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 2nwc_1_M DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 3 A N 2.322 125.142 122.820 0.001 0.000 2.531 3 A HA 0.519 4.838 4.320 -0.001 0.000 0.236 3 A C 0.315 177.900 177.584 0.003 0.000 1.062 3 A CA 0.448 52.489 52.037 0.007 0.000 0.760 3 A CB 0.010 19.016 19.000 0.012 0.000 0.995 3 A HN 0.635 nan 8.150 nan 0.000 0.501 4 K N 1.175 121.581 120.400 0.010 0.000 2.238 4 K HA 0.411 4.731 4.320 -0.001 0.000 0.239 4 K C -1.277 175.342 176.600 0.032 0.000 0.987 4 K CA -0.727 55.562 56.287 0.004 0.000 0.857 4 K CB 1.606 34.105 32.500 -0.001 0.000 1.154 4 K HN 0.704 nan 8.250 nan 0.000 0.439 5 D N 1.308 121.732 120.400 0.041 0.000 2.349 5 D HA 0.281 4.921 4.640 -0.001 0.000 0.232 5 D C -1.205 175.236 176.300 0.235 0.000 1.071 5 D CA -0.529 53.560 54.000 0.149 0.000 0.832 5 D CB 1.086 42.007 40.800 0.201 0.000 1.086 5 D HN 0.049 nan 8.370 nan 0.000 0.504 6 V N 4.450 124.449 119.914 0.142 0.000 2.384 6 V HA 0.430 4.550 4.120 -0.001 0.000 0.287 6 V C 0.330 176.308 176.094 -0.193 0.000 1.020 6 V CA -0.734 61.549 62.300 -0.029 0.000 0.850 6 V CB 1.543 33.294 31.823 -0.120 0.000 0.987 6 V HN 0.335 nan 8.190 nan 0.000 0.436 7 K N 3.482 123.678 120.400 -0.340 0.000 2.259 7 K HA 0.749 5.069 4.320 -0.001 0.000 0.249 7 K C -1.503 174.770 176.600 -0.544 0.000 0.942 7 K CA -0.483 55.527 56.287 -0.461 0.000 0.816 7 K CB 2.139 34.179 32.500 -0.766 0.000 1.155 7 K HN 0.465 nan 8.250 nan 0.000 0.428 8 F N -0.035 119.863 119.950 -0.087 0.000 2.579 8 F HA 0.390 4.916 4.527 -0.000 0.000 0.324 8 F C 1.349 177.120 175.800 -0.049 0.000 1.058 8 F CA 0.048 58.021 58.000 -0.044 0.000 0.944 8 F CB 1.501 40.484 39.000 -0.029 0.000 1.245 8 F HN 0.812 nan 8.300 nan 0.000 0.477 9 G N 1.654 110.569 108.800 0.191 0.000 2.685 9 G HA2 -0.473 3.487 3.960 -0.001 0.000 0.357 9 G HA3 -0.473 3.487 3.960 -0.001 0.000 0.357 9 G C 1.350 176.276 174.900 0.042 0.000 1.272 9 G CA 1.100 46.257 45.100 0.096 0.000 0.972 9 G HN 0.802 nan 8.290 nan 0.000 0.550 10 N N 0.440 119.158 118.700 0.029 0.000 2.166 10 N HA -0.160 4.579 4.740 -0.001 0.000 0.186 10 N C 1.878 177.381 175.510 -0.012 0.000 1.019 10 N CA 1.993 55.047 53.050 0.008 0.000 0.856 10 N CB -0.260 38.231 38.487 0.006 0.000 0.993 10 N HN 0.540 nan 8.380 nan 0.000 0.426 11 D N 0.571 120.960 120.400 -0.019 0.000 2.104 11 D HA -0.083 4.557 4.640 -0.001 0.000 0.194 11 D C 1.819 178.046 176.300 -0.121 0.000 0.994 11 D CA 1.423 55.384 54.000 -0.065 0.000 0.830 11 D CB -0.286 40.475 40.800 -0.064 0.000 0.959 11 D HN 0.368 nan 8.370 nan 0.000 0.452 12 A N 0.303 123.052 122.820 -0.119 0.000 1.933 12 A HA -0.131 4.189 4.320 -0.001 0.000 0.218 12 A C 2.342 179.892 177.584 -0.057 0.000 1.175 12 A CA 1.312 53.263 52.037 -0.143 0.000 0.628 12 A CB -0.438 18.500 19.000 -0.104 0.000 0.814 12 A HN 0.192 nan 8.150 nan 0.000 0.444 13 R N -0.454 120.030 120.500 -0.026 0.000 2.090 13 R HA -0.086 4.254 4.340 -0.001 0.000 0.228 13 R C 2.187 178.486 176.300 -0.002 0.000 1.110 13 R CA 1.477 57.575 56.100 -0.003 0.000 0.973 13 R CB -0.520 29.783 30.300 0.006 0.000 0.869 13 R HN 0.592 nan 8.270 nan 0.000 0.440 14 V N -0.525 119.380 119.914 -0.014 0.000 2.515 14 V HA -0.142 3.978 4.120 -0.001 0.000 0.250 14 V C 1.918 178.011 176.094 -0.002 0.000 1.058 14 V CA 1.364 63.660 62.300 -0.008 0.000 1.064 14 V CB -0.338 31.478 31.823 -0.012 0.000 0.675 14 V HN 0.074 nan 8.190 nan 0.000 0.461 15 K N 0.028 120.420 120.400 -0.013 0.000 2.032 15 K HA -0.072 4.247 4.320 -0.001 0.000 0.209 15 K C 2.250 178.882 176.600 0.053 0.000 1.048 15 K CA 2.230 58.528 56.287 0.019 0.000 0.927 15 K CB -0.534 31.966 32.500 0.001 0.000 0.712 15 K HN 0.521 nan 8.250 nan 0.000 0.441 16 M N 0.356 119.986 119.600 0.050 0.000 2.080 16 M HA -0.208 4.272 4.480 -0.001 0.000 0.260 16 M C 2.277 178.598 176.300 0.036 0.000 1.068 16 M CA 1.214 56.545 55.300 0.052 0.000 1.109 16 M CB -0.335 32.292 32.600 0.045 0.000 1.342 16 M HN 0.048 nan 8.290 nan 0.000 0.405 17 L N 0.517 121.755 121.223 0.025 0.000 2.012 17 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 17 L C 2.342 179.224 176.870 0.020 0.000 1.073 17 L CA 1.941 56.793 54.840 0.020 0.000 0.748 17 L CB -0.536 41.532 42.059 0.015 0.000 0.891 17 L HN 0.168 nan 8.230 nan 0.000 0.431 18 R N -0.609 119.903 120.500 0.021 0.000 2.091 18 R HA -0.126 4.214 4.340 -0.001 0.000 0.238 18 R C 2.226 178.541 176.300 0.025 0.000 1.136 18 R CA 1.216 57.329 56.100 0.022 0.000 0.959 18 R CB -1.049 29.264 30.300 0.023 0.000 0.856 18 R HN 0.603 nan 8.270 nan 0.000 0.437 19 G N 0.569 109.388 108.800 0.031 0.000 2.421 19 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.216 19 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.216 19 G C 1.435 176.348 174.900 0.022 0.000 1.171 19 G CA 0.876 45.994 45.100 0.030 0.000 0.775 19 G HN 0.306 nan 8.290 nan 0.000 0.543 20 V N 0.937 120.864 119.914 0.022 0.000 2.515 20 V HA -0.135 3.984 4.120 -0.001 0.000 0.250 20 V C 2.326 178.430 176.094 0.016 0.000 1.058 20 V CA 2.411 64.722 62.300 0.018 0.000 1.064 20 V CB -0.552 31.283 31.823 0.020 0.000 0.675 20 V HN 0.252 nan 8.190 nan 0.000 0.461 21 N N 0.704 119.414 118.700 0.016 0.000 2.094 21 N HA -0.148 4.592 4.740 -0.001 0.000 0.191 21 N C 1.795 177.312 175.510 0.012 0.000 1.023 21 N CA 1.985 55.044 53.050 0.014 0.000 0.857 21 N CB -0.683 37.812 38.487 0.014 0.000 1.013 21 N HN 0.510 nan 8.380 nan 0.000 0.426 22 V N 1.343 121.264 119.914 0.013 0.000 2.295 22 V HA -0.177 3.942 4.120 -0.001 0.000 0.246 22 V C 2.404 178.503 176.094 0.009 0.000 1.049 22 V CA 1.140 63.446 62.300 0.011 0.000 1.024 22 V CB -0.636 31.194 31.823 0.011 0.000 0.648 22 V HN 0.203 nan 8.190 nan 0.000 0.447 23 L N 0.955 122.183 121.223 0.009 0.000 2.017 23 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 23 L C 2.405 179.279 176.870 0.007 0.000 1.073 23 L CA 2.491 57.335 54.840 0.006 0.000 0.745 23 L CB -0.880 41.183 42.059 0.006 0.000 0.894 23 L HN 0.203 nan 8.230 nan 0.000 0.432 24 A N -0.817 122.008 122.820 0.009 0.000 1.873 24 A HA -0.178 4.142 4.320 -0.001 0.000 0.215 24 A C 1.964 179.554 177.584 0.009 0.000 1.186 24 A CA 1.685 53.728 52.037 0.010 0.000 0.616 24 A CB -0.869 18.139 19.000 0.013 0.000 0.823 24 A HN 0.533 nan 8.150 nan 0.000 0.442 25 D N 0.182 120.588 120.400 0.009 0.000 2.178 25 D HA -0.019 4.621 4.640 -0.001 0.000 0.201 25 D C 2.081 178.385 176.300 0.007 0.000 0.980 25 D CA 1.368 55.373 54.000 0.009 0.000 0.842 25 D CB -0.307 40.498 40.800 0.009 0.000 0.948 25 D HN 0.440 nan 8.370 nan 0.000 0.472 26 A N 0.156 122.979 122.820 0.006 0.000 1.929 26 A HA -0.053 4.267 4.320 -0.001 0.000 0.216 26 A C 2.406 179.992 177.584 0.003 0.000 1.176 26 A CA 0.794 52.833 52.037 0.004 0.000 0.628 26 A CB -0.383 18.618 19.000 0.003 0.000 0.816 26 A HN 0.152 nan 8.150 nan 0.000 0.444 27 V N 0.931 120.848 119.914 0.004 0.000 2.500 27 V HA -0.155 3.965 4.120 -0.001 0.000 0.243 27 V C 2.466 178.563 176.094 0.005 0.000 1.039 27 V CA 1.948 64.250 62.300 0.003 0.000 1.053 27 V CB -0.391 31.434 31.823 0.003 0.000 0.695 27 V HN 0.822 nan 8.190 nan 0.000 0.463 28 K N 1.276 121.680 120.400 0.008 0.000 2.362 28 K HA -0.075 4.244 4.320 -0.001 0.000 0.200 28 K C 1.723 178.329 176.600 0.010 0.000 1.046 28 K CA 1.654 57.947 56.287 0.010 0.000 0.952 28 K CB -0.456 32.051 32.500 0.012 0.000 0.753 28 K HN 0.480 nan 8.250 nan 0.000 0.466 29 V N -0.171 119.748 119.914 0.008 0.000 2.970 29 V HA -0.113 4.006 4.120 -0.001 0.000 0.260 29 V C 2.141 178.238 176.094 0.006 0.000 1.100 29 V CA 1.584 63.888 62.300 0.007 0.000 1.122 29 V CB -0.939 30.888 31.823 0.006 0.000 0.721 29 V HN 0.515 nan 8.190 nan 0.000 0.483 30 T N -2.247 112.310 114.554 0.005 0.000 3.081 30 T HA 0.211 4.561 4.350 -0.001 0.000 0.255 30 T C 0.628 175.330 174.700 0.004 0.000 1.113 30 T CA -0.037 62.065 62.100 0.003 0.000 1.082 30 T CB -0.261 68.607 68.868 -0.000 0.000 0.939 30 T HN 0.338 nan 8.240 nan 0.000 0.506 31 L N 2.524 123.752 121.223 0.008 0.000 2.453 31 L HA 0.533 4.873 4.340 -0.001 0.000 0.272 31 L C 0.942 177.820 176.870 0.014 0.000 1.182 31 L CA 1.552 56.399 54.840 0.012 0.000 0.858 31 L CB -0.369 41.700 42.059 0.016 0.000 1.120 31 L HN 0.728 nan 8.230 nan 0.000 0.474 32 G N 4.410 113.218 108.800 0.013 0.000 2.756 32 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.678 32 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.678 32 G C -1.968 172.935 174.900 0.004 0.000 1.349 32 G CA -0.287 44.821 45.100 0.014 0.000 0.847 32 G HN 0.585 nan 8.290 nan 0.000 0.548 33 P HA 0.047 nan 4.420 nan 0.000 0.221 33 P C 0.837 178.132 177.300 -0.008 0.000 1.150 33 P CA 1.161 64.255 63.100 -0.011 0.000 0.800 33 P CB 0.151 31.837 31.700 -0.023 0.000 0.787 34 K N 0.556 120.955 120.400 -0.002 0.000 2.681 34 K HA 0.271 4.590 4.320 -0.001 0.000 0.211 34 K C 0.960 177.562 176.600 0.003 0.000 1.075 34 K CA -0.184 56.103 56.287 -0.000 0.000 1.141 34 K CB 0.452 32.954 32.500 0.003 0.000 0.896 34 K HN 0.048 nan 8.250 nan 0.000 0.470 35 G N 1.449 110.250 108.800 0.003 0.000 2.491 35 G HA2 0.063 4.022 3.960 -0.001 0.000 0.238 35 G HA3 0.063 4.022 3.960 -0.001 0.000 0.238 35 G C 0.202 175.103 174.900 0.002 0.000 1.277 35 G CA -0.402 44.700 45.100 0.003 0.000 0.851 35 G HN 0.115 nan 8.290 nan 0.000 0.573 36 R N 0.871 121.372 120.500 0.003 0.000 2.543 36 R HA 0.173 4.513 4.340 -0.001 0.000 0.268 36 R C 0.046 176.346 176.300 0.000 0.000 1.067 36 R CA -0.658 55.443 56.100 0.002 0.000 1.142 36 R CB 0.466 30.768 30.300 0.003 0.000 1.110 36 R HN 0.635 nan 8.270 nan 0.000 0.549 37 N N -0.652 118.047 118.700 -0.000 0.000 2.529 37 N HA 0.214 4.954 4.740 -0.001 0.000 0.278 37 N C -0.823 174.687 175.510 -0.000 0.000 1.146 37 N CA -0.291 52.758 53.050 -0.001 0.000 0.980 37 N CB 1.082 39.569 38.487 -0.001 0.000 1.124 37 N HN 0.115 nan 8.380 nan 0.000 0.458 38 V N 2.091 122.004 119.914 -0.001 0.000 2.495 38 V HA 0.336 4.455 4.120 -0.001 0.000 0.298 38 V C -0.254 175.839 176.094 -0.000 0.000 1.031 38 V CA -0.835 61.465 62.300 -0.000 0.000 0.871 38 V CB 1.794 33.616 31.823 -0.001 0.000 0.988 38 V HN 0.325 nan 8.190 nan 0.000 0.432 39 V N 6.284 126.198 119.914 0.001 0.000 2.350 39 V HA 0.435 4.554 4.120 -0.001 0.000 0.276 39 V C -0.178 175.917 176.094 0.002 0.000 1.028 39 V CA -0.380 61.921 62.300 0.001 0.000 0.860 39 V CB 1.228 33.052 31.823 0.002 0.000 0.990 39 V HN 0.613 nan 8.190 nan 0.000 0.453 40 L N 3.994 125.218 121.223 0.002 0.000 2.276 40 L HA 0.490 4.829 4.340 -0.001 0.000 0.286 40 L C -0.098 176.776 176.870 0.007 0.000 1.024 40 L CA -0.529 54.313 54.840 0.003 0.000 0.826 40 L CB 1.481 43.540 42.059 0.000 0.000 1.211 40 L HN 0.519 nan 8.230 nan 0.000 0.422 41 D N 2.799 123.204 120.400 0.008 0.000 2.389 41 D HA 0.140 4.779 4.640 -0.001 0.000 0.247 41 D C 0.147 176.459 176.300 0.020 0.000 1.128 41 D CA 0.284 54.291 54.000 0.012 0.000 0.884 41 D CB 1.469 42.274 40.800 0.008 0.000 1.194 41 D HN 0.343 nan 8.370 nan 0.000 0.441 42 K N 0.431 120.850 120.400 0.031 0.000 2.660 42 K HA 0.467 4.787 4.320 -0.001 0.000 0.262 42 K C 0.703 177.340 176.600 0.062 0.000 0.981 42 K CA -0.248 56.070 56.287 0.052 0.000 1.532 42 K CB 0.518 33.059 32.500 0.070 0.000 2.490 42 K HN 0.298 nan 8.250 nan 0.000 0.886 43 S N -1.802 113.962 115.700 0.107 0.000 3.102 43 S HA 0.308 4.778 4.470 -0.001 0.000 0.265 43 S C -0.595 174.017 174.600 0.019 0.000 1.072 43 S CA -0.454 57.788 58.200 0.069 0.000 0.946 43 S CB 0.277 63.545 63.200 0.113 0.000 0.901 43 S HN 0.238 nan 8.310 nan 0.000 0.437 44 F N 2.925 122.873 119.950 -0.003 0.000 2.410 44 F HA 0.536 5.062 4.527 -0.001 0.000 0.348 44 F C 1.496 177.294 175.800 -0.003 0.000 1.106 44 F CA 0.910 58.909 58.000 -0.003 0.000 1.163 44 F CB 0.747 39.746 39.000 -0.002 0.000 1.129 44 F HN 0.501 nan 8.300 nan 0.000 0.516 45 G N 1.923 110.789 108.800 0.110 0.000 2.547 45 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.271 45 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.271 45 G C -0.476 174.448 174.900 0.041 0.000 1.209 45 G CA -0.440 44.702 45.100 0.071 0.000 0.959 45 G HN 1.089 nan 8.290 nan 0.000 0.563 46 A N 0.658 123.500 122.820 0.037 0.000 2.269 46 A HA 0.863 5.182 4.320 -0.001 0.000 0.319 46 A C -1.835 175.764 177.584 0.025 0.000 1.110 46 A CA -0.367 51.683 52.037 0.023 0.000 0.847 46 A CB 0.462 19.472 19.000 0.017 0.000 1.161 46 A HN 0.767 nan 8.150 nan 0.000 0.497 47 P HA 0.344 nan 4.420 nan 0.000 0.274 47 P C -0.532 176.775 177.300 0.012 0.000 1.237 47 P CA -0.078 63.031 63.100 0.015 0.000 0.793 47 P CB 0.490 32.195 31.700 0.009 0.000 0.977 48 T N 2.272 116.832 114.554 0.010 0.000 2.780 48 T HA 0.405 4.754 4.350 -0.001 0.000 0.294 48 T C 0.391 175.093 174.700 0.003 0.000 0.949 48 T CA -0.100 62.004 62.100 0.006 0.000 1.074 48 T CB -0.187 68.684 68.868 0.004 0.000 0.910 48 T HN 0.181 nan 8.240 nan 0.000 0.501 49 I N 2.961 123.532 120.570 0.001 0.000 2.321 49 I HA 0.468 4.637 4.170 -0.001 0.000 0.291 49 I C 0.555 176.670 176.117 -0.003 0.000 0.998 49 I CA -0.368 60.932 61.300 -0.001 0.000 1.227 49 I CB 1.608 39.608 38.000 -0.000 0.000 1.368 49 I HN 0.504 nan 8.210 nan 0.000 0.466 50 T N 4.475 119.027 114.554 -0.004 0.000 2.900 50 T HA 0.392 4.742 4.350 -0.001 0.000 0.303 50 T C 0.029 174.725 174.700 -0.006 0.000 1.142 50 T CA -0.631 61.465 62.100 -0.006 0.000 1.007 50 T CB 1.573 70.436 68.868 -0.008 0.000 1.156 50 T HN 0.645 nan 8.240 nan 0.000 0.490 51 K N 1.434 121.829 120.400 -0.008 0.000 2.414 51 K HA 0.191 4.510 4.320 -0.001 0.000 0.204 51 K C -0.529 176.066 176.600 -0.009 0.000 1.026 51 K CA -0.308 55.975 56.287 -0.007 0.000 1.108 51 K CB 0.483 32.979 32.500 -0.007 0.000 0.855 51 K HN 0.408 nan 8.250 nan 0.000 0.517 52 D N 0.414 120.807 120.400 -0.011 0.000 2.380 52 D HA 0.093 4.733 4.640 -0.001 0.000 0.230 52 D C 1.143 177.436 176.300 -0.012 0.000 1.154 52 D CA -0.142 53.850 54.000 -0.014 0.000 0.859 52 D CB 1.302 42.090 40.800 -0.019 0.000 1.045 52 D HN 0.206 nan 8.370 nan 0.000 0.495 53 G N 2.557 111.351 108.800 -0.010 0.000 2.462 53 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.220 53 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.220 53 G C 1.493 176.386 174.900 -0.011 0.000 1.121 53 G CA 0.652 45.748 45.100 -0.008 0.000 0.758 53 G HN 0.483 nan 8.290 nan 0.000 0.559 54 V N 0.945 120.850 119.914 -0.015 0.000 2.379 54 V HA -0.157 3.962 4.120 -0.001 0.000 0.245 54 V C 3.069 179.151 176.094 -0.020 0.000 1.044 54 V CA 2.123 64.412 62.300 -0.019 0.000 1.036 54 V CB -0.488 31.321 31.823 -0.023 0.000 0.664 54 V HN 0.365 nan 8.190 nan 0.000 0.453 55 S N 0.088 115.776 115.700 -0.019 0.000 2.370 55 S HA -0.176 4.294 4.470 -0.001 0.000 0.226 55 S C 2.022 176.612 174.600 -0.016 0.000 1.033 55 S CA 1.568 59.757 58.200 -0.019 0.000 1.011 55 S CB -0.269 62.920 63.200 -0.017 0.000 0.852 55 S HN 0.390 nan 8.310 nan 0.000 0.457 56 V N 2.091 121.997 119.914 -0.013 0.000 2.295 56 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 56 V C 2.700 178.787 176.094 -0.011 0.000 1.049 56 V CA 1.680 63.974 62.300 -0.010 0.000 1.024 56 V CB -1.326 30.493 31.823 -0.006 0.000 0.648 56 V HN 0.543 nan 8.190 nan 0.000 0.447 57 A N -0.143 122.669 122.820 -0.013 0.000 1.908 57 A HA -0.294 4.026 4.320 -0.001 0.000 0.218 57 A C 2.359 179.931 177.584 -0.019 0.000 1.181 57 A CA 2.213 54.242 52.037 -0.014 0.000 0.627 57 A CB -0.612 18.379 19.000 -0.015 0.000 0.818 57 A HN 0.485 nan 8.150 nan 0.000 0.445 58 R N -0.539 119.947 120.500 -0.023 0.000 2.103 58 R HA -0.156 4.184 4.340 -0.001 0.000 0.242 58 R C 1.951 178.235 176.300 -0.028 0.000 1.142 58 R CA 1.667 57.749 56.100 -0.031 0.000 0.960 58 R CB -0.166 30.113 30.300 -0.036 0.000 0.858 58 R HN 0.538 nan 8.270 nan 0.000 0.439 59 E N 0.142 120.330 120.200 -0.020 0.000 2.216 59 E HA -0.054 4.296 4.350 -0.001 0.000 0.192 59 E C 0.377 176.970 176.600 -0.012 0.000 0.988 59 E CA 0.339 56.730 56.400 -0.015 0.000 0.834 59 E CB 0.103 29.797 29.700 -0.010 0.000 0.772 59 E HN 0.217 nan 8.360 nan 0.000 0.479 60 I N 2.489 123.053 120.570 -0.011 0.000 2.578 60 I HA 0.045 4.215 4.170 -0.001 0.000 0.286 60 I C 0.433 176.545 176.117 -0.009 0.000 1.126 60 I CA 0.521 61.817 61.300 -0.007 0.000 1.380 60 I CB -0.428 37.569 38.000 -0.005 0.000 1.408 60 I HN -0.016 nan 8.210 nan 0.000 0.532 61 E N 7.081 127.277 120.200 -0.007 0.000 2.304 61 E HA 0.534 4.883 4.350 -0.001 0.000 0.277 61 E C -1.698 174.900 176.600 -0.004 0.000 0.898 61 E CA -0.628 55.767 56.400 -0.008 0.000 0.764 61 E CB 2.109 31.802 29.700 -0.010 0.000 1.216 61 E HN 0.431 nan 8.360 nan 0.000 0.419 62 L N 3.300 124.521 121.223 -0.004 0.000 2.330 62 L HA 0.387 4.726 4.340 -0.001 0.000 0.271 62 L C 1.411 178.280 176.870 -0.002 0.000 1.013 62 L CA -0.472 54.368 54.840 0.002 0.000 0.816 62 L CB 1.698 43.763 42.059 0.009 0.000 1.287 62 L HN 0.747 nan 8.230 nan 0.000 0.435 63 E N 0.764 120.966 120.200 0.004 0.000 2.046 63 E HA -0.164 4.185 4.350 -0.001 0.000 0.190 63 E C 0.507 177.109 176.600 0.004 0.000 0.982 63 E CA 0.533 56.934 56.400 0.002 0.000 0.800 63 E CB 0.257 29.960 29.700 0.007 0.000 0.756 63 E HN 0.644 nan 8.360 nan 0.000 0.449 64 D N 0.787 121.200 120.400 0.023 0.000 2.412 64 D HA -0.059 4.580 4.640 -0.001 0.000 0.257 64 D C 0.493 176.805 176.300 0.020 0.000 1.217 64 D CA 0.240 54.269 54.000 0.048 0.000 0.897 64 D CB 0.895 41.745 40.800 0.083 0.000 1.132 64 D HN 0.128 nan 8.370 nan 0.000 0.493 65 K N 3.125 123.495 120.400 -0.049 0.000 2.148 65 K HA -0.131 4.189 4.320 -0.001 0.000 0.204 65 K C 1.720 178.183 176.600 -0.228 0.000 1.050 65 K CA 0.971 57.148 56.287 -0.183 0.000 0.942 65 K CB 0.053 32.365 32.500 -0.313 0.000 0.724 65 K HN 0.456 nan 8.250 nan 0.000 0.446 66 F N 1.668 121.608 119.950 -0.017 0.000 2.128 66 F HA -0.065 4.461 4.527 -0.001 0.000 0.295 66 F C 2.290 178.082 175.800 -0.014 0.000 1.100 66 F CA 1.030 59.017 58.000 -0.021 0.000 1.260 66 F CB -0.356 38.630 39.000 -0.024 0.000 1.009 66 F HN 0.023 nan 8.300 nan 0.000 0.476 67 E N 0.105 120.412 120.200 0.178 0.000 2.085 67 E HA -0.275 4.074 4.350 -0.001 0.000 0.194 67 E C 1.832 178.463 176.600 0.051 0.000 0.994 67 E CA 1.472 57.928 56.400 0.094 0.000 0.801 67 E CB -0.410 29.333 29.700 0.072 0.000 0.743 67 E HN 0.328 nan 8.360 nan 0.000 0.453 68 N N 0.633 119.349 118.700 0.026 0.000 2.120 68 N HA -0.165 4.574 4.740 -0.001 0.000 0.188 68 N C 1.789 177.297 175.510 -0.004 0.000 1.024 68 N CA 1.295 54.345 53.050 -0.000 0.000 0.852 68 N CB -0.024 38.449 38.487 -0.023 0.000 1.003 68 N HN 0.058 nan 8.380 nan 0.000 0.424 69 M N -0.438 119.157 119.600 -0.009 0.000 2.082 69 M HA -0.107 4.372 4.480 -0.001 0.000 0.258 69 M C 2.207 178.517 176.300 0.017 0.000 1.069 69 M CA 1.909 57.206 55.300 -0.005 0.000 1.102 69 M CB -0.820 31.777 32.600 -0.006 0.000 1.336 69 M HN 0.359 nan 8.290 nan 0.000 0.404 70 G N -0.157 108.665 108.800 0.037 0.000 2.529 70 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.219 70 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.219 70 G C 1.578 176.491 174.900 0.022 0.000 1.177 70 G CA 1.363 46.484 45.100 0.035 0.000 0.773 70 G HN 0.581 nan 8.290 nan 0.000 0.573 71 A N -0.217 122.613 122.820 0.017 0.000 1.877 71 A HA -0.062 4.257 4.320 -0.001 0.000 0.216 71 A C 2.403 179.989 177.584 0.003 0.000 1.186 71 A CA 2.039 54.082 52.037 0.010 0.000 0.620 71 A CB -0.398 18.606 19.000 0.007 0.000 0.822 71 A HN 0.331 nan 8.150 nan 0.000 0.443 72 Q N -0.748 119.051 119.800 -0.001 0.000 2.226 72 Q HA -0.071 4.268 4.340 -0.001 0.000 0.204 72 Q C 2.046 178.044 176.000 -0.003 0.000 0.975 72 Q CA 1.201 57.000 55.803 -0.007 0.000 0.866 72 Q CB -0.492 28.238 28.738 -0.012 0.000 0.915 72 Q HN 0.769 nan 8.270 nan 0.000 0.440 73 M N -0.374 119.229 119.600 0.005 0.000 2.077 73 M HA -0.127 4.353 4.480 -0.001 0.000 0.261 73 M C 2.253 178.560 176.300 0.012 0.000 1.070 73 M CA 1.358 56.664 55.300 0.011 0.000 1.125 73 M CB -0.298 32.313 32.600 0.018 0.000 1.339 73 M HN 0.156 nan 8.290 nan 0.000 0.409 74 V N -0.263 119.660 119.914 0.014 0.000 2.548 74 V HA -0.216 3.903 4.120 -0.001 0.000 0.249 74 V C 2.013 178.108 176.094 0.002 0.000 1.055 74 V CA 1.813 64.122 62.300 0.016 0.000 1.065 74 V CB -0.527 31.308 31.823 0.021 0.000 0.681 74 V HN 0.432 nan 8.190 nan 0.000 0.462 75 K N -0.485 119.912 120.400 -0.005 0.000 2.032 75 K HA -0.184 4.135 4.320 -0.001 0.000 0.209 75 K C 2.261 178.843 176.600 -0.030 0.000 1.048 75 K CA 2.008 58.286 56.287 -0.016 0.000 0.927 75 K CB -0.093 32.398 32.500 -0.015 0.000 0.712 75 K HN 0.501 nan 8.250 nan 0.000 0.441 76 E N -0.034 120.150 120.200 -0.027 0.000 2.107 76 E HA -0.131 4.218 4.350 -0.001 0.000 0.191 76 E C 2.067 178.622 176.600 -0.075 0.000 0.982 76 E CA 1.309 57.685 56.400 -0.041 0.000 0.809 76 E CB -0.188 29.498 29.700 -0.023 0.000 0.756 76 E HN 0.326 nan 8.360 nan 0.000 0.459 77 V N -0.808 119.074 119.914 -0.054 0.000 2.591 77 V HA 0.088 4.208 4.120 -0.001 0.000 0.249 77 V C 2.224 178.206 176.094 -0.186 0.000 1.053 77 V CA 1.531 63.776 62.300 -0.092 0.000 1.068 77 V CB -0.503 31.360 31.823 0.065 0.000 0.689 77 V HN 0.112 nan 8.190 nan 0.000 0.462 78 A N 1.778 124.548 122.820 -0.084 0.000 1.933 78 A HA -0.147 4.172 4.320 -0.001 0.000 0.218 78 A C 2.591 180.102 177.584 -0.123 0.000 1.175 78 A CA 2.452 54.447 52.037 -0.069 0.000 0.628 78 A CB -1.066 17.922 19.000 -0.020 0.000 0.814 78 A HN 1.009 nan 8.150 nan 0.000 0.444 79 S N -0.147 115.479 115.700 -0.124 0.000 2.423 79 S HA -0.128 4.341 4.470 -0.001 0.000 0.231 79 S C 1.761 176.251 174.600 -0.183 0.000 1.014 79 S CA 1.266 59.398 58.200 -0.114 0.000 0.965 79 S CB -0.324 62.830 63.200 -0.076 0.000 0.785 79 S HN 0.576 nan 8.310 nan 0.000 0.495 80 K N 1.474 121.669 120.400 -0.341 0.000 2.148 80 K HA 0.076 4.396 4.320 -0.001 0.000 0.204 80 K C 2.524 178.810 176.600 -0.523 0.000 1.050 80 K CA 1.055 57.031 56.287 -0.518 0.000 0.942 80 K CB -0.571 31.411 32.500 -0.864 0.000 0.724 80 K HN 0.525 nan 8.250 nan 0.000 0.446 81 A N 1.895 124.431 122.820 -0.474 0.000 1.883 81 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 81 A C 1.937 179.511 177.584 -0.016 0.000 1.186 81 A CA 1.996 53.984 52.037 -0.083 0.000 0.624 81 A CB -0.743 18.286 19.000 0.049 0.000 0.822 81 A HN 0.338 nan 8.150 nan 0.000 0.444 82 N N -0.272 118.403 118.700 -0.042 0.000 2.166 82 N HA -0.132 4.607 4.740 -0.001 0.000 0.186 82 N C 1.174 176.697 175.510 0.021 0.000 1.019 82 N CA 1.393 54.443 53.050 -0.000 0.000 0.856 82 N CB -0.109 38.370 38.487 -0.013 0.000 0.993 82 N HN 0.421 nan 8.380 nan 0.000 0.426 83 D N -0.151 120.237 120.400 -0.020 0.000 2.117 83 D HA -0.105 4.535 4.640 -0.001 0.000 0.197 83 D C 1.684 177.991 176.300 0.012 0.000 0.987 83 D CA 1.140 55.136 54.000 -0.007 0.000 0.829 83 D CB -0.286 40.483 40.800 -0.052 0.000 0.961 83 D HN 0.374 nan 8.370 nan 0.000 0.460 84 A N 0.269 123.102 122.820 0.022 0.000 1.970 84 A HA 0.260 4.579 4.320 -0.001 0.000 0.216 84 A C 2.013 179.630 177.584 0.054 0.000 1.170 84 A CA 1.631 53.700 52.037 0.053 0.000 0.645 84 A CB 0.078 19.152 19.000 0.125 0.000 0.816 84 A HN 0.233 nan 8.150 nan 0.000 0.447 85 A N -3.028 119.834 122.820 0.071 0.000 2.390 85 A HA 0.471 4.790 4.320 -0.001 0.000 0.225 85 A C 1.636 179.288 177.584 0.114 0.000 1.232 85 A CA 1.030 53.113 52.037 0.077 0.000 0.964 85 A CB -0.144 18.902 19.000 0.077 0.000 1.064 85 A HN 1.803 nan 8.150 nan 0.000 0.525 86 G N -0.782 108.112 108.800 0.158 0.000 2.159 86 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.256 86 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.256 86 G C -0.193 174.746 174.900 0.065 0.000 0.977 86 G CA 0.626 45.860 45.100 0.223 0.000 0.652 86 G HN 0.872 nan 8.290 nan 0.000 0.531 87 D N -2.781 117.651 120.400 0.053 0.000 2.742 87 D HA 0.575 5.215 4.640 -0.001 0.000 0.262 87 D C 0.799 177.120 176.300 0.034 0.000 1.240 87 D CA 1.357 55.374 54.000 0.028 0.000 0.752 87 D CB 0.498 41.313 40.800 0.026 0.000 1.290 87 D HN 1.348 nan 8.370 nan 0.000 0.420 88 G N 0.058 108.874 108.800 0.026 0.000 2.211 88 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.201 88 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.201 88 G C 1.143 176.060 174.900 0.027 0.000 0.997 88 G CA 0.739 45.860 45.100 0.035 0.000 0.652 88 G HN 0.557 nan 8.290 nan 0.000 0.500 89 T N 1.188 115.748 114.554 0.010 0.000 2.684 89 T HA -0.117 4.232 4.350 -0.001 0.000 0.267 89 T C 2.571 177.274 174.700 0.006 0.000 1.036 89 T CA 2.594 64.692 62.100 -0.003 0.000 1.148 89 T CB -0.401 68.457 68.868 -0.017 0.000 0.863 89 T HN 0.458 nan 8.240 nan 0.000 0.436 90 T N 1.514 116.072 114.554 0.007 0.000 2.708 90 T HA -0.101 4.249 4.350 -0.001 0.000 0.266 90 T C 2.266 176.976 174.700 0.018 0.000 1.037 90 T CA 1.666 63.771 62.100 0.010 0.000 1.146 90 T CB -0.699 68.173 68.868 0.007 0.000 0.865 90 T HN 0.416 nan 8.240 nan 0.000 0.435 91 T N 2.241 116.808 114.554 0.023 0.000 2.684 91 T HA -0.088 4.262 4.350 -0.001 0.000 0.267 91 T C 2.415 177.136 174.700 0.036 0.000 1.036 91 T CA 1.269 63.387 62.100 0.030 0.000 1.148 91 T CB -0.656 68.233 68.868 0.034 0.000 0.863 91 T HN 0.436 nan 8.240 nan 0.000 0.436 92 A N 1.384 124.229 122.820 0.043 0.000 1.940 92 A HA -0.160 4.159 4.320 -0.001 0.000 0.219 92 A C 2.559 180.169 177.584 0.043 0.000 1.176 92 A CA 2.197 54.267 52.037 0.056 0.000 0.631 92 A CB -1.280 17.762 19.000 0.071 0.000 0.814 92 A HN 0.511 nan 8.150 nan 0.000 0.446 93 T N -0.321 114.250 114.554 0.029 0.000 2.737 93 T HA -0.119 4.231 4.350 -0.001 0.000 0.265 93 T C 2.001 176.715 174.700 0.023 0.000 1.038 93 T CA 1.855 63.969 62.100 0.022 0.000 1.144 93 T CB -0.756 68.120 68.868 0.013 0.000 0.866 93 T HN 0.697 nan 8.240 nan 0.000 0.434 94 V N 0.517 120.445 119.914 0.022 0.000 2.515 94 V HA 0.004 4.124 4.120 -0.001 0.000 0.250 94 V C 2.170 178.277 176.094 0.023 0.000 1.058 94 V CA 1.301 63.613 62.300 0.021 0.000 1.064 94 V CB -0.990 30.844 31.823 0.019 0.000 0.675 94 V HN 0.439 nan 8.190 nan 0.000 0.461 95 L N 0.678 121.918 121.223 0.027 0.000 2.027 95 L HA -0.010 4.329 4.340 -0.001 0.000 0.206 95 L C 3.095 179.981 176.870 0.028 0.000 1.074 95 L CA 1.774 56.631 54.840 0.028 0.000 0.745 95 L CB -0.967 41.112 42.059 0.034 0.000 0.898 95 L HN 0.427 nan 8.230 nan 0.000 0.433 96 A N -0.477 122.363 122.820 0.033 0.000 1.892 96 A HA -0.332 3.987 4.320 -0.001 0.000 0.218 96 A C 2.258 179.857 177.584 0.025 0.000 1.188 96 A CA 2.183 54.239 52.037 0.032 0.000 0.631 96 A CB -0.749 18.273 19.000 0.036 0.000 0.822 96 A HN 0.530 nan 8.150 nan 0.000 0.447 97 Q N -0.664 119.149 119.800 0.022 0.000 2.096 97 Q HA -0.166 4.174 4.340 -0.001 0.000 0.204 97 Q C 2.192 178.202 176.000 0.017 0.000 0.982 97 Q CA 1.800 57.614 55.803 0.019 0.000 0.850 97 Q CB -0.352 28.396 28.738 0.017 0.000 0.901 97 Q HN 0.620 nan 8.270 nan 0.000 0.422 98 A N 0.625 123.455 122.820 0.017 0.000 1.898 98 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 98 A C 1.968 179.561 177.584 0.014 0.000 1.181 98 A CA 1.333 53.379 52.037 0.015 0.000 0.620 98 A CB -0.581 18.428 19.000 0.015 0.000 0.819 98 A HN 0.473 nan 8.150 nan 0.000 0.442 99 I N -0.433 120.147 120.570 0.017 0.000 2.163 99 I HA -0.236 3.934 4.170 -0.001 0.000 0.240 99 I C 2.314 178.440 176.117 0.015 0.000 1.081 99 I CA 1.332 62.641 61.300 0.016 0.000 1.353 99 I CB -0.432 37.579 38.000 0.018 0.000 1.054 99 I HN 0.264 nan 8.210 nan 0.000 0.407 100 I N 0.523 121.103 120.570 0.017 0.000 2.163 100 I HA -0.300 3.870 4.170 -0.001 0.000 0.243 100 I C 2.624 178.750 176.117 0.014 0.000 1.085 100 I CA 1.711 63.021 61.300 0.017 0.000 1.347 100 I CB -0.712 37.300 38.000 0.019 0.000 1.044 100 I HN 0.247 nan 8.210 nan 0.000 0.408 101 T N 0.224 114.787 114.554 0.014 0.000 2.635 101 T HA -0.192 4.158 4.350 -0.001 0.000 0.267 101 T C 1.837 176.543 174.700 0.010 0.000 1.040 101 T CA 1.470 63.577 62.100 0.011 0.000 1.156 101 T CB -0.204 68.671 68.868 0.011 0.000 0.863 101 T HN 0.322 nan 8.240 nan 0.000 0.430 102 E N 0.499 120.705 120.200 0.010 0.000 2.072 102 E HA 0.013 4.363 4.350 -0.001 0.000 0.190 102 E C 2.609 179.214 176.600 0.008 0.000 0.982 102 E CA 0.959 57.364 56.400 0.008 0.000 0.803 102 E CB -0.812 28.893 29.700 0.008 0.000 0.755 102 E HN 0.556 nan 8.360 nan 0.000 0.453 103 G N 1.771 110.577 108.800 0.010 0.000 2.446 103 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.217 103 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.217 103 G C 1.728 176.634 174.900 0.010 0.000 1.168 103 G CA 0.657 45.763 45.100 0.010 0.000 0.771 103 G HN 0.166 nan 8.290 nan 0.000 0.551 104 L N -0.228 121.002 121.223 0.010 0.000 2.093 104 L HA -0.024 4.316 4.340 -0.001 0.000 0.208 104 L C 2.941 179.816 176.870 0.008 0.000 1.085 104 L CA 1.108 55.953 54.840 0.010 0.000 0.755 104 L CB -0.355 41.711 42.059 0.010 0.000 0.904 104 L HN 0.212 nan 8.230 nan 0.000 0.435 105 K N 0.270 120.674 120.400 0.007 0.000 2.103 105 K HA -0.163 4.156 4.320 -0.001 0.000 0.207 105 K C 2.231 178.834 176.600 0.005 0.000 1.048 105 K CA 1.459 57.749 56.287 0.006 0.000 0.930 105 K CB -0.210 32.293 32.500 0.005 0.000 0.716 105 K HN 0.287 nan 8.250 nan 0.000 0.444 106 A N 0.723 123.546 122.820 0.006 0.000 1.930 106 A HA -0.094 4.226 4.320 -0.001 0.000 0.217 106 A C 2.307 179.894 177.584 0.006 0.000 1.175 106 A CA 1.190 53.230 52.037 0.005 0.000 0.627 106 A CB -0.477 18.526 19.000 0.006 0.000 0.815 106 A HN 0.068 nan 8.150 nan 0.000 0.443 107 V N -0.084 119.834 119.914 0.007 0.000 2.343 107 V HA -0.237 3.883 4.120 -0.001 0.000 0.247 107 V C 3.021 179.119 176.094 0.007 0.000 1.051 107 V CA 1.874 64.179 62.300 0.008 0.000 1.036 107 V CB -1.164 30.665 31.823 0.011 0.000 0.654 107 V HN 0.594 nan 8.190 nan 0.000 0.451 108 A N -0.063 122.760 122.820 0.006 0.000 2.019 108 A HA -0.035 4.285 4.320 -0.001 0.000 0.219 108 A C 2.323 179.909 177.584 0.003 0.000 1.164 108 A CA 1.735 53.775 52.037 0.004 0.000 0.644 108 A CB -0.575 18.427 19.000 0.004 0.000 0.805 108 A HN 0.574 nan 8.150 nan 0.000 0.449 109 A N -1.798 121.024 122.820 0.003 0.000 2.119 109 A HA 0.365 4.685 4.320 -0.001 0.000 0.217 109 A C 1.801 179.386 177.584 0.002 0.000 1.153 109 A CA 1.469 53.507 52.037 0.002 0.000 0.692 109 A CB -0.733 18.268 19.000 0.002 0.000 0.799 109 A HN 1.870 nan 8.150 nan 0.000 0.458 110 G N -2.078 106.724 108.800 0.003 0.000 2.138 110 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.193 110 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.193 110 G C 0.055 174.957 174.900 0.004 0.000 0.998 110 G CA 0.071 45.172 45.100 0.003 0.000 0.668 110 G HN 0.337 nan 8.290 nan 0.000 0.516 111 M N 0.681 120.284 119.600 0.004 0.000 2.255 111 M HA 0.273 4.753 4.480 -0.001 0.000 0.336 111 M C 0.670 176.974 176.300 0.006 0.000 1.135 111 M CA -0.599 54.704 55.300 0.004 0.000 1.145 111 M CB 0.582 33.185 32.600 0.004 0.000 1.473 111 M HN 0.144 nan 8.290 nan 0.000 0.462 112 N N 2.795 121.499 118.700 0.006 0.000 2.452 112 N HA 0.086 4.825 4.740 -0.001 0.000 0.266 112 N C -2.063 173.452 175.510 0.008 0.000 1.175 112 N CA -1.164 51.890 53.050 0.007 0.000 0.945 112 N CB 1.140 39.630 38.487 0.006 0.000 1.063 112 N HN 0.302 nan 8.380 nan 0.000 0.472 113 P HA -0.094 nan 4.420 nan 0.000 0.217 113 P C 1.604 178.911 177.300 0.011 0.000 1.150 113 P CA 1.145 64.252 63.100 0.012 0.000 0.832 113 P CB 0.255 31.964 31.700 0.015 0.000 0.787 114 M N -0.782 118.824 119.600 0.011 0.000 2.175 114 M HA -0.110 4.369 4.480 -0.001 0.000 0.264 114 M C 1.466 177.771 176.300 0.007 0.000 1.063 114 M CA 1.595 56.901 55.300 0.010 0.000 1.119 114 M CB -1.620 30.986 32.600 0.010 0.000 1.377 114 M HN -0.030 nan 8.290 nan 0.000 0.415 115 D N 0.478 120.882 120.400 0.007 0.000 2.117 115 D HA -0.053 4.586 4.640 -0.001 0.000 0.198 115 D C 2.301 178.604 176.300 0.005 0.000 0.982 115 D CA 0.963 54.966 54.000 0.005 0.000 0.828 115 D CB -0.152 40.651 40.800 0.004 0.000 0.967 115 D HN 0.309 nan 8.370 nan 0.000 0.464 116 L N 0.732 121.959 121.223 0.006 0.000 2.042 116 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 116 L C 2.532 179.405 176.870 0.006 0.000 1.076 116 L CA 1.183 56.026 54.840 0.006 0.000 0.749 116 L CB -0.316 41.748 42.059 0.008 0.000 0.893 116 L HN -0.024 nan 8.230 nan 0.000 0.432 117 K N 0.229 120.633 120.400 0.007 0.000 2.057 117 K HA -0.221 4.098 4.320 -0.001 0.000 0.207 117 K C 2.353 178.956 176.600 0.004 0.000 1.049 117 K CA 1.349 57.640 56.287 0.007 0.000 0.931 117 K CB -0.008 32.498 32.500 0.009 0.000 0.714 117 K HN 0.087 nan 8.250 nan 0.000 0.440 118 R N -0.343 120.159 120.500 0.004 0.000 2.120 118 R HA -0.087 4.252 4.340 -0.001 0.000 0.234 118 R C 2.227 178.527 176.300 0.001 0.000 1.123 118 R CA 1.518 57.619 56.100 0.002 0.000 0.975 118 R CB -0.361 29.941 30.300 0.002 0.000 0.866 118 R HN 0.375 nan 8.270 nan 0.000 0.446 119 G N 0.712 109.513 108.800 0.002 0.000 2.404 119 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.215 119 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.215 119 G C 1.401 176.302 174.900 0.001 0.000 1.174 119 G CA 0.749 45.850 45.100 0.001 0.000 0.780 119 G HN 0.232 nan 8.290 nan 0.000 0.537 120 I N 1.177 121.748 120.570 0.002 0.000 2.163 120 I HA -0.183 3.986 4.170 -0.001 0.000 0.243 120 I C 2.353 178.469 176.117 -0.001 0.000 1.085 120 I CA 1.428 62.729 61.300 0.002 0.000 1.347 120 I CB -0.162 37.841 38.000 0.005 0.000 1.044 120 I HN 0.058 nan 8.210 nan 0.000 0.408 121 D N 0.611 121.010 120.400 -0.002 0.000 2.117 121 D HA -0.218 4.422 4.640 -0.001 0.000 0.197 121 D C 2.070 178.365 176.300 -0.008 0.000 0.987 121 D CA 1.211 55.207 54.000 -0.007 0.000 0.829 121 D CB -0.261 40.534 40.800 -0.007 0.000 0.961 121 D HN 0.288 nan 8.370 nan 0.000 0.460 122 K N 0.705 121.102 120.400 -0.005 0.000 2.057 122 K HA -0.116 4.204 4.320 -0.001 0.000 0.207 122 K C 2.025 178.622 176.600 -0.004 0.000 1.049 122 K CA 1.372 57.656 56.287 -0.005 0.000 0.931 122 K CB -0.070 32.429 32.500 -0.003 0.000 0.714 122 K HN 0.028 nan 8.250 nan 0.000 0.440 123 A N 0.521 123.339 122.820 -0.003 0.000 1.902 123 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 123 A C 2.239 179.821 177.584 -0.003 0.000 1.181 123 A CA 1.728 53.764 52.037 -0.002 0.000 0.623 123 A CB -0.634 18.366 19.000 0.000 0.000 0.818 123 A HN 0.189 nan 8.150 nan 0.000 0.443 124 V N -0.273 119.638 119.914 -0.006 0.000 2.358 124 V HA -0.211 3.909 4.120 -0.001 0.000 0.246 124 V C 2.755 178.841 176.094 -0.014 0.000 1.047 124 V CA 2.417 64.711 62.300 -0.010 0.000 1.035 124 V CB -1.244 30.570 31.823 -0.015 0.000 0.658 124 V HN 0.625 nan 8.190 nan 0.000 0.452 125 T N 0.698 115.244 114.554 -0.014 0.000 2.684 125 T HA -0.230 4.120 4.350 -0.001 0.000 0.267 125 T C 2.065 176.759 174.700 -0.009 0.000 1.036 125 T CA 1.793 63.884 62.100 -0.015 0.000 1.148 125 T CB -0.516 68.345 68.868 -0.013 0.000 0.863 125 T HN 0.571 nan 8.240 nan 0.000 0.436 126 A N 1.412 124.228 122.820 -0.006 0.000 1.933 126 A HA 0.145 4.464 4.320 -0.001 0.000 0.218 126 A C 2.651 180.234 177.584 -0.002 0.000 1.175 126 A CA 1.876 53.911 52.037 -0.003 0.000 0.628 126 A CB -1.091 17.908 19.000 -0.002 0.000 0.814 126 A HN 0.527 nan 8.150 nan 0.000 0.444 127 A N -0.656 122.163 122.820 -0.002 0.000 1.898 127 A HA 0.029 4.348 4.320 -0.001 0.000 0.216 127 A C 2.214 179.798 177.584 0.001 0.000 1.181 127 A CA 1.674 53.712 52.037 0.001 0.000 0.620 127 A CB -0.878 18.123 19.000 0.002 0.000 0.819 127 A HN 0.375 nan 8.150 nan 0.000 0.442 128 V N 0.365 120.276 119.914 -0.005 0.000 2.343 128 V HA -0.212 3.908 4.120 -0.001 0.000 0.247 128 V C 2.570 178.662 176.094 -0.002 0.000 1.051 128 V CA 2.123 64.419 62.300 -0.006 0.000 1.036 128 V CB -0.686 31.127 31.823 -0.016 0.000 0.654 128 V HN 0.502 nan 8.190 nan 0.000 0.451 129 E N -0.118 120.080 120.200 -0.002 0.000 2.077 129 E HA -0.233 4.116 4.350 -0.001 0.000 0.193 129 E C 2.208 178.811 176.600 0.004 0.000 0.989 129 E CA 1.217 57.617 56.400 0.000 0.000 0.800 129 E CB -0.210 29.490 29.700 -0.000 0.000 0.746 129 E HN 0.596 nan 8.360 nan 0.000 0.452 130 E N 0.252 120.455 120.200 0.005 0.000 2.150 130 E HA -0.097 4.252 4.350 -0.001 0.000 0.193 130 E C 1.840 178.447 176.600 0.011 0.000 0.985 130 E CA 0.256 56.661 56.400 0.008 0.000 0.814 130 E CB -0.083 29.622 29.700 0.008 0.000 0.752 130 E HN 0.042 nan 8.360 nan 0.000 0.466 131 L N 0.809 122.039 121.223 0.011 0.000 2.046 131 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 131 L C 1.949 178.827 176.870 0.014 0.000 1.077 131 L CA 1.721 56.569 54.840 0.014 0.000 0.747 131 L CB -0.857 41.210 42.059 0.013 0.000 0.896 131 L HN 0.133 nan 8.230 nan 0.000 0.432 132 K N -0.713 119.693 120.400 0.010 0.000 2.063 132 K HA -0.157 4.163 4.320 -0.001 0.000 0.208 132 K C 2.022 178.629 176.600 0.011 0.000 1.048 132 K CA 1.511 57.804 56.287 0.010 0.000 0.928 132 K CB -0.150 32.354 32.500 0.006 0.000 0.713 132 K HN 0.307 nan 8.250 nan 0.000 0.442 133 A N 1.251 124.078 122.820 0.012 0.000 1.968 133 A HA -0.069 4.250 4.320 -0.001 0.000 0.217 133 A C 1.945 179.539 177.584 0.017 0.000 1.169 133 A CA 0.736 52.781 52.037 0.013 0.000 0.638 133 A CB -0.317 18.690 19.000 0.012 0.000 0.812 133 A HN 0.215 nan 8.150 nan 0.000 0.446 134 L N -0.235 121.000 121.223 0.019 0.000 2.395 134 L HA 0.058 4.397 4.340 -0.001 0.000 0.218 134 L C 1.022 177.907 176.870 0.025 0.000 1.130 134 L CA 0.756 55.611 54.840 0.025 0.000 0.826 134 L CB -0.600 41.476 42.059 0.027 0.000 0.941 134 L HN 0.361 nan 8.230 nan 0.000 0.451 135 S N -0.479 115.234 115.700 0.021 0.000 2.564 135 S HA 0.233 4.703 4.470 -0.001 0.000 0.278 135 S C -0.218 174.393 174.600 0.018 0.000 1.333 135 S CA -0.423 57.789 58.200 0.020 0.000 1.048 135 S CB 1.019 64.229 63.200 0.017 0.000 0.900 135 S HN 0.051 nan 8.310 nan 0.000 0.505 136 V N 7.767 127.692 119.914 0.018 0.000 2.417 136 V HA 0.417 4.536 4.120 -0.001 0.000 0.291 136 V C -2.117 173.984 176.094 0.013 0.000 1.024 136 V CA -1.840 60.469 62.300 0.016 0.000 0.861 136 V CB 1.396 33.228 31.823 0.016 0.000 0.985 136 V HN 0.753 nan 8.190 nan 0.000 0.436 137 P HA 0.251 nan 4.420 nan 0.000 0.274 137 P C -0.732 176.573 177.300 0.008 0.000 1.246 137 P CA -0.467 62.639 63.100 0.010 0.000 0.795 137 P CB 0.525 32.230 31.700 0.008 0.000 1.006 138 C N 1.764 121.069 119.300 0.007 0.000 2.621 138 C HA 0.264 4.723 4.460 -0.001 0.000 0.272 138 C C 1.627 176.620 174.990 0.005 0.000 1.119 138 C CA 0.191 59.212 59.018 0.006 0.000 1.593 138 C CB -1.121 26.623 27.740 0.007 0.000 1.749 138 C HN 0.558 nan 8.230 nan 0.000 0.420 139 S N 1.627 117.330 115.700 0.004 0.000 2.303 139 S HA -0.013 4.457 4.470 -0.001 0.000 0.207 139 S C 0.575 175.176 174.600 0.002 0.000 1.025 139 S CA 0.554 58.756 58.200 0.003 0.000 0.953 139 S CB -0.259 62.943 63.200 0.003 0.000 0.932 139 S HN 0.899 nan 8.310 nan 0.000 0.472 140 D N 1.470 121.872 120.400 0.002 0.000 2.371 140 D HA 0.205 4.844 4.640 -0.001 0.000 0.242 140 D C 0.942 177.242 176.300 0.001 0.000 1.218 140 D CA 0.168 54.169 54.000 0.001 0.000 0.945 140 D CB 0.310 41.111 40.800 0.001 0.000 1.137 140 D HN 0.235 nan 8.370 nan 0.000 0.464 141 S N -0.906 114.795 115.700 0.000 0.000 2.522 141 S HA -0.153 4.316 4.470 -0.001 0.000 0.227 141 S C 1.563 176.163 174.600 0.000 0.000 0.986 141 S CA 0.586 58.786 58.200 0.000 0.000 0.929 141 S CB -0.401 62.799 63.200 -0.000 0.000 0.769 141 S HN 0.593 nan 8.310 nan 0.000 0.529 142 K N 2.008 122.408 120.400 0.000 0.000 2.025 142 K HA 0.060 4.380 4.320 -0.001 0.000 0.207 142 K C 2.269 178.869 176.600 -0.000 0.000 1.049 142 K CA 1.180 57.467 56.287 -0.000 0.000 0.933 142 K CB -0.673 31.827 32.500 -0.000 0.000 0.714 142 K HN 0.368 nan 8.250 nan 0.000 0.438 143 A N 1.117 123.937 122.820 0.001 0.000 1.930 143 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 143 A C 2.104 179.689 177.584 0.002 0.000 1.175 143 A CA 1.406 53.444 52.037 0.001 0.000 0.627 143 A CB -0.582 18.420 19.000 0.003 0.000 0.815 143 A HN 0.375 nan 8.150 nan 0.000 0.443 144 I N -0.184 120.387 120.570 0.002 0.000 2.208 144 I HA -0.310 3.860 4.170 -0.001 0.000 0.245 144 I C 2.971 179.089 176.117 0.003 0.000 1.097 144 I CA 1.133 62.435 61.300 0.003 0.000 1.363 144 I CB -0.288 37.713 38.000 0.002 0.000 1.051 144 I HN 0.361 nan 8.210 nan 0.000 0.413 145 A N -0.045 122.776 122.820 0.001 0.000 1.902 145 A HA -0.274 4.046 4.320 -0.001 0.000 0.217 145 A C 2.251 179.835 177.584 -0.000 0.000 1.181 145 A CA 1.658 53.695 52.037 0.000 0.000 0.623 145 A CB -0.655 18.345 19.000 -0.001 0.000 0.818 145 A HN 0.451 nan 8.150 nan 0.000 0.443 146 Q N -0.606 119.193 119.800 -0.001 0.000 2.096 146 Q HA -0.128 4.212 4.340 -0.001 0.000 0.204 146 Q C 2.136 178.135 176.000 -0.002 0.000 0.982 146 Q CA 1.777 57.578 55.803 -0.003 0.000 0.850 146 Q CB -0.319 28.417 28.738 -0.003 0.000 0.901 146 Q HN 0.505 nan 8.270 nan 0.000 0.422 147 V N -0.043 119.872 119.914 0.001 0.000 2.307 147 V HA -0.198 3.921 4.120 -0.001 0.000 0.245 147 V C 2.177 178.274 176.094 0.006 0.000 1.045 147 V CA 1.942 64.244 62.300 0.004 0.000 1.024 147 V CB -1.149 30.679 31.823 0.008 0.000 0.651 147 V HN 0.548 nan 8.190 nan 0.000 0.449 148 G N -0.333 108.470 108.800 0.006 0.000 2.418 148 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.217 148 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.217 148 G C 1.692 176.594 174.900 0.002 0.000 1.158 148 G CA 1.600 46.705 45.100 0.007 0.000 0.771 148 G HN 0.470 nan 8.290 nan 0.000 0.545 149 T N 1.372 115.925 114.554 -0.001 0.000 2.684 149 T HA -0.086 4.263 4.350 -0.001 0.000 0.267 149 T C 2.388 177.084 174.700 -0.007 0.000 1.036 149 T CA 1.148 63.245 62.100 -0.005 0.000 1.148 149 T CB -0.189 68.675 68.868 -0.006 0.000 0.863 149 T HN 0.241 nan 8.240 nan 0.000 0.436 150 I N 1.310 121.876 120.570 -0.007 0.000 2.226 150 I HA -0.139 4.031 4.170 -0.001 0.000 0.245 150 I C 2.171 178.283 176.117 -0.008 0.000 1.100 150 I CA 1.008 62.303 61.300 -0.009 0.000 1.374 150 I CB -0.248 37.747 38.000 -0.009 0.000 1.057 150 I HN 0.146 nan 8.210 nan 0.000 0.413 151 S N 0.470 116.168 115.700 -0.003 0.000 2.660 151 S HA 0.207 4.677 4.470 -0.001 0.000 0.223 151 S C 1.072 175.668 174.600 -0.007 0.000 0.963 151 S CA 0.627 58.826 58.200 -0.002 0.000 0.932 151 S CB 0.021 63.225 63.200 0.006 0.000 0.775 151 S HN 0.482 nan 8.310 nan 0.000 0.531 152 A N 1.619 124.434 122.820 -0.008 0.000 2.663 152 A HA 0.429 4.749 4.320 -0.001 0.000 0.273 152 A C 0.102 177.679 177.584 -0.012 0.000 0.932 152 A CA -0.746 51.285 52.037 -0.010 0.000 1.055 152 A CB -0.091 18.905 19.000 -0.007 0.000 1.206 152 A HN 0.215 nan 8.150 nan 0.000 0.485 153 N N 0.286 118.977 118.700 -0.014 0.000 2.738 153 N HA -0.179 4.560 4.740 -0.001 0.000 0.249 153 N C 0.375 175.875 175.510 -0.016 0.000 1.047 153 N CA 1.270 54.310 53.050 -0.016 0.000 0.707 153 N CB -2.141 36.337 38.487 -0.016 0.000 0.937 153 N HN 0.780 nan 8.380 nan 0.000 0.545 154 S N -2.484 113.207 115.700 -0.015 0.000 3.476 154 S HA -0.231 4.239 4.470 -0.001 0.000 0.309 154 S C -0.085 174.508 174.600 -0.012 0.000 1.222 154 S CA 1.049 59.240 58.200 -0.015 0.000 0.922 154 S CB -0.765 62.425 63.200 -0.018 0.000 1.023 154 S HN 0.712 nan 8.310 nan 0.000 0.591 155 D N 1.377 121.771 120.400 -0.011 0.000 2.374 155 D HA 0.268 4.907 4.640 -0.001 0.000 0.240 155 D C 1.019 177.315 176.300 -0.007 0.000 1.229 155 D CA -0.129 53.865 54.000 -0.009 0.000 0.895 155 D CB 0.492 41.287 40.800 -0.008 0.000 1.046 155 D HN 0.466 nan 8.370 nan 0.000 0.498 156 E N 1.188 121.384 120.200 -0.007 0.000 2.268 156 E HA -0.106 4.243 4.350 -0.001 0.000 0.195 156 E C 1.440 178.037 176.600 -0.005 0.000 0.995 156 E CA 0.897 57.293 56.400 -0.006 0.000 0.836 156 E CB 0.328 30.024 29.700 -0.007 0.000 0.763 156 E HN 0.515 nan 8.360 nan 0.000 0.491 157 T N 0.394 114.945 114.554 -0.005 0.000 2.746 157 T HA -0.133 4.217 4.350 -0.001 0.000 0.267 157 T C 2.085 176.784 174.700 -0.003 0.000 1.039 157 T CA 1.050 63.147 62.100 -0.004 0.000 1.142 157 T CB -0.188 68.678 68.868 -0.004 0.000 0.866 157 T HN 0.005 nan 8.240 nan 0.000 0.444 158 V N 1.560 121.473 119.914 -0.003 0.000 2.358 158 V HA -0.040 4.080 4.120 -0.001 0.000 0.246 158 V C 2.936 179.031 176.094 0.001 0.000 1.047 158 V CA 1.860 64.160 62.300 -0.001 0.000 1.035 158 V CB -1.448 30.374 31.823 -0.001 0.000 0.658 158 V HN 0.587 nan 8.190 nan 0.000 0.452 159 G N -0.354 108.446 108.800 -0.000 0.000 2.418 159 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.217 159 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.217 159 G C 1.648 176.548 174.900 0.000 0.000 1.158 159 G CA 1.133 46.234 45.100 0.001 0.000 0.771 159 G HN 0.478 nan 8.290 nan 0.000 0.545 160 K N -0.170 120.230 120.400 -0.001 0.000 2.032 160 K HA 0.026 4.346 4.320 -0.001 0.000 0.209 160 K C 2.546 179.145 176.600 -0.001 0.000 1.048 160 K CA 0.918 57.204 56.287 -0.001 0.000 0.927 160 K CB -0.280 32.219 32.500 -0.002 0.000 0.712 160 K HN 0.326 nan 8.250 nan 0.000 0.441 161 L N 0.762 121.985 121.223 -0.000 0.000 2.012 161 L HA -0.224 4.116 4.340 -0.001 0.000 0.210 161 L C 2.378 179.249 176.870 0.001 0.000 1.073 161 L CA 1.351 56.191 54.840 0.000 0.000 0.748 161 L CB -0.293 41.766 42.059 0.001 0.000 0.891 161 L HN 0.252 nan 8.230 nan 0.000 0.431 162 I N -0.646 119.926 120.570 0.003 0.000 2.226 162 I HA -0.289 3.880 4.170 -0.001 0.000 0.245 162 I C 2.737 178.856 176.117 0.002 0.000 1.100 162 I CA 1.148 62.450 61.300 0.005 0.000 1.374 162 I CB -0.478 37.527 38.000 0.008 0.000 1.057 162 I HN 0.217 nan 8.210 nan 0.000 0.413 163 A N 0.457 123.278 122.820 0.001 0.000 1.902 163 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 163 A C 2.213 179.797 177.584 -0.001 0.000 1.181 163 A CA 1.822 53.859 52.037 0.000 0.000 0.623 163 A CB -0.594 18.406 19.000 0.000 0.000 0.818 163 A HN 0.448 nan 8.150 nan 0.000 0.443 164 E N -0.402 119.797 120.200 -0.001 0.000 2.106 164 E HA -0.045 4.304 4.350 -0.001 0.000 0.192 164 E C 2.291 178.890 176.600 -0.002 0.000 0.984 164 E CA 0.826 57.225 56.400 -0.002 0.000 0.806 164 E CB -0.248 29.451 29.700 -0.002 0.000 0.750 164 E HN 0.629 nan 8.360 nan 0.000 0.458 165 A N 1.087 123.906 122.820 -0.002 0.000 1.873 165 A HA -0.161 4.159 4.320 -0.001 0.000 0.215 165 A C 2.153 179.734 177.584 -0.004 0.000 1.186 165 A CA 1.215 53.251 52.037 -0.003 0.000 0.616 165 A CB -0.386 18.613 19.000 -0.002 0.000 0.823 165 A HN 0.129 nan 8.150 nan 0.000 0.442 166 M N -0.950 118.648 119.600 -0.003 0.000 2.279 166 M HA -0.148 4.331 4.480 -0.001 0.000 0.264 166 M C 1.615 177.912 176.300 -0.004 0.000 1.062 166 M CA 1.722 57.020 55.300 -0.004 0.000 1.099 166 M CB -0.541 32.057 32.600 -0.003 0.000 1.394 166 M HN 0.428 nan 8.290 nan 0.000 0.426 167 D N 0.547 120.945 120.400 -0.003 0.000 2.219 167 D HA -0.093 4.547 4.640 -0.001 0.000 0.205 167 D C 1.908 178.206 176.300 -0.004 0.000 0.970 167 D CA 1.057 55.056 54.000 -0.003 0.000 0.851 167 D CB 0.250 41.048 40.800 -0.003 0.000 0.943 167 D HN 0.195 nan 8.370 nan 0.000 0.488 168 K N -0.640 119.758 120.400 -0.004 0.000 2.137 168 K HA -0.004 4.315 4.320 -0.001 0.000 0.202 168 K C 1.605 178.202 176.600 -0.005 0.000 1.052 168 K CA 1.075 57.359 56.287 -0.004 0.000 0.961 168 K CB 0.569 33.067 32.500 -0.005 0.000 0.741 168 K HN 0.179 nan 8.250 nan 0.000 0.452 169 V N -3.526 116.384 119.914 -0.006 0.000 3.477 169 V HA 0.393 4.513 4.120 -0.001 0.000 0.297 169 V C 0.507 176.597 176.094 -0.007 0.000 1.433 169 V CA 0.053 62.349 62.300 -0.007 0.000 1.052 169 V CB -0.029 31.790 31.823 -0.008 0.000 0.895 169 V HN 0.340 nan 8.190 nan 0.000 0.438 170 G N 1.576 110.373 108.800 -0.006 0.000 2.728 170 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.294 170 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.294 170 G C 0.233 175.129 174.900 -0.007 0.000 1.342 170 G CA 0.050 45.146 45.100 -0.006 0.000 0.866 170 G HN 0.211 nan 8.290 nan 0.000 0.534 171 K N 0.287 120.683 120.400 -0.006 0.000 2.057 171 K HA -0.024 4.296 4.320 -0.001 0.000 0.206 171 K C 2.226 178.820 176.600 -0.010 0.000 1.050 171 K CA 1.928 58.211 56.287 -0.007 0.000 0.935 171 K CB -0.232 32.264 32.500 -0.005 0.000 0.715 171 K HN 0.650 nan 8.250 nan 0.000 0.439 172 E N 0.914 121.108 120.200 -0.010 0.000 2.208 172 E HA -0.035 4.315 4.350 -0.001 0.000 0.193 172 E C 1.211 177.803 176.600 -0.014 0.000 0.988 172 E CA 0.257 56.650 56.400 -0.011 0.000 0.828 172 E CB -0.415 29.279 29.700 -0.009 0.000 0.763 172 E HN 0.252 nan 8.360 nan 0.000 0.478 173 G N 1.579 110.372 108.800 -0.012 0.000 2.647 173 G HA2 0.128 4.087 3.960 -0.001 0.000 0.234 173 G HA3 0.128 4.087 3.960 -0.001 0.000 0.234 173 G C 0.113 175.002 174.900 -0.018 0.000 1.252 173 G CA -0.387 44.705 45.100 -0.013 0.000 0.846 173 G HN -0.022 nan 8.290 nan 0.000 0.589 174 V N 2.041 121.944 119.914 -0.018 0.000 2.432 174 V HA 0.381 4.500 4.120 -0.001 0.000 0.275 174 V C 0.368 176.449 176.094 -0.022 0.000 1.043 174 V CA -0.126 62.158 62.300 -0.025 0.000 0.925 174 V CB 0.887 32.696 31.823 -0.025 0.000 0.985 174 V HN 0.493 nan 8.190 nan 0.000 0.466 175 I N 3.764 124.319 120.570 -0.026 0.000 2.465 175 I HA 0.514 4.683 4.170 -0.001 0.000 0.291 175 I C 0.020 176.127 176.117 -0.017 0.000 1.014 175 I CA -0.154 61.135 61.300 -0.018 0.000 1.093 175 I CB 2.318 40.310 38.000 -0.013 0.000 1.267 175 I HN 0.495 nan 8.210 nan 0.000 0.431 176 T N 4.929 119.477 114.554 -0.011 0.000 2.887 176 T HA 0.604 4.953 4.350 -0.001 0.000 0.288 176 T C -0.558 174.142 174.700 -0.000 0.000 1.021 176 T CA -0.504 61.591 62.100 -0.008 0.000 1.000 176 T CB 2.211 71.071 68.868 -0.013 0.000 1.034 176 T HN 0.201 nan 8.240 nan 0.000 0.467 177 V N 2.937 122.855 119.914 0.006 0.000 2.495 177 V HA 0.554 4.673 4.120 -0.001 0.000 0.298 177 V C -0.071 176.025 176.094 0.003 0.000 1.031 177 V CA -0.746 61.559 62.300 0.008 0.000 0.871 177 V CB 1.685 33.518 31.823 0.017 0.000 0.988 177 V HN 0.844 nan 8.190 nan 0.000 0.432 178 E N 1.428 121.628 120.200 -0.000 0.000 2.359 178 E HA 0.404 4.753 4.350 -0.001 0.000 0.266 178 E C -1.442 175.156 176.600 -0.004 0.000 0.920 178 E CA -1.054 55.344 56.400 -0.003 0.000 0.788 178 E CB 1.932 31.628 29.700 -0.007 0.000 1.279 178 E HN 0.648 nan 8.360 nan 0.000 0.438 179 D N 0.670 121.067 120.400 -0.005 0.000 2.443 179 D HA 0.172 4.811 4.640 -0.001 0.000 0.239 179 D C 0.126 176.423 176.300 -0.006 0.000 1.136 179 D CA 0.469 54.466 54.000 -0.005 0.000 0.879 179 D CB 0.759 41.556 40.800 -0.006 0.000 1.195 179 D HN 0.463 nan 8.370 nan 0.000 0.443 180 G N -0.306 108.491 108.800 -0.005 0.000 2.562 180 G HA2 0.358 4.318 3.960 -0.001 0.000 0.275 180 G HA3 0.358 4.318 3.960 -0.001 0.000 0.275 180 G C 0.866 175.763 174.900 -0.006 0.000 1.196 180 G CA -0.187 44.910 45.100 -0.005 0.000 0.908 180 G HN 0.485 nan 8.290 nan 0.000 0.524 181 T N -3.290 111.261 114.554 -0.005 0.000 3.001 181 T HA 0.512 4.861 4.350 -0.001 0.000 0.251 181 T C 1.006 175.703 174.700 -0.005 0.000 1.040 181 T CA 0.792 62.889 62.100 -0.005 0.000 0.985 181 T CB 0.467 69.332 68.868 -0.006 0.000 1.011 181 T HN 1.169 nan 8.240 nan 0.000 0.509 182 G N 0.886 109.684 108.800 -0.005 0.000 2.694 182 G HA2 0.449 4.408 3.960 -0.001 0.000 0.246 182 G HA3 0.449 4.408 3.960 -0.001 0.000 0.246 182 G C -0.149 174.748 174.900 -0.004 0.000 1.205 182 G CA -0.106 44.992 45.100 -0.004 0.000 0.891 182 G HN 0.139 nan 8.290 nan 0.000 0.515 183 L N 0.438 121.659 121.223 -0.004 0.000 2.095 183 L HA 0.319 4.658 4.340 -0.001 0.000 0.204 183 L C 1.441 178.309 176.870 -0.004 0.000 1.080 183 L CA 1.760 56.598 54.840 -0.004 0.000 0.759 183 L CB -0.565 41.492 42.059 -0.004 0.000 0.914 183 L HN 0.666 nan 8.230 nan 0.000 0.439 184 Q N -0.132 119.666 119.800 -0.004 0.000 2.226 184 Q HA 0.273 4.613 4.340 -0.001 0.000 0.256 184 Q C -1.000 174.997 176.000 -0.004 0.000 0.962 184 Q CA -0.933 54.867 55.803 -0.004 0.000 0.887 184 Q CB 1.040 29.776 28.738 -0.004 0.000 1.282 184 Q HN 0.157 nan 8.270 nan 0.000 0.449 185 D N 1.364 121.762 120.400 -0.004 0.000 2.361 185 D HA 0.142 4.782 4.640 -0.001 0.000 0.239 185 D C -0.468 175.830 176.300 -0.004 0.000 1.200 185 D CA 0.307 54.305 54.000 -0.003 0.000 0.915 185 D CB 0.836 41.634 40.800 -0.003 0.000 1.170 185 D HN 0.474 nan 8.370 nan 0.000 0.444 186 E N -0.335 119.863 120.200 -0.004 0.000 2.340 186 E HA 0.515 4.865 4.350 -0.001 0.000 0.273 186 E C -1.235 175.362 176.600 -0.004 0.000 0.891 186 E CA -0.868 55.530 56.400 -0.004 0.000 0.757 186 E CB 2.524 32.221 29.700 -0.005 0.000 1.231 186 E HN 0.070 nan 8.360 nan 0.000 0.439 187 L N 2.472 123.693 121.223 -0.004 0.000 2.439 187 L HA 0.507 4.847 4.340 -0.001 0.000 0.270 187 L C -1.834 175.033 176.870 -0.005 0.000 0.972 187 L CA -0.157 54.681 54.840 -0.004 0.000 0.836 187 L CB 1.518 43.574 42.059 -0.004 0.000 1.255 187 L HN 0.419 nan 8.230 nan 0.000 0.404 188 D N 3.658 124.055 120.400 -0.006 0.000 2.819 188 D HA 0.480 5.119 4.640 -0.001 0.000 0.232 188 D C -1.178 175.118 176.300 -0.007 0.000 1.160 188 D CA -0.189 53.807 54.000 -0.006 0.000 0.858 188 D CB 3.084 43.880 40.800 -0.007 0.000 1.610 188 D HN 0.256 nan 8.370 nan 0.000 0.481 189 V N 1.896 121.807 119.914 -0.006 0.000 2.350 189 V HA 0.424 4.544 4.120 -0.001 0.000 0.276 189 V C 0.472 176.562 176.094 -0.007 0.000 1.028 189 V CA -0.638 61.658 62.300 -0.007 0.000 0.860 189 V CB 1.212 33.032 31.823 -0.006 0.000 0.990 189 V HN 0.410 nan 8.190 nan 0.000 0.453 190 V N 1.569 121.479 119.914 -0.007 0.000 3.046 190 V HA 0.678 4.797 4.120 -0.001 0.000 0.316 190 V C -0.121 175.969 176.094 -0.006 0.000 1.104 190 V CA -1.074 61.222 62.300 -0.008 0.000 1.006 190 V CB 2.063 33.880 31.823 -0.010 0.000 1.058 190 V HN 0.689 nan 8.190 nan 0.000 0.440 191 E N 1.754 121.951 120.200 -0.005 0.000 2.406 191 E HA 0.504 4.853 4.350 -0.001 0.000 0.258 191 E C 0.277 176.877 176.600 0.000 0.000 1.043 191 E CA 0.897 57.296 56.400 -0.002 0.000 0.929 191 E CB 0.639 30.338 29.700 -0.002 0.000 0.969 191 E HN 1.170 nan 8.360 nan 0.000 0.462 192 G N 1.558 110.361 108.800 0.005 0.000 2.606 192 G HA2 0.619 4.578 3.960 -0.001 0.000 0.300 192 G HA3 0.619 4.578 3.960 -0.001 0.000 0.300 192 G C -1.278 173.635 174.900 0.023 0.000 1.360 192 G CA -0.706 44.400 45.100 0.011 0.000 0.783 192 G HN 0.402 nan 8.290 nan 0.000 0.484 193 M N -0.095 119.526 119.600 0.034 0.000 2.490 193 M HA 0.556 5.035 4.480 -0.001 0.000 0.286 193 M C -2.287 174.045 176.300 0.052 0.000 1.185 193 M CA -0.618 54.721 55.300 0.064 0.000 0.912 193 M CB 2.448 35.116 32.600 0.114 0.000 1.744 193 M HN 0.659 nan 8.290 nan 0.000 0.494 194 Q N 3.797 123.628 119.800 0.052 0.000 2.285 194 Q HA 0.644 4.983 4.340 -0.001 0.000 0.269 194 Q C -2.164 173.870 176.000 0.056 0.000 1.030 194 Q CA -0.622 55.158 55.803 -0.038 0.000 0.788 194 Q CB 1.937 30.634 28.738 -0.069 0.000 1.266 194 Q HN 0.615 nan 8.270 nan 0.000 0.438 195 F N -0.122 119.818 119.950 -0.015 0.000 2.593 195 F HA 0.549 5.076 4.527 -0.001 0.000 0.320 195 F C -0.650 175.142 175.800 -0.013 0.000 1.060 195 F CA -1.234 56.758 58.000 -0.013 0.000 0.940 195 F CB 1.078 40.073 39.000 -0.009 0.000 1.268 195 F HN 0.350 nan 8.300 nan 0.000 0.475 196 D N 1.929 122.442 120.400 0.188 0.000 2.845 196 D HA 0.245 4.885 4.640 -0.001 0.000 0.235 196 D C -0.554 175.806 176.300 0.100 0.000 1.158 196 D CA -0.011 54.034 54.000 0.074 0.000 0.990 196 D CB -0.046 40.794 40.800 0.067 0.000 1.094 196 D HN 0.207 nan 8.370 nan 0.000 0.486 197 R N 0.754 121.295 120.500 0.069 0.000 2.538 197 R HA 0.587 4.926 4.340 -0.001 0.000 0.292 197 R C 0.313 176.586 176.300 -0.044 0.000 1.008 197 R CA -0.728 55.422 56.100 0.083 0.000 0.896 197 R CB 1.910 32.377 30.300 0.278 0.000 1.187 197 R HN 0.286 nan 8.270 nan 0.000 0.440 198 G N 1.220 109.970 108.800 -0.083 0.000 2.568 198 G HA2 0.387 4.347 3.960 -0.001 0.000 0.293 198 G HA3 0.387 4.347 3.960 -0.001 0.000 0.293 198 G C -0.614 174.226 174.900 -0.099 0.000 1.347 198 G CA -0.485 44.488 45.100 -0.211 0.000 1.039 198 G HN 0.460 nan 8.290 nan 0.000 0.523 199 Y N -1.389 118.959 120.300 0.081 0.000 2.480 199 Y HA 0.385 4.934 4.550 -0.001 0.000 0.338 199 Y C 1.087 177.105 175.900 0.197 0.000 1.220 199 Y CA -1.148 57.048 58.100 0.160 0.000 1.430 199 Y CB 0.502 39.104 38.460 0.236 0.000 1.311 199 Y HN 0.165 nan 8.280 nan 0.000 0.575 200 L N 1.733 123.262 121.223 0.511 0.000 2.599 200 L HA 0.147 4.487 4.340 -0.001 0.000 0.230 200 L C 0.570 177.683 176.870 0.405 0.000 1.141 200 L CA 0.678 55.760 54.840 0.403 0.000 0.877 200 L CB -0.066 42.193 42.059 0.333 0.000 1.009 200 L HN 0.769 nan 8.230 nan 0.000 0.447 201 S N -1.840 114.136 115.700 0.460 0.000 2.562 201 S HA 0.337 4.807 4.470 -0.001 0.000 0.274 201 S C -2.257 172.221 174.600 -0.202 0.000 1.160 201 S CA -0.916 57.321 58.200 0.062 0.000 0.933 201 S CB 1.606 64.615 63.200 -0.319 0.000 1.100 201 S HN -0.257 nan 8.310 nan 0.000 0.468 202 P HA -0.063 nan 4.420 nan 0.000 0.218 202 P C 0.493 177.417 177.300 -0.627 0.000 1.146 202 P CA 1.136 63.840 63.100 -0.660 0.000 0.813 202 P CB -0.100 31.340 31.700 -0.434 0.000 0.778 203 Y N -2.713 117.311 120.300 -0.461 0.000 2.639 203 Y HA -0.062 4.488 4.550 -0.001 0.000 0.297 203 Y C 1.637 177.306 175.900 -0.384 0.000 1.151 203 Y CA 0.667 58.521 58.100 -0.411 0.000 1.335 203 Y CB -1.028 37.182 38.460 -0.417 0.000 0.994 203 Y HN -0.055 nan 8.280 nan 0.000 0.548 204 F N -0.599 119.296 119.950 -0.091 0.000 2.615 204 F HA 0.083 4.609 4.527 -0.001 0.000 0.297 204 F C 0.979 176.713 175.800 -0.111 0.000 1.124 204 F CA -0.580 57.378 58.000 -0.070 0.000 1.451 204 F CB -0.605 38.376 39.000 -0.031 0.000 1.103 204 F HN -0.171 nan 8.300 nan 0.000 0.569 205 I N 3.123 123.641 120.570 -0.087 0.000 2.752 205 I HA -0.144 4.025 4.170 -0.001 0.000 0.286 205 I C 1.008 177.108 176.117 -0.027 0.000 1.180 205 I CA 0.235 61.482 61.300 -0.088 0.000 1.404 205 I CB 0.197 38.081 38.000 -0.193 0.000 1.389 205 I HN 0.203 nan 8.210 nan 0.000 0.549 206 N N 6.399 125.104 118.700 0.008 0.000 2.205 206 N HA 0.033 4.773 4.740 -0.001 0.000 0.201 206 N C -0.082 175.426 175.510 -0.002 0.000 1.128 206 N CA -0.059 52.996 53.050 0.008 0.000 0.867 206 N CB 0.498 39.000 38.487 0.025 0.000 0.996 206 N HN 0.481 nan 8.380 nan 0.000 0.503 207 K N 0.964 121.361 120.400 -0.004 0.000 2.701 207 K HA 0.297 4.616 4.320 -0.001 0.000 0.212 207 K C -2.163 174.430 176.600 -0.012 0.000 1.035 207 K CA -1.638 54.645 56.287 -0.006 0.000 1.048 207 K CB 2.454 34.957 32.500 0.004 0.000 1.234 207 K HN -0.182 nan 8.250 nan 0.000 0.540 208 P HA -0.251 nan 4.420 nan 0.000 0.215 208 P C 0.786 178.071 177.300 -0.025 0.000 1.157 208 P CA 1.435 64.514 63.100 -0.034 0.000 0.874 208 P CB 0.322 31.999 31.700 -0.038 0.000 0.790 209 E N -0.412 119.774 120.200 -0.022 0.000 2.209 209 E HA -0.158 4.192 4.350 -0.001 0.000 0.196 209 E C 1.387 177.972 176.600 -0.024 0.000 0.993 209 E CA 2.036 58.421 56.400 -0.024 0.000 0.819 209 E CB -2.096 27.589 29.700 -0.025 0.000 0.745 209 E HN 0.343 nan 8.360 nan 0.000 0.477 210 T N -3.633 110.914 114.554 -0.011 0.000 3.069 210 T HA 0.387 4.737 4.350 -0.001 0.000 0.252 210 T C 1.417 176.136 174.700 0.033 0.000 1.053 210 T CA -0.102 61.998 62.100 0.001 0.000 0.964 210 T CB 0.092 68.968 68.868 0.014 0.000 1.005 210 T HN 0.434 nan 8.240 nan 0.000 0.532 211 G N 1.330 110.146 108.800 0.027 0.000 2.338 211 G HA2 0.120 4.079 3.960 -0.001 0.000 0.296 211 G HA3 0.120 4.079 3.960 -0.001 0.000 0.296 211 G C 0.079 175.054 174.900 0.125 0.000 1.040 211 G CA -0.010 45.123 45.100 0.055 0.000 1.004 211 G HN 1.248 nan 8.290 nan 0.000 0.509 212 A N -1.001 121.874 122.820 0.091 0.000 2.498 212 A HA 0.876 5.195 4.320 -0.001 0.000 0.298 212 A C -0.089 177.549 177.584 0.090 0.000 1.075 212 A CA -0.288 51.827 52.037 0.130 0.000 0.714 212 A CB 1.979 21.035 19.000 0.093 0.000 1.299 212 A HN 1.271 nan 8.150 nan 0.000 0.407 213 V N 1.134 121.127 119.914 0.131 0.000 2.607 213 V HA 0.530 4.650 4.120 -0.001 0.000 0.289 213 V C 0.254 176.383 176.094 0.058 0.000 1.053 213 V CA -0.167 62.189 62.300 0.094 0.000 0.996 213 V CB 1.195 33.097 31.823 0.131 0.000 0.995 213 V HN 0.924 nan 8.190 nan 0.000 0.476 214 E N 4.067 124.289 120.200 0.037 0.000 2.274 214 E HA 0.597 4.947 4.350 -0.001 0.000 0.269 214 E C -1.879 174.727 176.600 0.011 0.000 0.891 214 E CA -0.585 55.826 56.400 0.018 0.000 0.784 214 E CB 1.594 31.303 29.700 0.015 0.000 1.225 214 E HN 0.654 nan 8.360 nan 0.000 0.412 215 L N 3.857 125.081 121.223 0.000 0.000 2.362 215 L HA 0.523 4.862 4.340 -0.001 0.000 0.271 215 L C -0.473 176.387 176.870 -0.017 0.000 1.002 215 L CA -0.902 53.935 54.840 -0.005 0.000 0.818 215 L CB 1.943 43.998 42.059 -0.006 0.000 1.298 215 L HN 0.548 nan 8.230 nan 0.000 0.420 216 E N 0.779 120.967 120.200 -0.020 0.000 2.187 216 E HA 0.421 4.770 4.350 -0.001 0.000 0.268 216 E C -0.506 176.061 176.600 -0.053 0.000 0.896 216 E CA -0.921 55.459 56.400 -0.033 0.000 0.766 216 E CB 1.758 31.444 29.700 -0.023 0.000 1.142 216 E HN 0.490 nan 8.360 nan 0.000 0.408 217 S N 1.812 117.461 115.700 -0.084 0.000 3.631 217 S HA -0.114 4.355 4.470 -0.001 0.000 0.366 217 S C -2.131 172.341 174.600 -0.214 0.000 0.993 217 S CA 0.637 58.746 58.200 -0.151 0.000 1.167 217 S CB -1.443 61.676 63.200 -0.136 0.000 0.909 217 S HN 0.619 nan 8.310 nan 0.000 0.478 218 P HA 0.488 nan 4.420 nan 0.000 0.281 218 P C -0.133 177.038 177.300 -0.215 0.000 1.249 218 P CA -0.545 62.485 63.100 -0.116 0.000 0.810 218 P CB 0.444 32.123 31.700 -0.035 0.000 1.008 219 F N 1.173 121.122 119.950 -0.003 0.000 2.396 219 F HA 0.391 4.918 4.527 -0.001 0.000 0.343 219 F C 0.898 176.697 175.800 -0.001 0.000 1.104 219 F CA -0.160 57.839 58.000 -0.001 0.000 1.161 219 F CB 0.573 39.572 39.000 -0.002 0.000 1.146 219 F HN 0.048 nan 8.300 nan 0.000 0.522 220 I N 4.353 125.029 120.570 0.177 0.000 2.433 220 I HA 0.306 4.475 4.170 -0.001 0.000 0.292 220 I C -1.172 175.001 176.117 0.094 0.000 1.001 220 I CA -0.944 60.418 61.300 0.104 0.000 1.119 220 I CB 1.870 39.913 38.000 0.072 0.000 1.289 220 I HN 0.307 nan 8.210 nan 0.000 0.438 221 L N 7.839 129.102 121.223 0.066 0.000 2.280 221 L HA 0.464 4.804 4.340 -0.001 0.000 0.287 221 L C -1.114 175.775 176.870 0.030 0.000 1.023 221 L CA -0.331 54.535 54.840 0.044 0.000 0.819 221 L CB 0.911 42.988 42.059 0.030 0.000 1.212 221 L HN 0.369 nan 8.230 nan 0.000 0.420 222 L N 6.112 127.348 121.223 0.021 0.000 2.287 222 L HA 0.648 4.988 4.340 -0.001 0.000 0.280 222 L C 0.161 177.032 176.870 0.001 0.000 1.055 222 L CA -0.305 54.538 54.840 0.005 0.000 0.863 222 L CB 0.178 42.235 42.059 -0.003 0.000 1.245 222 L HN 0.781 nan 8.230 nan 0.000 0.432 223 A N 2.392 125.213 122.820 0.001 0.000 2.342 223 A HA 0.583 4.903 4.320 -0.001 0.000 0.323 223 A C 0.683 178.266 177.584 -0.002 0.000 1.125 223 A CA -0.512 51.526 52.037 0.001 0.000 0.785 223 A CB 0.943 19.947 19.000 0.006 0.000 1.221 223 A HN 0.667 nan 8.150 nan 0.000 0.463 224 D N 1.622 122.020 120.400 -0.003 0.000 2.339 224 D HA 0.011 4.651 4.640 -0.001 0.000 0.217 224 D C 0.370 176.674 176.300 0.006 0.000 1.050 224 D CA 0.190 54.188 54.000 -0.003 0.000 0.856 224 D CB 0.068 40.864 40.800 -0.007 0.000 0.922 224 D HN 0.612 nan 8.370 nan 0.000 0.518 225 K N 0.076 120.481 120.400 0.009 0.000 2.132 225 K HA 0.380 4.700 4.320 -0.001 0.000 0.241 225 K C -0.200 176.411 176.600 0.018 0.000 1.000 225 K CA -0.919 55.376 56.287 0.013 0.000 0.911 225 K CB 1.417 33.924 32.500 0.011 0.000 1.093 225 K HN -0.338 nan 8.250 nan 0.000 0.460 226 K N 1.675 122.087 120.400 0.021 0.000 2.284 226 K HA 0.210 4.530 4.320 -0.001 0.000 0.287 226 K C -0.556 176.059 176.600 0.025 0.000 1.081 226 K CA -0.228 56.075 56.287 0.026 0.000 0.910 226 K CB 0.308 32.824 32.500 0.027 0.000 1.088 226 K HN 0.469 nan 8.250 nan 0.000 0.478 227 I N 2.830 123.417 120.570 0.028 0.000 2.436 227 I HA -0.076 4.094 4.170 -0.001 0.000 0.289 227 I C 0.825 176.961 176.117 0.032 0.000 1.083 227 I CA 0.418 61.734 61.300 0.028 0.000 1.372 227 I CB 0.947 38.964 38.000 0.029 0.000 1.408 227 I HN 0.674 nan 8.210 nan 0.000 0.516 228 S N 3.754 119.470 115.700 0.026 0.000 2.741 228 S HA 0.192 4.662 4.470 -0.001 0.000 0.245 228 S C 0.414 175.027 174.600 0.022 0.000 1.083 228 S CA -0.299 57.916 58.200 0.026 0.000 0.873 228 S CB 0.301 63.513 63.200 0.021 0.000 0.814 228 S HN 0.589 nan 8.310 nan 0.000 0.476 229 N N 1.529 120.240 118.700 0.018 0.000 2.430 229 N HA 0.383 5.123 4.740 -0.001 0.000 0.292 229 N C 0.115 175.635 175.510 0.016 0.000 1.051 229 N CA -0.386 52.672 53.050 0.015 0.000 0.917 229 N CB 1.866 40.360 38.487 0.011 0.000 1.164 229 N HN 0.014 nan 8.380 nan 0.000 0.484 230 I N 2.379 122.958 120.570 0.015 0.000 2.928 230 I HA -0.084 4.085 4.170 -0.001 0.000 0.266 230 I C 2.129 178.252 176.117 0.009 0.000 1.234 230 I CA 0.844 62.153 61.300 0.015 0.000 1.483 230 I CB -0.022 37.987 38.000 0.016 0.000 1.097 230 I HN 0.499 nan 8.210 nan 0.000 0.455 231 R N -0.197 120.307 120.500 0.007 0.000 2.236 231 R HA 0.003 4.342 4.340 -0.001 0.000 0.208 231 R C 1.694 177.996 176.300 0.002 0.000 1.036 231 R CA 1.080 57.182 56.100 0.003 0.000 1.001 231 R CB -0.778 29.524 30.300 0.003 0.000 0.896 231 R HN 0.342 nan 8.270 nan 0.000 0.464 232 E N 0.410 120.613 120.200 0.004 0.000 2.106 232 E HA -0.094 4.256 4.350 -0.001 0.000 0.192 232 E C 1.780 178.381 176.600 0.001 0.000 0.984 232 E CA 1.127 57.528 56.400 0.003 0.000 0.806 232 E CB 0.010 29.714 29.700 0.006 0.000 0.750 232 E HN 0.319 nan 8.360 nan 0.000 0.458 233 M N 0.338 119.940 119.600 0.003 0.000 2.156 233 M HA -0.082 4.397 4.480 -0.001 0.000 0.264 233 M C 2.386 178.682 176.300 -0.006 0.000 1.067 233 M CA 1.040 56.340 55.300 0.001 0.000 1.131 233 M CB -0.912 31.692 32.600 0.008 0.000 1.368 233 M HN 0.151 nan 8.290 nan 0.000 0.416 234 L N -0.063 121.157 121.223 -0.004 0.000 2.058 234 L HA -0.294 4.046 4.340 -0.001 0.000 0.226 234 L C -0.445 176.415 176.870 -0.016 0.000 1.089 234 L CA 2.105 56.941 54.840 -0.008 0.000 0.799 234 L CB -2.514 39.541 42.059 -0.006 0.000 0.900 234 L HN 0.188 nan 8.230 nan 0.000 0.442 235 P HA -0.135 nan 4.420 nan 0.000 0.218 235 P C 1.815 179.091 177.300 -0.039 0.000 1.148 235 P CA 1.137 64.221 63.100 -0.026 0.000 0.822 235 P CB 0.063 31.749 31.700 -0.022 0.000 0.784 236 V N -0.774 119.118 119.914 -0.037 0.000 2.346 236 V HA -0.165 3.955 4.120 -0.001 0.000 0.244 236 V C 2.412 178.471 176.094 -0.057 0.000 1.037 236 V CA 1.430 63.699 62.300 -0.052 0.000 1.029 236 V CB -1.172 30.629 31.823 -0.037 0.000 0.663 236 V HN 0.046 nan 8.190 nan 0.000 0.454 237 L N -0.303 120.899 121.223 -0.034 0.000 2.131 237 L HA -0.138 4.201 4.340 -0.001 0.000 0.210 237 L C 2.705 179.555 176.870 -0.033 0.000 1.092 237 L CA 1.301 56.125 54.840 -0.026 0.000 0.759 237 L CB -0.556 41.498 42.059 -0.008 0.000 0.903 237 L HN 0.366 nan 8.230 nan 0.000 0.435 238 E N 0.167 120.346 120.200 -0.035 0.000 2.106 238 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 238 E C 2.282 178.850 176.600 -0.054 0.000 0.984 238 E CA 1.320 57.699 56.400 -0.035 0.000 0.806 238 E CB -0.036 29.647 29.700 -0.029 0.000 0.750 238 E HN 0.480 nan 8.360 nan 0.000 0.458 239 A N 0.900 123.673 122.820 -0.078 0.000 1.968 239 A HA -0.055 4.265 4.320 -0.001 0.000 0.217 239 A C 2.510 179.993 177.584 -0.168 0.000 1.169 239 A CA 0.728 52.695 52.037 -0.117 0.000 0.638 239 A CB -0.324 18.595 19.000 -0.136 0.000 0.812 239 A HN 0.093 nan 8.150 nan 0.000 0.446 240 V N -0.219 119.599 119.914 -0.161 0.000 2.453 240 V HA -0.181 3.939 4.120 -0.001 0.000 0.247 240 V C 3.005 179.064 176.094 -0.058 0.000 1.048 240 V CA 1.705 63.911 62.300 -0.158 0.000 1.049 240 V CB -0.950 30.819 31.823 -0.090 0.000 0.672 240 V HN 0.581 nan 8.190 nan 0.000 0.457 241 A N 0.008 122.806 122.820 -0.037 0.000 1.972 241 A HA -0.253 4.066 4.320 -0.001 0.000 0.219 241 A C 2.219 179.795 177.584 -0.012 0.000 1.169 241 A CA 2.167 54.197 52.037 -0.012 0.000 0.635 241 A CB -0.426 18.569 19.000 -0.010 0.000 0.810 241 A HN 0.506 nan 8.150 nan 0.000 0.446 242 K N 0.081 120.462 120.400 -0.032 0.000 2.026 242 K HA -0.023 4.296 4.320 -0.001 0.000 0.208 242 K C 1.974 178.568 176.600 -0.011 0.000 1.048 242 K CA 1.589 57.861 56.287 -0.026 0.000 0.929 242 K CB -0.418 32.056 32.500 -0.043 0.000 0.713 242 K HN 0.322 nan 8.250 nan 0.000 0.439 243 A N -0.434 122.374 122.820 -0.019 0.000 1.968 243 A HA 0.144 4.464 4.320 -0.001 0.000 0.217 243 A C 1.648 179.281 177.584 0.081 0.000 1.169 243 A CA 1.235 53.298 52.037 0.043 0.000 0.638 243 A CB -0.795 18.243 19.000 0.063 0.000 0.812 243 A HN 0.607 nan 8.150 nan 0.000 0.446 244 G N -1.259 107.578 108.800 0.061 0.000 2.147 244 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.244 244 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.244 244 G C 0.051 175.007 174.900 0.092 0.000 1.005 244 G CA 0.580 45.717 45.100 0.062 0.000 0.713 244 G HN 0.448 nan 8.290 nan 0.000 0.515 245 K N 0.210 120.706 120.400 0.160 0.000 2.118 245 K HA 0.553 4.873 4.320 -0.001 0.000 0.254 245 K C -2.373 174.332 176.600 0.174 0.000 0.961 245 K CA -2.177 54.224 56.287 0.190 0.000 0.876 245 K CB 1.320 34.017 32.500 0.328 0.000 1.077 245 K HN 0.005 nan 8.250 nan 0.000 0.440 246 P HA 0.106 nan 4.420 nan 0.000 0.269 246 P C -0.781 176.592 177.300 0.121 0.000 1.215 246 P CA -0.450 62.700 63.100 0.084 0.000 0.780 246 P CB 0.424 32.148 31.700 0.040 0.000 0.898 247 L N 3.058 124.327 121.223 0.077 0.000 2.376 247 L HA 0.555 4.895 4.340 -0.001 0.000 0.275 247 L C -1.517 175.360 176.870 0.013 0.000 0.987 247 L CA -0.826 54.062 54.840 0.079 0.000 0.828 247 L CB 1.453 43.550 42.059 0.064 0.000 1.249 247 L HN 0.119 nan 8.230 nan 0.000 0.409 248 L N 6.315 127.552 121.223 0.024 0.000 2.282 248 L HA 0.629 4.968 4.340 -0.001 0.000 0.288 248 L C -0.963 175.911 176.870 0.006 0.000 1.033 248 L CA 0.061 54.895 54.840 -0.011 0.000 0.807 248 L CB 1.041 43.104 42.059 0.008 0.000 1.209 248 L HN 0.594 nan 8.230 nan 0.000 0.423 249 I N 6.534 127.089 120.570 -0.026 0.000 2.321 249 I HA 0.367 4.537 4.170 -0.001 0.000 0.291 249 I C -0.496 175.636 176.117 0.024 0.000 0.998 249 I CA -0.235 61.064 61.300 -0.002 0.000 1.227 249 I CB 1.170 39.159 38.000 -0.018 0.000 1.368 249 I HN 0.486 nan 8.210 nan 0.000 0.466 250 I N 6.460 127.055 120.570 0.043 0.000 2.390 250 I HA 0.661 4.831 4.170 -0.001 0.000 0.283 250 I C 0.081 176.212 176.117 0.022 0.000 1.016 250 I CA -0.165 61.168 61.300 0.055 0.000 1.151 250 I CB 1.211 39.254 38.000 0.070 0.000 1.293 250 I HN 0.648 nan 8.210 nan 0.000 0.458 251 A N 4.569 127.405 122.820 0.027 0.000 2.486 251 A HA 0.499 4.818 4.320 -0.001 0.000 0.289 251 A C 0.800 178.398 177.584 0.024 0.000 1.176 251 A CA -0.519 51.530 52.037 0.019 0.000 0.757 251 A CB 1.386 20.400 19.000 0.024 0.000 1.337 251 A HN 0.677 nan 8.150 nan 0.000 0.423 252 E N -0.496 119.717 120.200 0.022 0.000 2.114 252 E HA -0.186 4.163 4.350 -0.001 0.000 0.199 252 E C -0.439 176.187 176.600 0.044 0.000 1.008 252 E CA 1.855 58.273 56.400 0.031 0.000 0.810 252 E CB 0.146 29.864 29.700 0.030 0.000 0.739 252 E HN 0.557 nan 8.360 nan 0.000 0.456 253 D N -2.343 118.084 120.400 0.045 0.000 2.728 253 D HA 0.153 4.792 4.640 -0.001 0.000 0.249 253 D C -1.813 174.521 176.300 0.056 0.000 1.225 253 D CA -0.426 53.607 54.000 0.055 0.000 0.748 253 D CB 1.990 42.820 40.800 0.050 0.000 1.326 253 D HN -0.230 nan 8.370 nan 0.000 0.426 254 V N 2.422 122.379 119.914 0.073 0.000 2.380 254 V HA 0.431 4.551 4.120 -0.001 0.000 0.286 254 V C -0.177 175.968 176.094 0.085 0.000 1.015 254 V CA -0.605 61.742 62.300 0.078 0.000 0.834 254 V CB 1.466 33.345 31.823 0.094 0.000 1.009 254 V HN 0.368 nan 8.190 nan 0.000 0.428 255 E N 2.399 122.638 120.200 0.065 0.000 2.221 255 E HA 0.659 5.009 4.350 -0.001 0.000 0.268 255 E C 0.996 177.626 176.600 0.048 0.000 0.933 255 E CA -0.007 56.427 56.400 0.056 0.000 0.809 255 E CB 2.288 32.014 29.700 0.043 0.000 1.190 255 E HN 0.765 nan 8.360 nan 0.000 0.406 256 G N 2.377 111.202 108.800 0.042 0.000 2.692 256 G HA2 -0.475 3.485 3.960 -0.001 0.000 0.339 256 G HA3 -0.475 3.485 3.960 -0.001 0.000 0.339 256 G C 1.083 175.998 174.900 0.026 0.000 1.226 256 G CA 0.918 46.035 45.100 0.028 0.000 0.979 256 G HN 0.694 nan 8.290 nan 0.000 0.549 257 E N 1.617 121.829 120.200 0.021 0.000 2.153 257 E HA -0.009 4.340 4.350 -0.001 0.000 0.194 257 E C 2.878 179.493 176.600 0.025 0.000 0.988 257 E CA 1.812 58.221 56.400 0.016 0.000 0.811 257 E CB -0.455 29.252 29.700 0.012 0.000 0.746 257 E HN 0.722 nan 8.360 nan 0.000 0.466 258 A N 1.102 123.944 122.820 0.036 0.000 1.898 258 A HA -0.133 4.186 4.320 -0.001 0.000 0.216 258 A C 2.163 179.791 177.584 0.073 0.000 1.181 258 A CA 1.141 53.207 52.037 0.047 0.000 0.620 258 A CB -0.547 18.481 19.000 0.047 0.000 0.819 258 A HN 0.333 nan 8.150 nan 0.000 0.442 259 L N -0.378 120.896 121.223 0.085 0.000 2.072 259 L HA 0.045 4.385 4.340 -0.001 0.000 0.205 259 L C 2.656 179.576 176.870 0.084 0.000 1.079 259 L CA 2.035 56.954 54.840 0.131 0.000 0.752 259 L CB -0.674 41.462 42.059 0.128 0.000 0.906 259 L HN 0.319 nan 8.230 nan 0.000 0.436 260 A N -1.318 121.519 122.820 0.029 0.000 1.902 260 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 260 A C 2.015 179.589 177.584 -0.016 0.000 1.181 260 A CA 2.152 54.177 52.037 -0.021 0.000 0.623 260 A CB -1.189 17.795 19.000 -0.027 0.000 0.818 260 A HN 0.514 nan 8.150 nan 0.000 0.443 261 T N -0.308 114.253 114.554 0.013 0.000 3.252 261 T HA 0.356 4.706 4.350 -0.001 0.000 0.250 261 T C 1.056 175.782 174.700 0.044 0.000 1.123 261 T CA 0.393 62.502 62.100 0.015 0.000 1.006 261 T CB -0.092 68.783 68.868 0.012 0.000 0.992 261 T HN 0.325 nan 8.240 nan 0.000 0.547 262 L N -0.684 120.591 121.223 0.086 0.000 2.717 262 L HA 0.236 4.576 4.340 -0.001 0.000 0.239 262 L C 2.188 179.186 176.870 0.214 0.000 1.086 262 L CA 0.161 55.098 54.840 0.161 0.000 0.897 262 L CB 0.170 42.362 42.059 0.221 0.000 1.214 262 L HN 0.095 nan 8.230 nan 0.000 0.508 263 V N 0.228 120.191 119.914 0.081 0.000 2.379 263 V HA -0.184 3.935 4.120 -0.001 0.000 0.245 263 V C 2.467 178.491 176.094 -0.116 0.000 1.044 263 V CA 1.841 64.071 62.300 -0.117 0.000 1.036 263 V CB 0.136 31.770 31.823 -0.315 0.000 0.664 263 V HN 0.392 nan 8.190 nan 0.000 0.453 264 V N -1.716 118.139 119.914 -0.099 0.000 2.626 264 V HA -0.152 3.968 4.120 -0.001 0.000 0.252 264 V C 1.889 177.964 176.094 -0.032 0.000 1.067 264 V CA 2.087 64.334 62.300 -0.089 0.000 1.081 264 V CB -1.026 30.747 31.823 -0.082 0.000 0.686 264 V HN 0.552 nan 8.190 nan 0.000 0.468 265 N N 0.464 119.168 118.700 0.007 0.000 2.250 265 N HA -0.133 4.606 4.740 -0.001 0.000 0.181 265 N C 1.956 177.494 175.510 0.046 0.000 1.017 265 N CA 1.833 54.901 53.050 0.029 0.000 0.866 265 N CB -0.082 38.431 38.487 0.044 0.000 0.985 265 N HN 0.564 nan 8.380 nan 0.000 0.429 266 T N 0.975 115.579 114.554 0.083 0.000 2.995 266 T HA 0.017 4.366 4.350 -0.001 0.000 0.269 266 T C 1.810 176.546 174.700 0.060 0.000 1.091 266 T CA 0.474 62.639 62.100 0.107 0.000 1.128 266 T CB 0.067 69.076 68.868 0.235 0.000 0.891 266 T HN 0.111 nan 8.240 nan 0.000 0.492 267 M N -0.032 119.580 119.600 0.021 0.000 2.160 267 M HA 0.062 4.541 4.480 -0.001 0.000 0.264 267 M C 2.310 178.609 176.300 -0.001 0.000 1.073 267 M CA 1.470 56.771 55.300 0.002 0.000 1.142 267 M CB -0.180 32.397 32.600 -0.038 0.000 1.358 267 M HN 0.132 nan 8.290 nan 0.000 0.422 268 R N -0.589 119.908 120.500 -0.005 0.000 2.236 268 R HA 0.012 4.352 4.340 -0.001 0.000 0.208 268 R C 1.081 177.381 176.300 0.001 0.000 1.036 268 R CA 0.896 56.992 56.100 -0.006 0.000 1.001 268 R CB 0.127 30.421 30.300 -0.009 0.000 0.896 268 R HN 0.728 nan 8.270 nan 0.000 0.464 269 G N -0.758 108.048 108.800 0.010 0.000 2.198 269 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.156 269 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.156 269 G C 0.568 175.479 174.900 0.017 0.000 1.012 269 G CA -0.387 44.720 45.100 0.012 0.000 0.692 269 G HN 0.203 nan 8.290 nan 0.000 0.492 270 I N -0.273 120.309 120.570 0.021 0.000 3.172 270 I HA 0.267 4.437 4.170 -0.001 0.000 0.278 270 I C 0.724 176.854 176.117 0.022 0.000 1.174 270 I CA 0.516 61.827 61.300 0.017 0.000 1.445 270 I CB 0.735 38.743 38.000 0.013 0.000 1.175 270 I HN 0.027 nan 8.210 nan 0.000 0.447 271 V N 0.469 120.401 119.914 0.031 0.000 3.001 271 V HA 0.328 4.447 4.120 -0.001 0.000 0.314 271 V C -0.771 175.352 176.094 0.049 0.000 1.099 271 V CA -0.993 61.329 62.300 0.037 0.000 0.989 271 V CB 2.084 33.927 31.823 0.033 0.000 1.040 271 V HN -0.013 nan 8.190 nan 0.000 0.434 272 K N 1.980 122.410 120.400 0.049 0.000 2.284 272 K HA 0.612 4.931 4.320 -0.001 0.000 0.287 272 K C -0.879 175.747 176.600 0.044 0.000 1.081 272 K CA 0.050 56.370 56.287 0.055 0.000 0.910 272 K CB 0.969 33.496 32.500 0.045 0.000 1.088 272 K HN 0.462 nan 8.250 nan 0.000 0.478 273 V N 1.244 121.188 119.914 0.051 0.000 2.823 273 V HA 0.877 4.997 4.120 -0.001 0.000 0.312 273 V C -0.704 175.256 176.094 -0.223 0.000 1.072 273 V CA -1.206 61.074 62.300 -0.034 0.000 0.937 273 V CB 1.973 33.804 31.823 0.014 0.000 1.013 273 V HN 0.721 nan 8.190 nan 0.000 0.430 274 A N 2.520 125.101 122.820 -0.399 0.000 2.427 274 A HA 0.951 5.270 4.320 -0.001 0.000 0.298 274 A C -0.605 176.620 177.584 -0.599 0.000 1.036 274 A CA -0.205 51.400 52.037 -0.719 0.000 0.701 274 A CB 1.765 20.594 19.000 -0.285 0.000 1.250 274 A HN 1.628 nan 8.150 nan 0.000 0.412 275 A N 1.612 123.952 122.820 -0.800 0.000 2.319 275 A HA 0.779 5.098 4.320 -0.001 0.000 0.310 275 A C -0.282 177.272 177.584 -0.049 0.000 1.152 275 A CA -0.164 51.703 52.037 -0.285 0.000 0.783 275 A CB 0.881 19.784 19.000 -0.161 0.000 1.184 275 A HN 2.226 nan 8.150 nan 0.000 0.474 276 V N -0.106 119.824 119.914 0.027 0.000 2.962 276 V HA 0.623 4.743 4.120 -0.001 0.000 0.313 276 V C -0.341 175.826 176.094 0.121 0.000 1.099 276 V CA -1.223 61.138 62.300 0.102 0.000 0.971 276 V CB 1.557 33.453 31.823 0.121 0.000 1.028 276 V HN 0.811 nan 8.190 nan 0.000 0.430 277 K N 1.956 122.435 120.400 0.132 0.000 2.295 277 K HA 0.634 4.954 4.320 -0.001 0.000 0.270 277 K C 0.387 177.062 176.600 0.125 0.000 1.011 277 K CA 0.272 56.626 56.287 0.113 0.000 0.953 277 K CB 1.273 33.834 32.500 0.102 0.000 0.956 277 K HN 1.105 nan 8.250 nan 0.000 0.477 278 A N 4.417 127.264 122.820 0.045 0.000 2.425 278 A HA 0.256 4.575 4.320 -0.001 0.000 0.249 278 A C -2.102 175.449 177.584 -0.055 0.000 1.084 278 A CA -1.228 50.771 52.037 -0.062 0.000 0.781 278 A CB -0.230 18.724 19.000 -0.077 0.000 1.019 278 A HN 0.448 nan 8.150 nan 0.000 0.490 279 P HA 0.397 nan 4.420 nan 0.000 0.272 279 P C 0.684 177.965 177.300 -0.033 0.000 1.223 279 P CA 1.384 64.445 63.100 -0.065 0.000 0.784 279 P CB 0.643 32.232 31.700 -0.184 0.000 0.923 280 G N 1.607 110.437 108.800 0.051 0.000 2.750 280 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.228 280 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.228 280 G C -0.863 174.134 174.900 0.161 0.000 1.367 280 G CA -0.036 45.103 45.100 0.064 0.000 0.871 280 G HN 0.738 nan 8.290 nan 0.000 0.560 281 F N -2.205 117.751 119.950 0.011 0.000 2.626 281 F HA 0.788 5.315 4.527 -0.001 0.000 0.311 281 F C 1.072 176.878 175.800 0.010 0.000 1.088 281 F CA 0.182 58.188 58.000 0.010 0.000 0.949 281 F CB 1.073 40.083 39.000 0.017 0.000 1.322 281 F HN 2.410 nan 8.300 nan 0.000 0.461 282 G N 1.685 110.583 108.800 0.162 0.000 2.622 282 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.307 282 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.307 282 G C 0.454 175.325 174.900 -0.047 0.000 1.226 282 G CA 0.895 46.035 45.100 0.065 0.000 0.997 282 G HN 0.827 nan 8.290 nan 0.000 0.551 283 D N 1.108 121.457 120.400 -0.085 0.000 2.097 283 D HA -0.060 4.580 4.640 -0.001 0.000 0.197 283 D C 2.614 178.848 176.300 -0.110 0.000 0.984 283 D CA 1.653 55.606 54.000 -0.079 0.000 0.826 283 D CB -0.343 40.421 40.800 -0.060 0.000 0.973 283 D HN 0.713 nan 8.370 nan 0.000 0.460 284 R N 0.948 121.340 120.500 -0.180 0.000 2.152 284 R HA -0.044 4.295 4.340 -0.001 0.000 0.232 284 R C 2.209 178.421 176.300 -0.146 0.000 1.117 284 R CA 0.937 56.933 56.100 -0.172 0.000 0.981 284 R CB -0.329 29.836 30.300 -0.226 0.000 0.870 284 R HN 0.074 nan 8.270 nan 0.000 0.451 285 R N 1.657 122.073 120.500 -0.141 0.000 2.062 285 R HA -0.081 4.259 4.340 -0.001 0.000 0.231 285 R C 1.767 178.017 176.300 -0.083 0.000 1.136 285 R CA 1.709 57.753 56.100 -0.094 0.000 0.948 285 R CB -0.085 30.191 30.300 -0.040 0.000 0.845 285 R HN 0.246 nan 8.270 nan 0.000 0.430 286 K N 0.108 120.469 120.400 -0.065 0.000 2.059 286 K HA -0.193 4.127 4.320 -0.001 0.000 0.212 286 K C 2.111 178.675 176.600 -0.060 0.000 1.050 286 K CA 1.915 58.171 56.287 -0.052 0.000 0.927 286 K CB -0.266 32.211 32.500 -0.039 0.000 0.714 286 K HN 0.256 nan 8.250 nan 0.000 0.447 287 A N 1.075 123.855 122.820 -0.067 0.000 1.902 287 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 287 A C 2.090 179.628 177.584 -0.076 0.000 1.181 287 A CA 1.518 53.517 52.037 -0.065 0.000 0.623 287 A CB -0.411 18.550 19.000 -0.065 0.000 0.818 287 A HN 0.213 nan 8.150 nan 0.000 0.443 288 M N -0.701 118.839 119.600 -0.100 0.000 2.394 288 M HA 0.028 4.507 4.480 -0.001 0.000 0.264 288 M C 1.894 178.104 176.300 -0.151 0.000 1.073 288 M CA 0.722 55.945 55.300 -0.128 0.000 1.111 288 M CB -0.342 32.162 32.600 -0.160 0.000 1.401 288 M HN 0.363 nan 8.290 nan 0.000 0.448 289 L N -0.226 120.919 121.223 -0.130 0.000 2.046 289 L HA -0.235 4.105 4.340 -0.001 0.000 0.208 289 L C 2.606 179.430 176.870 -0.076 0.000 1.077 289 L CA 1.233 56.005 54.840 -0.114 0.000 0.747 289 L CB -0.475 41.535 42.059 -0.082 0.000 0.896 289 L HN 0.277 nan 8.230 nan 0.000 0.432 290 Q N 0.043 119.806 119.800 -0.061 0.000 2.123 290 Q HA -0.187 4.152 4.340 -0.001 0.000 0.199 290 Q C 1.676 177.652 176.000 -0.039 0.000 0.966 290 Q CA 1.490 57.268 55.803 -0.041 0.000 0.845 290 Q CB -0.076 28.642 28.738 -0.035 0.000 0.907 290 Q HN 0.346 nan 8.270 nan 0.000 0.439 291 D N -0.262 120.107 120.400 -0.051 0.000 2.106 291 D HA -0.178 4.462 4.640 -0.001 0.000 0.191 291 D C 1.757 178.038 176.300 -0.031 0.000 0.997 291 D CA 1.415 55.389 54.000 -0.042 0.000 0.834 291 D CB -0.195 40.573 40.800 -0.054 0.000 0.956 291 D HN 0.336 nan 8.370 nan 0.000 0.448 292 I N 0.791 121.331 120.570 -0.050 0.000 2.226 292 I HA -0.244 3.925 4.170 -0.001 0.000 0.245 292 I C 2.420 178.535 176.117 -0.004 0.000 1.100 292 I CA 1.033 62.320 61.300 -0.021 0.000 1.374 292 I CB -0.191 37.773 38.000 -0.060 0.000 1.057 292 I HN -0.065 nan 8.210 nan 0.000 0.413 293 A N 0.374 123.185 122.820 -0.015 0.000 1.902 293 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 293 A C 2.384 179.969 177.584 0.001 0.000 1.181 293 A CA 2.418 54.453 52.037 -0.003 0.000 0.623 293 A CB -1.084 17.911 19.000 -0.009 0.000 0.818 293 A HN 0.400 nan 8.150 nan 0.000 0.443 294 T N 0.402 114.953 114.554 -0.005 0.000 2.746 294 T HA -0.098 4.251 4.350 -0.001 0.000 0.267 294 T C 1.848 176.549 174.700 0.002 0.000 1.039 294 T CA 1.189 63.288 62.100 -0.003 0.000 1.142 294 T CB -0.310 68.553 68.868 -0.007 0.000 0.866 294 T HN 0.290 nan 8.240 nan 0.000 0.444 295 L N 1.901 123.126 121.223 0.004 0.000 2.046 295 L HA -0.110 4.229 4.340 -0.001 0.000 0.208 295 L C 2.552 179.429 176.870 0.011 0.000 1.077 295 L CA 2.468 57.314 54.840 0.010 0.000 0.747 295 L CB -1.340 40.730 42.059 0.020 0.000 0.896 295 L HN 0.483 nan 8.230 nan 0.000 0.432 296 T N -3.923 110.640 114.554 0.015 0.000 3.054 296 T HA 0.180 4.529 4.350 -0.001 0.000 0.259 296 T C 1.327 176.035 174.700 0.012 0.000 1.092 296 T CA 0.596 62.704 62.100 0.014 0.000 1.121 296 T CB -0.000 68.883 68.868 0.026 0.000 0.912 296 T HN 0.547 nan 8.240 nan 0.000 0.489 297 G N 0.599 109.408 108.800 0.015 0.000 2.203 297 G HA2 0.148 4.108 3.960 -0.001 0.000 0.231 297 G HA3 0.148 4.108 3.960 -0.001 0.000 0.231 297 G C 0.195 175.114 174.900 0.031 0.000 1.058 297 G CA -0.272 44.839 45.100 0.018 0.000 0.781 297 G HN 1.032 nan 8.290 nan 0.000 0.496 298 G N -1.407 107.411 108.800 0.030 0.000 2.685 298 G HA2 0.851 4.810 3.960 -0.001 0.000 0.298 298 G HA3 0.851 4.810 3.960 -0.001 0.000 0.298 298 G C -0.383 174.530 174.900 0.021 0.000 1.277 298 G CA 0.176 45.297 45.100 0.036 0.000 0.986 298 G HN 0.690 nan 8.290 nan 0.000 0.487 299 T N -0.100 114.466 114.554 0.020 0.000 2.855 299 T HA 0.467 4.817 4.350 -0.001 0.000 0.281 299 T C -0.101 174.602 174.700 0.006 0.000 1.007 299 T CA -0.408 61.698 62.100 0.009 0.000 1.009 299 T CB 1.924 70.797 68.868 0.008 0.000 0.983 299 T HN 0.331 nan 8.240 nan 0.000 0.455 300 V N 3.516 123.429 119.914 -0.002 0.000 2.427 300 V HA 0.190 4.310 4.120 -0.001 0.000 0.268 300 V C 0.228 176.319 176.094 -0.004 0.000 1.046 300 V CA -0.549 61.748 62.300 -0.006 0.000 0.970 300 V CB -0.035 31.779 31.823 -0.015 0.000 1.001 300 V HN 0.728 nan 8.190 nan 0.000 0.476 301 I N 5.803 126.372 120.570 -0.002 0.000 2.372 301 I HA 0.099 4.268 4.170 -0.001 0.000 0.298 301 I C 0.743 176.858 176.117 -0.003 0.000 1.137 301 I CA 0.984 62.283 61.300 -0.001 0.000 1.314 301 I CB 0.324 38.324 38.000 0.000 0.000 1.444 301 I HN 0.728 nan 8.210 nan 0.000 0.541 302 S N 3.792 119.490 115.700 -0.003 0.000 2.498 302 S HA 0.348 4.817 4.470 -0.001 0.000 0.317 302 S C 0.647 175.246 174.600 -0.002 0.000 1.090 302 S CA -0.853 57.345 58.200 -0.003 0.000 1.089 302 S CB 1.106 64.302 63.200 -0.006 0.000 0.997 302 S HN 0.688 nan 8.310 nan 0.000 0.470 303 E N 1.611 121.811 120.200 0.000 0.000 2.516 303 E HA -0.107 4.243 4.350 -0.001 0.000 0.199 303 E C 1.215 177.816 176.600 0.001 0.000 1.069 303 E CA 0.477 56.878 56.400 0.001 0.000 0.876 303 E CB -0.056 29.646 29.700 0.003 0.000 0.843 303 E HN 0.848 nan 8.360 nan 0.000 0.530 304 E N 1.069 121.269 120.200 0.000 0.000 2.150 304 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 304 E C 1.817 178.417 176.600 -0.001 0.000 0.985 304 E CA 1.015 57.415 56.400 -0.000 0.000 0.814 304 E CB 0.050 29.749 29.700 -0.001 0.000 0.752 304 E HN 0.446 nan 8.360 nan 0.000 0.466 305 I N -1.478 119.091 120.570 -0.002 0.000 2.400 305 I HA 0.077 4.247 4.170 -0.001 0.000 0.248 305 I C 1.800 177.916 176.117 -0.001 0.000 1.109 305 I CA 0.993 62.292 61.300 -0.002 0.000 1.425 305 I CB 0.313 38.312 38.000 -0.003 0.000 1.094 305 I HN 0.304 nan 8.210 nan 0.000 0.425 306 G N -0.044 108.755 108.800 -0.001 0.000 2.902 306 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.215 306 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.215 306 G C 0.329 175.228 174.900 -0.001 0.000 0.976 306 G CA -0.620 44.479 45.100 -0.001 0.000 0.794 306 G HN 0.036 nan 8.290 nan 0.000 0.557 307 M N 1.298 120.897 119.600 -0.001 0.000 2.250 307 M HA 0.309 4.789 4.480 -0.001 0.000 0.337 307 M C 0.298 176.597 176.300 -0.001 0.000 1.161 307 M CA 1.034 56.333 55.300 -0.002 0.000 1.088 307 M CB 0.396 32.994 32.600 -0.002 0.000 1.639 307 M HN 0.154 nan 8.290 nan 0.000 0.447 308 E N 1.717 121.916 120.200 -0.002 0.000 2.256 308 E HA 0.221 4.571 4.350 -0.001 0.000 0.267 308 E C 0.078 176.677 176.600 -0.003 0.000 0.892 308 E CA -0.498 55.901 56.400 -0.002 0.000 0.775 308 E CB 2.240 31.939 29.700 -0.002 0.000 1.207 308 E HN 0.649 nan 8.360 nan 0.000 0.420 309 L N 2.152 123.374 121.223 -0.002 0.000 2.275 309 L HA -0.156 4.183 4.340 -0.001 0.000 0.215 309 L C 1.556 178.422 176.870 -0.006 0.000 1.119 309 L CA 1.385 56.224 54.840 -0.003 0.000 0.790 309 L CB 0.134 42.193 42.059 0.001 0.000 0.919 309 L HN 0.561 nan 8.230 nan 0.000 0.443 310 E N -0.378 119.819 120.200 -0.006 0.000 2.268 310 E HA -0.168 4.182 4.350 -0.001 0.000 0.195 310 E C 1.746 178.340 176.600 -0.011 0.000 0.995 310 E CA 0.830 57.225 56.400 -0.008 0.000 0.836 310 E CB 0.146 29.843 29.700 -0.006 0.000 0.763 310 E HN 0.377 nan 8.360 nan 0.000 0.491 311 K N -0.050 120.344 120.400 -0.010 0.000 2.352 311 K HA 0.256 4.576 4.320 -0.001 0.000 0.194 311 K C 0.405 176.996 176.600 -0.014 0.000 1.038 311 K CA 0.187 56.467 56.287 -0.011 0.000 1.023 311 K CB 0.689 33.185 32.500 -0.008 0.000 0.840 311 K HN -0.017 nan 8.250 nan 0.000 0.519 312 A N 2.689 125.500 122.820 -0.015 0.000 2.491 312 A HA 0.132 4.451 4.320 -0.001 0.000 0.261 312 A C 0.612 178.178 177.584 -0.030 0.000 1.101 312 A CA -0.086 51.940 52.037 -0.018 0.000 0.772 312 A CB -0.150 18.842 19.000 -0.014 0.000 1.043 312 A HN 0.271 nan 8.150 nan 0.000 0.501 313 T N 0.962 115.497 114.554 -0.032 0.000 2.867 313 T HA 0.470 4.819 4.350 -0.001 0.000 0.286 313 T C 1.326 175.986 174.700 -0.067 0.000 1.022 313 T CA -0.633 61.438 62.100 -0.049 0.000 0.933 313 T CB 0.315 69.160 68.868 -0.038 0.000 1.280 313 T HN 0.331 nan 8.240 nan 0.000 0.566 314 L N 0.918 122.081 121.223 -0.099 0.000 2.156 314 L HA -0.039 4.300 4.340 -0.001 0.000 0.208 314 L C 2.978 179.829 176.870 -0.033 0.000 1.095 314 L CA 1.212 55.963 54.840 -0.149 0.000 0.770 314 L CB -0.558 41.355 42.059 -0.244 0.000 0.914 314 L HN 0.809 nan 8.230 nan 0.000 0.439 315 E N -0.475 119.722 120.200 -0.005 0.000 2.338 315 E HA -0.225 4.125 4.350 -0.001 0.000 0.197 315 E C 0.840 177.459 176.600 0.032 0.000 1.007 315 E CA 0.977 57.394 56.400 0.029 0.000 0.849 315 E CB -0.253 29.458 29.700 0.019 0.000 0.774 315 E HN 0.516 nan 8.360 nan 0.000 0.506 316 D N 0.548 120.958 120.400 0.017 0.000 2.194 316 D HA 0.021 4.660 4.640 -0.001 0.000 0.204 316 D C 0.343 176.668 176.300 0.041 0.000 0.964 316 D CA 0.278 54.290 54.000 0.020 0.000 0.846 316 D CB 0.178 40.980 40.800 0.005 0.000 0.962 316 D HN 0.134 nan 8.370 nan 0.000 0.490 317 L N 0.808 122.067 121.223 0.061 0.000 2.397 317 L HA 0.268 4.607 4.340 -0.001 0.000 0.271 317 L C 1.371 178.340 176.870 0.166 0.000 1.148 317 L CA 0.058 54.968 54.840 0.117 0.000 0.825 317 L CB 1.030 43.174 42.059 0.141 0.000 1.117 317 L HN -0.173 nan 8.230 nan 0.000 0.456 318 G N 1.956 110.834 108.800 0.131 0.000 2.616 318 G HA2 0.490 4.449 3.960 -0.001 0.000 0.268 318 G HA3 0.490 4.449 3.960 -0.001 0.000 0.268 318 G C -0.795 174.147 174.900 0.071 0.000 1.213 318 G CA -0.313 44.840 45.100 0.090 0.000 0.926 318 G HN 0.571 nan 8.290 nan 0.000 0.523 319 Q N -1.480 118.312 119.800 -0.013 0.000 2.340 319 Q HA 0.597 4.937 4.340 -0.001 0.000 0.276 319 Q C -0.816 175.129 176.000 -0.092 0.000 1.048 319 Q CA -0.667 55.059 55.803 -0.128 0.000 0.832 319 Q CB 2.553 31.180 28.738 -0.185 0.000 1.373 319 Q HN 0.877 nan 8.270 nan 0.000 0.409 320 A N 1.233 123.983 122.820 -0.117 0.000 2.587 320 A HA 0.469 4.789 4.320 -0.001 0.000 0.293 320 A C -0.231 177.297 177.584 -0.093 0.000 1.087 320 A CA -0.562 51.429 52.037 -0.077 0.000 0.692 320 A CB 1.655 20.629 19.000 -0.043 0.000 1.291 320 A HN 0.600 nan 8.150 nan 0.000 0.407 321 K N -0.280 120.079 120.400 -0.067 0.000 2.155 321 K HA 0.044 4.363 4.320 -0.001 0.000 0.203 321 K C 0.398 176.965 176.600 -0.055 0.000 1.052 321 K CA 1.200 57.449 56.287 -0.063 0.000 0.948 321 K CB 0.028 32.501 32.500 -0.045 0.000 0.728 321 K HN 0.636 nan 8.250 nan 0.000 0.448 322 R N -0.746 119.726 120.500 -0.045 0.000 2.594 322 R HA 0.294 4.633 4.340 -0.001 0.000 0.265 322 R C -1.942 174.338 176.300 -0.033 0.000 1.070 322 R CA -0.478 55.600 56.100 -0.036 0.000 0.909 322 R CB 2.044 32.328 30.300 -0.028 0.000 1.243 322 R HN -0.187 nan 8.270 nan 0.000 0.455 323 V N 4.032 123.928 119.914 -0.030 0.000 2.577 323 V HA 0.508 4.628 4.120 -0.001 0.000 0.303 323 V C -0.818 175.259 176.094 -0.028 0.000 1.042 323 V CA -0.700 61.581 62.300 -0.032 0.000 0.872 323 V CB 2.076 33.884 31.823 -0.026 0.000 0.998 323 V HN 0.480 nan 8.190 nan 0.000 0.423 324 V N 6.443 126.333 119.914 -0.041 0.000 2.495 324 V HA 0.608 4.727 4.120 -0.001 0.000 0.298 324 V C -0.484 175.583 176.094 -0.045 0.000 1.031 324 V CA -0.472 61.812 62.300 -0.027 0.000 0.871 324 V CB 1.952 33.762 31.823 -0.021 0.000 0.988 324 V HN 0.709 nan 8.190 nan 0.000 0.432 325 I N 4.308 124.880 120.570 0.004 0.000 2.499 325 I HA 0.460 4.629 4.170 -0.001 0.000 0.288 325 I C -0.045 176.119 176.117 0.078 0.000 1.048 325 I CA -0.426 60.881 61.300 0.011 0.000 1.062 325 I CB 1.943 39.980 38.000 0.061 0.000 1.238 325 I HN 0.540 nan 8.210 nan 0.000 0.426 326 N N 4.399 123.083 118.700 -0.026 0.000 2.495 326 N HA 0.325 5.065 4.740 -0.001 0.000 0.294 326 N C 0.924 176.223 175.510 -0.353 0.000 1.276 326 N CA -0.520 52.499 53.050 -0.050 0.000 0.973 326 N CB 0.845 39.285 38.487 -0.079 0.000 1.143 326 N HN 0.444 nan 8.380 nan 0.000 0.589 327 K N 0.310 120.484 120.400 -0.376 0.000 2.152 327 K HA -0.156 4.163 4.320 -0.001 0.000 0.206 327 K C -0.244 176.069 176.600 -0.479 0.000 1.048 327 K CA 1.579 57.480 56.287 -0.644 0.000 0.933 327 K CB -0.144 32.221 32.500 -0.225 0.000 0.721 327 K HN 0.599 nan 8.250 nan 0.000 0.447 328 D N -1.688 118.549 120.400 -0.273 0.000 2.672 328 D HA 0.081 4.720 4.640 -0.001 0.000 0.287 328 D C -0.621 175.603 176.300 -0.127 0.000 1.559 328 D CA -0.332 53.569 54.000 -0.165 0.000 0.796 328 D CB 0.465 41.206 40.800 -0.099 0.000 1.181 328 D HN -0.268 nan 8.370 nan 0.000 0.458 329 T N -0.101 114.357 114.554 -0.161 0.000 3.032 329 T HA 0.577 4.926 4.350 -0.001 0.000 0.312 329 T C -1.014 173.545 174.700 -0.235 0.000 1.078 329 T CA -0.443 61.553 62.100 -0.173 0.000 1.028 329 T CB 2.167 70.951 68.868 -0.140 0.000 1.091 329 T HN -0.115 nan 8.240 nan 0.000 0.457 330 T N 2.273 116.577 114.554 -0.417 0.000 2.807 330 T HA 0.667 5.016 4.350 -0.001 0.000 0.279 330 T C -0.353 173.994 174.700 -0.588 0.000 0.993 330 T CA -0.561 61.220 62.100 -0.533 0.000 0.970 330 T CB 1.631 70.033 68.868 -0.778 0.000 0.950 330 T HN 0.599 nan 8.240 nan 0.000 0.441 331 T N 3.312 117.671 114.554 -0.325 0.000 2.841 331 T HA 0.661 5.010 4.350 -0.001 0.000 0.285 331 T C -0.785 173.836 174.700 -0.132 0.000 0.991 331 T CA -0.711 61.256 62.100 -0.222 0.000 0.966 331 T CB 0.243 69.030 68.868 -0.136 0.000 0.962 331 T HN 0.481 nan 8.240 nan 0.000 0.438 332 I N 6.196 126.722 120.570 -0.074 0.000 2.330 332 I HA 0.432 4.602 4.170 -0.001 0.000 0.289 332 I C -0.435 175.676 176.117 -0.011 0.000 1.001 332 I CA -0.760 60.531 61.300 -0.015 0.000 1.193 332 I CB 1.255 39.287 38.000 0.053 0.000 1.345 332 I HN 0.556 nan 8.210 nan 0.000 0.461 333 I N 5.786 126.343 120.570 -0.020 0.000 2.354 333 I HA 0.252 4.421 4.170 -0.001 0.000 0.292 333 I C 0.109 176.214 176.117 -0.020 0.000 0.989 333 I CA -0.406 60.882 61.300 -0.020 0.000 1.188 333 I CB 1.109 39.095 38.000 -0.024 0.000 1.342 333 I HN 0.612 nan 8.210 nan 0.000 0.457 334 D N 4.994 125.385 120.400 -0.016 0.000 3.187 334 D HA -0.118 4.522 4.640 -0.001 0.000 0.244 334 D C 0.150 176.437 176.300 -0.021 0.000 1.114 334 D CA 0.629 54.618 54.000 -0.018 0.000 0.920 334 D CB -0.115 40.671 40.800 -0.023 0.000 0.970 334 D HN 0.857 nan 8.370 nan 0.000 0.418 335 G N 0.498 109.291 108.800 -0.012 0.000 2.483 335 G HA2 0.364 4.323 3.960 -0.001 0.000 0.248 335 G HA3 0.364 4.323 3.960 -0.001 0.000 0.248 335 G C 1.287 176.178 174.900 -0.016 0.000 1.248 335 G CA -0.236 44.858 45.100 -0.011 0.000 0.838 335 G HN 0.291 nan 8.290 nan 0.000 0.566 336 V N 1.931 121.833 119.914 -0.020 0.000 3.649 336 V HA 0.158 4.277 4.120 -0.001 0.000 0.275 336 V C 1.857 177.947 176.094 -0.007 0.000 1.281 336 V CA 0.390 62.679 62.300 -0.018 0.000 1.143 336 V CB -0.599 31.207 31.823 -0.029 0.000 0.892 336 V HN 0.793 nan 8.190 nan 0.000 0.441 337 G N 0.738 109.537 108.800 -0.003 0.000 2.380 337 G HA2 0.186 4.146 3.960 -0.001 0.000 0.242 337 G HA3 0.186 4.146 3.960 -0.001 0.000 0.242 337 G C 0.005 174.905 174.900 -0.001 0.000 1.298 337 G CA -0.166 44.934 45.100 0.001 0.000 0.878 337 G HN 0.206 nan 8.290 nan 0.000 0.542 338 E N 1.360 121.560 120.200 0.000 0.000 2.398 338 E HA 0.008 4.357 4.350 -0.001 0.000 0.263 338 E C 1.363 177.962 176.600 -0.002 0.000 1.046 338 E CA -0.313 56.086 56.400 -0.001 0.000 0.908 338 E CB 0.915 30.615 29.700 0.000 0.000 0.963 338 E HN 0.627 nan 8.360 nan 0.000 0.431 339 E N 1.661 121.859 120.200 -0.002 0.000 2.204 339 E HA -0.182 4.167 4.350 -0.001 0.000 0.195 339 E C 1.647 178.245 176.600 -0.003 0.000 0.990 339 E CA 1.042 57.440 56.400 -0.003 0.000 0.821 339 E CB -0.245 29.453 29.700 -0.003 0.000 0.750 339 E HN 0.512 nan 8.360 nan 0.000 0.477 340 A N 2.073 124.892 122.820 -0.002 0.000 1.865 340 A HA -0.080 4.240 4.320 -0.001 0.000 0.217 340 A C 2.503 180.085 177.584 -0.003 0.000 1.191 340 A CA 2.351 54.386 52.037 -0.003 0.000 0.623 340 A CB -0.701 18.298 19.000 -0.002 0.000 0.826 340 A HN 0.317 nan 8.150 nan 0.000 0.444 341 A N -0.569 122.250 122.820 -0.003 0.000 1.929 341 A HA 0.053 4.373 4.320 -0.001 0.000 0.216 341 A C 2.136 179.717 177.584 -0.004 0.000 1.176 341 A CA 1.276 53.311 52.037 -0.003 0.000 0.628 341 A CB -0.530 18.469 19.000 -0.002 0.000 0.816 341 A HN 0.480 nan 8.150 nan 0.000 0.444 342 I N -0.786 119.782 120.570 -0.004 0.000 2.142 342 I HA -0.299 3.871 4.170 -0.001 0.000 0.240 342 I C 2.695 178.809 176.117 -0.006 0.000 1.078 342 I CA 1.619 62.917 61.300 -0.004 0.000 1.343 342 I CB -0.291 37.708 38.000 -0.003 0.000 1.046 342 I HN 0.303 nan 8.210 nan 0.000 0.405 343 Q N 0.430 120.227 119.800 -0.005 0.000 2.224 343 Q HA -0.086 4.253 4.340 -0.001 0.000 0.203 343 Q C 2.153 178.149 176.000 -0.007 0.000 0.970 343 Q CA 1.457 57.256 55.803 -0.006 0.000 0.865 343 Q CB -0.407 28.328 28.738 -0.005 0.000 0.922 343 Q HN 0.585 nan 8.270 nan 0.000 0.445 344 G N 0.031 108.827 108.800 -0.007 0.000 2.403 344 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.216 344 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.216 344 G C 1.495 176.390 174.900 -0.009 0.000 1.154 344 G CA 0.611 45.707 45.100 -0.007 0.000 0.784 344 G HN 0.188 nan 8.290 nan 0.000 0.538 345 R N 0.336 120.830 120.500 -0.010 0.000 2.075 345 R HA 0.006 4.346 4.340 -0.001 0.000 0.232 345 R C 2.516 178.807 176.300 -0.014 0.000 1.126 345 R CA 1.432 57.525 56.100 -0.013 0.000 0.963 345 R CB -0.790 29.502 30.300 -0.013 0.000 0.858 345 R HN 0.201 nan 8.270 nan 0.000 0.435 346 V N 0.861 120.768 119.914 -0.013 0.000 2.343 346 V HA -0.181 3.939 4.120 -0.001 0.000 0.247 346 V C 2.366 178.452 176.094 -0.014 0.000 1.051 346 V CA 1.844 64.136 62.300 -0.014 0.000 1.036 346 V CB -0.984 30.833 31.823 -0.011 0.000 0.654 346 V HN 0.535 nan 8.190 nan 0.000 0.451 347 A N -1.034 121.779 122.820 -0.012 0.000 1.978 347 A HA -0.292 4.027 4.320 -0.001 0.000 0.220 347 A C 2.221 179.798 177.584 -0.012 0.000 1.170 347 A CA 1.959 53.989 52.037 -0.011 0.000 0.636 347 A CB -0.450 18.544 19.000 -0.009 0.000 0.810 347 A HN 0.611 nan 8.150 nan 0.000 0.448 348 Q N -0.728 119.065 119.800 -0.013 0.000 2.046 348 Q HA -0.081 4.259 4.340 -0.001 0.000 0.200 348 Q C 1.985 177.975 176.000 -0.017 0.000 0.975 348 Q CA 1.510 57.304 55.803 -0.015 0.000 0.836 348 Q CB -0.238 28.491 28.738 -0.015 0.000 0.896 348 Q HN 0.782 nan 8.270 nan 0.000 0.428 349 I N 0.136 120.694 120.570 -0.020 0.000 2.614 349 I HA -0.226 3.944 4.170 -0.001 0.000 0.258 349 I C 2.185 178.288 176.117 -0.023 0.000 1.189 349 I CA 0.842 62.127 61.300 -0.025 0.000 1.462 349 I CB -0.173 37.809 38.000 -0.029 0.000 1.092 349 I HN 0.099 nan 8.210 nan 0.000 0.442 350 R N 0.225 120.713 120.500 -0.019 0.000 2.127 350 R HA -0.037 4.303 4.340 -0.001 0.000 0.217 350 R C 2.172 178.463 176.300 -0.015 0.000 1.074 350 R CA 0.592 56.682 56.100 -0.017 0.000 0.991 350 R CB -0.156 30.136 30.300 -0.015 0.000 0.895 350 R HN 0.372 nan 8.270 nan 0.000 0.450 351 Q N 0.821 120.613 119.800 -0.014 0.000 2.224 351 Q HA -0.144 4.195 4.340 -0.001 0.000 0.203 351 Q C 1.639 177.631 176.000 -0.012 0.000 0.970 351 Q CA 1.436 57.232 55.803 -0.012 0.000 0.865 351 Q CB 0.146 28.878 28.738 -0.011 0.000 0.922 351 Q HN 0.469 nan 8.270 nan 0.000 0.445 352 Q N -0.548 119.243 119.800 -0.015 0.000 2.424 352 Q HA 0.095 4.434 4.340 -0.001 0.000 0.204 352 Q C 1.813 177.803 176.000 -0.017 0.000 0.933 352 Q CA 0.159 55.952 55.803 -0.016 0.000 0.929 352 Q CB 0.333 29.059 28.738 -0.019 0.000 1.037 352 Q HN 0.323 nan 8.270 nan 0.000 0.511 353 I N 0.706 121.265 120.570 -0.018 0.000 2.500 353 I HA -0.187 3.983 4.170 -0.001 0.000 0.252 353 I C 1.887 177.997 176.117 -0.012 0.000 1.142 353 I CA 0.679 61.969 61.300 -0.018 0.000 1.451 353 I CB 0.017 38.004 38.000 -0.021 0.000 1.093 353 I HN 0.149 nan 8.210 nan 0.000 0.430 354 E N 1.476 121.670 120.200 -0.011 0.000 2.118 354 E HA -0.227 4.123 4.350 -0.001 0.000 0.195 354 E C 0.896 177.493 176.600 -0.006 0.000 0.992 354 E CA 1.152 57.548 56.400 -0.008 0.000 0.804 354 E CB -0.336 29.360 29.700 -0.007 0.000 0.741 354 E HN 0.687 nan 8.360 nan 0.000 0.458 355 E N 0.608 120.805 120.200 -0.006 0.000 2.663 355 E HA 0.516 4.865 4.350 -0.001 0.000 0.240 355 E C -0.494 176.105 176.600 -0.002 0.000 1.227 355 E CA -0.380 56.017 56.400 -0.003 0.000 1.528 355 E CB 0.633 30.331 29.700 -0.004 0.000 1.472 355 E HN -0.028 nan 8.360 nan 0.000 0.433 356 A N 0.936 123.755 122.820 -0.001 0.000 2.310 356 A HA 0.400 4.720 4.320 -0.001 0.000 0.299 356 A C 0.928 178.517 177.584 0.008 0.000 1.147 356 A CA -0.503 51.536 52.037 0.003 0.000 0.818 356 A CB 0.829 19.829 19.000 -0.001 0.000 1.096 356 A HN 0.393 nan 8.150 nan 0.000 0.495 357 T N -1.510 113.053 114.554 0.015 0.000 3.010 357 T HA 0.339 4.688 4.350 -0.001 0.000 0.257 357 T C 0.505 175.220 174.700 0.025 0.000 1.020 357 T CA 0.535 62.646 62.100 0.017 0.000 0.938 357 T CB -0.450 68.427 68.868 0.015 0.000 1.049 357 T HN 1.222 nan 8.240 nan 0.000 0.522 358 S N -0.153 115.569 115.700 0.036 0.000 2.579 358 S HA 0.523 4.993 4.470 -0.001 0.000 0.272 358 S C -0.473 174.162 174.600 0.059 0.000 1.141 358 S CA -0.674 57.558 58.200 0.053 0.000 0.843 358 S CB 1.954 65.200 63.200 0.077 0.000 1.122 358 S HN -0.141 nan 8.310 nan 0.000 0.468 359 D N 0.009 120.449 120.400 0.067 0.000 2.178 359 D HA -0.004 4.636 4.640 -0.001 0.000 0.202 359 D C 1.342 177.686 176.300 0.073 0.000 0.974 359 D CA 1.291 55.326 54.000 0.057 0.000 0.841 359 D CB -0.258 40.576 40.800 0.056 0.000 0.953 359 D HN 0.652 nan 8.370 nan 0.000 0.478 360 Y N 1.131 121.430 120.300 -0.002 0.000 2.242 360 Y HA -0.160 4.390 4.550 -0.001 0.000 0.291 360 Y C 1.520 177.413 175.900 -0.011 0.000 1.137 360 Y CA 1.455 59.553 58.100 -0.004 0.000 1.181 360 Y CB 0.027 38.487 38.460 0.000 0.000 0.989 360 Y HN -0.142 nan 8.280 nan 0.000 0.527 361 D N -0.439 119.998 120.400 0.061 0.000 2.149 361 D HA -0.104 4.535 4.640 -0.001 0.000 0.201 361 D C 2.206 178.458 176.300 -0.079 0.000 0.972 361 D CA 1.018 55.007 54.000 -0.018 0.000 0.835 361 D CB -0.239 40.589 40.800 0.046 0.000 0.966 361 D HN 0.272 nan 8.370 nan 0.000 0.476 362 R N 0.573 121.041 120.500 -0.053 0.000 2.075 362 R HA -0.105 4.235 4.340 -0.001 0.000 0.232 362 R C 1.992 178.243 176.300 -0.081 0.000 1.126 362 R CA 1.381 57.450 56.100 -0.052 0.000 0.963 362 R CB 0.098 30.382 30.300 -0.026 0.000 0.858 362 R HN 0.351 nan 8.270 nan 0.000 0.435 363 E N -0.543 119.588 120.200 -0.114 0.000 2.299 363 E HA -0.092 4.258 4.350 -0.001 0.000 0.193 363 E C 1.503 177.996 176.600 -0.177 0.000 0.998 363 E CA 0.327 56.652 56.400 -0.125 0.000 0.851 363 E CB 0.126 29.762 29.700 -0.107 0.000 0.795 363 E HN 0.002 nan 8.360 nan 0.000 0.492 364 K N 1.044 121.280 120.400 -0.273 0.000 2.148 364 K HA 0.017 4.336 4.320 -0.001 0.000 0.204 364 K C 2.098 178.601 176.600 -0.161 0.000 1.050 364 K CA 0.701 56.819 56.287 -0.281 0.000 0.942 364 K CB -0.105 32.143 32.500 -0.420 0.000 0.724 364 K HN 0.289 nan 8.250 nan 0.000 0.446 365 L N 0.680 121.828 121.223 -0.126 0.000 2.179 365 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 365 L C 2.467 179.297 176.870 -0.067 0.000 1.096 365 L CA 0.692 55.482 54.840 -0.083 0.000 0.779 365 L CB -0.250 41.770 42.059 -0.064 0.000 0.922 365 L HN 0.096 nan 8.230 nan 0.000 0.443 366 Q N 0.298 120.057 119.800 -0.069 0.000 2.119 366 Q HA -0.202 4.138 4.340 -0.001 0.000 0.201 366 Q C 1.966 177.938 176.000 -0.047 0.000 0.972 366 Q CA 1.355 57.127 55.803 -0.052 0.000 0.847 366 Q CB -0.034 28.675 28.738 -0.048 0.000 0.903 366 Q HN 0.566 nan 8.270 nan 0.000 0.433 367 E N -0.003 120.162 120.200 -0.059 0.000 2.204 367 E HA -0.127 4.223 4.350 -0.001 0.000 0.194 367 E C 2.011 178.590 176.600 -0.035 0.000 0.989 367 E CA 0.421 56.794 56.400 -0.046 0.000 0.824 367 E CB 0.083 29.749 29.700 -0.056 0.000 0.756 367 E HN 0.207 nan 8.360 nan 0.000 0.477 368 R N 0.132 120.606 120.500 -0.044 0.000 2.119 368 R HA -0.078 4.262 4.340 -0.001 0.000 0.222 368 R C 2.515 178.800 176.300 -0.025 0.000 1.088 368 R CA 1.210 57.288 56.100 -0.036 0.000 0.984 368 R CB -0.006 30.265 30.300 -0.049 0.000 0.884 368 R HN 0.157 nan 8.270 nan 0.000 0.447 369 V N -2.643 117.255 119.914 -0.027 0.000 2.649 369 V HA 0.116 4.236 4.120 -0.001 0.000 0.248 369 V C 2.191 178.276 176.094 -0.014 0.000 1.054 369 V CA 1.298 63.586 62.300 -0.020 0.000 1.073 369 V CB -0.511 31.300 31.823 -0.021 0.000 0.699 369 V HN 0.169 nan 8.190 nan 0.000 0.463 370 A N 0.960 123.770 122.820 -0.016 0.000 1.908 370 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 370 A C 2.345 179.927 177.584 -0.004 0.000 1.181 370 A CA 2.318 54.348 52.037 -0.011 0.000 0.627 370 A CB -0.537 18.454 19.000 -0.014 0.000 0.818 370 A HN 0.608 nan 8.150 nan 0.000 0.445 371 K N -1.219 119.181 120.400 0.001 0.000 2.031 371 K HA -0.039 4.281 4.320 -0.001 0.000 0.205 371 K C 1.932 178.540 176.600 0.012 0.000 1.049 371 K CA 1.194 57.489 56.287 0.014 0.000 0.939 371 K CB -0.341 32.178 32.500 0.030 0.000 0.717 371 K HN 0.335 nan 8.250 nan 0.000 0.438 372 L N 0.906 122.132 121.223 0.005 0.000 2.005 372 L HA -0.078 4.262 4.340 -0.001 0.000 0.207 372 L C 2.192 179.062 176.870 0.000 0.000 1.072 372 L CA 1.784 56.626 54.840 0.003 0.000 0.744 372 L CB -0.660 41.396 42.059 -0.005 0.000 0.895 372 L HN 0.120 nan 8.230 nan 0.000 0.433 373 A N -1.413 121.405 122.820 -0.004 0.000 2.021 373 A HA 0.130 4.449 4.320 -0.001 0.000 0.216 373 A C 2.239 179.821 177.584 -0.004 0.000 1.163 373 A CA 0.939 52.974 52.037 -0.005 0.000 0.676 373 A CB -1.077 17.918 19.000 -0.007 0.000 0.818 373 A HN 0.467 nan 8.150 nan 0.000 0.453 374 G N -0.661 108.138 108.800 -0.003 0.000 2.408 374 G HA2 0.335 4.294 3.960 -0.001 0.000 0.217 374 G HA3 0.335 4.294 3.960 -0.001 0.000 0.217 374 G C 1.213 176.112 174.900 -0.003 0.000 1.150 374 G CA 0.780 45.878 45.100 -0.004 0.000 0.776 374 G HN 1.616 nan 8.290 nan 0.000 0.542 375 G N -1.607 107.193 108.800 -0.000 0.000 2.598 375 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.244 375 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.244 375 G C -0.607 174.292 174.900 -0.002 0.000 1.302 375 G CA -0.121 44.979 45.100 -0.000 0.000 0.903 375 G HN 1.086 nan 8.290 nan 0.000 0.575 376 V N 0.354 120.264 119.914 -0.005 0.000 2.668 376 V HA 0.702 4.822 4.120 -0.001 0.000 0.304 376 V C 0.595 176.683 176.094 -0.010 0.000 1.071 376 V CA -0.007 62.287 62.300 -0.009 0.000 0.894 376 V CB 1.440 33.256 31.823 -0.011 0.000 1.008 376 V HN 2.115 nan 8.190 nan 0.000 0.425 377 A N 4.767 127.581 122.820 -0.011 0.000 2.320 377 A HA 0.737 5.056 4.320 -0.001 0.000 0.287 377 A C -0.467 177.111 177.584 -0.009 0.000 1.181 377 A CA -0.300 51.732 52.037 -0.009 0.000 0.831 377 A CB 0.764 19.759 19.000 -0.008 0.000 1.102 377 A HN 0.730 nan 8.150 nan 0.000 0.513 378 V N 4.801 124.710 119.914 -0.008 0.000 2.370 378 V HA 0.276 4.395 4.120 -0.001 0.000 0.283 378 V C -0.080 176.011 176.094 -0.006 0.000 1.023 378 V CA -0.134 62.161 62.300 -0.008 0.000 0.857 378 V CB 1.112 32.929 31.823 -0.009 0.000 0.985 378 V HN 0.722 nan 8.190 nan 0.000 0.443 379 I N 5.336 125.904 120.570 -0.004 0.000 2.297 379 I HA 0.362 4.531 4.170 -0.001 0.000 0.291 379 I C 0.272 176.388 176.117 -0.002 0.000 1.033 379 I CA -0.367 60.932 61.300 -0.002 0.000 1.253 379 I CB 0.838 38.838 38.000 0.001 0.000 1.396 379 I HN 0.472 nan 8.210 nan 0.000 0.476 380 K N 5.787 126.185 120.400 -0.004 0.000 2.264 380 K HA 0.432 4.752 4.320 -0.001 0.000 0.277 380 K C -0.796 175.802 176.600 -0.003 0.000 1.067 380 K CA -0.519 55.766 56.287 -0.004 0.000 0.900 380 K CB 1.687 34.184 32.500 -0.005 0.000 1.124 380 K HN 0.342 nan 8.250 nan 0.000 0.469 381 V N 2.982 122.894 119.914 -0.003 0.000 2.406 381 V HA 0.282 4.402 4.120 -0.001 0.000 0.272 381 V C 0.771 176.863 176.094 -0.004 0.000 1.043 381 V CA -0.634 61.664 62.300 -0.003 0.000 0.915 381 V CB 1.168 32.989 31.823 -0.002 0.000 0.988 381 V HN 0.887 nan 8.190 nan 0.000 0.466 382 G N 3.087 111.884 108.800 -0.004 0.000 2.461 382 G HA2 0.846 4.805 3.960 -0.001 0.000 0.329 382 G HA3 0.846 4.805 3.960 -0.001 0.000 0.329 382 G C -0.556 174.341 174.900 -0.004 0.000 1.170 382 G CA 0.042 45.139 45.100 -0.004 0.000 0.935 382 G HN 1.226 nan 8.290 nan 0.000 0.492 383 A N -1.005 121.813 122.820 -0.005 0.000 2.566 383 A HA 0.762 5.081 4.320 -0.001 0.000 0.290 383 A C 0.807 178.389 177.584 -0.004 0.000 1.071 383 A CA 0.433 52.467 52.037 -0.005 0.000 0.658 383 A CB 0.425 19.422 19.000 -0.005 0.000 1.285 383 A HN 1.841 nan 8.150 nan 0.000 0.427 384 A N -0.209 122.608 122.820 -0.004 0.000 1.873 384 A HA 0.361 4.680 4.320 -0.001 0.000 0.215 384 A C 1.355 178.937 177.584 -0.004 0.000 1.186 384 A CA 2.545 54.579 52.037 -0.004 0.000 0.616 384 A CB -0.810 18.188 19.000 -0.004 0.000 0.823 384 A HN 2.020 nan 8.150 nan 0.000 0.442 385 T N -4.414 110.137 114.554 -0.004 0.000 2.927 385 T HA 0.503 4.852 4.350 -0.001 0.000 0.286 385 T C 0.584 175.281 174.700 -0.005 0.000 1.040 385 T CA -0.004 62.093 62.100 -0.004 0.000 1.010 385 T CB 1.873 70.738 68.868 -0.004 0.000 1.177 385 T HN 0.266 nan 8.240 nan 0.000 0.546 386 E N -0.223 119.975 120.200 -0.005 0.000 2.047 386 E HA -0.137 4.213 4.350 -0.001 0.000 0.191 386 E C 2.170 178.767 176.600 -0.006 0.000 0.987 386 E CA 1.506 57.903 56.400 -0.005 0.000 0.799 386 E CB -0.261 29.436 29.700 -0.005 0.000 0.752 386 E HN 0.584 nan 8.360 nan 0.000 0.449 387 V N -0.359 119.552 119.914 -0.005 0.000 2.392 387 V HA -0.245 3.874 4.120 -0.001 0.000 0.249 387 V C 1.911 178.001 176.094 -0.007 0.000 1.059 387 V CA 2.110 64.406 62.300 -0.006 0.000 1.051 387 V CB -0.818 31.001 31.823 -0.006 0.000 0.658 387 V HN 0.182 nan 8.190 nan 0.000 0.455 388 E N -0.390 119.806 120.200 -0.006 0.000 2.150 388 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 388 E C 2.163 178.759 176.600 -0.007 0.000 0.985 388 E CA 1.403 57.799 56.400 -0.006 0.000 0.814 388 E CB -0.209 29.488 29.700 -0.006 0.000 0.752 388 E HN 0.525 nan 8.360 nan 0.000 0.466 389 M N 0.982 120.579 119.600 -0.006 0.000 2.099 389 M HA -0.146 4.333 4.480 -0.001 0.000 0.262 389 M C 1.719 178.015 176.300 -0.007 0.000 1.067 389 M CA 1.499 56.795 55.300 -0.006 0.000 1.124 389 M CB -0.089 32.507 32.600 -0.006 0.000 1.353 389 M HN -0.107 nan 8.290 nan 0.000 0.410 390 K N 0.124 120.519 120.400 -0.007 0.000 2.057 390 K HA -0.156 4.163 4.320 -0.001 0.000 0.207 390 K C 1.915 178.509 176.600 -0.010 0.000 1.049 390 K CA 1.075 57.357 56.287 -0.008 0.000 0.931 390 K CB -0.667 31.828 32.500 -0.009 0.000 0.714 390 K HN 0.414 nan 8.250 nan 0.000 0.440 391 E N 1.579 121.773 120.200 -0.010 0.000 2.110 391 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 391 E C 1.955 178.548 176.600 -0.012 0.000 0.988 391 E CA 1.208 57.601 56.400 -0.012 0.000 0.804 391 E CB 0.136 29.829 29.700 -0.011 0.000 0.745 391 E HN 0.208 nan 8.360 nan 0.000 0.458 392 K N 0.738 121.132 120.400 -0.009 0.000 2.062 392 K HA -0.125 4.195 4.320 -0.001 0.000 0.205 392 K C 2.326 178.921 176.600 -0.008 0.000 1.051 392 K CA 1.142 57.424 56.287 -0.008 0.000 0.941 392 K CB -0.053 32.443 32.500 -0.007 0.000 0.719 392 K HN -0.102 nan 8.250 nan 0.000 0.440 393 K N 0.375 120.771 120.400 -0.007 0.000 2.063 393 K HA -0.183 4.137 4.320 -0.001 0.000 0.208 393 K C 1.958 178.553 176.600 -0.008 0.000 1.048 393 K CA 1.423 57.708 56.287 -0.005 0.000 0.928 393 K CB -0.206 32.291 32.500 -0.005 0.000 0.713 393 K HN 0.214 nan 8.250 nan 0.000 0.442 394 A N 1.580 124.392 122.820 -0.013 0.000 1.865 394 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 394 A C 2.151 179.718 177.584 -0.027 0.000 1.191 394 A CA 1.624 53.648 52.037 -0.023 0.000 0.623 394 A CB -0.545 18.440 19.000 -0.025 0.000 0.826 394 A HN 0.353 nan 8.150 nan 0.000 0.444 395 R N -0.792 119.696 120.500 -0.021 0.000 2.120 395 R HA -0.071 4.268 4.340 -0.001 0.000 0.234 395 R C 2.046 178.339 176.300 -0.012 0.000 1.123 395 R CA 1.348 57.437 56.100 -0.019 0.000 0.975 395 R CB -0.487 29.804 30.300 -0.015 0.000 0.866 395 R HN 0.425 nan 8.270 nan 0.000 0.446 396 V N 1.096 121.008 119.914 -0.004 0.000 2.295 396 V HA -0.238 3.882 4.120 -0.001 0.000 0.246 396 V C 1.990 178.096 176.094 0.021 0.000 1.049 396 V CA 1.804 64.108 62.300 0.007 0.000 1.024 396 V CB -0.408 31.420 31.823 0.007 0.000 0.648 396 V HN 0.348 nan 8.190 nan 0.000 0.447 397 E N -0.239 119.971 120.200 0.016 0.000 2.085 397 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 397 E C 2.024 178.638 176.600 0.024 0.000 0.994 397 E CA 1.500 57.925 56.400 0.042 0.000 0.801 397 E CB -0.157 29.549 29.700 0.010 0.000 0.743 397 E HN 0.584 nan 8.360 nan 0.000 0.453 398 D N -0.109 120.253 120.400 -0.063 0.000 2.149 398 D HA -0.073 4.566 4.640 -0.001 0.000 0.201 398 D C 1.821 178.116 176.300 -0.008 0.000 0.972 398 D CA 0.982 54.915 54.000 -0.111 0.000 0.835 398 D CB -0.001 40.736 40.800 -0.104 0.000 0.966 398 D HN 0.131 nan 8.370 nan 0.000 0.476 399 A N 0.602 123.431 122.820 0.014 0.000 2.015 399 A HA -0.098 4.221 4.320 -0.001 0.000 0.219 399 A C 2.120 179.738 177.584 0.058 0.000 1.163 399 A CA 0.632 52.686 52.037 0.029 0.000 0.646 399 A CB -0.388 18.620 19.000 0.015 0.000 0.806 399 A HN 0.202 nan 8.150 nan 0.000 0.448 400 L N -0.750 120.526 121.223 0.088 0.000 2.072 400 L HA -0.103 4.236 4.340 -0.001 0.000 0.205 400 L C 2.335 179.274 176.870 0.116 0.000 1.079 400 L CA 1.955 56.850 54.840 0.092 0.000 0.752 400 L CB -0.729 41.384 42.059 0.090 0.000 0.906 400 L HN 0.536 nan 8.230 nan 0.000 0.436 401 H N -0.772 118.295 119.070 -0.004 0.000 2.289 401 H HA -0.189 4.367 4.556 -0.001 0.000 0.296 401 H C 2.069 177.398 175.328 0.001 0.000 1.091 401 H CA 1.320 57.367 56.048 -0.002 0.000 1.274 401 H CB -0.102 29.659 29.762 -0.002 0.000 1.364 401 H HN 0.533 nan 8.280 nan 0.000 0.490 402 A N 0.614 123.521 122.820 0.145 0.000 1.883 402 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 402 A C 2.593 180.206 177.584 0.048 0.000 1.186 402 A CA 2.235 54.317 52.037 0.075 0.000 0.624 402 A CB -0.954 18.076 19.000 0.049 0.000 0.822 402 A HN 0.375 nan 8.150 nan 0.000 0.444 403 T N -0.678 113.901 114.554 0.042 0.000 2.674 403 T HA -0.141 4.208 4.350 -0.001 0.000 0.265 403 T C 2.105 176.814 174.700 0.015 0.000 1.039 403 T CA 1.744 63.858 62.100 0.024 0.000 1.150 403 T CB -0.266 68.615 68.868 0.020 0.000 0.864 403 T HN 0.552 nan 8.240 nan 0.000 0.427 404 R N 1.941 122.447 120.500 0.009 0.000 2.096 404 R HA -0.054 4.285 4.340 -0.001 0.000 0.240 404 R C 2.290 178.588 176.300 -0.004 0.000 1.139 404 R CA 2.049 58.143 56.100 -0.010 0.000 0.952 404 R CB -0.991 29.284 30.300 -0.042 0.000 0.854 404 R HN 0.350 nan 8.270 nan 0.000 0.436 405 A N 0.022 122.847 122.820 0.007 0.000 1.930 405 A HA 0.064 4.383 4.320 -0.001 0.000 0.217 405 A C 2.396 179.989 177.584 0.017 0.000 1.175 405 A CA 1.567 53.613 52.037 0.015 0.000 0.627 405 A CB -0.987 18.032 19.000 0.030 0.000 0.815 405 A HN 0.525 nan 8.150 nan 0.000 0.443 406 A N -0.425 122.406 122.820 0.018 0.000 1.902 406 A HA -0.010 4.309 4.320 -0.001 0.000 0.217 406 A C 2.190 179.780 177.584 0.011 0.000 1.181 406 A CA 1.711 53.758 52.037 0.016 0.000 0.623 406 A CB -0.984 18.026 19.000 0.016 0.000 0.818 406 A HN 0.388 nan 8.150 nan 0.000 0.443 407 V N 1.264 121.183 119.914 0.008 0.000 2.324 407 V HA -0.322 3.797 4.120 -0.001 0.000 0.250 407 V C 2.542 178.639 176.094 0.005 0.000 1.060 407 V CA 2.491 64.794 62.300 0.005 0.000 1.042 407 V CB -0.925 30.899 31.823 0.001 0.000 0.650 407 V HN 0.910 nan 8.190 nan 0.000 0.450 408 E N -0.540 119.663 120.200 0.005 0.000 2.276 408 E HA -0.060 4.289 4.350 -0.001 0.000 0.193 408 E C 1.463 178.068 176.600 0.008 0.000 0.983 408 E CA 0.851 57.254 56.400 0.005 0.000 0.861 408 E CB -0.013 29.689 29.700 0.003 0.000 0.817 408 E HN 0.667 nan 8.360 nan 0.000 0.485 409 E N 0.470 120.676 120.200 0.011 0.000 2.606 409 E HA 0.236 4.586 4.350 -0.001 0.000 0.224 409 E C 0.412 177.020 176.600 0.013 0.000 0.930 409 E CA 0.146 56.553 56.400 0.012 0.000 1.125 409 E CB 1.619 31.327 29.700 0.014 0.000 1.123 409 E HN 0.291 nan 8.360 nan 0.000 0.522 410 G N 1.273 110.081 108.800 0.013 0.000 2.582 410 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.222 410 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.222 410 G C -0.609 174.301 174.900 0.016 0.000 1.311 410 G CA -0.510 44.598 45.100 0.014 0.000 0.915 410 G HN 0.411 nan 8.290 nan 0.000 0.528 411 V N -2.523 117.401 119.914 0.016 0.000 2.709 411 V HA 0.917 5.037 4.120 -0.001 0.000 0.308 411 V C 0.560 176.666 176.094 0.020 0.000 1.062 411 V CA -0.065 62.246 62.300 0.018 0.000 0.901 411 V CB 0.952 32.784 31.823 0.015 0.000 1.003 411 V HN 2.282 nan 8.190 nan 0.000 0.425 412 V N 0.981 120.909 119.914 0.023 0.000 3.103 412 V HA 1.023 5.142 4.120 -0.001 0.000 0.318 412 V C 0.662 176.774 176.094 0.030 0.000 1.114 412 V CA -0.590 61.726 62.300 0.028 0.000 1.020 412 V CB 1.537 33.378 31.823 0.030 0.000 1.085 412 V HN 1.786 nan 8.190 nan 0.000 0.446 413 A N 1.083 123.926 122.820 0.038 0.000 2.492 413 A HA 0.652 4.972 4.320 -0.001 0.000 0.254 413 A C 0.844 178.455 177.584 0.045 0.000 1.091 413 A CA 0.516 52.578 52.037 0.042 0.000 0.768 413 A CB -0.490 18.545 19.000 0.059 0.000 1.028 413 A HN 1.787 nan 8.150 nan 0.000 0.498 414 G N 0.788 109.610 108.800 0.037 0.000 2.494 414 G HA2 0.504 4.464 3.960 -0.001 0.000 0.270 414 G HA3 0.504 4.464 3.960 -0.001 0.000 0.270 414 G C 1.163 176.097 174.900 0.058 0.000 1.423 414 G CA -0.044 45.079 45.100 0.038 0.000 1.055 414 G HN 2.227 nan 8.290 nan 0.000 0.536 415 G N -2.298 106.535 108.800 0.054 0.000 2.155 415 G HA2 0.205 4.165 3.960 -0.001 0.000 0.257 415 G HA3 0.205 4.165 3.960 -0.001 0.000 0.257 415 G C 1.533 176.488 174.900 0.091 0.000 0.983 415 G CA 1.164 46.314 45.100 0.082 0.000 0.676 415 G HN 2.505 nan 8.290 nan 0.000 0.528 416 G N -2.176 106.664 108.800 0.065 0.000 2.162 416 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.260 416 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.260 416 G C 1.820 176.752 174.900 0.055 0.000 0.976 416 G CA 1.929 47.061 45.100 0.054 0.000 0.655 416 G HN 2.245 nan 8.290 nan 0.000 0.533 417 V N -2.459 117.499 119.914 0.073 0.000 2.871 417 V HA 0.489 4.608 4.120 -0.001 0.000 0.256 417 V C 2.641 178.772 176.094 0.061 0.000 1.082 417 V CA 1.720 64.064 62.300 0.074 0.000 1.105 417 V CB -0.441 31.453 31.823 0.119 0.000 0.713 417 V HN 1.293 nan 8.190 nan 0.000 0.473 418 A N 1.091 123.944 122.820 0.055 0.000 1.855 418 A HA -0.017 4.302 4.320 -0.001 0.000 0.215 418 A C 2.214 179.820 177.584 0.036 0.000 1.191 418 A CA 2.090 54.154 52.037 0.045 0.000 0.613 418 A CB -0.754 18.271 19.000 0.040 0.000 0.829 418 A HN 0.543 nan 8.150 nan 0.000 0.442 419 L N -0.442 120.801 121.223 0.032 0.000 2.043 419 L HA -0.227 4.113 4.340 -0.001 0.000 0.212 419 L C 2.544 179.427 176.870 0.021 0.000 1.075 419 L CA 1.419 56.274 54.840 0.025 0.000 0.752 419 L CB -0.505 41.569 42.059 0.025 0.000 0.891 419 L HN 0.415 nan 8.230 nan 0.000 0.432 420 I N -0.690 119.893 120.570 0.022 0.000 2.252 420 I HA -0.281 3.889 4.170 -0.001 0.000 0.245 420 I C 2.760 178.887 176.117 0.017 0.000 1.102 420 I CA 0.943 62.252 61.300 0.015 0.000 1.385 420 I CB -0.229 37.776 38.000 0.009 0.000 1.064 420 I HN 0.225 nan 8.210 nan 0.000 0.414 421 R N 0.813 121.330 120.500 0.027 0.000 2.096 421 R HA -0.104 4.235 4.340 -0.001 0.000 0.235 421 R C 2.011 178.324 176.300 0.022 0.000 1.127 421 R CA 1.326 57.443 56.100 0.029 0.000 0.968 421 R CB -0.559 29.769 30.300 0.046 0.000 0.861 421 R HN 0.134 nan 8.270 nan 0.000 0.440 422 V N 0.203 120.130 119.914 0.021 0.000 2.591 422 V HA -0.046 4.074 4.120 -0.001 0.000 0.249 422 V C 2.091 178.191 176.094 0.011 0.000 1.053 422 V CA 1.599 63.908 62.300 0.016 0.000 1.068 422 V CB -0.209 31.623 31.823 0.017 0.000 0.689 422 V HN 0.522 nan 8.190 nan 0.000 0.462 423 A N 0.409 123.235 122.820 0.010 0.000 1.968 423 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 423 A C 2.444 180.030 177.584 0.003 0.000 1.169 423 A CA 1.684 53.725 52.037 0.006 0.000 0.638 423 A CB -0.478 18.525 19.000 0.006 0.000 0.812 423 A HN 0.648 nan 8.150 nan 0.000 0.446 424 S N -0.198 115.504 115.700 0.003 0.000 2.423 424 S HA -0.067 4.402 4.470 -0.001 0.000 0.231 424 S C 1.673 176.272 174.600 -0.001 0.000 1.014 424 S CA 0.983 59.182 58.200 -0.001 0.000 0.965 424 S CB -0.147 63.051 63.200 -0.002 0.000 0.785 424 S HN 0.382 nan 8.310 nan 0.000 0.495 425 K N 1.263 121.664 120.400 0.002 0.000 2.283 425 K HA 0.199 4.518 4.320 -0.001 0.000 0.202 425 K C 1.055 177.655 176.600 0.001 0.000 1.048 425 K CA 0.602 56.891 56.287 0.002 0.000 0.948 425 K CB -0.354 32.150 32.500 0.005 0.000 0.742 425 K HN 0.483 nan 8.250 nan 0.000 0.458 426 L N -0.125 121.098 121.223 0.001 0.000 3.017 426 L HA 0.248 4.587 4.340 -0.001 0.000 0.255 426 L C 1.599 178.469 176.870 -0.001 0.000 1.247 426 L CA -0.252 54.588 54.840 0.000 0.000 1.038 426 L CB 0.234 42.293 42.059 0.001 0.000 1.380 426 L HN -0.115 nan 8.230 nan 0.000 0.548 427 A N 0.136 122.955 122.820 -0.002 0.000 1.940 427 A HA -0.200 4.120 4.320 -0.001 0.000 0.219 427 A C 1.607 179.189 177.584 -0.003 0.000 1.176 427 A CA 1.850 53.885 52.037 -0.003 0.000 0.631 427 A CB -0.175 18.823 19.000 -0.005 0.000 0.814 427 A HN 0.384 nan 8.150 nan 0.000 0.446 428 D N -1.194 119.204 120.400 -0.003 0.000 2.339 428 D HA 0.159 4.799 4.640 -0.001 0.000 0.217 428 D C 0.151 176.449 176.300 -0.002 0.000 1.050 428 D CA -0.160 53.838 54.000 -0.003 0.000 0.856 428 D CB -0.084 40.714 40.800 -0.003 0.000 0.922 428 D HN 0.362 nan 8.370 nan 0.000 0.518 429 L N 2.065 123.287 121.223 -0.002 0.000 2.418 429 L HA 0.121 4.460 4.340 -0.001 0.000 0.274 429 L C 0.059 176.928 176.870 -0.001 0.000 1.135 429 L CA 0.317 55.157 54.840 -0.001 0.000 0.870 429 L CB 0.162 42.221 42.059 -0.001 0.000 1.154 429 L HN -0.267 nan 8.230 nan 0.000 0.462 430 R N 3.517 124.016 120.500 -0.001 0.000 2.854 430 R HA 0.678 5.017 4.340 -0.001 0.000 0.271 430 R C -0.010 176.289 176.300 -0.001 0.000 0.996 430 R CA -0.352 55.747 56.100 -0.001 0.000 0.961 430 R CB 1.544 31.843 30.300 -0.001 0.000 1.182 430 R HN 0.793 nan 8.270 nan 0.000 0.479 431 G N -0.175 108.625 108.800 -0.000 0.000 2.857 431 G HA2 0.170 4.129 3.960 -0.001 0.000 0.217 431 G HA3 0.170 4.129 3.960 -0.001 0.000 0.217 431 G C 0.166 175.066 174.900 -0.000 0.000 1.357 431 G CA -0.161 44.939 45.100 -0.000 0.000 1.033 431 G HN 0.446 nan 8.290 nan 0.000 0.571 432 Q N -0.716 119.084 119.800 0.000 0.000 2.250 432 Q HA 0.109 4.448 4.340 -0.001 0.000 0.200 432 Q C 0.152 176.152 176.000 0.000 0.000 0.941 432 Q CA 0.752 56.555 55.803 0.000 0.000 0.872 432 Q CB 0.199 28.937 28.738 0.000 0.000 0.965 432 Q HN 0.641 nan 8.270 nan 0.000 0.480 433 N N -1.671 117.029 118.700 0.001 0.000 2.629 433 N HA 0.069 4.809 4.740 -0.001 0.000 0.279 433 N C 0.004 175.514 175.510 0.001 0.000 1.344 433 N CA -0.510 52.541 53.050 0.001 0.000 0.789 433 N CB 0.549 39.037 38.487 0.001 0.000 1.508 433 N HN -0.286 nan 8.380 nan 0.000 0.516 434 E N -0.292 119.908 120.200 0.001 0.000 2.153 434 E HA -0.166 4.183 4.350 -0.001 0.000 0.194 434 E C 0.417 177.018 176.600 0.001 0.000 0.988 434 E CA 1.489 57.889 56.400 0.001 0.000 0.811 434 E CB -0.326 29.374 29.700 0.000 0.000 0.746 434 E HN 0.604 nan 8.360 nan 0.000 0.466 435 D N 0.145 120.546 120.400 0.002 0.000 2.097 435 D HA -0.154 4.486 4.640 -0.001 0.000 0.195 435 D C 1.871 178.172 176.300 0.003 0.000 0.989 435 D CA 1.091 55.092 54.000 0.002 0.000 0.827 435 D CB -0.229 40.573 40.800 0.003 0.000 0.966 435 D HN 0.388 nan 8.370 nan 0.000 0.456 436 Q N 0.119 119.921 119.800 0.002 0.000 2.170 436 Q HA -0.112 4.228 4.340 -0.001 0.000 0.203 436 Q C 1.738 177.739 176.000 0.002 0.000 0.976 436 Q CA 0.717 56.521 55.803 0.002 0.000 0.858 436 Q CB -0.060 28.679 28.738 0.001 0.000 0.907 436 Q HN 0.243 nan 8.270 nan 0.000 0.433 437 N N 0.096 118.796 118.700 0.001 0.000 2.166 437 N HA -0.115 4.625 4.740 -0.001 0.000 0.186 437 N C 1.790 177.301 175.510 0.001 0.000 1.019 437 N CA 0.950 54.000 53.050 0.001 0.000 0.856 437 N CB -0.243 38.244 38.487 0.000 0.000 0.993 437 N HN 0.048 nan 8.380 nan 0.000 0.426 438 V N 0.533 120.448 119.914 0.002 0.000 2.453 438 V HA -0.084 4.035 4.120 -0.001 0.000 0.247 438 V C 2.395 178.490 176.094 0.003 0.000 1.048 438 V CA 1.837 64.139 62.300 0.002 0.000 1.049 438 V CB -1.181 30.643 31.823 0.003 0.000 0.672 438 V HN 0.324 nan 8.190 nan 0.000 0.457 439 G N 0.134 108.936 108.800 0.003 0.000 2.440 439 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.218 439 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.218 439 G C 1.577 176.479 174.900 0.003 0.000 1.154 439 G CA 1.159 46.262 45.100 0.004 0.000 0.767 439 G HN 0.479 nan 8.290 nan 0.000 0.552 440 I N 0.308 120.879 120.570 0.002 0.000 2.142 440 I HA -0.153 4.016 4.170 -0.001 0.000 0.240 440 I C 2.736 178.855 176.117 0.002 0.000 1.078 440 I CA 1.143 62.444 61.300 0.002 0.000 1.343 440 I CB -0.116 37.885 38.000 0.001 0.000 1.046 440 I HN 0.015 nan 8.210 nan 0.000 0.405 441 K N 0.515 120.916 120.400 0.002 0.000 2.097 441 K HA -0.081 4.238 4.320 -0.001 0.000 0.206 441 K C 2.124 178.726 176.600 0.003 0.000 1.049 441 K CA 0.978 57.266 56.287 0.002 0.000 0.933 441 K CB -0.695 31.806 32.500 0.001 0.000 0.717 441 K HN 0.218 nan 8.250 nan 0.000 0.442 442 V N 1.728 121.644 119.914 0.004 0.000 2.287 442 V HA -0.279 3.840 4.120 -0.001 0.000 0.248 442 V C 2.487 178.585 176.094 0.006 0.000 1.053 442 V CA 2.110 64.413 62.300 0.005 0.000 1.027 442 V CB -0.782 31.045 31.823 0.006 0.000 0.646 442 V HN 0.312 nan 8.190 nan 0.000 0.447 443 A N -0.356 122.467 122.820 0.006 0.000 1.873 443 A HA -0.111 4.208 4.320 -0.001 0.000 0.215 443 A C 2.166 179.754 177.584 0.006 0.000 1.186 443 A CA 1.638 53.679 52.037 0.007 0.000 0.616 443 A CB -0.515 18.488 19.000 0.005 0.000 0.823 443 A HN 0.510 nan 8.150 nan 0.000 0.442 444 L N -1.201 120.025 121.223 0.005 0.000 2.131 444 L HA -0.161 4.179 4.340 -0.001 0.000 0.210 444 L C 2.800 179.673 176.870 0.004 0.000 1.092 444 L CA 1.248 56.091 54.840 0.004 0.000 0.759 444 L CB -0.467 41.594 42.059 0.002 0.000 0.903 444 L HN 0.348 nan 8.230 nan 0.000 0.435 445 R N -0.018 120.485 120.500 0.004 0.000 2.090 445 R HA -0.040 4.300 4.340 -0.001 0.000 0.228 445 R C 2.507 178.811 176.300 0.006 0.000 1.110 445 R CA 1.131 57.234 56.100 0.004 0.000 0.973 445 R CB -0.385 29.918 30.300 0.004 0.000 0.869 445 R HN 0.313 nan 8.270 nan 0.000 0.440 446 A N 0.967 123.792 122.820 0.008 0.000 1.933 446 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 446 A C 2.058 179.649 177.584 0.013 0.000 1.175 446 A CA 1.296 53.340 52.037 0.011 0.000 0.628 446 A CB -0.416 18.592 19.000 0.013 0.000 0.814 446 A HN 0.207 nan 8.150 nan 0.000 0.444 447 M N -0.507 119.100 119.600 0.012 0.000 2.539 447 M HA -0.125 4.355 4.480 -0.001 0.000 0.261 447 M C 1.503 177.811 176.300 0.013 0.000 1.069 447 M CA 1.073 56.382 55.300 0.014 0.000 1.081 447 M CB -0.250 32.358 32.600 0.012 0.000 1.412 447 M HN 0.485 nan 8.290 nan 0.000 0.482 448 E N 0.181 120.386 120.200 0.010 0.000 2.318 448 E HA 0.001 4.350 4.350 -0.001 0.000 0.193 448 E C 2.147 178.753 176.600 0.009 0.000 0.998 448 E CA 0.598 57.002 56.400 0.007 0.000 0.859 448 E CB 0.012 29.713 29.700 0.002 0.000 0.812 448 E HN 0.497 nan 8.360 nan 0.000 0.492 449 A N 2.553 125.381 122.820 0.012 0.000 1.873 449 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 449 A C -0.299 177.295 177.584 0.017 0.000 1.193 449 A CA 1.462 53.507 52.037 0.014 0.000 0.629 449 A CB -1.547 17.462 19.000 0.015 0.000 0.826 449 A HN 0.128 nan 8.150 nan 0.000 0.447 450 P HA -0.198 nan 4.420 nan 0.000 0.213 450 P C 1.869 179.186 177.300 0.028 0.000 1.170 450 P CA 1.286 64.401 63.100 0.025 0.000 0.902 450 P CB -0.186 31.531 31.700 0.028 0.000 0.789 451 L N -0.761 120.479 121.223 0.028 0.000 2.042 451 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 451 L C 2.478 179.361 176.870 0.022 0.000 1.076 451 L CA 1.793 56.652 54.840 0.031 0.000 0.749 451 L CB -0.373 41.696 42.059 0.018 0.000 0.893 451 L HN -0.181 nan 8.230 nan 0.000 0.432 452 R N -0.756 119.752 120.500 0.012 0.000 2.105 452 R HA -0.243 4.096 4.340 -0.001 0.000 0.239 452 R C 2.327 178.637 176.300 0.017 0.000 1.135 452 R CA 1.850 57.955 56.100 0.009 0.000 0.967 452 R CB -0.357 29.946 30.300 0.005 0.000 0.861 452 R HN 0.443 nan 8.270 nan 0.000 0.442 453 Q N 0.981 120.793 119.800 0.020 0.000 2.049 453 Q HA -0.055 4.285 4.340 -0.001 0.000 0.198 453 Q C 1.900 177.917 176.000 0.028 0.000 0.971 453 Q CA 1.366 57.182 55.803 0.022 0.000 0.833 453 Q CB -0.114 28.636 28.738 0.020 0.000 0.896 453 Q HN 0.291 nan 8.270 nan 0.000 0.434 454 I N -0.442 120.149 120.570 0.035 0.000 2.145 454 I HA -0.332 3.838 4.170 -0.001 0.000 0.244 454 I C 2.015 178.165 176.117 0.055 0.000 1.075 454 I CA 1.282 62.610 61.300 0.046 0.000 1.332 454 I CB -0.375 37.663 38.000 0.062 0.000 1.033 454 I HN 0.090 nan 8.210 nan 0.000 0.410 455 V N 0.328 120.278 119.914 0.060 0.000 2.427 455 V HA -0.249 3.870 4.120 -0.001 0.000 0.248 455 V C 2.302 178.423 176.094 0.045 0.000 1.051 455 V CA 1.429 63.768 62.300 0.065 0.000 1.048 455 V CB -0.553 31.298 31.823 0.047 0.000 0.666 455 V HN 0.360 nan 8.190 nan 0.000 0.456 456 L N 0.943 122.185 121.223 0.032 0.000 2.093 456 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 456 L C 2.108 178.992 176.870 0.024 0.000 1.085 456 L CA 1.813 56.667 54.840 0.024 0.000 0.755 456 L CB -0.899 41.171 42.059 0.019 0.000 0.904 456 L HN 0.304 nan 8.230 nan 0.000 0.435 457 N N -1.210 117.505 118.700 0.025 0.000 2.309 457 N HA -0.130 4.609 4.740 -0.001 0.000 0.182 457 N C 1.626 177.149 175.510 0.021 0.000 1.018 457 N CA 1.525 54.587 53.050 0.020 0.000 0.876 457 N CB -0.629 37.869 38.487 0.019 0.000 0.972 457 N HN 0.413 nan 8.380 nan 0.000 0.434 458 C N -0.589 118.728 119.300 0.029 0.000 2.626 458 C HA 0.364 4.824 4.460 -0.001 0.000 0.266 458 C C 1.533 176.539 174.990 0.028 0.000 1.317 458 C CA -0.019 59.016 59.018 0.028 0.000 1.716 458 C CB -1.040 26.724 27.740 0.040 0.000 1.819 458 C HN 0.576 nan 8.230 nan 0.000 0.578 459 G N 1.510 110.326 108.800 0.027 0.000 2.182 459 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.248 459 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.248 459 G C -0.390 174.528 174.900 0.030 0.000 1.042 459 G CA 0.080 45.195 45.100 0.024 0.000 0.775 459 G HN 0.523 nan 8.290 nan 0.000 0.501 460 E N -0.010 120.213 120.200 0.038 0.000 2.263 460 E HA 0.389 4.738 4.350 -0.001 0.000 0.264 460 E C 0.144 176.764 176.600 0.034 0.000 0.923 460 E CA -0.868 55.559 56.400 0.043 0.000 0.802 460 E CB 1.027 30.767 29.700 0.067 0.000 1.228 460 E HN 0.486 nan 8.360 nan 0.000 0.417 461 E N 2.307 122.525 120.200 0.029 0.000 2.328 461 E HA 0.028 4.378 4.350 -0.001 0.000 0.265 461 E C -1.580 175.027 176.600 0.012 0.000 1.057 461 E CA -1.350 55.061 56.400 0.019 0.000 0.916 461 E CB 0.534 30.243 29.700 0.016 0.000 0.993 461 E HN 0.113 nan 8.360 nan 0.000 0.446 462 P HA -0.143 nan 4.420 nan 0.000 0.219 462 P C 0.925 178.218 177.300 -0.010 0.000 1.146 462 P CA 1.033 64.134 63.100 0.001 0.000 0.808 462 P CB 0.378 32.081 31.700 0.005 0.000 0.779 463 S N -1.309 114.387 115.700 -0.006 0.000 2.425 463 S HA -0.039 4.430 4.470 -0.001 0.000 0.225 463 S C 1.862 176.452 174.600 -0.016 0.000 1.024 463 S CA 0.661 58.855 58.200 -0.011 0.000 0.951 463 S CB -0.776 62.421 63.200 -0.005 0.000 0.796 463 S HN -0.050 nan 8.310 nan 0.000 0.498 464 V N 1.294 121.201 119.914 -0.011 0.000 2.270 464 V HA -0.111 4.008 4.120 -0.001 0.000 0.245 464 V C 2.311 178.388 176.094 -0.028 0.000 1.043 464 V CA 1.415 63.709 62.300 -0.010 0.000 1.014 464 V CB -0.841 30.986 31.823 0.007 0.000 0.645 464 V HN 0.310 nan 8.190 nan 0.000 0.447 465 V N 0.504 120.391 119.914 -0.045 0.000 2.287 465 V HA -0.301 3.818 4.120 -0.001 0.000 0.248 465 V C 2.788 178.796 176.094 -0.144 0.000 1.053 465 V CA 2.155 64.379 62.300 -0.126 0.000 1.027 465 V CB -1.303 30.412 31.823 -0.180 0.000 0.646 465 V HN 0.558 nan 8.190 nan 0.000 0.447 466 A N 0.591 123.355 122.820 -0.093 0.000 1.884 466 A HA -0.381 3.939 4.320 -0.001 0.000 0.219 466 A C 2.072 179.623 177.584 -0.055 0.000 1.197 466 A CA 2.735 54.731 52.037 -0.068 0.000 0.637 466 A CB -1.067 17.910 19.000 -0.039 0.000 0.827 466 A HN 0.658 nan 8.150 nan 0.000 0.450 467 N N -0.863 117.810 118.700 -0.044 0.000 2.104 467 N HA -0.140 4.600 4.740 -0.001 0.000 0.190 467 N C 1.645 177.127 175.510 -0.046 0.000 1.024 467 N CA 2.487 55.514 53.050 -0.038 0.000 0.853 467 N CB -0.413 38.056 38.487 -0.029 0.000 1.008 467 N HN 0.449 nan 8.380 nan 0.000 0.424 468 T N -0.609 113.913 114.554 -0.054 0.000 2.737 468 T HA -0.055 4.295 4.350 -0.001 0.000 0.265 468 T C 1.978 176.651 174.700 -0.045 0.000 1.038 468 T CA 1.240 63.306 62.100 -0.056 0.000 1.144 468 T CB -0.485 68.367 68.868 -0.028 0.000 0.866 468 T HN 0.029 nan 8.240 nan 0.000 0.434 469 V N 1.652 121.536 119.914 -0.051 0.000 2.332 469 V HA -0.195 3.925 4.120 -0.001 0.000 0.248 469 V C 2.538 178.631 176.094 -0.002 0.000 1.055 469 V CA 1.550 63.845 62.300 -0.008 0.000 1.038 469 V CB -0.531 31.259 31.823 -0.055 0.000 0.651 469 V HN 0.452 nan 8.190 nan 0.000 0.450 470 K N 0.132 120.519 120.400 -0.023 0.000 2.113 470 K HA -0.174 4.146 4.320 -0.001 0.000 0.208 470 K C 1.916 178.498 176.600 -0.029 0.000 1.047 470 K CA 1.568 57.843 56.287 -0.020 0.000 0.928 470 K CB -0.542 31.943 32.500 -0.024 0.000 0.716 470 K HN 0.586 nan 8.250 nan 0.000 0.446 471 G N 0.443 109.215 108.800 -0.046 0.000 3.026 471 G HA2 0.070 4.029 3.960 -0.001 0.000 0.208 471 G HA3 0.070 4.029 3.960 -0.001 0.000 0.208 471 G C 0.376 175.217 174.900 -0.097 0.000 1.169 471 G CA 0.114 45.173 45.100 -0.069 0.000 0.788 471 G HN 0.288 nan 8.290 nan 0.000 0.533 472 G N -0.621 108.139 108.800 -0.067 0.000 2.491 472 G HA2 0.531 4.491 3.960 -0.001 0.000 0.327 472 G HA3 0.531 4.491 3.960 -0.001 0.000 0.327 472 G C -1.331 173.543 174.900 -0.044 0.000 1.189 472 G CA -0.541 44.507 45.100 -0.086 0.000 0.956 472 G HN 0.056 nan 8.290 nan 0.000 0.491 473 D N -0.916 119.457 120.400 -0.045 0.000 2.457 473 D HA 0.537 5.177 4.640 -0.001 0.000 0.240 473 D C 1.020 177.378 176.300 0.096 0.000 1.041 473 D CA 0.733 54.738 54.000 0.007 0.000 0.861 473 D CB 1.840 42.619 40.800 -0.035 0.000 1.394 473 D HN 0.805 nan 8.370 nan 0.000 0.473 474 G N 2.974 111.820 108.800 0.077 0.000 2.634 474 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.318 474 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.318 474 G C 0.050 175.017 174.900 0.111 0.000 1.207 474 G CA 0.266 45.419 45.100 0.089 0.000 0.987 474 G HN 0.588 nan 8.290 nan 0.000 0.547 475 N N -0.219 118.558 118.700 0.128 0.000 2.914 475 N HA 0.454 5.194 4.740 -0.001 0.000 0.304 475 N C -0.808 174.792 175.510 0.150 0.000 1.727 475 N CA -0.237 52.883 53.050 0.117 0.000 0.986 475 N CB 0.711 39.239 38.487 0.069 0.000 1.297 475 N HN 0.482 nan 8.380 nan 0.000 0.490 476 Y N 0.899 121.252 120.300 0.088 0.000 2.402 476 Y HA 0.304 4.853 4.550 -0.001 0.000 0.333 476 Y C 1.299 177.309 175.900 0.184 0.000 1.076 476 Y CA -0.653 57.521 58.100 0.122 0.000 1.299 476 Y CB 0.782 39.312 38.460 0.118 0.000 1.197 476 Y HN 0.348 nan 8.280 nan 0.000 0.517 477 G N 6.560 115.149 108.800 -0.351 0.000 2.624 477 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.292 477 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.292 477 G C -1.024 173.845 174.900 -0.052 0.000 0.777 477 G CA -0.169 44.821 45.100 -0.184 0.000 1.883 477 G HN 0.671 nan 8.290 nan 0.000 0.505 478 Y N 3.602 123.838 120.300 -0.106 0.000 2.425 478 Y HA 0.321 4.870 4.550 -0.001 0.000 0.347 478 Y C 0.208 175.935 175.900 -0.289 0.000 0.976 478 Y CA -1.875 56.011 58.100 -0.357 0.000 1.190 478 Y CB 0.743 39.177 38.460 -0.044 0.000 1.136 478 Y HN 0.369 nan 8.280 nan 0.000 0.517 479 N N 4.878 123.058 118.700 -0.867 0.000 2.406 479 N HA 0.079 4.818 4.740 -0.001 0.000 0.265 479 N C 0.558 175.543 175.510 -0.875 0.000 1.203 479 N CA 0.698 53.346 53.050 -0.671 0.000 0.945 479 N CB 1.237 39.459 38.487 -0.442 0.000 1.165 479 N HN 0.911 nan 8.380 nan 0.000 0.485 480 A N 3.297 125.766 122.820 -0.584 0.000 2.119 480 A HA 0.088 4.407 4.320 -0.001 0.000 0.217 480 A C 1.792 179.237 177.584 -0.232 0.000 1.153 480 A CA 1.332 53.142 52.037 -0.379 0.000 0.692 480 A CB -0.070 18.845 19.000 -0.143 0.000 0.799 480 A HN 0.684 nan 8.150 nan 0.000 0.458 481 A N -0.665 122.021 122.820 -0.223 0.000 1.881 481 A HA 0.119 4.439 4.320 -0.001 0.000 0.210 481 A C 2.251 179.747 177.584 -0.146 0.000 1.239 481 A CA 1.915 53.864 52.037 -0.147 0.000 0.629 481 A CB -0.665 18.265 19.000 -0.117 0.000 0.906 481 A HN 0.687 nan 8.150 nan 0.000 0.460 482 T N -3.466 110.979 114.554 -0.181 0.000 3.001 482 T HA 0.260 4.610 4.350 -0.001 0.000 0.251 482 T C -0.030 174.568 174.700 -0.170 0.000 1.040 482 T CA 0.620 62.633 62.100 -0.144 0.000 0.985 482 T CB -0.187 68.612 68.868 -0.114 0.000 1.011 482 T HN 0.459 nan 8.240 nan 0.000 0.509 483 E N 1.063 121.087 120.200 -0.295 0.000 3.783 483 E HA -0.138 4.212 4.350 -0.001 0.000 0.154 483 E C -0.466 175.975 176.600 -0.263 0.000 1.748 483 E CA 0.460 56.661 56.400 -0.333 0.000 0.854 483 E CB -0.914 28.719 29.700 -0.112 0.000 1.075 483 E HN 0.812 nan 8.360 nan 0.000 0.360 484 E N 0.366 120.301 120.200 -0.442 0.000 2.425 484 E HA 0.502 4.852 4.350 -0.001 0.000 0.272 484 E C -1.572 174.678 176.600 -0.583 0.000 1.061 484 E CA -0.719 55.490 56.400 -0.318 0.000 0.877 484 E CB 1.366 30.987 29.700 -0.132 0.000 1.590 484 E HN 0.177 nan 8.360 nan 0.000 0.462 485 Y N -0.756 119.547 120.300 0.005 0.000 2.346 485 Y HA 0.624 5.173 4.550 -0.001 0.000 0.332 485 Y C 0.493 176.318 175.900 -0.125 0.000 0.985 485 Y CA -0.005 58.090 58.100 -0.009 0.000 1.112 485 Y CB 2.209 40.760 38.460 0.153 0.000 1.170 485 Y HN 0.663 nan 8.280 nan 0.000 0.447 486 G N 1.587 110.265 108.800 -0.203 0.000 3.535 486 G HA2 0.074 4.033 3.960 -0.001 0.000 0.169 486 G HA3 0.074 4.033 3.960 -0.001 0.000 0.169 486 G C -1.323 173.257 174.900 -0.534 0.000 1.241 486 G CA -0.424 44.497 45.100 -0.300 0.000 1.334 486 G HN 0.361 nan 8.290 nan 0.000 0.717 487 N N 0.404 118.932 118.700 -0.287 0.000 2.504 487 N HA 0.309 5.049 4.740 -0.001 0.000 0.280 487 N C 0.950 176.387 175.510 -0.122 0.000 1.052 487 N CA -0.493 52.431 53.050 -0.211 0.000 0.887 487 N CB 1.923 40.345 38.487 -0.107 0.000 1.323 487 N HN 0.274 nan 8.380 nan 0.000 0.509 488 M N 3.805 123.351 119.600 -0.089 0.000 2.088 488 M HA -0.122 4.358 4.480 -0.001 0.000 0.256 488 M C 1.457 177.737 176.300 -0.034 0.000 1.071 488 M CA 1.999 57.272 55.300 -0.045 0.000 1.097 488 M CB -0.162 32.447 32.600 0.014 0.000 1.315 488 M HN 0.694 nan 8.290 nan 0.000 0.406 489 I N -0.528 120.032 120.570 -0.017 0.000 2.179 489 I HA -0.299 3.870 4.170 -0.001 0.000 0.242 489 I C 1.723 177.827 176.117 -0.022 0.000 1.088 489 I CA 1.251 62.544 61.300 -0.011 0.000 1.357 489 I CB -0.749 37.252 38.000 0.002 0.000 1.051 489 I HN 0.261 nan 8.210 nan 0.000 0.409 490 D N 0.964 121.347 120.400 -0.029 0.000 2.218 490 D HA -0.146 4.494 4.640 -0.001 0.000 0.204 490 D C 1.838 178.113 176.300 -0.041 0.000 0.976 490 D CA 1.211 55.192 54.000 -0.032 0.000 0.853 490 D CB -0.086 40.694 40.800 -0.034 0.000 0.939 490 D HN 0.466 nan 8.370 nan 0.000 0.481 491 M N -2.980 116.587 119.600 -0.056 0.000 2.549 491 M HA 0.415 4.895 4.480 -0.001 0.000 0.273 491 M C 0.946 177.211 176.300 -0.059 0.000 1.213 491 M CA 0.199 55.460 55.300 -0.064 0.000 0.976 491 M CB 0.667 33.213 32.600 -0.091 0.000 1.457 491 M HN -0.079 nan 8.290 nan 0.000 0.485 492 G N 2.236 111.010 108.800 -0.043 0.000 2.143 492 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.248 492 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.248 492 G C -0.197 174.683 174.900 -0.034 0.000 0.991 492 G CA 0.074 45.153 45.100 -0.035 0.000 0.689 492 G HN 0.627 nan 8.290 nan 0.000 0.522 493 I N 1.022 121.570 120.570 -0.037 0.000 2.388 493 I HA 0.579 4.749 4.170 -0.001 0.000 0.281 493 I C 0.105 176.217 176.117 -0.007 0.000 1.046 493 I CA -0.933 60.350 61.300 -0.029 0.000 1.187 493 I CB 0.692 38.664 38.000 -0.046 0.000 1.351 493 I HN 0.229 nan 8.210 nan 0.000 0.472 494 L N 2.912 124.134 121.223 -0.001 0.000 2.469 494 L HA 0.780 5.120 4.340 -0.001 0.000 0.256 494 L C -1.363 175.516 176.870 0.014 0.000 1.006 494 L CA -0.720 54.126 54.840 0.010 0.000 0.832 494 L CB 1.628 43.691 42.059 0.007 0.000 1.421 494 L HN 0.052 nan 8.230 nan 0.000 0.410 495 D N 0.231 120.644 120.400 0.020 0.000 2.457 495 D HA 0.507 5.146 4.640 -0.001 0.000 0.240 495 D C -2.740 173.575 176.300 0.024 0.000 1.041 495 D CA -1.258 52.756 54.000 0.023 0.000 0.861 495 D CB 2.370 43.187 40.800 0.028 0.000 1.394 495 D HN 0.383 nan 8.370 nan 0.000 0.473 496 P HA 0.039 nan 4.420 nan 0.000 0.265 496 P C 0.856 178.173 177.300 0.028 0.000 1.193 496 P CA 0.092 63.208 63.100 0.027 0.000 0.765 496 P CB 0.553 32.272 31.700 0.031 0.000 0.823 497 T N 2.268 116.837 114.554 0.025 0.000 2.737 497 T HA -0.217 4.133 4.350 -0.001 0.000 0.269 497 T C 1.618 176.335 174.700 0.027 0.000 1.040 497 T CA 1.365 63.480 62.100 0.024 0.000 1.142 497 T CB -0.317 68.563 68.868 0.020 0.000 0.861 497 T HN 0.495 nan 8.240 nan 0.000 0.456 498 K N 0.912 121.330 120.400 0.029 0.000 2.063 498 K HA -0.135 4.184 4.320 -0.001 0.000 0.208 498 K C 2.431 179.061 176.600 0.049 0.000 1.048 498 K CA 1.629 57.938 56.287 0.035 0.000 0.928 498 K CB -0.349 32.172 32.500 0.035 0.000 0.713 498 K HN 0.374 nan 8.250 nan 0.000 0.442 499 V N -1.010 118.934 119.914 0.049 0.000 2.453 499 V HA -0.148 3.972 4.120 -0.001 0.000 0.247 499 V C 1.742 177.870 176.094 0.058 0.000 1.048 499 V CA 2.218 64.553 62.300 0.059 0.000 1.049 499 V CB -0.738 31.116 31.823 0.051 0.000 0.672 499 V HN 0.274 nan 8.190 nan 0.000 0.457 500 T N 0.366 114.947 114.554 0.045 0.000 2.777 500 T HA -0.105 4.244 4.350 -0.001 0.000 0.266 500 T C 1.980 176.703 174.700 0.038 0.000 1.040 500 T CA 1.902 64.027 62.100 0.041 0.000 1.141 500 T CB -0.364 68.524 68.868 0.034 0.000 0.868 500 T HN 0.591 nan 8.240 nan 0.000 0.444 501 R N 1.053 121.572 120.500 0.031 0.000 2.070 501 R HA -0.092 4.248 4.340 -0.001 0.000 0.233 501 R C 2.555 178.865 176.300 0.017 0.000 1.137 501 R CA 1.786 57.895 56.100 0.016 0.000 0.945 501 R CB -0.388 29.916 30.300 0.007 0.000 0.845 501 R HN 0.241 nan 8.270 nan 0.000 0.430 502 S N 0.587 116.320 115.700 0.055 0.000 2.368 502 S HA -0.131 4.339 4.470 -0.001 0.000 0.225 502 S C 2.028 176.749 174.600 0.203 0.000 1.030 502 S CA 1.146 59.420 58.200 0.123 0.000 0.999 502 S CB -0.285 63.045 63.200 0.218 0.000 0.844 502 S HN 0.576 nan 8.310 nan 0.000 0.459 503 A N 1.445 124.353 122.820 0.146 0.000 1.883 503 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 503 A C 2.153 179.799 177.584 0.103 0.000 1.186 503 A CA 1.640 53.754 52.037 0.130 0.000 0.624 503 A CB -0.774 18.274 19.000 0.080 0.000 0.822 503 A HN 0.421 nan 8.150 nan 0.000 0.444 504 L N -0.425 120.833 121.223 0.059 0.000 2.027 504 L HA -0.152 4.188 4.340 -0.001 0.000 0.206 504 L C 2.479 179.355 176.870 0.009 0.000 1.074 504 L CA 2.319 57.178 54.840 0.031 0.000 0.745 504 L CB -0.800 41.269 42.059 0.016 0.000 0.898 504 L HN 0.507 nan 8.230 nan 0.000 0.433 505 Q N -1.749 118.028 119.800 -0.040 0.000 2.050 505 Q HA -0.226 4.114 4.340 -0.001 0.000 0.202 505 Q C 2.168 178.084 176.000 -0.140 0.000 0.980 505 Q CA 2.162 57.885 55.803 -0.133 0.000 0.840 505 Q CB -0.313 28.275 28.738 -0.251 0.000 0.898 505 Q HN 0.525 nan 8.270 nan 0.000 0.424 506 Y N 0.009 120.316 120.300 0.011 0.000 2.200 506 Y HA -0.180 4.369 4.550 -0.001 0.000 0.290 506 Y C 2.343 178.249 175.900 0.010 0.000 1.137 506 Y CA 0.983 59.089 58.100 0.010 0.000 1.163 506 Y CB -0.644 37.822 38.460 0.011 0.000 0.988 506 Y HN 0.143 nan 8.280 nan 0.000 0.518 507 A N 0.122 123.036 122.820 0.157 0.000 1.883 507 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 507 A C 2.472 180.092 177.584 0.061 0.000 1.186 507 A CA 2.088 54.180 52.037 0.092 0.000 0.624 507 A CB -1.300 17.740 19.000 0.068 0.000 0.822 507 A HN 0.398 nan 8.150 nan 0.000 0.444 508 A N -0.882 121.962 122.820 0.039 0.000 1.933 508 A HA -0.086 4.233 4.320 -0.001 0.000 0.218 508 A C 2.458 180.055 177.584 0.022 0.000 1.175 508 A CA 2.160 54.209 52.037 0.020 0.000 0.628 508 A CB -0.966 18.035 19.000 0.001 0.000 0.814 508 A HN 0.603 nan 8.150 nan 0.000 0.444 509 S N -0.833 114.883 115.700 0.026 0.000 2.351 509 S HA -0.161 4.309 4.470 -0.001 0.000 0.220 509 S C 1.975 176.605 174.600 0.050 0.000 1.035 509 S CA 1.928 60.148 58.200 0.033 0.000 1.031 509 S CB -0.610 62.623 63.200 0.054 0.000 0.928 509 S HN 0.511 nan 8.310 nan 0.000 0.433 510 V N 1.595 121.551 119.914 0.069 0.000 2.453 510 V HA 0.061 4.180 4.120 -0.001 0.000 0.247 510 V C 2.630 178.749 176.094 0.041 0.000 1.048 510 V CA 1.875 64.209 62.300 0.057 0.000 1.049 510 V CB -0.992 30.868 31.823 0.062 0.000 0.672 510 V HN 0.603 nan 8.190 nan 0.000 0.457 511 A N 0.038 122.881 122.820 0.039 0.000 1.933 511 A HA -0.051 4.269 4.320 -0.001 0.000 0.218 511 A C 2.344 179.943 177.584 0.025 0.000 1.175 511 A CA 1.881 53.936 52.037 0.030 0.000 0.628 511 A CB -1.343 17.674 19.000 0.027 0.000 0.814 511 A HN 0.629 nan 8.150 nan 0.000 0.444 512 G N -0.161 108.653 108.800 0.023 0.000 2.418 512 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.217 512 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.217 512 G C 1.545 176.458 174.900 0.021 0.000 1.158 512 G CA 1.045 46.156 45.100 0.019 0.000 0.771 512 G HN 0.439 nan 8.290 nan 0.000 0.545 513 L N -0.359 120.879 121.223 0.025 0.000 2.093 513 L HA 0.009 4.349 4.340 -0.001 0.000 0.208 513 L C 3.073 179.958 176.870 0.025 0.000 1.085 513 L CA 0.860 55.715 54.840 0.025 0.000 0.755 513 L CB -0.290 41.786 42.059 0.029 0.000 0.904 513 L HN 0.224 nan 8.230 nan 0.000 0.435 514 M N -0.651 118.965 119.600 0.026 0.000 2.156 514 M HA -0.173 4.307 4.480 -0.001 0.000 0.264 514 M C 2.296 178.610 176.300 0.023 0.000 1.067 514 M CA 1.728 57.044 55.300 0.026 0.000 1.131 514 M CB -0.213 32.403 32.600 0.027 0.000 1.368 514 M HN 0.175 nan 8.290 nan 0.000 0.416 515 I N 0.025 120.608 120.570 0.021 0.000 2.361 515 I HA -0.237 3.933 4.170 -0.001 0.000 0.251 515 I C 1.818 177.947 176.117 0.020 0.000 1.133 515 I CA 1.463 62.774 61.300 0.019 0.000 1.413 515 I CB -0.328 37.682 38.000 0.017 0.000 1.073 515 I HN 0.382 nan 8.210 nan 0.000 0.424 516 T N -3.359 111.207 114.554 0.021 0.000 3.223 516 T HA 0.162 4.511 4.350 -0.001 0.000 0.259 516 T C 0.499 175.214 174.700 0.026 0.000 1.015 516 T CA -0.310 61.804 62.100 0.022 0.000 0.908 516 T CB -0.451 68.428 68.868 0.020 0.000 1.054 516 T HN -0.057 nan 8.240 nan 0.000 0.567 517 T N 2.306 116.876 114.554 0.027 0.000 2.767 517 T HA 0.319 4.668 4.350 -0.001 0.000 0.288 517 T C 0.590 175.310 174.700 0.034 0.000 0.963 517 T CA -0.543 61.574 62.100 0.029 0.000 1.019 517 T CB 1.591 70.475 68.868 0.027 0.000 0.923 517 T HN 0.110 nan 8.240 nan 0.000 0.468 518 E N 0.614 120.841 120.200 0.045 0.000 2.447 518 E HA 0.170 4.519 4.350 -0.001 0.000 0.204 518 E C 0.140 176.786 176.600 0.077 0.000 0.977 518 E CA 0.125 56.568 56.400 0.072 0.000 0.950 518 E CB 0.728 30.483 29.700 0.092 0.000 0.975 518 E HN 0.562 nan 8.360 nan 0.000 0.496 519 C N 0.465 119.776 119.300 0.018 0.000 2.985 519 C HA 0.683 5.142 4.460 -0.001 0.000 0.314 519 C C -1.389 173.552 174.990 -0.081 0.000 1.215 519 C CA -0.579 58.381 59.018 -0.097 0.000 1.414 519 C CB 0.628 28.317 27.740 -0.084 0.000 1.842 519 C HN 0.128 nan 8.230 nan 0.000 0.477 520 M N 5.014 124.544 119.600 -0.116 0.000 2.267 520 M HA 0.522 5.002 4.480 -0.001 0.000 0.289 520 M C -1.199 175.150 176.300 0.081 0.000 1.043 520 M CA -0.486 54.842 55.300 0.047 0.000 0.928 520 M CB 2.076 34.813 32.600 0.229 0.000 1.613 520 M HN 0.370 nan 8.290 nan 0.000 0.450 521 V N 1.546 121.471 119.914 0.017 0.000 2.448 521 V HA 0.768 4.887 4.120 -0.001 0.000 0.295 521 V C -0.206 175.829 176.094 -0.099 0.000 1.025 521 V CA -0.383 61.906 62.300 -0.019 0.000 0.859 521 V CB 1.827 33.630 31.823 -0.032 0.000 0.988 521 V HN 0.945 nan 8.190 nan 0.000 0.431 522 T N 2.062 116.508 114.554 -0.180 0.000 2.812 522 T HA 0.353 4.702 4.350 -0.001 0.000 0.294 522 T C -1.163 173.425 174.700 -0.187 0.000 1.159 522 T CA -0.600 61.339 62.100 -0.269 0.000 1.008 522 T CB 1.952 70.487 68.868 -0.554 0.000 1.289 522 T HN 0.678 nan 8.240 nan 0.000 0.514 523 D N 1.228 121.530 120.400 -0.164 0.000 2.360 523 D HA 0.250 4.890 4.640 -0.001 0.000 0.242 523 D C -0.220 176.023 176.300 -0.096 0.000 1.184 523 D CA -0.264 53.675 54.000 -0.102 0.000 0.930 523 D CB 0.802 41.554 40.800 -0.079 0.000 1.161 523 D HN 0.192 nan 8.370 nan 0.000 0.447 524 L N 2.711 123.906 121.223 -0.047 0.000 2.380 524 L HA 0.211 4.551 4.340 -0.001 0.000 0.273 524 L C -1.397 175.459 176.870 -0.023 0.000 1.138 524 L CA -1.077 53.751 54.840 -0.021 0.000 0.832 524 L CB -0.110 41.949 42.059 -0.000 0.000 1.124 524 L HN 0.278 nan 8.230 nan 0.000 0.454 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.095 63.100 -0.009 0.000 0.800 525 P CB 0.000 31.707 31.700 0.012 0.000 0.726