0.000 0.000 0.210 400 L C 2.343 179.319 176.870 0.176 0.000 1.073 400 L CA 2.440 57.336 54.840 0.093 0.000 0.748 400 L CB -0.789 41.335 42.059 0.108 0.000 0.891 400 L HN 0.595 nan 8.230 nan 0.000 0.431 401 H N -1.241 117.826 119.070 -0.004 0.000 2.357 401 H HA -0.076 4.480 4.556 0.000 0.000 0.301 401 H C 2.124 177.453 175.328 0.000 0.000 1.082 401 H CA 0.673 56.719 56.048 -0.003 0.000 1.342 401 H CB 0.013 29.773 29.762 -0.004 0.000 1.389 401 H HN 0.552 nan 8.280 nan 0.000 0.511 402 A N 0.615 123.515 122.820 0.133 0.000 1.877 402 A HA -0.168 4.153 4.320 0.000 0.000 0.216 402 A C 2.436 180.051 177.584 0.052 0.000 1.186 402 A CA 2.090 54.169 52.037 0.071 0.000 0.620 402 A CB -0.812 18.214 19.000 0.043 0.000 0.822 402 A HN 0.316 nan 8.150 nan 0.000 0.443 403 T N -1.020 113.564 114.554 0.049 0.000 2.896 403 T HA -0.057 4.293 4.350 0.000 0.000 0.263 403 T C 2.141 176.858 174.700 0.028 0.000 1.050 403 T CA 1.020 63.140 62.100 0.032 0.000 1.140 403 T CB -0.220 68.665 68.868 0.028 0.000 0.877 403 T HN 0.277 nan 8.240 nan 0.000 0.457 404 R N 2.010 122.529 120.500 0.032 0.000 2.112 404 R HA -0.045 4.295 4.340 0.000 0.000 0.242 404 R C 2.498 178.802 176.300 0.007 0.000 1.137 404 R CA 2.121 58.228 56.100 0.012 0.000 0.944 404 R CB -1.261 29.034 30.300 -0.007 0.000 0.857 404 R HN 0.429 nan 8.270 nan 0.000 0.435 405 A N -0.083 122.745 122.820 0.014 0.000 1.933 405 A HA -0.036 4.284 4.320 0.000 0.000 0.218 405 A C 2.329 179.922 177.584 0.015 0.000 1.175 405 A CA 1.953 53.998 52.037 0.013 0.000 0.628 405 A CB -0.703 18.311 19.000 0.024 0.000 0.814 405 A HN 0.438 nan 8.150 nan 0.000 0.444 406 A N -0.095 122.736 122.820 0.018 0.000 1.969 406 A HA 0.045 4.365 4.320 0.000 0.000 0.218 406 A C 2.230 179.821 177.584 0.012 0.000 1.169 406 A CA 1.776 53.822 52.037 0.016 0.000 0.635 406 A CB -1.034 17.977 19.000 0.017 0.000 0.810 406 A HN 1.195 nan 8.150 nan 0.000 0.445 407 V N -2.351 117.569 119.914 0.010 0.000 2.970 407 V HA -0.097 4.023 4.120 0.000 0.000 0.260 407 V C 1.643 177.740 176.094 0.006 0.000 1.100 407 V CA 2.089 64.394 62.300 0.008 0.000 1.122 407 V CB -0.586 31.241 31.823 0.006 0.000 0.721 407 V HN 0.580 nan 8.190 nan 0.000 0.483 408 E N 0.575 120.778 120.200 0.006 0.000 2.051 408 E HA -0.043 4.307 4.350 0.000 0.000 0.189 408 E C 1.690 178.294 176.600 0.006 0.000 0.979 408 E CA 1.550 57.952 56.400 0.004 0.000 0.803 408 E CB 0.071 29.773 29.700 0.002 0.000 0.761 408 E HN 0.757 nan 8.360 nan 0.000 0.451 409 E N -1.049 119.156 120.200 0.008 0.000 2.702 409 E HA 0.210 4.560 4.350 0.000 0.000 0.225 409 E C 0.173 176.779 176.600 0.010 0.000 0.942 409 E CA 0.148 56.553 56.400 0.009 0.000 1.210 409 E CB 1.811 31.516 29.700 0.009 0.000 1.143 409 E HN 0.231 nan 8.360 nan 0.000 0.544 410 G N 0.837 109.644 108.800 0.011 0.000 2.587 410 G HA2 -0.203 3.757 3.960 0.000 0.000 0.212 410 G HA3 -0.203 3.757 3.960 0.000 0.000 0.212 410 G C -0.893 174.016 174.900 0.014 0.000 1.327 410 G CA -0.347 44.760 45.100 0.012 0.000 0.898 410 G HN 0.120 nan 8.290 nan 0.000 0.551 411 V N -0.320 119.603 119.914 0.014 0.000 3.078 411 V HA 0.873 4.993 4.120 0.000 0.000 0.311 411 V C 0.094 176.198 176.094 0.017 0.000 1.138 411 V CA 0.304 62.613 62.300 0.015 0.000 1.007 411 V CB 2.007 33.838 31.823 0.014 0.000 1.045 411 V HN 2.154 nan 8.190 nan 0.000 0.432 412 V N 1.201 121.126 119.914 0.018 0.000 3.216 412 V HA 0.919 5.039 4.120 0.000 0.000 0.302 412 V C -0.078 176.028 176.094 0.020 0.000 1.286 412 V CA -0.897 61.415 62.300 0.021 0.000 1.048 412 V CB 1.343 33.179 31.823 0.022 0.000 1.081 412 V HN 1.531 nan 8.190 nan 0.000 0.442 413 A N 1.140 123.975 122.820 0.024 0.000 2.561 413 A HA 0.575 4.896 4.320 0.000 0.000 0.251 413 A C 0.963 178.558 177.584 0.019 0.000 1.062 413 A CA 0.891 52.942 52.037 0.022 0.000 0.761 413 A CB -0.700 18.319 19.000 0.032 0.000 0.986 413 A HN 2.091 nan 8.150 nan 0.000 0.510 414 G N 1.146 109.953 108.800 0.011 0.000 2.494 414 G HA2 0.526 4.486 3.960 0.000 0.000 0.270 414 G HA3 0.526 4.486 3.960 0.000 0.000 0.270 414 G C 1.134 176.041 174.900 0.012 0.000 1.423 414 G CA -0.041 45.065 45.100 0.010 0.000 1.055 414 G HN 2.261 nan 8.290 nan 0.000 0.536 415 G N -2.013 106.793 108.800 0.010 0.000 2.305 415 G HA2 0.225 4.186 3.960 0.000 0.000 0.287 415 G HA3 0.225 4.186 3.960 0.000 0.000 0.287 415 G C 1.485 176.405 174.900 0.033 0.000 1.036 415 G CA 1.244 46.355 45.100 0.017 0.000 0.887 415 G HN 2.465 nan 8.290 nan 0.000 0.505 416 G N -3.041 105.777 108.800 0.030 0.000 2.234 416 G HA2 -0.264 3.696 3.960 0.000 0.000 0.260 416 G HA3 -0.264 3.696 3.960 0.000 0.000 0.260 416 G C 1.459 176.382 174.900 0.038 0.000 0.987 416 G CA 1.182 46.302 45.100 0.034 0.000 0.625 416 G HN 1.467 nan 8.290 nan 0.000 0.532 417 V N 1.251 121.190 119.914 0.040 0.000 2.295 417 V HA 0.007 4.127 4.120 0.000 0.000 0.246 417 V C 3.303 179.425 176.094 0.046 0.000 1.049 417 V CA 2.973 65.301 62.300 0.047 0.000 1.024 417 V CB -1.295 30.555 31.823 0.044 0.000 0.648 417 V HN 1.023 nan 8.190 nan 0.000 0.447 418 A N -0.023 122.819 122.820 0.038 0.000 1.884 418 A HA -0.252 4.068 4.320 0.000 0.000 0.219 418 A C 2.261 179.865 177.584 0.034 0.000 1.197 418 A CA 2.319 54.377 52.037 0.036 0.000 0.637 418 A CB -0.724 18.294 19.000 0.030 0.000 0.827 418 A HN 0.502 nan 8.150 nan 0.000 0.450 419 L N -1.194 120.048 121.223 0.032 0.000 2.046 419 L HA -0.128 4.213 4.340 0.000 0.000 0.208 419 L C 2.533 179.421 176.870 0.030 0.000 1.077 419 L CA 1.477 56.334 54.840 0.028 0.000 0.747 419 L CB -0.307 41.768 42.059 0.027 0.000 0.896 419 L HN 0.504 nan 8.230 nan 0.000 0.432 420 I N -0.543 120.048 120.570 0.036 0.000 2.617 420 I HA -0.241 3.929 4.170 0.000 0.000 0.256 420 I C 2.694 178.837 176.117 0.043 0.000 1.167 420 I CA 0.623 61.945 61.300 0.038 0.000 1.469 420 I CB 0.073 38.098 38.000 0.043 0.000 1.098 420 I HN 0.183 nan 8.210 nan 0.000 0.436 421 R N 0.581 121.110 120.500 0.048 0.000 2.062 421 R HA -0.141 4.199 4.340 0.000 0.000 0.229 421 R C 2.248 178.571 176.300 0.039 0.000 1.128 421 R CA 2.144 58.276 56.100 0.052 0.000 0.960 421 R CB -0.610 29.725 30.300 0.059 0.000 0.855 421 R HN 0.387 nan 8.270 nan 0.000 0.432 422 V N -1.054 118.879 119.914 0.032 0.000 2.427 422 V HA -0.005 4.115 4.120 0.000 0.000 0.248 422 V C 2.162 178.269 176.094 0.021 0.000 1.051 422 V CA 1.642 63.956 62.300 0.024 0.000 1.048 422 V CB -1.085 30.750 31.823 0.020 0.000 0.666 422 V HN 0.363 nan 8.190 nan 0.000 0.456 423 A N 1.926 124.759 122.820 0.022 0.000 1.883 423 A HA -0.204 4.116 4.320 0.000 0.000 0.217 423 A C 2.614 180.209 177.584 0.019 0.000 1.186 423 A CA 2.971 55.019 52.037 0.019 0.000 0.624 423 A CB -1.297 17.714 19.000 0.019 0.000 0.822 423 A HN 1.068 nan 8.150 nan 0.000 0.444 424 S N -0.109 115.605 115.700 0.024 0.000 2.442 424 S HA -0.145 4.325 4.470 0.000 0.000 0.236 424 S C 1.552 176.162 174.600 0.017 0.000 1.007 424 S CA 1.504 59.717 58.200 0.022 0.000 0.965 424 S CB -0.334 62.883 63.200 0.029 0.000 0.773 424 S HN 0.627 nan 8.310 nan 0.000 0.504 425 K N 0.701 121.111 120.400 0.017 0.000 2.432 425 K HA 0.288 4.608 4.320 0.000 0.000 0.196 425 K C 1.042 177.647 176.600 0.010 0.000 1.038 425 K CA 0.416 56.711 56.287 0.013 0.000 0.986 425 K CB -0.136 32.372 32.500 0.014 0.000 0.782 425 K HN 0.386 nan 8.250 nan 0.000 0.485 426 L N 0.173 121.402 121.223 0.010 0.000 2.741 426 L HA 0.216 4.556 4.340 0.000 0.000 0.237 426 L C 1.709 178.583 176.870 0.006 0.000 1.178 426 L CA -0.247 54.598 54.840 0.008 0.000 0.973 426 L CB 0.037 42.100 42.059 0.008 0.000 1.255 426 L HN 0.109 nan 8.230 nan 0.000 0.498 427 A N -0.026 122.798 122.820 0.006 0.000 2.019 427 A HA -0.186 4.134 4.320 0.000 0.000 0.219 427 A C 1.628 179.214 177.584 0.004 0.000 1.164 427 A CA 1.534 53.575 52.037 0.005 0.000 0.644 427 A CB -0.181 18.822 19.000 0.005 0.000 0.805 427 A HN 0.360 nan 8.150 nan 0.000 0.449 428 D N -0.932 119.470 120.400 0.003 0.000 2.340 428 D HA 0.100 4.740 4.640 0.000 0.000 0.220 428 D C 0.330 176.631 176.300 0.002 0.000 1.039 428 D CA -0.116 53.885 54.000 0.002 0.000 0.866 428 D CB -0.158 40.643 40.800 0.002 0.000 0.913 428 D HN 0.340 nan 8.370 nan 0.000 0.523 429 L N 2.057 123.281 121.223 0.003 0.000 2.499 429 L HA 0.026 4.366 4.340 0.000 0.000 0.273 429 L C 0.306 177.177 176.870 0.002 0.000 1.195 429 L CA 0.616 55.458 54.840 0.002 0.000 0.882 429 L CB 0.173 42.233 42.059 0.003 0.000 1.133 429 L HN -0.209 nan 8.230 nan 0.000 0.483 430 R N 3.190 123.690 120.500 0.001 0.000 2.912 430 R HA 0.745 5.085 4.340 0.000 0.000 0.262 430 R C -0.144 176.156 176.300 0.001 0.000 1.057 430 R CA -0.365 55.736 56.100 0.001 0.000 0.981 430 R CB 1.321 31.622 30.300 0.001 0.000 1.201 430 R HN 0.784 nan 8.270 nan 0.000 0.484 431 G N -0.461 108.340 108.800 0.001 0.000 3.119 431 G HA2 0.194 4.154 3.960 0.000 0.000 0.206 431 G HA3 0.194 4.154 3.960 0.000 0.000 0.206 431 G C 0.111 175.011 174.900 0.001 0.000 1.313 431 G CA -0.294 44.806 45.100 0.001 0.000 1.010 431 G HN 0.412 nan 8.290 nan 0.000 0.578 432 Q N -0.399 119.401 119.800 0.001 0.000 2.224 432 Q HA 0.059 4.399 4.340 0.000 0.000 0.203 432 Q C 0.413 176.413 176.000 0.001 0.000 0.970 432 Q CA 1.428 57.232 55.803 0.000 0.000 0.865 432 Q CB -0.046 28.692 28.738 0.000 0.000 0.922 432 Q HN 0.618 nan 8.270 nan 0.000 0.445 433 N N -2.107 116.593 118.700 0.001 0.000 3.449 433 N HA 0.020 4.760 4.740 0.000 0.000 0.312 433 N C -0.024 175.487 175.510 0.001 0.000 1.582 433 N CA -0.530 52.521 53.050 0.001 0.000 0.850 433 N CB 0.216 38.704 38.487 0.001 0.000 1.822 433 N HN -0.234 nan 8.380 nan 0.000 0.577 434 E N -0.556 119.645 120.200 0.001 0.000 2.107 434 E HA -0.025 4.325 4.350 0.000 0.000 0.191 434 E C 0.424 177.026 176.600 0.002 0.000 0.982 434 E CA 1.482 57.883 56.400 0.001 0.000 0.809 434 E CB -0.352 29.349 29.700 0.001 0.000 0.756 434 E HN 0.551 nan 8.360 nan 0.000 0.459 435 D N 0.125 120.526 120.400 0.002 0.000 2.178 435 D HA -0.128 4.513 4.640 0.000 0.000 0.202 435 D C 1.757 178.058 176.300 0.003 0.000 0.974 435 D CA 0.776 54.777 54.000 0.003 0.000 0.841 435 D CB -0.114 40.687 40.800 0.003 0.000 0.953 435 D HN 0.336 nan 8.370 nan 0.000 0.478 436 Q N 0.072 119.873 119.800 0.002 0.000 2.167 436 Q HA -0.070 4.270 4.340 0.000 0.000 0.202 436 Q C 1.743 177.744 176.000 0.002 0.000 0.970 436 Q CA 0.822 56.626 55.803 0.002 0.000 0.855 436 Q CB -0.041 28.698 28.738 0.002 0.000 0.911 436 Q HN 0.402 nan 8.270 nan 0.000 0.438 437 N N -0.295 118.406 118.700 0.002 0.000 2.120 437 N HA -0.158 4.583 4.740 0.000 0.000 0.188 437 N C 1.888 177.399 175.510 0.003 0.000 1.024 437 N CA 1.236 54.287 53.050 0.002 0.000 0.852 437 N CB -0.075 38.414 38.487 0.002 0.000 1.003 437 N HN 0.122 nan 8.380 nan 0.000 0.424 438 V N 0.358 120.274 119.914 0.003 0.000 2.515 438 V HA 0.019 4.139 4.120 0.000 0.000 0.250 438 V C 2.037 178.134 176.094 0.004 0.000 1.058 438 V CA 2.036 64.338 62.300 0.004 0.000 1.064 438 V CB -1.114 30.711 31.823 0.004 0.000 0.675 438 V HN 0.273 nan 8.190 nan 0.000 0.461 439 G N 0.764 109.566 108.800 0.004 0.000 2.529 439 G HA2 -0.320 3.641 3.960 0.000 0.000 0.219 439 G HA3 -0.320 3.641 3.960 0.000 0.000 0.219 439 G C 1.538 176.441 174.900 0.004 0.000 1.177 439 G CA 1.692 46.795 45.100 0.005 0.000 0.773 439 G HN 0.580 nan 8.290 nan 0.000 0.573 440 I N 0.520 121.092 120.570 0.004 0.000 2.118 440 I HA -0.204 3.966 4.170 0.000 0.000 0.241 440 I C 2.755 178.875 176.117 0.005 0.000 1.070 440 I CA 1.399 62.701 61.300 0.004 0.000 1.327 440 I CB -0.149 37.853 38.000 0.003 0.000 1.034 440 I HN 0.010 nan 8.210 nan 0.000 0.405 441 K N 0.458 120.861 120.400 0.005 0.000 2.152 441 K HA -0.099 4.221 4.320 0.000 0.000 0.206 441 K C 2.116 178.720 176.600 0.006 0.000 1.048 441 K CA 1.024 57.314 56.287 0.006 0.000 0.933 441 K CB -0.874 31.629 32.500 0.005 0.000 0.721 441 K HN 0.231 nan 8.250 nan 0.000 0.447 442 V N 1.536 121.454 119.914 0.006 0.000 2.295 442 V HA -0.254 3.866 4.120 0.000 0.000 0.246 442 V C 2.447 178.546 176.094 0.009 0.000 1.049 442 V CA 1.977 64.281 62.300 0.008 0.000 1.024 442 V CB -0.782 31.046 31.823 0.008 0.000 0.648 442 V HN 0.309 nan 8.190 nan 0.000 0.447 443 A N -0.248 122.577 122.820 0.008 0.000 1.883 443 A HA -0.187 4.133 4.320 0.000 0.000 0.217 443 A C 2.199 179.789 177.584 0.010 0.000 1.186 443 A CA 1.965 54.008 52.037 0.009 0.000 0.624 443 A CB -0.609 18.395 19.000 0.007 0.000 0.822 443 A HN 0.496 nan 8.150 nan 0.000 0.444 444 L N -1.249 119.979 121.223 0.009 0.000 2.046 444 L HA -0.179 4.161 4.340 0.000 0.000 0.208 444 L C 2.847 179.724 176.870 0.012 0.000 1.077 444 L CA 1.854 56.701 54.840 0.010 0.000 0.747 444 L CB -0.543 41.522 42.059 0.009 0.000 0.896 444 L HN 0.485 nan 8.230 nan 0.000 0.432 445 R N 0.363 120.870 120.500 0.010 0.000 2.115 445 R HA -0.082 4.258 4.340 0.000 0.000 0.226 445 R C 2.284 178.591 176.300 0.012 0.000 1.100 445 R CA 1.072 57.178 56.100 0.010 0.000 0.980 445 R CB -0.073 30.232 30.300 0.009 0.000 0.875 445 R HN 0.303 nan 8.270 nan 0.000 0.445 446 A N 0.825 123.652 122.820 0.012 0.000 2.015 446 A HA -0.118 4.202 4.320 0.000 0.000 0.219 446 A C 2.058 179.652 177.584 0.016 0.000 1.163 446 A CA 1.109 53.154 52.037 0.014 0.000 0.646 446 A CB -0.338 18.671 19.000 0.015 0.000 0.806 446 A HN 0.329 nan 8.150 nan 0.000 0.448 447 M N -0.355 119.254 119.600 0.016 0.000 2.446 447 M HA -0.133 4.347 4.480 0.000 0.000 0.263 447 M C 1.450 177.762 176.300 0.020 0.000 1.066 447 M CA 1.082 56.393 55.300 0.019 0.000 1.087 447 M CB -0.297 32.314 32.600 0.018 0.000 1.406 447 M HN 0.482 nan 8.290 nan 0.000 0.459 448 E N 0.317 120.528 120.200 0.018 0.000 2.358 448 E HA -0.034 4.317 4.350 0.000 0.000 0.195 448 E C 2.104 178.713 176.600 0.015 0.000 1.010 448 E CA 0.647 57.057 56.400 0.017 0.000 0.856 448 E CB -0.045 29.664 29.700 0.014 0.000 0.795 448 E HN 0.508 nan 8.360 nan 0.000 0.504 449 A N 2.610 125.439 122.820 0.015 0.000 1.873 449 A HA -0.156 4.164 4.320 0.000 0.000 0.218 449 A C -0.252 177.341 177.584 0.015 0.000 1.193 449 A CA 1.383 53.428 52.037 0.013 0.000 0.629 449 A CB -1.500 17.508 19.000 0.014 0.000 0.826 449 A HN 0.143 nan 8.150 nan 0.000 0.447 450 P HA -0.176 nan 4.420 nan 0.000 0.213 450 P C 1.791 179.104 177.300 0.021 0.000 1.170 450 P CA 1.212 64.324 63.100 0.020 0.000 0.902 450 P CB -0.163 31.551 31.700 0.023 0.000 0.789 451 L N -0.415 120.821 121.223 0.023 0.000 2.012 451 L HA -0.173 4.167 4.340 0.000 0.000 0.210 451 L C 2.431 179.306 176.870 0.009 0.000 1.073 451 L CA 1.902 56.757 54.840 0.024 0.000 0.748 451 L CB -0.725 41.351 42.059 0.029 0.000 0.891 451 L HN -0.224 nan 8.230 nan 0.000 0.431 452 R N -0.903 119.598 120.500 0.002 0.000 2.096 452 R HA -0.249 4.091 4.340 0.000 0.000 0.240 452 R C 2.352 178.650 176.300 -0.004 0.000 1.139 452 R CA 1.747 57.842 56.100 -0.009 0.000 0.952 452 R CB -0.614 29.683 30.300 -0.005 0.000 0.854 452 R HN 0.410 nan 8.270 nan 0.000 0.436 453 Q N 1.140 120.943 119.800 0.006 0.000 2.020 453 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 453 Q C 1.929 177.937 176.000 0.012 0.000 0.982 453 Q CA 1.641 57.449 55.803 0.008 0.000 0.838 453 Q CB -0.258 28.486 28.738 0.011 0.000 0.899 453 Q HN 0.358 nan 8.270 nan 0.000 0.423 454 I N -0.631 119.951 120.570 0.020 0.000 2.194 454 I HA -0.302 3.869 4.170 0.000 0.000 0.246 454 I C 2.047 178.189 176.117 0.042 0.000 1.093 454 I CA 1.078 62.398 61.300 0.033 0.000 1.355 454 I CB -0.275 37.752 38.000 0.046 0.000 1.046 454 I HN 0.081 nan 8.210 nan 0.000 0.413 455 V N 0.323 120.252 119.914 0.023 0.000 2.453 455 V HA -0.237 3.883 4.120 0.000 0.000 0.247 455 V C 2.285 178.377 176.094 -0.003 0.000 1.048 455 V CA 1.384 63.683 62.300 -0.002 0.000 1.049 455 V CB -0.351 31.404 31.823 -0.114 0.000 0.672 455 V HN 0.348 nan 8.190 nan 0.000 0.457 456 L N 0.806 122.026 121.223 -0.005 0.000 2.046 456 L HA -0.133 4.208 4.340 0.000 0.000 0.208 456 L C 2.174 179.049 176.870 0.008 0.000 1.077 456 L CA 1.874 56.714 54.840 -0.001 0.000 0.747 456 L CB -0.770 41.288 42.059 -0.001 0.000 0.896 456 L HN 0.315 nan 8.230 nan 0.000 0.432 457 N N -0.976 117.732 118.700 0.013 0.000 2.289 457 N HA -0.167 4.573 4.740 0.000 0.000 0.184 457 N C 1.717 177.238 175.510 0.020 0.000 1.016 457 N CA 1.599 54.657 53.050 0.015 0.000 0.872 457 N CB -0.793 37.703 38.487 0.014 0.000 0.973 457 N HN 0.444 nan 8.380 nan 0.000 0.433 458 C N -0.501 118.818 119.300 0.032 0.000 2.500 458 C HA 0.238 4.699 4.460 0.000 0.000 0.273 458 C C 1.699 176.707 174.990 0.030 0.000 1.428 458 C CA 0.233 59.275 59.018 0.041 0.000 1.766 458 C CB -1.242 26.549 27.740 0.085 0.000 1.817 458 C HN 0.608 nan 8.230 nan 0.000 0.543 459 G N 0.975 109.786 108.800 0.018 0.000 2.147 459 G HA2 -0.177 3.784 3.960 0.000 0.000 0.244 459 G HA3 -0.177 3.784 3.960 0.000 0.000 0.244 459 G C -0.214 174.693 174.900 0.011 0.000 1.005 459 G CA 0.199 45.306 45.100 0.012 0.000 0.713 459 G HN 0.517 nan 8.290 nan 0.000 0.515 460 E N -0.010 120.193 120.200 0.006 0.000 2.239 460 E HA 0.412 4.762 4.350 0.000 0.000 0.261 460 E C 0.252 176.831 176.600 -0.035 0.000 1.016 460 E CA -0.778 55.614 56.400 -0.014 0.000 0.882 460 E CB 0.669 30.351 29.700 -0.029 0.000 1.190 460 E HN 0.449 nan 8.360 nan 0.000 0.415 461 E N 2.605 122.780 120.200 -0.042 0.000 2.104 461 E HA 0.048 4.399 4.350 0.000 0.000 0.278 461 E C -1.434 175.128 176.600 -0.062 0.000 1.127 461 E CA -1.515 54.862 56.400 -0.037 0.000 0.897 461 E CB 0.776 30.464 29.700 -0.021 0.000 1.043 461 E HN 0.171 nan 8.360 nan 0.000 0.410 462 P HA -0.217 nan 4.420 nan 0.000 0.216 462 P C 1.198 178.469 177.300 -0.047 0.000 1.150 462 P CA 1.264 64.328 63.100 -0.061 0.000 0.837 462 P CB 0.244 31.923 31.700 -0.035 0.000 0.786 463 S N -0.962 114.721 115.700 -0.029 0.000 2.428 463 S HA -0.043 4.427 4.470 0.000 0.000 0.230 463 S C 2.072 176.663 174.600 -0.016 0.000 1.014 463 S CA 0.773 58.963 58.200 -0.018 0.000 0.957 463 S CB -1.582 61.612 63.200 -0.010 0.000 0.784 463 S HN -0.039 nan 8.310 nan 0.000 0.499 464 V N 1.702 121.604 119.914 -0.020 0.000 2.323 464 V HA -0.103 4.017 4.120 0.000 0.000 0.244 464 V C 2.646 178.740 176.094 -0.000 0.000 1.041 464 V CA 1.502 63.797 62.300 -0.008 0.000 1.025 464 V CB -0.719 31.102 31.823 -0.003 0.000 0.656 464 V HN 0.442 nan 8.190 nan 0.000 0.451 465 V N 0.472 120.359 119.914 -0.045 0.000 2.332 465 V HA -0.280 3.840 4.120 0.000 0.000 0.248 465 V C 2.718 178.819 176.094 0.012 0.000 1.055 465 V CA 2.118 64.382 62.300 -0.060 0.000 1.038 465 V CB -1.179 30.410 31.823 -0.390 0.000 0.651 465 V HN 0.560 nan 8.190 nan 0.000 0.450 466 A N 0.346 123.159 122.820 -0.012 0.000 1.902 466 A HA -0.292 4.029 4.320 0.000 0.000 0.217 466 A C 2.075 179.678 177.584 0.033 0.000 1.181 466 A CA 2.352 54.399 52.037 0.016 0.000 0.623 466 A CB -0.858 18.145 19.000 0.005 0.000 0.818 466 A HN 0.626 nan 8.150 nan 0.000 0.443 467 N N -0.730 117.981 118.700 0.019 0.000 2.120 467 N HA -0.119 4.621 4.740 0.000 0.000 0.188 467 N C 1.680 177.203 175.510 0.022 0.000 1.024 467 N CA 2.303 55.362 53.050 0.016 0.000 0.852 467 N CB -0.350 38.140 38.487 0.004 0.000 1.003 467 N HN 0.380 nan 8.380 nan 0.000 0.424 468 T N -0.439 114.127 114.554 0.021 0.000 2.737 468 T HA -0.062 4.288 4.350 0.000 0.000 0.265 468 T C 1.950 176.714 174.700 0.106 0.000 1.038 468 T CA 1.255 63.348 62.100 -0.011 0.000 1.144 468 T CB -0.417 68.351 68.868 -0.166 0.000 0.866 468 T HN 0.014 nan 8.240 nan 0.000 0.434 469 V N 2.037 122.054 119.914 0.170 0.000 2.255 469 V HA -0.209 3.912 4.120 0.000 0.000 0.247 469 V C 2.493 178.698 176.094 0.185 0.000 1.051 469 V CA 1.588 64.026 62.300 0.230 0.000 1.018 469 V CB -0.538 31.388 31.823 0.171 0.000 0.641 469 V HN 0.494 nan 8.190 nan 0.000 0.445 470 K N 0.435 120.898 120.400 0.105 0.000 2.160 470 K HA -0.159 4.161 4.320 0.000 0.000 0.206 470 K C 2.123 178.758 176.600 0.058 0.000 1.047 470 K CA 1.622 57.952 56.287 0.072 0.000 0.930 470 K CB -0.639 31.886 32.500 0.042 0.000 0.720 470 K HN 0.585 nan 8.250 nan 0.000 0.450 471 G N 1.207 110.035 108.800 0.046 0.000 2.572 471 G HA2 -0.025 3.935 3.960 0.000 0.000 0.216 471 G HA3 -0.025 3.935 3.960 0.000 0.000 0.216 471 G C 0.747 175.622 174.900 -0.040 0.000 1.133 471 G CA 0.466 45.565 45.100 -0.002 0.000 0.791 471 G HN 0.350 nan 8.290 nan 0.000 0.538 472 G N -0.858 107.936 108.800 -0.011 0.000 2.543 472 G HA2 0.459 4.419 3.960 0.000 0.000 0.290 472 G HA3 0.459 4.419 3.960 0.000 0.000 0.290 472 G C -1.370 173.512 174.900 -0.031 0.000 1.310 472 G CA -0.280 44.715 45.100 -0.175 0.000 1.025 472 G HN 0.104 nan 8.290 nan 0.000 0.502 473 D N -2.517 117.853 120.400 -0.051 0.000 2.527 473 D HA 0.553 5.193 4.640 0.000 0.000 0.233 473 D C 0.778 177.120 176.300 0.071 0.000 1.063 473 D CA 1.041 55.050 54.000 0.013 0.000 0.880 473 D CB 1.670 42.457 40.800 -0.021 0.000 1.457 473 D HN 1.000 nan 8.370 nan 0.000 0.475 474 G N 2.362 111.202 108.800 0.067 0.000 2.547 474 G HA2 -0.308 3.652 3.960 0.000 0.000 0.271 474 G HA3 -0.308 3.652 3.960 0.000 0.000 0.271 474 G C 0.557 175.520 174.900 0.105 0.000 1.209 474 G CA 0.102 45.245 45.100 0.073 0.000 0.959 474 G HN 0.604 nan 8.290 nan 0.000 0.563 475 N N 0.379 119.140 118.700 0.102 0.000 2.501 475 N HA 0.030 4.770 4.740 0.000 0.000 0.195 475 N C 0.574 176.171 175.510 0.145 0.000 1.213 475 N CA 0.444 53.555 53.050 0.102 0.000 0.864 475 N CB -0.027 38.501 38.487 0.067 0.000 0.999 475 N HN 0.497 nan 8.380 nan 0.000 0.454 476 Y N 1.506 121.837 120.300 0.052 0.000 2.721 476 Y HA 0.219 4.769 4.550 0.000 0.000 0.329 476 Y C 0.940 176.910 175.900 0.116 0.000 1.211 476 Y CA 0.528 58.674 58.100 0.077 0.000 1.512 476 Y CB 0.129 38.626 38.460 0.060 0.000 1.249 476 Y HN 0.097 nan 8.280 nan 0.000 0.549 477 G N 3.976 112.530 108.800 -0.410 0.000 2.561 477 G HA2 0.224 4.184 3.960 0.000 0.000 0.310 477 G HA3 0.224 4.184 3.960 0.000 0.000 0.310 477 G C -2.456 172.388 174.900 -0.094 0.000 1.292 477 G CA -0.965 44.029 45.100 -0.177 0.000 0.811 477 G HN 0.528 nan 8.290 nan 0.000 0.482 478 Y N 1.498 121.697 120.300 -0.168 0.000 2.331 478 Y HA 0.614 5.164 4.550 0.000 0.000 0.338 478 Y C -0.082 175.681 175.900 -0.227 0.000 0.992 478 Y CA -1.418 56.494 58.100 -0.312 0.000 1.121 478 Y CB 1.590 39.856 38.460 -0.323 0.000 1.184 478 Y HN 0.421 nan 8.280 nan 0.000 0.469 479 N N 4.574 122.906 118.700 -0.613 0.000 2.415 479 N HA 0.194 4.934 4.740 0.000 0.000 0.246 479 N C 0.334 175.400 175.510 -0.739 0.000 1.078 479 N CA 0.546 53.289 53.050 -0.511 0.000 0.942 479 N CB 1.366 39.635 38.487 -0.364 0.000 1.140 479 N HN 0.892 nan 8.380 nan 0.000 0.501 480 A N 3.819 126.378 122.820 -0.434 0.000 2.014 480 A HA 0.042 4.363 4.320 0.000 0.000 0.218 480 A C 2.054 179.509 177.584 -0.215 0.000 1.163 480 A CA 1.338 53.193 52.037 -0.304 0.000 0.652 480 A CB -0.469 18.515 19.000 -0.027 0.000 0.808 480 A HN 0.709 nan 8.150 nan 0.000 0.449 481 A N 0.002 122.713 122.820 -0.182 0.000 1.865 481 A HA -0.146 4.174 4.320 0.000 0.000 0.217 481 A C 2.332 179.822 177.584 -0.156 0.000 1.191 481 A CA 2.559 54.517 52.037 -0.132 0.000 0.623 481 A CB -1.135 17.804 19.000 -0.102 0.000 0.826 481 A HN 0.814 nan 8.150 nan 0.000 0.444 482 T N -3.713 110.711 114.554 -0.216 0.000 3.069 482 T HA 0.283 4.633 4.350 0.000 0.000 0.252 482 T C 0.216 174.777 174.700 -0.232 0.000 1.053 482 T CA 0.652 62.642 62.100 -0.184 0.000 0.964 482 T CB -0.245 68.527 68.868 -0.159 0.000 1.005 482 T HN 0.561 nan 8.240 nan 0.000 0.532 483 E N 1.388 121.356 120.200 -0.387 0.000 2.297 483 E HA -0.144 4.206 4.350 0.000 0.000 0.228 483 E C -0.717 175.644 176.600 -0.397 0.000 1.213 483 E CA 0.458 56.580 56.400 -0.464 0.000 0.712 483 E CB -0.790 28.836 29.700 -0.123 0.000 1.202 483 E HN 0.621 nan 8.360 nan 0.000 0.376 484 E N -0.555 119.325 120.200 -0.533 0.000 2.393 484 E HA 0.373 4.723 4.350 0.000 0.000 0.273 484 E C -0.674 175.699 176.600 -0.378 0.000 0.918 484 E CA -0.752 55.474 56.400 -0.291 0.000 0.773 484 E CB 0.973 30.595 29.700 -0.131 0.000 1.275 484 E HN 0.062 nan 8.360 nan 0.000 0.451 485 Y N -0.187 120.090 120.300 -0.037 0.000 2.374 485 Y HA 0.642 5.192 4.550 0.000 0.000 0.322 485 Y C 1.182 177.014 175.900 -0.114 0.000 1.275 485 Y CA 0.474 58.514 58.100 -0.100 0.000 1.307 485 Y CB 1.732 40.164 38.460 -0.046 0.000 1.282 485 Y HN 0.657 nan 8.280 nan 0.000 0.509 486 G N 0.566 109.340 108.800 -0.042 0.000 2.317 486 G HA2 -0.010 3.950 3.960 0.000 0.000 0.293 486 G HA3 -0.010 3.950 3.960 0.000 0.000 0.293 486 G C -1.928 172.987 174.900 0.026 0.000 1.287 486 G CA -1.186 43.941 45.100 0.046 0.000 0.850 486 G HN 0.515 nan 8.290 nan 0.000 0.515 487 N N 1.054 119.802 118.700 0.080 0.000 2.401 487 N HA 0.118 4.858 4.740 0.000 0.000 0.255 487 N C 1.601 177.124 175.510 0.023 0.000 1.110 487 N CA -0.448 52.647 53.050 0.075 0.000 0.949 487 N CB 0.805 39.342 38.487 0.083 0.000 1.110 487 N HN 0.398 nan 8.380 nan 0.000 0.490 488 M N 3.282 122.889 119.600 0.012 0.000 2.229 488 M HA -0.125 4.355 4.480 0.000 0.000 0.264 488 M C 1.469 177.769 176.300 -0.000 0.000 1.063 488 M CA 0.840 56.134 55.300 -0.009 0.000 1.114 488 M CB -0.255 32.342 32.600 -0.004 0.000 1.387 488 M HN 0.553 nan 8.290 nan 0.000 0.420 489 I N 0.565 121.144 120.570 0.015 0.000 2.193 489 I HA -0.228 3.943 4.170 0.000 0.000 0.240 489 I C 1.907 178.029 176.117 0.009 0.000 1.084 489 I CA 1.338 62.646 61.300 0.013 0.000 1.365 489 I CB -1.549 36.464 38.000 0.021 0.000 1.064 489 I HN 0.204 nan 8.210 nan 0.000 0.410 490 D N 0.959 121.367 120.400 0.014 0.000 2.149 490 D HA -0.220 4.420 4.640 0.000 0.000 0.194 490 D C 2.136 178.436 176.300 -0.001 0.000 1.001 490 D CA 1.470 55.476 54.000 0.010 0.000 0.849 490 D CB -0.292 40.519 40.800 0.017 0.000 0.939 490 D HN 0.347 nan 8.370 nan 0.000 0.449 491 M N -0.785 118.810 119.600 -0.009 0.000 2.659 491 M HA 0.144 4.624 4.480 0.000 0.000 0.243 491 M C 1.123 177.407 176.300 -0.027 0.000 1.111 491 M CA 0.662 55.947 55.300 -0.025 0.000 1.070 491 M CB 0.343 32.917 32.600 -0.044 0.000 1.525 491 M HN 0.096 nan 8.290 nan 0.000 0.517 492 G N 1.968 110.758 108.800 -0.017 0.000 2.147 492 G HA2 -0.249 3.712 3.960 0.000 0.000 0.244 492 G HA3 -0.249 3.712 3.960 0.000 0.000 0.244 492 G C -0.025 174.864 174.900 -0.019 0.000 1.005 492 G CA -0.244 44.847 45.100 -0.015 0.000 0.713 492 G HN 0.519 nan 8.290 nan 0.000 0.515 493 I N 1.065 121.622 120.570 -0.022 0.000 2.347 493 I HA 0.523 4.693 4.170 0.000 0.000 0.283 493 I C 0.211 176.322 176.117 -0.010 0.000 1.058 493 I CA -0.864 60.422 61.300 -0.024 0.000 1.202 493 I CB 0.504 38.478 38.000 -0.042 0.000 1.386 493 I HN 0.224 nan 8.210 nan 0.000 0.475 494 L N 3.510 124.731 121.223 -0.004 0.000 2.409 494 L HA 0.784 5.125 4.340 0.000 0.000 0.255 494 L C -1.255 175.619 176.870 0.008 0.000 1.027 494 L CA -0.781 54.062 54.840 0.004 0.000 0.834 494 L CB 1.405 43.468 42.059 0.007 0.000 1.426 494 L HN 0.051 nan 8.230 nan 0.000 0.411 495 D N -0.290 120.118 120.400 0.013 0.000 2.457 495 D HA 0.532 5.172 4.640 0.000 0.000 0.240 495 D C -2.767 173.545 176.300 0.019 0.000 1.041 495 D CA -1.317 52.693 54.000 0.017 0.000 0.861 495 D CB 2.206 43.018 40.800 0.020 0.000 1.394 495 D HN 0.370 nan 8.370 nan 0.000 0.473 496 P HA 0.079 nan 4.420 nan 0.000 0.268 496 P C 0.834 178.148 177.300 0.023 0.000 1.204 496 P CA -0.038 63.075 63.100 0.022 0.000 0.768 496 P CB 0.508 32.224 31.700 0.026 0.000 0.842 497 T N 1.989 116.555 114.554 0.020 0.000 2.778 497 T HA -0.230 4.120 4.350 0.000 0.000 0.269 497 T C 1.577 176.290 174.700 0.021 0.000 1.050 497 T CA 1.472 63.584 62.100 0.019 0.000 1.137 497 T CB -0.332 68.545 68.868 0.016 0.000 0.860 497 T HN 0.504 nan 8.240 nan 0.000 0.468 498 K N 0.761 121.175 120.400 0.023 0.000 2.147 498 K HA -0.063 4.257 4.320 0.000 0.000 0.205 498 K C 2.383 179.007 176.600 0.039 0.000 1.049 498 K CA 1.100 57.403 56.287 0.027 0.000 0.936 498 K CB -0.221 32.294 32.500 0.025 0.000 0.722 498 K HN 0.342 nan 8.250 nan 0.000 0.446 499 V N -0.468 119.469 119.914 0.039 0.000 2.488 499 V HA -0.128 3.992 4.120 0.000 0.000 0.246 499 V C 1.641 177.765 176.094 0.049 0.000 1.046 499 V CA 2.189 64.518 62.300 0.048 0.000 1.053 499 V CB -0.413 31.437 31.823 0.044 0.000 0.679 499 V HN 0.276 nan 8.190 nan 0.000 0.458 500 T N 0.691 115.267 114.554 0.038 0.000 2.777 500 T HA -0.126 4.224 4.350 0.000 0.000 0.266 500 T C 1.944 176.664 174.700 0.033 0.000 1.040 500 T CA 1.993 64.113 62.100 0.034 0.000 1.141 500 T CB -0.356 68.528 68.868 0.027 0.000 0.868 500 T HN 0.637 nan 8.240 nan 0.000 0.444 501 R N 1.123 121.639 120.500 0.026 0.000 2.073 501 R HA -0.088 4.253 4.340 0.000 0.000 0.234 501 R C 2.483 178.791 176.300 0.013 0.000 1.134 501 R CA 1.845 57.952 56.100 0.011 0.000 0.952 501 R CB -0.398 29.904 30.300 0.003 0.000 0.850 501 R HN 0.237 nan 8.270 nan 0.000 0.433 502 S N 0.812 116.540 115.700 0.047 0.000 2.356 502 S HA -0.139 4.331 4.470 0.000 0.000 0.223 502 S C 2.104 176.809 174.600 0.176 0.000 1.032 502 S CA 1.188 59.453 58.200 0.108 0.000 1.005 502 S CB -0.371 62.948 63.200 0.199 0.000 0.867 502 S HN 0.586 nan 8.310 nan 0.000 0.449 503 A N 1.480 124.380 122.820 0.132 0.000 1.908 503 A HA -0.052 4.268 4.320 0.000 0.000 0.218 503 A C 2.116 179.759 177.584 0.098 0.000 1.181 503 A CA 1.215 53.326 52.037 0.123 0.000 0.627 503 A CB -0.725 18.321 19.000 0.076 0.000 0.818 503 A HN 0.458 nan 8.150 nan 0.000 0.445 504 L N -1.019 120.237 121.223 0.055 0.000 2.072 504 L HA -0.194 4.146 4.340 0.000 0.000 0.205 504 L C 2.748 179.621 176.870 0.005 0.000 1.079 504 L CA 1.721 56.578 54.840 0.029 0.000 0.752 504 L CB -0.492 41.575 42.059 0.012 0.000 0.906 504 L HN 0.550 nan 8.230 nan 0.000 0.436 505 Q N -1.214 118.559 119.800 -0.044 0.000 2.020 505 Q HA -0.218 4.122 4.340 0.000 0.000 0.198 505 Q C 2.068 177.980 176.000 -0.146 0.000 0.974 505 Q CA 1.740 57.462 55.803 -0.135 0.000 0.829 505 Q CB -0.255 28.336 28.738 -0.246 0.000 0.894 505 Q HN 0.424 nan 8.270 nan 0.000 0.433 506 Y N 0.601 120.904 120.300 0.005 0.000 2.114 506 Y HA -0.291 4.259 4.550 0.000 0.000 0.282 506 Y C 2.443 178.347 175.900 0.006 0.000 1.165 506 Y CA 1.231 59.334 58.100 0.005 0.000 1.148 506 Y CB -0.795 37.668 38.460 0.005 0.000 0.972 506 Y HN 0.171 nan 8.280 nan 0.000 0.504 507 A N -0.068 122.841 122.820 0.148 0.000 1.902 507 A HA -0.137 4.184 4.320 0.000 0.000 0.217 507 A C 2.433 180.052 177.584 0.058 0.000 1.181 507 A CA 1.946 54.036 52.037 0.088 0.000 0.623 507 A CB -1.213 17.826 19.000 0.064 0.000 0.818 507 A HN 0.417 nan 8.150 nan 0.000 0.443 508 A N -1.115 121.728 122.820 0.037 0.000 2.014 508 A HA 0.026 4.347 4.320 0.000 0.000 0.218 508 A C 2.375 179.970 177.584 0.019 0.000 1.163 508 A CA 1.806 53.854 52.037 0.018 0.000 0.652 508 A CB -0.738 18.262 19.000 0.000 0.000 0.808 508 A HN 0.531 nan 8.150 nan 0.000 0.449 509 S N 0.011 115.726 115.700 0.026 0.000 2.344 509 S HA -0.165 4.305 4.470 0.000 0.000 0.217 509 S C 2.020 176.649 174.600 0.049 0.000 1.033 509 S CA 2.219 60.440 58.200 0.034 0.000 1.017 509 S CB -0.751 62.480 63.200 0.051 0.000 0.941 509 S HN 0.656 nan 8.310 nan 0.000 0.430 510 V N 1.798 121.753 119.914 0.067 0.000 2.343 510 V HA -0.021 4.100 4.120 0.000 0.000 0.247 510 V C 2.802 178.918 176.094 0.037 0.000 1.051 510 V CA 1.609 63.940 62.300 0.051 0.000 1.036 510 V CB -1.942 29.911 31.823 0.049 0.000 0.654 510 V HN 0.570 nan 8.190 nan 0.000 0.451 511 A N 1.584 124.425 122.820 0.036 0.000 1.892 511 A HA -0.100 4.220 4.320 0.000 0.000 0.218 511 A C 2.427 180.024 177.584 0.022 0.000 1.188 511 A CA 2.392 54.445 52.037 0.027 0.000 0.631 511 A CB -1.505 17.510 19.000 0.024 0.000 0.822 511 A HN 0.618 nan 8.150 nan 0.000 0.447 512 G N -0.366 108.446 108.800 0.020 0.000 2.421 512 G HA2 -0.152 3.808 3.960 0.000 0.000 0.216 512 G HA3 -0.152 3.808 3.960 0.000 0.000 0.216 512 G C 1.560 176.470 174.900 0.017 0.000 1.171 512 G CA 0.989 46.099 45.100 0.016 0.000 0.775 512 G HN 0.438 nan 8.290 nan 0.000 0.543 513 L N -0.251 120.985 121.223 0.021 0.000 2.079 513 L HA -0.077 4.263 4.340 0.000 0.000 0.210 513 L C 2.879 179.761 176.870 0.021 0.000 1.081 513 L CA 1.564 56.417 54.840 0.021 0.000 0.752 513 L CB -0.287 41.787 42.059 0.025 0.000 0.896 513 L HN 0.332 nan 8.230 nan 0.000 0.433 514 M N -0.209 119.404 119.600 0.022 0.000 2.156 514 M HA -0.150 4.330 4.480 0.000 0.000 0.264 514 M C 2.221 178.532 176.300 0.018 0.000 1.067 514 M CA 1.655 56.967 55.300 0.021 0.000 1.131 514 M CB 0.014 32.628 32.600 0.022 0.000 1.368 514 M HN 0.080 nan 8.290 nan 0.000 0.416 515 I N 0.402 120.982 120.570 0.017 0.000 2.423 515 I HA -0.233 3.937 4.170 0.000 0.000 0.254 515 I C 1.299 177.426 176.117 0.016 0.000 1.151 515 I CA 1.626 62.935 61.300 0.015 0.000 1.421 515 I CB -0.418 37.590 38.000 0.014 0.000 1.079 515 I HN 0.475 nan 8.210 nan 0.000 0.431 516 T N -3.318 111.246 114.554 0.017 0.000 3.251 516 T HA 0.180 4.531 4.350 0.000 0.000 0.259 516 T C 0.451 175.163 174.700 0.021 0.000 0.998 516 T CA -0.318 61.792 62.100 0.018 0.000 0.905 516 T CB -0.364 68.514 68.868 0.016 0.000 1.067 516 T HN -0.073 nan 8.240 nan 0.000 0.569 517 T N 2.298 116.864 114.554 0.020 0.000 2.767 517 T HA 0.293 4.643 4.350 0.000 0.000 0.288 517 T C 0.677 175.392 174.700 0.025 0.000 0.963 517 T CA -0.535 61.577 62.100 0.020 0.000 1.019 517 T CB 1.533 70.410 68.868 0.016 0.000 0.923 517 T HN 0.128 nan 8.240 nan 0.000 0.468 518 E N 0.743 120.965 120.200 0.036 0.000 2.431 518 E HA 0.137 4.487 4.350 0.000 0.000 0.200 518 E C 0.208 176.835 176.600 0.044 0.000 0.995 518 E CA 0.169 56.609 56.400 0.068 0.000 0.915 518 E CB 0.600 30.370 29.700 0.117 0.000 0.930 518 E HN 0.521 nan 8.360 nan 0.000 0.496 519 C N 0.792 120.070 119.300 -0.038 0.000 2.701 519 C HA 0.614 5.074 4.460 0.000 0.000 0.336 519 C C -1.136 173.763 174.990 -0.152 0.000 1.123 519 C CA -0.633 58.259 59.018 -0.210 0.000 1.326 519 C CB 0.176 27.803 27.740 -0.189 0.000 1.833 519 C HN 0.099 nan 8.230 nan 0.000 0.473 520 M N 5.496 124.992 119.600 -0.173 0.000 2.321 520 M HA 0.596 5.077 4.480 0.000 0.000 0.315 520 M C -0.957 175.394 176.300 0.084 0.000 1.052 520 M CA -0.552 54.766 55.300 0.029 0.000 0.936 520 M CB 2.046 34.775 32.600 0.214 0.000 1.639 520 M HN 0.381 nan 8.290 nan 0.000 0.433 521 V N 1.571 121.512 119.914 0.045 0.000 2.487 521 V HA 0.772 4.892 4.120 0.000 0.000 0.298 521 V C -0.261 175.799 176.094 -0.056 0.000 1.028 521 V CA -0.389 61.920 62.300 0.015 0.000 0.860 521 V CB 1.951 33.765 31.823 -0.015 0.000 0.991 521 V HN 0.949 nan 8.190 nan 0.000 0.427 522 T N 1.927 116.409 114.554 -0.120 0.000 2.792 522 T HA 0.385 4.735 4.350 0.000 0.000 0.303 522 T C -1.504 173.099 174.700 -0.162 0.000 1.310 522 T CA -0.585 61.386 62.100 -0.214 0.000 1.007 522 T CB 1.922 70.511 68.868 -0.466 0.000 1.335 522 T HN 0.616 nan 8.240 nan 0.000 0.504 523 D N 1.669 121.984 120.400 -0.141 0.000 2.362 523 D HA 0.290 4.930 4.640 0.000 0.000 0.242 523 D C 0.232 176.477 176.300 -0.091 0.000 1.132 523 D CA -0.011 53.934 54.000 -0.090 0.000 0.907 523 D CB 0.512 41.269 40.800 -0.072 0.000 1.195 523 D HN 0.423 nan 8.370 nan 0.000 0.429 524 L N 3.391 124.587 121.223 -0.045 0.000 2.455 524 L HA 0.130 4.470 4.340 0.000 0.000 0.272 524 L C -1.203 175.647 176.870 -0.032 0.000 1.174 524 L CA -1.330 53.495 54.840 -0.026 0.000 0.869 524 L CB 0.150 42.208 42.059 -0.002 0.000 1.130 524 L HN 0.312 nan 8.230 nan 0.000 0.474 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.085 63.100 -0.025 0.000 0.800 525 P CB 0.000 31.694 31.700 -0.010 0.000 0.726