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 1gru_1_K DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV 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 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 3 A N 3.485 126.303 122.820 -0.004 0.000 2.450 3 A HA 0.612 4.932 4.320 -0.000 0.000 0.255 3 A C 0.384 177.966 177.584 -0.004 0.000 1.096 3 A CA -0.032 52.005 52.037 0.002 0.000 0.778 3 A CB 0.188 19.191 19.000 0.005 0.000 1.031 3 A HN 0.604 nan 8.150 nan 0.000 0.494 4 K N 1.431 121.834 120.400 0.005 0.000 2.109 4 K HA 0.423 4.743 4.320 -0.000 0.000 0.243 4 K C -0.858 175.755 176.600 0.022 0.000 1.006 4 K CA -0.638 55.649 56.287 0.000 0.000 0.917 4 K CB 0.969 33.475 32.500 0.009 0.000 1.081 4 K HN 0.723 nan 8.250 nan 0.000 0.468 5 D N 0.567 120.979 120.400 0.020 0.000 2.375 5 D HA 0.367 5.007 4.640 -0.000 0.000 0.247 5 D C -1.370 175.077 176.300 0.244 0.000 1.061 5 D CA -0.652 53.404 54.000 0.094 0.000 0.834 5 D CB 1.296 42.096 40.800 0.000 0.000 1.247 5 D HN 0.063 nan 8.370 nan 0.000 0.489 6 V N 4.224 124.287 119.914 0.248 0.000 2.588 6 V HA 0.469 4.589 4.120 -0.000 0.000 0.304 6 V C 0.097 176.238 176.094 0.078 0.000 1.042 6 V CA -0.808 61.588 62.300 0.159 0.000 0.877 6 V CB 1.875 33.724 31.823 0.042 0.000 0.996 6 V HN 0.416 nan 8.190 nan 0.000 0.425 7 K N 3.304 123.574 120.400 -0.216 0.000 2.340 7 K HA 0.790 5.110 4.320 -0.000 0.000 0.244 7 K C -1.578 174.801 176.600 -0.369 0.000 0.973 7 K CA -0.562 55.573 56.287 -0.252 0.000 0.828 7 K CB 2.456 34.592 32.500 -0.606 0.000 1.226 7 K HN 0.423 nan 8.250 nan 0.000 0.437 8 F N -0.523 119.345 119.950 -0.138 0.000 2.631 8 F HA 0.400 4.927 4.527 -0.000 0.000 0.328 8 F C 1.327 177.071 175.800 -0.093 0.000 1.067 8 F CA -0.056 57.887 58.000 -0.095 0.000 0.969 8 F CB 1.095 40.062 39.000 -0.055 0.000 1.332 8 F HN 0.810 nan 8.300 nan 0.000 0.490 9 G N 1.586 110.477 108.800 0.151 0.000 2.672 9 G HA2 -0.465 3.495 3.960 -0.000 0.000 0.356 9 G HA3 -0.465 3.495 3.960 -0.000 0.000 0.356 9 G C 1.094 175.998 174.900 0.006 0.000 1.312 9 G CA 1.364 46.500 45.100 0.060 0.000 0.980 9 G HN 0.694 nan 8.290 nan 0.000 0.540 10 N N 1.252 119.954 118.700 0.003 0.000 2.025 10 N HA -0.046 4.694 4.740 -0.000 0.000 0.194 10 N C 1.838 177.325 175.510 -0.040 0.000 1.044 10 N CA 1.899 54.939 53.050 -0.016 0.000 0.851 10 N CB -0.657 37.825 38.487 -0.008 0.000 1.036 10 N HN 0.617 nan 8.380 nan 0.000 0.422 11 D N 0.162 120.542 120.400 -0.033 0.000 2.191 11 D HA -0.246 4.394 4.640 -0.000 0.000 0.190 11 D C 1.739 177.945 176.300 -0.158 0.000 1.007 11 D CA 1.960 55.920 54.000 -0.067 0.000 0.865 11 D CB -0.482 40.295 40.800 -0.038 0.000 0.929 11 D HN 0.384 nan 8.370 nan 0.000 0.447 12 A N 0.404 123.114 122.820 -0.184 0.000 1.832 12 A HA -0.160 4.160 4.320 -0.000 0.000 0.214 12 A C 2.153 179.628 177.584 -0.182 0.000 1.200 12 A CA 1.602 53.463 52.037 -0.292 0.000 0.610 12 A CB -0.527 18.320 19.000 -0.256 0.000 0.842 12 A HN 0.089 nan 8.150 nan 0.000 0.444 13 R N -0.596 119.842 120.500 -0.103 0.000 2.097 13 R HA -0.154 4.186 4.340 -0.000 0.000 0.236 13 R C 2.071 178.342 176.300 -0.048 0.000 1.135 13 R CA 1.743 57.806 56.100 -0.062 0.000 0.934 13 R CB -0.996 29.282 30.300 -0.036 0.000 0.846 13 R HN 0.372 nan 8.270 nan 0.000 0.431 14 V N 1.862 121.749 119.914 -0.044 0.000 2.250 14 V HA -0.345 3.775 4.120 -0.000 0.000 0.253 14 V C 2.414 178.496 176.094 -0.021 0.000 1.065 14 V CA 1.858 64.142 62.300 -0.027 0.000 1.039 14 V CB -0.493 31.316 31.823 -0.023 0.000 0.647 14 V HN 0.289 nan 8.190 nan 0.000 0.446 15 K N -0.734 119.644 120.400 -0.038 0.000 2.009 15 K HA -0.143 4.177 4.320 -0.000 0.000 0.210 15 K C 2.147 178.757 176.600 0.016 0.000 1.049 15 K CA 1.785 58.072 56.287 -0.000 0.000 0.929 15 K CB -0.620 31.873 32.500 -0.011 0.000 0.714 15 K HN 0.429 nan 8.250 nan 0.000 0.440 16 M N 0.206 119.801 119.600 -0.009 0.000 2.144 16 M HA -0.224 4.256 4.480 -0.000 0.000 0.260 16 M C 2.182 178.486 176.300 0.007 0.000 1.067 16 M CA 1.214 56.517 55.300 0.005 0.000 1.095 16 M CB -0.306 32.286 32.600 -0.014 0.000 1.365 16 M HN 0.054 nan 8.290 nan 0.000 0.406 17 L N 0.390 121.613 121.223 -0.001 0.000 1.988 17 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 17 L C 2.354 179.229 176.870 0.007 0.000 1.071 17 L CA 1.907 56.748 54.840 0.002 0.000 0.744 17 L CB -0.649 41.409 42.059 -0.002 0.000 0.893 17 L HN 0.154 nan 8.230 nan 0.000 0.433 18 R N -0.476 120.030 120.500 0.010 0.000 2.097 18 R HA -0.159 4.181 4.340 -0.000 0.000 0.236 18 R C 2.196 178.506 176.300 0.017 0.000 1.135 18 R CA 1.423 57.531 56.100 0.014 0.000 0.934 18 R CB -1.421 28.890 30.300 0.019 0.000 0.846 18 R HN 0.590 nan 8.270 nan 0.000 0.431 19 G N 1.025 109.840 108.800 0.024 0.000 2.672 19 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.218 19 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.218 19 G C 1.445 176.354 174.900 0.015 0.000 1.238 19 G CA 1.372 46.487 45.100 0.025 0.000 0.791 19 G HN 0.304 nan 8.290 nan 0.000 0.606 20 V N 1.334 121.255 119.914 0.012 0.000 2.231 20 V HA -0.336 3.784 4.120 -0.000 0.000 0.250 20 V C 2.303 178.400 176.094 0.005 0.000 1.058 20 V CA 3.129 65.433 62.300 0.007 0.000 1.022 20 V CB -1.087 30.739 31.823 0.005 0.000 0.640 20 V HN 0.629 nan 8.190 nan 0.000 0.445 21 N N -0.540 118.163 118.700 0.006 0.000 2.106 21 N HA -0.266 4.474 4.740 -0.000 0.000 0.200 21 N C 1.784 177.297 175.510 0.005 0.000 1.014 21 N CA 2.391 55.444 53.050 0.005 0.000 0.891 21 N CB -0.453 38.037 38.487 0.006 0.000 1.069 21 N HN 0.472 nan 8.380 nan 0.000 0.490 22 V N 1.988 121.905 119.914 0.006 0.000 2.231 22 V HA -0.280 3.840 4.120 -0.000 0.000 0.250 22 V C 2.301 178.397 176.094 0.002 0.000 1.058 22 V CA 1.658 63.961 62.300 0.004 0.000 1.022 22 V CB -0.821 31.005 31.823 0.005 0.000 0.640 22 V HN 0.423 nan 8.190 nan 0.000 0.445 23 L N 0.219 121.443 121.223 0.002 0.000 1.978 23 L HA -0.282 4.058 4.340 -0.000 0.000 0.218 23 L C 2.531 179.401 176.870 -0.001 0.000 1.075 23 L CA 3.112 57.951 54.840 -0.001 0.000 0.767 23 L CB -1.303 40.754 42.059 -0.002 0.000 0.890 23 L HN 0.400 nan 8.230 nan 0.000 0.434 24 A N -0.455 122.365 122.820 0.001 0.000 1.858 24 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 24 A C 1.879 179.464 177.584 0.002 0.000 1.190 24 A CA 1.795 53.833 52.037 0.001 0.000 0.617 24 A CB -0.777 18.224 19.000 0.003 0.000 0.827 24 A HN 0.582 nan 8.150 nan 0.000 0.443 25 D N -0.103 120.298 120.400 0.002 0.000 2.218 25 D HA -0.041 4.599 4.640 -0.000 0.000 0.204 25 D C 2.017 178.318 176.300 0.001 0.000 0.976 25 D CA 1.356 55.358 54.000 0.002 0.000 0.853 25 D CB -0.171 40.630 40.800 0.003 0.000 0.939 25 D HN 0.469 nan 8.370 nan 0.000 0.481 26 A N 0.174 122.994 122.820 0.001 0.000 1.943 26 A HA 0.003 4.323 4.320 -0.000 0.000 0.213 26 A C 2.195 179.778 177.584 -0.001 0.000 1.181 26 A CA 0.475 52.512 52.037 -0.000 0.000 0.653 26 A CB -0.147 18.853 19.000 -0.001 0.000 0.833 26 A HN 0.173 nan 8.150 nan 0.000 0.451 27 V N 0.829 120.742 119.914 -0.001 0.000 3.354 27 V HA -0.060 4.060 4.120 -0.000 0.000 0.258 27 V C 2.213 178.306 176.094 -0.001 0.000 1.159 27 V CA 1.769 64.067 62.300 -0.002 0.000 1.125 27 V CB -0.411 31.410 31.823 -0.004 0.000 0.774 27 V HN 0.766 nan 8.190 nan 0.000 0.464 28 K N 0.724 121.124 120.400 -0.000 0.000 2.217 28 K HA -0.059 4.261 4.320 -0.000 0.000 0.202 28 K C 1.728 178.329 176.600 0.001 0.000 1.051 28 K CA 1.746 58.033 56.287 0.001 0.000 0.952 28 K CB -0.831 31.670 32.500 0.002 0.000 0.736 28 K HN 0.471 nan 8.250 nan 0.000 0.453 29 V N 0.419 120.333 119.914 0.001 0.000 3.026 29 V HA -0.120 4.000 4.120 -0.000 0.000 0.265 29 V C 1.680 177.774 176.094 -0.001 0.000 1.121 29 V CA 1.687 63.987 62.300 0.001 0.000 1.142 29 V CB -1.298 30.525 31.823 0.001 0.000 0.730 29 V HN 0.553 nan 8.190 nan 0.000 0.503 30 T N -3.647 110.906 114.554 -0.002 0.000 3.214 30 T HA 0.320 4.670 4.350 -0.000 0.000 0.264 30 T C 1.098 175.795 174.700 -0.005 0.000 1.012 30 T CA 0.215 62.313 62.100 -0.003 0.000 0.901 30 T CB 0.631 69.497 68.868 -0.004 0.000 1.070 30 T HN 0.307 nan 8.240 nan 0.000 0.561 31 L N 2.603 123.824 121.223 -0.004 0.000 2.022 31 L HA 0.465 4.805 4.340 -0.000 0.000 0.204 31 L C 1.646 178.510 176.870 -0.010 0.000 1.076 31 L CA 1.417 56.253 54.840 -0.006 0.000 0.749 31 L CB -1.330 40.728 42.059 -0.003 0.000 0.903 31 L HN 0.435 nan 8.230 nan 0.000 0.439 32 G N -0.475 108.319 108.800 -0.009 0.000 2.825 32 G HA2 0.033 3.993 3.960 -0.000 0.000 0.241 32 G HA3 0.033 3.993 3.960 -0.000 0.000 0.241 32 G C -1.716 173.170 174.900 -0.023 0.000 1.239 32 G CA 0.094 45.185 45.100 -0.017 0.000 0.859 32 G HN 0.423 nan 8.290 nan 0.000 0.598 33 P HA 0.002 nan 4.420 nan 0.000 0.225 33 P C 0.595 177.877 177.300 -0.029 0.000 1.156 33 P CA 1.052 64.130 63.100 -0.036 0.000 0.787 33 P CB 0.385 32.052 31.700 -0.055 0.000 0.802 34 K N 0.758 121.143 120.400 -0.026 0.000 3.095 34 K HA 0.323 4.643 4.320 -0.000 0.000 0.220 34 K C 0.841 177.435 176.600 -0.009 0.000 1.216 34 K CA -0.433 55.844 56.287 -0.017 0.000 1.167 34 K CB 0.493 32.984 32.500 -0.015 0.000 1.199 34 K HN 0.031 nan 8.250 nan 0.000 0.458 35 G N 0.915 109.710 108.800 -0.010 0.000 2.539 35 G HA2 0.145 4.105 3.960 -0.000 0.000 0.258 35 G HA3 0.145 4.105 3.960 -0.000 0.000 0.258 35 G C 0.136 175.034 174.900 -0.004 0.000 1.202 35 G CA -0.566 44.530 45.100 -0.006 0.000 0.851 35 G HN 0.174 nan 8.290 nan 0.000 0.556 36 R N -0.289 120.210 120.500 -0.002 0.000 2.541 36 R HA 0.262 4.602 4.340 -0.000 0.000 0.263 36 R C 0.494 176.793 176.300 -0.002 0.000 1.112 36 R CA -0.521 55.578 56.100 -0.001 0.000 1.170 36 R CB 0.332 30.632 30.300 0.000 0.000 1.167 36 R HN 0.861 nan 8.270 nan 0.000 0.582 37 N N -1.194 117.506 118.700 -0.001 0.000 2.362 37 N HA 0.503 5.243 4.740 -0.000 0.000 0.299 37 N C -0.956 174.553 175.510 -0.000 0.000 1.170 37 N CA -0.824 52.225 53.050 -0.001 0.000 0.825 37 N CB 1.785 40.271 38.487 -0.001 0.000 1.299 37 N HN 0.041 nan 8.380 nan 0.000 0.502 38 V N 0.771 120.685 119.914 -0.000 0.000 2.769 38 V HA 0.399 4.519 4.120 -0.000 0.000 0.312 38 V C -0.152 175.942 176.094 0.000 0.000 1.058 38 V CA -0.821 61.479 62.300 -0.000 0.000 0.952 38 V CB 1.978 33.801 31.823 -0.001 0.000 1.019 38 V HN 0.487 nan 8.190 nan 0.000 0.445 39 V N 4.642 124.556 119.914 0.000 0.000 2.357 39 V HA 0.397 4.517 4.120 -0.000 0.000 0.284 39 V C -0.631 175.463 176.094 0.001 0.000 1.018 39 V CA -0.522 61.779 62.300 0.001 0.000 0.841 39 V CB 1.479 33.302 31.823 0.001 0.000 0.991 39 V HN 0.493 nan 8.190 nan 0.000 0.437 40 L N 3.863 125.088 121.223 0.003 0.000 2.264 40 L HA 0.427 4.767 4.340 -0.000 0.000 0.287 40 L C 0.077 176.951 176.870 0.007 0.000 1.039 40 L CA -0.228 54.615 54.840 0.004 0.000 0.829 40 L CB 0.823 42.885 42.059 0.005 0.000 1.211 40 L HN 0.642 nan 8.230 nan 0.000 0.427 41 D N 3.379 123.780 120.400 0.003 0.000 2.450 41 D HA 0.047 4.687 4.640 -0.000 0.000 0.247 41 D C 0.034 176.340 176.300 0.009 0.000 1.162 41 D CA 0.554 54.555 54.000 0.002 0.000 0.879 41 D CB 0.860 41.655 40.800 -0.008 0.000 1.163 41 D HN 0.307 nan 8.370 nan 0.000 0.472 42 K N 2.074 122.486 120.400 0.020 0.000 2.130 42 K HA 0.227 4.547 4.320 -0.000 0.000 0.268 42 K C 1.058 177.675 176.600 0.029 0.000 0.983 42 K CA -0.594 55.721 56.287 0.047 0.000 0.893 42 K CB 1.327 33.870 32.500 0.072 0.000 1.066 42 K HN 0.375 nan 8.250 nan 0.000 0.450 43 S N 2.083 117.804 115.700 0.036 0.000 2.353 43 S HA -0.088 4.382 4.470 -0.000 0.000 0.222 43 S C 0.299 174.756 174.600 -0.238 0.000 1.035 43 S CA 1.242 59.355 58.200 -0.145 0.000 1.025 43 S CB -0.142 62.921 63.200 -0.228 0.000 0.902 43 S HN 0.393 nan 8.310 nan 0.000 0.440 44 F N 1.508 121.455 119.950 -0.006 0.000 2.404 44 F HA 0.618 5.145 4.527 -0.000 0.000 0.354 44 F C 1.107 176.904 175.800 -0.005 0.000 1.122 44 F CA -0.110 57.887 58.000 -0.005 0.000 1.080 44 F CB 0.610 39.607 39.000 -0.005 0.000 1.131 44 F HN 0.410 nan 8.300 nan 0.000 0.471 45 G N 1.401 110.283 108.800 0.138 0.000 2.568 45 G HA2 0.149 4.109 3.960 -0.000 0.000 0.222 45 G HA3 0.149 4.109 3.960 -0.000 0.000 0.222 45 G C -0.496 174.433 174.900 0.049 0.000 1.321 45 G CA -0.672 44.479 45.100 0.086 0.000 0.893 45 G HN 1.088 nan 8.290 nan 0.000 0.569 46 A N 2.013 124.857 122.820 0.040 0.000 2.462 46 A HA 0.662 4.982 4.320 -0.000 0.000 0.243 46 A C -0.584 177.015 177.584 0.025 0.000 1.076 46 A CA 0.209 52.261 52.037 0.025 0.000 0.773 46 A CB -0.212 18.800 19.000 0.020 0.000 1.010 46 A HN 0.919 nan 8.150 nan 0.000 0.493 47 P HA 0.163 nan 4.420 nan 0.000 0.271 47 P C -0.408 176.900 177.300 0.014 0.000 1.244 47 P CA 0.084 63.192 63.100 0.013 0.000 0.793 47 P CB 0.394 32.098 31.700 0.006 0.000 0.984 48 T N 1.185 115.746 114.554 0.012 0.000 2.792 48 T HA 0.512 4.862 4.350 -0.000 0.000 0.280 48 T C 0.283 174.987 174.700 0.007 0.000 0.990 48 T CA -0.345 61.761 62.100 0.011 0.000 0.960 48 T CB 0.315 69.190 68.868 0.012 0.000 0.939 48 T HN 0.195 nan 8.240 nan 0.000 0.439 49 I N 2.554 123.127 120.570 0.005 0.000 2.437 49 I HA 0.657 4.827 4.170 -0.000 0.000 0.298 49 I C 0.543 176.661 176.117 0.002 0.000 0.984 49 I CA -0.425 60.877 61.300 0.003 0.000 1.214 49 I CB 1.854 39.855 38.000 0.003 0.000 1.365 49 I HN 0.541 nan 8.210 nan 0.000 0.469 50 T N 3.842 118.396 114.554 0.001 0.000 2.775 50 T HA 0.326 4.676 4.350 -0.000 0.000 0.320 50 T C -0.603 174.096 174.700 -0.001 0.000 1.597 50 T CA -0.674 61.426 62.100 0.000 0.000 1.022 50 T CB 1.504 70.373 68.868 0.001 0.000 1.485 50 T HN 0.701 nan 8.240 nan 0.000 0.494 51 K N 1.073 121.471 120.400 -0.002 0.000 2.506 51 K HA 0.220 4.540 4.320 -0.000 0.000 0.204 51 K C -0.780 175.818 176.600 -0.004 0.000 1.045 51 K CA -0.324 55.961 56.287 -0.003 0.000 1.074 51 K CB 0.563 33.061 32.500 -0.004 0.000 0.842 51 K HN 0.435 nan 8.250 nan 0.000 0.514 52 D N 0.440 120.838 120.400 -0.003 0.000 2.411 52 D HA 0.114 4.754 4.640 -0.000 0.000 0.225 52 D C 1.243 177.540 176.300 -0.005 0.000 1.156 52 D CA -0.173 53.824 54.000 -0.004 0.000 0.874 52 D CB 1.120 41.918 40.800 -0.003 0.000 1.034 52 D HN 0.196 nan 8.370 nan 0.000 0.502 53 G N 2.531 111.327 108.800 -0.006 0.000 2.513 53 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 53 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 53 G C 1.598 176.494 174.900 -0.008 0.000 1.160 53 G CA 0.920 46.017 45.100 -0.006 0.000 0.767 53 G HN 0.485 nan 8.290 nan 0.000 0.571 54 V N 0.922 120.830 119.914 -0.010 0.000 2.282 54 V HA -0.249 3.871 4.120 -0.000 0.000 0.249 54 V C 3.150 179.239 176.094 -0.009 0.000 1.057 54 V CA 2.448 64.742 62.300 -0.012 0.000 1.032 54 V CB -0.719 31.096 31.823 -0.013 0.000 0.645 54 V HN 0.406 nan 8.190 nan 0.000 0.447 55 S N -0.578 115.119 115.700 -0.006 0.000 2.343 55 S HA -0.175 4.295 4.470 -0.000 0.000 0.219 55 S C 1.972 176.569 174.600 -0.004 0.000 1.033 55 S CA 1.557 59.755 58.200 -0.003 0.000 1.014 55 S CB -0.314 62.885 63.200 -0.001 0.000 0.915 55 S HN 0.343 nan 8.310 nan 0.000 0.435 56 V N 2.400 122.312 119.914 -0.004 0.000 2.215 56 V HA -0.340 3.780 4.120 -0.000 0.000 0.249 56 V C 2.684 178.774 176.094 -0.005 0.000 1.054 56 V CA 2.088 64.386 62.300 -0.004 0.000 1.012 56 V CB -1.446 30.375 31.823 -0.004 0.000 0.639 56 V HN 0.573 nan 8.190 nan 0.000 0.448 57 A N -0.090 122.726 122.820 -0.007 0.000 1.909 57 A HA -0.411 3.909 4.320 -0.000 0.000 0.221 57 A C 2.348 179.926 177.584 -0.010 0.000 1.223 57 A CA 3.060 55.091 52.037 -0.010 0.000 0.658 57 A CB -0.877 18.115 19.000 -0.013 0.000 0.831 57 A HN 0.580 nan 8.150 nan 0.000 0.462 58 R N -0.672 119.822 120.500 -0.010 0.000 2.140 58 R HA -0.259 4.081 4.340 -0.000 0.000 0.250 58 R C 1.906 178.201 176.300 -0.009 0.000 1.150 58 R CA 2.221 58.315 56.100 -0.010 0.000 0.966 58 R CB -0.286 30.009 30.300 -0.007 0.000 0.869 58 R HN 0.514 nan 8.270 nan 0.000 0.445 59 E N -0.039 120.157 120.200 -0.006 0.000 2.358 59 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 59 E C -0.070 176.526 176.600 -0.007 0.000 1.010 59 E CA 0.184 56.581 56.400 -0.005 0.000 0.856 59 E CB 0.138 29.837 29.700 -0.002 0.000 0.795 59 E HN 0.234 nan 8.360 nan 0.000 0.504 60 I N 2.050 122.615 120.570 -0.008 0.000 2.587 60 I HA 0.079 4.249 4.170 -0.000 0.000 0.284 60 I C 0.213 176.324 176.117 -0.009 0.000 1.134 60 I CA 0.609 61.905 61.300 -0.008 0.000 1.410 60 I CB -0.050 37.946 38.000 -0.007 0.000 1.392 60 I HN 0.088 nan 8.210 nan 0.000 0.545 61 E N 7.518 127.712 120.200 -0.009 0.000 2.428 61 E HA 0.318 4.668 4.350 -0.000 0.000 0.307 61 E C -1.709 174.885 176.600 -0.010 0.000 0.902 61 E CA -0.527 55.866 56.400 -0.011 0.000 0.799 61 E CB 1.192 30.883 29.700 -0.015 0.000 1.351 61 E HN 0.462 nan 8.360 nan 0.000 0.392 62 L N 3.476 124.695 121.223 -0.007 0.000 2.418 62 L HA 0.323 4.663 4.340 -0.000 0.000 0.265 62 L C 1.692 178.555 176.870 -0.011 0.000 1.143 62 L CA -0.253 54.584 54.840 -0.004 0.000 0.809 62 L CB 0.906 42.968 42.059 0.006 0.000 1.124 62 L HN 0.726 nan 8.230 nan 0.000 0.456 63 E N 0.866 121.060 120.200 -0.011 0.000 2.072 63 E HA -0.171 4.179 4.350 -0.000 0.000 0.190 63 E C 0.531 177.116 176.600 -0.024 0.000 0.982 63 E CA 0.462 56.851 56.400 -0.018 0.000 0.803 63 E CB 0.257 29.949 29.700 -0.014 0.000 0.755 63 E HN 0.678 nan 8.360 nan 0.000 0.453 64 D N 1.450 121.846 120.400 -0.006 0.000 2.346 64 D HA -0.012 4.628 4.640 -0.000 0.000 0.260 64 D C -0.549 175.743 176.300 -0.013 0.000 1.252 64 D CA 0.168 54.169 54.000 0.001 0.000 0.895 64 D CB 0.600 41.427 40.800 0.046 0.000 1.097 64 D HN 0.062 nan 8.370 nan 0.000 0.489 65 K N 2.711 123.049 120.400 -0.102 0.000 2.156 65 K HA 0.093 4.413 4.320 -0.000 0.000 0.242 65 K C 0.604 177.170 176.600 -0.057 0.000 1.033 65 K CA -0.503 55.683 56.287 -0.168 0.000 0.878 65 K CB 0.652 32.940 32.500 -0.354 0.000 1.057 65 K HN 0.369 nan 8.250 nan 0.000 0.505 66 F N -1.073 118.865 119.950 -0.020 0.000 2.529 66 F HA -0.373 4.154 4.527 -0.000 0.000 0.744 66 F C 1.791 177.580 175.800 -0.018 0.000 0.485 66 F CA 1.847 59.834 58.000 -0.022 0.000 0.764 66 F CB -1.394 37.595 39.000 -0.018 0.000 1.616 66 F HN 0.725 nan 8.300 nan 0.000 0.276 67 E N 0.166 120.503 120.200 0.227 0.000 2.085 67 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 67 E C 1.606 178.248 176.600 0.069 0.000 0.994 67 E CA 1.599 58.065 56.400 0.109 0.000 0.801 67 E CB -0.391 29.357 29.700 0.081 0.000 0.743 67 E HN 0.543 nan 8.360 nan 0.000 0.453 68 N N 0.488 119.220 118.700 0.054 0.000 2.120 68 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 68 N C 1.792 177.318 175.510 0.026 0.000 1.024 68 N CA 1.387 54.451 53.050 0.022 0.000 0.852 68 N CB 0.016 38.501 38.487 -0.003 0.000 1.003 68 N HN 0.082 nan 8.380 nan 0.000 0.424 69 M N -0.515 119.114 119.600 0.049 0.000 2.065 69 M HA -0.066 4.414 4.480 -0.000 0.000 0.259 69 M C 2.355 178.675 176.300 0.034 0.000 1.071 69 M CA 1.807 57.134 55.300 0.046 0.000 1.109 69 M CB -1.098 31.554 32.600 0.087 0.000 1.313 69 M HN 0.308 nan 8.290 nan 0.000 0.408 70 G N 0.266 109.093 108.800 0.045 0.000 2.547 70 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.221 70 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.221 70 G C 1.591 176.498 174.900 0.012 0.000 1.140 70 G CA 1.645 46.760 45.100 0.025 0.000 0.760 70 G HN 0.580 nan 8.290 nan 0.000 0.583 71 A N -0.113 122.715 122.820 0.013 0.000 1.825 71 A HA -0.056 4.264 4.320 -0.000 0.000 0.214 71 A C 2.386 179.967 177.584 -0.005 0.000 1.206 71 A CA 2.096 54.135 52.037 0.003 0.000 0.609 71 A CB -0.657 18.345 19.000 0.003 0.000 0.851 71 A HN 0.287 nan 8.150 nan 0.000 0.445 72 Q N -0.394 119.402 119.800 -0.006 0.000 2.197 72 Q HA -0.264 4.076 4.340 -0.000 0.000 0.211 72 Q C 2.117 178.105 176.000 -0.020 0.000 0.993 72 Q CA 2.040 57.835 55.803 -0.014 0.000 0.883 72 Q CB -0.730 28.001 28.738 -0.012 0.000 0.916 72 Q HN 0.794 nan 8.270 nan 0.000 0.418 73 M N -0.565 119.027 119.600 -0.014 0.000 2.117 73 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 73 M C 2.270 178.550 176.300 -0.033 0.000 1.065 73 M CA 1.227 56.516 55.300 -0.020 0.000 1.114 73 M CB -0.333 32.263 32.600 -0.008 0.000 1.361 73 M HN 0.003 nan 8.290 nan 0.000 0.408 74 V N 0.440 120.339 119.914 -0.026 0.000 2.239 74 V HA -0.249 3.871 4.120 -0.000 0.000 0.242 74 V C 2.163 178.227 176.094 -0.050 0.000 1.038 74 V CA 1.775 64.056 62.300 -0.032 0.000 1.002 74 V CB -0.794 31.019 31.823 -0.017 0.000 0.641 74 V HN 0.406 nan 8.190 nan 0.000 0.449 75 K N -0.063 120.313 120.400 -0.039 0.000 2.117 75 K HA -0.352 3.968 4.320 -0.000 0.000 0.215 75 K C 2.197 178.757 176.600 -0.066 0.000 1.053 75 K CA 2.452 58.713 56.287 -0.043 0.000 0.935 75 K CB -0.363 32.118 32.500 -0.032 0.000 0.719 75 K HN 0.597 nan 8.250 nan 0.000 0.460 76 E N 0.660 120.818 120.200 -0.069 0.000 2.033 76 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 76 E C 2.049 178.552 176.600 -0.161 0.000 1.011 76 E CA 1.651 57.996 56.400 -0.091 0.000 0.815 76 E CB -0.068 29.587 29.700 -0.075 0.000 0.755 76 E HN 0.179 nan 8.360 nan 0.000 0.451 77 V N 0.612 120.409 119.914 -0.195 0.000 2.515 77 V HA -0.133 3.987 4.120 -0.000 0.000 0.250 77 V C 2.203 178.060 176.094 -0.396 0.000 1.058 77 V CA 1.935 64.008 62.300 -0.378 0.000 1.064 77 V CB -0.325 31.316 31.823 -0.303 0.000 0.675 77 V HN 0.452 nan 8.190 nan 0.000 0.461 78 A N -0.948 121.761 122.820 -0.185 0.000 2.019 78 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 78 A C 2.502 180.026 177.584 -0.100 0.000 1.164 78 A CA 2.117 54.093 52.037 -0.102 0.000 0.644 78 A CB -0.725 18.246 19.000 -0.049 0.000 0.805 78 A HN 0.604 nan 8.150 nan 0.000 0.449 79 S N -0.392 115.232 115.700 -0.125 0.000 2.348 79 S HA -0.132 4.338 4.470 -0.000 0.000 0.219 79 S C 2.001 176.538 174.600 -0.106 0.000 1.033 79 S CA 1.409 59.555 58.200 -0.090 0.000 0.974 79 S CB -0.315 62.840 63.200 -0.075 0.000 0.868 79 S HN 0.582 nan 8.310 nan 0.000 0.459 80 K N 1.168 121.446 120.400 -0.204 0.000 2.144 80 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 80 K C 2.284 178.882 176.600 -0.003 0.000 1.047 80 K CA 1.294 57.460 56.287 -0.202 0.000 0.927 80 K CB -0.532 31.665 32.500 -0.505 0.000 0.716 80 K HN 0.469 nan 8.250 nan 0.000 0.454 81 A N 2.416 125.220 122.820 -0.027 0.000 1.842 81 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 81 A C 2.076 179.748 177.584 0.147 0.000 1.206 81 A CA 2.016 54.252 52.037 0.332 0.000 0.630 81 A CB -0.969 18.190 19.000 0.265 0.000 0.839 81 A HN 0.390 nan 8.150 nan 0.000 0.447 82 N N 0.216 118.942 118.700 0.042 0.000 2.094 82 N HA -0.226 4.514 4.740 -0.000 0.000 0.191 82 N C 1.190 176.686 175.510 -0.023 0.000 1.023 82 N CA 2.096 55.136 53.050 -0.016 0.000 0.857 82 N CB -0.548 37.911 38.487 -0.047 0.000 1.013 82 N HN 0.408 nan 8.380 nan 0.000 0.426 83 D N 0.256 120.659 120.400 0.004 0.000 2.149 83 D HA -0.117 4.523 4.640 -0.000 0.000 0.194 83 D C 0.738 177.066 176.300 0.047 0.000 1.001 83 D CA 1.483 55.494 54.000 0.018 0.000 0.849 83 D CB -0.300 40.513 40.800 0.022 0.000 0.939 83 D HN 0.447 nan 8.370 nan 0.000 0.449 84 A N -1.358 121.515 122.820 0.089 0.000 2.842 84 A HA 0.678 4.998 4.320 -0.000 0.000 0.298 84 A C 0.909 178.527 177.584 0.058 0.000 1.293 84 A CA 0.530 52.619 52.037 0.087 0.000 0.959 84 A CB 0.343 19.415 19.000 0.119 0.000 1.119 84 A HN 0.132 nan 8.150 nan 0.000 0.564 85 A N -2.589 120.248 122.820 0.028 0.000 2.558 85 A HA 0.447 4.767 4.320 -0.000 0.000 0.153 85 A C 1.496 179.056 177.584 -0.039 0.000 1.751 85 A CA 0.831 52.875 52.037 0.012 0.000 1.222 85 A CB -0.657 18.353 19.000 0.017 0.000 1.413 85 A HN 1.983 nan 8.150 nan 0.000 0.398 86 G N -0.828 107.884 108.800 -0.146 0.000 2.176 86 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.253 86 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.253 86 G C -0.154 174.615 174.900 -0.218 0.000 0.979 86 G CA 0.931 45.809 45.100 -0.371 0.000 0.641 86 G HN 1.151 nan 8.290 nan 0.000 0.530 87 D N -3.178 117.159 120.400 -0.105 0.000 2.871 87 D HA 0.478 5.118 4.640 -0.000 0.000 0.330 87 D C 1.071 177.358 176.300 -0.022 0.000 1.364 87 D CA 1.198 55.163 54.000 -0.059 0.000 0.759 87 D CB 0.344 41.120 40.800 -0.041 0.000 1.325 87 D HN 1.366 nan 8.370 nan 0.000 0.452 88 G N -0.510 108.284 108.800 -0.010 0.000 2.258 88 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.233 88 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.233 88 G C 1.176 176.083 174.900 0.011 0.000 1.006 88 G CA 1.318 46.423 45.100 0.008 0.000 0.620 88 G HN 0.624 nan 8.290 nan 0.000 0.511 89 T N 1.254 115.808 114.554 0.000 0.000 2.616 89 T HA -0.315 4.035 4.350 -0.000 0.000 0.261 89 T C 2.357 177.055 174.700 -0.004 0.000 1.105 89 T CA 3.121 65.218 62.100 -0.007 0.000 1.159 89 T CB -1.080 67.776 68.868 -0.020 0.000 0.856 89 T HN 0.639 nan 8.240 nan 0.000 0.449 90 T N 1.714 116.265 114.554 -0.005 0.000 2.639 90 T HA -0.122 4.228 4.350 -0.000 0.000 0.261 90 T C 2.331 177.033 174.700 0.004 0.000 1.053 90 T CA 1.828 63.926 62.100 -0.003 0.000 1.158 90 T CB -1.060 67.805 68.868 -0.004 0.000 0.863 90 T HN 0.473 nan 8.240 nan 0.000 0.413 91 T N 2.444 117.001 114.554 0.006 0.000 2.620 91 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 91 T C 2.317 177.028 174.700 0.019 0.000 1.044 91 T CA 1.687 63.794 62.100 0.011 0.000 1.161 91 T CB -0.915 67.960 68.868 0.012 0.000 0.862 91 T HN 0.474 nan 8.240 nan 0.000 0.438 92 A N 1.316 124.153 122.820 0.028 0.000 1.869 92 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 92 A C 2.586 180.187 177.584 0.028 0.000 1.203 92 A CA 2.755 54.818 52.037 0.043 0.000 0.638 92 A CB -1.603 17.433 19.000 0.061 0.000 0.831 92 A HN 0.532 nan 8.150 nan 0.000 0.450 93 T N -0.168 114.394 114.554 0.014 0.000 2.635 93 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 93 T C 1.891 176.596 174.700 0.009 0.000 1.040 93 T CA 1.962 64.066 62.100 0.006 0.000 1.156 93 T CB -0.761 68.107 68.868 -0.001 0.000 0.863 93 T HN 0.213 nan 8.240 nan 0.000 0.430 94 V N 1.549 121.469 119.914 0.009 0.000 2.282 94 V HA -0.209 3.911 4.120 -0.000 0.000 0.249 94 V C 2.509 178.610 176.094 0.012 0.000 1.057 94 V CA 1.763 64.069 62.300 0.009 0.000 1.032 94 V CB -0.867 30.961 31.823 0.008 0.000 0.645 94 V HN 0.413 nan 8.190 nan 0.000 0.447 95 L N -0.035 121.198 121.223 0.016 0.000 1.994 95 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 95 L C 2.820 179.701 176.870 0.019 0.000 1.071 95 L CA 1.581 56.432 54.840 0.019 0.000 0.745 95 L CB -0.998 41.076 42.059 0.024 0.000 0.892 95 L HN 0.343 nan 8.230 nan 0.000 0.431 96 A N -0.262 122.571 122.820 0.022 0.000 1.894 96 A HA -0.400 3.920 4.320 -0.000 0.000 0.220 96 A C 2.276 179.868 177.584 0.013 0.000 1.237 96 A CA 2.644 54.693 52.037 0.020 0.000 0.660 96 A CB -0.954 18.055 19.000 0.015 0.000 0.835 96 A HN 0.568 nan 8.150 nan 0.000 0.461 97 Q N -0.877 118.929 119.800 0.010 0.000 2.002 97 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 97 Q C 2.295 178.300 176.000 0.009 0.000 0.988 97 Q CA 2.018 57.826 55.803 0.008 0.000 0.843 97 Q CB -0.467 28.275 28.738 0.007 0.000 0.908 97 Q HN 0.629 nan 8.270 nan 0.000 0.420 98 A N 1.145 123.970 122.820 0.010 0.000 1.893 98 A HA -0.297 4.023 4.320 -0.000 0.000 0.222 98 A C 2.022 179.611 177.584 0.009 0.000 1.309 98 A CA 2.291 54.334 52.037 0.009 0.000 0.681 98 A CB -1.221 17.785 19.000 0.011 0.000 0.842 98 A HN 0.547 nan 8.150 nan 0.000 0.468 99 I N -0.518 120.059 120.570 0.011 0.000 2.072 99 I HA -0.269 3.901 4.170 -0.000 0.000 0.235 99 I C 2.405 178.527 176.117 0.009 0.000 1.058 99 I CA 1.722 63.029 61.300 0.011 0.000 1.320 99 I CB -0.583 37.426 38.000 0.014 0.000 1.047 99 I HN 0.372 nan 8.210 nan 0.000 0.397 100 I N 0.679 121.254 120.570 0.009 0.000 2.121 100 I HA -0.412 3.758 4.170 -0.000 0.000 0.243 100 I C 2.601 178.721 176.117 0.005 0.000 1.047 100 I CA 2.126 63.430 61.300 0.007 0.000 1.308 100 I CB -1.166 36.838 38.000 0.006 0.000 1.015 100 I HN 0.382 nan 8.210 nan 0.000 0.410 101 T N 0.359 114.916 114.554 0.005 0.000 2.570 101 T HA -0.221 4.129 4.350 -0.000 0.000 0.266 101 T C 1.802 176.504 174.700 0.004 0.000 1.071 101 T CA 1.716 63.818 62.100 0.004 0.000 1.172 101 T CB -0.326 68.545 68.868 0.005 0.000 0.864 101 T HN 0.345 nan 8.240 nan 0.000 0.421 102 E N 0.820 121.023 120.200 0.004 0.000 2.007 102 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 102 E C 2.689 179.291 176.600 0.004 0.000 0.999 102 E CA 1.424 57.827 56.400 0.004 0.000 0.811 102 E CB -1.165 28.538 29.700 0.005 0.000 0.762 102 E HN 0.569 nan 8.360 nan 0.000 0.450 103 G N 1.080 109.883 108.800 0.004 0.000 2.485 103 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.221 103 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.221 103 G C 1.511 176.413 174.900 0.003 0.000 1.115 103 G CA 0.631 45.734 45.100 0.004 0.000 0.751 103 G HN 0.147 nan 8.290 nan 0.000 0.567 104 L N -0.154 121.070 121.223 0.002 0.000 2.341 104 L HA 0.253 4.593 4.340 -0.000 0.000 0.214 104 L C 2.591 179.461 176.870 -0.001 0.000 1.115 104 L CA 1.140 55.980 54.840 -0.000 0.000 0.820 104 L CB -0.166 41.892 42.059 -0.002 0.000 0.944 104 L HN 0.167 nan 8.230 nan 0.000 0.452 105 K N -1.049 119.351 120.400 0.000 0.000 2.044 105 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 105 K C 2.135 178.735 176.600 0.001 0.000 1.049 105 K CA 1.065 57.352 56.287 0.000 0.000 0.945 105 K CB -0.308 32.193 32.500 0.001 0.000 0.724 105 K HN 0.272 nan 8.250 nan 0.000 0.440 106 A N 1.874 124.695 122.820 0.001 0.000 1.869 106 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 106 A C 2.490 180.075 177.584 0.001 0.000 1.203 106 A CA 2.581 54.619 52.037 0.002 0.000 0.638 106 A CB -1.389 17.612 19.000 0.002 0.000 0.831 106 A HN 0.203 nan 8.150 nan 0.000 0.450 107 V N -2.000 117.915 119.914 0.001 0.000 2.250 107 V HA -0.240 3.880 4.120 -0.000 0.000 0.250 107 V C 2.567 178.661 176.094 0.001 0.000 1.060 107 V CA 2.425 64.726 62.300 0.001 0.000 1.030 107 V CB -1.779 30.044 31.823 0.001 0.000 0.643 107 V HN 0.702 nan 8.190 nan 0.000 0.445 108 A N 0.216 123.035 122.820 -0.000 0.000 2.121 108 A HA 0.333 4.653 4.320 -0.000 0.000 0.218 108 A C 2.307 179.891 177.584 -0.001 0.000 1.154 108 A CA 1.672 53.709 52.037 -0.001 0.000 0.679 108 A CB -0.755 18.243 19.000 -0.002 0.000 0.795 108 A HN 1.046 nan 8.150 nan 0.000 0.458 109 A N -2.111 120.709 122.820 -0.000 0.000 2.123 109 A HA 0.420 4.740 4.320 -0.000 0.000 0.214 109 A C 1.777 179.361 177.584 -0.000 0.000 1.152 109 A CA 1.464 53.501 52.037 -0.000 0.000 0.728 109 A CB -0.357 18.644 19.000 0.000 0.000 0.814 109 A HN 1.619 nan 8.150 nan 0.000 0.464 110 G N -2.223 106.577 108.800 0.000 0.000 2.421 110 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.188 110 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.188 110 G C 0.263 175.163 174.900 0.001 0.000 1.001 110 G CA -0.011 45.089 45.100 0.000 0.000 0.693 110 G HN 0.275 nan 8.290 nan 0.000 0.479 111 M N 1.380 120.981 119.600 0.001 0.000 2.232 111 M HA 0.231 4.711 4.480 -0.000 0.000 0.321 111 M C 0.755 177.057 176.300 0.002 0.000 1.101 111 M CA -0.220 55.081 55.300 0.002 0.000 1.181 111 M CB 0.277 32.879 32.600 0.002 0.000 1.432 111 M HN 0.247 nan 8.290 nan 0.000 0.457 112 N N 2.341 121.043 118.700 0.003 0.000 2.452 112 N HA 0.098 4.838 4.740 -0.000 0.000 0.266 112 N C -2.249 173.263 175.510 0.004 0.000 1.175 112 N CA -1.370 51.682 53.050 0.003 0.000 0.945 112 N CB 1.139 39.628 38.487 0.003 0.000 1.063 112 N HN 0.255 nan 8.380 nan 0.000 0.472 113 P HA -0.081 nan 4.420 nan 0.000 0.215 113 P C 1.534 178.838 177.300 0.005 0.000 1.157 113 P CA 1.034 64.137 63.100 0.005 0.000 0.863 113 P CB 0.176 31.879 31.700 0.006 0.000 0.787 114 M N -0.276 119.327 119.600 0.006 0.000 2.089 114 M HA -0.198 4.282 4.480 -0.000 0.000 0.257 114 M C 1.424 177.727 176.300 0.005 0.000 1.071 114 M CA 1.839 57.142 55.300 0.006 0.000 1.096 114 M CB -1.287 31.317 32.600 0.006 0.000 1.330 114 M HN -0.128 nan 8.290 nan 0.000 0.403 115 D N -0.625 119.778 120.400 0.005 0.000 2.084 115 D HA -0.108 4.532 4.640 -0.000 0.000 0.196 115 D C 2.144 178.447 176.300 0.005 0.000 0.985 115 D CA 1.310 55.313 54.000 0.004 0.000 0.826 115 D CB -0.461 40.341 40.800 0.004 0.000 0.978 115 D HN 0.341 nan 8.370 nan 0.000 0.456 116 L N 1.052 122.278 121.223 0.005 0.000 2.010 116 L HA -0.283 4.057 4.340 -0.000 0.000 0.219 116 L C 2.630 179.503 176.870 0.006 0.000 1.077 116 L CA 1.650 56.493 54.840 0.005 0.000 0.773 116 L CB -0.617 41.445 42.059 0.005 0.000 0.892 116 L HN 0.058 nan 8.230 nan 0.000 0.436 117 K N 0.349 120.753 120.400 0.006 0.000 2.001 117 K HA -0.283 4.037 4.320 -0.000 0.000 0.214 117 K C 2.302 178.906 176.600 0.007 0.000 1.050 117 K CA 1.940 58.232 56.287 0.008 0.000 0.934 117 K CB -0.172 32.333 32.500 0.008 0.000 0.718 117 K HN 0.097 nan 8.250 nan 0.000 0.443 118 R N -0.192 120.312 120.500 0.006 0.000 2.122 118 R HA -0.184 4.156 4.340 -0.000 0.000 0.236 118 R C 2.386 178.689 176.300 0.005 0.000 1.129 118 R CA 2.243 58.346 56.100 0.005 0.000 0.925 118 R CB -1.052 29.251 30.300 0.004 0.000 0.850 118 R HN 0.486 nan 8.270 nan 0.000 0.431 119 G N 0.847 109.650 108.800 0.005 0.000 2.547 119 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.221 119 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.221 119 G C 1.480 176.383 174.900 0.005 0.000 1.140 119 G CA 1.431 46.534 45.100 0.004 0.000 0.760 119 G HN 0.355 nan 8.290 nan 0.000 0.583 120 I N 0.856 121.430 120.570 0.006 0.000 2.072 120 I HA -0.152 4.018 4.170 -0.000 0.000 0.235 120 I C 2.459 178.579 176.117 0.006 0.000 1.058 120 I CA 1.479 62.783 61.300 0.007 0.000 1.320 120 I CB -0.414 37.591 38.000 0.009 0.000 1.047 120 I HN 0.095 nan 8.210 nan 0.000 0.397 121 D N 1.009 121.412 120.400 0.006 0.000 2.200 121 D HA -0.294 4.346 4.640 -0.000 0.000 0.192 121 D C 1.950 178.251 176.300 0.002 0.000 1.008 121 D CA 1.642 55.645 54.000 0.004 0.000 0.872 121 D CB -0.357 40.446 40.800 0.004 0.000 0.923 121 D HN 0.379 nan 8.370 nan 0.000 0.447 122 K N 0.805 121.206 120.400 0.002 0.000 1.978 122 K HA -0.152 4.168 4.320 -0.000 0.000 0.214 122 K C 2.231 178.832 176.600 0.001 0.000 1.049 122 K CA 1.508 57.796 56.287 0.001 0.000 0.939 122 K CB -0.207 32.294 32.500 0.002 0.000 0.721 122 K HN 0.028 nan 8.250 nan 0.000 0.441 123 A N 0.808 123.629 122.820 0.003 0.000 1.915 123 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 123 A C 2.296 179.881 177.584 0.002 0.000 1.198 123 A CA 2.357 54.396 52.037 0.004 0.000 0.647 123 A CB -1.087 17.916 19.000 0.005 0.000 0.825 123 A HN 0.239 nan 8.150 nan 0.000 0.456 124 V N -0.478 119.437 119.914 0.002 0.000 2.220 124 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 124 V C 2.678 178.769 176.094 -0.005 0.000 1.049 124 V CA 2.617 64.916 62.300 -0.001 0.000 1.003 124 V CB -1.631 30.190 31.823 -0.002 0.000 0.634 124 V HN 0.648 nan 8.190 nan 0.000 0.444 125 T N 0.657 115.207 114.554 -0.006 0.000 2.594 125 T HA -0.365 3.985 4.350 -0.000 0.000 0.266 125 T C 2.002 176.699 174.700 -0.006 0.000 1.070 125 T CA 2.447 64.542 62.100 -0.008 0.000 1.166 125 T CB -0.732 68.132 68.868 -0.005 0.000 0.862 125 T HN 0.628 nan 8.240 nan 0.000 0.436 126 A N 1.566 124.384 122.820 -0.003 0.000 1.851 126 A HA 0.065 4.385 4.320 -0.000 0.000 0.216 126 A C 2.716 180.300 177.584 -0.000 0.000 1.195 126 A CA 2.383 54.420 52.037 -0.001 0.000 0.622 126 A CB -1.377 17.624 19.000 0.001 0.000 0.831 126 A HN 0.595 nan 8.150 nan 0.000 0.444 127 A N -0.700 122.121 122.820 0.001 0.000 1.978 127 A HA -0.008 4.312 4.320 -0.000 0.000 0.220 127 A C 2.184 179.767 177.584 -0.002 0.000 1.170 127 A CA 1.843 53.881 52.037 0.002 0.000 0.636 127 A CB -0.953 18.048 19.000 0.003 0.000 0.810 127 A HN 0.479 nan 8.150 nan 0.000 0.448 128 V N -0.280 119.630 119.914 -0.006 0.000 2.407 128 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 128 V C 2.521 178.610 176.094 -0.008 0.000 1.055 128 V CA 2.322 64.615 62.300 -0.011 0.000 1.049 128 V CB -0.791 31.020 31.823 -0.019 0.000 0.662 128 V HN 0.527 nan 8.190 nan 0.000 0.455 129 E N 0.262 120.459 120.200 -0.005 0.000 2.017 129 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 129 E C 2.317 178.918 176.600 0.001 0.000 0.997 129 E CA 1.176 57.575 56.400 -0.003 0.000 0.804 129 E CB -0.391 29.308 29.700 -0.001 0.000 0.757 129 E HN 0.508 nan 8.360 nan 0.000 0.448 130 E N 0.065 120.266 120.200 0.003 0.000 2.164 130 E HA -0.250 4.100 4.350 -0.000 0.000 0.206 130 E C 2.122 178.726 176.600 0.007 0.000 1.032 130 E CA 0.944 57.348 56.400 0.007 0.000 0.832 130 E CB -0.428 29.277 29.700 0.008 0.000 0.742 130 E HN 0.168 nan 8.360 nan 0.000 0.460 131 L N 1.320 122.545 121.223 0.004 0.000 2.042 131 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 131 L C 2.229 179.102 176.870 0.004 0.000 1.076 131 L CA 1.763 56.605 54.840 0.004 0.000 0.749 131 L CB -0.353 41.706 42.059 -0.000 0.000 0.893 131 L HN 0.047 nan 8.230 nan 0.000 0.432 132 K N -1.043 119.359 120.400 0.002 0.000 2.063 132 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 132 K C 2.088 178.692 176.600 0.006 0.000 1.048 132 K CA 1.420 57.708 56.287 0.002 0.000 0.928 132 K CB -0.457 32.043 32.500 0.000 0.000 0.713 132 K HN 0.387 nan 8.250 nan 0.000 0.442 133 A N 1.786 124.610 122.820 0.007 0.000 1.841 133 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 133 A C 2.185 179.776 177.584 0.012 0.000 1.199 133 A CA 1.461 53.503 52.037 0.009 0.000 0.621 133 A CB -0.788 18.218 19.000 0.010 0.000 0.835 133 A HN 0.257 nan 8.150 nan 0.000 0.445 134 L N 0.483 121.715 121.223 0.014 0.000 2.127 134 L HA -0.033 4.307 4.340 -0.000 0.000 0.211 134 L C 1.579 178.459 176.870 0.016 0.000 1.089 134 L CA 1.640 56.491 54.840 0.018 0.000 0.757 134 L CB -0.768 41.303 42.059 0.020 0.000 0.899 134 L HN 0.344 nan 8.230 nan 0.000 0.434 135 S N -0.911 114.796 115.700 0.012 0.000 2.558 135 S HA 0.141 4.611 4.470 -0.000 0.000 0.291 135 S C -0.196 174.411 174.600 0.012 0.000 1.306 135 S CA -0.419 57.787 58.200 0.011 0.000 1.056 135 S CB 0.130 63.334 63.200 0.008 0.000 0.836 135 S HN 0.105 nan 8.310 nan 0.000 0.504 136 V N 8.302 128.223 119.914 0.013 0.000 2.448 136 V HA 0.396 4.516 4.120 -0.000 0.000 0.295 136 V C -2.041 174.060 176.094 0.012 0.000 1.025 136 V CA -1.861 60.446 62.300 0.013 0.000 0.859 136 V CB 1.477 33.309 31.823 0.015 0.000 0.988 136 V HN 0.790 nan 8.190 nan 0.000 0.431 137 P HA 0.019 nan 4.420 nan 0.000 0.270 137 P C -0.575 176.732 177.300 0.011 0.000 1.216 137 P CA 0.011 63.117 63.100 0.010 0.000 0.788 137 P CB 0.351 32.057 31.700 0.010 0.000 0.883 138 C N 1.643 120.950 119.300 0.011 0.000 3.220 138 C HA 0.485 4.945 4.460 -0.000 0.000 0.352 138 C C 0.938 175.934 174.990 0.011 0.000 1.031 138 C CA 0.319 59.344 59.018 0.011 0.000 1.338 138 C CB -0.924 26.823 27.740 0.012 0.000 1.763 138 C HN 0.630 nan 8.230 nan 0.000 0.548 139 S N 2.535 118.241 115.700 0.010 0.000 3.313 139 S HA 0.194 4.664 4.470 -0.000 0.000 0.247 139 S C 0.246 174.851 174.600 0.008 0.000 1.058 139 S CA 0.699 58.904 58.200 0.009 0.000 0.794 139 S CB -0.186 63.019 63.200 0.009 0.000 0.842 139 S HN 0.928 nan 8.310 nan 0.000 0.526 140 D N 1.927 122.331 120.400 0.007 0.000 2.419 140 D HA 0.124 4.764 4.640 -0.000 0.000 0.236 140 D C 0.727 177.030 176.300 0.006 0.000 1.165 140 D CA 0.337 54.341 54.000 0.006 0.000 0.882 140 D CB 0.383 41.187 40.800 0.006 0.000 1.201 140 D HN 0.129 nan 8.370 nan 0.000 0.443 141 S N 0.522 116.225 115.700 0.005 0.000 2.488 141 S HA -0.199 4.271 4.470 -0.000 0.000 0.246 141 S C 1.427 176.029 174.600 0.004 0.000 0.992 141 S CA 1.161 59.363 58.200 0.004 0.000 0.963 141 S CB -0.274 62.928 63.200 0.003 0.000 0.754 141 S HN 0.632 nan 8.310 nan 0.000 0.519 142 K N 1.826 122.229 120.400 0.005 0.000 1.992 142 K HA 0.044 4.364 4.320 -0.000 0.000 0.210 142 K C 2.366 178.969 176.600 0.006 0.000 1.036 142 K CA 1.019 57.309 56.287 0.005 0.000 0.946 142 K CB -0.564 31.939 32.500 0.005 0.000 0.742 142 K HN 0.192 nan 8.250 nan 0.000 0.442 143 A N 1.805 124.629 122.820 0.007 0.000 2.009 143 A HA -0.218 4.102 4.320 -0.000 0.000 0.222 143 A C 2.052 179.640 177.584 0.008 0.000 1.175 143 A CA 1.812 53.854 52.037 0.008 0.000 0.651 143 A CB -0.756 18.249 19.000 0.009 0.000 0.815 143 A HN 0.413 nan 8.150 nan 0.000 0.459 144 I N -0.413 120.161 120.570 0.007 0.000 2.094 144 I HA -0.209 3.961 4.170 -0.000 0.000 0.234 144 I C 3.003 179.124 176.117 0.006 0.000 1.063 144 I CA 1.523 62.827 61.300 0.007 0.000 1.328 144 I CB -1.830 36.173 38.000 0.006 0.000 1.058 144 I HN 0.354 nan 8.210 nan 0.000 0.400 145 A N 0.076 122.899 122.820 0.004 0.000 2.024 145 A HA -0.288 4.032 4.320 -0.000 0.000 0.220 145 A C 2.189 179.775 177.584 0.004 0.000 1.164 145 A CA 1.997 54.036 52.037 0.003 0.000 0.643 145 A CB -0.677 18.324 19.000 0.002 0.000 0.806 145 A HN 0.543 nan 8.150 nan 0.000 0.451 146 Q N 0.117 119.920 119.800 0.005 0.000 1.858 146 Q HA -0.184 4.156 4.340 -0.000 0.000 0.240 146 Q C 2.046 178.050 176.000 0.006 0.000 1.014 146 Q CA 2.943 58.749 55.803 0.005 0.000 0.884 146 Q CB -1.118 27.623 28.738 0.007 0.000 0.957 146 Q HN 0.588 nan 8.270 nan 0.000 0.419 147 V N 0.517 120.436 119.914 0.007 0.000 2.278 147 V HA -0.261 3.859 4.120 -0.000 0.000 0.251 147 V C 1.894 177.994 176.094 0.009 0.000 1.062 147 V CA 3.099 65.404 62.300 0.009 0.000 1.038 147 V CB -1.481 30.349 31.823 0.012 0.000 0.646 147 V HN 0.611 nan 8.190 nan 0.000 0.447 148 G N -0.101 108.704 108.800 0.009 0.000 2.628 148 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.217 148 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.217 148 G C 1.789 176.693 174.900 0.007 0.000 1.240 148 G CA 2.731 47.836 45.100 0.009 0.000 0.792 148 G HN 0.827 nan 8.290 nan 0.000 0.593 149 T N 0.172 114.729 114.554 0.004 0.000 2.760 149 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 149 T C 2.348 177.049 174.700 0.002 0.000 1.047 149 T CA 1.630 63.732 62.100 0.002 0.000 1.139 149 T CB -0.381 68.488 68.868 0.001 0.000 0.855 149 T HN 0.336 nan 8.240 nan 0.000 0.471 150 I N 1.228 121.800 120.570 0.002 0.000 2.133 150 I HA -0.106 4.064 4.170 -0.000 0.000 0.238 150 I C 3.018 179.136 176.117 0.001 0.000 1.074 150 I CA 1.465 62.765 61.300 0.000 0.000 1.342 150 I CB -0.716 37.285 38.000 0.000 0.000 1.053 150 I HN 0.312 nan 8.210 nan 0.000 0.404 151 S N 0.626 116.330 115.700 0.006 0.000 2.469 151 S HA -0.040 4.430 4.470 -0.000 0.000 0.238 151 S C 1.817 176.423 174.600 0.011 0.000 0.998 151 S CA 1.090 59.296 58.200 0.010 0.000 0.957 151 S CB -0.207 63.005 63.200 0.020 0.000 0.764 151 S HN 0.454 nan 8.310 nan 0.000 0.514 152 A N 1.074 123.899 122.820 0.008 0.000 2.307 152 A HA 0.330 4.650 4.320 -0.000 0.000 0.218 152 A C 0.662 178.248 177.584 0.002 0.000 1.228 152 A CA 0.267 52.308 52.037 0.007 0.000 0.857 152 A CB -0.812 18.191 19.000 0.005 0.000 0.897 152 A HN 0.799 nan 8.150 nan 0.000 0.495 153 N N -0.698 118.002 118.700 0.000 0.000 2.765 153 N HA -0.234 4.506 4.740 -0.000 0.000 0.254 153 N C 0.392 175.899 175.510 -0.005 0.000 1.094 153 N CA 0.299 53.347 53.050 -0.004 0.000 0.680 153 N CB -1.110 37.374 38.487 -0.004 0.000 0.902 153 N HN 0.353 nan 8.380 nan 0.000 0.557 154 S N -1.327 114.370 115.700 -0.004 0.000 1.906 154 S HA -0.283 4.187 4.470 -0.000 0.000 0.229 154 S C 0.039 174.638 174.600 -0.003 0.000 1.003 154 S CA 1.386 59.583 58.200 -0.004 0.000 1.559 154 S CB -0.989 62.208 63.200 -0.006 0.000 2.023 154 S HN 0.834 nan 8.310 nan 0.000 0.555 155 D N 2.845 123.244 120.400 -0.002 0.000 2.518 155 D HA -0.003 4.637 4.640 -0.000 0.000 0.270 155 D C 1.043 177.343 176.300 -0.001 0.000 1.338 155 D CA 0.665 54.664 54.000 -0.002 0.000 0.983 155 D CB 0.239 41.038 40.800 -0.001 0.000 1.126 155 D HN 0.625 nan 8.370 nan 0.000 0.543 156 E N 1.397 121.596 120.200 -0.001 0.000 2.106 156 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 156 E C 2.026 178.625 176.600 -0.001 0.000 0.984 156 E CA 1.556 57.956 56.400 -0.001 0.000 0.806 156 E CB -0.028 29.672 29.700 -0.000 0.000 0.750 156 E HN 0.698 nan 8.360 nan 0.000 0.458 157 T N -0.494 114.059 114.554 -0.001 0.000 2.721 157 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 157 T C 2.052 176.751 174.700 -0.002 0.000 1.038 157 T CA 1.566 63.665 62.100 -0.002 0.000 1.145 157 T CB -0.728 68.138 68.868 -0.003 0.000 0.858 157 T HN -0.037 nan 8.240 nan 0.000 0.459 158 V N 2.283 122.196 119.914 -0.002 0.000 2.221 158 V HA 0.038 4.158 4.120 -0.000 0.000 0.242 158 V C 3.206 179.299 176.094 -0.002 0.000 1.041 158 V CA 1.857 64.156 62.300 -0.002 0.000 0.995 158 V CB -1.689 30.133 31.823 -0.001 0.000 0.635 158 V HN 0.634 nan 8.190 nan 0.000 0.448 159 G N -0.122 108.678 108.800 0.000 0.000 2.550 159 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.222 159 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.222 159 G C 1.532 176.432 174.900 -0.000 0.000 1.113 159 G CA 1.585 46.685 45.100 0.001 0.000 0.748 159 G HN 0.549 nan 8.290 nan 0.000 0.585 160 K N -0.248 120.151 120.400 -0.001 0.000 1.970 160 K HA -0.129 4.191 4.320 -0.000 0.000 0.225 160 K C 2.487 179.086 176.600 -0.003 0.000 1.045 160 K CA 1.633 57.919 56.287 -0.001 0.000 1.002 160 K CB -0.452 32.047 32.500 -0.002 0.000 0.743 160 K HN 0.138 nan 8.250 nan 0.000 0.445 161 L N 1.461 122.681 121.223 -0.004 0.000 2.064 161 L HA -0.261 4.079 4.340 -0.000 0.000 0.216 161 L C 2.332 179.197 176.870 -0.007 0.000 1.077 161 L CA 1.744 56.581 54.840 -0.006 0.000 0.766 161 L CB -0.692 41.362 42.059 -0.008 0.000 0.890 161 L HN 0.404 nan 8.230 nan 0.000 0.435 162 I N -0.884 119.681 120.570 -0.007 0.000 2.163 162 I HA -0.354 3.816 4.170 -0.000 0.000 0.243 162 I C 2.649 178.763 176.117 -0.005 0.000 1.085 162 I CA 1.392 62.687 61.300 -0.008 0.000 1.347 162 I CB -0.743 37.254 38.000 -0.005 0.000 1.044 162 I HN 0.288 nan 8.210 nan 0.000 0.408 163 A N 0.656 123.475 122.820 -0.002 0.000 1.877 163 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 163 A C 2.221 179.804 177.584 -0.002 0.000 1.186 163 A CA 1.712 53.748 52.037 -0.001 0.000 0.620 163 A CB -0.637 18.363 19.000 0.001 0.000 0.822 163 A HN 0.465 nan 8.150 nan 0.000 0.443 164 E N -0.042 120.156 120.200 -0.003 0.000 2.049 164 E HA -0.191 4.159 4.350 -0.000 0.000 0.198 164 E C 2.370 178.968 176.600 -0.004 0.000 1.007 164 E CA 1.063 57.461 56.400 -0.003 0.000 0.809 164 E CB -0.415 29.282 29.700 -0.004 0.000 0.749 164 E HN 0.610 nan 8.360 nan 0.000 0.450 165 A N 1.799 124.615 122.820 -0.006 0.000 1.852 165 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 165 A C 2.276 179.856 177.584 -0.006 0.000 1.215 165 A CA 2.287 54.319 52.037 -0.008 0.000 0.641 165 A CB -0.846 18.147 19.000 -0.012 0.000 0.838 165 A HN 0.177 nan 8.150 nan 0.000 0.450 166 M N -1.110 118.487 119.600 -0.005 0.000 2.195 166 M HA -0.205 4.275 4.480 -0.000 0.000 0.260 166 M C 1.703 178.003 176.300 -0.001 0.000 1.066 166 M CA 1.994 57.292 55.300 -0.002 0.000 1.089 166 M CB -0.712 31.888 32.600 -0.000 0.000 1.377 166 M HN 0.536 nan 8.290 nan 0.000 0.411 167 D N 0.346 120.745 120.400 -0.001 0.000 2.310 167 D HA -0.092 4.548 4.640 -0.000 0.000 0.212 167 D C 1.913 178.213 176.300 -0.001 0.000 0.965 167 D CA 0.942 54.941 54.000 -0.000 0.000 0.879 167 D CB 0.357 41.157 40.800 -0.000 0.000 0.921 167 D HN 0.106 nan 8.370 nan 0.000 0.510 168 K N -0.245 120.154 120.400 -0.002 0.000 2.079 168 K HA 0.083 4.403 4.320 -0.000 0.000 0.214 168 K C 1.581 178.179 176.600 -0.002 0.000 1.024 168 K CA 0.328 56.613 56.287 -0.003 0.000 0.948 168 K CB -1.083 31.414 32.500 -0.004 0.000 0.830 168 K HN -0.004 nan 8.250 nan 0.000 0.452 169 V N 1.023 120.935 119.914 -0.003 0.000 3.630 169 V HA 0.149 4.269 4.120 -0.000 0.000 0.273 169 V C 0.285 176.379 176.094 -0.001 0.000 1.248 169 V CA 1.068 63.367 62.300 -0.002 0.000 1.170 169 V CB -1.008 30.814 31.823 -0.003 0.000 0.899 169 V HN 0.661 nan 8.190 nan 0.000 0.457 170 G N 0.323 109.123 108.800 0.000 0.000 2.712 170 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.683 170 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.683 170 G C 0.192 175.094 174.900 0.003 0.000 1.320 170 G CA 0.055 45.156 45.100 0.002 0.000 0.847 170 G HN 0.303 nan 8.290 nan 0.000 0.553 171 K N -0.042 120.362 120.400 0.006 0.000 2.148 171 K HA -0.040 4.280 4.320 -0.000 0.000 0.204 171 K C 1.900 178.505 176.600 0.010 0.000 1.050 171 K CA 1.836 58.128 56.287 0.008 0.000 0.942 171 K CB 0.011 32.518 32.500 0.011 0.000 0.724 171 K HN 0.414 nan 8.250 nan 0.000 0.446 172 E N 0.082 120.289 120.200 0.011 0.000 2.472 172 E HA 0.071 4.421 4.350 -0.000 0.000 0.196 172 E C 0.617 177.224 176.600 0.011 0.000 1.033 172 E CA -0.055 56.354 56.400 0.015 0.000 0.886 172 E CB 0.250 29.961 29.700 0.018 0.000 0.944 172 E HN 0.286 nan 8.360 nan 0.000 0.492 173 G N 0.267 109.070 108.800 0.006 0.000 2.771 173 G HA2 0.123 4.083 3.960 -0.000 0.000 0.242 173 G HA3 0.123 4.083 3.960 -0.000 0.000 0.242 173 G C -0.169 174.732 174.900 0.002 0.000 1.233 173 G CA -0.404 44.699 45.100 0.004 0.000 0.858 173 G HN 0.054 nan 8.290 nan 0.000 0.591 174 V N 1.335 121.250 119.914 0.002 0.000 2.333 174 V HA 0.320 4.440 4.120 -0.000 0.000 0.274 174 V C -0.231 175.855 176.094 -0.014 0.000 1.028 174 V CA -0.355 61.943 62.300 -0.003 0.000 0.851 174 V CB 0.758 32.584 31.823 0.006 0.000 1.000 174 V HN 0.450 nan 8.190 nan 0.000 0.456 175 I N 4.910 125.465 120.570 -0.025 0.000 2.493 175 I HA 0.714 4.884 4.170 -0.000 0.000 0.298 175 I C 0.540 176.631 176.117 -0.044 0.000 0.998 175 I CA 0.093 61.374 61.300 -0.031 0.000 1.137 175 I CB 2.187 40.166 38.000 -0.034 0.000 1.310 175 I HN 0.768 nan 8.210 nan 0.000 0.445 176 T N 2.056 116.587 114.554 -0.039 0.000 2.831 176 T HA 0.929 5.279 4.350 -0.000 0.000 0.287 176 T C -0.765 173.911 174.700 -0.039 0.000 1.070 176 T CA -0.779 61.294 62.100 -0.044 0.000 1.010 176 T CB 1.672 70.516 68.868 -0.039 0.000 1.264 176 T HN 0.262 nan 8.240 nan 0.000 0.532 177 V N 0.529 120.420 119.914 -0.038 0.000 2.925 177 V HA 0.701 4.821 4.120 -0.000 0.000 0.311 177 V C -1.014 175.064 176.094 -0.026 0.000 1.104 177 V CA -0.882 61.400 62.300 -0.031 0.000 0.954 177 V CB 1.945 33.749 31.823 -0.032 0.000 1.022 177 V HN 1.082 nan 8.190 nan 0.000 0.427 178 E N 0.915 121.102 120.200 -0.022 0.000 2.390 178 E HA 0.438 4.788 4.350 -0.000 0.000 0.277 178 E C -1.851 174.739 176.600 -0.016 0.000 0.939 178 E CA -1.052 55.336 56.400 -0.020 0.000 0.769 178 E CB 2.225 31.913 29.700 -0.020 0.000 1.251 178 E HN 0.704 nan 8.360 nan 0.000 0.450 179 D N 0.852 121.243 120.400 -0.015 0.000 2.423 179 D HA 0.247 4.887 4.640 -0.000 0.000 0.238 179 D C 0.219 176.511 176.300 -0.013 0.000 1.142 179 D CA 0.501 54.493 54.000 -0.013 0.000 0.884 179 D CB 0.592 41.385 40.800 -0.012 0.000 1.199 179 D HN 0.461 nan 8.370 nan 0.000 0.438 180 G N -0.231 108.563 108.800 -0.011 0.000 2.432 180 G HA2 0.279 4.239 3.960 -0.000 0.000 0.257 180 G HA3 0.279 4.239 3.960 -0.000 0.000 0.257 180 G C 1.174 176.067 174.900 -0.010 0.000 1.238 180 G CA -0.307 44.787 45.100 -0.010 0.000 0.838 180 G HN 0.525 nan 8.290 nan 0.000 0.547 181 T N -0.046 114.502 114.554 -0.010 0.000 2.904 181 T HA 0.189 4.539 4.350 -0.000 0.000 0.267 181 T C 1.442 176.137 174.700 -0.009 0.000 1.059 181 T CA 1.195 63.289 62.100 -0.010 0.000 1.137 181 T CB 0.021 68.883 68.868 -0.010 0.000 0.879 181 T HN 0.712 nan 8.240 nan 0.000 0.467 182 G N 0.607 109.402 108.800 -0.008 0.000 3.356 182 G HA2 0.520 4.480 3.960 -0.000 0.000 0.178 182 G HA3 0.520 4.480 3.960 -0.000 0.000 0.178 182 G C 0.225 175.122 174.900 -0.007 0.000 1.175 182 G CA -0.040 45.056 45.100 -0.007 0.000 0.840 182 G HN 0.261 nan 8.290 nan 0.000 0.658 183 L N -0.844 120.376 121.223 -0.006 0.000 2.515 183 L HA 0.445 4.785 4.340 -0.000 0.000 0.223 183 L C 0.587 177.454 176.870 -0.005 0.000 1.079 183 L CA 0.434 55.271 54.840 -0.005 0.000 0.857 183 L CB -0.092 41.964 42.059 -0.005 0.000 1.050 183 L HN 0.170 nan 8.230 nan 0.000 0.476 184 Q N 1.247 121.044 119.800 -0.006 0.000 2.259 184 Q HA 0.209 4.549 4.340 -0.000 0.000 0.246 184 Q C -0.842 175.154 176.000 -0.006 0.000 0.920 184 Q CA -0.289 55.511 55.803 -0.006 0.000 0.895 184 Q CB 1.197 29.932 28.738 -0.005 0.000 1.220 184 Q HN 0.226 nan 8.270 nan 0.000 0.439 185 D N 1.605 122.002 120.400 -0.006 0.000 2.339 185 D HA 0.224 4.864 4.640 -0.000 0.000 0.245 185 D C -0.370 175.926 176.300 -0.008 0.000 1.115 185 D CA 0.153 54.149 54.000 -0.007 0.000 0.917 185 D CB 0.830 41.625 40.800 -0.007 0.000 1.192 185 D HN 0.279 nan 8.370 nan 0.000 0.428 186 E N 0.405 120.600 120.200 -0.009 0.000 2.275 186 E HA 0.430 4.780 4.350 -0.000 0.000 0.270 186 E C -0.968 175.626 176.600 -0.010 0.000 0.882 186 E CA -0.649 55.745 56.400 -0.009 0.000 0.758 186 E CB 2.480 32.174 29.700 -0.009 0.000 1.195 186 E HN 0.198 nan 8.360 nan 0.000 0.419 187 L N 3.648 124.865 121.223 -0.009 0.000 2.342 187 L HA 0.491 4.831 4.340 -0.000 0.000 0.276 187 L C -1.552 175.312 176.870 -0.009 0.000 0.997 187 L CA -0.432 54.402 54.840 -0.010 0.000 0.838 187 L CB 0.684 42.738 42.059 -0.009 0.000 1.224 187 L HN 0.521 nan 8.230 nan 0.000 0.416 188 D N 4.404 124.798 120.400 -0.010 0.000 2.619 188 D HA 0.401 5.041 4.640 -0.000 0.000 0.241 188 D C -0.736 175.559 176.300 -0.009 0.000 1.087 188 D CA -0.173 53.822 54.000 -0.009 0.000 0.851 188 D CB 2.990 43.785 40.800 -0.009 0.000 1.474 188 D HN 0.324 nan 8.370 nan 0.000 0.478 189 V N -0.447 119.463 119.914 -0.007 0.000 2.370 189 V HA 0.766 4.886 4.120 -0.000 0.000 0.283 189 V C -0.129 175.962 176.094 -0.006 0.000 1.023 189 V CA -0.548 61.748 62.300 -0.007 0.000 0.857 189 V CB 1.366 33.185 31.823 -0.005 0.000 0.985 189 V HN 0.311 nan 8.190 nan 0.000 0.443 190 V N 3.306 123.217 119.914 -0.006 0.000 3.114 190 V HA 0.531 4.651 4.120 -0.000 0.000 0.308 190 V C 1.064 177.157 176.094 -0.002 0.000 1.168 190 V CA -0.397 61.900 62.300 -0.005 0.000 1.015 190 V CB 2.493 34.312 31.823 -0.007 0.000 1.050 190 V HN 0.926 nan 8.190 nan 0.000 0.433 191 E N 2.364 122.563 120.200 -0.001 0.000 2.393 191 E HA -0.056 4.294 4.350 -0.000 0.000 0.201 191 E C 1.170 177.773 176.600 0.005 0.000 1.025 191 E CA 0.959 57.361 56.400 0.002 0.000 0.856 191 E CB -0.592 29.110 29.700 0.002 0.000 0.771 191 E HN 0.871 nan 8.360 nan 0.000 0.526 192 G N 1.030 109.826 108.800 -0.007 0.000 2.777 192 G HA2 0.092 4.052 3.960 -0.000 0.000 0.286 192 G HA3 0.092 4.052 3.960 -0.000 0.000 0.286 192 G C 0.242 175.141 174.900 -0.002 0.000 1.283 192 G CA 0.351 45.446 45.100 -0.009 0.000 1.060 192 G HN 0.232 nan 8.290 nan 0.000 0.641 193 M N -1.944 117.651 119.600 -0.008 0.000 2.949 193 M HA 0.525 5.005 4.480 -0.000 0.000 0.270 193 M C -1.732 174.543 176.300 -0.042 0.000 1.221 193 M CA -0.754 54.550 55.300 0.007 0.000 0.818 193 M CB 1.920 34.555 32.600 0.058 0.000 1.635 193 M HN 0.743 nan 8.290 nan 0.000 0.492 194 Q N 1.711 121.494 119.800 -0.030 0.000 2.578 194 Q HA 0.657 4.997 4.340 -0.000 0.000 0.284 194 Q C -2.329 173.659 176.000 -0.021 0.000 0.960 194 Q CA -0.637 55.075 55.803 -0.151 0.000 0.809 194 Q CB 2.713 31.386 28.738 -0.108 0.000 1.462 194 Q HN 0.663 nan 8.270 nan 0.000 0.392 195 F N -0.783 119.176 119.950 0.014 0.000 2.688 195 F HA 0.430 4.957 4.527 -0.000 0.000 0.308 195 F C -1.549 174.263 175.800 0.020 0.000 1.117 195 F CA -1.300 56.711 58.000 0.018 0.000 0.976 195 F CB 0.717 39.730 39.000 0.021 0.000 1.291 195 F HN 0.299 nan 8.300 nan 0.000 0.439 196 D N 2.777 123.368 120.400 0.317 0.000 2.367 196 D HA 0.426 5.066 4.640 -0.000 0.000 0.255 196 D C -0.417 176.042 176.300 0.265 0.000 1.300 196 D CA 0.609 54.733 54.000 0.206 0.000 0.959 196 D CB 0.299 41.177 40.800 0.129 0.000 1.064 196 D HN 0.579 nan 8.370 nan 0.000 0.509 197 R N 0.860 121.514 120.500 0.256 0.000 2.725 197 R HA 0.481 4.821 4.340 -0.000 0.000 0.276 197 R C -0.263 176.109 176.300 0.120 0.000 1.189 197 R CA -0.475 55.765 56.100 0.233 0.000 1.083 197 R CB 1.227 31.791 30.300 0.439 0.000 1.262 197 R HN 0.381 nan 8.270 nan 0.000 0.415 198 G N 1.726 110.520 108.800 -0.011 0.000 2.488 198 G HA2 0.392 4.352 3.960 -0.000 0.000 0.318 198 G HA3 0.392 4.352 3.960 -0.000 0.000 0.318 198 G C -0.712 174.119 174.900 -0.115 0.000 1.188 198 G CA -0.563 44.433 45.100 -0.173 0.000 0.944 198 G HN 0.513 nan 8.290 nan 0.000 0.495 199 Y N -1.135 119.243 120.300 0.131 0.000 2.652 199 Y HA 0.297 4.847 4.550 -0.000 0.000 0.344 199 Y C 0.548 176.512 175.900 0.106 0.000 1.254 199 Y CA -1.150 57.060 58.100 0.185 0.000 1.480 199 Y CB 0.236 38.836 38.460 0.233 0.000 1.345 199 Y HN 0.099 nan 8.280 nan 0.000 0.617 200 L N 2.277 123.719 121.223 0.365 0.000 2.783 200 L HA 0.333 4.673 4.340 -0.000 0.000 0.236 200 L C 0.173 177.053 176.870 0.017 0.000 1.225 200 L CA 0.332 55.278 54.840 0.176 0.000 1.026 200 L CB -0.901 41.242 42.059 0.140 0.000 1.314 200 L HN 0.732 nan 8.230 nan 0.000 0.489 201 S N -1.554 114.165 115.700 0.030 0.000 2.546 201 S HA 0.310 4.780 4.470 -0.000 0.000 0.303 201 S C -2.371 171.881 174.600 -0.580 0.000 1.067 201 S CA -0.560 57.406 58.200 -0.390 0.000 0.944 201 S CB 1.177 63.737 63.200 -1.067 0.000 1.155 201 S HN -0.111 nan 8.310 nan 0.000 0.449 202 P HA -0.054 nan 4.420 nan 0.000 0.216 202 P C 0.590 177.657 177.300 -0.388 0.000 1.150 202 P CA 0.999 63.751 63.100 -0.580 0.000 0.837 202 P CB -0.072 31.508 31.700 -0.200 0.000 0.786 203 Y N -2.552 117.544 120.300 -0.339 0.000 2.736 203 Y HA -0.113 4.437 4.550 -0.000 0.000 0.298 203 Y C 1.659 177.557 175.900 -0.002 0.000 1.156 203 Y CA 0.581 58.579 58.100 -0.171 0.000 1.384 203 Y CB -1.169 37.208 38.460 -0.138 0.000 0.976 203 Y HN -0.004 nan 8.280 nan 0.000 0.556 204 F N -0.789 119.107 119.950 -0.091 0.000 2.446 204 F HA 0.148 4.675 4.527 -0.000 0.000 0.292 204 F C 1.217 176.948 175.800 -0.116 0.000 1.096 204 F CA -0.962 56.989 58.000 -0.082 0.000 1.438 204 F CB -0.706 38.248 39.000 -0.076 0.000 1.107 204 F HN -0.192 nan 8.300 nan 0.000 0.546 205 I N 3.056 123.607 120.570 -0.031 0.000 2.996 205 I HA -0.233 3.937 4.170 -0.000 0.000 0.311 205 I C 1.176 177.287 176.117 -0.010 0.000 1.219 205 I CA 0.714 61.982 61.300 -0.053 0.000 1.452 205 I CB 0.241 38.164 38.000 -0.127 0.000 1.319 205 I HN 0.260 nan 8.210 nan 0.000 0.564 206 N N 4.623 123.324 118.700 0.001 0.000 2.159 206 N HA 0.037 4.777 4.740 -0.000 0.000 0.217 206 N C -0.242 175.264 175.510 -0.007 0.000 1.223 206 N CA -0.181 52.868 53.050 -0.001 0.000 0.896 206 N CB 0.707 39.197 38.487 0.003 0.000 1.064 206 N HN 0.400 nan 8.380 nan 0.000 0.518 207 K N 2.090 122.487 120.400 -0.006 0.000 2.679 207 K HA 0.324 4.644 4.320 -0.000 0.000 0.188 207 K C -1.843 174.752 176.600 -0.009 0.000 1.055 207 K CA -1.792 54.492 56.287 -0.005 0.000 1.006 207 K CB 2.185 34.688 32.500 0.005 0.000 1.317 207 K HN -0.017 nan 8.250 nan 0.000 0.584 208 P HA -0.240 nan 4.420 nan 0.000 0.212 208 P C 0.850 178.141 177.300 -0.016 0.000 1.174 208 P CA 1.398 64.482 63.100 -0.028 0.000 0.934 208 P CB 0.395 32.077 31.700 -0.030 0.000 0.791 209 E N -0.935 119.259 120.200 -0.010 0.000 2.455 209 E HA -0.088 4.262 4.350 -0.000 0.000 0.202 209 E C 1.518 178.119 176.600 0.003 0.000 1.045 209 E CA 1.133 57.531 56.400 -0.004 0.000 0.872 209 E CB -0.549 29.149 29.700 -0.002 0.000 0.792 209 E HN 0.392 nan 8.360 nan 0.000 0.542 210 T N -1.705 112.853 114.554 0.007 0.000 2.969 210 T HA 0.203 4.553 4.350 -0.000 0.000 0.250 210 T C 1.185 175.905 174.700 0.033 0.000 1.021 210 T CA 0.426 62.537 62.100 0.019 0.000 1.003 210 T CB 0.789 69.670 68.868 0.021 0.000 1.040 210 T HN 0.263 nan 8.240 nan 0.000 0.492 211 G N 1.983 110.798 108.800 0.025 0.000 2.249 211 G HA2 0.004 3.964 3.960 -0.000 0.000 0.273 211 G HA3 0.004 3.964 3.960 -0.000 0.000 0.273 211 G C 0.088 175.045 174.900 0.095 0.000 1.036 211 G CA 0.185 45.310 45.100 0.042 0.000 0.824 211 G HN 0.938 nan 8.290 nan 0.000 0.504 212 A N -1.362 121.498 122.820 0.067 0.000 2.430 212 A HA 0.897 5.217 4.320 -0.000 0.000 0.300 212 A C -0.345 177.279 177.584 0.067 0.000 1.124 212 A CA -0.338 51.755 52.037 0.095 0.000 0.766 212 A CB 2.176 21.218 19.000 0.070 0.000 1.328 212 A HN 1.181 nan 8.150 nan 0.000 0.424 213 V N 1.977 121.945 119.914 0.090 0.000 2.284 213 V HA 0.280 4.400 4.120 -0.000 0.000 0.274 213 V C -0.399 175.717 176.094 0.036 0.000 1.023 213 V CA -0.308 62.030 62.300 0.064 0.000 0.808 213 V CB 0.608 32.492 31.823 0.101 0.000 1.035 213 V HN 0.889 nan 8.190 nan 0.000 0.445 214 E N 5.325 125.535 120.200 0.016 0.000 2.200 214 E HA 0.597 4.947 4.350 -0.000 0.000 0.283 214 E C -1.034 175.561 176.600 -0.007 0.000 1.015 214 E CA -0.397 56.004 56.400 0.002 0.000 0.819 214 E CB 1.815 31.513 29.700 -0.002 0.000 1.081 214 E HN 0.521 nan 8.360 nan 0.000 0.397 215 L N 2.807 124.022 121.223 -0.014 0.000 2.362 215 L HA 0.318 4.658 4.340 -0.000 0.000 0.275 215 L C -0.031 176.822 176.870 -0.027 0.000 0.998 215 L CA -1.050 53.778 54.840 -0.020 0.000 0.820 215 L CB 1.683 43.730 42.059 -0.021 0.000 1.270 215 L HN 0.352 nan 8.230 nan 0.000 0.415 216 E N 2.218 122.401 120.200 -0.028 0.000 2.003 216 E HA 0.073 4.423 4.350 -0.000 0.000 0.279 216 E C 0.507 177.071 176.600 -0.060 0.000 1.132 216 E CA -0.006 56.371 56.400 -0.038 0.000 0.888 216 E CB 0.867 30.548 29.700 -0.030 0.000 1.056 216 E HN 0.691 nan 8.360 nan 0.000 0.399 217 S N 1.734 117.389 115.700 -0.075 0.000 3.348 217 S HA -0.181 4.289 4.470 -0.000 0.000 0.366 217 S C -2.245 172.245 174.600 -0.183 0.000 0.953 217 S CA -0.005 58.123 58.200 -0.121 0.000 1.255 217 S CB -1.755 61.368 63.200 -0.127 0.000 0.906 217 S HN 0.256 nan 8.310 nan 0.000 0.495 218 P HA 0.584 nan 4.420 nan 0.000 0.279 218 P C 0.370 177.572 177.300 -0.164 0.000 1.282 218 P CA -0.760 62.288 63.100 -0.088 0.000 0.788 218 P CB 0.312 32.017 31.700 0.009 0.000 1.139 219 F N -0.707 119.236 119.950 -0.012 0.000 2.368 219 F HA 0.443 4.970 4.527 -0.000 0.000 0.315 219 F C 0.750 176.549 175.800 -0.002 0.000 1.145 219 F CA 0.030 58.026 58.000 -0.006 0.000 1.095 219 F CB 0.152 39.148 39.000 -0.006 0.000 1.286 219 F HN -0.008 nan 8.300 nan 0.000 0.530 220 I N 2.311 123.001 120.570 0.200 0.000 2.647 220 I HA 0.316 4.486 4.170 -0.000 0.000 0.295 220 I C -1.340 174.843 176.117 0.109 0.000 1.078 220 I CA -0.904 60.469 61.300 0.120 0.000 1.048 220 I CB 2.151 40.201 38.000 0.083 0.000 1.239 220 I HN 0.237 nan 8.210 nan 0.000 0.421 221 L N 6.554 127.828 121.223 0.085 0.000 2.334 221 L HA 0.587 4.927 4.340 -0.000 0.000 0.276 221 L C -1.156 175.749 176.870 0.060 0.000 1.014 221 L CA -0.580 54.299 54.840 0.065 0.000 0.815 221 L CB 1.788 43.877 42.059 0.050 0.000 1.268 221 L HN 0.618 nan 8.230 nan 0.000 0.428 222 L N 5.542 126.792 121.223 0.046 0.000 2.556 222 L HA 0.411 4.751 4.340 -0.000 0.000 0.243 222 L C 0.588 177.473 176.870 0.025 0.000 1.331 222 L CA -0.354 54.508 54.840 0.037 0.000 0.927 222 L CB 1.031 43.111 42.059 0.034 0.000 1.219 222 L HN 0.719 nan 8.230 nan 0.000 0.490 223 A N 0.198 123.033 122.820 0.025 0.000 2.262 223 A HA 0.209 4.529 4.320 -0.000 0.000 0.273 223 A C 0.491 178.083 177.584 0.012 0.000 1.202 223 A CA 0.411 52.459 52.037 0.019 0.000 0.811 223 A CB 0.381 19.395 19.000 0.022 0.000 1.159 223 A HN 0.604 nan 8.150 nan 0.000 0.505 224 D N -2.569 117.837 120.400 0.010 0.000 2.530 224 D HA 0.161 4.801 4.640 -0.000 0.000 0.253 224 D C 0.067 176.372 176.300 0.009 0.000 1.338 224 D CA 0.093 54.096 54.000 0.006 0.000 0.806 224 D CB 0.017 40.819 40.800 0.004 0.000 1.160 224 D HN 0.642 nan 8.370 nan 0.000 0.514 225 K N -0.897 119.511 120.400 0.013 0.000 2.263 225 K HA 0.654 4.974 4.320 -0.000 0.000 0.249 225 K C -0.898 175.714 176.600 0.019 0.000 1.076 225 K CA -1.050 55.246 56.287 0.015 0.000 0.884 225 K CB 1.173 33.681 32.500 0.013 0.000 1.394 225 K HN -0.326 nan 8.250 nan 0.000 0.476 226 K N 0.748 121.160 120.400 0.020 0.000 2.174 226 K HA 0.356 4.676 4.320 -0.000 0.000 0.275 226 K C -0.554 176.060 176.600 0.024 0.000 1.015 226 K CA -0.442 55.859 56.287 0.024 0.000 0.933 226 K CB 0.646 33.159 32.500 0.021 0.000 1.025 226 K HN 0.441 nan 8.250 nan 0.000 0.463 227 I N 2.866 123.454 120.570 0.030 0.000 2.354 227 I HA 0.114 4.284 4.170 -0.000 0.000 0.286 227 I C 0.822 176.956 176.117 0.029 0.000 1.007 227 I CA -0.102 61.215 61.300 0.029 0.000 1.167 227 I CB 0.645 38.666 38.000 0.035 0.000 1.320 227 I HN 0.771 nan 8.210 nan 0.000 0.458 228 S N 4.515 120.228 115.700 0.021 0.000 2.517 228 S HA 0.124 4.594 4.470 -0.000 0.000 0.228 228 S C 0.799 175.409 174.600 0.016 0.000 1.060 228 S CA -0.054 58.157 58.200 0.018 0.000 0.937 228 S CB 0.150 63.358 63.200 0.014 0.000 0.840 228 S HN 0.610 nan 8.310 nan 0.000 0.546 229 N N 1.059 119.767 118.700 0.013 0.000 2.499 229 N HA 0.272 5.011 4.740 -0.000 0.000 0.281 229 N C 0.441 175.958 175.510 0.012 0.000 1.098 229 N CA -0.215 52.842 53.050 0.011 0.000 0.979 229 N CB 1.071 39.562 38.487 0.008 0.000 1.121 229 N HN 0.166 nan 8.380 nan 0.000 0.466 230 I N 3.257 123.834 120.570 0.011 0.000 2.493 230 I HA -0.109 4.061 4.170 -0.000 0.000 0.254 230 I C 2.424 178.544 176.117 0.006 0.000 1.160 230 I CA 0.499 61.806 61.300 0.011 0.000 1.445 230 I CB -0.592 37.414 38.000 0.010 0.000 1.086 230 I HN 0.617 nan 8.210 nan 0.000 0.433 231 R N 1.623 122.125 120.500 0.004 0.000 2.222 231 R HA -0.359 3.981 4.340 -0.000 0.000 0.235 231 R C 2.160 178.459 176.300 -0.001 0.000 1.112 231 R CA 2.788 58.889 56.100 0.001 0.000 0.897 231 R CB -0.440 29.861 30.300 0.001 0.000 0.882 231 R HN 0.318 nan 8.270 nan 0.000 0.429 232 E N -0.037 120.163 120.200 0.001 0.000 2.233 232 E HA -0.278 4.072 4.350 -0.000 0.000 0.210 232 E C 1.876 178.473 176.600 -0.005 0.000 1.046 232 E CA 2.392 58.791 56.400 -0.001 0.000 0.844 232 E CB -0.314 29.388 29.700 0.003 0.000 0.741 232 E HN 0.369 nan 8.360 nan 0.000 0.465 233 M N -0.319 119.278 119.600 -0.004 0.000 2.099 233 M HA -0.016 4.464 4.480 -0.000 0.000 0.262 233 M C 1.965 178.254 176.300 -0.019 0.000 1.067 233 M CA 1.185 56.479 55.300 -0.010 0.000 1.124 233 M CB -0.609 31.988 32.600 -0.005 0.000 1.353 233 M HN 0.071 nan 8.290 nan 0.000 0.410 234 L N 0.014 121.228 121.223 -0.015 0.000 2.166 234 L HA -0.329 4.011 4.340 -0.000 0.000 0.228 234 L C -0.425 176.429 176.870 -0.027 0.000 1.101 234 L CA 2.041 56.870 54.840 -0.019 0.000 0.821 234 L CB -2.848 39.203 42.059 -0.013 0.000 0.908 234 L HN 0.258 nan 8.230 nan 0.000 0.447 235 P HA -0.161 nan 4.420 nan 0.000 0.210 235 P C 1.829 179.098 177.300 -0.052 0.000 1.189 235 P CA 2.521 65.601 63.100 -0.034 0.000 0.920 235 P CB -0.316 31.367 31.700 -0.028 0.000 0.782 236 V N -1.724 118.156 119.914 -0.056 0.000 2.295 236 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 236 V C 2.696 178.731 176.094 -0.099 0.000 1.049 236 V CA 1.728 63.977 62.300 -0.085 0.000 1.024 236 V CB -2.227 29.554 31.823 -0.070 0.000 0.648 236 V HN -0.088 nan 8.190 nan 0.000 0.447 237 L N 1.121 122.304 121.223 -0.066 0.000 2.189 237 L HA -0.180 4.160 4.340 -0.000 0.000 0.214 237 L C 2.511 179.342 176.870 -0.065 0.000 1.097 237 L CA 2.539 57.344 54.840 -0.059 0.000 0.764 237 L CB -0.799 41.240 42.059 -0.034 0.000 0.900 237 L HN 0.687 nan 8.230 nan 0.000 0.436 238 E N -1.494 118.668 120.200 -0.064 0.000 2.276 238 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 238 E C 2.061 178.612 176.600 -0.083 0.000 0.983 238 E CA 0.620 56.985 56.400 -0.059 0.000 0.861 238 E CB 0.057 29.730 29.700 -0.044 0.000 0.817 238 E HN 0.544 nan 8.360 nan 0.000 0.485 239 A N 1.118 123.869 122.820 -0.115 0.000 1.873 239 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 239 A C 2.313 179.760 177.584 -0.229 0.000 1.186 239 A CA 1.585 53.527 52.037 -0.158 0.000 0.616 239 A CB -0.842 18.048 19.000 -0.184 0.000 0.823 239 A HN 0.298 nan 8.150 nan 0.000 0.442 240 V N -3.027 116.714 119.914 -0.288 0.000 3.380 240 V HA 0.251 4.371 4.120 -0.000 0.000 0.268 240 V C 2.102 178.123 176.094 -0.123 0.000 1.168 240 V CA 1.294 63.392 62.300 -0.336 0.000 1.156 240 V CB -1.032 30.601 31.823 -0.317 0.000 0.785 240 V HN 0.487 nan 8.190 nan 0.000 0.487 241 A N 0.996 123.760 122.820 -0.093 0.000 1.861 241 A HA 0.049 4.369 4.320 -0.000 0.000 0.212 241 A C 2.238 179.804 177.584 -0.030 0.000 1.199 241 A CA 1.363 53.374 52.037 -0.044 0.000 0.613 241 A CB -0.353 18.623 19.000 -0.040 0.000 0.846 241 A HN 0.511 nan 8.150 nan 0.000 0.446 242 K N -0.043 120.332 120.400 -0.042 0.000 2.459 242 K HA 0.200 4.520 4.320 -0.000 0.000 0.193 242 K C 1.606 178.199 176.600 -0.012 0.000 1.030 242 K CA 0.558 56.830 56.287 -0.024 0.000 1.026 242 K CB -0.014 32.469 32.500 -0.028 0.000 0.809 242 K HN 0.418 nan 8.250 nan 0.000 0.504 243 A N 0.648 123.454 122.820 -0.024 0.000 2.178 243 A HA 0.161 4.481 4.320 -0.000 0.000 0.211 243 A C 1.518 179.164 177.584 0.102 0.000 1.157 243 A CA 0.712 52.771 52.037 0.036 0.000 0.780 243 A CB -0.294 18.674 19.000 -0.053 0.000 0.828 243 A HN 0.351 nan 8.150 nan 0.000 0.476 244 G N -0.406 108.431 108.800 0.060 0.000 2.203 244 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.263 244 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.263 244 G C 0.163 175.122 174.900 0.097 0.000 1.012 244 G CA 1.095 46.233 45.100 0.063 0.000 0.749 244 G HN 0.624 nan 8.290 nan 0.000 0.512 245 K N -0.143 120.363 120.400 0.176 0.000 2.340 245 K HA 0.570 4.890 4.320 -0.000 0.000 0.244 245 K C -2.533 174.179 176.600 0.186 0.000 0.973 245 K CA -2.258 54.153 56.287 0.205 0.000 0.828 245 K CB 2.029 34.734 32.500 0.341 0.000 1.226 245 K HN -0.037 nan 8.250 nan 0.000 0.437 246 P HA 0.172 nan 4.420 nan 0.000 0.275 246 P C -1.256 176.131 177.300 0.146 0.000 1.266 246 P CA -0.631 62.516 63.100 0.077 0.000 0.793 246 P CB 0.524 32.238 31.700 0.023 0.000 1.074 247 L N 0.781 122.049 121.223 0.075 0.000 2.472 247 L HA 0.506 4.846 4.340 -0.000 0.000 0.260 247 L C -1.927 174.960 176.870 0.028 0.000 0.963 247 L CA -0.808 54.092 54.840 0.100 0.000 0.829 247 L CB 1.799 43.903 42.059 0.075 0.000 1.348 247 L HN 0.281 nan 8.230 nan 0.000 0.408 248 L N 4.916 126.170 121.223 0.053 0.000 2.342 248 L HA 0.644 4.984 4.340 -0.000 0.000 0.271 248 L C -1.004 175.899 176.870 0.054 0.000 1.008 248 L CA -0.562 54.298 54.840 0.034 0.000 0.818 248 L CB 2.079 44.165 42.059 0.044 0.000 1.296 248 L HN 0.663 nan 8.230 nan 0.000 0.427 249 I N 4.553 125.158 120.570 0.058 0.000 2.646 249 I HA 0.496 4.666 4.170 -0.000 0.000 0.299 249 I C -0.697 175.481 176.117 0.102 0.000 1.036 249 I CA -0.672 60.671 61.300 0.072 0.000 1.074 249 I CB 2.540 40.576 38.000 0.061 0.000 1.258 249 I HN 0.449 nan 8.210 nan 0.000 0.430 250 I N 4.546 125.169 120.570 0.088 0.000 2.563 250 I HA 0.701 4.871 4.170 -0.000 0.000 0.285 250 I C -0.413 175.732 176.117 0.047 0.000 1.123 250 I CA -0.114 61.238 61.300 0.086 0.000 1.059 250 I CB 1.776 39.837 38.000 0.101 0.000 1.229 250 I HN 0.778 nan 8.210 nan 0.000 0.442 251 A N 4.557 127.401 122.820 0.040 0.000 2.493 251 A HA 0.536 4.856 4.320 -0.000 0.000 0.300 251 A C 0.509 178.106 177.584 0.023 0.000 1.152 251 A CA -0.489 51.563 52.037 0.025 0.000 0.643 251 A CB 0.952 19.971 19.000 0.031 0.000 1.316 251 A HN 0.500 nan 8.150 nan 0.000 0.469 252 E N 0.450 120.662 120.200 0.020 0.000 2.072 252 E HA -0.185 4.165 4.350 -0.000 0.000 0.218 252 E C 0.143 176.762 176.600 0.031 0.000 1.051 252 E CA 2.184 58.597 56.400 0.023 0.000 0.880 252 E CB 0.023 29.737 29.700 0.023 0.000 0.783 252 E HN 0.635 nan 8.360 nan 0.000 0.473 253 D N -2.526 117.896 120.400 0.037 0.000 3.010 253 D HA 0.216 4.856 4.640 -0.000 0.000 0.353 253 D C -1.636 174.695 176.300 0.051 0.000 1.415 253 D CA -0.395 53.633 54.000 0.047 0.000 0.864 253 D CB 1.359 42.181 40.800 0.036 0.000 1.445 253 D HN -0.138 nan 8.370 nan 0.000 0.516 254 V N 1.594 121.542 119.914 0.056 0.000 2.577 254 V HA 0.285 4.405 4.120 -0.000 0.000 0.294 254 V C -0.886 175.234 176.094 0.043 0.000 1.052 254 V CA -0.744 61.590 62.300 0.057 0.000 0.891 254 V CB 1.587 33.461 31.823 0.085 0.000 1.017 254 V HN 0.383 nan 8.190 nan 0.000 0.436 255 E N 2.376 122.594 120.200 0.031 0.000 2.354 255 E HA 0.436 4.786 4.350 -0.000 0.000 0.269 255 E C 1.454 178.064 176.600 0.017 0.000 1.036 255 E CA 0.674 57.085 56.400 0.019 0.000 0.876 255 E CB 1.280 30.988 29.700 0.014 0.000 1.009 255 E HN 0.713 nan 8.360 nan 0.000 0.416 256 G N 2.692 111.494 108.800 0.004 0.000 2.663 256 G HA2 -0.465 3.495 3.960 -0.000 0.000 0.222 256 G HA3 -0.465 3.495 3.960 -0.000 0.000 0.222 256 G C 1.312 176.212 174.900 0.001 0.000 1.146 256 G CA 1.525 46.622 45.100 -0.006 0.000 0.764 256 G HN 0.733 nan 8.290 nan 0.000 0.608 257 E N 0.393 120.594 120.200 0.003 0.000 2.082 257 E HA -0.260 4.090 4.350 -0.000 0.000 0.215 257 E C 2.656 179.263 176.600 0.011 0.000 1.048 257 E CA 1.969 58.371 56.400 0.004 0.000 0.869 257 E CB -0.406 29.298 29.700 0.006 0.000 0.773 257 E HN 0.442 nan 8.360 nan 0.000 0.466 258 A N 0.457 123.289 122.820 0.020 0.000 1.943 258 A HA 0.055 4.375 4.320 -0.000 0.000 0.213 258 A C 2.123 179.735 177.584 0.047 0.000 1.181 258 A CA 0.602 52.657 52.037 0.030 0.000 0.653 258 A CB -0.442 18.578 19.000 0.032 0.000 0.833 258 A HN 0.410 nan 8.150 nan 0.000 0.451 259 L N -0.217 121.035 121.223 0.048 0.000 1.937 259 L HA -0.095 4.245 4.340 -0.000 0.000 0.213 259 L C 2.826 179.723 176.870 0.046 0.000 1.077 259 L CA 1.675 56.556 54.840 0.069 0.000 0.758 259 L CB -0.580 41.507 42.059 0.046 0.000 0.888 259 L HN 0.357 nan 8.230 nan 0.000 0.433 260 A N -0.285 122.532 122.820 -0.005 0.000 1.954 260 A HA -0.363 3.957 4.320 -0.000 0.000 0.222 260 A C 2.296 179.871 177.584 -0.015 0.000 1.199 260 A CA 3.174 55.187 52.037 -0.042 0.000 0.657 260 A CB -1.652 17.317 19.000 -0.052 0.000 0.823 260 A HN 0.757 nan 8.150 nan 0.000 0.463 261 T N -1.446 113.114 114.554 0.010 0.000 2.684 261 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 261 T C 1.839 176.567 174.700 0.046 0.000 1.036 261 T CA 1.528 63.639 62.100 0.019 0.000 1.148 261 T CB -0.712 68.168 68.868 0.019 0.000 0.863 261 T HN 0.345 nan 8.240 nan 0.000 0.436 262 L N 0.867 122.140 121.223 0.084 0.000 1.989 262 L HA -0.105 4.235 4.340 -0.000 0.000 0.211 262 L C 3.017 180.008 176.870 0.201 0.000 1.071 262 L CA 1.215 56.133 54.840 0.129 0.000 0.749 262 L CB -0.989 41.175 42.059 0.174 0.000 0.890 262 L HN 0.168 nan 8.230 nan 0.000 0.431 263 V N -0.185 119.871 119.914 0.236 0.000 2.236 263 V HA -0.365 3.755 4.120 -0.000 0.000 0.255 263 V C 2.417 178.585 176.094 0.124 0.000 1.068 263 V CA 2.306 64.722 62.300 0.193 0.000 1.044 263 V CB -0.711 31.052 31.823 -0.101 0.000 0.653 263 V HN 0.250 nan 8.190 nan 0.000 0.448 264 V N 0.450 120.388 119.914 0.041 0.000 2.270 264 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 264 V C 2.420 178.547 176.094 0.056 0.000 1.043 264 V CA 2.176 64.495 62.300 0.032 0.000 1.014 264 V CB -1.103 30.721 31.823 0.001 0.000 0.645 264 V HN 0.693 nan 8.190 nan 0.000 0.447 265 N N 0.848 119.580 118.700 0.054 0.000 2.187 265 N HA -0.261 4.479 4.740 -0.000 0.000 0.194 265 N C 1.798 177.337 175.510 0.047 0.000 1.002 265 N CA 2.727 55.803 53.050 0.043 0.000 0.882 265 N CB -0.061 38.449 38.487 0.039 0.000 1.003 265 N HN 0.751 nan 8.380 nan 0.000 0.443 266 T N -1.663 112.938 114.554 0.079 0.000 2.988 266 T HA 0.079 4.429 4.350 -0.000 0.000 0.240 266 T C 1.414 176.167 174.700 0.088 0.000 1.014 266 T CA 0.230 62.374 62.100 0.073 0.000 1.155 266 T CB -0.506 68.410 68.868 0.080 0.000 0.872 266 T HN 0.284 nan 8.240 nan 0.000 0.440 267 M N 1.884 121.562 119.600 0.129 0.000 2.921 267 M HA 0.563 5.043 4.480 -0.000 0.000 0.319 267 M C 0.543 176.890 176.300 0.079 0.000 1.710 267 M CA 0.551 55.925 55.300 0.124 0.000 1.471 267 M CB -1.157 31.554 32.600 0.185 0.000 1.832 267 M HN 0.538 nan 8.290 nan 0.000 0.467 268 R N 1.063 121.598 120.500 0.057 0.000 3.125 268 R HA 0.082 4.422 4.340 -0.000 0.000 0.258 268 R C -0.322 175.998 176.300 0.034 0.000 0.968 268 R CA 0.845 56.969 56.100 0.039 0.000 0.656 268 R CB -3.058 27.265 30.300 0.039 0.000 1.251 268 R HN 1.657 nan 8.270 nan 0.000 0.428 269 G N -1.069 107.750 108.800 0.031 0.000 2.690 269 G HA2 0.706 4.666 3.960 -0.000 0.000 0.291 269 G HA3 0.706 4.666 3.960 -0.000 0.000 0.291 269 G C 0.927 175.837 174.900 0.016 0.000 1.403 269 G CA -0.276 44.839 45.100 0.024 0.000 0.864 269 G HN 0.507 nan 8.290 nan 0.000 0.480 270 I N -0.249 120.327 120.570 0.011 0.000 2.126 270 I HA -0.144 4.026 4.170 -0.000 0.000 0.200 270 I C 1.077 177.196 176.117 0.003 0.000 1.014 270 I CA 0.948 62.252 61.300 0.006 0.000 1.339 270 I CB -0.415 37.587 38.000 0.002 0.000 1.086 270 I HN 0.050 nan 8.210 nan 0.000 0.393 271 V N 2.428 122.342 119.914 -0.001 0.000 2.450 271 V HA -0.014 4.106 4.120 -0.000 0.000 0.281 271 V C 0.220 176.307 176.094 -0.011 0.000 1.019 271 V CA 0.114 62.410 62.300 -0.006 0.000 1.062 271 V CB 0.147 31.962 31.823 -0.014 0.000 0.979 271 V HN 0.266 nan 8.190 nan 0.000 0.477 272 K N 4.944 125.335 120.400 -0.014 0.000 2.293 272 K HA 0.663 4.983 4.320 -0.000 0.000 0.267 272 K C -0.614 175.946 176.600 -0.067 0.000 1.010 272 K CA -0.424 55.846 56.287 -0.029 0.000 0.875 272 K CB 1.363 33.855 32.500 -0.013 0.000 1.106 272 K HN 0.665 nan 8.250 nan 0.000 0.450 273 V N -0.321 119.512 119.914 -0.135 0.000 3.112 273 V HA 0.990 5.110 4.120 -0.000 0.000 0.310 273 V C -1.395 174.396 176.094 -0.505 0.000 1.364 273 V CA -0.828 61.348 62.300 -0.207 0.000 1.058 273 V CB 1.448 33.195 31.823 -0.126 0.000 1.079 273 V HN 0.782 nan 8.190 nan 0.000 0.463 274 A N -0.497 122.009 122.820 -0.523 0.000 2.599 274 A HA 1.107 5.427 4.320 -0.000 0.000 0.290 274 A C -0.594 176.817 177.584 -0.288 0.000 1.101 274 A CA -0.325 51.145 52.037 -0.945 0.000 0.674 274 A CB 1.148 19.556 19.000 -0.985 0.000 1.277 274 A HN 2.793 nan 8.150 nan 0.000 0.419 275 A N -0.705 122.113 122.820 -0.003 0.000 2.594 275 A HA 0.878 5.198 4.320 -0.000 0.000 0.295 275 A C -0.827 176.922 177.584 0.276 0.000 1.071 275 A CA 0.022 52.154 52.037 0.158 0.000 0.685 275 A CB 1.194 20.280 19.000 0.143 0.000 1.285 275 A HN 2.392 nan 8.150 nan 0.000 0.405 276 V N -1.315 118.731 119.914 0.219 0.000 3.049 276 V HA 0.670 4.790 4.120 -0.000 0.000 0.309 276 V C -0.413 175.786 176.094 0.175 0.000 1.148 276 V CA -1.269 61.167 62.300 0.226 0.000 0.990 276 V CB 1.387 33.369 31.823 0.265 0.000 1.039 276 V HN 0.948 nan 8.190 nan 0.000 0.430 277 K N 1.684 122.166 120.400 0.136 0.000 2.344 277 K HA 0.580 4.900 4.320 -0.000 0.000 0.260 277 K C 0.383 176.987 176.600 0.007 0.000 0.988 277 K CA 0.522 56.851 56.287 0.070 0.000 0.909 277 K CB 0.571 33.102 32.500 0.052 0.000 0.968 277 K HN 1.139 nan 8.250 nan 0.000 0.505 278 A N 3.018 125.802 122.820 -0.060 0.000 2.316 278 A HA 0.352 4.672 4.320 -0.000 0.000 0.284 278 A C -2.108 175.322 177.584 -0.257 0.000 1.115 278 A CA -1.479 50.437 52.037 -0.201 0.000 0.812 278 A CB -0.010 18.916 19.000 -0.122 0.000 1.064 278 A HN 0.498 nan 8.150 nan 0.000 0.489 279 P HA 0.365 nan 4.420 nan 0.000 0.272 279 P C 0.549 177.773 177.300 -0.126 0.000 1.240 279 P CA 1.193 64.090 63.100 -0.339 0.000 0.791 279 P CB 0.450 31.822 31.700 -0.548 0.000 0.978 280 G N 0.853 109.656 108.800 0.005 0.000 2.901 280 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.654 280 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.654 280 G C -0.820 174.181 174.900 0.169 0.000 1.550 280 G CA -0.221 44.918 45.100 0.065 0.000 0.978 280 G HN 0.656 nan 8.290 nan 0.000 0.566 281 F N -0.298 119.635 119.950 -0.028 0.000 2.565 281 F HA 0.835 5.362 4.527 -0.000 0.000 0.313 281 F C 0.942 176.737 175.800 -0.008 0.000 1.091 281 F CA -0.304 57.685 58.000 -0.017 0.000 0.915 281 F CB 1.241 40.239 39.000 -0.003 0.000 1.208 281 F HN 2.316 nan 8.300 nan 0.000 0.453 282 G N 2.310 111.149 108.800 0.066 0.000 2.527 282 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.268 282 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.268 282 G C 0.495 175.354 174.900 -0.068 0.000 1.175 282 G CA 0.425 45.523 45.100 -0.003 0.000 0.962 282 G HN 0.762 nan 8.290 nan 0.000 0.560 283 D N 0.397 120.745 120.400 -0.088 0.000 2.172 283 D HA -0.136 4.504 4.640 -0.000 0.000 0.196 283 D C 2.434 178.666 176.300 -0.114 0.000 0.999 283 D CA 1.700 55.649 54.000 -0.085 0.000 0.856 283 D CB -0.135 40.617 40.800 -0.081 0.000 0.934 283 D HN 0.320 nan 8.370 nan 0.000 0.453 284 R N 1.065 121.455 120.500 -0.183 0.000 2.103 284 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 284 R C 2.379 178.602 176.300 -0.129 0.000 1.132 284 R CA 1.859 57.844 56.100 -0.192 0.000 0.925 284 R CB -0.517 29.601 30.300 -0.303 0.000 0.842 284 R HN 0.317 nan 8.270 nan 0.000 0.430 285 R N 0.807 121.242 120.500 -0.108 0.000 2.153 285 R HA -0.212 4.128 4.340 -0.000 0.000 0.252 285 R C 1.634 177.893 176.300 -0.068 0.000 1.158 285 R CA 1.671 57.725 56.100 -0.078 0.000 0.975 285 R CB -0.518 29.756 30.300 -0.043 0.000 0.871 285 R HN 0.034 nan 8.270 nan 0.000 0.450 286 K N 1.046 121.411 120.400 -0.058 0.000 1.998 286 K HA -0.232 4.088 4.320 -0.000 0.000 0.228 286 K C 2.306 178.879 176.600 -0.045 0.000 1.053 286 K CA 2.190 58.450 56.287 -0.045 0.000 0.988 286 K CB -0.950 31.524 32.500 -0.042 0.000 0.735 286 K HN 0.412 nan 8.250 nan 0.000 0.448 287 A N 1.743 124.532 122.820 -0.052 0.000 1.858 287 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 287 A C 2.289 179.845 177.584 -0.047 0.000 1.190 287 A CA 2.037 54.047 52.037 -0.046 0.000 0.617 287 A CB -0.454 18.515 19.000 -0.052 0.000 0.827 287 A HN 0.251 nan 8.150 nan 0.000 0.443 288 M N -1.259 118.303 119.600 -0.064 0.000 3.092 288 M HA -0.295 4.185 4.480 -0.000 0.000 0.270 288 M C 2.218 178.482 176.300 -0.061 0.000 1.042 288 M CA 2.297 57.554 55.300 -0.073 0.000 1.052 288 M CB -1.542 30.994 32.600 -0.106 0.000 1.250 288 M HN 0.478 nan 8.290 nan 0.000 0.529 289 L N 0.505 121.688 121.223 -0.067 0.000 2.013 289 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 289 L C 2.595 179.456 176.870 -0.015 0.000 1.073 289 L CA 2.322 57.136 54.840 -0.045 0.000 0.753 289 L CB -0.994 41.042 42.059 -0.039 0.000 0.890 289 L HN 0.416 nan 8.230 nan 0.000 0.432 290 Q N 0.020 119.809 119.800 -0.017 0.000 2.062 290 Q HA -0.280 4.060 4.340 -0.000 0.000 0.209 290 Q C 1.777 177.777 176.000 -0.000 0.000 0.996 290 Q CA 2.541 58.339 55.803 -0.007 0.000 0.859 290 Q CB -0.658 28.072 28.738 -0.013 0.000 0.920 290 Q HN 0.649 nan 8.270 nan 0.000 0.415 291 D N -0.165 120.232 120.400 -0.005 0.000 2.154 291 D HA -0.217 4.423 4.640 -0.000 0.000 0.190 291 D C 1.858 178.171 176.300 0.021 0.000 1.003 291 D CA 2.021 56.024 54.000 0.005 0.000 0.849 291 D CB -0.348 40.454 40.800 0.002 0.000 0.942 291 D HN 0.389 nan 8.370 nan 0.000 0.446 292 I N 0.799 121.388 120.570 0.032 0.000 2.127 292 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 292 I C 2.492 178.635 176.117 0.043 0.000 1.075 292 I CA 1.177 62.512 61.300 0.057 0.000 1.334 292 I CB -0.463 37.588 38.000 0.084 0.000 1.040 292 I HN 0.003 nan 8.210 nan 0.000 0.405 293 A N 0.838 123.677 122.820 0.032 0.000 1.870 293 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 293 A C 2.378 179.976 177.584 0.023 0.000 1.224 293 A CA 3.120 55.174 52.037 0.028 0.000 0.650 293 A CB -1.455 17.557 19.000 0.020 0.000 0.836 293 A HN 0.439 nan 8.150 nan 0.000 0.454 294 T N 0.042 114.606 114.554 0.017 0.000 2.592 294 T HA -0.265 4.085 4.350 -0.000 0.000 0.267 294 T C 1.836 176.545 174.700 0.014 0.000 1.060 294 T CA 1.920 64.028 62.100 0.013 0.000 1.167 294 T CB -0.647 68.226 68.868 0.009 0.000 0.863 294 T HN 0.420 nan 8.240 nan 0.000 0.431 295 L N 1.590 122.823 121.223 0.018 0.000 2.043 295 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 295 L C 2.598 179.476 176.870 0.014 0.000 1.075 295 L CA 2.582 57.432 54.840 0.016 0.000 0.752 295 L CB -1.323 40.751 42.059 0.024 0.000 0.891 295 L HN 0.530 nan 8.230 nan 0.000 0.432 296 T N -3.649 110.917 114.554 0.021 0.000 3.088 296 T HA 0.233 4.583 4.350 -0.000 0.000 0.259 296 T C 1.439 176.148 174.700 0.016 0.000 1.122 296 T CA 0.411 62.522 62.100 0.018 0.000 1.095 296 T CB -0.576 68.311 68.868 0.032 0.000 0.930 296 T HN 0.792 nan 8.240 nan 0.000 0.508 297 G N 0.650 109.460 108.800 0.017 0.000 2.221 297 G HA2 0.014 3.974 3.960 -0.000 0.000 0.265 297 G HA3 0.014 3.974 3.960 -0.000 0.000 0.265 297 G C 0.296 175.213 174.900 0.027 0.000 1.041 297 G CA -0.101 45.010 45.100 0.017 0.000 0.807 297 G HN 1.051 nan 8.290 nan 0.000 0.502 298 G N -1.591 107.228 108.800 0.032 0.000 2.552 298 G HA2 0.732 4.692 3.960 -0.000 0.000 0.324 298 G HA3 0.732 4.692 3.960 -0.000 0.000 0.324 298 G C -0.271 174.649 174.900 0.032 0.000 1.217 298 G CA 0.147 45.272 45.100 0.041 0.000 0.989 298 G HN 0.514 nan 8.290 nan 0.000 0.490 299 T N 0.267 114.841 114.554 0.033 0.000 2.829 299 T HA 0.446 4.796 4.350 -0.000 0.000 0.282 299 T C 0.279 174.992 174.700 0.021 0.000 0.990 299 T CA -0.286 61.828 62.100 0.023 0.000 1.028 299 T CB 1.392 70.272 68.868 0.020 0.000 0.951 299 T HN 0.769 nan 8.240 nan 0.000 0.460 300 V N 1.724 121.647 119.914 0.015 0.000 2.385 300 V HA 0.507 4.627 4.120 -0.000 0.000 0.269 300 V C -0.204 175.895 176.094 0.009 0.000 1.043 300 V CA -0.928 61.380 62.300 0.012 0.000 0.906 300 V CB -0.171 31.656 31.823 0.007 0.000 0.995 300 V HN 0.647 nan 8.190 nan 0.000 0.467 301 I N 4.906 125.482 120.570 0.011 0.000 2.311 301 I HA 0.248 4.418 4.170 -0.000 0.000 0.297 301 I C 0.821 176.942 176.117 0.006 0.000 1.131 301 I CA 0.935 62.240 61.300 0.008 0.000 1.289 301 I CB 0.177 38.182 38.000 0.009 0.000 1.446 301 I HN 0.681 nan 8.210 nan 0.000 0.524 302 S N 5.744 121.447 115.700 0.004 0.000 2.429 302 S HA 0.277 4.747 4.470 -0.000 0.000 0.302 302 S C 1.056 175.657 174.600 0.003 0.000 1.115 302 S CA -0.716 57.486 58.200 0.003 0.000 1.095 302 S CB 1.384 64.584 63.200 0.000 0.000 0.987 302 S HN 0.464 nan 8.310 nan 0.000 0.474 303 E N 2.265 122.467 120.200 0.004 0.000 2.268 303 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 303 E C 0.517 177.118 176.600 0.003 0.000 0.995 303 E CA 0.785 57.187 56.400 0.004 0.000 0.836 303 E CB 0.003 29.706 29.700 0.005 0.000 0.763 303 E HN 0.719 nan 8.360 nan 0.000 0.491 304 E N 0.155 120.356 120.200 0.002 0.000 2.382 304 E HA 0.053 4.403 4.350 -0.000 0.000 0.190 304 E C 0.992 177.592 176.600 0.000 0.000 1.125 304 E CA 0.060 56.460 56.400 0.001 0.000 0.929 304 E CB 0.042 29.742 29.700 -0.000 0.000 1.053 304 E HN 0.264 nan 8.360 nan 0.000 0.475 305 I N -2.103 118.467 120.570 0.001 0.000 4.765 305 I HA 0.160 4.330 4.170 -0.000 0.000 0.349 305 I C 1.331 177.449 176.117 0.001 0.000 1.278 305 I CA 0.046 61.346 61.300 0.001 0.000 1.331 305 I CB 1.147 39.148 38.000 0.001 0.000 1.570 305 I HN 0.236 nan 8.210 nan 0.000 0.538 306 G N 2.020 110.821 108.800 0.001 0.000 2.284 306 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.247 306 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.247 306 G C 0.483 175.384 174.900 0.002 0.000 1.012 306 G CA 0.039 45.140 45.100 0.002 0.000 0.618 306 G HN 0.258 nan 8.290 nan 0.000 0.521 307 M N 1.224 120.826 119.600 0.002 0.000 2.261 307 M HA 0.344 4.824 4.480 -0.000 0.000 0.350 307 M C 0.550 176.852 176.300 0.002 0.000 1.343 307 M CA 1.004 56.306 55.300 0.002 0.000 1.003 307 M CB 0.457 33.059 32.600 0.003 0.000 1.848 307 M HN 0.416 nan 8.290 nan 0.000 0.456 308 E N 2.210 122.411 120.200 0.001 0.000 2.355 308 E HA 0.370 4.720 4.350 -0.000 0.000 0.261 308 E C 0.141 176.742 176.600 0.001 0.000 0.943 308 E CA -0.679 55.722 56.400 0.002 0.000 0.806 308 E CB 1.486 31.187 29.700 0.001 0.000 1.286 308 E HN 0.733 nan 8.360 nan 0.000 0.424 309 L N 0.819 122.043 121.223 0.001 0.000 2.044 309 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 309 L C 2.146 179.013 176.870 -0.005 0.000 1.075 309 L CA 1.079 55.919 54.840 -0.000 0.000 0.747 309 L CB -0.423 41.637 42.059 0.002 0.000 0.903 309 L HN 0.623 nan 8.230 nan 0.000 0.435 310 E N 0.574 120.771 120.200 -0.005 0.000 2.219 310 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 310 E C 0.441 177.036 176.600 -0.009 0.000 0.998 310 E CA 0.999 57.394 56.400 -0.008 0.000 0.818 310 E CB -0.038 29.658 29.700 -0.006 0.000 0.741 310 E HN 0.220 nan 8.360 nan 0.000 0.477 311 K N 0.720 121.117 120.400 -0.006 0.000 2.502 311 K HA 0.347 4.667 4.320 -0.000 0.000 0.244 311 K C -1.021 175.575 176.600 -0.006 0.000 1.249 311 K CA -0.060 56.223 56.287 -0.006 0.000 1.193 311 K CB 1.104 33.602 32.500 -0.003 0.000 1.674 311 K HN 0.062 nan 8.250 nan 0.000 0.302 312 A N 0.346 123.159 122.820 -0.011 0.000 2.547 312 A HA 0.614 4.934 4.320 -0.000 0.000 0.298 312 A C -0.724 176.847 177.584 -0.022 0.000 1.062 312 A CA -0.749 51.281 52.037 -0.012 0.000 0.748 312 A CB 1.166 20.161 19.000 -0.009 0.000 1.288 312 A HN 0.246 nan 8.150 nan 0.000 0.396 313 T N 2.069 116.610 114.554 -0.021 0.000 2.916 313 T HA 0.469 4.819 4.350 -0.000 0.000 0.292 313 T C 1.247 175.929 174.700 -0.030 0.000 1.055 313 T CA -0.572 61.508 62.100 -0.033 0.000 1.009 313 T CB 1.097 69.951 68.868 -0.024 0.000 1.118 313 T HN 0.500 nan 8.240 nan 0.000 0.497 314 L N 1.287 122.475 121.223 -0.059 0.000 2.085 314 L HA -0.241 4.099 4.340 -0.000 0.000 0.218 314 L C 2.559 179.457 176.870 0.047 0.000 1.080 314 L CA 1.989 56.805 54.840 -0.040 0.000 0.776 314 L CB -1.180 40.834 42.059 -0.075 0.000 0.891 314 L HN 0.878 nan 8.230 nan 0.000 0.437 315 E N -0.975 119.244 120.200 0.033 0.000 2.444 315 E HA -0.246 4.104 4.350 -0.000 0.000 0.204 315 E C 0.771 177.395 176.600 0.041 0.000 1.049 315 E CA 1.484 57.908 56.400 0.042 0.000 0.872 315 E CB -0.401 29.313 29.700 0.024 0.000 0.791 315 E HN 0.621 nan 8.360 nan 0.000 0.548 316 D N 0.063 120.485 120.400 0.037 0.000 2.417 316 D HA 0.100 4.740 4.640 -0.000 0.000 0.207 316 D C 0.117 176.450 176.300 0.054 0.000 1.075 316 D CA -0.059 53.962 54.000 0.035 0.000 0.851 316 D CB 0.375 41.187 40.800 0.020 0.000 0.976 316 D HN 0.116 nan 8.370 nan 0.000 0.505 317 L N 0.961 122.234 121.223 0.083 0.000 2.418 317 L HA 0.399 4.739 4.340 -0.000 0.000 0.265 317 L C 1.358 178.304 176.870 0.127 0.000 1.143 317 L CA -0.099 54.816 54.840 0.126 0.000 0.809 317 L CB 0.942 43.129 42.059 0.214 0.000 1.124 317 L HN -0.165 nan 8.230 nan 0.000 0.456 318 G N 0.416 109.280 108.800 0.107 0.000 2.557 318 G HA2 0.682 4.642 3.960 -0.000 0.000 0.302 318 G HA3 0.682 4.642 3.960 -0.000 0.000 0.302 318 G C -1.128 173.799 174.900 0.045 0.000 1.311 318 G CA -0.348 44.792 45.100 0.066 0.000 1.030 318 G HN 0.506 nan 8.290 nan 0.000 0.509 319 Q N -1.662 118.133 119.800 -0.008 0.000 2.386 319 Q HA 0.555 4.895 4.340 -0.000 0.000 0.274 319 Q C -1.320 174.640 176.000 -0.067 0.000 1.011 319 Q CA -0.754 55.002 55.803 -0.079 0.000 0.867 319 Q CB 2.540 31.185 28.738 -0.156 0.000 1.409 319 Q HN 0.877 nan 8.270 nan 0.000 0.395 320 A N 1.283 124.054 122.820 -0.081 0.000 2.486 320 A HA 0.420 4.740 4.320 -0.000 0.000 0.300 320 A C -0.185 177.352 177.584 -0.079 0.000 1.048 320 A CA -0.659 51.341 52.037 -0.062 0.000 0.696 320 A CB 1.298 20.275 19.000 -0.038 0.000 1.278 320 A HN 0.756 nan 8.150 nan 0.000 0.405 321 K N 0.166 120.525 120.400 -0.068 0.000 2.281 321 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 321 K C 0.669 177.234 176.600 -0.059 0.000 1.046 321 K CA 1.305 57.551 56.287 -0.068 0.000 0.938 321 K CB 0.026 32.494 32.500 -0.054 0.000 0.737 321 K HN 0.614 nan 8.250 nan 0.000 0.458 322 R N -1.273 119.196 120.500 -0.051 0.000 2.766 322 R HA 0.523 4.863 4.340 -0.000 0.000 0.270 322 R C -1.902 174.373 176.300 -0.041 0.000 1.035 322 R CA -0.793 55.282 56.100 -0.043 0.000 0.911 322 R CB 2.673 32.952 30.300 -0.036 0.000 1.243 322 R HN -0.105 nan 8.270 nan 0.000 0.460 323 V N 1.013 120.906 119.914 -0.036 0.000 2.915 323 V HA 0.479 4.599 4.120 -0.000 0.000 0.273 323 V C -1.923 174.154 176.094 -0.029 0.000 1.538 323 V CA -0.578 61.698 62.300 -0.040 0.000 0.946 323 V CB 1.916 33.719 31.823 -0.034 0.000 1.183 323 V HN 0.618 nan 8.190 nan 0.000 0.446 324 V N 4.740 124.633 119.914 -0.035 0.000 2.789 324 V HA 0.914 5.034 4.120 -0.000 0.000 0.311 324 V C -1.066 175.025 176.094 -0.005 0.000 1.073 324 V CA -0.672 61.622 62.300 -0.009 0.000 0.921 324 V CB 1.860 33.679 31.823 -0.006 0.000 1.009 324 V HN 0.830 nan 8.190 nan 0.000 0.426 325 I N 4.656 125.259 120.570 0.056 0.000 2.689 325 I HA 0.641 4.811 4.170 -0.000 0.000 0.299 325 I C -0.134 176.088 176.117 0.175 0.000 1.059 325 I CA -0.304 61.055 61.300 0.098 0.000 1.055 325 I CB 2.197 40.306 38.000 0.183 0.000 1.243 325 I HN 1.013 nan 8.210 nan 0.000 0.425 326 N N 4.016 122.793 118.700 0.128 0.000 2.701 326 N HA 0.321 5.061 4.740 -0.000 0.000 0.290 326 N C 0.614 176.111 175.510 -0.022 0.000 1.338 326 N CA -0.776 52.368 53.050 0.158 0.000 0.799 326 N CB 1.310 39.843 38.487 0.077 0.000 1.491 326 N HN 0.560 nan 8.380 nan 0.000 0.540 327 K N -0.382 120.018 120.400 0.001 0.000 2.137 327 K HA -0.259 4.061 4.320 -0.000 0.000 0.216 327 K C -0.458 175.852 176.600 -0.484 0.000 1.052 327 K CA 2.929 59.036 56.287 -0.301 0.000 0.939 327 K CB -0.353 32.118 32.500 -0.048 0.000 0.724 327 K HN 0.812 nan 8.250 nan 0.000 0.465 328 D N -1.628 118.638 120.400 -0.224 0.000 2.914 328 D HA 0.144 4.784 4.640 -0.000 0.000 0.349 328 D C -1.071 175.196 176.300 -0.054 0.000 1.540 328 D CA -0.433 53.478 54.000 -0.149 0.000 0.778 328 D CB 0.622 41.370 40.800 -0.086 0.000 1.213 328 D HN -0.023 nan 8.370 nan 0.000 0.451 329 T N -0.200 114.322 114.554 -0.054 0.000 3.295 329 T HA 0.453 4.803 4.350 -0.000 0.000 0.331 329 T C -0.832 173.812 174.700 -0.093 0.000 1.142 329 T CA -0.407 61.672 62.100 -0.036 0.000 1.078 329 T CB 2.025 70.881 68.868 -0.021 0.000 1.150 329 T HN -0.072 nan 8.240 nan 0.000 0.465 330 T N 2.254 116.669 114.554 -0.232 0.000 2.895 330 T HA 0.799 5.149 4.350 -0.000 0.000 0.283 330 T C -0.270 174.108 174.700 -0.536 0.000 1.014 330 T CA -0.620 61.243 62.100 -0.394 0.000 1.037 330 T CB 1.687 70.214 68.868 -0.568 0.000 1.006 330 T HN 0.680 nan 8.240 nan 0.000 0.468 331 T N 2.426 116.772 114.554 -0.348 0.000 3.395 331 T HA 0.538 4.888 4.350 -0.000 0.000 0.330 331 T C -0.942 173.660 174.700 -0.165 0.000 1.076 331 T CA -0.856 61.086 62.100 -0.265 0.000 1.070 331 T CB 0.125 68.896 68.868 -0.162 0.000 1.119 331 T HN 0.631 nan 8.240 nan 0.000 0.462 332 I N 2.753 123.241 120.570 -0.136 0.000 2.607 332 I HA 0.771 4.941 4.170 -0.000 0.000 0.305 332 I C -0.950 175.136 176.117 -0.052 0.000 0.995 332 I CA -1.351 59.905 61.300 -0.072 0.000 1.148 332 I CB 1.763 39.739 38.000 -0.039 0.000 1.323 332 I HN 0.559 nan 8.210 nan 0.000 0.461 333 I N 3.268 123.813 120.570 -0.042 0.000 2.447 333 I HA 0.314 4.484 4.170 -0.000 0.000 0.287 333 I C -1.101 174.996 176.117 -0.033 0.000 1.023 333 I CA -0.374 60.904 61.300 -0.036 0.000 1.083 333 I CB 1.576 39.553 38.000 -0.037 0.000 1.245 333 I HN 0.729 nan 8.210 nan 0.000 0.434 334 D N 5.025 125.409 120.400 -0.027 0.000 4.161 334 D HA -0.108 4.532 4.640 -0.000 0.000 0.246 334 D C -0.069 176.215 176.300 -0.027 0.000 1.064 334 D CA 0.848 54.832 54.000 -0.026 0.000 1.187 334 D CB -0.155 40.627 40.800 -0.030 0.000 0.871 334 D HN 0.823 nan 8.370 nan 0.000 0.413 335 G N 1.409 110.199 108.800 -0.018 0.000 2.390 335 G HA2 0.427 4.387 3.960 -0.000 0.000 0.270 335 G HA3 0.427 4.387 3.960 -0.000 0.000 0.270 335 G C 1.391 176.281 174.900 -0.017 0.000 1.211 335 G CA -0.344 44.747 45.100 -0.014 0.000 0.842 335 G HN 0.394 nan 8.290 nan 0.000 0.519 336 V N 2.663 122.564 119.914 -0.022 0.000 3.444 336 V HA 0.030 4.150 4.120 -0.000 0.000 0.271 336 V C 2.050 178.138 176.094 -0.010 0.000 1.188 336 V CA 0.666 62.953 62.300 -0.021 0.000 1.168 336 V CB -1.122 30.682 31.823 -0.031 0.000 0.810 336 V HN 0.773 nan 8.190 nan 0.000 0.500 337 G N 1.215 110.013 108.800 -0.004 0.000 2.272 337 G HA2 0.073 4.033 3.960 -0.000 0.000 0.247 337 G HA3 0.073 4.033 3.960 -0.000 0.000 0.247 337 G C 0.064 174.963 174.900 -0.001 0.000 1.272 337 G CA -0.276 44.824 45.100 0.001 0.000 0.921 337 G HN 0.321 nan 8.290 nan 0.000 0.495 338 E N 2.298 122.498 120.200 -0.000 0.000 2.558 338 E HA -0.054 4.296 4.350 -0.000 0.000 0.255 338 E C 1.290 177.889 176.600 -0.001 0.000 0.968 338 E CA -0.040 56.360 56.400 -0.001 0.000 0.939 338 E CB 0.737 30.437 29.700 0.000 0.000 0.921 338 E HN 0.561 nan 8.360 nan 0.000 0.477 339 E N 2.718 122.916 120.200 -0.003 0.000 2.097 339 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 339 E C 1.790 178.389 176.600 -0.002 0.000 1.000 339 E CA 1.551 57.949 56.400 -0.003 0.000 0.804 339 E CB -0.259 29.439 29.700 -0.004 0.000 0.740 339 E HN 0.617 nan 8.360 nan 0.000 0.454 340 A N 1.717 124.535 122.820 -0.002 0.000 1.884 340 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 340 A C 2.458 180.041 177.584 -0.001 0.000 1.197 340 A CA 2.888 54.924 52.037 -0.001 0.000 0.637 340 A CB -0.890 18.109 19.000 -0.001 0.000 0.827 340 A HN 0.318 nan 8.150 nan 0.000 0.450 341 A N -0.056 122.764 122.820 -0.000 0.000 1.834 341 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 341 A C 2.133 179.717 177.584 0.000 0.000 1.203 341 A CA 1.642 53.679 52.037 0.001 0.000 0.621 341 A CB -0.881 18.120 19.000 0.002 0.000 0.841 341 A HN 0.526 nan 8.150 nan 0.000 0.446 342 I N -0.370 120.200 120.570 0.001 0.000 2.053 342 I HA -0.384 3.786 4.170 -0.000 0.000 0.236 342 I C 2.798 178.915 176.117 -0.001 0.000 1.038 342 I CA 1.872 63.172 61.300 0.001 0.000 1.304 342 I CB -0.731 37.270 38.000 0.001 0.000 1.023 342 I HN 0.384 nan 8.210 nan 0.000 0.395 343 Q N 0.801 120.600 119.800 -0.001 0.000 2.152 343 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 343 Q C 2.300 178.298 176.000 -0.003 0.000 0.985 343 Q CA 2.002 57.804 55.803 -0.002 0.000 0.863 343 Q CB -1.122 27.615 28.738 -0.003 0.000 0.904 343 Q HN 0.713 nan 8.270 nan 0.000 0.422 344 G N 0.974 109.772 108.800 -0.002 0.000 2.433 344 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.216 344 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.216 344 G C 1.615 176.513 174.900 -0.004 0.000 1.186 344 G CA 1.002 46.100 45.100 -0.003 0.000 0.779 344 G HN 0.303 nan 8.290 nan 0.000 0.543 345 R N 0.290 120.789 120.500 -0.003 0.000 2.119 345 R HA -0.110 4.230 4.340 -0.000 0.000 0.246 345 R C 2.611 178.907 176.300 -0.006 0.000 1.146 345 R CA 1.750 57.847 56.100 -0.004 0.000 0.962 345 R CB -0.951 29.348 30.300 -0.003 0.000 0.863 345 R HN 0.253 nan 8.270 nan 0.000 0.442 346 V N 0.661 120.572 119.914 -0.005 0.000 2.231 346 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 346 V C 2.406 178.495 176.094 -0.008 0.000 1.054 346 V CA 2.179 64.475 62.300 -0.006 0.000 1.015 346 V CB -1.276 30.544 31.823 -0.005 0.000 0.638 346 V HN 0.591 nan 8.190 nan 0.000 0.444 347 A N -0.635 122.181 122.820 -0.006 0.000 1.896 347 A HA -0.383 3.937 4.320 -0.000 0.000 0.220 347 A C 2.149 179.728 177.584 -0.008 0.000 1.206 347 A CA 2.629 54.662 52.037 -0.007 0.000 0.647 347 A CB -0.696 18.301 19.000 -0.005 0.000 0.828 347 A HN 0.698 nan 8.150 nan 0.000 0.455 348 Q N -0.541 119.253 119.800 -0.009 0.000 1.967 348 Q HA -0.217 4.123 4.340 -0.000 0.000 0.210 348 Q C 2.181 178.173 176.000 -0.013 0.000 1.005 348 Q CA 1.938 57.735 55.803 -0.010 0.000 0.862 348 Q CB -0.499 28.233 28.738 -0.010 0.000 0.939 348 Q HN 0.752 nan 8.270 nan 0.000 0.417 349 I N 0.426 120.987 120.570 -0.015 0.000 2.087 349 I HA -0.356 3.814 4.170 -0.000 0.000 0.240 349 I C 2.549 178.655 176.117 -0.018 0.000 1.054 349 I CA 1.162 62.450 61.300 -0.020 0.000 1.311 349 I CB -0.511 37.477 38.000 -0.021 0.000 1.024 349 I HN 0.232 nan 8.210 nan 0.000 0.402 350 R N 0.597 121.088 120.500 -0.015 0.000 2.168 350 R HA -0.312 4.028 4.340 -0.000 0.000 0.242 350 R C 2.143 178.436 176.300 -0.013 0.000 1.123 350 R CA 2.176 58.269 56.100 -0.013 0.000 0.928 350 R CB -1.257 29.038 30.300 -0.010 0.000 0.873 350 R HN 0.561 nan 8.270 nan 0.000 0.434 351 Q N 0.834 120.627 119.800 -0.011 0.000 1.998 351 Q HA -0.258 4.082 4.340 -0.000 0.000 0.209 351 Q C 2.089 178.082 176.000 -0.012 0.000 1.002 351 Q CA 2.268 58.065 55.803 -0.010 0.000 0.858 351 Q CB -0.129 28.603 28.738 -0.009 0.000 0.932 351 Q HN 0.469 nan 8.270 nan 0.000 0.416 352 Q N -0.159 119.632 119.800 -0.015 0.000 2.315 352 Q HA -0.211 4.129 4.340 -0.000 0.000 0.213 352 Q C 1.872 177.860 176.000 -0.020 0.000 0.994 352 Q CA 1.576 57.368 55.803 -0.019 0.000 0.906 352 Q CB -0.357 28.366 28.738 -0.024 0.000 0.918 352 Q HN 0.562 nan 8.270 nan 0.000 0.427 353 I N 1.156 121.715 120.570 -0.019 0.000 3.444 353 I HA -0.167 4.003 4.170 -0.000 0.000 0.287 353 I C 2.271 178.381 176.117 -0.012 0.000 1.302 353 I CA 0.549 61.838 61.300 -0.019 0.000 1.368 353 I CB -0.532 37.457 38.000 -0.018 0.000 1.048 353 I HN 0.322 nan 8.210 nan 0.000 0.487 354 E N 1.404 121.598 120.200 -0.010 0.000 2.106 354 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 354 E C 1.551 178.148 176.600 -0.005 0.000 0.984 354 E CA 1.117 57.513 56.400 -0.007 0.000 0.806 354 E CB -0.198 29.498 29.700 -0.007 0.000 0.750 354 E HN 0.372 nan 8.360 nan 0.000 0.458 355 E N 1.466 121.661 120.200 -0.007 0.000 2.086 355 E HA -0.148 4.202 4.350 -0.000 0.000 0.200 355 E C 1.426 178.026 176.600 -0.001 0.000 1.012 355 E CA 1.730 58.127 56.400 -0.005 0.000 0.812 355 E CB -0.571 29.124 29.700 -0.007 0.000 0.743 355 E HN 0.495 nan 8.360 nan 0.000 0.453 356 A N -0.228 122.590 122.820 -0.003 0.000 2.723 356 A HA -0.313 4.007 4.320 -0.000 0.000 0.305 356 A C 1.349 178.939 177.584 0.010 0.000 1.513 356 A CA 1.465 53.503 52.037 0.002 0.000 0.925 356 A CB -2.396 16.605 19.000 0.002 0.000 0.956 356 A HN 0.269 nan 8.150 nan 0.000 0.508 357 T N -0.421 114.139 114.554 0.010 0.000 3.320 357 T HA 0.320 4.670 4.350 -0.000 0.000 0.258 357 T C 0.485 175.202 174.700 0.028 0.000 1.176 357 T CA 1.362 63.472 62.100 0.016 0.000 1.037 357 T CB -0.507 68.369 68.868 0.013 0.000 0.958 357 T HN 1.556 nan 8.240 nan 0.000 0.545 358 S N -0.216 115.505 115.700 0.035 0.000 2.678 358 S HA 0.143 4.613 4.470 -0.000 0.000 0.290 358 S C -1.309 173.330 174.600 0.066 0.000 1.047 358 S CA -0.796 57.440 58.200 0.059 0.000 0.851 358 S CB 0.682 63.939 63.200 0.095 0.000 1.058 358 S HN 0.064 nan 8.310 nan 0.000 0.451 359 D N 1.559 122.006 120.400 0.079 0.000 2.352 359 D HA 0.155 4.795 4.640 -0.000 0.000 0.232 359 D C 0.681 177.059 176.300 0.130 0.000 1.055 359 D CA 0.509 54.554 54.000 0.076 0.000 0.891 359 D CB 0.042 40.879 40.800 0.061 0.000 0.897 359 D HN 0.498 nan 8.370 nan 0.000 0.529 360 Y N 0.434 120.731 120.300 -0.005 0.000 2.559 360 Y HA 0.103 4.653 4.550 -0.000 0.000 0.279 360 Y C 0.997 176.888 175.900 -0.015 0.000 1.117 360 Y CA 0.645 58.740 58.100 -0.007 0.000 1.263 360 Y CB 0.372 38.828 38.460 -0.007 0.000 1.230 360 Y HN -0.205 nan 8.280 nan 0.000 0.528 361 D N -0.179 120.223 120.400 0.004 0.000 2.162 361 D HA -0.036 4.604 4.640 -0.000 0.000 0.203 361 D C 2.056 178.305 176.300 -0.084 0.000 0.967 361 D CA 1.012 54.957 54.000 -0.090 0.000 0.840 361 D CB -0.129 40.666 40.800 -0.008 0.000 0.972 361 D HN 0.183 nan 8.370 nan 0.000 0.482 362 R N 0.629 121.110 120.500 -0.033 0.000 2.090 362 R HA -0.068 4.272 4.340 -0.000 0.000 0.228 362 R C 2.006 178.281 176.300 -0.041 0.000 1.110 362 R CA 0.953 57.036 56.100 -0.027 0.000 0.973 362 R CB 0.092 30.390 30.300 -0.003 0.000 0.869 362 R HN 0.183 nan 8.270 nan 0.000 0.440 363 E N 0.323 120.498 120.200 -0.042 0.000 2.072 363 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 363 E C 1.548 178.088 176.600 -0.100 0.000 0.985 363 E CA 1.197 57.570 56.400 -0.045 0.000 0.801 363 E CB 0.196 29.893 29.700 -0.005 0.000 0.750 363 E HN 0.005 nan 8.360 nan 0.000 0.452 364 K N 0.724 121.007 120.400 -0.195 0.000 1.965 364 K HA -0.086 4.234 4.320 -0.000 0.000 0.214 364 K C 2.158 178.676 176.600 -0.138 0.000 1.046 364 K CA 1.353 57.500 56.287 -0.233 0.000 0.944 364 K CB -0.722 31.548 32.500 -0.383 0.000 0.726 364 K HN 0.115 nan 8.250 nan 0.000 0.441 365 L N 0.706 121.857 121.223 -0.120 0.000 2.054 365 L HA -0.358 3.982 4.340 -0.000 0.000 0.220 365 L C 2.613 179.449 176.870 -0.057 0.000 1.081 365 L CA 1.688 56.481 54.840 -0.078 0.000 0.780 365 L CB -0.650 41.373 42.059 -0.061 0.000 0.893 365 L HN 0.338 nan 8.230 nan 0.000 0.438 366 Q N 0.541 120.310 119.800 -0.052 0.000 1.956 366 Q HA -0.252 4.088 4.340 -0.000 0.000 0.208 366 Q C 1.960 177.942 176.000 -0.030 0.000 0.998 366 Q CA 2.192 57.974 55.803 -0.034 0.000 0.855 366 Q CB -0.243 28.478 28.738 -0.027 0.000 0.928 366 Q HN 0.452 nan 8.270 nan 0.000 0.418 367 E N -0.285 119.894 120.200 -0.036 0.000 2.086 367 E HA -0.310 4.040 4.350 -0.000 0.000 0.205 367 E C 2.147 178.736 176.600 -0.018 0.000 1.027 367 E CA 1.705 58.090 56.400 -0.024 0.000 0.830 367 E CB -0.279 29.401 29.700 -0.032 0.000 0.751 367 E HN 0.288 nan 8.360 nan 0.000 0.456 368 R N 0.382 120.864 120.500 -0.031 0.000 2.094 368 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 368 R C 2.533 178.826 176.300 -0.012 0.000 1.137 368 R CA 1.731 57.819 56.100 -0.022 0.000 0.943 368 R CB -0.812 29.466 30.300 -0.037 0.000 0.850 368 R HN 0.078 nan 8.270 nan 0.000 0.433 369 V N 1.297 121.201 119.914 -0.017 0.000 2.317 369 V HA -0.349 3.771 4.120 -0.000 0.000 0.251 369 V C 2.482 178.573 176.094 -0.005 0.000 1.065 369 V CA 2.085 64.379 62.300 -0.011 0.000 1.049 369 V CB -0.990 30.824 31.823 -0.014 0.000 0.651 369 V HN 0.497 nan 8.190 nan 0.000 0.450 370 A N -0.188 122.630 122.820 -0.004 0.000 1.834 370 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 370 A C 2.276 179.864 177.584 0.007 0.000 1.203 370 A CA 1.999 54.036 52.037 0.001 0.000 0.621 370 A CB -0.637 18.364 19.000 0.001 0.000 0.841 370 A HN 0.407 nan 8.150 nan 0.000 0.446 371 K N -0.759 119.650 120.400 0.014 0.000 2.049 371 K HA -0.243 4.077 4.320 -0.000 0.000 0.219 371 K C 1.920 178.533 176.600 0.022 0.000 1.056 371 K CA 1.860 58.163 56.287 0.027 0.000 0.946 371 K CB -1.192 31.337 32.500 0.048 0.000 0.723 371 K HN 0.425 nan 8.250 nan 0.000 0.453 372 L N 0.327 121.561 121.223 0.018 0.000 1.961 372 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 372 L C 2.318 179.192 176.870 0.007 0.000 1.075 372 L CA 2.359 57.208 54.840 0.014 0.000 0.749 372 L CB -0.988 41.078 42.059 0.010 0.000 0.890 372 L HN 0.226 nan 8.230 nan 0.000 0.433 373 A N -0.881 121.940 122.820 0.003 0.000 1.854 373 A HA 0.035 4.355 4.320 -0.000 0.000 0.214 373 A C 2.343 179.926 177.584 -0.001 0.000 1.192 373 A CA 1.292 53.329 52.037 -0.000 0.000 0.611 373 A CB -1.693 17.306 19.000 -0.002 0.000 0.832 373 A HN 0.573 nan 8.150 nan 0.000 0.442 374 G N -0.341 108.454 108.800 -0.008 0.000 3.197 374 G HA2 0.046 4.006 3.960 -0.000 0.000 0.232 374 G HA3 0.046 4.006 3.960 -0.000 0.000 0.232 374 G C 1.491 176.390 174.900 -0.001 0.000 1.074 374 G CA 1.720 46.817 45.100 -0.005 0.000 0.721 374 G HN 2.052 nan 8.290 nan 0.000 0.685 375 G N -2.630 106.172 108.800 0.004 0.000 2.846 375 G HA2 0.131 4.091 3.960 -0.000 0.000 0.660 375 G HA3 0.131 4.091 3.960 -0.000 0.000 0.660 375 G C -0.627 174.276 174.900 0.006 0.000 1.464 375 G CA -0.314 44.789 45.100 0.005 0.000 0.891 375 G HN 1.229 nan 8.290 nan 0.000 0.552 376 V N 0.980 120.896 119.914 0.003 0.000 2.443 376 V HA 0.718 4.838 4.120 -0.000 0.000 0.293 376 V C 0.833 176.923 176.094 -0.007 0.000 1.021 376 V CA -0.089 62.211 62.300 -0.001 0.000 0.848 376 V CB 1.171 32.994 31.823 -0.001 0.000 0.998 376 V HN 2.015 nan 8.190 nan 0.000 0.424 377 A N 4.940 127.754 122.820 -0.009 0.000 2.363 377 A HA 0.779 5.099 4.320 -0.000 0.000 0.270 377 A C -0.043 177.532 177.584 -0.016 0.000 1.121 377 A CA -0.230 51.800 52.037 -0.011 0.000 0.800 377 A CB 0.920 19.913 19.000 -0.011 0.000 1.052 377 A HN 1.435 nan 8.150 nan 0.000 0.493 378 V N 0.651 120.556 119.914 -0.016 0.000 3.046 378 V HA 0.876 4.996 4.120 -0.000 0.000 0.316 378 V C -0.443 175.640 176.094 -0.018 0.000 1.104 378 V CA -0.917 61.371 62.300 -0.019 0.000 1.006 378 V CB 1.587 33.400 31.823 -0.018 0.000 1.058 378 V HN 0.726 nan 8.190 nan 0.000 0.440 379 I N 1.318 121.876 120.570 -0.020 0.000 2.769 379 I HA 0.552 4.722 4.170 -0.000 0.000 0.298 379 I C -0.632 175.475 176.117 -0.017 0.000 1.128 379 I CA -0.786 60.504 61.300 -0.018 0.000 1.031 379 I CB 2.687 40.675 38.000 -0.019 0.000 1.235 379 I HN 0.648 nan 8.210 nan 0.000 0.423 380 K N 4.847 125.238 120.400 -0.014 0.000 2.527 380 K HA 0.391 4.711 4.320 -0.000 0.000 0.240 380 K C -1.033 175.560 176.600 -0.012 0.000 0.989 380 K CA -0.634 55.645 56.287 -0.013 0.000 0.985 380 K CB 2.000 34.493 32.500 -0.012 0.000 1.221 380 K HN 0.281 nan 8.250 nan 0.000 0.458 381 V N 2.733 122.640 119.914 -0.012 0.000 2.452 381 V HA -0.024 4.096 4.120 -0.000 0.000 0.286 381 V C 1.043 177.132 176.094 -0.008 0.000 0.995 381 V CA 0.098 62.392 62.300 -0.010 0.000 1.116 381 V CB -0.020 31.798 31.823 -0.009 0.000 0.954 381 V HN 0.818 nan 8.190 nan 0.000 0.473 382 G N 3.806 112.601 108.800 -0.008 0.000 2.444 382 G HA2 0.680 4.640 3.960 -0.000 0.000 0.268 382 G HA3 0.680 4.640 3.960 -0.000 0.000 0.268 382 G C -0.260 174.636 174.900 -0.006 0.000 1.203 382 G CA 0.301 45.397 45.100 -0.007 0.000 0.835 382 G HN 1.299 nan 8.290 nan 0.000 0.543 383 A N 0.210 123.027 122.820 -0.006 0.000 2.597 383 A HA 0.764 5.084 4.320 -0.000 0.000 0.292 383 A C 0.643 178.224 177.584 -0.005 0.000 1.057 383 A CA 0.332 52.366 52.037 -0.005 0.000 0.674 383 A CB 0.617 19.614 19.000 -0.005 0.000 1.278 383 A HN 1.746 nan 8.150 nan 0.000 0.416 384 A N 0.267 123.084 122.820 -0.004 0.000 1.840 384 A HA 0.353 4.673 4.320 -0.000 0.000 0.214 384 A C 1.472 179.054 177.584 -0.004 0.000 1.198 384 A CA 2.365 54.400 52.037 -0.004 0.000 0.608 384 A CB -0.747 18.251 19.000 -0.004 0.000 0.839 384 A HN 1.668 nan 8.150 nan 0.000 0.443 385 T N -1.800 112.751 114.554 -0.004 0.000 2.934 385 T HA 0.312 4.662 4.350 -0.000 0.000 0.283 385 T C 0.850 175.547 174.700 -0.005 0.000 1.005 385 T CA 0.058 62.155 62.100 -0.004 0.000 1.041 385 T CB 1.431 70.296 68.868 -0.004 0.000 1.042 385 T HN 0.446 nan 8.240 nan 0.000 0.505 386 E N 1.839 122.036 120.200 -0.005 0.000 2.204 386 E HA -0.084 4.266 4.350 -0.000 0.000 0.195 386 E C 1.713 178.309 176.600 -0.005 0.000 0.990 386 E CA 0.977 57.373 56.400 -0.006 0.000 0.821 386 E CB 0.049 29.745 29.700 -0.007 0.000 0.750 386 E HN 0.552 nan 8.360 nan 0.000 0.477 387 V N 1.283 121.194 119.914 -0.005 0.000 2.221 387 V HA -0.273 3.847 4.120 -0.000 0.000 0.240 387 V C 2.450 178.542 176.094 -0.004 0.000 1.041 387 V CA 2.235 64.533 62.300 -0.004 0.000 0.991 387 V CB -0.878 30.943 31.823 -0.004 0.000 0.634 387 V HN 0.409 nan 8.190 nan 0.000 0.450 388 E N -0.242 119.956 120.200 -0.003 0.000 2.108 388 E HA -0.346 4.004 4.350 -0.000 0.000 0.203 388 E C 2.203 178.801 176.600 -0.004 0.000 1.022 388 E CA 2.293 58.691 56.400 -0.003 0.000 0.823 388 E CB -0.253 29.445 29.700 -0.003 0.000 0.744 388 E HN 0.402 nan 8.360 nan 0.000 0.456 389 M N 1.264 120.861 119.600 -0.004 0.000 2.800 389 M HA -0.266 4.214 4.480 -0.000 0.000 0.271 389 M C 1.968 178.265 176.300 -0.005 0.000 1.059 389 M CA 2.210 57.507 55.300 -0.005 0.000 1.071 389 M CB -0.761 31.836 32.600 -0.006 0.000 1.227 389 M HN 0.043 nan 8.290 nan 0.000 0.505 390 K N -0.374 120.023 120.400 -0.005 0.000 2.281 390 K HA -0.189 4.131 4.320 -0.000 0.000 0.203 390 K C 1.968 178.566 176.600 -0.002 0.000 1.046 390 K CA 1.258 57.542 56.287 -0.005 0.000 0.938 390 K CB -0.243 32.254 32.500 -0.005 0.000 0.737 390 K HN 0.434 nan 8.250 nan 0.000 0.458 391 E N 2.048 122.247 120.200 -0.002 0.000 2.006 391 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 391 E C 1.899 178.499 176.600 0.000 0.000 0.993 391 E CA 1.416 57.816 56.400 -0.000 0.000 0.808 391 E CB -0.024 29.676 29.700 -0.001 0.000 0.764 391 E HN 0.143 nan 8.360 nan 0.000 0.449 392 K N 1.017 121.416 120.400 -0.001 0.000 2.059 392 K HA -0.248 4.072 4.320 -0.000 0.000 0.212 392 K C 2.356 178.955 176.600 -0.001 0.000 1.050 392 K CA 2.271 58.557 56.287 -0.001 0.000 0.927 392 K CB -0.272 32.227 32.500 -0.003 0.000 0.714 392 K HN -0.007 nan 8.250 nan 0.000 0.447 393 K N 0.010 120.409 120.400 -0.003 0.000 2.127 393 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 393 K C 1.829 178.429 176.600 0.000 0.000 1.047 393 K CA 1.463 57.748 56.287 -0.004 0.000 0.927 393 K CB -0.220 32.277 32.500 -0.006 0.000 0.716 393 K HN 0.305 nan 8.250 nan 0.000 0.450 394 A N 1.460 124.283 122.820 0.004 0.000 1.832 394 A HA -0.163 4.157 4.320 -0.000 0.000 0.214 394 A C 2.072 179.667 177.584 0.018 0.000 1.200 394 A CA 1.686 53.731 52.037 0.012 0.000 0.610 394 A CB -0.640 18.367 19.000 0.012 0.000 0.842 394 A HN 0.383 nan 8.150 nan 0.000 0.444 395 R N -0.528 119.980 120.500 0.014 0.000 2.153 395 R HA -0.167 4.173 4.340 -0.000 0.000 0.252 395 R C 1.952 178.263 176.300 0.018 0.000 1.158 395 R CA 1.601 57.711 56.100 0.016 0.000 0.975 395 R CB -0.886 29.419 30.300 0.009 0.000 0.871 395 R HN 0.425 nan 8.270 nan 0.000 0.450 396 V N 1.186 121.105 119.914 0.008 0.000 2.214 396 V HA -0.302 3.818 4.120 -0.000 0.000 0.245 396 V C 2.021 178.113 176.094 -0.003 0.000 1.047 396 V CA 2.221 64.521 62.300 0.000 0.000 0.998 396 V CB -0.615 31.203 31.823 -0.008 0.000 0.633 396 V HN 0.387 nan 8.190 nan 0.000 0.446 397 E N 0.101 120.296 120.200 -0.008 0.000 2.114 397 E HA -0.287 4.063 4.350 -0.000 0.000 0.199 397 E C 1.917 178.533 176.600 0.026 0.000 1.008 397 E CA 1.675 58.056 56.400 -0.032 0.000 0.810 397 E CB -0.340 29.352 29.700 -0.012 0.000 0.739 397 E HN 0.639 nan 8.360 nan 0.000 0.456 398 D N 0.581 121.036 120.400 0.092 0.000 2.108 398 D HA -0.211 4.429 4.640 -0.000 0.000 0.190 398 D C 1.972 178.348 176.300 0.127 0.000 0.995 398 D CA 1.659 55.749 54.000 0.150 0.000 0.834 398 D CB -0.684 40.162 40.800 0.078 0.000 0.967 398 D HN 0.207 nan 8.370 nan 0.000 0.446 399 A N 1.216 124.073 122.820 0.061 0.000 1.869 399 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 399 A C 2.358 179.966 177.584 0.040 0.000 1.203 399 A CA 2.053 54.115 52.037 0.042 0.000 0.638 399 A CB -1.272 17.739 19.000 0.019 0.000 0.831 399 A HN 0.349 nan 8.150 nan 0.000 0.450 400 L N -1.393 119.832 121.223 0.003 0.000 2.030 400 L HA -0.349 3.991 4.340 -0.000 0.000 0.222 400 L C 2.607 179.472 176.870 -0.008 0.000 1.082 400 L CA 2.538 57.357 54.840 -0.034 0.000 0.785 400 L CB -0.603 41.396 42.059 -0.099 0.000 0.895 400 L HN 0.584 nan 8.230 nan 0.000 0.439 401 H N -0.135 118.938 119.070 0.005 0.000 2.371 401 H HA -0.269 4.287 4.556 -0.000 0.000 0.292 401 H C 2.194 177.527 175.328 0.008 0.000 1.066 401 H CA 1.931 57.983 56.048 0.007 0.000 1.153 401 H CB -0.867 28.900 29.762 0.008 0.000 1.375 401 H HN 0.597 nan 8.280 nan 0.000 0.558 402 A N 0.398 123.322 122.820 0.174 0.000 1.923 402 A HA -0.319 4.001 4.320 -0.000 0.000 0.222 402 A C 2.705 180.326 177.584 0.061 0.000 1.258 402 A CA 3.392 55.480 52.037 0.084 0.000 0.670 402 A CB -1.422 17.612 19.000 0.058 0.000 0.834 402 A HN 0.614 nan 8.150 nan 0.000 0.470 403 T N -0.479 114.106 114.554 0.051 0.000 2.597 403 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 403 T C 1.994 176.713 174.700 0.032 0.000 1.053 403 T CA 1.771 63.890 62.100 0.031 0.000 1.165 403 T CB -0.347 68.533 68.868 0.019 0.000 0.863 403 T HN 0.576 nan 8.240 nan 0.000 0.427 404 R N 0.918 121.440 120.500 0.036 0.000 2.112 404 R HA -0.135 4.205 4.340 -0.000 0.000 0.242 404 R C 2.855 179.180 176.300 0.040 0.000 1.137 404 R CA 1.547 57.668 56.100 0.035 0.000 0.944 404 R CB -0.710 29.614 30.300 0.041 0.000 0.857 404 R HN 0.432 nan 8.270 nan 0.000 0.435 405 A N 1.251 124.103 122.820 0.053 0.000 1.851 405 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 405 A C 2.439 180.040 177.584 0.028 0.000 1.195 405 A CA 1.920 53.982 52.037 0.042 0.000 0.622 405 A CB -0.970 18.056 19.000 0.044 0.000 0.831 405 A HN 0.442 nan 8.150 nan 0.000 0.444 406 A N -0.609 122.228 122.820 0.027 0.000 1.903 406 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 406 A C 2.272 179.866 177.584 0.018 0.000 1.191 406 A CA 2.275 54.324 52.037 0.020 0.000 0.638 406 A CB -1.215 17.796 19.000 0.020 0.000 0.823 406 A HN 0.484 nan 8.150 nan 0.000 0.451 407 V N 0.075 120.000 119.914 0.019 0.000 2.220 407 V HA -0.328 3.792 4.120 -0.000 0.000 0.246 407 V C 2.395 178.499 176.094 0.017 0.000 1.049 407 V CA 2.405 64.715 62.300 0.017 0.000 1.003 407 V CB -1.143 30.691 31.823 0.018 0.000 0.634 407 V HN 0.685 nan 8.190 nan 0.000 0.444 408 E N 0.097 120.309 120.200 0.020 0.000 2.108 408 E HA -0.274 4.076 4.350 -0.000 0.000 0.203 408 E C 1.493 178.101 176.600 0.014 0.000 1.022 408 E CA 1.924 58.335 56.400 0.018 0.000 0.823 408 E CB -0.144 29.569 29.700 0.021 0.000 0.744 408 E HN 0.736 nan 8.360 nan 0.000 0.456 409 E N -0.803 119.405 120.200 0.012 0.000 2.789 409 E HA 0.270 4.620 4.350 -0.000 0.000 0.217 409 E C 0.306 176.911 176.600 0.009 0.000 0.970 409 E CA 0.113 56.518 56.400 0.008 0.000 1.201 409 E CB 1.478 31.180 29.700 0.004 0.000 1.069 409 E HN 0.243 nan 8.360 nan 0.000 0.499 410 G N 1.340 110.147 108.800 0.011 0.000 2.693 410 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.226 410 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.226 410 G C -0.142 174.764 174.900 0.011 0.000 1.354 410 G CA -0.347 44.759 45.100 0.011 0.000 0.873 410 G HN 0.576 nan 8.290 nan 0.000 0.562 411 V N -2.938 116.982 119.914 0.011 0.000 3.156 411 V HA 1.028 5.148 4.120 -0.000 0.000 0.310 411 V C 0.532 176.632 176.094 0.011 0.000 1.234 411 V CA 0.622 62.928 62.300 0.010 0.000 1.065 411 V CB 1.383 33.212 31.823 0.010 0.000 1.088 411 V HN 2.655 nan 8.190 nan 0.000 0.451 412 V N -2.726 117.194 119.914 0.010 0.000 3.203 412 V HA 0.988 5.108 4.120 -0.000 0.000 0.305 412 V C 0.251 176.351 176.094 0.009 0.000 1.361 412 V CA -0.793 61.514 62.300 0.012 0.000 1.066 412 V CB 0.945 32.775 31.823 0.011 0.000 1.085 412 V HN 2.465 nan 8.190 nan 0.000 0.456 413 A N 0.141 122.969 122.820 0.012 0.000 2.548 413 A HA 0.548 4.868 4.320 -0.000 0.000 0.247 413 A C 1.232 178.814 177.584 -0.003 0.000 1.067 413 A CA 0.563 52.603 52.037 0.006 0.000 0.757 413 A CB -0.146 18.861 19.000 0.011 0.000 0.996 413 A HN 2.172 nan 8.150 nan 0.000 0.504 414 G N 1.677 110.469 108.800 -0.012 0.000 3.126 414 G HA2 0.302 4.262 3.960 -0.000 0.000 0.224 414 G HA3 0.302 4.262 3.960 -0.000 0.000 0.224 414 G C 0.858 175.743 174.900 -0.025 0.000 1.142 414 G CA 0.688 45.778 45.100 -0.016 0.000 0.759 414 G HN 1.115 nan 8.290 nan 0.000 0.550 415 G N -0.098 108.682 108.800 -0.035 0.000 3.279 415 G HA2 0.395 4.355 3.960 -0.000 0.000 0.230 415 G HA3 0.395 4.355 3.960 -0.000 0.000 0.230 415 G C 1.221 176.110 174.900 -0.018 0.000 1.230 415 G CA 0.298 45.373 45.100 -0.042 0.000 0.891 415 G HN 1.196 nan 8.290 nan 0.000 0.518 416 G N -1.167 107.628 108.800 -0.009 0.000 2.175 416 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.244 416 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.244 416 G C 1.274 176.177 174.900 0.005 0.000 0.982 416 G CA 0.488 45.589 45.100 0.001 0.000 0.641 416 G HN 0.550 nan 8.290 nan 0.000 0.527 417 V N 1.196 121.110 119.914 0.000 0.000 2.220 417 V HA -0.041 4.079 4.120 -0.000 0.000 0.246 417 V C 3.346 179.448 176.094 0.013 0.000 1.049 417 V CA 3.211 65.513 62.300 0.004 0.000 1.003 417 V CB -1.662 30.157 31.823 -0.006 0.000 0.634 417 V HN 1.321 nan 8.190 nan 0.000 0.444 418 A N 0.394 123.220 122.820 0.011 0.000 1.923 418 A HA -0.283 4.037 4.320 -0.000 0.000 0.222 418 A C 2.223 179.816 177.584 0.016 0.000 1.258 418 A CA 2.656 54.702 52.037 0.015 0.000 0.670 418 A CB -0.873 18.133 19.000 0.010 0.000 0.834 418 A HN 0.437 nan 8.150 nan 0.000 0.470 419 L N -0.749 120.481 121.223 0.013 0.000 1.989 419 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 419 L C 2.658 179.538 176.870 0.017 0.000 1.071 419 L CA 1.643 56.491 54.840 0.013 0.000 0.749 419 L CB -1.326 40.740 42.059 0.012 0.000 0.890 419 L HN 0.367 nan 8.230 nan 0.000 0.431 420 I N -0.212 120.370 120.570 0.019 0.000 2.185 420 I HA -0.325 3.845 4.170 -0.000 0.000 0.246 420 I C 2.735 178.868 176.117 0.027 0.000 1.088 420 I CA 1.266 62.580 61.300 0.023 0.000 1.347 420 I CB -0.983 37.033 38.000 0.027 0.000 1.041 420 I HN 0.299 nan 8.210 nan 0.000 0.415 421 R N 1.450 121.968 120.500 0.030 0.000 2.126 421 R HA -0.179 4.161 4.340 -0.000 0.000 0.224 421 R C 2.424 178.741 176.300 0.028 0.000 1.128 421 R CA 2.772 58.893 56.100 0.035 0.000 0.895 421 R CB -1.050 29.272 30.300 0.037 0.000 0.817 421 R HN 0.291 nan 8.270 nan 0.000 0.435 422 V N -0.892 119.035 119.914 0.023 0.000 2.313 422 V HA -0.286 3.834 4.120 -0.000 0.000 0.253 422 V C 2.164 178.267 176.094 0.016 0.000 1.070 422 V CA 2.254 64.564 62.300 0.018 0.000 1.057 422 V CB -1.644 30.186 31.823 0.013 0.000 0.653 422 V HN 0.490 nan 8.190 nan 0.000 0.450 423 A N 1.702 124.532 122.820 0.017 0.000 1.858 423 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 423 A C 2.656 180.249 177.584 0.016 0.000 1.190 423 A CA 3.210 55.256 52.037 0.015 0.000 0.617 423 A CB -1.343 17.666 19.000 0.015 0.000 0.827 423 A HN 1.116 nan 8.150 nan 0.000 0.443 424 S N -0.088 115.624 115.700 0.020 0.000 2.402 424 S HA -0.229 4.241 4.470 -0.000 0.000 0.233 424 S C 1.848 176.460 174.600 0.019 0.000 1.030 424 S CA 1.448 59.661 58.200 0.021 0.000 1.003 424 S CB -0.344 62.873 63.200 0.028 0.000 0.813 424 S HN 0.460 nan 8.310 nan 0.000 0.477 425 K N 2.368 122.780 120.400 0.019 0.000 1.983 425 K HA -0.011 4.309 4.320 -0.000 0.000 0.225 425 K C 1.551 178.159 176.600 0.013 0.000 1.030 425 K CA 1.234 57.531 56.287 0.017 0.000 1.027 425 K CB -1.373 31.137 32.500 0.016 0.000 0.757 425 K HN 0.674 nan 8.250 nan 0.000 0.444 426 L N 0.272 121.502 121.223 0.011 0.000 2.530 426 L HA 0.201 4.541 4.340 -0.000 0.000 0.247 426 L C 0.967 177.842 176.870 0.009 0.000 1.416 426 L CA -0.122 54.723 54.840 0.009 0.000 1.202 426 L CB -0.571 41.492 42.059 0.007 0.000 1.415 426 L HN 0.065 nan 8.230 nan 0.000 0.443 427 A N -0.167 122.659 122.820 0.009 0.000 2.308 427 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 427 A C 1.545 179.133 177.584 0.007 0.000 1.216 427 A CA 0.140 52.182 52.037 0.009 0.000 0.864 427 A CB -0.014 18.992 19.000 0.010 0.000 0.902 427 A HN 0.643 nan 8.150 nan 0.000 0.499 428 D N -0.892 119.511 120.400 0.006 0.000 2.431 428 D HA 0.048 4.688 4.640 -0.000 0.000 0.235 428 D C 0.516 176.819 176.300 0.005 0.000 0.980 428 D CA -0.093 53.910 54.000 0.005 0.000 0.912 428 D CB -0.205 40.598 40.800 0.005 0.000 1.056 428 D HN 0.273 nan 8.370 nan 0.000 0.494 429 L N 3.018 124.243 121.223 0.005 0.000 4.017 429 L HA -0.224 4.116 4.340 -0.000 0.000 0.482 429 L C 0.072 176.945 176.870 0.004 0.000 1.045 429 L CA 0.819 55.661 54.840 0.004 0.000 0.650 429 L CB -0.113 41.948 42.059 0.005 0.000 0.973 429 L HN -0.058 nan 8.230 nan 0.000 0.913 430 R N 3.687 124.189 120.500 0.003 0.000 2.923 430 R HA 0.872 5.212 4.340 -0.000 0.000 0.252 430 R C 0.050 176.351 176.300 0.003 0.000 1.130 430 R CA -0.317 55.785 56.100 0.003 0.000 1.043 430 R CB 1.403 31.705 30.300 0.003 0.000 1.205 430 R HN 0.776 nan 8.270 nan 0.000 0.495 431 G N -0.136 108.665 108.800 0.003 0.000 2.605 431 G HA2 0.373 4.333 3.960 -0.000 0.000 0.296 431 G HA3 0.373 4.333 3.960 -0.000 0.000 0.296 431 G C -0.208 174.693 174.900 0.002 0.000 1.304 431 G CA -0.391 44.711 45.100 0.003 0.000 0.941 431 G HN 0.261 nan 8.290 nan 0.000 0.475 432 Q N 0.295 120.096 119.800 0.002 0.000 1.856 432 Q HA -0.075 4.265 4.340 -0.000 0.000 0.233 432 Q C 1.432 177.433 176.000 0.002 0.000 0.995 432 Q CA 1.050 56.854 55.803 0.002 0.000 0.877 432 Q CB -0.513 28.227 28.738 0.002 0.000 0.937 432 Q HN 0.697 nan 8.270 nan 0.000 0.423 433 N N 0.886 119.587 118.700 0.002 0.000 2.458 433 N HA -0.117 4.623 4.740 -0.000 0.000 0.258 433 N C 0.722 176.233 175.510 0.002 0.000 1.219 433 N CA -0.007 53.045 53.050 0.002 0.000 0.902 433 N CB 0.471 38.959 38.487 0.002 0.000 1.076 433 N HN 0.336 nan 8.380 nan 0.000 0.455 434 E N 2.407 122.608 120.200 0.002 0.000 2.160 434 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 434 E C 0.314 176.915 176.600 0.002 0.000 0.991 434 E CA 1.307 57.709 56.400 0.002 0.000 0.810 434 E CB 0.121 29.822 29.700 0.002 0.000 0.742 434 E HN 0.638 nan 8.360 nan 0.000 0.466 435 D N 0.246 120.648 120.400 0.002 0.000 2.351 435 D HA -0.143 4.497 4.640 -0.000 0.000 0.216 435 D C 1.535 177.837 176.300 0.003 0.000 0.968 435 D CA 0.818 54.819 54.000 0.003 0.000 0.899 435 D CB 0.060 40.862 40.800 0.003 0.000 0.907 435 D HN 0.478 nan 8.370 nan 0.000 0.514 436 Q N -0.309 119.493 119.800 0.003 0.000 2.297 436 Q HA 0.036 4.376 4.340 -0.000 0.000 0.203 436 Q C 1.740 177.742 176.000 0.004 0.000 0.931 436 Q CA 0.112 55.917 55.803 0.003 0.000 0.885 436 Q CB 0.207 28.947 28.738 0.003 0.000 0.991 436 Q HN 0.187 nan 8.270 nan 0.000 0.498 437 N N 0.853 119.555 118.700 0.003 0.000 2.058 437 N HA -0.140 4.600 4.740 -0.000 0.000 0.191 437 N C 2.069 177.581 175.510 0.004 0.000 1.037 437 N CA 1.474 54.527 53.050 0.003 0.000 0.848 437 N CB -0.434 38.055 38.487 0.003 0.000 1.021 437 N HN 0.032 nan 8.380 nan 0.000 0.422 438 V N 1.390 121.307 119.914 0.004 0.000 2.250 438 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 438 V C 2.605 178.701 176.094 0.004 0.000 1.060 438 V CA 2.201 64.504 62.300 0.004 0.000 1.030 438 V CB -1.588 30.237 31.823 0.003 0.000 0.643 438 V HN 0.369 nan 8.190 nan 0.000 0.445 439 G N 0.180 108.983 108.800 0.004 0.000 2.505 439 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.220 439 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.220 439 G C 1.523 176.427 174.900 0.006 0.000 1.145 439 G CA 1.555 46.658 45.100 0.005 0.000 0.761 439 G HN 0.553 nan 8.290 nan 0.000 0.571 440 I N -0.012 120.561 120.570 0.005 0.000 2.252 440 I HA -0.083 4.087 4.170 -0.000 0.000 0.245 440 I C 2.762 178.883 176.117 0.006 0.000 1.102 440 I CA 1.141 62.444 61.300 0.005 0.000 1.385 440 I CB -0.240 37.763 38.000 0.005 0.000 1.064 440 I HN 0.016 nan 8.210 nan 0.000 0.414 441 K N 1.141 121.545 120.400 0.006 0.000 1.977 441 K HA -0.160 4.160 4.320 -0.000 0.000 0.218 441 K C 1.984 178.588 176.600 0.007 0.000 1.051 441 K CA 1.614 57.905 56.287 0.006 0.000 0.953 441 K CB -0.971 31.533 32.500 0.005 0.000 0.727 441 K HN 0.028 nan 8.250 nan 0.000 0.445 442 V N 1.181 121.099 119.914 0.006 0.000 2.233 442 V HA -0.412 3.708 4.120 -0.000 0.000 0.256 442 V C 2.217 178.316 176.094 0.008 0.000 1.069 442 V CA 2.414 64.718 62.300 0.007 0.000 1.054 442 V CB -1.192 30.635 31.823 0.007 0.000 0.664 442 V HN 0.535 nan 8.190 nan 0.000 0.453 443 A N -0.413 122.412 122.820 0.008 0.000 1.881 443 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 443 A C 2.197 179.786 177.584 0.009 0.000 1.215 443 A CA 2.696 54.739 52.037 0.009 0.000 0.648 443 A CB -0.762 18.243 19.000 0.008 0.000 0.832 443 A HN 0.524 nan 8.150 nan 0.000 0.455 444 L N -1.442 119.786 121.223 0.009 0.000 1.961 444 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 444 L C 2.829 179.704 176.870 0.010 0.000 1.072 444 L CA 1.959 56.805 54.840 0.009 0.000 0.749 444 L CB -0.588 41.476 42.059 0.009 0.000 0.889 444 L HN 0.516 nan 8.230 nan 0.000 0.432 445 R N 0.438 120.944 120.500 0.009 0.000 2.185 445 R HA -0.211 4.129 4.340 -0.000 0.000 0.247 445 R C 2.031 178.337 176.300 0.010 0.000 1.159 445 R CA 1.417 57.522 56.100 0.009 0.000 0.988 445 R CB -0.184 30.121 30.300 0.008 0.000 0.871 445 R HN 0.409 nan 8.270 nan 0.000 0.458 446 A N 0.231 123.056 122.820 0.010 0.000 2.119 446 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 446 A C 1.941 179.532 177.584 0.012 0.000 1.152 446 A CA 0.757 52.800 52.037 0.011 0.000 0.708 446 A CB -0.177 18.829 19.000 0.011 0.000 0.805 446 A HN 0.355 nan 8.150 nan 0.000 0.460 447 M N -0.765 118.842 119.600 0.012 0.000 2.492 447 M HA -0.039 4.441 4.480 -0.000 0.000 0.262 447 M C 1.421 177.729 176.300 0.013 0.000 1.090 447 M CA 0.882 56.189 55.300 0.012 0.000 1.110 447 M CB -0.222 32.385 32.600 0.012 0.000 1.407 447 M HN 0.413 nan 8.290 nan 0.000 0.470 448 E N 0.844 121.052 120.200 0.013 0.000 2.358 448 E HA -0.021 4.329 4.350 -0.000 0.000 0.195 448 E C 2.110 178.718 176.600 0.013 0.000 1.010 448 E CA 0.519 56.928 56.400 0.014 0.000 0.856 448 E CB -0.004 29.704 29.700 0.013 0.000 0.795 448 E HN 0.488 nan 8.360 nan 0.000 0.504 449 A N 2.445 125.272 122.820 0.012 0.000 1.870 449 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 449 A C -0.299 177.292 177.584 0.011 0.000 1.224 449 A CA 1.759 53.803 52.037 0.011 0.000 0.650 449 A CB -1.750 17.256 19.000 0.011 0.000 0.836 449 A HN 0.135 nan 8.150 nan 0.000 0.454 450 P HA -0.201 nan 4.420 nan 0.000 0.214 450 P C 1.783 179.090 177.300 0.011 0.000 1.169 450 P CA 1.470 64.576 63.100 0.010 0.000 0.908 450 P CB -0.151 31.555 31.700 0.009 0.000 0.791 451 L N -0.200 121.032 121.223 0.015 0.000 1.956 451 L HA -0.219 4.121 4.340 -0.000 0.000 0.216 451 L C 2.367 179.252 176.870 0.026 0.000 1.073 451 L CA 2.020 56.874 54.840 0.023 0.000 0.762 451 L CB -1.164 40.911 42.059 0.027 0.000 0.889 451 L HN -0.211 nan 8.230 nan 0.000 0.433 452 R N -0.995 119.517 120.500 0.019 0.000 2.140 452 R HA -0.290 4.050 4.340 -0.000 0.000 0.250 452 R C 2.346 178.655 176.300 0.015 0.000 1.150 452 R CA 1.936 58.045 56.100 0.015 0.000 0.966 452 R CB -0.541 29.765 30.300 0.010 0.000 0.869 452 R HN 0.516 nan 8.270 nan 0.000 0.445 453 Q N 0.696 120.504 119.800 0.013 0.000 2.079 453 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 453 Q C 1.880 177.888 176.000 0.013 0.000 0.974 453 Q CA 1.481 57.291 55.803 0.011 0.000 0.840 453 Q CB -0.038 28.705 28.738 0.008 0.000 0.898 453 Q HN 0.218 nan 8.270 nan 0.000 0.430 454 I N -0.215 120.365 120.570 0.016 0.000 2.076 454 I HA -0.261 3.909 4.170 -0.000 0.000 0.237 454 I C 2.268 178.404 176.117 0.032 0.000 1.059 454 I CA 1.057 62.367 61.300 0.017 0.000 1.317 454 I CB -1.551 36.457 38.000 0.014 0.000 1.037 454 I HN 0.101 nan 8.210 nan 0.000 0.398 455 V N 1.143 121.090 119.914 0.054 0.000 2.250 455 V HA -0.328 3.792 4.120 -0.000 0.000 0.253 455 V C 2.646 178.762 176.094 0.037 0.000 1.065 455 V CA 2.179 64.520 62.300 0.069 0.000 1.039 455 V CB -0.926 30.919 31.823 0.037 0.000 0.647 455 V HN 0.360 nan 8.190 nan 0.000 0.446 456 L N 1.014 122.250 121.223 0.021 0.000 1.978 456 L HA -0.239 4.101 4.340 -0.000 0.000 0.218 456 L C 2.230 179.108 176.870 0.014 0.000 1.075 456 L CA 2.350 57.198 54.840 0.013 0.000 0.767 456 L CB -1.208 40.857 42.059 0.010 0.000 0.890 456 L HN 0.366 nan 8.230 nan 0.000 0.434 457 N N -0.830 117.878 118.700 0.013 0.000 2.258 457 N HA -0.188 4.552 4.740 -0.000 0.000 0.187 457 N C 1.676 177.193 175.510 0.011 0.000 1.012 457 N CA 1.722 54.778 53.050 0.009 0.000 0.870 457 N CB -0.823 37.667 38.487 0.005 0.000 0.977 457 N HN 0.492 nan 8.380 nan 0.000 0.434 458 C N -0.752 118.560 119.300 0.019 0.000 2.576 458 C HA 0.326 4.786 4.460 -0.000 0.000 0.267 458 C C 1.634 176.638 174.990 0.024 0.000 1.364 458 C CA 0.107 59.138 59.018 0.022 0.000 1.723 458 C CB -1.034 26.729 27.740 0.039 0.000 1.778 458 C HN 0.603 nan 8.230 nan 0.000 0.572 459 G N 1.112 109.924 108.800 0.020 0.000 2.137 459 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.237 459 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.237 459 G C -0.236 174.675 174.900 0.017 0.000 1.002 459 G CA 0.121 45.231 45.100 0.016 0.000 0.702 459 G HN 0.513 nan 8.290 nan 0.000 0.515 460 E N 0.022 120.234 120.200 0.021 0.000 2.254 460 E HA 0.422 4.772 4.350 -0.000 0.000 0.258 460 E C 0.055 176.650 176.600 -0.008 0.000 1.033 460 E CA -0.852 55.554 56.400 0.010 0.000 0.893 460 E CB 0.601 30.313 29.700 0.020 0.000 1.204 460 E HN 0.208 nan 8.360 nan 0.000 0.425 461 E N 2.058 122.241 120.200 -0.028 0.000 2.104 461 E HA 0.088 4.438 4.350 -0.000 0.000 0.278 461 E C -1.753 174.824 176.600 -0.039 0.000 1.127 461 E CA -1.548 54.834 56.400 -0.029 0.000 0.897 461 E CB 0.746 30.427 29.700 -0.032 0.000 1.043 461 E HN 0.177 nan 8.360 nan 0.000 0.410 462 P HA -0.180 nan 4.420 nan 0.000 0.208 462 P C 1.551 178.839 177.300 -0.019 0.000 1.200 462 P CA 1.610 64.700 63.100 -0.017 0.000 0.924 462 P CB 0.042 31.739 31.700 -0.004 0.000 0.774 463 S N -0.478 115.215 115.700 -0.012 0.000 2.393 463 S HA -0.238 4.232 4.470 -0.000 0.000 0.234 463 S C 2.011 176.604 174.600 -0.012 0.000 1.064 463 S CA 2.320 60.515 58.200 -0.008 0.000 1.088 463 S CB -2.047 61.150 63.200 -0.006 0.000 0.939 463 S HN -0.063 nan 8.310 nan 0.000 0.448 464 V N 1.727 121.628 119.914 -0.021 0.000 2.223 464 V HA -0.149 3.971 4.120 -0.000 0.000 0.244 464 V C 2.713 178.791 176.094 -0.026 0.000 1.045 464 V CA 1.814 64.099 62.300 -0.025 0.000 1.000 464 V CB -0.995 30.810 31.823 -0.030 0.000 0.635 464 V HN 0.486 nan 8.190 nan 0.000 0.445 465 V N 0.309 120.184 119.914 -0.065 0.000 2.252 465 V HA -0.343 3.777 4.120 -0.000 0.000 0.249 465 V C 2.747 178.847 176.094 0.010 0.000 1.056 465 V CA 2.305 64.556 62.300 -0.081 0.000 1.022 465 V CB -1.357 30.280 31.823 -0.310 0.000 0.641 465 V HN 0.588 nan 8.190 nan 0.000 0.445 466 A N 0.657 123.475 122.820 -0.003 0.000 1.881 466 A HA -0.422 3.898 4.320 -0.000 0.000 0.219 466 A C 2.035 179.636 177.584 0.029 0.000 1.215 466 A CA 2.958 55.007 52.037 0.019 0.000 0.648 466 A CB -1.205 17.801 19.000 0.010 0.000 0.832 466 A HN 0.717 nan 8.150 nan 0.000 0.455 467 N N -0.261 118.448 118.700 0.016 0.000 2.027 467 N HA -0.249 4.491 4.740 -0.000 0.000 0.200 467 N C 1.805 177.328 175.510 0.021 0.000 1.042 467 N CA 4.044 57.102 53.050 0.014 0.000 0.871 467 N CB -0.887 37.601 38.487 0.001 0.000 1.063 467 N HN 0.582 nan 8.380 nan 0.000 0.438 468 T N -2.338 112.222 114.554 0.010 0.000 2.849 468 T HA -0.091 4.259 4.350 -0.000 0.000 0.270 468 T C 1.939 176.673 174.700 0.056 0.000 1.066 468 T CA 1.616 63.708 62.100 -0.014 0.000 1.130 468 T CB -0.836 67.938 68.868 -0.156 0.000 0.864 468 T HN 0.073 nan 8.240 nan 0.000 0.481 469 V N 1.478 121.447 119.914 0.091 0.000 2.453 469 V HA -0.061 4.059 4.120 -0.000 0.000 0.247 469 V C 2.852 179.004 176.094 0.097 0.000 1.048 469 V CA 1.294 63.644 62.300 0.083 0.000 1.049 469 V CB -0.467 31.397 31.823 0.068 0.000 0.672 469 V HN 0.417 nan 8.190 nan 0.000 0.457 470 K N 0.941 121.384 120.400 0.073 0.000 2.063 470 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 470 K C 2.286 178.934 176.600 0.080 0.000 1.048 470 K CA 1.576 57.902 56.287 0.064 0.000 0.928 470 K CB -1.113 31.412 32.500 0.041 0.000 0.713 470 K HN 0.514 nan 8.250 nan 0.000 0.442 471 G N 1.573 110.421 108.800 0.080 0.000 2.586 471 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 471 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 471 G C 1.089 176.050 174.900 0.101 0.000 1.216 471 G CA 1.387 46.531 45.100 0.073 0.000 0.786 471 G HN 0.471 nan 8.290 nan 0.000 0.583 472 G N -0.708 108.222 108.800 0.217 0.000 2.527 472 G HA2 0.412 4.372 3.960 -0.000 0.000 0.279 472 G HA3 0.412 4.372 3.960 -0.000 0.000 0.279 472 G C -0.359 174.653 174.900 0.187 0.000 1.374 472 G CA 0.309 45.547 45.100 0.230 0.000 1.053 472 G HN 0.389 nan 8.290 nan 0.000 0.539 473 D N -2.395 118.107 120.400 0.171 0.000 2.752 473 D HA 0.498 5.138 4.640 -0.000 0.000 0.313 473 D C 0.779 177.162 176.300 0.137 0.000 1.225 473 D CA 0.506 54.577 54.000 0.119 0.000 0.976 473 D CB 1.092 41.925 40.800 0.056 0.000 1.443 473 D HN 0.966 nan 8.370 nan 0.000 0.515 474 G N 0.901 109.756 108.800 0.091 0.000 2.582 474 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.288 474 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.288 474 G C 0.249 175.212 174.900 0.105 0.000 1.247 474 G CA 0.076 45.226 45.100 0.084 0.000 0.972 474 G HN 0.550 nan 8.290 nan 0.000 0.557 475 N N 0.494 119.257 118.700 0.104 0.000 2.375 475 N HA 0.102 4.842 4.740 -0.000 0.000 0.220 475 N C 0.033 175.631 175.510 0.148 0.000 1.170 475 N CA 0.236 53.344 53.050 0.097 0.000 0.833 475 N CB 0.056 38.583 38.487 0.067 0.000 1.069 475 N HN 0.474 nan 8.380 nan 0.000 0.479 476 Y N 1.164 121.496 120.300 0.053 0.000 2.436 476 Y HA 0.463 5.013 4.550 -0.000 0.000 0.336 476 Y C 0.648 176.615 175.900 0.112 0.000 1.049 476 Y CA -0.421 57.725 58.100 0.077 0.000 1.294 476 Y CB 0.284 38.786 38.460 0.070 0.000 1.179 476 Y HN 0.076 nan 8.280 nan 0.000 0.520 477 G N 4.235 112.773 108.800 -0.437 0.000 2.815 477 G HA2 0.302 4.262 3.960 -0.000 0.000 0.305 477 G HA3 0.302 4.262 3.960 -0.000 0.000 0.305 477 G C -2.414 172.323 174.900 -0.272 0.000 1.277 477 G CA -0.848 44.035 45.100 -0.361 0.000 0.795 477 G HN 0.547 nan 8.290 nan 0.000 0.528 478 Y N 1.380 121.489 120.300 -0.319 0.000 2.350 478 Y HA 0.599 5.149 4.550 -0.000 0.000 0.338 478 Y C -0.469 175.226 175.900 -0.341 0.000 0.961 478 Y CA -1.597 56.175 58.100 -0.547 0.000 1.100 478 Y CB 1.742 39.700 38.460 -0.837 0.000 1.179 478 Y HN 0.416 nan 8.280 nan 0.000 0.454 479 N N 5.065 123.256 118.700 -0.848 0.000 2.469 479 N HA 0.198 4.938 4.740 -0.000 0.000 0.239 479 N C 0.583 175.483 175.510 -1.016 0.000 1.053 479 N CA 0.688 53.333 53.050 -0.675 0.000 0.937 479 N CB 1.445 39.710 38.487 -0.369 0.000 1.163 479 N HN 0.970 nan 8.380 nan 0.000 0.509 480 A N 4.237 126.540 122.820 -0.862 0.000 1.908 480 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 480 A C 2.090 179.479 177.584 -0.326 0.000 1.181 480 A CA 1.951 53.636 52.037 -0.586 0.000 0.627 480 A CB -0.782 18.087 19.000 -0.218 0.000 0.818 480 A HN 0.731 nan 8.150 nan 0.000 0.445 481 A N -0.935 121.734 122.820 -0.252 0.000 2.076 481 A HA -0.058 4.262 4.320 -0.000 0.000 0.220 481 A C 2.156 179.656 177.584 -0.140 0.000 1.160 481 A CA 2.493 54.439 52.037 -0.153 0.000 0.653 481 A CB -0.766 18.160 19.000 -0.122 0.000 0.801 481 A HN 0.947 nan 8.150 nan 0.000 0.455 482 T N -5.489 108.947 114.554 -0.197 0.000 2.986 482 T HA 0.283 4.633 4.350 -0.000 0.000 0.264 482 T C 0.275 174.899 174.700 -0.127 0.000 0.964 482 T CA 0.670 62.691 62.100 -0.131 0.000 0.895 482 T CB -0.094 68.707 68.868 -0.111 0.000 1.163 482 T HN 0.525 nan 8.240 nan 0.000 0.517 483 E N 0.858 120.900 120.200 -0.263 0.000 2.868 483 E HA -0.154 4.196 4.350 -0.000 0.000 0.278 483 E C -0.799 175.827 176.600 0.044 0.000 1.009 483 E CA 0.616 56.970 56.400 -0.076 0.000 0.856 483 E CB -1.689 28.076 29.700 0.108 0.000 1.428 483 E HN 0.751 nan 8.360 nan 0.000 0.423 484 E N -0.011 120.090 120.200 -0.165 0.000 2.199 484 E HA 0.371 4.721 4.350 -0.000 0.000 0.265 484 E C -0.661 175.935 176.600 -0.006 0.000 0.882 484 E CA -0.646 55.770 56.400 0.027 0.000 0.759 484 E CB 1.032 30.751 29.700 0.031 0.000 1.148 484 E HN 0.040 nan 8.360 nan 0.000 0.412 485 Y N 1.096 121.506 120.300 0.183 0.000 2.260 485 Y HA 0.594 5.144 4.550 -0.000 0.000 0.339 485 Y C 1.330 177.334 175.900 0.173 0.000 1.317 485 Y CA 0.546 58.720 58.100 0.123 0.000 1.514 485 Y CB 0.977 39.527 38.460 0.149 0.000 1.382 485 Y HN 0.717 nan 8.280 nan 0.000 0.581 486 G N 0.051 109.080 108.800 0.382 0.000 2.334 486 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.249 486 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.249 486 G C -1.601 173.498 174.900 0.332 0.000 1.327 486 G CA -1.049 44.302 45.100 0.418 0.000 0.979 486 G HN 0.571 nan 8.290 nan 0.000 0.471 487 N N 1.585 120.408 118.700 0.203 0.000 2.521 487 N HA 0.179 4.919 4.740 -0.000 0.000 0.236 487 N C 1.917 177.469 175.510 0.070 0.000 1.067 487 N CA -0.520 52.616 53.050 0.144 0.000 0.939 487 N CB 0.551 39.101 38.487 0.104 0.000 1.201 487 N HN 0.403 nan 8.380 nan 0.000 0.511 488 M N 2.969 122.595 119.600 0.043 0.000 2.146 488 M HA -0.233 4.247 4.480 -0.000 0.000 0.256 488 M C 1.647 177.949 176.300 0.003 0.000 1.075 488 M CA 1.449 56.747 55.300 -0.003 0.000 1.082 488 M CB -0.623 31.965 32.600 -0.019 0.000 1.355 488 M HN 0.562 nan 8.290 nan 0.000 0.402 489 I N -0.232 120.351 120.570 0.021 0.000 2.233 489 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 489 I C 1.882 178.009 176.117 0.017 0.000 1.093 489 I CA 1.042 62.352 61.300 0.017 0.000 1.380 489 I CB -0.537 37.477 38.000 0.023 0.000 1.067 489 I HN 0.193 nan 8.210 nan 0.000 0.413 490 D N 0.963 121.380 120.400 0.027 0.000 2.144 490 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 490 D C 2.122 178.431 176.300 0.016 0.000 0.984 490 D CA 1.389 55.404 54.000 0.025 0.000 0.834 490 D CB -0.222 40.599 40.800 0.036 0.000 0.955 490 D HN 0.312 nan 8.370 nan 0.000 0.465 491 M N -0.594 119.014 119.600 0.013 0.000 2.686 491 M HA 0.101 4.581 4.480 -0.000 0.000 0.246 491 M C 1.101 177.393 176.300 -0.015 0.000 1.096 491 M CA 0.789 56.087 55.300 -0.003 0.000 1.076 491 M CB 0.108 32.698 32.600 -0.016 0.000 1.504 491 M HN 0.097 nan 8.290 nan 0.000 0.524 492 G N 1.515 110.310 108.800 -0.008 0.000 2.147 492 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.244 492 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 492 G C -0.143 174.745 174.900 -0.019 0.000 1.005 492 G CA -0.360 44.734 45.100 -0.011 0.000 0.713 492 G HN 0.407 nan 8.290 nan 0.000 0.515 493 I N 1.410 121.965 120.570 -0.024 0.000 2.405 493 I HA 0.626 4.796 4.170 -0.000 0.000 0.280 493 I C 0.571 176.674 176.117 -0.022 0.000 1.027 493 I CA -0.785 60.494 61.300 -0.034 0.000 1.161 493 I CB 0.300 38.265 38.000 -0.059 0.000 1.300 493 I HN 0.396 nan 8.210 nan 0.000 0.463 494 L N 3.279 124.494 121.223 -0.015 0.000 2.654 494 L HA 0.845 5.185 4.340 -0.000 0.000 0.257 494 L C -1.609 175.258 176.870 -0.005 0.000 1.093 494 L CA -0.842 53.994 54.840 -0.007 0.000 0.903 494 L CB 2.775 44.835 42.059 0.001 0.000 1.520 494 L HN 0.058 nan 8.230 nan 0.000 0.402 495 D N -0.217 120.183 120.400 -0.000 0.000 2.964 495 D HA 0.432 5.072 4.640 -0.000 0.000 0.234 495 D C -2.812 173.491 176.300 0.006 0.000 1.223 495 D CA -1.148 52.853 54.000 0.002 0.000 0.889 495 D CB 2.629 43.429 40.800 -0.000 0.000 1.609 495 D HN 0.311 nan 8.370 nan 0.000 0.523 496 P HA 0.024 nan 4.420 nan 0.000 0.262 496 P C 0.923 178.227 177.300 0.007 0.000 1.199 496 P CA 0.235 63.342 63.100 0.011 0.000 0.763 496 P CB 0.602 32.312 31.700 0.017 0.000 0.790 497 T N 3.055 117.613 114.554 0.007 0.000 2.680 497 T HA -0.283 4.067 4.350 -0.000 0.000 0.268 497 T C 1.631 176.330 174.700 -0.002 0.000 1.033 497 T CA 1.639 63.740 62.100 0.003 0.000 1.152 497 T CB -0.362 68.509 68.868 0.004 0.000 0.859 497 T HN 0.509 nan 8.240 nan 0.000 0.452 498 K N 0.738 121.138 120.400 -0.000 0.000 2.000 498 K HA -0.197 4.123 4.320 -0.000 0.000 0.218 498 K C 2.465 179.059 176.600 -0.011 0.000 1.053 498 K CA 2.233 58.517 56.287 -0.006 0.000 0.946 498 K CB -0.629 31.873 32.500 0.003 0.000 0.723 498 K HN 0.354 nan 8.250 nan 0.000 0.446 499 V N -0.406 119.508 119.914 -0.001 0.000 2.252 499 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 499 V C 1.979 178.074 176.094 0.001 0.000 1.056 499 V CA 2.620 64.922 62.300 0.002 0.000 1.022 499 V CB -1.453 30.373 31.823 0.004 0.000 0.641 499 V HN 0.419 nan 8.190 nan 0.000 0.445 500 T N 0.270 114.823 114.554 -0.000 0.000 2.665 500 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 500 T C 1.968 176.664 174.700 -0.007 0.000 1.035 500 T CA 2.509 64.609 62.100 0.000 0.000 1.151 500 T CB -0.435 68.433 68.868 0.000 0.000 0.862 500 T HN 0.675 nan 8.240 nan 0.000 0.438 501 R N 0.907 121.396 120.500 -0.018 0.000 2.075 501 R HA -0.124 4.216 4.340 -0.000 0.000 0.230 501 R C 2.631 178.894 176.300 -0.063 0.000 1.140 501 R CA 1.941 58.020 56.100 -0.037 0.000 0.928 501 R CB -0.548 29.726 30.300 -0.044 0.000 0.834 501 R HN 0.300 nan 8.270 nan 0.000 0.429 502 S N 1.075 116.726 115.700 -0.082 0.000 2.414 502 S HA -0.323 4.147 4.470 -0.000 0.000 0.238 502 S C 2.118 176.686 174.600 -0.053 0.000 1.055 502 S CA 1.707 59.821 58.200 -0.144 0.000 1.174 502 S CB -0.887 62.278 63.200 -0.059 0.000 1.087 502 S HN 0.632 nan 8.310 nan 0.000 0.428 503 A N 2.284 125.127 122.820 0.039 0.000 1.870 503 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 503 A C 2.151 179.779 177.584 0.073 0.000 1.224 503 A CA 2.010 54.099 52.037 0.087 0.000 0.650 503 A CB -1.169 17.860 19.000 0.049 0.000 0.836 503 A HN 0.455 nan 8.150 nan 0.000 0.454 504 L N -0.315 120.924 121.223 0.027 0.000 2.043 504 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 504 L C 2.559 179.440 176.870 0.017 0.000 1.075 504 L CA 2.703 57.555 54.840 0.020 0.000 0.752 504 L CB -1.162 40.899 42.059 0.003 0.000 0.891 504 L HN 0.612 nan 8.230 nan 0.000 0.432 505 Q N -1.348 118.436 119.800 -0.027 0.000 2.016 505 Q HA -0.235 4.105 4.340 -0.000 0.000 0.200 505 Q C 2.120 178.136 176.000 0.028 0.000 0.978 505 Q CA 1.681 57.452 55.803 -0.054 0.000 0.833 505 Q CB -0.331 28.306 28.738 -0.169 0.000 0.895 505 Q HN 0.438 nan 8.270 nan 0.000 0.427 506 Y N 0.792 121.091 120.300 -0.001 0.000 2.128 506 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 506 Y C 2.491 178.390 175.900 -0.002 0.000 1.154 506 Y CA 0.939 59.038 58.100 -0.002 0.000 1.149 506 Y CB -1.028 37.430 38.460 -0.004 0.000 0.976 506 Y HN 0.156 nan 8.280 nan 0.000 0.505 507 A N -0.053 122.872 122.820 0.175 0.000 1.883 507 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 507 A C 2.542 180.168 177.584 0.070 0.000 1.186 507 A CA 2.403 54.494 52.037 0.090 0.000 0.624 507 A CB -1.371 17.666 19.000 0.062 0.000 0.822 507 A HN 0.421 nan 8.150 nan 0.000 0.444 508 A N -0.666 122.192 122.820 0.063 0.000 1.883 508 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 508 A C 2.467 180.081 177.584 0.051 0.000 1.186 508 A CA 2.459 54.522 52.037 0.043 0.000 0.624 508 A CB -1.205 17.812 19.000 0.028 0.000 0.822 508 A HN 0.719 nan 8.150 nan 0.000 0.444 509 S N -0.741 115.007 115.700 0.079 0.000 2.414 509 S HA -0.219 4.251 4.470 -0.000 0.000 0.225 509 S C 1.991 176.628 174.600 0.061 0.000 1.041 509 S CA 2.393 60.645 58.200 0.087 0.000 1.114 509 S CB -0.982 62.319 63.200 0.169 0.000 1.064 509 S HN 0.894 nan 8.310 nan 0.000 0.420 510 V N 2.135 122.085 119.914 0.061 0.000 2.324 510 V HA -0.126 3.994 4.120 -0.000 0.000 0.250 510 V C 2.594 178.701 176.094 0.022 0.000 1.060 510 V CA 2.450 64.768 62.300 0.030 0.000 1.042 510 V CB -1.451 30.381 31.823 0.014 0.000 0.650 510 V HN 0.679 nan 8.190 nan 0.000 0.450 511 A N 0.248 123.084 122.820 0.026 0.000 1.834 511 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 511 A C 2.480 180.073 177.584 0.014 0.000 1.203 511 A CA 2.302 54.349 52.037 0.018 0.000 0.621 511 A CB -1.772 17.240 19.000 0.019 0.000 0.841 511 A HN 0.731 nan 8.150 nan 0.000 0.446 512 G N -0.522 108.288 108.800 0.017 0.000 2.469 512 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 512 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 512 G C 1.447 176.354 174.900 0.012 0.000 1.150 512 G CA 1.332 46.440 45.100 0.014 0.000 0.763 512 G HN 0.393 nan 8.290 nan 0.000 0.561 513 L N 0.300 121.532 121.223 0.015 0.000 2.034 513 L HA -0.142 4.198 4.340 -0.000 0.000 0.217 513 L C 3.012 179.884 176.870 0.004 0.000 1.077 513 L CA 1.832 56.679 54.840 0.011 0.000 0.769 513 L CB -0.386 41.681 42.059 0.014 0.000 0.890 513 L HN 0.291 nan 8.230 nan 0.000 0.435 514 M N -1.765 117.836 119.600 0.003 0.000 2.098 514 M HA -0.183 4.297 4.480 -0.000 0.000 0.262 514 M C 2.194 178.491 176.300 -0.005 0.000 1.072 514 M CA 1.647 56.944 55.300 -0.004 0.000 1.133 514 M CB -0.407 32.191 32.600 -0.003 0.000 1.344 514 M HN 0.151 nan 8.290 nan 0.000 0.414 515 I N 0.491 121.061 120.570 -0.000 0.000 2.623 515 I HA -0.260 3.910 4.170 -0.000 0.000 0.261 515 I C 1.894 178.011 176.117 0.001 0.000 1.204 515 I CA 1.503 62.803 61.300 0.000 0.000 1.444 515 I CB -0.710 37.292 38.000 0.004 0.000 1.094 515 I HN 0.478 nan 8.210 nan 0.000 0.451 516 T N -4.671 109.884 114.554 0.001 0.000 3.044 516 T HA 0.125 4.475 4.350 -0.000 0.000 0.260 516 T C 0.728 175.428 174.700 -0.001 0.000 1.019 516 T CA -0.230 61.871 62.100 0.002 0.000 0.921 516 T CB -0.208 68.663 68.868 0.005 0.000 1.053 516 T HN -0.025 nan 8.240 nan 0.000 0.533 517 T N 3.070 117.619 114.554 -0.008 0.000 2.814 517 T HA 0.233 4.583 4.350 -0.000 0.000 0.297 517 T C 0.617 175.303 174.700 -0.023 0.000 0.956 517 T CA -0.266 61.823 62.100 -0.020 0.000 1.123 517 T CB 1.092 69.943 68.868 -0.029 0.000 0.902 517 T HN 0.141 nan 8.240 nan 0.000 0.528 518 E N 0.652 120.838 120.200 -0.022 0.000 2.511 518 E HA 0.192 4.542 4.350 -0.000 0.000 0.209 518 E C 0.142 176.704 176.600 -0.064 0.000 0.986 518 E CA 0.049 56.447 56.400 -0.003 0.000 0.974 518 E CB 0.712 30.440 29.700 0.046 0.000 1.030 518 E HN 0.537 nan 8.360 nan 0.000 0.490 519 C N 0.276 119.485 119.300 -0.152 0.000 3.086 519 C HA 0.683 5.143 4.460 -0.000 0.000 0.311 519 C C -1.503 173.333 174.990 -0.256 0.000 1.260 519 C CA -0.540 58.270 59.018 -0.346 0.000 1.426 519 C CB 0.968 28.448 27.740 -0.432 0.000 1.826 519 C HN 0.141 nan 8.230 nan 0.000 0.474 520 M N 4.216 123.632 119.600 -0.308 0.000 2.271 520 M HA 0.499 4.979 4.480 -0.000 0.000 0.285 520 M C -1.237 175.097 176.300 0.057 0.000 1.059 520 M CA -0.405 54.831 55.300 -0.106 0.000 0.940 520 M CB 1.987 34.497 32.600 -0.150 0.000 1.636 520 M HN 0.352 nan 8.290 nan 0.000 0.460 521 V N 1.343 121.320 119.914 0.105 0.000 2.628 521 V HA 0.905 5.025 4.120 -0.000 0.000 0.306 521 V C -0.160 175.986 176.094 0.086 0.000 1.045 521 V CA -0.342 62.023 62.300 0.109 0.000 0.905 521 V CB 2.136 33.971 31.823 0.020 0.000 0.997 521 V HN 0.952 nan 8.190 nan 0.000 0.436 522 T N 1.287 115.843 114.554 0.003 0.000 2.700 522 T HA 0.285 4.635 4.350 -0.000 0.000 0.307 522 T C -1.778 172.840 174.700 -0.136 0.000 1.580 522 T CA -0.593 61.434 62.100 -0.120 0.000 0.992 522 T CB 1.835 70.511 68.868 -0.319 0.000 1.577 522 T HN 0.634 nan 8.240 nan 0.000 0.496 523 D N 1.227 121.543 120.400 -0.141 0.000 2.358 523 D HA 0.411 5.051 4.640 -0.000 0.000 0.244 523 D C 0.131 176.348 176.300 -0.140 0.000 1.163 523 D CA -0.082 53.853 54.000 -0.108 0.000 0.945 523 D CB 0.524 41.275 40.800 -0.083 0.000 1.152 523 D HN 0.411 nan 8.370 nan 0.000 0.451 524 L N 2.328 123.497 121.223 -0.090 0.000 2.375 524 L HA 0.183 4.523 4.340 -0.000 0.000 0.271 524 L C -0.517 176.305 176.870 -0.079 0.000 1.107 524 L CA -1.340 53.451 54.840 -0.082 0.000 0.806 524 L CB 0.745 42.779 42.059 -0.041 0.000 1.146 524 L HN 0.348 nan 8.230 nan 0.000 0.447 525 P HA -0.116 nan 4.420 nan 0.000 0.214 525 P C 0.140 177.415 177.300 -0.042 0.000 1.163 525 P CA 1.574 64.637 63.100 -0.063 0.000 0.889 525 P CB 0.169 31.839 31.700 -0.050 0.000 0.790 526 K N 0.000 120.381 120.400 -0.031 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543