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 1kpo_1_X DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEAALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 -0.000 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 A N 1.328 124.146 122.820 -0.003 0.000 2.540 3 A HA 0.397 4.717 4.320 -0.000 0.000 0.268 3 A C 0.427 178.008 177.584 -0.006 0.000 1.061 3 A CA 0.633 52.668 52.037 -0.003 0.000 0.821 3 A CB -0.742 18.253 19.000 -0.007 0.000 0.970 3 A HN 0.539 nan 8.150 nan 0.000 0.524 4 K N 1.872 122.273 120.400 0.003 0.000 2.098 4 K HA 0.379 4.699 4.320 -0.000 0.000 0.244 4 K C -0.493 176.109 176.600 0.004 0.000 1.014 4 K CA -0.589 55.702 56.287 0.007 0.000 0.917 4 K CB 0.848 33.362 32.500 0.024 0.000 1.072 4 K HN 0.730 nan 8.250 nan 0.000 0.477 5 D N 0.224 120.633 120.400 0.014 0.000 2.350 5 D HA 0.429 5.069 4.640 -0.000 0.000 0.245 5 D C -1.455 174.903 176.300 0.096 0.000 1.036 5 D CA -0.708 53.306 54.000 0.024 0.000 0.848 5 D CB 1.475 42.253 40.800 -0.036 0.000 1.307 5 D HN 0.048 nan 8.370 nan 0.000 0.469 6 V N 3.635 123.556 119.914 0.013 0.000 2.686 6 V HA 0.460 4.580 4.120 -0.000 0.000 0.306 6 V C -0.278 175.573 176.094 -0.405 0.000 1.065 6 V CA -0.754 61.457 62.300 -0.148 0.000 0.894 6 V CB 2.089 33.778 31.823 -0.224 0.000 1.004 6 V HN 0.468 nan 8.190 nan 0.000 0.424 7 K N 3.274 123.354 120.400 -0.533 0.000 2.385 7 K HA 0.825 5.145 4.320 -0.000 0.000 0.248 7 K C -1.762 174.467 176.600 -0.618 0.000 0.955 7 K CA -0.508 55.424 56.287 -0.591 0.000 0.816 7 K CB 2.412 34.687 32.500 -0.374 0.000 1.250 7 K HN 0.449 nan 8.250 nan 0.000 0.434 8 F N -0.281 119.618 119.950 -0.085 0.000 2.620 8 F HA 0.595 5.122 4.527 -0.000 0.000 0.320 8 F C 0.856 176.618 175.800 -0.063 0.000 1.069 8 F CA -0.413 57.542 58.000 -0.076 0.000 0.953 8 F CB 1.288 40.262 39.000 -0.044 0.000 1.322 8 F HN 0.766 nan 8.300 nan 0.000 0.479 9 G N 1.316 110.212 108.800 0.161 0.000 2.601 9 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.252 9 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.252 9 G C 0.783 175.700 174.900 0.028 0.000 1.294 9 G CA 0.384 45.526 45.100 0.071 0.000 0.912 9 G HN 0.833 nan 8.290 nan 0.000 0.574 10 N N 0.274 118.986 118.700 0.020 0.000 2.100 10 N HA -0.276 4.464 4.740 -0.000 0.000 0.199 10 N C 1.739 177.246 175.510 -0.006 0.000 1.017 10 N CA 2.294 55.348 53.050 0.007 0.000 0.890 10 N CB -0.391 38.103 38.487 0.012 0.000 1.080 10 N HN 0.696 nan 8.380 nan 0.000 0.525 11 D N 0.728 121.127 120.400 -0.002 0.000 2.303 11 D HA -0.268 4.372 4.640 -0.000 0.000 0.190 11 D C 1.830 178.085 176.300 -0.075 0.000 1.011 11 D CA 1.902 55.892 54.000 -0.017 0.000 0.860 11 D CB -0.784 40.008 40.800 -0.013 0.000 0.961 11 D HN 0.437 nan 8.370 nan 0.000 0.453 12 A N -0.002 122.741 122.820 -0.129 0.000 2.042 12 A HA -0.267 4.053 4.320 -0.000 0.000 0.222 12 A C 2.127 179.615 177.584 -0.159 0.000 1.167 12 A CA 1.977 53.870 52.037 -0.239 0.000 0.649 12 A CB -0.388 18.510 19.000 -0.170 0.000 0.809 12 A HN 0.188 nan 8.150 nan 0.000 0.457 13 R N -1.067 119.388 120.500 -0.075 0.000 2.062 13 R HA 0.010 4.350 4.340 -0.000 0.000 0.218 13 R C 2.240 178.526 176.300 -0.024 0.000 1.161 13 R CA 1.128 57.203 56.100 -0.043 0.000 0.994 13 R CB -0.774 29.513 30.300 -0.022 0.000 0.888 13 R HN 0.511 nan 8.270 nan 0.000 0.442 14 V N 0.885 120.793 119.914 -0.011 0.000 2.428 14 V HA -0.294 3.826 4.120 -0.000 0.000 0.255 14 V C 1.881 177.984 176.094 0.014 0.000 1.080 14 V CA 1.699 64.001 62.300 0.004 0.000 1.083 14 V CB -0.528 31.300 31.823 0.010 0.000 0.665 14 V HN 0.147 nan 8.190 nan 0.000 0.461 15 K N -0.058 120.351 120.400 0.016 0.000 2.002 15 K HA -0.020 4.300 4.320 -0.000 0.000 0.209 15 K C 2.266 178.892 176.600 0.043 0.000 1.048 15 K CA 2.158 58.480 56.287 0.057 0.000 0.930 15 K CB -0.574 31.991 32.500 0.108 0.000 0.714 15 K HN 0.553 nan 8.250 nan 0.000 0.438 16 M N 0.468 120.072 119.600 0.008 0.000 2.080 16 M HA -0.211 4.269 4.480 -0.000 0.000 0.260 16 M C 2.210 178.517 176.300 0.012 0.000 1.068 16 M CA 1.227 56.532 55.300 0.008 0.000 1.109 16 M CB -0.427 32.164 32.600 -0.014 0.000 1.342 16 M HN 0.067 nan 8.290 nan 0.000 0.405 17 L N 0.778 122.005 121.223 0.007 0.000 1.932 17 L HA -0.218 4.122 4.340 -0.000 0.000 0.217 17 L C 2.428 179.305 176.870 0.013 0.000 1.077 17 L CA 2.104 56.949 54.840 0.008 0.000 0.765 17 L CB -1.013 41.050 42.059 0.006 0.000 0.888 17 L HN 0.160 nan 8.230 nan 0.000 0.433 18 R N 0.291 120.800 120.500 0.016 0.000 2.174 18 R HA -0.138 4.201 4.340 -0.000 0.000 0.253 18 R C 2.065 178.377 176.300 0.020 0.000 1.165 18 R CA 1.793 57.903 56.100 0.017 0.000 0.984 18 R CB -1.497 28.816 30.300 0.022 0.000 0.873 18 R HN 0.635 nan 8.270 nan 0.000 0.456 19 G N -0.673 108.142 108.800 0.026 0.000 2.403 19 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 19 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 19 G C 1.398 176.308 174.900 0.018 0.000 1.154 19 G CA 0.877 45.993 45.100 0.027 0.000 0.784 19 G HN 0.361 nan 8.290 nan 0.000 0.538 20 V N -1.107 118.815 119.914 0.014 0.000 2.649 20 V HA 0.007 4.127 4.120 -0.000 0.000 0.248 20 V C 2.178 178.276 176.094 0.007 0.000 1.054 20 V CA 1.586 63.892 62.300 0.009 0.000 1.073 20 V CB -0.633 31.194 31.823 0.008 0.000 0.699 20 V HN 0.124 nan 8.190 nan 0.000 0.463 21 N N 1.043 119.747 118.700 0.007 0.000 2.322 21 N HA -0.135 4.605 4.740 -0.000 0.000 0.189 21 N C 1.620 177.132 175.510 0.003 0.000 1.012 21 N CA 1.694 54.747 53.050 0.005 0.000 0.880 21 N CB -0.437 38.053 38.487 0.005 0.000 0.967 21 N HN 0.530 nan 8.380 nan 0.000 0.439 22 V N 0.620 120.537 119.914 0.004 0.000 2.256 22 V HA -0.123 3.997 4.120 -0.000 0.000 0.240 22 V C 2.311 178.405 176.094 0.000 0.000 1.036 22 V CA 0.787 63.088 62.300 0.002 0.000 1.008 22 V CB -0.641 31.183 31.823 0.002 0.000 0.648 22 V HN 0.169 nan 8.190 nan 0.000 0.453 23 L N 0.796 122.020 121.223 0.001 0.000 2.064 23 L HA -0.233 4.107 4.340 -0.000 0.000 0.216 23 L C 2.239 179.108 176.870 -0.002 0.000 1.077 23 L CA 2.590 57.429 54.840 -0.001 0.000 0.766 23 L CB -1.004 41.055 42.059 -0.001 0.000 0.890 23 L HN 0.292 nan 8.230 nan 0.000 0.435 24 A N -0.849 121.971 122.820 -0.000 0.000 1.824 24 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 24 A C 1.953 179.536 177.584 -0.002 0.000 1.244 24 A CA 1.423 53.460 52.037 -0.000 0.000 0.604 24 A CB -1.176 17.825 19.000 0.001 0.000 0.900 24 A HN 0.491 nan 8.150 nan 0.000 0.455 25 D N 0.237 120.636 120.400 -0.002 0.000 2.276 25 D HA -0.168 4.472 4.640 -0.000 0.000 0.200 25 D C 1.570 177.868 176.300 -0.004 0.000 1.004 25 D CA 1.632 55.630 54.000 -0.003 0.000 0.898 25 D CB -0.293 40.506 40.800 -0.002 0.000 0.906 25 D HN 0.442 nan 8.370 nan 0.000 0.457 26 A N -0.453 122.365 122.820 -0.004 0.000 2.337 26 A HA 0.287 4.607 4.320 -0.000 0.000 0.227 26 A C 1.634 179.215 177.584 -0.005 0.000 1.259 26 A CA -0.036 51.998 52.037 -0.005 0.000 0.870 26 A CB 0.543 19.540 19.000 -0.005 0.000 0.927 26 A HN 0.132 nan 8.150 nan 0.000 0.497 27 V N -0.866 119.045 119.914 -0.005 0.000 3.180 27 V HA -0.027 4.093 4.120 -0.000 0.000 0.246 27 V C 1.615 177.706 176.094 -0.005 0.000 1.545 27 V CA 0.850 63.147 62.300 -0.005 0.000 1.138 27 V CB 0.025 31.845 31.823 -0.005 0.000 0.978 27 V HN 0.663 nan 8.190 nan 0.000 0.437 28 K N 2.272 122.670 120.400 -0.005 0.000 2.665 28 K HA 0.014 4.334 4.320 -0.000 0.000 0.196 28 K C 1.213 177.809 176.600 -0.007 0.000 1.021 28 K CA 1.398 57.682 56.287 -0.005 0.000 1.066 28 K CB -0.134 32.363 32.500 -0.005 0.000 0.849 28 K HN 0.520 nan 8.250 nan 0.000 0.500 29 V N -2.676 117.234 119.914 -0.006 0.000 2.908 29 V HA -0.042 4.078 4.120 -0.000 0.000 0.240 29 V C 2.122 178.213 176.094 -0.005 0.000 1.117 29 V CA 0.808 63.105 62.300 -0.006 0.000 1.133 29 V CB -0.336 31.484 31.823 -0.006 0.000 0.857 29 V HN 0.434 nan 8.190 nan 0.000 0.478 30 T N -0.473 114.078 114.554 -0.005 0.000 3.427 30 T HA 0.109 4.459 4.350 -0.000 0.000 0.256 30 T C 0.411 175.109 174.700 -0.004 0.000 1.172 30 T CA 0.144 62.242 62.100 -0.004 0.000 1.018 30 T CB -1.032 67.834 68.868 -0.005 0.000 0.981 30 T HN 0.281 nan 8.240 nan 0.000 0.555 31 L N 2.170 123.390 121.223 -0.005 0.000 2.313 31 L HA 0.593 4.933 4.340 -0.000 0.000 0.282 31 L C 0.972 177.840 176.870 -0.003 0.000 1.092 31 L CA 1.462 56.300 54.840 -0.004 0.000 0.831 31 L CB -0.264 41.791 42.059 -0.006 0.000 1.159 31 L HN 0.642 nan 8.230 nan 0.000 0.442 32 G N 5.068 113.868 108.800 -0.000 0.000 2.527 32 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.227 32 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.227 32 G C -1.993 172.909 174.900 0.003 0.000 1.291 32 G CA -0.067 45.035 45.100 0.003 0.000 0.904 32 G HN 0.597 nan 8.290 nan 0.000 0.577 33 P HA 0.216 nan 4.420 nan 0.000 0.226 33 P C 0.920 178.222 177.300 0.004 0.000 1.160 33 P CA 0.826 63.929 63.100 0.004 0.000 0.837 33 P CB 0.220 31.923 31.700 0.004 0.000 0.860 34 K N 1.101 121.505 120.400 0.007 0.000 2.596 34 K HA 0.269 4.589 4.320 -0.000 0.000 0.211 34 K C 1.006 177.607 176.600 0.002 0.000 1.046 34 K CA -0.141 56.150 56.287 0.006 0.000 1.202 34 K CB -0.455 32.052 32.500 0.011 0.000 0.925 34 K HN 0.114 nan 8.250 nan 0.000 0.486 35 G N 1.412 110.212 108.800 0.000 0.000 2.491 35 G HA2 0.136 4.096 3.960 -0.000 0.000 0.242 35 G HA3 0.136 4.096 3.960 -0.000 0.000 0.242 35 G C 0.211 175.110 174.900 -0.002 0.000 1.266 35 G CA -0.447 44.652 45.100 -0.002 0.000 0.844 35 G HN 0.075 nan 8.290 nan 0.000 0.571 36 R N 0.854 121.353 120.500 -0.003 0.000 2.541 36 R HA 0.288 4.628 4.340 -0.000 0.000 0.254 36 R C -0.252 176.046 176.300 -0.003 0.000 1.130 36 R CA -0.923 55.176 56.100 -0.003 0.000 1.152 36 R CB 0.066 30.364 30.300 -0.003 0.000 1.222 36 R HN 0.578 nan 8.270 nan 0.000 0.579 37 N N -1.066 117.632 118.700 -0.003 0.000 2.443 37 N HA 0.386 5.126 4.740 -0.000 0.000 0.295 37 N C -1.127 174.381 175.510 -0.003 0.000 1.076 37 N CA -0.513 52.536 53.050 -0.003 0.000 0.919 37 N CB 1.720 40.206 38.487 -0.002 0.000 1.176 37 N HN 0.088 nan 8.380 nan 0.000 0.487 38 V N 1.922 121.834 119.914 -0.004 0.000 2.487 38 V HA 0.368 4.488 4.120 -0.000 0.000 0.298 38 V C -0.543 175.548 176.094 -0.005 0.000 1.028 38 V CA -0.821 61.476 62.300 -0.005 0.000 0.860 38 V CB 1.745 33.565 31.823 -0.006 0.000 0.991 38 V HN 0.377 nan 8.190 nan 0.000 0.427 39 V N 6.341 126.252 119.914 -0.005 0.000 2.383 39 V HA 0.429 4.549 4.120 -0.000 0.000 0.275 39 V C -0.043 176.046 176.094 -0.007 0.000 1.036 39 V CA -0.464 61.833 62.300 -0.005 0.000 0.889 39 V CB 1.240 33.061 31.823 -0.004 0.000 0.985 39 V HN 0.630 nan 8.190 nan 0.000 0.459 40 L N 3.587 124.806 121.223 -0.008 0.000 2.321 40 L HA 0.393 4.733 4.340 -0.000 0.000 0.272 40 L C 0.193 177.055 176.870 -0.013 0.000 1.050 40 L CA -0.494 54.340 54.840 -0.011 0.000 0.893 40 L CB 0.734 42.787 42.059 -0.011 0.000 1.272 40 L HN 0.632 nan 8.230 nan 0.000 0.435 41 D N 3.074 123.464 120.400 -0.016 0.000 2.629 41 D HA -0.054 4.586 4.640 -0.000 0.000 0.228 41 D C -0.011 176.272 176.300 -0.028 0.000 1.127 41 D CA 1.182 55.170 54.000 -0.020 0.000 0.855 41 D CB 0.882 41.667 40.800 -0.024 0.000 1.180 41 D HN 0.339 nan 8.370 nan 0.000 0.484 42 K N 0.929 121.312 120.400 -0.028 0.000 2.306 42 K HA 0.367 4.687 4.320 -0.000 0.000 0.236 42 K C 1.012 177.569 176.600 -0.071 0.000 1.013 42 K CA -0.587 55.676 56.287 -0.040 0.000 0.857 42 K CB 1.258 33.751 32.500 -0.012 0.000 1.214 42 K HN 0.544 nan 8.250 nan 0.000 0.449 43 S N 0.835 116.451 115.700 -0.139 0.000 2.309 43 S HA 0.047 4.517 4.470 -0.000 0.000 0.206 43 S C 0.478 174.959 174.600 -0.198 0.000 1.028 43 S CA 0.487 58.516 58.200 -0.284 0.000 0.972 43 S CB -0.351 62.518 63.200 -0.552 0.000 0.961 43 S HN 0.366 nan 8.310 nan 0.000 0.449 44 F N 3.129 123.078 119.950 -0.002 0.000 2.404 44 F HA 0.702 5.229 4.527 -0.000 0.000 0.358 44 F C 1.252 177.051 175.800 -0.002 0.000 1.120 44 F CA 0.052 58.050 58.000 -0.002 0.000 1.144 44 F CB 0.574 39.573 39.000 -0.003 0.000 1.133 44 F HN 0.819 nan 8.300 nan 0.000 0.495 45 G N 1.375 110.287 108.800 0.187 0.000 2.342 45 G HA2 0.374 4.334 3.960 -0.000 0.000 0.220 45 G HA3 0.374 4.334 3.960 -0.000 0.000 0.220 45 G C -1.478 173.459 174.900 0.063 0.000 1.243 45 G CA -0.560 44.601 45.100 0.102 0.000 1.083 45 G HN 0.919 nan 8.290 nan 0.000 0.500 46 A N 0.472 123.318 122.820 0.043 0.000 2.303 46 A HA 0.882 5.202 4.320 -0.000 0.000 0.317 46 A C -1.696 175.899 177.584 0.019 0.000 1.149 46 A CA -0.799 51.254 52.037 0.027 0.000 0.822 46 A CB 0.280 19.293 19.000 0.022 0.000 1.131 46 A HN 0.673 nan 8.150 nan 0.000 0.493 47 P HA 0.139 nan 4.420 nan 0.000 0.270 47 P C -0.278 177.025 177.300 0.005 0.000 1.216 47 P CA 0.417 63.520 63.100 0.004 0.000 0.788 47 P CB 0.338 32.039 31.700 0.002 0.000 0.883 48 T N 1.908 116.463 114.554 0.001 0.000 2.779 48 T HA 0.543 4.893 4.350 -0.000 0.000 0.280 48 T C 0.074 174.773 174.700 -0.000 0.000 0.987 48 T CA -0.336 61.765 62.100 0.002 0.000 0.966 48 T CB 0.219 69.087 68.868 0.001 0.000 0.933 48 T HN 0.155 nan 8.240 nan 0.000 0.442 49 I N 2.705 123.276 120.570 0.001 0.000 2.362 49 I HA 0.583 4.753 4.170 -0.000 0.000 0.289 49 I C 0.411 176.527 176.117 -0.001 0.000 0.994 49 I CA -0.484 60.815 61.300 -0.000 0.000 1.158 49 I CB 1.756 39.757 38.000 0.001 0.000 1.315 49 I HN 0.515 nan 8.210 nan 0.000 0.451 50 T N 4.216 118.769 114.554 -0.002 0.000 2.762 50 T HA 0.412 4.762 4.350 -0.000 0.000 0.301 50 T C -0.307 174.391 174.700 -0.003 0.000 1.299 50 T CA -0.561 61.538 62.100 -0.002 0.000 1.005 50 T CB 1.815 70.681 68.868 -0.003 0.000 1.377 50 T HN 0.679 nan 8.240 nan 0.000 0.504 51 K N 0.757 121.155 120.400 -0.004 0.000 2.533 51 K HA 0.205 4.525 4.320 -0.000 0.000 0.202 51 K C -0.862 175.735 176.600 -0.005 0.000 1.096 51 K CA -0.250 56.034 56.287 -0.004 0.000 1.056 51 K CB 0.635 33.133 32.500 -0.003 0.000 0.890 51 K HN 0.365 nan 8.250 nan 0.000 0.552 52 D N 0.937 121.334 120.400 -0.006 0.000 2.483 52 D HA 0.086 4.726 4.640 -0.000 0.000 0.220 52 D C 1.322 177.616 176.300 -0.009 0.000 1.173 52 D CA -0.076 53.919 54.000 -0.008 0.000 0.964 52 D CB 0.630 41.425 40.800 -0.009 0.000 1.046 52 D HN 0.280 nan 8.370 nan 0.000 0.517 53 G N 2.006 110.801 108.800 -0.009 0.000 2.581 53 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.223 53 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.223 53 G C 1.442 176.336 174.900 -0.011 0.000 1.094 53 G CA 0.929 46.024 45.100 -0.009 0.000 0.736 53 G HN 0.473 nan 8.290 nan 0.000 0.588 54 V N 0.391 120.297 119.914 -0.013 0.000 2.346 54 V HA -0.116 4.004 4.120 -0.000 0.000 0.244 54 V C 2.975 179.060 176.094 -0.014 0.000 1.037 54 V CA 2.096 64.387 62.300 -0.015 0.000 1.029 54 V CB -0.474 31.338 31.823 -0.019 0.000 0.663 54 V HN 0.364 nan 8.190 nan 0.000 0.454 55 S N -0.118 115.574 115.700 -0.012 0.000 2.402 55 S HA -0.133 4.337 4.470 -0.000 0.000 0.229 55 S C 1.970 176.563 174.600 -0.011 0.000 1.021 55 S CA 1.225 59.419 58.200 -0.010 0.000 0.974 55 S CB -0.089 63.106 63.200 -0.008 0.000 0.800 55 S HN 0.355 nan 8.310 nan 0.000 0.484 56 V N 1.625 121.533 119.914 -0.010 0.000 2.626 56 V HA -0.137 3.982 4.120 -0.000 0.000 0.252 56 V C 2.429 178.516 176.094 -0.011 0.000 1.067 56 V CA 1.462 63.756 62.300 -0.010 0.000 1.081 56 V CB -1.008 30.810 31.823 -0.008 0.000 0.686 56 V HN 0.516 nan 8.190 nan 0.000 0.468 57 A N -0.191 122.622 122.820 -0.011 0.000 1.832 57 A HA -0.187 4.133 4.320 -0.000 0.000 0.214 57 A C 2.332 179.908 177.584 -0.013 0.000 1.200 57 A CA 1.567 53.596 52.037 -0.012 0.000 0.610 57 A CB -0.646 18.346 19.000 -0.014 0.000 0.842 57 A HN 0.377 nan 8.150 nan 0.000 0.444 58 R N -0.238 120.253 120.500 -0.015 0.000 2.208 58 R HA -0.188 4.152 4.340 -0.000 0.000 0.262 58 R C 0.944 177.235 176.300 -0.015 0.000 1.166 58 R CA 1.706 57.796 56.100 -0.016 0.000 0.987 58 R CB -0.323 29.968 30.300 -0.015 0.000 0.887 58 R HN 0.511 nan 8.270 nan 0.000 0.459 59 E N 0.085 120.276 120.200 -0.015 0.000 2.416 59 E HA 0.061 4.411 4.350 -0.000 0.000 0.189 59 E C 0.130 176.721 176.600 -0.015 0.000 1.091 59 E CA 0.187 56.577 56.400 -0.016 0.000 0.889 59 E CB 0.156 29.847 29.700 -0.016 0.000 1.015 59 E HN 0.223 nan 8.360 nan 0.000 0.479 60 I N 1.044 121.606 120.570 -0.013 0.000 2.437 60 I HA 0.306 4.476 4.170 -0.000 0.000 0.298 60 I C 0.147 176.258 176.117 -0.011 0.000 0.984 60 I CA -0.334 60.959 61.300 -0.011 0.000 1.214 60 I CB 1.459 39.453 38.000 -0.009 0.000 1.365 60 I HN -0.017 nan 8.210 nan 0.000 0.469 61 E N 6.550 126.744 120.200 -0.010 0.000 3.397 61 E HA 0.246 4.596 4.350 -0.000 0.000 0.380 61 E C -1.856 174.738 176.600 -0.010 0.000 0.989 61 E CA -0.396 55.998 56.400 -0.009 0.000 0.783 61 E CB 1.009 30.702 29.700 -0.013 0.000 1.334 61 E HN 0.443 nan 8.360 nan 0.000 0.457 62 L N 2.592 123.811 121.223 -0.007 0.000 2.488 62 L HA 0.402 4.742 4.340 -0.000 0.000 0.249 62 L C 1.680 178.540 176.870 -0.017 0.000 1.151 62 L CA -0.438 54.396 54.840 -0.009 0.000 0.806 62 L CB 0.516 42.574 42.059 -0.001 0.000 1.261 62 L HN 0.720 nan 8.230 nan 0.000 0.484 63 E N 0.305 120.492 120.200 -0.021 0.000 2.011 63 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 63 E C 0.438 177.009 176.600 -0.049 0.000 0.980 63 E CA 0.144 56.524 56.400 -0.034 0.000 0.814 63 E CB 0.113 29.794 29.700 -0.032 0.000 0.775 63 E HN 0.699 nan 8.360 nan 0.000 0.454 64 D N 1.320 121.692 120.400 -0.046 0.000 2.518 64 D HA -0.113 4.527 4.640 -0.000 0.000 0.270 64 D C 0.642 176.891 176.300 -0.085 0.000 1.338 64 D CA 0.185 54.141 54.000 -0.074 0.000 0.983 64 D CB 0.549 41.328 40.800 -0.034 0.000 1.126 64 D HN 0.125 nan 8.370 nan 0.000 0.543 65 K N 3.398 123.697 120.400 -0.168 0.000 2.207 65 K HA -0.226 4.094 4.320 -0.000 0.000 0.208 65 K C 1.665 178.249 176.600 -0.026 0.000 1.046 65 K CA 1.317 57.507 56.287 -0.162 0.000 0.929 65 K CB -0.323 32.001 32.500 -0.294 0.000 0.720 65 K HN 0.464 nan 8.250 nan 0.000 0.463 66 F N 1.361 121.298 119.950 -0.021 0.000 2.123 66 F HA -0.005 4.522 4.527 -0.000 0.000 0.289 66 F C 2.455 178.247 175.800 -0.015 0.000 1.099 66 F CA 0.516 58.504 58.000 -0.020 0.000 1.234 66 F CB -1.109 37.877 39.000 -0.025 0.000 1.034 66 F HN 0.071 nan 8.300 nan 0.000 0.479 67 E N 0.332 120.646 120.200 0.190 0.000 2.086 67 E HA -0.356 3.994 4.350 -0.000 0.000 0.205 67 E C 1.889 178.532 176.600 0.071 0.000 1.027 67 E CA 1.891 58.350 56.400 0.098 0.000 0.830 67 E CB -0.696 29.039 29.700 0.059 0.000 0.751 67 E HN 0.411 nan 8.360 nan 0.000 0.456 68 N N 0.542 119.276 118.700 0.058 0.000 2.061 68 N HA -0.201 4.539 4.740 -0.000 0.000 0.193 68 N C 1.922 177.461 175.510 0.048 0.000 1.030 68 N CA 1.644 54.716 53.050 0.037 0.000 0.856 68 N CB -0.067 38.431 38.487 0.019 0.000 1.023 68 N HN 0.091 nan 8.380 nan 0.000 0.424 69 M N -0.427 119.222 119.600 0.082 0.000 2.082 69 M HA -0.145 4.335 4.480 -0.000 0.000 0.258 69 M C 2.194 178.524 176.300 0.048 0.000 1.069 69 M CA 1.906 57.253 55.300 0.079 0.000 1.102 69 M CB -0.824 31.857 32.600 0.135 0.000 1.336 69 M HN 0.430 nan 8.290 nan 0.000 0.404 70 G N -0.243 108.586 108.800 0.047 0.000 2.524 70 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.215 70 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.215 70 G C 1.534 176.445 174.900 0.019 0.000 1.239 70 G CA 1.008 46.123 45.100 0.025 0.000 0.798 70 G HN 0.560 nan 8.290 nan 0.000 0.557 71 A N -0.580 122.252 122.820 0.020 0.000 2.093 71 A HA -0.127 4.193 4.320 -0.000 0.000 0.222 71 A C 2.273 179.861 177.584 0.007 0.000 1.162 71 A CA 2.018 54.062 52.037 0.012 0.000 0.655 71 A CB -0.270 18.737 19.000 0.012 0.000 0.805 71 A HN 0.385 nan 8.150 nan 0.000 0.461 72 Q N -1.424 118.383 119.800 0.011 0.000 2.424 72 Q HA 0.135 4.475 4.340 -0.000 0.000 0.204 72 Q C 1.890 177.889 176.000 -0.001 0.000 0.933 72 Q CA 0.640 56.446 55.803 0.004 0.000 0.929 72 Q CB 0.004 28.748 28.738 0.009 0.000 1.037 72 Q HN 0.831 nan 8.270 nan 0.000 0.511 73 M N -0.830 118.771 119.600 0.001 0.000 2.224 73 M HA -0.081 4.399 4.480 -0.000 0.000 0.253 73 M C 2.218 178.511 176.300 -0.012 0.000 1.115 73 M CA 0.907 56.205 55.300 -0.004 0.000 1.168 73 M CB -0.735 31.866 32.600 0.002 0.000 1.288 73 M HN 0.038 nan 8.290 nan 0.000 0.446 74 V N 1.111 121.022 119.914 -0.005 0.000 2.370 74 V HA -0.335 3.785 4.120 -0.000 0.000 0.252 74 V C 2.194 178.278 176.094 -0.017 0.000 1.068 74 V CA 2.517 64.813 62.300 -0.006 0.000 1.061 74 V CB -0.699 31.125 31.823 0.002 0.000 0.656 74 V HN 0.552 nan 8.190 nan 0.000 0.455 75 K N -0.686 119.705 120.400 -0.016 0.000 2.057 75 K HA -0.218 4.102 4.320 -0.000 0.000 0.207 75 K C 2.322 178.900 176.600 -0.038 0.000 1.049 75 K CA 1.828 58.102 56.287 -0.022 0.000 0.931 75 K CB -0.292 32.198 32.500 -0.016 0.000 0.714 75 K HN 0.576 nan 8.250 nan 0.000 0.440 76 E N 0.427 120.604 120.200 -0.039 0.000 2.208 76 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 76 E C 1.844 178.386 176.600 -0.097 0.000 0.988 76 E CA 0.559 56.925 56.400 -0.056 0.000 0.828 76 E CB 0.176 29.851 29.700 -0.041 0.000 0.763 76 E HN 0.187 nan 8.360 nan 0.000 0.478 77 V N 0.441 120.294 119.914 -0.102 0.000 2.379 77 V HA -0.085 4.035 4.120 -0.000 0.000 0.243 77 V C 2.280 178.231 176.094 -0.239 0.000 1.035 77 V CA 1.580 63.770 62.300 -0.182 0.000 1.035 77 V CB -0.253 31.507 31.823 -0.106 0.000 0.673 77 V HN 0.282 nan 8.190 nan 0.000 0.457 78 A N 0.579 123.330 122.820 -0.114 0.000 1.917 78 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 78 A C 2.520 180.043 177.584 -0.103 0.000 1.182 78 A CA 2.741 54.735 52.037 -0.072 0.000 0.633 78 A CB -1.191 17.794 19.000 -0.026 0.000 0.819 78 A HN 0.913 nan 8.150 nan 0.000 0.448 79 S N -0.234 115.403 115.700 -0.105 0.000 2.462 79 S HA -0.229 4.241 4.470 -0.000 0.000 0.243 79 S C 1.677 176.200 174.600 -0.127 0.000 1.003 79 S CA 1.741 59.886 58.200 -0.092 0.000 0.970 79 S CB -0.419 62.736 63.200 -0.076 0.000 0.762 79 S HN 0.661 nan 8.310 nan 0.000 0.510 80 K N 1.028 121.275 120.400 -0.254 0.000 2.167 80 K HA 0.236 4.556 4.320 -0.000 0.000 0.203 80 K C 2.588 179.106 176.600 -0.137 0.000 1.052 80 K CA 0.822 56.907 56.287 -0.336 0.000 0.956 80 K CB -0.445 31.555 32.500 -0.832 0.000 0.735 80 K HN 0.473 nan 8.250 nan 0.000 0.451 81 A N 1.917 124.710 122.820 -0.044 0.000 1.883 81 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 81 A C 1.923 179.563 177.584 0.093 0.000 1.186 81 A CA 2.085 54.240 52.037 0.197 0.000 0.624 81 A CB -0.810 18.303 19.000 0.189 0.000 0.822 81 A HN 0.299 nan 8.150 nan 0.000 0.444 82 N N 0.040 118.755 118.700 0.025 0.000 2.104 82 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 82 N C 1.241 176.751 175.510 0.000 0.000 1.024 82 N CA 1.734 54.781 53.050 -0.004 0.000 0.853 82 N CB -0.219 38.251 38.487 -0.029 0.000 1.008 82 N HN 0.432 nan 8.380 nan 0.000 0.424 83 D N -0.503 119.899 120.400 0.005 0.000 2.182 83 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 83 D C 1.566 177.898 176.300 0.054 0.000 0.986 83 D CA 1.209 55.218 54.000 0.014 0.000 0.847 83 D CB -0.184 40.612 40.800 -0.008 0.000 0.942 83 D HN 0.437 nan 8.370 nan 0.000 0.467 84 A N 0.891 123.763 122.820 0.087 0.000 1.859 84 A HA 0.311 4.631 4.320 -0.000 0.000 0.212 84 A C 2.140 179.781 177.584 0.094 0.000 1.238 84 A CA 1.367 53.465 52.037 0.102 0.000 0.613 84 A CB -0.753 18.333 19.000 0.144 0.000 0.904 84 A HN 0.201 nan 8.150 nan 0.000 0.457 85 A N -1.704 121.169 122.820 0.088 0.000 1.833 85 A HA 0.398 4.718 4.320 -0.000 0.000 0.215 85 A C 1.840 179.477 177.584 0.088 0.000 1.275 85 A CA 2.209 54.294 52.037 0.079 0.000 0.602 85 A CB -0.881 18.155 19.000 0.060 0.000 0.929 85 A HN 1.648 nan 8.150 nan 0.000 0.462 86 G N -2.322 106.492 108.800 0.023 0.000 4.362 86 G HA2 0.319 4.279 3.960 -0.000 0.000 0.220 86 G HA3 0.319 4.279 3.960 -0.000 0.000 0.220 86 G C -0.376 174.477 174.900 -0.079 0.000 0.795 86 G CA 0.749 45.801 45.100 -0.079 0.000 0.920 86 G HN 0.776 nan 8.290 nan 0.000 0.715 87 D N -2.798 117.589 120.400 -0.022 0.000 2.970 87 D HA 0.523 5.162 4.640 -0.000 0.000 0.344 87 D C 1.189 177.495 176.300 0.010 0.000 1.365 87 D CA 1.063 55.054 54.000 -0.014 0.000 0.910 87 D CB 0.328 41.122 40.800 -0.009 0.000 1.445 87 D HN 1.175 nan 8.370 nan 0.000 0.532 88 G N -1.030 107.777 108.800 0.012 0.000 2.308 88 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.221 88 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.221 88 G C 1.384 176.299 174.900 0.026 0.000 1.032 88 G CA 1.156 46.272 45.100 0.026 0.000 0.623 88 G HN 1.241 nan 8.290 nan 0.000 0.506 89 T N -0.661 113.903 114.554 0.017 0.000 2.649 89 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 89 T C 2.221 176.924 174.700 0.006 0.000 1.036 89 T CA 3.175 65.279 62.100 0.008 0.000 1.157 89 T CB -1.201 67.661 68.868 -0.009 0.000 0.861 89 T HN 0.665 nan 8.240 nan 0.000 0.445 90 T N 1.440 115.996 114.554 0.003 0.000 2.867 90 T HA -0.060 4.290 4.350 -0.000 0.000 0.268 90 T C 2.221 176.925 174.700 0.006 0.000 1.057 90 T CA 1.753 63.854 62.100 0.001 0.000 1.136 90 T CB -0.791 68.076 68.868 -0.001 0.000 0.874 90 T HN 0.652 nan 8.240 nan 0.000 0.466 91 T N 2.090 116.650 114.554 0.011 0.000 2.732 91 T HA 0.097 4.447 4.350 -0.000 0.000 0.261 91 T C 2.504 177.217 174.700 0.022 0.000 1.040 91 T CA 0.915 63.024 62.100 0.015 0.000 1.145 91 T CB -0.719 68.160 68.868 0.018 0.000 0.866 91 T HN 0.401 nan 8.240 nan 0.000 0.427 92 A N 2.038 124.878 122.820 0.033 0.000 1.859 92 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 92 A C 2.562 180.164 177.584 0.030 0.000 1.209 92 A CA 2.637 54.702 52.037 0.046 0.000 0.639 92 A CB -1.699 17.340 19.000 0.066 0.000 0.835 92 A HN 0.482 nan 8.150 nan 0.000 0.450 93 T N -0.818 113.747 114.554 0.019 0.000 2.685 93 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 93 T C 1.813 176.518 174.700 0.010 0.000 1.034 93 T CA 1.838 63.944 62.100 0.010 0.000 1.149 93 T CB -0.687 68.183 68.868 0.003 0.000 0.860 93 T HN 0.422 nan 8.240 nan 0.000 0.449 94 V N 0.414 120.333 119.914 0.009 0.000 2.809 94 V HA 0.052 4.172 4.120 -0.000 0.000 0.256 94 V C 2.007 178.105 176.094 0.007 0.000 1.080 94 V CA 1.160 63.464 62.300 0.005 0.000 1.102 94 V CB -0.469 31.355 31.823 0.002 0.000 0.705 94 V HN 0.475 nan 8.190 nan 0.000 0.475 95 L N 0.029 121.259 121.223 0.013 0.000 2.034 95 L HA 0.057 4.396 4.340 -0.000 0.000 0.203 95 L C 2.876 179.755 176.870 0.015 0.000 1.074 95 L CA 1.490 56.338 54.840 0.014 0.000 0.748 95 L CB -0.916 41.156 42.059 0.021 0.000 0.905 95 L HN 0.386 nan 8.230 nan 0.000 0.439 96 A N -0.466 122.366 122.820 0.020 0.000 1.869 96 A HA -0.357 3.963 4.320 -0.000 0.000 0.218 96 A C 2.218 179.809 177.584 0.013 0.000 1.203 96 A CA 2.273 54.322 52.037 0.020 0.000 0.638 96 A CB -0.940 18.073 19.000 0.022 0.000 0.831 96 A HN 0.517 nan 8.150 nan 0.000 0.450 97 Q N -0.736 119.070 119.800 0.010 0.000 2.118 97 Q HA -0.291 4.049 4.340 -0.000 0.000 0.211 97 Q C 2.292 178.295 176.000 0.006 0.000 0.998 97 Q CA 2.363 58.170 55.803 0.007 0.000 0.872 97 Q CB -0.412 28.329 28.738 0.004 0.000 0.925 97 Q HN 0.655 nan 8.270 nan 0.000 0.414 98 A N 0.573 123.396 122.820 0.005 0.000 1.883 98 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 98 A C 1.995 179.582 177.584 0.005 0.000 1.186 98 A CA 1.677 53.717 52.037 0.004 0.000 0.624 98 A CB -0.697 18.305 19.000 0.003 0.000 0.822 98 A HN 0.476 nan 8.150 nan 0.000 0.444 99 I N -0.305 120.269 120.570 0.007 0.000 2.110 99 I HA -0.240 3.930 4.170 -0.000 0.000 0.236 99 I C 2.333 178.454 176.117 0.006 0.000 1.068 99 I CA 1.447 62.751 61.300 0.007 0.000 1.333 99 I CB -0.573 37.433 38.000 0.010 0.000 1.054 99 I HN 0.267 nan 8.210 nan 0.000 0.402 100 I N 0.903 121.478 120.570 0.007 0.000 2.145 100 I HA -0.326 3.844 4.170 -0.000 0.000 0.244 100 I C 2.599 178.718 176.117 0.004 0.000 1.075 100 I CA 1.925 63.228 61.300 0.006 0.000 1.332 100 I CB -0.981 37.023 38.000 0.006 0.000 1.033 100 I HN 0.329 nan 8.210 nan 0.000 0.410 101 T N -0.135 114.421 114.554 0.004 0.000 2.759 101 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 101 T C 1.772 176.473 174.700 0.002 0.000 1.042 101 T CA 1.219 63.321 62.100 0.003 0.000 1.140 101 T CB -0.141 68.729 68.868 0.002 0.000 0.864 101 T HN 0.312 nan 8.240 nan 0.000 0.455 102 E N 0.304 120.505 120.200 0.002 0.000 2.340 102 E HA 0.148 4.498 4.350 -0.000 0.000 0.194 102 E C 2.394 178.995 176.600 0.002 0.000 0.996 102 E CA 0.396 56.797 56.400 0.002 0.000 0.869 102 E CB -0.398 29.303 29.700 0.002 0.000 0.835 102 E HN 0.530 nan 8.360 nan 0.000 0.493 103 G N 1.764 110.566 108.800 0.002 0.000 2.505 103 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.214 103 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.214 103 G C 1.624 176.524 174.900 0.001 0.000 1.237 103 G CA 0.460 45.562 45.100 0.002 0.000 0.802 103 G HN 0.184 nan 8.290 nan 0.000 0.549 104 L N 0.340 121.564 121.223 0.001 0.000 2.261 104 L HA -0.074 4.266 4.340 -0.000 0.000 0.216 104 L C 2.731 179.601 176.870 0.001 0.000 1.114 104 L CA 1.280 56.120 54.840 0.000 0.000 0.777 104 L CB -0.362 41.697 42.059 -0.000 0.000 0.910 104 L HN 0.247 nan 8.230 nan 0.000 0.440 105 K N 0.255 120.656 120.400 0.001 0.000 2.288 105 K HA -0.082 4.238 4.320 -0.000 0.000 0.201 105 K C 2.084 178.685 176.600 0.001 0.000 1.048 105 K CA 0.939 57.227 56.287 0.001 0.000 0.956 105 K CB 0.106 32.607 32.500 0.001 0.000 0.746 105 K HN 0.300 nan 8.250 nan 0.000 0.461 106 A N 0.163 122.983 122.820 0.001 0.000 1.862 106 A HA -0.013 4.307 4.320 -0.000 0.000 0.211 106 A C 2.099 179.683 177.584 -0.000 0.000 1.220 106 A CA 0.734 52.771 52.037 0.000 0.000 0.616 106 A CB -0.590 18.410 19.000 0.000 0.000 0.878 106 A HN 0.068 nan 8.150 nan 0.000 0.453 107 V N 0.493 120.407 119.914 -0.000 0.000 2.231 107 V HA -0.350 3.769 4.120 -0.000 0.000 0.250 107 V C 2.956 179.050 176.094 -0.001 0.000 1.058 107 V CA 2.321 64.621 62.300 -0.001 0.000 1.022 107 V CB -1.282 30.540 31.823 -0.002 0.000 0.640 107 V HN 0.600 nan 8.190 nan 0.000 0.445 108 A N -0.682 122.138 122.820 0.000 0.000 2.225 108 A HA 0.109 4.429 4.320 -0.000 0.000 0.215 108 A C 2.100 179.685 177.584 0.001 0.000 1.164 108 A CA 1.555 53.593 52.037 0.001 0.000 0.710 108 A CB -0.522 18.479 19.000 0.002 0.000 0.780 108 A HN 0.652 nan 8.150 nan 0.000 0.473 109 A N -2.184 120.636 122.820 0.001 0.000 2.238 109 A HA 0.456 4.776 4.320 -0.000 0.000 0.210 109 A C 1.586 179.170 177.584 -0.000 0.000 1.179 109 A CA 1.146 53.183 52.037 0.001 0.000 0.827 109 A CB -0.282 18.718 19.000 0.001 0.000 0.856 109 A HN 1.666 nan 8.150 nan 0.000 0.488 110 G N -1.866 106.934 108.800 -0.001 0.000 2.183 110 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.168 110 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.168 110 G C 0.063 174.962 174.900 -0.002 0.000 1.008 110 G CA 0.023 45.122 45.100 -0.002 0.000 0.677 110 G HN 0.278 nan 8.290 nan 0.000 0.498 111 M N 0.772 120.370 119.600 -0.002 0.000 2.359 111 M HA 0.379 4.859 4.480 -0.000 0.000 0.322 111 M C 0.513 176.811 176.300 -0.004 0.000 1.166 111 M CA -0.810 54.489 55.300 -0.003 0.000 1.067 111 M CB 0.834 33.433 32.600 -0.002 0.000 1.523 111 M HN 0.140 nan 8.290 nan 0.000 0.467 112 N N 1.692 120.390 118.700 -0.004 0.000 2.475 112 N HA 0.120 4.860 4.740 -0.000 0.000 0.267 112 N C -2.279 173.229 175.510 -0.004 0.000 1.169 112 N CA -1.254 51.793 53.050 -0.005 0.000 0.947 112 N CB 1.310 39.793 38.487 -0.006 0.000 1.061 112 N HN 0.251 nan 8.380 nan 0.000 0.466 113 P HA -0.057 nan 4.420 nan 0.000 0.213 113 P C 1.771 179.069 177.300 -0.004 0.000 1.170 113 P CA 1.175 64.273 63.100 -0.004 0.000 0.893 113 P CB 0.168 31.864 31.700 -0.006 0.000 0.784 114 M N -0.516 119.081 119.600 -0.005 0.000 2.260 114 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 114 M C 1.160 177.459 176.300 -0.003 0.000 1.066 114 M CA 1.688 56.986 55.300 -0.004 0.000 1.082 114 M CB -1.489 31.108 32.600 -0.006 0.000 1.388 114 M HN 0.014 nan 8.290 nan 0.000 0.419 115 D N -0.215 120.183 120.400 -0.003 0.000 2.149 115 D HA 0.033 4.673 4.640 -0.000 0.000 0.206 115 D C 2.238 178.537 176.300 -0.001 0.000 0.967 115 D CA 0.677 54.676 54.000 -0.002 0.000 0.848 115 D CB -0.182 40.617 40.800 -0.003 0.000 0.998 115 D HN 0.302 nan 8.370 nan 0.000 0.474 116 L N 1.066 122.288 121.223 -0.001 0.000 2.089 116 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 116 L C 2.477 179.347 176.870 0.001 0.000 1.079 116 L CA 1.247 56.087 54.840 -0.000 0.000 0.758 116 L CB -0.373 41.686 42.059 -0.000 0.000 0.891 116 L HN 0.040 nan 8.230 nan 0.000 0.433 117 K N 0.287 120.687 120.400 0.001 0.000 2.097 117 K HA -0.204 4.116 4.320 -0.000 0.000 0.205 117 K C 2.298 178.899 176.600 0.002 0.000 1.050 117 K CA 1.125 57.413 56.287 0.002 0.000 0.938 117 K CB 0.067 32.569 32.500 0.003 0.000 0.718 117 K HN 0.133 nan 8.250 nan 0.000 0.442 118 R N -0.210 120.290 120.500 0.001 0.000 2.057 118 R HA -0.043 4.297 4.340 -0.000 0.000 0.229 118 R C 2.370 178.670 176.300 -0.000 0.000 1.136 118 R CA 1.528 57.628 56.100 -0.000 0.000 0.952 118 R CB -0.621 29.679 30.300 -0.001 0.000 0.848 118 R HN 0.372 nan 8.270 nan 0.000 0.430 119 G N 1.186 109.986 108.800 -0.000 0.000 2.505 119 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 119 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 119 G C 1.438 176.338 174.900 0.000 0.000 1.145 119 G CA 1.225 46.324 45.100 -0.000 0.000 0.761 119 G HN 0.286 nan 8.290 nan 0.000 0.571 120 I N 0.670 121.241 120.570 0.001 0.000 2.142 120 I HA -0.131 4.039 4.170 -0.000 0.000 0.240 120 I C 2.255 178.372 176.117 0.000 0.000 1.078 120 I CA 1.346 62.647 61.300 0.002 0.000 1.343 120 I CB -0.187 37.816 38.000 0.004 0.000 1.046 120 I HN 0.088 nan 8.210 nan 0.000 0.405 121 D N 0.525 120.925 120.400 0.000 0.000 2.263 121 D HA -0.185 4.455 4.640 -0.000 0.000 0.208 121 D C 2.009 178.307 176.300 -0.004 0.000 0.971 121 D CA 1.003 55.001 54.000 -0.002 0.000 0.867 121 D CB -0.025 40.774 40.800 -0.001 0.000 0.929 121 D HN 0.346 nan 8.370 nan 0.000 0.492 122 K N 0.834 121.233 120.400 -0.003 0.000 2.005 122 K HA -0.019 4.300 4.320 -0.000 0.000 0.206 122 K C 2.130 178.728 176.600 -0.003 0.000 1.044 122 K CA 0.928 57.213 56.287 -0.003 0.000 0.942 122 K CB -0.021 32.477 32.500 -0.002 0.000 0.727 122 K HN -0.068 nan 8.250 nan 0.000 0.439 123 A N 0.895 123.713 122.820 -0.002 0.000 1.958 123 A HA -0.175 4.145 4.320 -0.000 0.000 0.221 123 A C 2.201 179.783 177.584 -0.003 0.000 1.178 123 A CA 1.957 53.993 52.037 -0.002 0.000 0.642 123 A CB -0.743 18.257 19.000 -0.000 0.000 0.816 123 A HN 0.218 nan 8.150 nan 0.000 0.453 124 V N -0.772 119.139 119.914 -0.005 0.000 2.256 124 V HA -0.187 3.933 4.120 -0.000 0.000 0.240 124 V C 2.663 178.750 176.094 -0.012 0.000 1.036 124 V CA 2.340 64.635 62.300 -0.009 0.000 1.008 124 V CB -1.288 30.528 31.823 -0.011 0.000 0.648 124 V HN 0.603 nan 8.190 nan 0.000 0.453 125 T N 0.630 115.176 114.554 -0.013 0.000 2.792 125 T HA -0.269 4.081 4.350 -0.000 0.000 0.268 125 T C 1.815 176.508 174.700 -0.011 0.000 1.059 125 T CA 1.714 63.806 62.100 -0.014 0.000 1.136 125 T CB -0.416 68.445 68.868 -0.012 0.000 0.846 125 T HN 0.575 nan 8.240 nan 0.000 0.489 126 A N 1.377 124.192 122.820 -0.008 0.000 1.844 126 A HA 0.444 4.764 4.320 -0.000 0.000 0.212 126 A C 2.707 180.289 177.584 -0.004 0.000 1.221 126 A CA 1.248 53.282 52.037 -0.005 0.000 0.607 126 A CB -1.260 17.738 19.000 -0.003 0.000 0.878 126 A HN 0.479 nan 8.150 nan 0.000 0.451 127 A N -0.345 122.473 122.820 -0.004 0.000 2.032 127 A HA -0.037 4.283 4.320 -0.000 0.000 0.221 127 A C 2.104 179.684 177.584 -0.006 0.000 1.165 127 A CA 1.848 53.883 52.037 -0.003 0.000 0.645 127 A CB -0.930 18.069 19.000 -0.002 0.000 0.807 127 A HN 0.442 nan 8.150 nan 0.000 0.453 128 V N -0.318 119.589 119.914 -0.011 0.000 2.490 128 V HA -0.246 3.874 4.120 -0.000 0.000 0.250 128 V C 2.274 178.361 176.094 -0.011 0.000 1.061 128 V CA 2.262 64.552 62.300 -0.016 0.000 1.064 128 V CB -0.715 31.093 31.823 -0.025 0.000 0.670 128 V HN 0.664 nan 8.190 nan 0.000 0.461 129 E N -0.283 119.912 120.200 -0.008 0.000 2.102 129 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 129 E C 2.168 178.767 176.600 -0.001 0.000 0.971 129 E CA 0.553 56.950 56.400 -0.005 0.000 0.821 129 E CB -0.089 29.608 29.700 -0.004 0.000 0.777 129 E HN 0.430 nan 8.360 nan 0.000 0.460 130 E N 0.951 121.151 120.200 0.000 0.000 2.273 130 E HA -0.192 4.158 4.350 -0.000 0.000 0.198 130 E C 1.689 178.293 176.600 0.005 0.000 1.002 130 E CA 0.542 56.945 56.400 0.004 0.000 0.828 130 E CB -0.018 29.685 29.700 0.005 0.000 0.747 130 E HN 0.124 nan 8.360 nan 0.000 0.491 131 L N 0.200 121.425 121.223 0.003 0.000 2.162 131 L HA 0.032 4.372 4.340 -0.000 0.000 0.205 131 L C 1.649 178.522 176.870 0.004 0.000 1.086 131 L CA 1.274 56.117 54.840 0.004 0.000 0.778 131 L CB -0.007 42.052 42.059 0.001 0.000 0.928 131 L HN -0.083 nan 8.230 nan 0.000 0.446 132 K N -0.374 120.027 120.400 0.001 0.000 2.574 132 K HA -0.029 4.291 4.320 -0.000 0.000 0.193 132 K C 1.743 178.346 176.600 0.004 0.000 1.035 132 K CA 0.569 56.857 56.287 0.002 0.000 0.982 132 K CB -0.062 32.438 32.500 -0.001 0.000 0.795 132 K HN 0.442 nan 8.250 nan 0.000 0.491 133 A N 1.423 124.247 122.820 0.006 0.000 1.835 133 A HA -0.061 4.259 4.320 -0.000 0.000 0.213 133 A C 1.977 179.567 177.584 0.011 0.000 1.210 133 A CA 0.649 52.691 52.037 0.008 0.000 0.605 133 A CB -0.479 18.526 19.000 0.009 0.000 0.860 133 A HN 0.109 nan 8.150 nan 0.000 0.447 134 L N 0.504 121.735 121.223 0.013 0.000 2.081 134 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 134 L C 1.536 178.415 176.870 0.015 0.000 1.080 134 L CA 1.167 56.018 54.840 0.017 0.000 0.754 134 L CB -1.260 40.811 42.059 0.021 0.000 0.893 134 L HN 0.423 nan 8.230 nan 0.000 0.433 135 S N 0.431 116.139 115.700 0.012 0.000 2.885 135 S HA 0.000 4.470 4.470 -0.000 0.000 0.334 135 S C -0.106 174.501 174.600 0.011 0.000 1.224 135 S CA -0.283 57.924 58.200 0.011 0.000 1.080 135 S CB -0.064 63.140 63.200 0.008 0.000 0.801 135 S HN 0.071 nan 8.310 nan 0.000 0.510 136 V N 9.748 129.670 119.914 0.012 0.000 2.328 136 V HA 0.313 4.433 4.120 -0.000 0.000 0.278 136 V C -1.668 174.432 176.094 0.010 0.000 1.021 136 V CA -1.741 60.566 62.300 0.012 0.000 0.838 136 V CB 0.839 32.670 31.823 0.014 0.000 0.999 136 V HN 0.770 nan 8.190 nan 0.000 0.447 137 P HA -0.113 nan 4.420 nan 0.000 0.275 137 P C -0.146 177.158 177.300 0.007 0.000 1.227 137 P CA 0.162 63.267 63.100 0.007 0.000 0.808 137 P CB 0.304 32.008 31.700 0.006 0.000 0.858 138 C N 0.922 120.226 119.300 0.006 0.000 3.079 138 C HA 0.286 4.746 4.460 -0.000 0.000 0.246 138 C C 1.205 176.197 174.990 0.004 0.000 1.025 138 C CA 0.020 59.041 59.018 0.006 0.000 1.081 138 C CB -1.381 26.363 27.740 0.007 0.000 1.757 138 C HN 0.551 nan 8.230 nan 0.000 0.646 139 S N 0.598 116.300 115.700 0.003 0.000 2.527 139 S HA 0.080 4.550 4.470 -0.000 0.000 0.227 139 S C 0.374 174.975 174.600 0.001 0.000 1.059 139 S CA 0.201 58.402 58.200 0.002 0.000 0.919 139 S CB 0.043 63.244 63.200 0.002 0.000 0.805 139 S HN 0.920 nan 8.310 nan 0.000 0.500 140 D N 2.294 122.695 120.400 0.002 0.000 2.348 140 D HA 0.088 4.728 4.640 -0.000 0.000 0.253 140 D C 0.676 176.977 176.300 0.001 0.000 1.161 140 D CA -0.010 53.991 54.000 0.001 0.000 0.876 140 D CB 1.127 41.928 40.800 0.002 0.000 1.160 140 D HN 0.153 nan 8.370 nan 0.000 0.459 141 S N 1.727 117.427 115.700 0.000 0.000 2.559 141 S HA -0.250 4.220 4.470 -0.000 0.000 0.250 141 S C 1.355 175.956 174.600 0.001 0.000 0.977 141 S CA 0.742 58.942 58.200 -0.000 0.000 0.958 141 S CB -0.312 62.888 63.200 -0.001 0.000 0.751 141 S HN 0.664 nan 8.310 nan 0.000 0.534 142 K N 1.340 121.741 120.400 0.002 0.000 2.168 142 K HA 0.251 4.571 4.320 -0.000 0.000 0.201 142 K C 2.233 178.835 176.600 0.003 0.000 1.049 142 K CA 0.747 57.035 56.287 0.002 0.000 0.974 142 K CB -0.419 32.083 32.500 0.003 0.000 0.792 142 K HN 0.355 nan 8.250 nan 0.000 0.463 143 A N 1.333 124.155 122.820 0.004 0.000 2.014 143 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 143 A C 1.979 179.566 177.584 0.005 0.000 1.163 143 A CA 0.730 52.770 52.037 0.005 0.000 0.652 143 A CB -0.422 18.582 19.000 0.006 0.000 0.808 143 A HN 0.318 nan 8.150 nan 0.000 0.449 144 I N -0.295 120.278 120.570 0.004 0.000 2.286 144 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 144 I C 2.949 179.069 176.117 0.004 0.000 1.115 144 I CA 0.985 62.288 61.300 0.004 0.000 1.392 144 I CB -0.258 37.743 38.000 0.001 0.000 1.065 144 I HN 0.389 nan 8.210 nan 0.000 0.418 145 A N 0.335 123.158 122.820 0.004 0.000 1.877 145 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 145 A C 2.205 179.793 177.584 0.005 0.000 1.186 145 A CA 1.577 53.616 52.037 0.004 0.000 0.620 145 A CB -0.699 18.303 19.000 0.003 0.000 0.822 145 A HN 0.462 nan 8.150 nan 0.000 0.443 146 Q N -0.492 119.311 119.800 0.006 0.000 2.152 146 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 146 Q C 2.122 178.127 176.000 0.008 0.000 0.985 146 Q CA 1.662 57.468 55.803 0.007 0.000 0.863 146 Q CB -0.469 28.273 28.738 0.007 0.000 0.904 146 Q HN 0.511 nan 8.270 nan 0.000 0.422 147 V N 0.358 120.277 119.914 0.009 0.000 2.229 147 V HA -0.189 3.931 4.120 -0.000 0.000 0.243 147 V C 2.297 178.398 176.094 0.012 0.000 1.042 147 V CA 2.072 64.379 62.300 0.011 0.000 1.000 147 V CB -1.278 30.552 31.823 0.012 0.000 0.637 147 V HN 0.551 nan 8.190 nan 0.000 0.446 148 G N -0.660 108.147 108.800 0.012 0.000 2.503 148 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.221 148 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.221 148 G C 1.651 176.557 174.900 0.011 0.000 1.131 148 G CA 1.780 46.888 45.100 0.013 0.000 0.756 148 G HN 0.483 nan 8.290 nan 0.000 0.572 149 T N 1.001 115.560 114.554 0.009 0.000 2.833 149 T HA 0.001 4.351 4.350 -0.000 0.000 0.269 149 T C 2.296 177.000 174.700 0.007 0.000 1.054 149 T CA 0.898 63.002 62.100 0.007 0.000 1.135 149 T CB -0.097 68.775 68.868 0.006 0.000 0.869 149 T HN 0.328 nan 8.240 nan 0.000 0.466 150 I N 0.623 121.198 120.570 0.009 0.000 2.876 150 I HA 0.005 4.175 4.170 -0.000 0.000 0.264 150 I C 2.139 178.262 176.117 0.010 0.000 1.204 150 I CA 0.525 61.830 61.300 0.008 0.000 1.485 150 I CB -0.075 37.930 38.000 0.008 0.000 1.103 150 I HN 0.105 nan 8.210 nan 0.000 0.446 151 S N 0.840 116.547 115.700 0.013 0.000 2.527 151 S HA 0.142 4.612 4.470 -0.000 0.000 0.222 151 S C 1.666 176.275 174.600 0.015 0.000 0.985 151 S CA 0.744 58.953 58.200 0.016 0.000 0.921 151 S CB 0.129 63.344 63.200 0.024 0.000 0.772 151 S HN 0.480 nan 8.310 nan 0.000 0.529 152 A N 1.334 124.161 122.820 0.012 0.000 2.500 152 A HA 0.447 4.767 4.320 -0.000 0.000 0.267 152 A C 0.555 178.143 177.584 0.007 0.000 1.290 152 A CA -0.378 51.666 52.037 0.010 0.000 0.928 152 A CB -0.399 18.607 19.000 0.010 0.000 1.066 152 A HN 0.367 nan 8.150 nan 0.000 0.516 153 N N -0.216 118.488 118.700 0.006 0.000 2.746 153 N HA -0.208 4.532 4.740 -0.000 0.000 0.250 153 N C 0.217 175.728 175.510 0.002 0.000 1.055 153 N CA 1.036 54.087 53.050 0.003 0.000 0.699 153 N CB -1.857 36.631 38.487 0.002 0.000 0.919 153 N HN 0.515 nan 8.380 nan 0.000 0.548 154 S N -1.535 114.167 115.700 0.003 0.000 3.490 154 S HA -0.236 4.234 4.470 -0.000 0.000 0.301 154 S C -0.336 174.265 174.600 0.002 0.000 1.233 154 S CA 0.858 59.059 58.200 0.002 0.000 0.914 154 S CB -1.024 62.176 63.200 0.000 0.000 1.047 154 S HN 0.774 nan 8.310 nan 0.000 0.602 155 D N 1.380 121.782 120.400 0.003 0.000 2.441 155 D HA 0.215 4.855 4.640 -0.000 0.000 0.221 155 D C 1.126 177.428 176.300 0.004 0.000 1.156 155 D CA -0.258 53.744 54.000 0.003 0.000 0.896 155 D CB 0.485 41.287 40.800 0.004 0.000 1.028 155 D HN 0.478 nan 8.370 nan 0.000 0.509 156 E N 1.342 121.544 120.200 0.003 0.000 2.171 156 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 156 E C 1.513 178.115 176.600 0.003 0.000 0.997 156 E CA 1.270 57.672 56.400 0.003 0.000 0.810 156 E CB 0.152 29.854 29.700 0.002 0.000 0.738 156 E HN 0.498 nan 8.360 nan 0.000 0.467 157 T N 0.981 115.537 114.554 0.002 0.000 2.699 157 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 157 T C 2.098 176.799 174.700 0.003 0.000 1.036 157 T CA 1.414 63.515 62.100 0.002 0.000 1.147 157 T CB -0.290 68.579 68.868 0.002 0.000 0.862 157 T HN 0.002 nan 8.240 nan 0.000 0.446 158 V N 1.477 121.394 119.914 0.004 0.000 2.221 158 V HA -0.086 4.034 4.120 -0.000 0.000 0.242 158 V C 2.932 179.029 176.094 0.004 0.000 1.041 158 V CA 1.979 64.282 62.300 0.005 0.000 0.995 158 V CB -1.630 30.197 31.823 0.007 0.000 0.635 158 V HN 0.569 nan 8.190 nan 0.000 0.448 159 G N 0.060 108.863 108.800 0.005 0.000 2.663 159 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.222 159 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.222 159 G C 1.632 176.533 174.900 0.002 0.000 1.146 159 G CA 1.807 46.910 45.100 0.004 0.000 0.764 159 G HN 0.540 nan 8.290 nan 0.000 0.608 160 K N 0.068 120.469 120.400 0.002 0.000 1.985 160 K HA 0.019 4.339 4.320 -0.000 0.000 0.210 160 K C 2.636 179.235 176.600 -0.001 0.000 1.047 160 K CA 1.195 57.483 56.287 0.000 0.000 0.932 160 K CB -0.387 32.113 32.500 0.000 0.000 0.716 160 K HN 0.348 nan 8.250 nan 0.000 0.439 161 L N 1.136 122.359 121.223 -0.000 0.000 2.034 161 L HA -0.292 4.048 4.340 -0.000 0.000 0.217 161 L C 2.496 179.364 176.870 -0.004 0.000 1.077 161 L CA 1.636 56.475 54.840 -0.002 0.000 0.769 161 L CB -0.409 41.649 42.059 -0.001 0.000 0.890 161 L HN 0.334 nan 8.230 nan 0.000 0.435 162 I N -0.816 119.752 120.570 -0.003 0.000 2.090 162 I HA -0.330 3.840 4.170 -0.000 0.000 0.236 162 I C 2.809 178.923 176.117 -0.006 0.000 1.064 162 I CA 1.278 62.575 61.300 -0.005 0.000 1.324 162 I CB -0.671 37.327 38.000 -0.003 0.000 1.044 162 I HN 0.252 nan 8.210 nan 0.000 0.399 163 A N 0.624 123.442 122.820 -0.004 0.000 1.915 163 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 163 A C 2.181 179.763 177.584 -0.005 0.000 1.198 163 A CA 2.315 54.350 52.037 -0.004 0.000 0.647 163 A CB -0.899 18.101 19.000 -0.002 0.000 0.825 163 A HN 0.549 nan 8.150 nan 0.000 0.456 164 E N -0.641 119.557 120.200 -0.004 0.000 2.153 164 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 164 E C 2.309 178.905 176.600 -0.007 0.000 0.988 164 E CA 0.840 57.237 56.400 -0.005 0.000 0.811 164 E CB -0.273 29.424 29.700 -0.004 0.000 0.746 164 E HN 0.676 nan 8.360 nan 0.000 0.466 165 A N 1.301 124.116 122.820 -0.008 0.000 1.854 165 A HA -0.140 4.180 4.320 -0.000 0.000 0.214 165 A C 2.179 179.755 177.584 -0.013 0.000 1.192 165 A CA 1.118 53.148 52.037 -0.011 0.000 0.611 165 A CB -0.414 18.578 19.000 -0.014 0.000 0.832 165 A HN 0.102 nan 8.150 nan 0.000 0.442 166 M N -0.803 118.789 119.600 -0.013 0.000 2.213 166 M HA -0.165 4.314 4.480 -0.000 0.000 0.263 166 M C 1.371 177.665 176.300 -0.010 0.000 1.062 166 M CA 1.744 57.036 55.300 -0.013 0.000 1.105 166 M CB -0.589 32.004 32.600 -0.012 0.000 1.385 166 M HN 0.369 nan 8.290 nan 0.000 0.417 167 D N 0.272 120.667 120.400 -0.008 0.000 2.378 167 D HA -0.059 4.581 4.640 -0.000 0.000 0.227 167 D C 1.811 178.107 176.300 -0.007 0.000 1.012 167 D CA 0.746 54.742 54.000 -0.006 0.000 0.905 167 D CB 0.310 41.107 40.800 -0.005 0.000 0.895 167 D HN 0.039 nan 8.370 nan 0.000 0.532 168 K N -0.662 119.733 120.400 -0.008 0.000 2.370 168 K HA 0.114 4.434 4.320 -0.000 0.000 0.194 168 K C 0.899 177.494 176.600 -0.009 0.000 1.070 168 K CA 0.455 56.737 56.287 -0.008 0.000 0.998 168 K CB 1.498 33.993 32.500 -0.009 0.000 0.911 168 K HN 0.154 nan 8.250 nan 0.000 0.533 169 V N -3.038 116.869 119.914 -0.011 0.000 3.261 169 V HA 0.438 4.558 4.120 -0.000 0.000 0.330 169 V C 0.257 176.344 176.094 -0.012 0.000 1.461 169 V CA -0.195 62.099 62.300 -0.011 0.000 1.127 169 V CB 0.089 31.903 31.823 -0.014 0.000 1.044 169 V HN 0.217 nan 8.190 nan 0.000 0.499 170 G N 2.527 111.321 108.800 -0.010 0.000 2.750 170 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.686 170 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.686 170 G C 0.251 175.144 174.900 -0.012 0.000 1.395 170 G CA -0.012 45.082 45.100 -0.010 0.000 0.918 170 G HN 0.780 nan 8.290 nan 0.000 0.594 171 K N 0.345 120.739 120.400 -0.011 0.000 2.633 171 K HA -0.026 4.294 4.320 -0.000 0.000 0.193 171 K C 0.633 177.224 176.600 -0.015 0.000 1.033 171 K CA 1.388 57.668 56.287 -0.012 0.000 0.980 171 K CB 0.375 32.869 32.500 -0.009 0.000 0.800 171 K HN 0.519 nan 8.250 nan 0.000 0.493 172 E N 1.081 121.272 120.200 -0.014 0.000 2.624 172 E HA 0.124 4.474 4.350 -0.000 0.000 0.210 172 E C 0.429 177.019 176.600 -0.017 0.000 0.997 172 E CA -0.094 56.297 56.400 -0.014 0.000 0.999 172 E CB 1.175 30.869 29.700 -0.009 0.000 1.040 172 E HN 0.415 nan 8.360 nan 0.000 0.469 173 G N 0.402 109.189 108.800 -0.021 0.000 2.642 173 G HA2 0.438 4.398 3.960 -0.000 0.000 0.291 173 G HA3 0.438 4.398 3.960 -0.000 0.000 0.291 173 G C -0.080 174.801 174.900 -0.032 0.000 1.345 173 G CA -0.435 44.652 45.100 -0.022 0.000 1.043 173 G HN -0.034 nan 8.290 nan 0.000 0.528 174 V N 0.049 119.944 119.914 -0.031 0.000 2.509 174 V HA 0.572 4.692 4.120 -0.000 0.000 0.284 174 V C -0.126 175.943 176.094 -0.043 0.000 1.047 174 V CA -0.356 61.919 62.300 -0.041 0.000 0.952 174 V CB 0.906 32.706 31.823 -0.038 0.000 0.988 174 V HN 0.480 nan 8.190 nan 0.000 0.469 175 I N 3.136 123.673 120.570 -0.054 0.000 2.548 175 I HA 0.504 4.674 4.170 -0.000 0.000 0.287 175 I C -0.377 175.708 176.117 -0.053 0.000 1.103 175 I CA -0.153 61.117 61.300 -0.049 0.000 1.049 175 I CB 2.450 40.419 38.000 -0.052 0.000 1.232 175 I HN 0.612 nan 8.210 nan 0.000 0.429 176 T N 4.637 119.168 114.554 -0.039 0.000 2.908 176 T HA 0.601 4.950 4.350 -0.000 0.000 0.290 176 T C -0.455 174.233 174.700 -0.021 0.000 1.034 176 T CA -0.718 61.362 62.100 -0.032 0.000 1.010 176 T CB 2.479 71.328 68.868 -0.031 0.000 1.068 176 T HN 0.381 nan 8.240 nan 0.000 0.481 177 V N 0.127 120.033 119.914 -0.012 0.000 2.378 177 V HA 0.635 4.755 4.120 -0.000 0.000 0.288 177 V C -0.172 175.920 176.094 -0.002 0.000 1.016 177 V CA -0.827 61.470 62.300 -0.005 0.000 0.840 177 V CB 0.998 32.823 31.823 0.003 0.000 0.994 177 V HN 0.862 nan 8.190 nan 0.000 0.431 178 E N 2.553 122.751 120.200 -0.004 0.000 2.961 178 E HA 0.422 4.772 4.350 -0.000 0.000 0.254 178 E C -0.926 175.674 176.600 -0.000 0.000 1.192 178 E CA -0.929 55.469 56.400 -0.003 0.000 1.069 178 E CB 0.811 30.507 29.700 -0.006 0.000 1.338 178 E HN 0.764 nan 8.360 nan 0.000 0.596 179 D N -0.122 120.278 120.400 -0.001 0.000 2.229 179 D HA 0.281 4.921 4.640 -0.000 0.000 0.249 179 D C -0.147 176.153 176.300 -0.000 0.000 1.027 179 D CA -0.223 53.778 54.000 0.001 0.000 0.923 179 D CB 1.498 42.298 40.800 0.001 0.000 1.174 179 D HN 0.440 nan 8.370 nan 0.000 0.443 180 G N -0.875 107.925 108.800 0.000 0.000 2.539 180 G HA2 0.279 4.239 3.960 -0.000 0.000 0.258 180 G HA3 0.279 4.239 3.960 -0.000 0.000 0.258 180 G C 0.846 175.746 174.900 -0.001 0.000 1.202 180 G CA -0.303 44.797 45.100 -0.000 0.000 0.851 180 G HN 0.449 nan 8.290 nan 0.000 0.556 181 T N -2.674 111.879 114.554 -0.002 0.000 3.069 181 T HA 0.469 4.819 4.350 -0.000 0.000 0.252 181 T C 0.979 175.679 174.700 -0.001 0.000 1.053 181 T CA 0.511 62.610 62.100 -0.002 0.000 0.964 181 T CB 0.320 69.187 68.868 -0.003 0.000 1.005 181 T HN 2.012 nan 8.240 nan 0.000 0.532 182 G N 2.010 110.810 108.800 -0.001 0.000 2.421 182 G HA2 0.301 4.261 3.960 -0.000 0.000 0.360 182 G HA3 0.301 4.261 3.960 -0.000 0.000 0.360 182 G C -0.573 174.327 174.900 -0.000 0.000 1.219 182 G CA -0.620 44.480 45.100 -0.000 0.000 1.257 182 G HN 0.626 nan 8.290 nan 0.000 0.609 183 L N -0.004 121.219 121.223 0.000 0.000 0.611 183 L HA -0.185 4.155 4.340 -0.000 0.000 0.356 183 L C 0.494 177.364 176.870 -0.000 0.000 1.007 183 L CA 2.329 57.169 54.840 0.000 0.000 1.222 183 L CB -0.322 41.737 42.059 0.000 0.000 0.016 183 L HN 1.804 nan 8.230 nan 0.000 0.101 184 Q N 1.527 121.327 119.800 -0.000 0.000 2.667 184 Q HA -0.127 4.213 4.340 -0.000 0.000 0.210 184 Q C -0.597 175.403 176.000 -0.001 0.000 1.417 184 Q CA 1.038 56.841 55.803 -0.001 0.000 0.607 184 Q CB -0.592 28.145 28.738 -0.001 0.000 0.739 184 Q HN 0.593 nan 8.270 nan 0.000 0.315 185 D N 3.329 123.728 120.400 -0.001 0.000 2.455 185 D HA 0.035 4.675 4.640 -0.000 0.000 0.241 185 D C 0.309 176.607 176.300 -0.002 0.000 1.138 185 D CA 0.766 54.765 54.000 -0.001 0.000 0.877 185 D CB 0.715 41.515 40.800 -0.001 0.000 1.187 185 D HN 0.310 nan 8.370 nan 0.000 0.451 186 E N 0.277 120.475 120.200 -0.003 0.000 2.221 186 E HA 0.599 4.949 4.350 -0.000 0.000 0.268 186 E C -0.907 175.691 176.600 -0.005 0.000 0.933 186 E CA -0.990 55.408 56.400 -0.004 0.000 0.809 186 E CB 2.274 31.971 29.700 -0.004 0.000 1.190 186 E HN 0.125 nan 8.360 nan 0.000 0.406 187 L N 2.736 123.955 121.223 -0.005 0.000 2.588 187 L HA 0.416 4.755 4.340 -0.000 0.000 0.263 187 L C -2.205 174.661 176.870 -0.007 0.000 0.935 187 L CA -0.265 54.571 54.840 -0.006 0.000 0.891 187 L CB 1.787 43.842 42.059 -0.006 0.000 1.318 187 L HN 0.604 nan 8.230 nan 0.000 0.409 188 D N 3.497 123.893 120.400 -0.008 0.000 2.622 188 D HA 0.437 5.077 4.640 -0.000 0.000 0.255 188 D C -1.341 174.954 176.300 -0.009 0.000 1.246 188 D CA -0.417 53.579 54.000 -0.008 0.000 0.795 188 D CB 2.077 42.873 40.800 -0.007 0.000 1.369 188 D HN 0.308 nan 8.370 nan 0.000 0.425 189 V N 0.261 120.170 119.914 -0.009 0.000 2.472 189 V HA 0.588 4.708 4.120 -0.000 0.000 0.290 189 V C 0.340 176.429 176.094 -0.009 0.000 1.037 189 V CA -0.647 61.647 62.300 -0.009 0.000 0.908 189 V CB 1.317 33.136 31.823 -0.008 0.000 0.985 189 V HN 0.603 nan 8.190 nan 0.000 0.454 190 V N 1.234 121.142 119.914 -0.010 0.000 2.962 190 V HA 0.649 4.769 4.120 -0.000 0.000 0.313 190 V C -0.320 175.770 176.094 -0.007 0.000 1.099 190 V CA -1.018 61.276 62.300 -0.009 0.000 0.971 190 V CB 2.152 33.968 31.823 -0.011 0.000 1.028 190 V HN 0.713 nan 8.190 nan 0.000 0.430 191 E N 2.490 122.687 120.200 -0.004 0.000 2.341 191 E HA 0.460 4.810 4.350 -0.000 0.000 0.256 191 E C 0.359 176.959 176.600 0.001 0.000 1.125 191 E CA 0.841 57.240 56.400 -0.001 0.000 0.939 191 E CB 0.749 30.450 29.700 0.001 0.000 0.991 191 E HN 1.095 nan 8.360 nan 0.000 0.458 192 G N 1.684 110.486 108.800 0.002 0.000 3.021 192 G HA2 0.754 4.714 3.960 -0.000 0.000 0.290 192 G HA3 0.754 4.714 3.960 -0.000 0.000 0.290 192 G C -0.900 174.009 174.900 0.015 0.000 1.291 192 G CA -0.545 44.557 45.100 0.004 0.000 0.834 192 G HN 0.417 nan 8.290 nan 0.000 0.564 193 M N -0.912 118.697 119.600 0.015 0.000 2.956 193 M HA 0.513 4.993 4.480 -0.000 0.000 0.272 193 M C -2.485 173.814 176.300 -0.000 0.000 1.132 193 M CA -0.617 54.705 55.300 0.038 0.000 0.805 193 M CB 2.326 34.984 32.600 0.097 0.000 1.639 193 M HN 0.642 nan 8.290 nan 0.000 0.520 194 Q N 2.741 122.549 119.800 0.014 0.000 2.280 194 Q HA 0.546 4.885 4.340 -0.000 0.000 0.259 194 Q C -2.258 173.738 176.000 -0.007 0.000 0.964 194 Q CA -0.523 55.215 55.803 -0.109 0.000 0.844 194 Q CB 1.834 30.510 28.738 -0.104 0.000 1.334 194 Q HN 0.581 nan 8.270 nan 0.000 0.423 195 F N -0.017 119.925 119.950 -0.013 0.000 2.579 195 F HA 0.547 5.074 4.527 -0.000 0.000 0.324 195 F C 0.127 175.920 175.800 -0.011 0.000 1.058 195 F CA -1.140 56.855 58.000 -0.009 0.000 0.944 195 F CB 0.966 39.964 39.000 -0.003 0.000 1.245 195 F HN 0.287 nan 8.300 nan 0.000 0.477 196 D N 2.433 122.966 120.400 0.223 0.000 2.982 196 D HA 0.088 4.728 4.640 -0.000 0.000 0.238 196 D C -0.169 176.213 176.300 0.137 0.000 1.168 196 D CA 0.352 54.421 54.000 0.115 0.000 0.947 196 D CB -0.058 40.795 40.800 0.088 0.000 1.147 196 D HN 0.240 nan 8.370 nan 0.000 0.450 197 R N -0.032 120.574 120.500 0.177 0.000 2.670 197 R HA 0.592 4.932 4.340 -0.000 0.000 0.289 197 R C 0.373 176.682 176.300 0.015 0.000 0.965 197 R CA -0.720 55.476 56.100 0.160 0.000 0.899 197 R CB 2.163 32.678 30.300 0.358 0.000 1.173 197 R HN 0.101 nan 8.270 nan 0.000 0.456 198 G N 0.886 109.661 108.800 -0.042 0.000 2.667 198 G HA2 0.452 4.412 3.960 -0.000 0.000 0.310 198 G HA3 0.452 4.412 3.960 -0.000 0.000 0.310 198 G C -0.746 174.110 174.900 -0.074 0.000 1.259 198 G CA -0.568 44.419 45.100 -0.187 0.000 1.019 198 G HN 0.435 nan 8.290 nan 0.000 0.496 199 Y N -0.846 119.476 120.300 0.037 0.000 2.652 199 Y HA 0.262 4.812 4.550 -0.000 0.000 0.344 199 Y C 1.353 177.317 175.900 0.106 0.000 1.254 199 Y CA -1.008 57.125 58.100 0.055 0.000 1.480 199 Y CB 0.186 38.717 38.460 0.118 0.000 1.345 199 Y HN 0.212 nan 8.280 nan 0.000 0.617 200 L N 1.230 122.699 121.223 0.409 0.000 2.240 200 L HA 0.054 4.394 4.340 -0.000 0.000 0.211 200 L C 0.513 177.595 176.870 0.353 0.000 1.106 200 L CA 1.179 56.223 54.840 0.341 0.000 0.793 200 L CB -0.457 41.771 42.059 0.281 0.000 0.927 200 L HN 0.840 nan 8.230 nan 0.000 0.446 201 S N -3.121 112.813 115.700 0.390 0.000 2.537 201 S HA 0.484 4.954 4.470 -0.000 0.000 0.271 201 S C -2.751 171.701 174.600 -0.247 0.000 1.148 201 S CA -1.204 57.044 58.200 0.080 0.000 0.868 201 S CB 2.055 65.282 63.200 0.045 0.000 1.115 201 S HN -0.286 nan 8.310 nan 0.000 0.461 202 P HA 0.202 nan 4.420 nan 0.000 0.317 202 P C 0.269 177.255 177.300 -0.523 0.000 1.427 202 P CA 0.569 63.184 63.100 -0.808 0.000 0.820 202 P CB -0.158 31.071 31.700 -0.785 0.000 1.894 203 Y N -4.523 115.601 120.300 -0.292 0.000 2.843 203 Y HA -0.314 4.236 4.550 -0.000 0.000 0.492 203 Y C 1.965 177.742 175.900 -0.206 0.000 1.055 203 Y CA 1.497 59.437 58.100 -0.266 0.000 2.997 203 Y CB -3.175 35.073 38.460 -0.354 0.000 0.837 203 Y HN 0.081 nan 8.280 nan 0.000 0.553 204 F N 0.479 120.439 119.950 0.017 0.000 2.236 204 F HA -0.125 4.402 4.527 -0.000 0.000 0.302 204 F C 1.497 177.297 175.800 0.001 0.000 1.073 204 F CA 0.975 58.983 58.000 0.013 0.000 1.336 204 F CB -0.759 38.245 39.000 0.007 0.000 1.040 204 F HN -0.009 nan 8.300 nan 0.000 0.507 205 I N 2.488 123.128 120.570 0.117 0.000 2.943 205 I HA -0.222 3.948 4.170 -0.000 0.000 0.296 205 I C 0.757 176.919 176.117 0.076 0.000 1.220 205 I CA 0.527 61.868 61.300 0.068 0.000 1.409 205 I CB -0.115 37.874 38.000 -0.018 0.000 1.374 205 I HN 0.236 nan 8.210 nan 0.000 0.545 206 N N 4.830 123.579 118.700 0.081 0.000 2.184 206 N HA 0.070 4.810 4.740 -0.000 0.000 0.206 206 N C -0.018 175.522 175.510 0.050 0.000 1.151 206 N CA -0.135 52.954 53.050 0.065 0.000 0.878 206 N CB 0.481 39.009 38.487 0.068 0.000 1.014 206 N HN 0.484 nan 8.380 nan 0.000 0.512 207 K N 1.157 121.587 120.400 0.051 0.000 2.842 207 K HA 0.246 4.566 4.320 -0.000 0.000 0.176 207 K C -2.149 174.475 176.600 0.040 0.000 1.080 207 K CA -1.562 54.750 56.287 0.042 0.000 0.954 207 K CB 1.881 34.406 32.500 0.041 0.000 1.203 207 K HN 0.001 nan 8.250 nan 0.000 0.611 208 P HA -0.172 nan 4.420 nan 0.000 0.231 208 P C 0.211 177.524 177.300 0.021 0.000 1.154 208 P CA 1.092 64.206 63.100 0.024 0.000 0.762 208 P CB 0.506 32.217 31.700 0.018 0.000 0.790 209 E N -0.145 120.068 120.200 0.023 0.000 2.021 209 E HA -0.074 4.276 4.350 -0.000 0.000 0.189 209 E C 2.060 178.670 176.600 0.017 0.000 0.980 209 E CA 1.699 58.109 56.400 0.017 0.000 0.803 209 E CB -0.913 28.797 29.700 0.017 0.000 0.766 209 E HN 0.201 nan 8.360 nan 0.000 0.449 210 T N -1.283 113.287 114.554 0.027 0.000 2.942 210 T HA 0.112 4.462 4.350 -0.000 0.000 0.265 210 T C 1.360 176.086 174.700 0.043 0.000 1.062 210 T CA 0.898 63.017 62.100 0.031 0.000 1.139 210 T CB 0.018 68.911 68.868 0.042 0.000 0.883 210 T HN 0.418 nan 8.240 nan 0.000 0.468 211 G N 1.083 109.916 108.800 0.056 0.000 2.130 211 G HA2 0.108 4.068 3.960 -0.000 0.000 0.216 211 G HA3 0.108 4.068 3.960 -0.000 0.000 0.216 211 G C 0.036 175.025 174.900 0.149 0.000 0.999 211 G CA -0.056 45.093 45.100 0.081 0.000 0.686 211 G HN 0.911 nan 8.290 nan 0.000 0.515 212 A N -1.534 121.363 122.820 0.128 0.000 2.486 212 A HA 0.989 5.309 4.320 -0.000 0.000 0.277 212 A C -0.262 177.403 177.584 0.136 0.000 1.282 212 A CA -0.137 52.002 52.037 0.170 0.000 0.784 212 A CB 1.628 20.695 19.000 0.111 0.000 1.350 212 A HN 1.244 nan 8.150 nan 0.000 0.454 213 V N 0.233 120.231 119.914 0.140 0.000 2.769 213 V HA 0.668 4.788 4.120 -0.000 0.000 0.312 213 V C -0.291 175.841 176.094 0.063 0.000 1.058 213 V CA -0.421 61.944 62.300 0.107 0.000 0.952 213 V CB 1.627 33.526 31.823 0.126 0.000 1.019 213 V HN 0.910 nan 8.190 nan 0.000 0.445 214 E N 2.765 122.995 120.200 0.050 0.000 2.287 214 E HA 0.612 4.962 4.350 -0.000 0.000 0.274 214 E C -2.030 174.585 176.600 0.024 0.000 0.896 214 E CA -0.537 55.880 56.400 0.028 0.000 0.788 214 E CB 1.687 31.403 29.700 0.025 0.000 1.244 214 E HN 0.623 nan 8.360 nan 0.000 0.408 215 L N 3.408 124.637 121.223 0.010 0.000 2.381 215 L HA 0.522 4.862 4.340 -0.000 0.000 0.274 215 L C -0.447 176.416 176.870 -0.011 0.000 0.988 215 L CA -0.876 53.968 54.840 0.007 0.000 0.824 215 L CB 2.015 44.079 42.059 0.008 0.000 1.263 215 L HN 0.481 nan 8.230 nan 0.000 0.410 216 E N 1.493 121.684 120.200 -0.015 0.000 2.156 216 E HA 0.307 4.657 4.350 -0.000 0.000 0.279 216 E C -0.170 176.395 176.600 -0.059 0.000 0.965 216 E CA -0.545 55.837 56.400 -0.031 0.000 0.789 216 E CB 1.576 31.263 29.700 -0.021 0.000 1.098 216 E HN 0.633 nan 8.360 nan 0.000 0.397 217 S N 1.713 117.365 115.700 -0.081 0.000 3.614 217 S HA -0.123 4.347 4.470 -0.000 0.000 0.360 217 S C -2.031 172.439 174.600 -0.217 0.000 1.023 217 S CA 0.406 58.522 58.200 -0.140 0.000 1.114 217 S CB -1.344 61.778 63.200 -0.131 0.000 0.907 217 S HN 0.517 nan 8.310 nan 0.000 0.470 218 P HA 0.551 nan 4.420 nan 0.000 0.279 218 P C -0.120 177.049 177.300 -0.219 0.000 1.276 218 P CA -0.595 62.417 63.100 -0.148 0.000 0.801 218 P CB 0.539 32.220 31.700 -0.031 0.000 1.127 219 F N -0.563 119.394 119.950 0.011 0.000 2.432 219 F HA 0.480 5.007 4.527 -0.000 0.000 0.329 219 F C 0.729 176.536 175.800 0.012 0.000 1.076 219 F CA -0.466 57.541 58.000 0.012 0.000 1.018 219 F CB 0.922 39.929 39.000 0.012 0.000 1.201 219 F HN 0.046 nan 8.300 nan 0.000 0.489 220 I N 3.118 123.831 120.570 0.239 0.000 2.569 220 I HA 0.390 4.560 4.170 -0.000 0.000 0.296 220 I C -1.433 174.747 176.117 0.105 0.000 1.028 220 I CA -1.120 60.260 61.300 0.134 0.000 1.082 220 I CB 2.088 40.148 38.000 0.100 0.000 1.264 220 I HN 0.231 nan 8.210 nan 0.000 0.429 221 L N 6.859 128.125 121.223 0.070 0.000 2.298 221 L HA 0.520 4.860 4.340 -0.000 0.000 0.284 221 L C -1.076 175.813 176.870 0.032 0.000 1.013 221 L CA -0.191 54.675 54.840 0.043 0.000 0.824 221 L CB 0.961 43.039 42.059 0.031 0.000 1.221 221 L HN 0.474 nan 8.230 nan 0.000 0.418 222 L N 6.140 127.377 121.223 0.023 0.000 2.301 222 L HA 0.791 5.131 4.340 -0.000 0.000 0.278 222 L C -0.262 176.610 176.870 0.003 0.000 1.022 222 L CA -0.418 54.429 54.840 0.010 0.000 0.854 222 L CB 1.141 43.205 42.059 0.009 0.000 1.226 222 L HN 0.777 nan 8.230 nan 0.000 0.429 223 A N 1.832 124.653 122.820 0.001 0.000 2.381 223 A HA 0.448 4.768 4.320 -0.000 0.000 0.299 223 A C -1.065 176.518 177.584 -0.002 0.000 1.049 223 A CA -0.586 51.451 52.037 0.001 0.000 0.715 223 A CB 1.481 20.484 19.000 0.005 0.000 1.222 223 A HN 0.635 nan 8.150 nan 0.000 0.428 224 D N 2.485 122.883 120.400 -0.004 0.000 2.422 224 D HA 0.489 5.129 4.640 -0.000 0.000 0.227 224 D C -0.057 176.245 176.300 0.003 0.000 1.190 224 D CA 0.400 54.398 54.000 -0.004 0.000 0.905 224 D CB -0.278 40.518 40.800 -0.007 0.000 1.034 224 D HN 0.706 nan 8.370 nan 0.000 0.507 225 K N 0.745 121.150 120.400 0.008 0.000 3.663 225 K HA 0.129 4.449 4.320 -0.000 0.000 0.413 225 K C -1.410 175.200 176.600 0.018 0.000 1.089 225 K CA -1.128 55.167 56.287 0.013 0.000 0.860 225 K CB 0.245 32.752 32.500 0.011 0.000 1.492 225 K HN 0.028 nan 8.250 nan 0.000 0.517 226 K N 0.845 121.258 120.400 0.021 0.000 2.098 226 K HA 0.519 4.839 4.320 -0.000 0.000 0.261 226 K C -0.507 176.108 176.600 0.025 0.000 0.987 226 K CA -0.640 55.662 56.287 0.025 0.000 0.916 226 K CB 0.901 33.417 32.500 0.026 0.000 1.039 226 K HN 0.377 nan 8.250 nan 0.000 0.455 227 I N 1.648 122.236 120.570 0.030 0.000 2.439 227 I HA 0.099 4.269 4.170 -0.000 0.000 0.283 227 I C 0.155 176.293 176.117 0.035 0.000 1.023 227 I CA -0.107 61.212 61.300 0.031 0.000 1.100 227 I CB 1.924 39.944 38.000 0.033 0.000 1.238 227 I HN 0.626 nan 8.210 nan 0.000 0.445 228 S N 2.827 118.544 115.700 0.029 0.000 2.807 228 S HA 0.171 4.641 4.470 -0.000 0.000 0.247 228 S C 0.722 175.338 174.600 0.026 0.000 1.078 228 S CA -0.125 58.093 58.200 0.030 0.000 0.867 228 S CB 0.283 63.499 63.200 0.025 0.000 0.797 228 S HN 0.575 nan 8.310 nan 0.000 0.515 229 N N 2.940 121.653 118.700 0.022 0.000 2.402 229 N HA 0.181 4.921 4.740 -0.000 0.000 0.259 229 N C 0.690 176.211 175.510 0.019 0.000 1.167 229 N CA 0.024 53.085 53.050 0.018 0.000 0.949 229 N CB 0.808 39.303 38.487 0.014 0.000 1.212 229 N HN 0.340 nan 8.380 nan 0.000 0.493 230 I N 3.220 123.803 120.570 0.021 0.000 2.399 230 I HA -0.302 3.868 4.170 -0.000 0.000 0.254 230 I C 1.903 178.030 176.117 0.016 0.000 1.146 230 I CA 1.201 62.514 61.300 0.022 0.000 1.412 230 I CB 0.203 38.217 38.000 0.022 0.000 1.076 230 I HN 0.430 nan 8.210 nan 0.000 0.432 231 R N 0.817 121.324 120.500 0.012 0.000 2.119 231 R HA -0.242 4.097 4.340 -0.000 0.000 0.246 231 R C 1.943 178.247 176.300 0.007 0.000 1.146 231 R CA 2.163 58.268 56.100 0.008 0.000 0.962 231 R CB -0.475 29.829 30.300 0.007 0.000 0.863 231 R HN 0.576 nan 8.270 nan 0.000 0.442 232 E N -0.183 120.022 120.200 0.009 0.000 2.265 232 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 232 E C 1.910 178.513 176.600 0.005 0.000 0.996 232 E CA 0.844 57.248 56.400 0.006 0.000 0.832 232 E CB 0.027 29.733 29.700 0.009 0.000 0.756 232 E HN 0.272 nan 8.360 nan 0.000 0.491 233 M N 0.217 119.823 119.600 0.009 0.000 2.134 233 M HA -0.051 4.429 4.480 -0.000 0.000 0.262 233 M C 2.401 178.702 176.300 0.001 0.000 1.076 233 M CA 1.090 56.395 55.300 0.008 0.000 1.143 233 M CB -1.024 31.587 32.600 0.018 0.000 1.346 233 M HN 0.142 nan 8.290 nan 0.000 0.421 234 L N 0.632 121.857 121.223 0.003 0.000 2.095 234 L HA -0.280 4.060 4.340 -0.000 0.000 0.229 234 L C -0.429 176.436 176.870 -0.010 0.000 1.097 234 L CA 2.058 56.897 54.840 -0.001 0.000 0.813 234 L CB -2.845 39.214 42.059 0.000 0.000 0.907 234 L HN 0.217 nan 8.230 nan 0.000 0.445 235 P HA -0.112 nan 4.420 nan 0.000 0.226 235 P C 1.379 178.660 177.300 -0.032 0.000 1.146 235 P CA 1.374 64.462 63.100 -0.019 0.000 0.773 235 P CB 0.201 31.892 31.700 -0.016 0.000 0.772 236 V N -1.326 118.568 119.914 -0.033 0.000 3.359 236 V HA 0.068 4.188 4.120 -0.000 0.000 0.245 236 V C 2.458 178.522 176.094 -0.051 0.000 1.247 236 V CA 0.237 62.505 62.300 -0.054 0.000 1.145 236 V CB -0.521 31.273 31.823 -0.049 0.000 0.906 236 V HN -0.044 nan 8.190 nan 0.000 0.464 237 L N 0.287 121.497 121.223 -0.023 0.000 2.362 237 L HA -0.077 4.262 4.340 -0.000 0.000 0.219 237 L C 2.237 179.101 176.870 -0.010 0.000 1.134 237 L CA 1.486 56.321 54.840 -0.008 0.000 0.807 237 L CB -0.187 41.878 42.059 0.010 0.000 0.927 237 L HN 0.470 nan 8.230 nan 0.000 0.447 238 E N -0.474 119.714 120.200 -0.020 0.000 2.251 238 E HA 0.036 4.386 4.350 -0.000 0.000 0.194 238 E C 2.131 178.712 176.600 -0.031 0.000 0.964 238 E CA 0.624 57.014 56.400 -0.017 0.000 0.868 238 E CB 0.132 29.824 29.700 -0.013 0.000 0.828 238 E HN 0.389 nan 8.360 nan 0.000 0.481 239 A N 0.964 123.750 122.820 -0.057 0.000 2.168 239 A HA -0.020 4.300 4.320 -0.000 0.000 0.215 239 A C 1.987 179.498 177.584 -0.122 0.000 1.152 239 A CA 0.653 52.639 52.037 -0.085 0.000 0.716 239 A CB 0.091 19.025 19.000 -0.109 0.000 0.794 239 A HN 0.079 nan 8.150 nan 0.000 0.465 240 V N -1.254 118.600 119.914 -0.100 0.000 3.621 240 V HA 0.141 4.261 4.120 -0.000 0.000 0.285 240 V C 2.322 178.426 176.094 0.018 0.000 1.346 240 V CA 0.828 63.080 62.300 -0.081 0.000 1.104 240 V CB 0.035 31.814 31.823 -0.074 0.000 0.913 240 V HN 0.533 nan 8.190 nan 0.000 0.432 241 A N -0.273 122.553 122.820 0.010 0.000 1.975 241 A HA 0.078 4.398 4.320 -0.000 0.000 0.215 241 A C 1.449 179.055 177.584 0.037 0.000 1.170 241 A CA 0.718 52.773 52.037 0.029 0.000 0.656 241 A CB 0.018 19.028 19.000 0.017 0.000 0.821 241 A HN 0.453 nan 8.150 nan 0.000 0.449 242 K N -2.136 118.279 120.400 0.025 0.000 2.118 242 K HA 0.424 4.744 4.320 -0.000 0.000 0.240 242 K C 1.081 177.724 176.600 0.072 0.000 1.035 242 K CA 0.309 56.617 56.287 0.034 0.000 0.899 242 K CB 0.293 32.802 32.500 0.015 0.000 1.085 242 K HN 0.604 nan 8.250 nan 0.000 0.498 243 A N 0.302 123.170 122.820 0.081 0.000 4.115 243 A HA -0.243 4.077 4.320 -0.000 0.000 0.268 243 A C 1.209 178.868 177.584 0.124 0.000 0.917 243 A CA 1.820 53.933 52.037 0.126 0.000 1.090 243 A CB -2.441 16.695 19.000 0.227 0.000 1.067 243 A HN 1.393 nan 8.150 nan 0.000 0.828 244 G N -1.236 107.627 108.800 0.105 0.000 2.321 244 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.287 244 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.287 244 G C -0.015 174.942 174.900 0.095 0.000 1.018 244 G CA 1.514 46.666 45.100 0.085 0.000 0.855 244 G HN 1.164 nan 8.290 nan 0.000 0.507 245 K N 0.737 121.232 120.400 0.157 0.000 2.164 245 K HA 0.513 4.833 4.320 -0.000 0.000 0.258 245 K C -2.001 174.703 176.600 0.174 0.000 0.951 245 K CA -1.994 54.369 56.287 0.126 0.000 0.844 245 K CB 2.337 34.863 32.500 0.044 0.000 1.099 245 K HN 0.068 nan 8.250 nan 0.000 0.435 246 P HA 0.111 nan 4.420 nan 0.000 0.274 246 P C -1.114 176.280 177.300 0.156 0.000 1.260 246 P CA -0.518 62.648 63.100 0.111 0.000 0.793 246 P CB 0.638 32.379 31.700 0.068 0.000 1.048 247 L N 0.319 121.617 121.223 0.126 0.000 2.401 247 L HA 0.556 4.896 4.340 -0.000 0.000 0.266 247 L C -1.405 175.505 176.870 0.066 0.000 0.991 247 L CA -1.030 53.889 54.840 0.132 0.000 0.818 247 L CB 1.675 43.806 42.059 0.120 0.000 1.321 247 L HN 0.174 nan 8.230 nan 0.000 0.413 248 L N 5.224 126.487 121.223 0.066 0.000 2.322 248 L HA 0.663 5.002 4.340 -0.000 0.000 0.281 248 L C -1.204 175.683 176.870 0.028 0.000 1.014 248 L CA -0.222 54.632 54.840 0.022 0.000 0.815 248 L CB 1.419 43.499 42.059 0.034 0.000 1.247 248 L HN 0.429 nan 8.230 nan 0.000 0.421 249 I N 6.811 127.379 120.570 -0.003 0.000 2.362 249 I HA 0.383 4.553 4.170 -0.000 0.000 0.289 249 I C -0.394 175.738 176.117 0.024 0.000 0.994 249 I CA -0.288 61.020 61.300 0.012 0.000 1.158 249 I CB 1.244 39.248 38.000 0.005 0.000 1.315 249 I HN 0.535 nan 8.210 nan 0.000 0.451 250 I N 5.699 126.288 120.570 0.033 0.000 2.439 250 I HA 0.683 4.853 4.170 -0.000 0.000 0.283 250 I C -0.037 176.085 176.117 0.007 0.000 1.023 250 I CA -0.237 61.080 61.300 0.028 0.000 1.100 250 I CB 1.802 39.819 38.000 0.028 0.000 1.238 250 I HN 0.714 nan 8.210 nan 0.000 0.445 251 A N 4.343 127.168 122.820 0.008 0.000 2.568 251 A HA 0.424 4.744 4.320 -0.000 0.000 0.291 251 A C 0.604 178.193 177.584 0.009 0.000 1.159 251 A CA -0.537 51.503 52.037 0.006 0.000 0.679 251 A CB 1.376 20.386 19.000 0.016 0.000 1.285 251 A HN 0.710 nan 8.150 nan 0.000 0.428 252 E N -0.587 119.620 120.200 0.011 0.000 2.147 252 E HA -0.144 4.205 4.350 -0.000 0.000 0.199 252 E C 0.105 176.723 176.600 0.030 0.000 1.005 252 E CA 2.109 58.521 56.400 0.020 0.000 0.810 252 E CB 0.073 29.786 29.700 0.023 0.000 0.736 252 E HN 0.634 nan 8.360 nan 0.000 0.460 253 D N -3.079 117.341 120.400 0.033 0.000 2.940 253 D HA 0.114 4.754 4.640 -0.000 0.000 0.304 253 D C -2.079 174.250 176.300 0.048 0.000 1.255 253 D CA -0.381 53.646 54.000 0.044 0.000 0.734 253 D CB 1.041 41.867 40.800 0.043 0.000 1.261 253 D HN -0.134 nan 8.370 nan 0.000 0.436 254 V N 1.537 121.487 119.914 0.061 0.000 2.567 254 V HA 0.428 4.547 4.120 -0.000 0.000 0.298 254 V C -0.544 175.592 176.094 0.071 0.000 1.047 254 V CA -0.684 61.657 62.300 0.067 0.000 0.880 254 V CB 1.597 33.471 31.823 0.085 0.000 1.009 254 V HN 0.442 nan 8.190 nan 0.000 0.429 255 E N 2.404 122.638 120.200 0.057 0.000 2.250 255 E HA 0.464 4.814 4.350 -0.000 0.000 0.269 255 E C 1.416 178.047 176.600 0.051 0.000 1.018 255 E CA -0.137 56.294 56.400 0.052 0.000 0.873 255 E CB 1.654 31.378 29.700 0.040 0.000 1.134 255 E HN 0.775 nan 8.360 nan 0.000 0.403 256 G N 1.684 110.511 108.800 0.046 0.000 3.437 256 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.238 256 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.238 256 G C 1.218 176.139 174.900 0.035 0.000 1.054 256 G CA 1.666 46.790 45.100 0.040 0.000 0.704 256 G HN 0.543 nan 8.290 nan 0.000 0.713 257 E N 0.714 120.934 120.200 0.034 0.000 2.002 257 E HA 0.134 4.484 4.350 -0.000 0.000 0.196 257 E C 2.941 179.563 176.600 0.035 0.000 0.974 257 E CA 0.948 57.365 56.400 0.029 0.000 0.853 257 E CB -0.865 28.850 29.700 0.025 0.000 0.808 257 E HN 0.332 nan 8.360 nan 0.000 0.492 258 A N 1.009 123.853 122.820 0.041 0.000 2.234 258 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 258 A C 2.075 179.702 177.584 0.072 0.000 1.167 258 A CA 1.162 53.229 52.037 0.050 0.000 0.698 258 A CB -0.476 18.553 19.000 0.048 0.000 0.779 258 A HN 0.328 nan 8.150 nan 0.000 0.475 259 L N -0.589 120.680 121.223 0.076 0.000 2.013 259 L HA 0.202 4.542 4.340 -0.000 0.000 0.204 259 L C 2.510 179.426 176.870 0.077 0.000 1.081 259 L CA 2.118 57.022 54.840 0.107 0.000 0.751 259 L CB -1.002 41.120 42.059 0.104 0.000 0.901 259 L HN 0.225 nan 8.230 nan 0.000 0.440 260 A N -1.676 121.170 122.820 0.043 0.000 2.234 260 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 260 A C 2.048 179.629 177.584 -0.005 0.000 1.167 260 A CA 1.859 53.901 52.037 0.007 0.000 0.698 260 A CB -1.067 17.936 19.000 0.005 0.000 0.779 260 A HN 0.601 nan 8.150 nan 0.000 0.475 261 T N -0.097 114.469 114.554 0.020 0.000 2.814 261 T HA 0.053 4.403 4.350 -0.000 0.000 0.254 261 T C 1.756 176.472 174.700 0.025 0.000 1.037 261 T CA 1.169 63.280 62.100 0.018 0.000 1.143 261 T CB -0.238 68.648 68.868 0.030 0.000 0.866 261 T HN 0.413 nan 8.240 nan 0.000 0.431 262 L N 1.108 122.372 121.223 0.068 0.000 2.156 262 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 262 L C 2.528 179.430 176.870 0.054 0.000 1.095 262 L CA 0.599 55.507 54.840 0.113 0.000 0.770 262 L CB -0.722 41.471 42.059 0.222 0.000 0.914 262 L HN 0.113 nan 8.230 nan 0.000 0.439 263 V N -0.429 119.457 119.914 -0.045 0.000 2.688 263 V HA -0.210 3.910 4.120 -0.000 0.000 0.256 263 V C 2.137 178.104 176.094 -0.212 0.000 1.084 263 V CA 1.299 63.448 62.300 -0.252 0.000 1.103 263 V CB -0.182 31.513 31.823 -0.214 0.000 0.688 263 V HN 0.267 nan 8.190 nan 0.000 0.480 264 V N -1.005 118.837 119.914 -0.120 0.000 3.048 264 V HA -0.015 4.105 4.120 -0.000 0.000 0.241 264 V C 1.916 177.972 176.094 -0.062 0.000 1.129 264 V CA 1.109 63.340 62.300 -0.114 0.000 1.128 264 V CB -0.481 31.286 31.823 -0.093 0.000 0.849 264 V HN 0.495 nan 8.190 nan 0.000 0.475 265 N N 0.989 119.676 118.700 -0.022 0.000 2.084 265 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 265 N C 1.774 177.293 175.510 0.016 0.000 1.030 265 N CA 1.920 54.972 53.050 0.003 0.000 0.849 265 N CB -0.052 38.450 38.487 0.025 0.000 1.012 265 N HN 0.590 nan 8.380 nan 0.000 0.423 266 T N -1.674 112.903 114.554 0.039 0.000 3.194 266 T HA 0.070 4.420 4.350 -0.000 0.000 0.251 266 T C 1.405 176.120 174.700 0.025 0.000 1.132 266 T CA 0.127 62.264 62.100 0.062 0.000 1.028 266 T CB 0.106 69.058 68.868 0.140 0.000 0.976 266 T HN 0.033 nan 8.240 nan 0.000 0.535 267 M N 0.660 120.246 119.600 -0.024 0.000 2.466 267 M HA 0.392 4.872 4.480 -0.000 0.000 0.265 267 M C 2.152 178.429 176.300 -0.039 0.000 1.122 267 M CA 1.045 56.310 55.300 -0.059 0.000 1.157 267 M CB 0.106 32.627 32.600 -0.132 0.000 1.352 267 M HN 0.062 nan 8.290 nan 0.000 0.464 268 R N -0.547 119.936 120.500 -0.029 0.000 2.297 268 R HA 0.295 4.635 4.340 -0.000 0.000 0.197 268 R C 0.875 177.173 176.300 -0.003 0.000 0.943 268 R CA 0.711 56.800 56.100 -0.019 0.000 1.038 268 R CB 0.090 30.379 30.300 -0.019 0.000 0.957 268 R HN 0.598 nan 8.270 nan 0.000 0.484 269 G N 1.136 109.940 108.800 0.007 0.000 2.148 269 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.203 269 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.203 269 G C 0.115 175.029 174.900 0.023 0.000 0.993 269 G CA -0.529 44.582 45.100 0.018 0.000 0.661 269 G HN 0.209 nan 8.290 nan 0.000 0.518 270 I N 1.893 122.476 120.570 0.022 0.000 2.256 270 I HA 0.385 4.555 4.170 -0.000 0.000 0.294 270 I C 0.825 176.966 176.117 0.039 0.000 1.127 270 I CA -0.781 60.534 61.300 0.025 0.000 1.247 270 I CB 0.634 38.645 38.000 0.017 0.000 1.460 270 I HN 0.098 nan 8.210 nan 0.000 0.511 271 V N 4.695 124.636 119.914 0.046 0.000 3.814 271 V HA -0.241 3.879 4.120 -0.000 0.000 0.480 271 V C 0.195 176.335 176.094 0.077 0.000 0.682 271 V CA 0.430 62.766 62.300 0.060 0.000 1.959 271 V CB -1.513 30.344 31.823 0.057 0.000 2.372 271 V HN 0.759 nan 8.190 nan 0.000 0.501 272 K N 3.955 124.405 120.400 0.083 0.000 2.368 272 K HA 0.689 5.009 4.320 -0.000 0.000 0.282 272 K C -0.166 176.503 176.600 0.115 0.000 1.035 272 K CA -0.115 56.236 56.287 0.106 0.000 0.973 272 K CB 1.324 33.880 32.500 0.095 0.000 0.957 272 K HN 0.528 nan 8.250 nan 0.000 0.474 273 V N 0.625 120.632 119.914 0.156 0.000 3.159 273 V HA 0.866 4.986 4.120 -0.000 0.000 0.308 273 V C -1.164 174.959 176.094 0.048 0.000 1.190 273 V CA -1.056 61.309 62.300 0.108 0.000 1.037 273 V CB 2.251 34.141 31.823 0.112 0.000 1.060 273 V HN 0.823 nan 8.190 nan 0.000 0.437 274 A N 1.305 123.995 122.820 -0.217 0.000 2.594 274 A HA 1.039 5.359 4.320 -0.000 0.000 0.295 274 A C -0.911 176.373 177.584 -0.499 0.000 1.071 274 A CA -0.046 51.500 52.037 -0.819 0.000 0.685 274 A CB 1.959 20.601 19.000 -0.597 0.000 1.285 274 A HN 1.958 nan 8.150 nan 0.000 0.405 275 A N 0.159 122.624 122.820 -0.592 0.000 2.498 275 A HA 0.935 5.255 4.320 -0.000 0.000 0.298 275 A C -0.656 176.879 177.584 -0.082 0.000 1.075 275 A CA -0.093 51.831 52.037 -0.189 0.000 0.714 275 A CB 1.571 20.537 19.000 -0.058 0.000 1.299 275 A HN 2.373 nan 8.150 nan 0.000 0.407 276 V N -1.417 118.508 119.914 0.018 0.000 3.048 276 V HA 0.556 4.676 4.120 -0.000 0.000 0.303 276 V C -0.625 175.524 176.094 0.090 0.000 1.214 276 V CA -1.331 61.018 62.300 0.083 0.000 0.984 276 V CB 1.337 33.238 31.823 0.131 0.000 1.054 276 V HN 0.908 nan 8.190 nan 0.000 0.430 277 K N 2.239 122.693 120.400 0.089 0.000 2.469 277 K HA 0.510 4.830 4.320 -0.000 0.000 0.274 277 K C 0.806 177.422 176.600 0.026 0.000 0.983 277 K CA 0.516 56.839 56.287 0.059 0.000 0.974 277 K CB 0.799 33.336 32.500 0.062 0.000 0.913 277 K HN 1.151 nan 8.250 nan 0.000 0.493 278 A N 4.333 127.137 122.820 -0.026 0.000 2.364 278 A HA 0.168 4.488 4.320 -0.000 0.000 0.258 278 A C -2.014 175.466 177.584 -0.173 0.000 1.131 278 A CA -0.708 51.252 52.037 -0.129 0.000 0.800 278 A CB -0.508 18.436 19.000 -0.094 0.000 1.086 278 A HN 0.548 nan 8.150 nan 0.000 0.508 279 P HA 0.408 nan 4.420 nan 0.000 0.284 279 P C 0.687 177.950 177.300 -0.061 0.000 1.253 279 P CA 1.086 64.044 63.100 -0.236 0.000 0.800 279 P CB 0.891 32.349 31.700 -0.402 0.000 0.961 280 G N 2.801 111.626 108.800 0.042 0.000 2.581 280 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.291 280 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.291 280 G C -0.506 174.555 174.900 0.269 0.000 1.277 280 G CA 0.747 45.941 45.100 0.157 0.000 0.959 280 G HN 0.772 nan 8.290 nan 0.000 0.554 281 F N -3.485 116.463 119.950 -0.003 0.000 2.831 281 F HA 0.723 5.250 4.527 -0.000 0.000 0.318 281 F C 0.931 176.737 175.800 0.010 0.000 1.174 281 F CA 0.387 58.388 58.000 0.002 0.000 0.918 281 F CB 0.691 39.698 39.000 0.013 0.000 1.364 281 F HN 2.447 nan 8.300 nan 0.000 0.475 282 G N 0.978 109.797 108.800 0.030 0.000 2.527 282 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.268 282 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.268 282 G C 0.147 174.992 174.900 -0.093 0.000 1.175 282 G CA 0.512 45.558 45.100 -0.090 0.000 0.962 282 G HN 0.913 nan 8.290 nan 0.000 0.560 283 D N 0.952 121.279 120.400 -0.122 0.000 2.271 283 D HA -0.007 4.633 4.640 -0.000 0.000 0.206 283 D C 2.538 178.779 176.300 -0.097 0.000 0.967 283 D CA 1.164 55.116 54.000 -0.081 0.000 0.867 283 D CB -0.014 40.750 40.800 -0.060 0.000 0.960 283 D HN 0.633 nan 8.370 nan 0.000 0.509 284 R N 1.134 121.544 120.500 -0.149 0.000 2.236 284 R HA 0.064 4.403 4.340 -0.000 0.000 0.208 284 R C 2.100 178.329 176.300 -0.119 0.000 1.036 284 R CA 0.368 56.386 56.100 -0.136 0.000 1.001 284 R CB -0.245 29.953 30.300 -0.171 0.000 0.896 284 R HN 0.001 nan 8.270 nan 0.000 0.464 285 R N 2.100 122.532 120.500 -0.114 0.000 2.066 285 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 285 R C 1.246 177.505 176.300 -0.068 0.000 1.131 285 R CA 1.588 57.642 56.100 -0.076 0.000 0.955 285 R CB -0.060 30.223 30.300 -0.028 0.000 0.851 285 R HN 0.230 nan 8.270 nan 0.000 0.432 286 K N -0.119 120.248 120.400 -0.054 0.000 2.442 286 K HA -0.024 4.296 4.320 -0.000 0.000 0.198 286 K C 1.703 178.274 176.600 -0.048 0.000 1.042 286 K CA 0.909 57.170 56.287 -0.044 0.000 0.958 286 K CB 0.170 32.652 32.500 -0.031 0.000 0.766 286 K HN 0.274 nan 8.250 nan 0.000 0.474 287 A N 0.917 123.702 122.820 -0.058 0.000 1.909 287 A HA 0.060 4.380 4.320 -0.000 0.000 0.209 287 A C 2.044 179.592 177.584 -0.061 0.000 1.247 287 A CA 0.263 52.267 52.037 -0.055 0.000 0.660 287 A CB -0.216 18.750 19.000 -0.057 0.000 0.910 287 A HN 0.049 nan 8.150 nan 0.000 0.465 288 M N -0.365 119.188 119.600 -0.078 0.000 2.082 288 M HA -0.184 4.296 4.480 -0.000 0.000 0.258 288 M C 2.254 178.494 176.300 -0.100 0.000 1.069 288 M CA 1.857 57.104 55.300 -0.089 0.000 1.102 288 M CB -0.498 32.035 32.600 -0.112 0.000 1.336 288 M HN 0.535 nan 8.290 nan 0.000 0.404 289 L N 0.196 121.353 121.223 -0.109 0.000 2.127 289 L HA -0.280 4.060 4.340 -0.000 0.000 0.211 289 L C 2.491 179.323 176.870 -0.063 0.000 1.089 289 L CA 1.575 56.351 54.840 -0.106 0.000 0.757 289 L CB -0.266 41.739 42.059 -0.090 0.000 0.899 289 L HN 0.313 nan 8.230 nan 0.000 0.434 290 Q N 0.040 119.811 119.800 -0.049 0.000 2.167 290 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 290 Q C 1.660 177.646 176.000 -0.023 0.000 0.970 290 Q CA 1.994 57.779 55.803 -0.031 0.000 0.855 290 Q CB -0.176 28.546 28.738 -0.027 0.000 0.911 290 Q HN 0.546 nan 8.270 nan 0.000 0.438 291 D N 0.168 120.551 120.400 -0.029 0.000 2.084 291 D HA -0.157 4.483 4.640 -0.000 0.000 0.194 291 D C 1.896 178.194 176.300 -0.003 0.000 0.990 291 D CA 1.425 55.416 54.000 -0.016 0.000 0.826 291 D CB -0.299 40.491 40.800 -0.017 0.000 0.971 291 D HN 0.356 nan 8.370 nan 0.000 0.453 292 I N 1.350 121.915 120.570 -0.009 0.000 2.300 292 I HA -0.325 3.845 4.170 -0.000 0.000 0.252 292 I C 2.432 178.561 176.117 0.020 0.000 1.119 292 I CA 1.095 62.405 61.300 0.016 0.000 1.384 292 I CB -0.215 37.784 38.000 -0.001 0.000 1.062 292 I HN -0.055 nan 8.210 nan 0.000 0.426 293 A N 0.410 123.234 122.820 0.007 0.000 1.855 293 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 293 A C 2.376 179.969 177.584 0.016 0.000 1.191 293 A CA 2.317 54.361 52.037 0.013 0.000 0.613 293 A CB -1.085 17.918 19.000 0.004 0.000 0.829 293 A HN 0.366 nan 8.150 nan 0.000 0.442 294 T N 0.726 115.285 114.554 0.009 0.000 2.720 294 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 294 T C 1.827 176.535 174.700 0.013 0.000 1.037 294 T CA 1.282 63.387 62.100 0.009 0.000 1.144 294 T CB -0.346 68.524 68.868 0.004 0.000 0.864 294 T HN 0.296 nan 8.240 nan 0.000 0.444 295 L N 2.180 123.413 121.223 0.016 0.000 2.131 295 L HA -0.051 4.289 4.340 -0.000 0.000 0.210 295 L C 1.838 178.723 176.870 0.024 0.000 1.092 295 L CA 2.155 57.007 54.840 0.020 0.000 0.759 295 L CB -1.230 40.846 42.059 0.028 0.000 0.903 295 L HN 0.456 nan 8.230 nan 0.000 0.435 296 T N -3.787 110.784 114.554 0.029 0.000 3.248 296 T HA 0.366 4.716 4.350 -0.000 0.000 0.271 296 T C 1.032 175.754 174.700 0.037 0.000 1.005 296 T CA 0.128 62.248 62.100 0.033 0.000 0.902 296 T CB -0.317 68.578 68.868 0.044 0.000 1.102 296 T HN 0.518 nan 8.240 nan 0.000 0.548 297 G N 0.187 109.005 108.800 0.030 0.000 2.393 297 G HA2 0.140 4.100 3.960 -0.000 0.000 0.299 297 G HA3 0.140 4.100 3.960 -0.000 0.000 0.299 297 G C 0.378 175.304 174.900 0.043 0.000 0.990 297 G CA 0.001 45.120 45.100 0.032 0.000 1.118 297 G HN 1.142 nan 8.290 nan 0.000 0.513 298 G N -1.553 107.269 108.800 0.037 0.000 3.135 298 G HA2 0.924 4.884 3.960 -0.000 0.000 0.278 298 G HA3 0.924 4.884 3.960 -0.000 0.000 0.278 298 G C -0.667 174.247 174.900 0.023 0.000 1.302 298 G CA 0.302 45.425 45.100 0.038 0.000 0.880 298 G HN 0.841 nan 8.290 nan 0.000 0.574 299 T N -0.423 114.142 114.554 0.019 0.000 2.916 299 T HA 0.522 4.872 4.350 -0.000 0.000 0.305 299 T C -0.607 174.097 174.700 0.005 0.000 1.119 299 T CA -0.366 61.739 62.100 0.009 0.000 1.008 299 T CB 1.961 70.833 68.868 0.006 0.000 1.129 299 T HN 0.424 nan 8.240 nan 0.000 0.480 300 V N 2.888 122.802 119.914 -0.000 0.000 2.583 300 V HA 0.386 4.506 4.120 -0.000 0.000 0.287 300 V C 0.024 176.116 176.094 -0.003 0.000 1.051 300 V CA -0.445 61.853 62.300 -0.004 0.000 1.010 300 V CB 0.696 32.513 31.823 -0.010 0.000 0.988 300 V HN 0.727 nan 8.190 nan 0.000 0.478 301 I N 4.975 125.543 120.570 -0.003 0.000 2.412 301 I HA 0.329 4.499 4.170 -0.000 0.000 0.279 301 I C 0.283 176.399 176.117 -0.002 0.000 1.063 301 I CA 0.064 61.362 61.300 -0.002 0.000 1.193 301 I CB 0.932 38.931 38.000 -0.001 0.000 1.370 301 I HN 0.727 nan 8.210 nan 0.000 0.479 302 S N 2.694 118.392 115.700 -0.003 0.000 2.621 302 S HA 0.455 4.925 4.470 -0.000 0.000 0.302 302 S C 0.451 175.051 174.600 -0.000 0.000 1.093 302 S CA -0.830 57.369 58.200 -0.002 0.000 1.017 302 S CB 2.160 65.357 63.200 -0.004 0.000 1.077 302 S HN 0.553 nan 8.310 nan 0.000 0.517 303 E N 0.356 120.557 120.200 0.001 0.000 2.442 303 E HA -0.018 4.332 4.350 -0.000 0.000 0.195 303 E C 1.052 177.653 176.600 0.001 0.000 1.030 303 E CA 0.333 56.734 56.400 0.002 0.000 0.869 303 E CB -0.026 29.677 29.700 0.004 0.000 0.857 303 E HN 0.748 nan 8.360 nan 0.000 0.505 304 E N 0.437 120.637 120.200 0.001 0.000 2.338 304 E HA -0.087 4.263 4.350 -0.000 0.000 0.197 304 E C 1.406 178.005 176.600 -0.001 0.000 1.007 304 E CA 0.673 57.073 56.400 0.000 0.000 0.849 304 E CB 0.160 29.859 29.700 -0.001 0.000 0.774 304 E HN 0.342 nan 8.360 nan 0.000 0.506 305 I N -0.948 119.621 120.570 -0.001 0.000 4.154 305 I HA 0.193 4.363 4.170 -0.000 0.000 0.334 305 I C 0.872 176.988 176.117 -0.001 0.000 1.371 305 I CA 0.020 61.319 61.300 -0.002 0.000 1.110 305 I CB 1.019 39.017 38.000 -0.002 0.000 1.085 305 I HN 0.095 nan 8.210 nan 0.000 0.398 306 G N 2.189 110.989 108.800 -0.001 0.000 2.165 306 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.226 306 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.226 306 G C -0.026 174.873 174.900 -0.001 0.000 1.035 306 G CA -0.337 44.763 45.100 -0.000 0.000 0.744 306 G HN 0.237 nan 8.290 nan 0.000 0.501 307 M N 0.269 119.868 119.600 -0.001 0.000 2.300 307 M HA 0.524 5.004 4.480 -0.000 0.000 0.348 307 M C 0.198 176.497 176.300 -0.001 0.000 1.151 307 M CA -0.239 55.060 55.300 -0.002 0.000 1.046 307 M CB 1.509 34.108 32.600 -0.002 0.000 1.647 307 M HN 0.219 nan 8.290 nan 0.000 0.451 308 E N 2.056 122.254 120.200 -0.002 0.000 2.227 308 E HA 0.328 4.677 4.350 -0.000 0.000 0.268 308 E C 0.213 176.811 176.600 -0.003 0.000 0.907 308 E CA -0.554 55.845 56.400 -0.002 0.000 0.786 308 E CB 2.237 31.936 29.700 -0.002 0.000 1.191 308 E HN 0.684 nan 8.360 nan 0.000 0.411 309 L N 1.632 122.854 121.223 -0.002 0.000 2.456 309 L HA -0.147 4.193 4.340 -0.000 0.000 0.224 309 L C 1.434 178.300 176.870 -0.008 0.000 1.148 309 L CA 0.912 55.749 54.840 -0.004 0.000 0.825 309 L CB -0.205 41.854 42.059 0.000 0.000 0.937 309 L HN 0.522 nan 8.230 nan 0.000 0.450 310 E N 0.347 120.543 120.200 -0.006 0.000 2.158 310 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 310 E C 0.656 177.249 176.600 -0.012 0.000 0.982 310 E CA 0.804 57.199 56.400 -0.009 0.000 0.823 310 E CB 0.125 29.822 29.700 -0.005 0.000 0.766 310 E HN 0.259 nan 8.360 nan 0.000 0.468 311 K N 0.722 121.116 120.400 -0.011 0.000 2.765 311 K HA 0.519 4.839 4.320 -0.000 0.000 0.246 311 K C -0.921 175.670 176.600 -0.015 0.000 1.254 311 K CA -0.233 56.047 56.287 -0.012 0.000 1.219 311 K CB 0.945 33.440 32.500 -0.008 0.000 1.747 311 K HN -0.052 nan 8.250 nan 0.000 0.372 312 A N 1.121 123.928 122.820 -0.022 0.000 2.442 312 A HA 0.351 4.671 4.320 -0.000 0.000 0.284 312 A C 0.222 177.780 177.584 -0.044 0.000 1.058 312 A CA -0.759 51.261 52.037 -0.028 0.000 0.738 312 A CB 0.731 19.715 19.000 -0.025 0.000 1.242 312 A HN 0.374 nan 8.150 nan 0.000 0.421 313 T N 0.065 114.591 114.554 -0.046 0.000 3.018 313 T HA 0.478 4.828 4.350 -0.000 0.000 0.338 313 T C 1.076 175.713 174.700 -0.105 0.000 1.208 313 T CA -0.170 61.891 62.100 -0.065 0.000 0.963 313 T CB 0.043 68.883 68.868 -0.047 0.000 1.697 313 T HN 0.380 nan 8.240 nan 0.000 0.560 314 L N -0.026 121.117 121.223 -0.133 0.000 2.567 314 L HA 0.266 4.606 4.340 -0.000 0.000 0.225 314 L C 2.759 179.570 176.870 -0.098 0.000 1.119 314 L CA 0.498 55.200 54.840 -0.230 0.000 0.871 314 L CB -0.360 41.512 42.059 -0.311 0.000 1.036 314 L HN 0.796 nan 8.230 nan 0.000 0.459 315 E N 0.521 120.698 120.200 -0.038 0.000 2.170 315 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 315 E C 0.940 177.550 176.600 0.017 0.000 0.981 315 E CA 0.734 57.140 56.400 0.010 0.000 0.830 315 E CB 0.335 30.039 29.700 0.006 0.000 0.775 315 E HN 0.395 nan 8.360 nan 0.000 0.470 316 D N 0.396 120.793 120.400 -0.004 0.000 2.363 316 D HA -0.004 4.636 4.640 -0.000 0.000 0.226 316 D C -0.213 176.096 176.300 0.016 0.000 1.020 316 D CA 0.313 54.315 54.000 0.004 0.000 0.892 316 D CB 0.237 41.032 40.800 -0.007 0.000 0.900 316 D HN 0.115 nan 8.370 nan 0.000 0.531 317 L N 0.331 121.569 121.223 0.026 0.000 2.343 317 L HA 0.396 4.736 4.340 -0.000 0.000 0.275 317 L C 1.292 178.245 176.870 0.137 0.000 1.056 317 L CA -0.530 54.352 54.840 0.069 0.000 0.804 317 L CB 1.405 43.488 42.059 0.039 0.000 1.203 317 L HN -0.176 nan 8.230 nan 0.000 0.440 318 G N 1.058 109.936 108.800 0.130 0.000 2.599 318 G HA2 0.483 4.443 3.960 -0.000 0.000 0.264 318 G HA3 0.483 4.443 3.960 -0.000 0.000 0.264 318 G C -0.994 173.996 174.900 0.150 0.000 1.200 318 G CA -0.167 45.001 45.100 0.114 0.000 0.896 318 G HN 0.599 nan 8.290 nan 0.000 0.536 319 Q N -1.014 118.831 119.800 0.076 0.000 2.378 319 Q HA 0.550 4.890 4.340 -0.000 0.000 0.262 319 Q C -1.128 174.854 176.000 -0.030 0.000 0.978 319 Q CA -0.717 55.085 55.803 -0.001 0.000 0.918 319 Q CB 1.809 30.526 28.738 -0.036 0.000 1.415 319 Q HN 0.974 nan 8.270 nan 0.000 0.409 320 A N 2.578 125.362 122.820 -0.060 0.000 2.524 320 A HA 0.602 4.922 4.320 -0.000 0.000 0.286 320 A C -0.824 176.718 177.584 -0.071 0.000 1.203 320 A CA -0.651 51.358 52.037 -0.047 0.000 0.736 320 A CB 1.610 20.596 19.000 -0.022 0.000 1.322 320 A HN 0.756 nan 8.150 nan 0.000 0.424 321 K N -0.491 119.878 120.400 -0.052 0.000 2.410 321 K HA 0.314 4.634 4.320 -0.000 0.000 0.200 321 K C -0.035 176.538 176.600 -0.044 0.000 1.023 321 K CA 0.331 56.585 56.287 -0.054 0.000 1.149 321 K CB 0.335 32.810 32.500 -0.041 0.000 0.859 321 K HN 0.517 nan 8.250 nan 0.000 0.514 322 R N -0.027 120.449 120.500 -0.040 0.000 4.584 322 R HA 0.033 4.373 4.340 -0.000 0.000 0.251 322 R C -2.178 174.104 176.300 -0.030 0.000 0.957 322 R CA -0.476 55.605 56.100 -0.032 0.000 1.195 322 R CB 0.716 31.000 30.300 -0.026 0.000 1.233 322 R HN -0.010 nan 8.270 nan 0.000 0.630 323 V N 0.215 120.112 119.914 -0.027 0.000 2.932 323 V HA 0.890 5.010 4.120 -0.000 0.000 0.307 323 V C -1.233 174.842 176.094 -0.033 0.000 1.147 323 V CA -0.723 61.556 62.300 -0.035 0.000 0.951 323 V CB 2.214 34.019 31.823 -0.030 0.000 1.031 323 V HN 0.424 nan 8.190 nan 0.000 0.426 324 V N 4.549 124.432 119.914 -0.051 0.000 2.914 324 V HA 0.697 4.817 4.120 -0.000 0.000 0.314 324 V C -0.376 175.680 176.094 -0.063 0.000 1.084 324 V CA -0.493 61.784 62.300 -0.037 0.000 0.963 324 V CB 1.974 33.776 31.823 -0.034 0.000 1.025 324 V HN 1.074 nan 8.190 nan 0.000 0.432 325 I N 0.242 120.798 120.570 -0.023 0.000 2.576 325 I HA 0.510 4.680 4.170 -0.000 0.000 0.279 325 I C -0.096 176.014 176.117 -0.011 0.000 1.114 325 I CA -0.579 60.697 61.300 -0.041 0.000 1.076 325 I CB 1.176 39.171 38.000 -0.009 0.000 1.212 325 I HN 0.435 nan 8.210 nan 0.000 0.472 326 N N 4.610 123.256 118.700 -0.089 0.000 2.255 326 N HA 0.008 4.748 4.740 -0.000 0.000 0.260 326 N C 1.051 176.298 175.510 -0.438 0.000 1.288 326 N CA -0.062 52.914 53.050 -0.123 0.000 0.894 326 N CB 0.738 39.164 38.487 -0.102 0.000 1.033 326 N HN 0.677 nan 8.380 nan 0.000 0.477 327 K N 0.381 120.512 120.400 -0.448 0.000 2.148 327 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 327 K C -0.312 175.915 176.600 -0.621 0.000 1.050 327 K CA 1.822 57.647 56.287 -0.770 0.000 0.942 327 K CB -0.000 32.353 32.500 -0.245 0.000 0.724 327 K HN 0.608 nan 8.250 nan 0.000 0.446 328 D N -1.136 119.068 120.400 -0.327 0.000 2.822 328 D HA 0.102 4.742 4.640 -0.000 0.000 0.327 328 D C -1.138 175.087 176.300 -0.126 0.000 1.577 328 D CA -0.482 53.405 54.000 -0.189 0.000 0.785 328 D CB 0.888 41.625 40.800 -0.105 0.000 1.199 328 D HN -0.157 nan 8.370 nan 0.000 0.443 329 T N -0.094 114.363 114.554 -0.163 0.000 3.293 329 T HA 0.449 4.799 4.350 -0.000 0.000 0.320 329 T C -0.404 174.169 174.700 -0.212 0.000 0.995 329 T CA -0.458 61.552 62.100 -0.150 0.000 1.041 329 T CB 1.901 70.702 68.868 -0.112 0.000 1.058 329 T HN -0.052 nan 8.240 nan 0.000 0.453 330 T N 1.764 116.107 114.554 -0.352 0.000 2.849 330 T HA 0.810 5.160 4.350 -0.000 0.000 0.276 330 T C -0.008 174.378 174.700 -0.523 0.000 0.971 330 T CA -0.561 61.242 62.100 -0.494 0.000 0.949 330 T CB 1.435 69.781 68.868 -0.869 0.000 1.093 330 T HN 0.718 nan 8.240 nan 0.000 0.545 331 T N 0.842 115.128 114.554 -0.446 0.000 4.349 331 T HA 0.306 4.656 4.350 -0.000 0.000 0.404 331 T C -1.579 173.017 174.700 -0.173 0.000 0.993 331 T CA -0.599 61.324 62.100 -0.294 0.000 1.025 331 T CB -0.217 68.540 68.868 -0.185 0.000 1.219 331 T HN 0.454 nan 8.240 nan 0.000 0.451 332 I N 5.778 126.277 120.570 -0.119 0.000 2.353 332 I HA 0.515 4.685 4.170 -0.000 0.000 0.293 332 I C 0.011 176.110 176.117 -0.030 0.000 0.992 332 I CA -0.951 60.324 61.300 -0.042 0.000 1.268 332 I CB 1.424 39.437 38.000 0.022 0.000 1.387 332 I HN 0.567 nan 8.210 nan 0.000 0.478 333 I N 5.449 126.002 120.570 -0.027 0.000 2.389 333 I HA 0.215 4.385 4.170 -0.000 0.000 0.288 333 I C -0.666 175.440 176.117 -0.019 0.000 0.999 333 I CA -0.520 60.766 61.300 -0.024 0.000 1.129 333 I CB 1.418 39.401 38.000 -0.028 0.000 1.288 333 I HN 0.611 nan 8.210 nan 0.000 0.444 334 D N 4.654 125.045 120.400 -0.014 0.000 4.867 334 D HA -0.116 4.524 4.640 -0.000 0.000 0.238 334 D C -0.217 176.076 176.300 -0.012 0.000 1.114 334 D CA 1.192 55.184 54.000 -0.012 0.000 1.283 334 D CB 0.181 40.971 40.800 -0.017 0.000 0.739 334 D HN 0.812 nan 8.370 nan 0.000 0.371 335 G N 1.627 110.424 108.800 -0.004 0.000 2.454 335 G HA2 0.504 4.464 3.960 -0.000 0.000 0.329 335 G HA3 0.504 4.464 3.960 -0.000 0.000 0.329 335 G C 1.174 176.073 174.900 -0.001 0.000 1.177 335 G CA -0.418 44.682 45.100 -0.001 0.000 0.951 335 G HN 0.456 nan 8.290 nan 0.000 0.485 336 V N 1.192 121.106 119.914 -0.000 0.000 2.720 336 V HA -0.005 4.115 4.120 -0.000 0.000 0.256 336 V C 2.172 178.271 176.094 0.008 0.000 1.082 336 V CA 1.107 63.408 62.300 0.002 0.000 1.101 336 V CB -1.265 30.563 31.823 0.008 0.000 0.693 336 V HN 0.847 nan 8.190 nan 0.000 0.479 337 G N 1.198 110.005 108.800 0.011 0.000 2.187 337 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.239 337 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.239 337 G C -0.070 174.835 174.900 0.008 0.000 1.200 337 G CA -0.091 45.015 45.100 0.011 0.000 0.888 337 G HN 0.581 nan 8.290 nan 0.000 0.482 338 E N 1.818 122.023 120.200 0.008 0.000 2.331 338 E HA 0.066 4.416 4.350 -0.000 0.000 0.272 338 E C 0.668 177.271 176.600 0.004 0.000 1.036 338 E CA -0.229 56.174 56.400 0.005 0.000 0.864 338 E CB 1.340 31.043 29.700 0.006 0.000 1.035 338 E HN 0.654 nan 8.360 nan 0.000 0.408 339 E N 1.378 121.579 120.200 0.002 0.000 2.527 339 E HA -0.162 4.188 4.350 -0.000 0.000 0.204 339 E C 0.970 177.571 176.600 0.001 0.000 1.132 339 E CA 0.215 56.615 56.400 0.001 0.000 0.905 339 E CB -0.002 29.698 29.700 0.000 0.000 0.875 339 E HN 0.501 nan 8.360 nan 0.000 0.548 340 A N 1.184 124.006 122.820 0.002 0.000 1.884 340 A HA 0.228 4.547 4.320 -0.000 0.000 0.212 340 A C 2.291 179.876 177.584 0.001 0.000 1.265 340 A CA 0.750 52.788 52.037 0.001 0.000 0.626 340 A CB -0.399 18.602 19.000 0.002 0.000 0.943 340 A HN 0.280 nan 8.150 nan 0.000 0.466 341 A N -0.507 122.315 122.820 0.002 0.000 2.121 341 A HA 0.117 4.437 4.320 -0.000 0.000 0.218 341 A C 1.950 179.534 177.584 0.001 0.000 1.154 341 A CA 1.149 53.187 52.037 0.002 0.000 0.679 341 A CB -0.550 18.452 19.000 0.003 0.000 0.795 341 A HN 0.492 nan 8.150 nan 0.000 0.458 342 I N -1.648 118.923 120.570 0.002 0.000 2.429 342 I HA -0.131 4.038 4.170 -0.000 0.000 0.247 342 I C 2.533 178.650 176.117 -0.000 0.000 1.099 342 I CA 1.141 62.442 61.300 0.001 0.000 1.422 342 I CB -0.147 37.855 38.000 0.003 0.000 1.112 342 I HN 0.293 nan 8.210 nan 0.000 0.430 343 Q N 1.252 121.052 119.800 -0.001 0.000 2.364 343 Q HA -0.070 4.270 4.340 -0.000 0.000 0.207 343 Q C 1.858 177.857 176.000 -0.003 0.000 0.970 343 Q CA 1.549 57.351 55.803 -0.002 0.000 0.888 343 Q CB -0.290 28.447 28.738 -0.002 0.000 0.951 343 Q HN 0.471 nan 8.270 nan 0.000 0.469 344 G N -0.587 108.212 108.800 -0.002 0.000 2.459 344 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.213 344 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.213 344 G C 1.518 176.416 174.900 -0.005 0.000 1.155 344 G CA 0.389 45.487 45.100 -0.003 0.000 0.811 344 G HN 0.279 nan 8.290 nan 0.000 0.534 345 R N 0.529 121.026 120.500 -0.004 0.000 2.115 345 R HA 0.036 4.376 4.340 -0.000 0.000 0.230 345 R C 2.362 178.657 176.300 -0.008 0.000 1.111 345 R CA 1.224 57.320 56.100 -0.006 0.000 0.976 345 R CB -0.704 29.592 30.300 -0.006 0.000 0.870 345 R HN 0.204 nan 8.270 nan 0.000 0.445 346 V N 0.583 120.493 119.914 -0.007 0.000 2.427 346 V HA -0.136 3.984 4.120 -0.000 0.000 0.248 346 V C 2.321 178.410 176.094 -0.009 0.000 1.051 346 V CA 1.771 64.067 62.300 -0.008 0.000 1.048 346 V CB -0.849 30.971 31.823 -0.006 0.000 0.666 346 V HN 0.510 nan 8.190 nan 0.000 0.456 347 A N -0.723 122.092 122.820 -0.007 0.000 1.933 347 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 347 A C 2.190 179.769 177.584 -0.009 0.000 1.175 347 A CA 1.785 53.817 52.037 -0.007 0.000 0.628 347 A CB -0.417 18.579 19.000 -0.006 0.000 0.814 347 A HN 0.622 nan 8.150 nan 0.000 0.444 348 Q N -0.634 119.160 119.800 -0.009 0.000 2.119 348 Q HA -0.040 4.300 4.340 -0.000 0.000 0.201 348 Q C 1.913 177.905 176.000 -0.013 0.000 0.972 348 Q CA 1.434 57.231 55.803 -0.011 0.000 0.847 348 Q CB -0.235 28.497 28.738 -0.011 0.000 0.903 348 Q HN 0.752 nan 8.270 nan 0.000 0.433 349 I N -0.132 120.429 120.570 -0.015 0.000 2.617 349 I HA -0.155 4.015 4.170 -0.000 0.000 0.256 349 I C 2.366 178.472 176.117 -0.018 0.000 1.167 349 I CA 0.510 61.798 61.300 -0.019 0.000 1.469 349 I CB -0.103 37.884 38.000 -0.021 0.000 1.098 349 I HN 0.072 nan 8.210 nan 0.000 0.436 350 R N 0.886 121.378 120.500 -0.014 0.000 2.148 350 R HA -0.147 4.193 4.340 -0.000 0.000 0.227 350 R C 2.200 178.492 176.300 -0.012 0.000 1.103 350 R CA 1.293 57.385 56.100 -0.013 0.000 0.983 350 R CB 0.026 30.319 30.300 -0.010 0.000 0.874 350 R HN 0.401 nan 8.270 nan 0.000 0.451 351 Q N -0.854 118.939 119.800 -0.012 0.000 2.250 351 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 351 Q C 1.748 177.740 176.000 -0.012 0.000 0.941 351 Q CA 0.511 56.308 55.803 -0.011 0.000 0.872 351 Q CB 0.396 29.128 28.738 -0.009 0.000 0.965 351 Q HN 0.371 nan 8.270 nan 0.000 0.480 352 Q N 0.394 120.184 119.800 -0.015 0.000 2.248 352 Q HA -0.169 4.171 4.340 -0.000 0.000 0.208 352 Q C 1.916 177.906 176.000 -0.018 0.000 0.984 352 Q CA 1.123 56.915 55.803 -0.018 0.000 0.875 352 Q CB -0.156 28.568 28.738 -0.024 0.000 0.910 352 Q HN 0.506 nan 8.270 nan 0.000 0.433 353 I N 0.736 121.295 120.570 -0.018 0.000 2.617 353 I HA -0.176 3.994 4.170 -0.000 0.000 0.256 353 I C 1.999 178.109 176.117 -0.011 0.000 1.167 353 I CA 0.617 61.907 61.300 -0.017 0.000 1.469 353 I CB -0.190 37.799 38.000 -0.018 0.000 1.098 353 I HN 0.074 nan 8.210 nan 0.000 0.436 354 E N 1.477 121.671 120.200 -0.010 0.000 2.072 354 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 354 E C 1.182 177.778 176.600 -0.005 0.000 0.982 354 E CA 1.025 57.421 56.400 -0.007 0.000 0.803 354 E CB -0.295 29.401 29.700 -0.006 0.000 0.755 354 E HN 0.581 nan 8.360 nan 0.000 0.453 355 E N 1.143 121.340 120.200 -0.006 0.000 2.301 355 E HA 0.251 4.601 4.350 -0.000 0.000 0.195 355 E C -0.233 176.365 176.600 -0.003 0.000 1.171 355 E CA -0.304 56.094 56.400 -0.004 0.000 1.142 355 E CB 0.224 29.921 29.700 -0.005 0.000 1.218 355 E HN 0.077 nan 8.360 nan 0.000 0.448 356 A N 1.265 124.083 122.820 -0.003 0.000 2.454 356 A HA 0.140 4.460 4.320 -0.000 0.000 0.260 356 A C 1.267 178.854 177.584 0.005 0.000 1.106 356 A CA -0.172 51.864 52.037 -0.001 0.000 0.780 356 A CB 0.128 19.127 19.000 -0.003 0.000 1.044 356 A HN 0.283 nan 8.150 nan 0.000 0.498 357 T N -0.860 113.700 114.554 0.010 0.000 3.001 357 T HA 0.359 4.709 4.350 -0.000 0.000 0.251 357 T C 0.660 175.372 174.700 0.020 0.000 1.040 357 T CA 0.594 62.702 62.100 0.013 0.000 0.985 357 T CB -0.043 68.832 68.868 0.012 0.000 1.011 357 T HN 0.776 nan 8.240 nan 0.000 0.509 358 S N -0.755 114.962 115.700 0.029 0.000 2.618 358 S HA 0.414 4.884 4.470 -0.000 0.000 0.277 358 S C -0.378 174.254 174.600 0.054 0.000 1.138 358 S CA -0.582 57.645 58.200 0.046 0.000 0.844 358 S CB 1.699 64.939 63.200 0.067 0.000 1.127 358 S HN 0.061 nan 8.310 nan 0.000 0.474 359 D N 0.620 121.061 120.400 0.068 0.000 2.183 359 D HA -0.028 4.612 4.640 -0.000 0.000 0.203 359 D C 1.204 177.564 176.300 0.100 0.000 0.969 359 D CA 1.138 55.179 54.000 0.068 0.000 0.842 359 D CB -0.126 40.714 40.800 0.066 0.000 0.957 359 D HN 0.582 nan 8.370 nan 0.000 0.484 360 Y N 2.140 122.437 120.300 -0.005 0.000 2.092 360 Y HA -0.189 4.361 4.550 -0.000 0.000 0.282 360 Y C 1.682 177.573 175.900 -0.014 0.000 1.126 360 Y CA 1.734 59.830 58.100 -0.007 0.000 1.111 360 Y CB -0.460 37.996 38.460 -0.007 0.000 0.987 360 Y HN -0.167 nan 8.280 nan 0.000 0.489 361 D N -0.430 120.020 120.400 0.084 0.000 2.220 361 D HA -0.241 4.399 4.640 -0.000 0.000 0.198 361 D C 2.230 178.484 176.300 -0.076 0.000 1.001 361 D CA 1.716 55.703 54.000 -0.020 0.000 0.875 361 D CB -0.202 40.615 40.800 0.028 0.000 0.921 361 D HN 0.291 nan 8.370 nan 0.000 0.454 362 R N 0.390 120.862 120.500 -0.048 0.000 2.064 362 R HA -0.120 4.220 4.340 -0.000 0.000 0.228 362 R C 1.966 178.215 176.300 -0.086 0.000 1.144 362 R CA 1.102 57.172 56.100 -0.050 0.000 0.932 362 R CB 0.076 30.365 30.300 -0.019 0.000 0.833 362 R HN 0.069 nan 8.270 nan 0.000 0.429 363 E N 1.155 121.292 120.200 -0.105 0.000 2.045 363 E HA -0.248 4.102 4.350 -0.000 0.000 0.212 363 E C 1.673 178.176 176.600 -0.162 0.000 1.039 363 E CA 1.388 57.713 56.400 -0.125 0.000 0.860 363 E CB -0.325 29.288 29.700 -0.145 0.000 0.776 363 E HN 0.208 nan 8.360 nan 0.000 0.467 364 K N 0.608 120.843 120.400 -0.275 0.000 2.589 364 K HA -0.065 4.255 4.320 -0.000 0.000 0.195 364 K C 2.038 178.548 176.600 -0.151 0.000 1.042 364 K CA 0.491 56.631 56.287 -0.246 0.000 0.940 364 K CB -0.261 32.018 32.500 -0.368 0.000 0.776 364 K HN 0.267 nan 8.250 nan 0.000 0.487 365 L N -0.636 120.516 121.223 -0.118 0.000 2.425 365 L HA 0.024 4.364 4.340 -0.000 0.000 0.215 365 L C 2.055 178.891 176.870 -0.058 0.000 1.065 365 L CA 0.246 55.039 54.840 -0.078 0.000 0.842 365 L CB -0.074 41.947 42.059 -0.065 0.000 1.033 365 L HN 0.097 nan 8.230 nan 0.000 0.474 366 Q N 0.105 119.871 119.800 -0.057 0.000 2.297 366 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 366 Q C 1.675 177.654 176.000 -0.036 0.000 0.962 366 Q CA 0.990 56.769 55.803 -0.040 0.000 0.879 366 Q CB 0.211 28.927 28.738 -0.035 0.000 0.947 366 Q HN 0.503 nan 8.270 nan 0.000 0.462 367 E N 0.523 120.694 120.200 -0.047 0.000 2.051 367 E HA -0.072 4.278 4.350 -0.000 0.000 0.189 367 E C 2.018 178.601 176.600 -0.027 0.000 0.979 367 E CA 0.284 56.663 56.400 -0.036 0.000 0.803 367 E CB 0.107 29.779 29.700 -0.047 0.000 0.761 367 E HN 0.179 nan 8.360 nan 0.000 0.451 368 R N 0.713 121.189 120.500 -0.039 0.000 2.105 368 R HA -0.149 4.191 4.340 -0.000 0.000 0.239 368 R C 2.558 178.847 176.300 -0.019 0.000 1.135 368 R CA 1.628 57.710 56.100 -0.030 0.000 0.967 368 R CB -0.361 29.913 30.300 -0.043 0.000 0.861 368 R HN 0.206 nan 8.270 nan 0.000 0.442 369 V N -2.533 117.369 119.914 -0.021 0.000 2.302 369 V HA -0.012 4.108 4.120 -0.000 0.000 0.243 369 V C 2.349 178.438 176.094 -0.009 0.000 1.036 369 V CA 1.416 63.708 62.300 -0.015 0.000 1.020 369 V CB -1.222 30.591 31.823 -0.017 0.000 0.657 369 V HN 0.207 nan 8.190 nan 0.000 0.453 370 A N 1.088 123.902 122.820 -0.010 0.000 1.859 370 A HA -0.324 3.996 4.320 -0.000 0.000 0.218 370 A C 2.317 179.901 177.584 -0.001 0.000 1.209 370 A CA 2.939 54.972 52.037 -0.007 0.000 0.639 370 A CB -0.935 18.061 19.000 -0.008 0.000 0.835 370 A HN 0.625 nan 8.150 nan 0.000 0.450 371 K N -1.366 119.037 120.400 0.005 0.000 2.218 371 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 371 K C 1.718 178.328 176.600 0.017 0.000 1.046 371 K CA 1.433 57.730 56.287 0.016 0.000 0.933 371 K CB -0.246 32.275 32.500 0.034 0.000 0.728 371 K HN 0.408 nan 8.250 nan 0.000 0.454 372 L N -0.787 120.443 121.223 0.011 0.000 2.477 372 L HA 0.121 4.461 4.340 -0.000 0.000 0.220 372 L C 1.693 178.565 176.870 0.004 0.000 1.106 372 L CA 0.752 55.598 54.840 0.010 0.000 0.851 372 L CB 0.263 42.325 42.059 0.005 0.000 0.994 372 L HN 0.027 nan 8.230 nan 0.000 0.462 373 A N -1.302 121.518 122.820 0.000 0.000 1.993 373 A HA 0.349 4.669 4.320 -0.000 0.000 0.207 373 A C 1.812 179.395 177.584 -0.002 0.000 1.224 373 A CA 0.514 52.550 52.037 -0.002 0.000 0.749 373 A CB -0.658 18.339 19.000 -0.004 0.000 0.884 373 A HN 0.318 nan 8.150 nan 0.000 0.467 374 G N 0.266 109.064 108.800 -0.003 0.000 3.474 374 G HA2 0.421 4.381 3.960 -0.000 0.000 0.269 374 G HA3 0.421 4.381 3.960 -0.000 0.000 0.269 374 G C 1.039 175.935 174.900 -0.005 0.000 1.339 374 G CA 0.604 45.701 45.100 -0.005 0.000 1.258 374 G HN 0.782 nan 8.290 nan 0.000 0.560 375 G N 0.212 109.011 108.800 -0.003 0.000 3.304 375 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.859 375 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.859 375 G C 0.136 175.031 174.900 -0.009 0.000 0.958 375 G CA 1.068 46.166 45.100 -0.004 0.000 0.765 375 G HN 0.944 nan 8.290 nan 0.000 1.149 376 V N -0.557 119.350 119.914 -0.012 0.000 2.971 376 V HA 0.704 4.824 4.120 -0.000 0.000 0.309 376 V C 0.403 176.486 176.094 -0.019 0.000 1.130 376 V CA -0.390 61.899 62.300 -0.019 0.000 0.964 376 V CB 1.665 33.474 31.823 -0.023 0.000 1.029 376 V HN 1.402 nan 8.190 nan 0.000 0.427 377 A N 2.762 125.568 122.820 -0.022 0.000 2.301 377 A HA 0.783 5.103 4.320 -0.000 0.000 0.298 377 A C -0.652 176.920 177.584 -0.021 0.000 1.185 377 A CA -0.411 51.614 52.037 -0.020 0.000 0.830 377 A CB 1.015 20.002 19.000 -0.022 0.000 1.112 377 A HN 0.789 nan 8.150 nan 0.000 0.508 378 V N 4.682 124.586 119.914 -0.017 0.000 2.409 378 V HA 0.307 4.427 4.120 -0.000 0.000 0.290 378 V C -0.512 175.575 176.094 -0.012 0.000 1.017 378 V CA -0.105 62.186 62.300 -0.016 0.000 0.841 378 V CB 1.200 33.014 31.823 -0.014 0.000 1.003 378 V HN 0.748 nan 8.190 nan 0.000 0.426 379 I N 5.574 126.137 120.570 -0.012 0.000 2.328 379 I HA 0.405 4.575 4.170 -0.000 0.000 0.287 379 I C 0.136 176.250 176.117 -0.006 0.000 1.012 379 I CA -0.533 60.762 61.300 -0.008 0.000 1.195 379 I CB 1.168 39.164 38.000 -0.008 0.000 1.350 379 I HN 0.441 nan 8.210 nan 0.000 0.464 380 K N 6.191 126.588 120.400 -0.005 0.000 2.266 380 K HA 0.365 4.685 4.320 -0.000 0.000 0.274 380 K C -0.281 176.318 176.600 -0.002 0.000 1.090 380 K CA -0.567 55.717 56.287 -0.004 0.000 0.925 380 K CB 1.212 33.709 32.500 -0.004 0.000 1.225 380 K HN 0.345 nan 8.250 nan 0.000 0.458 381 V N 2.418 122.332 119.914 -0.000 0.000 3.083 381 V HA -0.134 3.985 4.120 -0.000 0.000 0.303 381 V C 1.667 177.761 176.094 0.001 0.000 1.151 381 V CA 0.499 62.800 62.300 0.001 0.000 1.275 381 V CB 0.111 31.936 31.823 0.003 0.000 0.950 381 V HN 0.948 nan 8.190 nan 0.000 0.506 382 G N 1.285 110.086 108.800 0.001 0.000 2.393 382 G HA2 0.508 4.468 3.960 -0.000 0.000 0.268 382 G HA3 0.508 4.468 3.960 -0.000 0.000 0.268 382 G C 0.121 175.021 174.900 0.001 0.000 1.472 382 G CA 0.468 45.569 45.100 0.001 0.000 1.059 382 G HN 1.384 nan 8.290 nan 0.000 0.555 383 A N -3.532 119.289 122.820 0.001 0.000 5.519 383 A HA 0.844 5.164 4.320 -0.000 0.000 0.158 383 A C 0.064 177.649 177.584 0.002 0.000 0.860 383 A CA 0.743 52.781 52.037 0.002 0.000 1.134 383 A CB -0.287 18.713 19.000 0.001 0.000 2.248 383 A HN 2.578 nan 8.150 nan 0.000 1.056 384 A N -0.606 122.215 122.820 0.001 0.000 3.033 384 A HA 0.576 4.896 4.320 -0.000 0.000 0.262 384 A C 1.014 178.599 177.584 0.002 0.000 1.301 384 A CA 1.151 53.189 52.037 0.001 0.000 0.727 384 A CB -2.612 16.389 19.000 0.001 0.000 1.094 384 A HN 3.570 nan 8.150 nan 0.000 0.374 385 T N -2.153 112.402 114.554 0.002 0.000 0.541 385 T HA -0.089 4.261 4.350 -0.000 0.000 0.774 385 T C 0.383 175.085 174.700 0.003 0.000 0.992 385 T CA 1.505 63.607 62.100 0.002 0.000 4.077 385 T CB -1.036 67.834 68.868 0.002 0.000 2.303 385 T HN 1.902 nan 8.240 nan 0.000 0.398 386 E N 0.957 121.159 120.200 0.003 0.000 2.085 386 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 386 E C 2.180 178.783 176.600 0.004 0.000 0.994 386 E CA 2.058 58.460 56.400 0.003 0.000 0.801 386 E CB -0.179 29.523 29.700 0.004 0.000 0.743 386 E HN 0.647 nan 8.360 nan 0.000 0.453 387 V N 1.356 121.272 119.914 0.004 0.000 2.332 387 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 387 V C 2.053 178.149 176.094 0.004 0.000 1.055 387 V CA 2.244 64.546 62.300 0.004 0.000 1.038 387 V CB -0.521 31.304 31.823 0.004 0.000 0.651 387 V HN 0.307 nan 8.190 nan 0.000 0.450 388 E N -0.815 119.387 120.200 0.004 0.000 2.158 388 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 388 E C 2.184 178.787 176.600 0.004 0.000 0.982 388 E CA 0.813 57.215 56.400 0.004 0.000 0.823 388 E CB -0.184 29.518 29.700 0.003 0.000 0.766 388 E HN 0.418 nan 8.360 nan 0.000 0.468 389 M N 1.230 120.832 119.600 0.004 0.000 2.117 389 M HA -0.134 4.346 4.480 -0.000 0.000 0.262 389 M C 1.558 177.862 176.300 0.005 0.000 1.065 389 M CA 1.493 56.796 55.300 0.004 0.000 1.114 389 M CB -0.122 32.480 32.600 0.004 0.000 1.361 389 M HN -0.150 nan 8.290 nan 0.000 0.408 390 K N 0.134 120.538 120.400 0.006 0.000 2.439 390 K HA -0.108 4.212 4.320 -0.000 0.000 0.197 390 K C 1.732 178.336 176.600 0.008 0.000 1.041 390 K CA 0.756 57.047 56.287 0.007 0.000 0.970 390 K CB -0.188 32.316 32.500 0.008 0.000 0.773 390 K HN 0.592 nan 8.250 nan 0.000 0.479 391 E N 0.965 121.169 120.200 0.007 0.000 2.166 391 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 391 E C 1.875 178.480 176.600 0.008 0.000 0.967 391 E CA 0.447 56.852 56.400 0.007 0.000 0.840 391 E CB 0.287 29.990 29.700 0.005 0.000 0.795 391 E HN 0.079 nan 8.360 nan 0.000 0.470 392 K N 1.175 121.579 120.400 0.007 0.000 2.062 392 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 392 K C 2.242 178.848 176.600 0.010 0.000 1.051 392 K CA 1.170 57.461 56.287 0.008 0.000 0.941 392 K CB 0.012 32.516 32.500 0.006 0.000 0.719 392 K HN -0.089 nan 8.250 nan 0.000 0.440 393 K N 0.363 120.769 120.400 0.010 0.000 2.059 393 K HA -0.228 4.092 4.320 -0.000 0.000 0.212 393 K C 1.898 178.508 176.600 0.017 0.000 1.050 393 K CA 1.623 57.917 56.287 0.012 0.000 0.927 393 K CB -0.220 32.287 32.500 0.011 0.000 0.714 393 K HN 0.216 nan 8.250 nan 0.000 0.447 394 A N 1.445 124.274 122.820 0.016 0.000 1.845 394 A HA -0.159 4.160 4.320 -0.000 0.000 0.215 394 A C 2.053 179.650 177.584 0.021 0.000 1.195 394 A CA 1.653 53.701 52.037 0.018 0.000 0.616 394 A CB -0.598 18.409 19.000 0.013 0.000 0.832 394 A HN 0.381 nan 8.150 nan 0.000 0.443 395 R N -0.627 119.883 120.500 0.016 0.000 2.211 395 R HA -0.110 4.230 4.340 -0.000 0.000 0.240 395 R C 1.902 178.215 176.300 0.022 0.000 1.144 395 R CA 1.309 57.419 56.100 0.016 0.000 0.992 395 R CB -0.580 29.727 30.300 0.012 0.000 0.869 395 R HN 0.426 nan 8.270 nan 0.000 0.462 396 V N 0.950 120.878 119.914 0.023 0.000 2.283 396 V HA -0.194 3.926 4.120 -0.000 0.000 0.243 396 V C 1.973 178.091 176.094 0.040 0.000 1.039 396 V CA 1.686 64.001 62.300 0.024 0.000 1.016 396 V CB -0.321 31.512 31.823 0.017 0.000 0.650 396 V HN 0.312 nan 8.190 nan 0.000 0.449 397 E N 0.498 120.729 120.200 0.052 0.000 2.049 397 E HA -0.259 4.091 4.350 -0.000 0.000 0.198 397 E C 2.305 178.993 176.600 0.148 0.000 1.007 397 E CA 1.547 58.006 56.400 0.097 0.000 0.809 397 E CB -0.422 29.338 29.700 0.099 0.000 0.749 397 E HN 0.582 nan 8.360 nan 0.000 0.450 398 A N 1.413 124.286 122.820 0.088 0.000 1.883 398 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 398 A C 2.367 180.004 177.584 0.088 0.000 1.186 398 A CA 1.976 54.053 52.037 0.067 0.000 0.624 398 A CB -0.794 18.220 19.000 0.023 0.000 0.822 398 A HN 0.314 nan 8.150 nan 0.000 0.444 399 A N -0.298 122.559 122.820 0.063 0.000 1.832 399 A HA 0.009 4.329 4.320 -0.000 0.000 0.214 399 A C 2.133 179.752 177.584 0.058 0.000 1.200 399 A CA 1.755 53.821 52.037 0.049 0.000 0.610 399 A CB -0.923 18.095 19.000 0.030 0.000 0.842 399 A HN 0.953 nan 8.150 nan 0.000 0.444 400 L N -0.289 120.961 121.223 0.046 0.000 2.010 400 L HA -0.289 4.051 4.340 -0.000 0.000 0.219 400 L C 2.263 179.143 176.870 0.016 0.000 1.077 400 L CA 2.798 57.646 54.840 0.013 0.000 0.773 400 L CB -1.219 40.831 42.059 -0.014 0.000 0.892 400 L HN 0.573 nan 8.230 nan 0.000 0.436 401 H N -0.128 118.941 119.070 -0.001 0.000 2.355 401 H HA -0.201 4.355 4.556 -0.000 0.000 0.293 401 H C 2.078 177.407 175.328 0.002 0.000 1.060 401 H CA 2.238 58.286 56.048 0.000 0.000 1.167 401 H CB -0.639 29.124 29.762 0.001 0.000 1.376 401 H HN 0.526 nan 8.280 nan 0.000 0.549 402 A N 0.034 122.959 122.820 0.175 0.000 1.997 402 A HA -0.230 4.089 4.320 -0.000 0.000 0.221 402 A C 2.676 180.295 177.584 0.058 0.000 1.172 402 A CA 2.368 54.460 52.037 0.093 0.000 0.645 402 A CB -1.037 17.999 19.000 0.061 0.000 0.813 402 A HN 0.529 nan 8.150 nan 0.000 0.454 403 T N -0.908 113.673 114.554 0.045 0.000 2.643 403 T HA -0.146 4.204 4.350 -0.000 0.000 0.264 403 T C 2.168 176.877 174.700 0.013 0.000 1.045 403 T CA 1.337 63.450 62.100 0.022 0.000 1.155 403 T CB -0.270 68.605 68.868 0.012 0.000 0.863 403 T HN 0.367 nan 8.240 nan 0.000 0.420 404 R N 1.262 121.763 120.500 0.001 0.000 2.134 404 R HA -0.103 4.237 4.340 -0.000 0.000 0.248 404 R C 2.392 178.696 176.300 0.007 0.000 1.143 404 R CA 1.919 58.012 56.100 -0.012 0.000 0.957 404 R CB -1.185 29.088 30.300 -0.045 0.000 0.867 404 R HN 0.451 nan 8.270 nan 0.000 0.441 405 A N -0.548 122.288 122.820 0.027 0.000 2.216 405 A HA 0.091 4.411 4.320 -0.000 0.000 0.214 405 A C 2.042 179.640 177.584 0.023 0.000 1.160 405 A CA 1.441 53.498 52.037 0.033 0.000 0.725 405 A CB -0.226 18.806 19.000 0.054 0.000 0.784 405 A HN 0.416 nan 8.150 nan 0.000 0.472 406 A N -0.903 121.929 122.820 0.019 0.000 1.942 406 A HA 0.233 4.553 4.320 -0.000 0.000 0.209 406 A C 2.016 179.606 177.584 0.010 0.000 1.214 406 A CA 0.997 53.043 52.037 0.015 0.000 0.686 406 A CB -0.581 18.429 19.000 0.016 0.000 0.871 406 A HN 0.278 nan 8.150 nan 0.000 0.460 407 V N 0.713 120.632 119.914 0.007 0.000 2.324 407 V HA -0.327 3.793 4.120 -0.000 0.000 0.250 407 V C 2.396 178.492 176.094 0.004 0.000 1.060 407 V CA 2.513 64.815 62.300 0.004 0.000 1.042 407 V CB -0.895 30.928 31.823 -0.001 0.000 0.650 407 V HN 0.615 nan 8.190 nan 0.000 0.450 408 E N -0.051 120.153 120.200 0.005 0.000 2.006 408 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 408 E C 1.572 178.175 176.600 0.005 0.000 0.993 408 E CA 1.449 57.852 56.400 0.005 0.000 0.808 408 E CB -0.053 29.651 29.700 0.007 0.000 0.764 408 E HN 0.662 nan 8.360 nan 0.000 0.449 409 E N -0.310 119.894 120.200 0.007 0.000 2.685 409 E HA 0.254 4.604 4.350 -0.000 0.000 0.208 409 E C 0.094 176.698 176.600 0.007 0.000 0.996 409 E CA 0.007 56.410 56.400 0.005 0.000 1.054 409 E CB 1.265 30.968 29.700 0.003 0.000 1.075 409 E HN 0.326 nan 8.360 nan 0.000 0.460 410 G N 1.012 109.817 108.800 0.008 0.000 2.642 410 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.231 410 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.231 410 G C -0.290 174.617 174.900 0.012 0.000 1.338 410 G CA -0.357 44.748 45.100 0.009 0.000 0.883 410 G HN 0.630 nan 8.290 nan 0.000 0.570 411 V N -3.052 116.870 119.914 0.013 0.000 3.147 411 V HA 0.976 5.096 4.120 -0.000 0.000 0.306 411 V C -0.173 175.931 176.094 0.016 0.000 1.209 411 V CA 0.380 62.689 62.300 0.015 0.000 1.023 411 V CB 1.487 33.319 31.823 0.015 0.000 1.059 411 V HN 2.639 nan 8.190 nan 0.000 0.435 412 V N 2.205 122.129 119.914 0.017 0.000 3.120 412 V HA 0.893 5.013 4.120 -0.000 0.000 0.303 412 V C 0.482 176.589 176.094 0.022 0.000 1.238 412 V CA -0.241 62.070 62.300 0.019 0.000 1.008 412 V CB 1.863 33.697 31.823 0.018 0.000 1.064 412 V HN 2.674 nan 8.190 nan 0.000 0.434 413 A N 3.716 126.552 122.820 0.027 0.000 2.500 413 A HA 0.397 4.717 4.320 -0.000 0.000 0.286 413 A C 1.080 178.679 177.584 0.025 0.000 1.170 413 A CA 1.110 53.164 52.037 0.030 0.000 0.951 413 A CB -1.358 17.666 19.000 0.039 0.000 0.965 413 A HN 2.088 nan 8.150 nan 0.000 0.551 414 G N 1.441 110.254 108.800 0.021 0.000 2.468 414 G HA2 0.506 4.466 3.960 -0.000 0.000 0.264 414 G HA3 0.506 4.466 3.960 -0.000 0.000 0.264 414 G C 1.264 176.176 174.900 0.019 0.000 1.460 414 G CA -0.051 45.060 45.100 0.018 0.000 1.060 414 G HN 2.211 nan 8.290 nan 0.000 0.543 415 G N -2.170 106.640 108.800 0.017 0.000 2.249 415 G HA2 0.224 4.184 3.960 -0.000 0.000 0.273 415 G HA3 0.224 4.184 3.960 -0.000 0.000 0.273 415 G C 1.513 176.422 174.900 0.016 0.000 1.036 415 G CA 1.184 46.295 45.100 0.019 0.000 0.824 415 G HN 2.475 nan 8.290 nan 0.000 0.504 416 G N -2.805 106.001 108.800 0.011 0.000 2.253 416 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.251 416 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.251 416 G C 1.935 176.840 174.900 0.007 0.000 0.998 416 G CA 1.847 46.949 45.100 0.004 0.000 0.621 416 G HN 2.047 nan 8.290 nan 0.000 0.524 417 V N -0.879 119.044 119.914 0.015 0.000 2.270 417 V HA 0.277 4.397 4.120 -0.000 0.000 0.245 417 V C 3.106 179.214 176.094 0.023 0.000 1.043 417 V CA 2.328 64.641 62.300 0.021 0.000 1.014 417 V CB -1.775 30.065 31.823 0.028 0.000 0.645 417 V HN 1.717 nan 8.190 nan 0.000 0.447 418 A N 1.603 124.437 122.820 0.023 0.000 1.899 418 A HA -0.304 4.016 4.320 -0.000 0.000 0.230 418 A C 2.278 179.873 177.584 0.018 0.000 1.593 418 A CA 3.224 55.274 52.037 0.021 0.000 0.728 418 A CB -1.156 17.854 19.000 0.017 0.000 0.848 418 A HN 0.627 nan 8.150 nan 0.000 0.490 419 L N -0.929 120.302 121.223 0.014 0.000 1.994 419 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 419 L C 2.614 179.492 176.870 0.013 0.000 1.071 419 L CA 1.730 56.576 54.840 0.011 0.000 0.745 419 L CB -0.797 41.266 42.059 0.008 0.000 0.892 419 L HN 0.453 nan 8.230 nan 0.000 0.431 420 I N -0.371 120.207 120.570 0.013 0.000 2.399 420 I HA -0.297 3.873 4.170 -0.000 0.000 0.254 420 I C 2.797 178.927 176.117 0.023 0.000 1.146 420 I CA 0.875 62.184 61.300 0.015 0.000 1.412 420 I CB -0.453 37.555 38.000 0.014 0.000 1.076 420 I HN 0.283 nan 8.210 nan 0.000 0.432 421 R N 1.501 122.017 120.500 0.028 0.000 2.070 421 R HA -0.100 4.240 4.340 -0.000 0.000 0.227 421 R C 2.206 178.522 176.300 0.026 0.000 1.147 421 R CA 1.819 57.940 56.100 0.035 0.000 0.924 421 R CB -1.111 29.213 30.300 0.040 0.000 0.827 421 R HN 0.085 nan 8.270 nan 0.000 0.431 422 V N 1.320 121.247 119.914 0.021 0.000 2.218 422 V HA -0.346 3.774 4.120 -0.000 0.000 0.251 422 V C 2.281 178.383 176.094 0.013 0.000 1.057 422 V CA 2.603 64.912 62.300 0.015 0.000 1.022 422 V CB -1.247 30.582 31.823 0.011 0.000 0.645 422 V HN 0.625 nan 8.190 nan 0.000 0.451 423 A N 0.225 123.052 122.820 0.011 0.000 2.245 423 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 423 A C 2.329 179.920 177.584 0.011 0.000 1.171 423 A CA 2.105 54.148 52.037 0.009 0.000 0.688 423 A CB -0.618 18.387 19.000 0.008 0.000 0.781 423 A HN 0.800 nan 8.150 nan 0.000 0.479 424 S N -1.102 114.607 115.700 0.015 0.000 2.478 424 S HA 0.058 4.528 4.470 -0.000 0.000 0.222 424 S C 1.653 176.262 174.600 0.014 0.000 1.008 424 S CA 0.685 58.895 58.200 0.017 0.000 0.928 424 S CB -0.006 63.209 63.200 0.024 0.000 0.781 424 S HN 0.620 nan 8.310 nan 0.000 0.518 425 K N 1.404 121.813 120.400 0.014 0.000 2.044 425 K HA 0.272 4.592 4.320 -0.000 0.000 0.204 425 K C 1.273 177.878 176.600 0.008 0.000 1.045 425 K CA 0.739 57.033 56.287 0.011 0.000 0.951 425 K CB -0.429 32.078 32.500 0.011 0.000 0.738 425 K HN 0.300 nan 8.250 nan 0.000 0.443 426 L N 1.733 122.960 121.223 0.007 0.000 2.885 426 L HA -0.048 4.292 4.340 -0.000 0.000 0.258 426 L C 1.766 178.638 176.870 0.004 0.000 1.146 426 L CA -0.307 54.536 54.840 0.005 0.000 0.922 426 L CB -0.737 41.324 42.059 0.004 0.000 1.138 426 L HN 0.204 nan 8.230 nan 0.000 0.431 427 A N -0.625 122.198 122.820 0.005 0.000 2.172 427 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 427 A C 1.766 179.352 177.584 0.003 0.000 1.154 427 A CA 1.213 53.253 52.037 0.004 0.000 0.701 427 A CB -0.154 18.849 19.000 0.005 0.000 0.789 427 A HN 0.391 nan 8.150 nan 0.000 0.465 428 D N -1.173 119.229 120.400 0.003 0.000 2.389 428 D HA 0.102 4.742 4.640 -0.000 0.000 0.206 428 D C 0.319 176.620 176.300 0.001 0.000 1.055 428 D CA -0.207 53.794 54.000 0.002 0.000 0.856 428 D CB 0.040 40.841 40.800 0.002 0.000 0.957 428 D HN 0.348 nan 8.370 nan 0.000 0.509 429 L N 2.259 123.483 121.223 0.002 0.000 2.540 429 L HA 0.021 4.361 4.340 -0.000 0.000 0.276 429 L C 0.163 177.033 176.870 0.001 0.000 1.212 429 L CA 0.721 55.562 54.840 0.001 0.000 0.893 429 L CB 0.080 42.140 42.059 0.001 0.000 1.138 429 L HN -0.171 nan 8.230 nan 0.000 0.491 430 R N 3.177 123.677 120.500 0.000 0.000 2.855 430 R HA 0.709 5.049 4.340 -0.000 0.000 0.266 430 R C -0.212 176.088 176.300 -0.000 0.000 1.034 430 R CA -0.332 55.768 56.100 -0.000 0.000 0.944 430 R CB 1.490 31.790 30.300 -0.000 0.000 1.219 430 R HN 0.800 nan 8.270 nan 0.000 0.474 431 G N -0.318 108.481 108.800 -0.001 0.000 3.122 431 G HA2 0.210 4.170 3.960 -0.000 0.000 0.180 431 G HA3 0.210 4.170 3.960 -0.000 0.000 0.180 431 G C 0.062 174.962 174.900 -0.001 0.000 1.279 431 G CA -0.165 44.935 45.100 -0.001 0.000 0.987 431 G HN 0.419 nan 8.290 nan 0.000 0.589 432 Q N -0.376 119.423 119.800 -0.001 0.000 2.250 432 Q HA 0.118 4.458 4.340 -0.000 0.000 0.200 432 Q C -0.115 175.884 176.000 -0.002 0.000 0.941 432 Q CA 0.633 56.435 55.803 -0.002 0.000 0.872 432 Q CB 0.172 28.909 28.738 -0.002 0.000 0.965 432 Q HN 0.590 nan 8.270 nan 0.000 0.480 433 N N -1.501 117.198 118.700 -0.002 0.000 2.321 433 N HA 0.400 5.140 4.740 -0.000 0.000 0.290 433 N C -0.033 175.476 175.510 -0.001 0.000 1.212 433 N CA -0.029 53.020 53.050 -0.002 0.000 0.767 433 N CB 0.692 39.178 38.487 -0.002 0.000 1.494 433 N HN -0.073 nan 8.380 nan 0.000 0.479 434 A N 0.442 123.261 122.820 -0.001 0.000 1.915 434 A HA -0.257 4.062 4.320 -0.000 0.000 0.220 434 A C 1.021 178.604 177.584 -0.001 0.000 1.198 434 A CA 2.098 54.134 52.037 -0.001 0.000 0.647 434 A CB -1.016 17.983 19.000 -0.001 0.000 0.825 434 A HN 0.757 nan 8.150 nan 0.000 0.456 435 D N -1.174 119.225 120.400 -0.002 0.000 2.411 435 D HA -0.066 4.574 4.640 -0.000 0.000 0.226 435 D C 1.674 177.974 176.300 -0.001 0.000 0.988 435 D CA 1.016 55.015 54.000 -0.002 0.000 0.938 435 D CB -0.047 40.751 40.800 -0.002 0.000 0.883 435 D HN 0.733 nan 8.370 nan 0.000 0.525 436 Q N -0.993 118.807 119.800 -0.001 0.000 2.422 436 Q HA 0.094 4.434 4.340 -0.000 0.000 0.255 436 Q C 1.395 177.394 176.000 -0.001 0.000 0.864 436 Q CA -0.210 55.593 55.803 -0.001 0.000 0.968 436 Q CB 0.529 29.266 28.738 -0.001 0.000 1.130 436 Q HN 0.030 nan 8.270 nan 0.000 0.556 437 N N 0.144 118.843 118.700 -0.001 0.000 2.188 437 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 437 N C 1.661 177.171 175.510 0.000 0.000 1.018 437 N CA 1.026 54.076 53.050 -0.000 0.000 0.858 437 N CB 0.049 38.536 38.487 -0.000 0.000 0.989 437 N HN 0.044 nan 8.380 nan 0.000 0.426 438 V N 0.638 120.553 119.914 0.000 0.000 2.548 438 V HA -0.059 4.061 4.120 -0.000 0.000 0.249 438 V C 2.280 178.374 176.094 0.001 0.000 1.055 438 V CA 1.688 63.988 62.300 0.000 0.000 1.065 438 V CB -0.965 30.858 31.823 0.000 0.000 0.681 438 V HN 0.314 nan 8.190 nan 0.000 0.462 439 G N -0.515 108.285 108.800 0.000 0.000 2.535 439 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.218 439 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.218 439 G C 1.387 176.287 174.900 0.001 0.000 1.122 439 G CA 0.711 45.811 45.100 0.001 0.000 0.769 439 G HN 0.508 nan 8.290 nan 0.000 0.549 440 I N -0.517 120.053 120.570 0.001 0.000 2.834 440 I HA 0.052 4.222 4.170 -0.000 0.000 0.239 440 I C 2.381 178.499 176.117 0.001 0.000 1.073 440 I CA 0.167 61.468 61.300 0.001 0.000 1.459 440 I CB -0.111 37.889 38.000 0.001 0.000 1.288 440 I HN -0.163 nan 8.210 nan 0.000 0.455 441 K N 0.996 121.397 120.400 0.001 0.000 2.163 441 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 441 K C 2.058 178.659 176.600 0.002 0.000 1.048 441 K CA 1.214 57.502 56.287 0.002 0.000 0.928 441 K CB -0.985 31.516 32.500 0.001 0.000 0.716 441 K HN 0.199 nan 8.250 nan 0.000 0.459 442 V N 1.173 121.089 119.914 0.002 0.000 2.295 442 V HA -0.235 3.884 4.120 -0.000 0.000 0.246 442 V C 2.398 178.493 176.094 0.003 0.000 1.049 442 V CA 1.995 64.296 62.300 0.002 0.000 1.024 442 V CB -0.688 31.136 31.823 0.002 0.000 0.648 442 V HN 0.364 nan 8.190 nan 0.000 0.447 443 A N -0.848 121.974 122.820 0.003 0.000 2.070 443 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 443 A C 2.133 179.719 177.584 0.003 0.000 1.159 443 A CA 1.501 53.540 52.037 0.003 0.000 0.656 443 A CB -0.351 18.651 19.000 0.003 0.000 0.800 443 A HN 0.535 nan 8.150 nan 0.000 0.453 444 L N -1.578 119.646 121.223 0.003 0.000 2.071 444 L HA -0.014 4.326 4.340 -0.000 0.000 0.201 444 L C 2.631 179.503 176.870 0.003 0.000 1.076 444 L CA 1.240 56.082 54.840 0.003 0.000 0.755 444 L CB -0.583 41.478 42.059 0.003 0.000 0.915 444 L HN 0.373 nan 8.230 nan 0.000 0.445 445 R N 0.880 121.382 120.500 0.002 0.000 2.261 445 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 445 R C 1.669 177.970 176.300 0.000 0.000 1.141 445 R CA 1.292 57.392 56.100 0.001 0.000 1.001 445 R CB -0.087 30.214 30.300 0.001 0.000 0.866 445 R HN 0.384 nan 8.270 nan 0.000 0.468 446 A N -0.432 122.389 122.820 0.001 0.000 2.307 446 A HA 0.133 4.453 4.320 -0.000 0.000 0.218 446 A C 1.497 179.082 177.584 0.002 0.000 1.228 446 A CA -0.053 51.985 52.037 0.002 0.000 0.857 446 A CB 0.079 19.081 19.000 0.004 0.000 0.897 446 A HN 0.315 nan 8.150 nan 0.000 0.495 447 M N -1.368 118.233 119.600 0.002 0.000 2.461 447 M HA 0.110 4.590 4.480 -0.000 0.000 0.255 447 M C 1.093 177.393 176.300 0.000 0.000 1.137 447 M CA 0.465 55.766 55.300 0.003 0.000 1.086 447 M CB 0.116 32.718 32.600 0.004 0.000 1.356 447 M HN 0.332 nan 8.290 nan 0.000 0.487 448 E N 1.100 121.299 120.200 -0.002 0.000 2.511 448 E HA 0.021 4.371 4.350 -0.000 0.000 0.196 448 E C 1.744 178.336 176.600 -0.012 0.000 1.066 448 E CA 0.230 56.627 56.400 -0.007 0.000 0.871 448 E CB 0.119 29.815 29.700 -0.006 0.000 0.863 448 E HN 0.460 nan 8.360 nan 0.000 0.520 449 A N 2.082 124.897 122.820 -0.009 0.000 1.826 449 A HA -0.051 4.269 4.320 -0.000 0.000 0.214 449 A C -0.377 177.198 177.584 -0.015 0.000 1.212 449 A CA 0.689 52.720 52.037 -0.011 0.000 0.605 449 A CB -1.473 17.523 19.000 -0.005 0.000 0.861 449 A HN 0.079 nan 8.150 nan 0.000 0.447 450 P HA -0.215 nan 4.420 nan 0.000 0.219 450 P C 1.661 178.949 177.300 -0.020 0.000 1.158 450 P CA 1.456 64.549 63.100 -0.010 0.000 0.895 450 P CB -0.064 31.635 31.700 -0.003 0.000 0.792 451 L N -0.743 120.465 121.223 -0.025 0.000 1.961 451 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 451 L C 2.401 179.231 176.870 -0.067 0.000 1.075 451 L CA 1.738 56.551 54.840 -0.045 0.000 0.749 451 L CB -0.860 41.171 42.059 -0.047 0.000 0.890 451 L HN -0.294 nan 8.230 nan 0.000 0.433 452 R N -0.984 119.481 120.500 -0.060 0.000 2.228 452 R HA -0.300 4.040 4.340 -0.000 0.000 0.259 452 R C 2.224 178.488 176.300 -0.060 0.000 1.183 452 R CA 1.843 57.905 56.100 -0.063 0.000 1.002 452 R CB -0.299 29.977 30.300 -0.041 0.000 0.879 452 R HN 0.485 nan 8.270 nan 0.000 0.467 453 Q N 0.504 120.276 119.800 -0.047 0.000 2.013 453 Q HA 0.004 4.344 4.340 -0.000 0.000 0.195 453 Q C 1.875 177.849 176.000 -0.043 0.000 0.974 453 Q CA 1.380 57.160 55.803 -0.037 0.000 0.826 453 Q CB -0.043 28.681 28.738 -0.024 0.000 0.895 453 Q HN 0.322 nan 8.270 nan 0.000 0.448 454 I N 0.010 120.554 120.570 -0.042 0.000 2.248 454 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 454 I C 1.929 178.009 176.117 -0.062 0.000 1.107 454 I CA 0.912 62.191 61.300 -0.037 0.000 1.373 454 I CB -0.599 37.388 38.000 -0.022 0.000 1.055 454 I HN 0.016 nan 8.210 nan 0.000 0.418 455 V N 0.908 120.751 119.914 -0.118 0.000 2.867 455 V HA -0.201 3.919 4.120 -0.000 0.000 0.260 455 V C 2.197 178.227 176.094 -0.107 0.000 1.099 455 V CA 1.312 63.501 62.300 -0.184 0.000 1.122 455 V CB -0.382 31.278 31.823 -0.272 0.000 0.708 455 V HN 0.372 nan 8.190 nan 0.000 0.490 456 L N 0.119 121.301 121.223 -0.069 0.000 2.298 456 L HA 0.198 4.538 4.340 -0.000 0.000 0.209 456 L C 1.813 178.666 176.870 -0.028 0.000 1.084 456 L CA 1.288 56.101 54.840 -0.044 0.000 0.816 456 L CB -0.458 41.579 42.059 -0.036 0.000 0.967 456 L HN 0.249 nan 8.230 nan 0.000 0.460 457 N N -1.244 117.441 118.700 -0.025 0.000 2.575 457 N HA -0.058 4.682 4.740 -0.000 0.000 0.192 457 N C 0.667 176.173 175.510 -0.006 0.000 1.200 457 N CA 0.708 53.751 53.050 -0.013 0.000 0.897 457 N CB -0.346 38.135 38.487 -0.010 0.000 0.990 457 N HN 0.375 nan 8.380 nan 0.000 0.449 458 C N -1.533 117.761 119.300 -0.009 0.000 3.525 458 C HA 0.392 4.852 4.460 -0.000 0.000 0.289 458 C C 1.626 176.617 174.990 0.002 0.000 1.496 458 C CA -0.329 58.692 59.018 0.005 0.000 1.804 458 C CB -0.433 27.321 27.740 0.024 0.000 2.708 458 C HN 0.481 nan 8.230 nan 0.000 0.642 459 G N 1.769 110.564 108.800 -0.008 0.000 2.180 459 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.263 459 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.263 459 G C -0.253 174.643 174.900 -0.006 0.000 0.989 459 G CA 0.522 45.619 45.100 -0.006 0.000 0.692 459 G HN 0.568 nan 8.290 nan 0.000 0.526 460 E N 0.954 121.144 120.200 -0.017 0.000 2.156 460 E HA 0.282 4.632 4.350 -0.000 0.000 0.279 460 E C 0.437 177.010 176.600 -0.045 0.000 0.965 460 E CA -0.539 55.849 56.400 -0.020 0.000 0.789 460 E CB 0.774 30.464 29.700 -0.018 0.000 1.098 460 E HN 0.577 nan 8.360 nan 0.000 0.397 461 E N 4.226 124.411 120.200 -0.025 0.000 2.752 461 E HA -0.095 4.254 4.350 -0.000 0.000 0.241 461 E C -1.562 175.005 176.600 -0.054 0.000 1.016 461 E CA -0.822 55.561 56.400 -0.028 0.000 0.952 461 E CB 0.235 29.930 29.700 -0.008 0.000 0.921 461 E HN 0.207 nan 8.360 nan 0.000 0.515 462 P HA -0.145 nan 4.420 nan 0.000 0.219 462 P C 1.019 178.285 177.300 -0.057 0.000 1.150 462 P CA 0.832 63.880 63.100 -0.087 0.000 0.814 462 P CB 0.310 31.967 31.700 -0.071 0.000 0.787 463 S N -0.300 115.380 115.700 -0.034 0.000 2.390 463 S HA -0.183 4.287 4.470 -0.000 0.000 0.234 463 S C 1.926 176.519 174.600 -0.011 0.000 1.063 463 S CA 1.906 60.095 58.200 -0.018 0.000 1.108 463 S CB -1.610 61.584 63.200 -0.010 0.000 0.975 463 S HN -0.006 nan 8.310 nan 0.000 0.442 464 V N 1.281 121.192 119.914 -0.006 0.000 2.249 464 V HA -0.081 4.039 4.120 -0.000 0.000 0.239 464 V C 2.360 178.470 176.094 0.026 0.000 1.038 464 V CA 1.254 63.564 62.300 0.017 0.000 1.005 464 V CB -1.024 30.822 31.823 0.038 0.000 0.646 464 V HN 0.363 nan 8.190 nan 0.000 0.455 465 V N 0.734 120.649 119.914 0.003 0.000 2.353 465 V HA -0.400 3.720 4.120 -0.000 0.000 0.260 465 V C 2.613 178.707 176.094 -0.000 0.000 1.091 465 V CA 2.495 64.784 62.300 -0.018 0.000 1.088 465 V CB -1.350 30.251 31.823 -0.369 0.000 0.672 465 V HN 0.596 nan 8.190 nan 0.000 0.455 466 A N 0.231 123.030 122.820 -0.035 0.000 1.832 466 A HA -0.240 4.080 4.320 -0.000 0.000 0.214 466 A C 2.054 179.646 177.584 0.014 0.000 1.204 466 A CA 1.887 53.913 52.037 -0.018 0.000 0.606 466 A CB -0.910 18.073 19.000 -0.028 0.000 0.849 466 A HN 0.609 nan 8.150 nan 0.000 0.445 467 N N -0.526 118.182 118.700 0.012 0.000 2.111 467 N HA -0.193 4.547 4.740 -0.000 0.000 0.197 467 N C 1.597 177.124 175.510 0.028 0.000 1.011 467 N CA 2.742 55.803 53.050 0.018 0.000 0.880 467 N CB -0.528 37.968 38.487 0.015 0.000 1.031 467 N HN 0.391 nan 8.380 nan 0.000 0.444 468 T N -0.841 113.734 114.554 0.035 0.000 2.857 468 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 468 T C 1.829 176.554 174.700 0.041 0.000 1.048 468 T CA 1.088 63.197 62.100 0.015 0.000 1.139 468 T CB -0.228 68.614 68.868 -0.043 0.000 0.874 468 T HN 0.071 nan 8.240 nan 0.000 0.455 469 V N 1.393 121.338 119.914 0.052 0.000 2.626 469 V HA -0.122 3.998 4.120 -0.000 0.000 0.252 469 V C 2.375 178.525 176.094 0.094 0.000 1.067 469 V CA 1.443 63.765 62.300 0.037 0.000 1.081 469 V CB -0.438 31.403 31.823 0.030 0.000 0.686 469 V HN 0.451 nan 8.190 nan 0.000 0.468 470 K N 0.408 120.849 120.400 0.068 0.000 2.062 470 K HA -0.019 4.301 4.320 -0.000 0.000 0.205 470 K C 2.009 178.651 176.600 0.070 0.000 1.051 470 K CA 1.158 57.482 56.287 0.061 0.000 0.941 470 K CB -0.534 31.988 32.500 0.036 0.000 0.719 470 K HN 0.527 nan 8.250 nan 0.000 0.440 471 G N 0.724 109.564 108.800 0.066 0.000 2.959 471 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.203 471 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.203 471 G C 0.450 175.381 174.900 0.052 0.000 1.176 471 G CA 0.644 45.773 45.100 0.048 0.000 0.860 471 G HN 0.368 nan 8.290 nan 0.000 0.507 472 G N -0.455 108.405 108.800 0.101 0.000 3.291 472 G HA2 0.616 4.576 3.960 -0.000 0.000 0.173 472 G HA3 0.616 4.576 3.960 -0.000 0.000 0.173 472 G C -1.254 173.685 174.900 0.066 0.000 1.099 472 G CA 0.150 45.286 45.100 0.061 0.000 0.794 472 G HN 0.401 nan 8.290 nan 0.000 0.651 473 D N -3.113 117.339 120.400 0.088 0.000 2.858 473 D HA 0.517 5.157 4.640 -0.000 0.000 0.294 473 D C 0.412 176.766 176.300 0.091 0.000 1.261 473 D CA 0.666 54.710 54.000 0.073 0.000 0.746 473 D CB 0.322 41.137 40.800 0.025 0.000 1.259 473 D HN 1.946 nan 8.370 nan 0.000 0.426 474 G N 0.153 108.996 108.800 0.072 0.000 2.553 474 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.242 474 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.242 474 G C -0.157 174.805 174.900 0.103 0.000 1.277 474 G CA 0.079 45.222 45.100 0.073 0.000 0.910 474 G HN 0.795 nan 8.290 nan 0.000 0.576 475 N N -0.019 118.745 118.700 0.108 0.000 2.322 475 N HA 0.186 4.926 4.740 -0.000 0.000 0.216 475 N C 0.074 175.682 175.510 0.163 0.000 1.144 475 N CA -0.173 52.942 53.050 0.108 0.000 0.830 475 N CB 0.177 38.710 38.487 0.077 0.000 1.034 475 N HN 0.487 nan 8.380 nan 0.000 0.484 476 Y N 1.477 121.806 120.300 0.048 0.000 2.605 476 Y HA 0.278 4.828 4.550 -0.000 0.000 0.336 476 Y C 0.588 176.553 175.900 0.108 0.000 1.111 476 Y CA -0.210 57.932 58.100 0.069 0.000 1.422 476 Y CB -0.021 38.467 38.460 0.046 0.000 1.193 476 Y HN -0.026 nan 8.280 nan 0.000 0.526 477 G N 4.629 113.337 108.800 -0.154 0.000 3.247 477 G HA2 0.317 4.277 3.960 -0.000 0.000 0.226 477 G HA3 0.317 4.277 3.960 -0.000 0.000 0.226 477 G C -2.200 172.664 174.900 -0.060 0.000 1.220 477 G CA -0.869 44.152 45.100 -0.133 0.000 0.875 477 G HN 0.598 nan 8.290 nan 0.000 0.606 478 Y N 0.810 121.025 120.300 -0.141 0.000 2.373 478 Y HA 0.560 5.110 4.550 -0.000 0.000 0.336 478 Y C -0.646 175.125 175.900 -0.215 0.000 0.979 478 Y CA -1.203 56.724 58.100 -0.289 0.000 1.080 478 Y CB 1.846 40.086 38.460 -0.366 0.000 1.190 478 Y HN 0.444 nan 8.280 nan 0.000 0.446 479 N N 4.397 122.830 118.700 -0.444 0.000 2.430 479 N HA 0.221 4.961 4.740 -0.000 0.000 0.265 479 N C 0.509 175.831 175.510 -0.312 0.000 1.100 479 N CA 0.744 53.633 53.050 -0.269 0.000 0.961 479 N CB 1.816 40.151 38.487 -0.253 0.000 1.075 479 N HN 0.975 nan 8.380 nan 0.000 0.478 480 A N 4.484 127.321 122.820 0.029 0.000 1.858 480 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 480 A C 2.059 179.651 177.584 0.013 0.000 1.190 480 A CA 1.997 54.124 52.037 0.150 0.000 0.617 480 A CB -1.002 18.061 19.000 0.105 0.000 0.827 480 A HN 0.753 nan 8.150 nan 0.000 0.443 481 A N -0.440 122.358 122.820 -0.037 0.000 1.858 481 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 481 A C 2.485 180.016 177.584 -0.089 0.000 1.190 481 A CA 2.839 54.847 52.037 -0.048 0.000 0.617 481 A CB -1.490 17.486 19.000 -0.040 0.000 0.827 481 A HN 0.879 nan 8.150 nan 0.000 0.443 482 T N -3.431 111.037 114.554 -0.143 0.000 3.055 482 T HA 0.014 4.364 4.350 -0.000 0.000 0.265 482 T C 0.546 175.106 174.700 -0.233 0.000 1.111 482 T CA 1.130 63.133 62.100 -0.162 0.000 1.118 482 T CB -0.408 68.366 68.868 -0.157 0.000 0.909 482 T HN 0.595 nan 8.240 nan 0.000 0.501 483 E N 0.510 120.482 120.200 -0.381 0.000 2.791 483 E HA -0.129 4.221 4.350 -0.000 0.000 0.271 483 E C -0.791 175.449 176.600 -0.600 0.000 1.044 483 E CA 0.779 56.887 56.400 -0.486 0.000 0.814 483 E CB -1.147 28.457 29.700 -0.160 0.000 1.400 483 E HN 0.690 nan 8.360 nan 0.000 0.423 484 E N -0.470 119.332 120.200 -0.663 0.000 2.293 484 E HA 0.392 4.742 4.350 -0.000 0.000 0.270 484 E C -0.230 176.068 176.600 -0.504 0.000 0.879 484 E CA -0.625 55.508 56.400 -0.446 0.000 0.756 484 E CB 0.996 30.589 29.700 -0.179 0.000 1.208 484 E HN -0.017 nan 8.360 nan 0.000 0.428 485 Y N 0.531 120.719 120.300 -0.187 0.000 2.314 485 Y HA 0.569 5.119 4.550 -0.000 0.000 0.359 485 Y C 1.527 177.412 175.900 -0.025 0.000 1.360 485 Y CA 0.838 58.853 58.100 -0.141 0.000 1.697 485 Y CB 0.492 38.898 38.460 -0.091 0.000 1.630 485 Y HN 0.725 nan 8.280 nan 0.000 0.583 486 G N -0.318 108.642 108.800 0.267 0.000 2.315 486 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.296 486 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.296 486 G C -1.601 173.443 174.900 0.241 0.000 1.289 486 G CA -1.006 44.264 45.100 0.284 0.000 0.996 486 G HN 0.640 nan 8.290 nan 0.000 0.487 487 N N 1.291 120.094 118.700 0.171 0.000 2.399 487 N HA 0.135 4.875 4.740 -0.000 0.000 0.259 487 N C 1.913 177.469 175.510 0.076 0.000 1.160 487 N CA -0.412 52.717 53.050 0.130 0.000 0.946 487 N CB 0.541 39.084 38.487 0.093 0.000 1.156 487 N HN 0.441 nan 8.380 nan 0.000 0.489 488 M N 3.343 122.983 119.600 0.068 0.000 2.267 488 M HA -0.163 4.316 4.480 -0.000 0.000 0.263 488 M C 1.472 177.791 176.300 0.031 0.000 1.063 488 M CA 0.965 56.287 55.300 0.037 0.000 1.090 488 M CB -0.434 32.187 32.600 0.035 0.000 1.392 488 M HN 0.541 nan 8.290 nan 0.000 0.422 489 I N 0.165 120.757 120.570 0.038 0.000 2.333 489 I HA -0.207 3.963 4.170 -0.000 0.000 0.246 489 I C 1.893 178.024 176.117 0.024 0.000 1.106 489 I CA 1.214 62.532 61.300 0.029 0.000 1.411 489 I CB -1.290 36.729 38.000 0.031 0.000 1.082 489 I HN 0.216 nan 8.210 nan 0.000 0.420 490 D N 0.863 121.280 120.400 0.029 0.000 2.117 490 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 490 D C 2.175 178.485 176.300 0.016 0.000 0.987 490 D CA 1.120 55.133 54.000 0.023 0.000 0.829 490 D CB -0.153 40.664 40.800 0.028 0.000 0.961 490 D HN 0.287 nan 8.370 nan 0.000 0.460 491 M N -0.296 119.314 119.600 0.016 0.000 2.700 491 M HA 0.050 4.530 4.480 -0.000 0.000 0.249 491 M C 1.047 177.347 176.300 0.000 0.000 1.082 491 M CA 0.748 56.050 55.300 0.004 0.000 1.077 491 M CB -0.053 32.544 32.600 -0.005 0.000 1.477 491 M HN 0.082 nan 8.290 nan 0.000 0.529 492 G N 1.986 110.790 108.800 0.006 0.000 2.160 492 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 492 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 492 G C 0.015 174.918 174.900 0.005 0.000 1.008 492 G CA -0.160 44.944 45.100 0.005 0.000 0.724 492 G HN 0.542 nan 8.290 nan 0.000 0.514 493 I N 0.814 121.388 120.570 0.007 0.000 2.388 493 I HA 0.569 4.739 4.170 -0.000 0.000 0.281 493 I C 0.140 176.265 176.117 0.014 0.000 1.046 493 I CA -0.835 60.470 61.300 0.008 0.000 1.187 493 I CB 0.606 38.609 38.000 0.005 0.000 1.351 493 I HN 0.257 nan 8.210 nan 0.000 0.472 494 L N 3.742 124.973 121.223 0.014 0.000 2.710 494 L HA 0.709 5.049 4.340 -0.000 0.000 0.260 494 L C -1.706 175.174 176.870 0.016 0.000 0.993 494 L CA -0.802 54.048 54.840 0.016 0.000 0.877 494 L CB 1.788 43.858 42.059 0.017 0.000 1.461 494 L HN 0.107 nan 8.230 nan 0.000 0.413 495 D N -0.227 120.183 120.400 0.017 0.000 2.619 495 D HA 0.517 5.157 4.640 -0.000 0.000 0.241 495 D C -2.819 173.492 176.300 0.018 0.000 1.087 495 D CA -1.270 52.740 54.000 0.017 0.000 0.851 495 D CB 2.203 43.012 40.800 0.016 0.000 1.474 495 D HN 0.349 nan 8.370 nan 0.000 0.478 496 P HA -0.005 nan 4.420 nan 0.000 0.267 496 P C 0.882 178.193 177.300 0.017 0.000 1.201 496 P CA 0.160 63.272 63.100 0.021 0.000 0.775 496 P CB 0.620 32.336 31.700 0.027 0.000 0.854 497 T N 1.084 115.647 114.554 0.014 0.000 2.737 497 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 497 T C 1.643 176.348 174.700 0.008 0.000 1.038 497 T CA 1.094 63.200 62.100 0.010 0.000 1.144 497 T CB -0.394 68.478 68.868 0.007 0.000 0.866 497 T HN 0.481 nan 8.240 nan 0.000 0.434 498 K N 0.878 121.284 120.400 0.010 0.000 2.071 498 K HA -0.233 4.087 4.320 -0.000 0.000 0.217 498 K C 2.383 178.989 176.600 0.010 0.000 1.054 498 K CA 2.234 58.526 56.287 0.008 0.000 0.937 498 K CB -0.621 31.891 32.500 0.019 0.000 0.719 498 K HN 0.324 nan 8.250 nan 0.000 0.454 499 V N -0.403 119.524 119.914 0.021 0.000 2.270 499 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 499 V C 1.771 177.877 176.094 0.019 0.000 1.043 499 V CA 2.515 64.831 62.300 0.027 0.000 1.014 499 V CB -1.031 30.810 31.823 0.030 0.000 0.645 499 V HN 0.409 nan 8.190 nan 0.000 0.447 500 T N 0.158 114.720 114.554 0.014 0.000 2.946 500 T HA -0.155 4.195 4.350 -0.000 0.000 0.271 500 T C 1.794 176.495 174.700 0.001 0.000 1.104 500 T CA 1.998 64.104 62.100 0.011 0.000 1.114 500 T CB -0.385 68.489 68.868 0.010 0.000 0.867 500 T HN 0.695 nan 8.240 nan 0.000 0.513 501 R N 0.837 121.332 120.500 -0.009 0.000 2.046 501 R HA 0.008 4.348 4.340 -0.000 0.000 0.223 501 R C 2.630 178.898 176.300 -0.054 0.000 1.179 501 R CA 1.273 57.354 56.100 -0.031 0.000 0.952 501 R CB -0.502 29.775 30.300 -0.038 0.000 0.843 501 R HN 0.146 nan 8.270 nan 0.000 0.439 502 S N 0.952 116.614 115.700 -0.063 0.000 2.393 502 S HA -0.309 4.161 4.470 -0.000 0.000 0.235 502 S C 2.055 176.648 174.600 -0.011 0.000 1.061 502 S CA 1.824 59.962 58.200 -0.103 0.000 1.129 502 S CB -0.642 62.567 63.200 0.016 0.000 1.011 502 S HN 0.616 nan 8.310 nan 0.000 0.436 503 A N 0.719 123.572 122.820 0.054 0.000 1.948 503 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 503 A C 2.135 179.750 177.584 0.052 0.000 1.177 503 A CA 1.775 53.860 52.037 0.081 0.000 0.636 503 A CB -0.640 18.392 19.000 0.054 0.000 0.815 503 A HN 0.440 nan 8.150 nan 0.000 0.449 504 L N -0.514 120.716 121.223 0.011 0.000 2.156 504 L HA -0.112 4.227 4.340 -0.000 0.000 0.208 504 L C 2.383 179.247 176.870 -0.009 0.000 1.095 504 L CA 1.954 56.796 54.840 0.003 0.000 0.770 504 L CB -0.524 41.530 42.059 -0.008 0.000 0.914 504 L HN 0.508 nan 8.230 nan 0.000 0.439 505 Q N -1.688 118.078 119.800 -0.057 0.000 1.984 505 Q HA -0.164 4.176 4.340 -0.000 0.000 0.196 505 Q C 2.185 178.174 176.000 -0.019 0.000 0.975 505 Q CA 1.649 57.396 55.803 -0.094 0.000 0.827 505 Q CB -0.492 28.109 28.738 -0.228 0.000 0.894 505 Q HN 0.410 nan 8.270 nan 0.000 0.438 506 Y N 1.051 121.353 120.300 0.003 0.000 2.193 506 Y HA -0.263 4.287 4.550 -0.000 0.000 0.285 506 Y C 2.449 178.350 175.900 0.002 0.000 1.166 506 Y CA 0.996 59.097 58.100 0.002 0.000 1.181 506 Y CB -0.965 37.496 38.460 0.002 0.000 0.976 506 Y HN 0.192 nan 8.280 nan 0.000 0.520 507 A N -0.087 122.829 122.820 0.160 0.000 1.877 507 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 507 A C 2.536 180.160 177.584 0.066 0.000 1.186 507 A CA 2.066 54.157 52.037 0.089 0.000 0.620 507 A CB -1.264 17.772 19.000 0.059 0.000 0.822 507 A HN 0.403 nan 8.150 nan 0.000 0.443 508 A N -0.644 122.209 122.820 0.055 0.000 1.877 508 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 508 A C 2.454 180.064 177.584 0.044 0.000 1.186 508 A CA 2.315 54.374 52.037 0.036 0.000 0.620 508 A CB -1.224 17.786 19.000 0.018 0.000 0.822 508 A HN 0.681 nan 8.150 nan 0.000 0.443 509 S N -0.544 115.197 115.700 0.068 0.000 2.427 509 S HA -0.224 4.246 4.470 -0.000 0.000 0.231 509 S C 1.904 176.537 174.600 0.056 0.000 1.045 509 S CA 2.396 60.641 58.200 0.074 0.000 1.154 509 S CB -0.947 62.335 63.200 0.135 0.000 1.093 509 S HN 0.403 nan 8.310 nan 0.000 0.422 510 V N 2.869 122.819 119.914 0.061 0.000 2.215 510 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 510 V C 2.944 179.054 176.094 0.026 0.000 1.054 510 V CA 2.451 64.772 62.300 0.036 0.000 1.012 510 V CB -1.713 30.128 31.823 0.030 0.000 0.639 510 V HN 0.752 nan 8.190 nan 0.000 0.448 511 A N 0.196 123.031 122.820 0.026 0.000 1.954 511 A HA -0.286 4.034 4.320 -0.000 0.000 0.222 511 A C 2.349 179.941 177.584 0.014 0.000 1.199 511 A CA 2.720 54.767 52.037 0.018 0.000 0.657 511 A CB -1.538 17.473 19.000 0.018 0.000 0.823 511 A HN 0.667 nan 8.150 nan 0.000 0.463 512 G N -0.175 108.635 108.800 0.018 0.000 2.639 512 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 512 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 512 G C 1.515 176.421 174.900 0.011 0.000 1.267 512 G CA 1.199 46.307 45.100 0.013 0.000 0.801 512 G HN 0.501 nan 8.290 nan 0.000 0.592 513 L N -0.198 121.033 121.223 0.013 0.000 2.030 513 L HA -0.276 4.064 4.340 -0.000 0.000 0.222 513 L C 3.150 180.023 176.870 0.005 0.000 1.082 513 L CA 1.952 56.798 54.840 0.010 0.000 0.785 513 L CB -0.613 41.453 42.059 0.013 0.000 0.895 513 L HN 0.270 nan 8.230 nan 0.000 0.439 514 M N -0.557 119.046 119.600 0.005 0.000 2.159 514 M HA -0.195 4.285 4.480 -0.000 0.000 0.263 514 M C 2.212 178.510 176.300 -0.002 0.000 1.063 514 M CA 1.762 57.061 55.300 -0.001 0.000 1.110 514 M CB -0.348 32.252 32.600 0.000 0.000 1.374 514 M HN 0.239 nan 8.290 nan 0.000 0.411 515 I N -0.416 120.154 120.570 0.001 0.000 2.830 515 I HA -0.137 4.033 4.170 -0.000 0.000 0.263 515 I C 1.282 177.398 176.117 -0.002 0.000 1.230 515 I CA 0.947 62.247 61.300 -0.000 0.000 1.480 515 I CB -0.537 37.464 38.000 0.002 0.000 1.095 515 I HN 0.321 nan 8.210 nan 0.000 0.455 516 T N -2.575 111.978 114.554 -0.001 0.000 3.268 516 T HA 0.281 4.631 4.350 -0.000 0.000 0.258 516 T C 0.204 174.902 174.700 -0.004 0.000 0.966 516 T CA -0.403 61.695 62.100 -0.003 0.000 0.952 516 T CB -0.205 68.663 68.868 -0.001 0.000 1.132 516 T HN -0.106 nan 8.240 nan 0.000 0.536 517 T N 1.465 116.016 114.554 -0.005 0.000 2.841 517 T HA 0.458 4.808 4.350 -0.000 0.000 0.283 517 T C 0.266 174.966 174.700 -0.001 0.000 1.000 517 T CA -0.652 61.445 62.100 -0.004 0.000 0.977 517 T CB 2.147 71.009 68.868 -0.011 0.000 0.979 517 T HN 0.087 nan 8.240 nan 0.000 0.446 518 E N 0.327 120.534 120.200 0.011 0.000 2.541 518 E HA 0.188 4.538 4.350 -0.000 0.000 0.219 518 E C -0.012 176.663 176.600 0.124 0.000 0.922 518 E CA 0.104 56.522 56.400 0.030 0.000 1.095 518 E CB 0.928 30.618 29.700 -0.016 0.000 1.112 518 E HN 0.557 nan 8.360 nan 0.000 0.516 519 C N 0.966 120.337 119.300 0.119 0.000 2.686 519 C HA 0.691 5.151 4.460 -0.000 0.000 0.318 519 C C -1.305 173.706 174.990 0.034 0.000 1.160 519 C CA -0.581 58.572 59.018 0.225 0.000 1.396 519 C CB 0.360 28.314 27.740 0.357 0.000 1.924 519 C HN 0.105 nan 8.230 nan 0.000 0.471 520 M N 5.262 124.801 119.600 -0.101 0.000 2.395 520 M HA 0.560 5.039 4.480 -0.000 0.000 0.307 520 M C -1.174 175.059 176.300 -0.113 0.000 1.091 520 M CA -0.634 54.555 55.300 -0.185 0.000 0.919 520 M CB 2.157 34.462 32.600 -0.492 0.000 1.662 520 M HN 0.369 nan 8.290 nan 0.000 0.440 521 V N 1.687 121.617 119.914 0.026 0.000 2.357 521 V HA 0.489 4.609 4.120 -0.000 0.000 0.281 521 V C -0.357 175.826 176.094 0.148 0.000 1.015 521 V CA -0.319 62.036 62.300 0.092 0.000 0.827 521 V CB 1.712 33.572 31.823 0.063 0.000 1.018 521 V HN 0.968 nan 8.190 nan 0.000 0.432 522 T N 2.401 117.090 114.554 0.224 0.000 2.907 522 T HA 0.486 4.836 4.350 -0.000 0.000 0.290 522 T C -0.432 174.287 174.700 0.031 0.000 1.066 522 T CA -0.472 61.706 62.100 0.130 0.000 1.012 522 T CB 1.751 70.705 68.868 0.143 0.000 1.184 522 T HN 0.630 nan 8.240 nan 0.000 0.522 523 D N 0.948 121.344 120.400 -0.007 0.000 2.335 523 D HA 0.282 4.922 4.640 -0.000 0.000 0.236 523 D C -0.251 176.006 176.300 -0.071 0.000 1.297 523 D CA -0.031 53.951 54.000 -0.030 0.000 0.906 523 D CB 0.247 41.030 40.800 -0.029 0.000 1.164 523 D HN 0.189 nan 8.370 nan 0.000 0.469 524 L N 2.127 123.313 121.223 -0.062 0.000 2.350 524 L HA 0.281 4.621 4.340 -0.000 0.000 0.275 524 L C -1.777 175.039 176.870 -0.089 0.000 1.099 524 L CA -1.918 52.873 54.840 -0.081 0.000 0.808 524 L CB 0.845 42.872 42.059 -0.053 0.000 1.149 524 L HN 0.303 nan 8.230 nan 0.000 0.442 525 P HA -0.073 nan 4.420 nan 0.000 0.314 525 P C -0.832 176.427 177.300 -0.068 0.000 1.521 525 P CA 0.788 63.827 63.100 -0.101 0.000 0.754 525 P CB -0.235 31.396 31.700 -0.115 0.000 1.692 526 K N 0.000 120.366 120.400 -0.056 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.262 56.287 -0.041 0.000 0.838 526 K CB 0.000 32.479 32.500 -0.036 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543