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 2c7c_1_B DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.580 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 2.495 125.315 122.820 -0.001 0.000 2.346 3 A HA 0.720 5.041 4.320 0.001 0.000 0.252 3 A C 0.160 177.747 177.584 0.005 0.000 1.089 3 A CA 0.029 52.069 52.037 0.006 0.000 0.797 3 A CB 0.289 19.296 19.000 0.012 0.000 1.047 3 A HN 0.683 nan 8.150 nan 0.000 0.494 4 K N 0.679 121.089 120.400 0.016 0.000 2.395 4 K HA 0.419 4.739 4.320 0.001 0.000 0.247 4 K C -1.248 175.388 176.600 0.061 0.000 0.973 4 K CA -0.751 55.548 56.287 0.020 0.000 0.828 4 K CB 1.702 34.209 32.500 0.012 0.000 1.272 4 K HN 0.758 nan 8.250 nan 0.000 0.439 5 D N 0.987 121.449 120.400 0.103 0.000 2.253 5 D HA 0.460 5.101 4.640 0.001 0.000 0.249 5 D C -1.051 175.417 176.300 0.280 0.000 1.049 5 D CA -0.477 53.650 54.000 0.211 0.000 0.929 5 D CB 1.348 42.344 40.800 0.326 0.000 1.176 5 D HN 0.255 nan 8.370 nan 0.000 0.437 6 V N -0.715 119.355 119.914 0.260 0.000 2.711 6 V HA 0.666 4.787 4.120 0.001 0.000 0.304 6 V C -1.065 175.103 176.094 0.123 0.000 1.097 6 V CA -0.832 61.575 62.300 0.178 0.000 0.906 6 V CB 1.658 33.537 31.823 0.094 0.000 1.015 6 V HN 0.472 nan 8.190 nan 0.000 0.427 7 K N 4.223 124.646 120.400 0.039 0.000 2.501 7 K HA 0.715 5.036 4.320 0.001 0.000 0.252 7 K C -1.806 174.743 176.600 -0.084 0.000 0.934 7 K CA -0.376 55.892 56.287 -0.031 0.000 0.797 7 K CB 2.756 35.042 32.500 -0.358 0.000 1.270 7 K HN 0.611 nan 8.250 nan 0.000 0.431 8 F N 0.297 120.236 119.950 -0.018 0.000 2.483 8 F HA 0.463 4.991 4.527 0.001 0.000 0.329 8 F C 1.518 177.310 175.800 -0.012 0.000 1.064 8 F CA 0.596 58.596 58.000 0.000 0.000 0.986 8 F CB 1.565 40.565 39.000 -0.001 0.000 1.218 8 F HN 0.839 nan 8.300 nan 0.000 0.484 9 G N 1.873 110.791 108.800 0.196 0.000 2.686 9 G HA2 -0.531 3.430 3.960 0.001 0.000 0.329 9 G HA3 -0.531 3.430 3.960 0.001 0.000 0.329 9 G C 1.194 176.133 174.900 0.065 0.000 1.187 9 G CA 1.312 46.484 45.100 0.120 0.000 0.965 9 G HN 0.808 nan 8.290 nan 0.000 0.549 10 N N 0.860 119.588 118.700 0.047 0.000 2.006 10 N HA -0.065 4.676 4.740 0.001 0.000 0.196 10 N C 1.838 177.350 175.510 0.004 0.000 1.057 10 N CA 2.506 55.568 53.050 0.020 0.000 0.853 10 N CB -0.401 38.093 38.487 0.010 0.000 1.051 10 N HN 0.532 nan 8.380 nan 0.000 0.423 11 D N -0.320 120.071 120.400 -0.015 0.000 2.218 11 D HA -0.058 4.583 4.640 0.001 0.000 0.204 11 D C 1.709 177.953 176.300 -0.092 0.000 0.976 11 D CA 1.118 55.072 54.000 -0.077 0.000 0.853 11 D CB -0.412 40.315 40.800 -0.122 0.000 0.939 11 D HN 0.481 nan 8.370 nan 0.000 0.481 12 A N 0.906 123.709 122.820 -0.028 0.000 1.821 12 A HA -0.154 4.167 4.320 0.001 0.000 0.215 12 A C 2.139 179.749 177.584 0.043 0.000 1.214 12 A CA 1.289 53.343 52.037 0.028 0.000 0.608 12 A CB -0.526 18.494 19.000 0.033 0.000 0.862 12 A HN 0.064 nan 8.150 nan 0.000 0.448 13 R N -0.708 119.813 120.500 0.034 0.000 2.096 13 R HA -0.085 4.256 4.340 0.001 0.000 0.235 13 R C 2.032 178.349 176.300 0.028 0.000 1.127 13 R CA 1.361 57.481 56.100 0.033 0.000 0.968 13 R CB -0.578 29.739 30.300 0.029 0.000 0.861 13 R HN 0.401 nan 8.270 nan 0.000 0.440 14 V N 1.417 121.343 119.914 0.019 0.000 2.295 14 V HA -0.249 3.872 4.120 0.001 0.000 0.246 14 V C 2.305 178.414 176.094 0.024 0.000 1.049 14 V CA 1.637 63.946 62.300 0.015 0.000 1.024 14 V CB -0.345 31.479 31.823 0.002 0.000 0.648 14 V HN 0.226 nan 8.190 nan 0.000 0.447 15 K N -0.552 119.867 120.400 0.031 0.000 2.026 15 K HA -0.129 4.192 4.320 0.001 0.000 0.208 15 K C 2.144 178.791 176.600 0.078 0.000 1.048 15 K CA 1.693 58.019 56.287 0.066 0.000 0.929 15 K CB -0.518 32.047 32.500 0.107 0.000 0.713 15 K HN 0.429 nan 8.250 nan 0.000 0.439 16 M N 0.743 120.390 119.600 0.078 0.000 2.082 16 M HA -0.230 4.250 4.480 0.001 0.000 0.258 16 M C 2.143 178.467 176.300 0.041 0.000 1.069 16 M CA 1.417 56.754 55.300 0.060 0.000 1.102 16 M CB -0.151 32.481 32.600 0.054 0.000 1.336 16 M HN 0.070 nan 8.290 nan 0.000 0.404 17 L N 0.624 121.868 121.223 0.035 0.000 1.989 17 L HA -0.217 4.124 4.340 0.001 0.000 0.211 17 L C 2.345 179.230 176.870 0.026 0.000 1.071 17 L CA 1.959 56.816 54.840 0.027 0.000 0.749 17 L CB -0.745 41.327 42.059 0.023 0.000 0.890 17 L HN 0.266 nan 8.230 nan 0.000 0.431 18 R N -0.567 119.950 120.500 0.028 0.000 2.105 18 R HA -0.147 4.194 4.340 0.001 0.000 0.239 18 R C 2.195 178.511 176.300 0.028 0.000 1.135 18 R CA 1.235 57.351 56.100 0.027 0.000 0.967 18 R CB -1.116 29.201 30.300 0.029 0.000 0.861 18 R HN 0.613 nan 8.270 nan 0.000 0.442 19 G N 0.675 109.495 108.800 0.034 0.000 2.446 19 G HA2 -0.234 3.727 3.960 0.001 0.000 0.217 19 G HA3 -0.234 3.727 3.960 0.001 0.000 0.217 19 G C 1.496 176.408 174.900 0.020 0.000 1.168 19 G CA 0.824 45.941 45.100 0.028 0.000 0.771 19 G HN 0.144 nan 8.290 nan 0.000 0.551 20 V N 1.339 121.266 119.914 0.021 0.000 2.343 20 V HA -0.236 3.885 4.120 0.001 0.000 0.247 20 V C 2.588 178.692 176.094 0.017 0.000 1.051 20 V CA 2.273 64.584 62.300 0.018 0.000 1.036 20 V CB -0.759 31.075 31.823 0.019 0.000 0.654 20 V HN 0.415 nan 8.190 nan 0.000 0.451 21 N N -0.149 118.562 118.700 0.018 0.000 2.084 21 N HA -0.152 4.589 4.740 0.001 0.000 0.190 21 N C 1.713 177.232 175.510 0.015 0.000 1.030 21 N CA 1.407 54.467 53.050 0.016 0.000 0.849 21 N CB -0.353 38.144 38.487 0.016 0.000 1.012 21 N HN 0.262 nan 8.380 nan 0.000 0.423 22 V N 1.414 121.337 119.914 0.015 0.000 2.380 22 V HA -0.196 3.925 4.120 0.001 0.000 0.251 22 V C 2.112 178.213 176.094 0.011 0.000 1.063 22 V CA 1.239 63.547 62.300 0.013 0.000 1.055 22 V CB -0.493 31.338 31.823 0.014 0.000 0.657 22 V HN 0.397 nan 8.190 nan 0.000 0.455 23 L N 0.256 121.486 121.223 0.011 0.000 2.022 23 L HA -0.006 4.335 4.340 0.001 0.000 0.204 23 L C 2.451 179.328 176.870 0.012 0.000 1.076 23 L CA 2.679 57.525 54.840 0.010 0.000 0.749 23 L CB -1.231 40.834 42.059 0.009 0.000 0.903 23 L HN 0.317 nan 8.230 nan 0.000 0.439 24 A N -0.806 122.022 122.820 0.014 0.000 2.016 24 A HA -0.175 4.146 4.320 0.001 0.000 0.217 24 A C 1.784 179.378 177.584 0.015 0.000 1.162 24 A CA 1.444 53.490 52.037 0.015 0.000 0.662 24 A CB -0.546 18.464 19.000 0.017 0.000 0.812 24 A HN 0.539 nan 8.150 nan 0.000 0.450 25 D N -0.192 120.217 120.400 0.014 0.000 2.224 25 D HA 0.134 4.774 4.640 0.001 0.000 0.205 25 D C 2.142 178.449 176.300 0.012 0.000 0.965 25 D CA 1.019 55.027 54.000 0.013 0.000 0.852 25 D CB -0.014 40.793 40.800 0.012 0.000 0.947 25 D HN 0.434 nan 8.370 nan 0.000 0.494 26 A N 0.202 123.028 122.820 0.011 0.000 1.841 26 A HA -0.122 4.199 4.320 0.001 0.000 0.214 26 A C 2.312 179.903 177.584 0.012 0.000 1.195 26 A CA 0.952 52.995 52.037 0.010 0.000 0.611 26 A CB -0.884 18.121 19.000 0.009 0.000 0.835 26 A HN 0.119 nan 8.150 nan 0.000 0.443 27 V N 0.341 120.263 119.914 0.013 0.000 2.469 27 V HA -0.294 3.827 4.120 0.001 0.000 0.251 27 V C 2.409 178.512 176.094 0.016 0.000 1.064 27 V CA 2.331 64.640 62.300 0.015 0.000 1.066 27 V CB -0.747 31.086 31.823 0.016 0.000 0.667 27 V HN 0.544 nan 8.190 nan 0.000 0.461 28 K N 0.130 120.539 120.400 0.016 0.000 2.218 28 K HA -0.167 4.154 4.320 0.001 0.000 0.205 28 K C 1.855 178.464 176.600 0.015 0.000 1.046 28 K CA 1.659 57.956 56.287 0.016 0.000 0.933 28 K CB -0.326 32.183 32.500 0.015 0.000 0.728 28 K HN 0.615 nan 8.250 nan 0.000 0.454 29 V N -1.043 118.879 119.914 0.013 0.000 3.383 29 V HA -0.075 4.046 4.120 0.001 0.000 0.272 29 V C 1.479 177.580 176.094 0.013 0.000 1.181 29 V CA 1.776 64.084 62.300 0.012 0.000 1.171 29 V CB -0.789 31.040 31.823 0.010 0.000 0.800 29 V HN 0.338 nan 8.190 nan 0.000 0.515 30 T N -2.926 111.636 114.554 0.014 0.000 3.044 30 T HA 0.345 4.696 4.350 0.001 0.000 0.260 30 T C 0.345 175.055 174.700 0.015 0.000 1.019 30 T CA -0.176 61.933 62.100 0.014 0.000 0.921 30 T CB 0.109 68.987 68.868 0.015 0.000 1.053 30 T HN 0.330 nan 8.240 nan 0.000 0.533 31 L N 2.776 124.009 121.223 0.017 0.000 2.361 31 L HA 0.614 4.955 4.340 0.001 0.000 0.278 31 L C 0.781 177.661 176.870 0.017 0.000 1.113 31 L CA 1.548 56.399 54.840 0.018 0.000 0.849 31 L CB -0.263 41.808 42.059 0.020 0.000 1.155 31 L HN 0.681 nan 8.230 nan 0.000 0.452 32 G N 4.710 113.519 108.800 0.016 0.000 2.549 32 G HA2 -0.150 3.811 3.960 0.001 0.000 0.404 32 G HA3 -0.150 3.811 3.960 0.001 0.000 0.404 32 G C -2.411 172.493 174.900 0.007 0.000 1.292 32 G CA -0.256 44.853 45.100 0.014 0.000 0.935 32 G HN 0.485 nan 8.290 nan 0.000 0.512 33 P HA 0.069 nan 4.420 nan 0.000 0.216 33 P C 1.271 178.567 177.300 -0.006 0.000 1.156 33 P CA 1.411 64.506 63.100 -0.007 0.000 0.855 33 P CB 0.027 31.715 31.700 -0.020 0.000 0.786 34 K N 0.065 120.464 120.400 -0.002 0.000 2.525 34 K HA 0.158 4.479 4.320 0.001 0.000 0.192 34 K C 1.303 177.906 176.600 0.005 0.000 1.029 34 K CA -0.039 56.248 56.287 0.000 0.000 1.029 34 K CB -0.304 32.198 32.500 0.004 0.000 0.814 34 K HN 0.122 nan 8.250 nan 0.000 0.503 35 G N 1.404 110.208 108.800 0.007 0.000 2.442 35 G HA2 0.100 4.061 3.960 0.001 0.000 0.249 35 G HA3 0.100 4.061 3.960 0.001 0.000 0.249 35 G C -0.142 174.762 174.900 0.008 0.000 1.263 35 G CA -0.395 44.711 45.100 0.009 0.000 0.846 35 G HN 0.159 nan 8.290 nan 0.000 0.555 36 R N 0.583 121.088 120.500 0.008 0.000 2.601 36 R HA 0.394 4.735 4.340 0.001 0.000 0.220 36 R C -0.422 175.883 176.300 0.008 0.000 1.329 36 R CA -0.870 55.234 56.100 0.007 0.000 1.043 36 R CB 0.570 30.874 30.300 0.007 0.000 1.807 36 R HN 0.477 nan 8.270 nan 0.000 0.537 37 N N -0.808 117.896 118.700 0.008 0.000 2.381 37 N HA 0.428 5.169 4.740 0.001 0.000 0.294 37 N C -1.309 174.206 175.510 0.008 0.000 1.216 37 N CA -0.628 52.428 53.050 0.009 0.000 0.803 37 N CB 2.007 40.499 38.487 0.008 0.000 1.372 37 N HN 0.113 nan 8.380 nan 0.000 0.500 38 V N 0.581 120.500 119.914 0.009 0.000 2.628 38 V HA 0.528 4.649 4.120 0.001 0.000 0.306 38 V C -0.245 175.854 176.094 0.008 0.000 1.045 38 V CA -0.803 61.502 62.300 0.008 0.000 0.905 38 V CB 2.022 33.851 31.823 0.009 0.000 0.997 38 V HN 0.314 nan 8.190 nan 0.000 0.436 39 V N 5.291 125.208 119.914 0.005 0.000 2.417 39 V HA 0.506 4.627 4.120 0.001 0.000 0.291 39 V C -0.360 175.736 176.094 0.003 0.000 1.024 39 V CA -0.485 61.818 62.300 0.004 0.000 0.861 39 V CB 1.530 33.354 31.823 0.002 0.000 0.985 39 V HN 0.616 nan 8.190 nan 0.000 0.436 40 L N 3.685 124.911 121.223 0.005 0.000 2.325 40 L HA 0.556 4.896 4.340 0.001 0.000 0.281 40 L C -0.575 176.294 176.870 -0.002 0.000 1.004 40 L CA -0.510 54.333 54.840 0.004 0.000 0.823 40 L CB 1.774 43.840 42.059 0.012 0.000 1.236 40 L HN 0.534 nan 8.230 nan 0.000 0.415 41 D N 3.866 124.257 120.400 -0.015 0.000 2.256 41 D HA 0.398 5.039 4.640 0.001 0.000 0.250 41 D C -0.801 175.463 176.300 -0.059 0.000 1.093 41 D CA 0.007 53.986 54.000 -0.035 0.000 0.882 41 D CB 1.000 41.775 40.800 -0.043 0.000 1.185 41 D HN 0.362 nan 8.370 nan 0.000 0.437 42 K N 1.376 121.722 120.400 -0.089 0.000 2.565 42 K HA 0.161 4.482 4.320 0.001 0.000 0.251 42 K C 0.299 176.732 176.600 -0.279 0.000 0.956 42 K CA -0.533 55.631 56.287 -0.204 0.000 0.809 42 K CB 1.710 34.168 32.500 -0.070 0.000 1.267 42 K HN 0.332 nan 8.250 nan 0.000 0.438 43 S N 1.107 116.522 115.700 -0.474 0.000 2.603 43 S HA -0.043 4.427 4.470 0.001 0.000 0.229 43 S C 1.180 175.613 174.600 -0.278 0.000 0.972 43 S CA 0.401 58.392 58.200 -0.348 0.000 0.935 43 S CB -0.440 62.566 63.200 -0.324 0.000 0.769 43 S HN 0.497 nan 8.310 nan 0.000 0.536 44 F N 2.484 122.432 119.950 -0.002 0.000 2.641 44 F HA 0.392 4.921 4.527 0.002 0.000 0.298 44 F C 1.652 177.451 175.800 -0.002 0.000 1.146 44 F CA -0.246 57.752 58.000 -0.002 0.000 1.464 44 F CB -0.856 38.142 39.000 -0.003 0.000 1.101 44 F HN 0.495 nan 8.300 nan 0.000 0.585 45 G N -1.309 107.551 108.800 0.101 0.000 2.474 45 G HA2 0.551 4.512 3.960 0.001 0.000 0.234 45 G HA3 0.551 4.512 3.960 0.001 0.000 0.234 45 G C -1.512 173.400 174.900 0.020 0.000 1.204 45 G CA -0.283 44.854 45.100 0.062 0.000 0.939 45 G HN 0.218 nan 8.290 nan 0.000 0.491 46 A N 0.371 123.203 122.820 0.020 0.000 2.302 46 A HA 0.811 5.132 4.320 0.001 0.000 0.285 46 A C -2.107 175.483 177.584 0.011 0.000 1.105 46 A CA -0.947 51.094 52.037 0.007 0.000 0.816 46 A CB -0.101 18.904 19.000 0.008 0.000 1.067 46 A HN 0.400 nan 8.150 nan 0.000 0.489 47 P HA 0.070 nan 4.420 nan 0.000 0.270 47 P C -0.264 177.044 177.300 0.014 0.000 1.216 47 P CA 0.446 63.548 63.100 0.003 0.000 0.788 47 P CB 0.239 31.936 31.700 -0.004 0.000 0.883 48 T N 2.505 117.069 114.554 0.018 0.000 2.738 48 T HA 0.394 4.745 4.350 0.001 0.000 0.298 48 T C 0.426 175.135 174.700 0.015 0.000 0.962 48 T CA -0.225 61.887 62.100 0.021 0.000 0.972 48 T CB -0.337 68.548 68.868 0.028 0.000 0.928 48 T HN 0.100 nan 8.240 nan 0.000 0.474 49 I N 3.095 123.673 120.570 0.013 0.000 2.474 49 I HA 0.464 4.635 4.170 0.001 0.000 0.287 49 I C 0.882 177.008 176.117 0.014 0.000 1.048 49 I CA 0.232 61.538 61.300 0.011 0.000 1.383 49 I CB 1.148 39.153 38.000 0.009 0.000 1.412 49 I HN 0.496 nan 8.210 nan 0.000 0.531 50 T N 3.901 118.463 114.554 0.014 0.000 2.885 50 T HA 0.298 4.649 4.350 0.001 0.000 0.322 50 T C 0.132 174.841 174.700 0.015 0.000 1.387 50 T CA -0.692 61.417 62.100 0.016 0.000 1.041 50 T CB 1.349 70.228 68.868 0.019 0.000 1.287 50 T HN 0.717 nan 8.240 nan 0.000 0.491 51 K N 1.051 121.461 120.400 0.017 0.000 2.354 51 K HA 0.156 4.477 4.320 0.001 0.000 0.194 51 K C 0.326 176.938 176.600 0.020 0.000 1.038 51 K CA -0.114 56.183 56.287 0.017 0.000 1.052 51 K CB 0.309 32.818 32.500 0.016 0.000 0.861 51 K HN 0.614 nan 8.250 nan 0.000 0.535 52 D N -0.324 120.090 120.400 0.023 0.000 2.317 52 D HA 0.006 4.647 4.640 0.001 0.000 0.252 52 D C 0.664 176.978 176.300 0.023 0.000 1.174 52 D CA 0.008 54.023 54.000 0.027 0.000 0.866 52 D CB 1.654 42.473 40.800 0.031 0.000 1.127 52 D HN 0.313 nan 8.370 nan 0.000 0.467 53 G N 2.937 111.751 108.800 0.023 0.000 2.448 53 G HA2 -0.168 3.793 3.960 0.001 0.000 0.218 53 G HA3 -0.168 3.793 3.960 0.001 0.000 0.218 53 G C 1.401 176.311 174.900 0.018 0.000 1.135 53 G CA 0.214 45.326 45.100 0.021 0.000 0.784 53 G HN 0.482 nan 8.290 nan 0.000 0.543 54 V N 0.669 120.593 119.914 0.017 0.000 2.591 54 V HA -0.078 4.042 4.120 0.001 0.000 0.249 54 V C 2.865 178.965 176.094 0.009 0.000 1.053 54 V CA 2.457 64.763 62.300 0.010 0.000 1.068 54 V CB -0.123 31.703 31.823 0.005 0.000 0.689 54 V HN 0.334 nan 8.190 nan 0.000 0.462 55 S N -0.194 115.515 115.700 0.014 0.000 2.368 55 S HA -0.144 4.327 4.470 0.001 0.000 0.224 55 S C 1.886 176.495 174.600 0.015 0.000 1.029 55 S CA 1.526 59.736 58.200 0.016 0.000 0.988 55 S CB -0.126 63.087 63.200 0.021 0.000 0.838 55 S HN 0.483 nan 8.310 nan 0.000 0.462 56 V N 2.294 122.217 119.914 0.014 0.000 2.255 56 V HA -0.231 3.890 4.120 0.001 0.000 0.247 56 V C 2.733 178.832 176.094 0.009 0.000 1.051 56 V CA 1.846 64.153 62.300 0.012 0.000 1.018 56 V CB -1.319 30.511 31.823 0.012 0.000 0.641 56 V HN 0.549 nan 8.190 nan 0.000 0.445 57 A N -0.217 122.608 122.820 0.008 0.000 1.902 57 A HA -0.247 4.074 4.320 0.001 0.000 0.217 57 A C 2.357 179.941 177.584 0.001 0.000 1.181 57 A CA 1.958 53.998 52.037 0.005 0.000 0.623 57 A CB -0.557 18.445 19.000 0.005 0.000 0.818 57 A HN 0.513 nan 8.150 nan 0.000 0.443 58 R N -0.519 119.982 120.500 0.002 0.000 2.127 58 R HA -0.096 4.245 4.340 0.001 0.000 0.238 58 R C 1.659 177.961 176.300 0.003 0.000 1.134 58 R CA 1.268 57.368 56.100 -0.000 0.000 0.975 58 R CB -0.136 30.164 30.300 0.001 0.000 0.865 58 R HN 0.459 nan 8.270 nan 0.000 0.447 59 E N 0.214 120.418 120.200 0.007 0.000 2.427 59 E HA -0.031 4.320 4.350 0.001 0.000 0.196 59 E C 0.347 176.949 176.600 0.004 0.000 1.028 59 E CA 0.400 56.805 56.400 0.009 0.000 0.864 59 E CB 0.182 29.889 29.700 0.011 0.000 0.813 59 E HN 0.166 nan 8.360 nan 0.000 0.514 60 I N 1.517 122.087 120.570 0.001 0.000 2.474 60 I HA 0.189 4.360 4.170 0.001 0.000 0.287 60 I C 0.348 176.462 176.117 -0.004 0.000 1.048 60 I CA 0.001 61.301 61.300 -0.001 0.000 1.383 60 I CB 0.592 38.592 38.000 0.001 0.000 1.412 60 I HN -0.061 nan 8.210 nan 0.000 0.531 61 E N 5.718 125.915 120.200 -0.005 0.000 2.388 61 E HA 0.465 4.816 4.350 0.001 0.000 0.289 61 E C -2.085 174.510 176.600 -0.008 0.000 0.944 61 E CA -0.583 55.811 56.400 -0.010 0.000 0.792 61 E CB 1.734 31.428 29.700 -0.010 0.000 1.239 61 E HN 0.267 nan 8.360 nan 0.000 0.412 62 L N 3.159 124.376 121.223 -0.010 0.000 2.333 62 L HA 0.365 4.706 4.340 0.001 0.000 0.263 62 L C 1.231 178.097 176.870 -0.007 0.000 1.014 62 L CA -0.234 54.603 54.840 -0.005 0.000 0.820 62 L CB 1.471 43.531 42.059 0.002 0.000 1.352 62 L HN 0.881 nan 8.230 nan 0.000 0.421 63 E N 0.297 120.498 120.200 0.002 0.000 2.076 63 E HA -0.125 4.226 4.350 0.001 0.000 0.190 63 E C 0.235 176.844 176.600 0.015 0.000 0.979 63 E CA 0.398 56.801 56.400 0.005 0.000 0.807 63 E CB 0.338 30.044 29.700 0.010 0.000 0.761 63 E HN 0.628 nan 8.360 nan 0.000 0.454 64 D N 0.836 121.255 120.400 0.032 0.000 2.342 64 D HA -0.049 4.592 4.640 0.001 0.000 0.260 64 D C 0.565 176.893 176.300 0.046 0.000 1.278 64 D CA -0.018 54.022 54.000 0.067 0.000 0.910 64 D CB 0.833 41.684 40.800 0.084 0.000 1.079 64 D HN 0.035 nan 8.370 nan 0.000 0.496 65 K N 3.492 123.896 120.400 0.007 0.000 2.148 65 K HA -0.122 4.199 4.320 0.001 0.000 0.204 65 K C 1.747 178.204 176.600 -0.238 0.000 1.050 65 K CA 0.915 57.101 56.287 -0.167 0.000 0.942 65 K CB -0.288 32.018 32.500 -0.323 0.000 0.724 65 K HN 0.487 nan 8.250 nan 0.000 0.446 66 F N 1.772 121.715 119.950 -0.011 0.000 2.367 66 F HA -0.000 4.527 4.527 -0.000 0.000 0.298 66 F C 2.130 177.924 175.800 -0.009 0.000 1.094 66 F CA 0.745 58.737 58.000 -0.013 0.000 1.409 66 F CB -0.082 38.912 39.000 -0.011 0.000 1.064 66 F HN 0.095 nan 8.300 nan 0.000 0.528 67 E N -0.096 120.190 120.200 0.143 0.000 2.122 67 E HA -0.158 4.193 4.350 0.001 0.000 0.190 67 E C 1.654 178.271 176.600 0.029 0.000 0.977 67 E CA 0.815 57.260 56.400 0.075 0.000 0.820 67 E CB -0.313 29.426 29.700 0.065 0.000 0.770 67 E HN 0.323 nan 8.360 nan 0.000 0.462 68 N N 1.296 119.998 118.700 0.003 0.000 2.094 68 N HA -0.186 4.555 4.740 0.001 0.000 0.191 68 N C 1.828 177.316 175.510 -0.036 0.000 1.023 68 N CA 1.408 54.443 53.050 -0.025 0.000 0.857 68 N CB -0.036 38.422 38.487 -0.048 0.000 1.013 68 N HN 0.057 nan 8.380 nan 0.000 0.426 69 M N -0.680 118.887 119.600 -0.054 0.000 2.106 69 M HA -0.124 4.357 4.480 0.001 0.000 0.259 69 M C 2.160 178.448 176.300 -0.019 0.000 1.068 69 M CA 1.845 57.114 55.300 -0.052 0.000 1.100 69 M CB -0.680 31.881 32.600 -0.065 0.000 1.351 69 M HN 0.382 nan 8.290 nan 0.000 0.404 70 G N -0.326 108.476 108.800 0.002 0.000 2.433 70 G HA2 -0.131 3.830 3.960 0.001 0.000 0.216 70 G HA3 -0.131 3.830 3.960 0.001 0.000 0.216 70 G C 1.606 176.508 174.900 0.003 0.000 1.186 70 G CA 0.957 46.063 45.100 0.010 0.000 0.779 70 G HN 0.549 nan 8.290 nan 0.000 0.543 71 A N -0.083 122.738 122.820 0.002 0.000 1.908 71 A HA -0.105 4.216 4.320 0.001 0.000 0.218 71 A C 2.382 179.961 177.584 -0.008 0.000 1.181 71 A CA 2.000 54.037 52.037 -0.001 0.000 0.627 71 A CB -0.407 18.593 19.000 -0.001 0.000 0.818 71 A HN 0.343 nan 8.150 nan 0.000 0.445 72 Q N -0.913 118.878 119.800 -0.016 0.000 2.124 72 Q HA -0.120 4.221 4.340 0.001 0.000 0.202 72 Q C 2.208 178.195 176.000 -0.021 0.000 0.977 72 Q CA 1.565 57.354 55.803 -0.022 0.000 0.850 72 Q CB -0.339 28.380 28.738 -0.033 0.000 0.901 72 Q HN 0.783 nan 8.270 nan 0.000 0.429 73 M N 0.075 119.665 119.600 -0.017 0.000 2.099 73 M HA -0.135 4.346 4.480 0.001 0.000 0.262 73 M C 2.213 178.508 176.300 -0.008 0.000 1.067 73 M CA 1.307 56.599 55.300 -0.013 0.000 1.124 73 M CB -0.302 32.293 32.600 -0.008 0.000 1.353 73 M HN 0.075 nan 8.290 nan 0.000 0.410 74 V N -1.743 118.170 119.914 -0.001 0.000 3.078 74 V HA -0.153 3.968 4.120 0.001 0.000 0.265 74 V C 1.951 178.044 176.094 -0.002 0.000 1.122 74 V CA 1.401 63.703 62.300 0.004 0.000 1.141 74 V CB -1.280 30.550 31.823 0.011 0.000 0.735 74 V HN 0.450 nan 8.190 nan 0.000 0.498 75 K N 0.843 121.238 120.400 -0.009 0.000 2.147 75 K HA -0.244 4.077 4.320 0.001 0.000 0.205 75 K C 2.231 178.814 176.600 -0.029 0.000 1.049 75 K CA 1.892 58.169 56.287 -0.016 0.000 0.936 75 K CB -0.052 32.437 32.500 -0.018 0.000 0.722 75 K HN 0.715 nan 8.250 nan 0.000 0.446 76 E N 0.022 120.201 120.200 -0.035 0.000 2.046 76 E HA -0.153 4.198 4.350 0.001 0.000 0.190 76 E C 1.898 178.449 176.600 -0.080 0.000 0.982 76 E CA 0.999 57.363 56.400 -0.061 0.000 0.800 76 E CB 0.026 29.692 29.700 -0.058 0.000 0.756 76 E HN 0.184 nan 8.360 nan 0.000 0.449 77 V N 0.778 120.669 119.914 -0.038 0.000 2.332 77 V HA -0.255 3.866 4.120 0.001 0.000 0.248 77 V C 2.183 178.278 176.094 0.002 0.000 1.055 77 V CA 2.332 64.630 62.300 -0.003 0.000 1.038 77 V CB -0.518 31.342 31.823 0.063 0.000 0.651 77 V HN 0.427 nan 8.190 nan 0.000 0.450 78 A N -0.949 121.871 122.820 -0.000 0.000 1.902 78 A HA -0.200 4.121 4.320 0.001 0.000 0.217 78 A C 2.538 180.110 177.584 -0.021 0.000 1.181 78 A CA 2.389 54.429 52.037 0.005 0.000 0.623 78 A CB -1.083 17.920 19.000 0.005 0.000 0.818 78 A HN 0.607 nan 8.150 nan 0.000 0.443 79 S N -0.793 114.875 115.700 -0.053 0.000 2.343 79 S HA -0.150 4.321 4.470 0.001 0.000 0.219 79 S C 2.168 176.692 174.600 -0.127 0.000 1.033 79 S CA 1.471 59.624 58.200 -0.077 0.000 1.014 79 S CB -0.272 62.880 63.200 -0.080 0.000 0.915 79 S HN 0.466 nan 8.310 nan 0.000 0.435 80 K N 1.128 121.382 120.400 -0.242 0.000 2.160 80 K HA -0.060 4.260 4.320 0.001 0.000 0.206 80 K C 2.172 178.601 176.600 -0.284 0.000 1.047 80 K CA 1.134 57.128 56.287 -0.488 0.000 0.930 80 K CB -0.707 31.164 32.500 -1.048 0.000 0.720 80 K HN 0.425 nan 8.250 nan 0.000 0.450 81 A N 1.959 124.777 122.820 -0.004 0.000 1.845 81 A HA -0.222 4.099 4.320 0.001 0.000 0.215 81 A C 2.055 179.683 177.584 0.073 0.000 1.195 81 A CA 1.888 54.038 52.037 0.189 0.000 0.616 81 A CB -0.830 18.269 19.000 0.165 0.000 0.832 81 A HN 0.490 nan 8.150 nan 0.000 0.443 82 N N -0.422 118.283 118.700 0.010 0.000 2.166 82 N HA -0.200 4.541 4.740 0.001 0.000 0.186 82 N C 0.924 176.386 175.510 -0.079 0.000 1.019 82 N CA 1.703 54.735 53.050 -0.031 0.000 0.856 82 N CB -0.274 38.198 38.487 -0.025 0.000 0.993 82 N HN 0.381 nan 8.380 nan 0.000 0.426 83 D N 0.507 120.863 120.400 -0.072 0.000 2.144 83 D HA -0.053 4.588 4.640 0.001 0.000 0.200 83 D C 1.702 177.963 176.300 -0.064 0.000 0.978 83 D CA 1.073 55.025 54.000 -0.081 0.000 0.833 83 D CB -0.236 40.511 40.800 -0.089 0.000 0.961 83 D HN 0.443 nan 8.370 nan 0.000 0.470 84 A N -0.143 122.668 122.820 -0.015 0.000 1.984 84 A HA 0.433 4.754 4.320 0.001 0.000 0.214 84 A C 1.795 179.387 177.584 0.015 0.000 1.173 84 A CA 1.301 53.362 52.037 0.040 0.000 0.673 84 A CB 0.328 19.433 19.000 0.175 0.000 0.830 84 A HN 0.194 nan 8.150 nan 0.000 0.453 85 A N -3.180 119.637 122.820 -0.004 0.000 2.704 85 A HA 0.484 4.805 4.320 0.001 0.000 0.260 85 A C 1.591 179.165 177.584 -0.017 0.000 1.144 85 A CA 0.938 52.980 52.037 0.007 0.000 0.985 85 A CB -0.408 18.626 19.000 0.056 0.000 1.256 85 A HN 1.844 nan 8.150 nan 0.000 0.598 86 G N 0.149 108.875 108.800 -0.123 0.000 3.444 86 G HA2 -0.371 3.590 3.960 0.001 0.000 0.222 86 G HA3 -0.371 3.590 3.960 0.001 0.000 0.222 86 G C 0.480 175.401 174.900 0.035 0.000 1.358 86 G CA 1.145 46.187 45.100 -0.098 0.000 0.880 86 G HN 0.779 nan 8.290 nan 0.000 0.555 87 D N -1.701 118.735 120.400 0.059 0.000 2.887 87 D HA 0.520 5.160 4.640 0.001 0.000 0.221 87 D C 1.525 177.856 176.300 0.053 0.000 1.276 87 D CA 1.485 55.519 54.000 0.057 0.000 1.078 87 D CB 0.103 40.940 40.800 0.062 0.000 1.217 87 D HN 1.524 nan 8.370 nan 0.000 0.631 88 G N -0.735 108.094 108.800 0.048 0.000 2.166 88 G HA2 -0.318 3.643 3.960 0.001 0.000 0.260 88 G HA3 -0.318 3.643 3.960 0.001 0.000 0.260 88 G C 1.012 175.942 174.900 0.050 0.000 0.986 88 G CA 2.029 47.157 45.100 0.045 0.000 0.683 88 G HN 0.668 nan 8.290 nan 0.000 0.527 89 T N -2.623 111.958 114.554 0.046 0.000 2.668 89 T HA -0.095 4.256 4.350 0.001 0.000 0.262 89 T C 2.218 176.940 174.700 0.038 0.000 1.045 89 T CA 2.418 64.544 62.100 0.043 0.000 1.152 89 T CB -0.813 68.075 68.868 0.035 0.000 0.864 89 T HN 0.294 nan 8.240 nan 0.000 0.419 90 T N 2.022 116.596 114.554 0.032 0.000 2.788 90 T HA -0.093 4.258 4.350 0.001 0.000 0.268 90 T C 2.244 176.961 174.700 0.029 0.000 1.044 90 T CA 1.798 63.915 62.100 0.028 0.000 1.139 90 T CB -1.014 67.868 68.868 0.025 0.000 0.867 90 T HN 0.572 nan 8.240 nan 0.000 0.454 91 T N 2.304 116.876 114.554 0.031 0.000 2.652 91 T HA -0.127 4.224 4.350 0.001 0.000 0.267 91 T C 2.432 177.151 174.700 0.033 0.000 1.039 91 T CA 1.343 63.461 62.100 0.029 0.000 1.153 91 T CB -0.709 68.175 68.868 0.028 0.000 0.863 91 T HN 0.459 nan 8.240 nan 0.000 0.428 92 A N 1.396 124.242 122.820 0.043 0.000 1.908 92 A HA -0.151 4.170 4.320 0.001 0.000 0.218 92 A C 2.583 180.196 177.584 0.048 0.000 1.181 92 A CA 2.200 54.270 52.037 0.056 0.000 0.627 92 A CB -1.311 17.743 19.000 0.090 0.000 0.818 92 A HN 0.515 nan 8.150 nan 0.000 0.445 93 T N -0.553 114.025 114.554 0.040 0.000 2.777 93 T HA -0.088 4.263 4.350 0.001 0.000 0.266 93 T C 1.875 176.591 174.700 0.028 0.000 1.040 93 T CA 1.442 63.561 62.100 0.032 0.000 1.141 93 T CB -0.410 68.475 68.868 0.027 0.000 0.868 93 T HN 0.144 nan 8.240 nan 0.000 0.444 94 V N 1.524 121.454 119.914 0.026 0.000 2.295 94 V HA -0.117 4.004 4.120 0.001 0.000 0.246 94 V C 2.498 178.605 176.094 0.023 0.000 1.049 94 V CA 1.459 63.773 62.300 0.023 0.000 1.024 94 V CB -0.671 31.165 31.823 0.022 0.000 0.648 94 V HN 0.417 nan 8.190 nan 0.000 0.447 95 L N -0.091 121.147 121.223 0.025 0.000 2.012 95 L HA -0.190 4.151 4.340 0.001 0.000 0.210 95 L C 2.736 179.621 176.870 0.025 0.000 1.073 95 L CA 1.670 56.524 54.840 0.023 0.000 0.748 95 L CB -0.828 41.244 42.059 0.022 0.000 0.891 95 L HN 0.365 nan 8.230 nan 0.000 0.431 96 A N 0.619 123.457 122.820 0.030 0.000 1.865 96 A HA -0.301 4.020 4.320 0.001 0.000 0.217 96 A C 2.243 179.842 177.584 0.024 0.000 1.191 96 A CA 2.052 54.107 52.037 0.030 0.000 0.623 96 A CB -0.791 18.230 19.000 0.035 0.000 0.826 96 A HN 0.632 nan 8.150 nan 0.000 0.444 97 Q N -0.723 119.091 119.800 0.023 0.000 2.170 97 Q HA 0.063 4.404 4.340 0.001 0.000 0.203 97 Q C 1.942 177.953 176.000 0.018 0.000 0.976 97 Q CA 1.708 57.522 55.803 0.020 0.000 0.858 97 Q CB -0.503 28.246 28.738 0.019 0.000 0.907 97 Q HN 0.500 nan 8.270 nan 0.000 0.433 98 A N 1.352 124.183 122.820 0.018 0.000 1.897 98 A HA -0.037 4.284 4.320 0.001 0.000 0.215 98 A C 2.133 179.727 177.584 0.016 0.000 1.181 98 A CA 1.101 53.148 52.037 0.017 0.000 0.620 98 A CB -0.531 18.479 19.000 0.016 0.000 0.821 98 A HN 0.408 nan 8.150 nan 0.000 0.443 99 I N -0.279 120.301 120.570 0.017 0.000 2.226 99 I HA -0.257 3.914 4.170 0.001 0.000 0.245 99 I C 2.254 178.381 176.117 0.017 0.000 1.100 99 I CA 1.281 62.591 61.300 0.017 0.000 1.374 99 I CB -0.340 37.671 38.000 0.018 0.000 1.057 99 I HN 0.288 nan 8.210 nan 0.000 0.413 100 I N 0.260 120.841 120.570 0.018 0.000 2.226 100 I HA -0.276 3.895 4.170 0.001 0.000 0.245 100 I C 2.554 178.681 176.117 0.017 0.000 1.100 100 I CA 1.516 62.827 61.300 0.018 0.000 1.374 100 I CB -0.562 37.449 38.000 0.019 0.000 1.057 100 I HN 0.232 nan 8.210 nan 0.000 0.413 101 T N 0.190 114.754 114.554 0.016 0.000 2.643 101 T HA -0.156 4.195 4.350 0.001 0.000 0.264 101 T C 1.798 176.506 174.700 0.014 0.000 1.045 101 T CA 1.305 63.414 62.100 0.015 0.000 1.155 101 T CB -0.172 68.704 68.868 0.014 0.000 0.863 101 T HN 0.298 nan 8.240 nan 0.000 0.420 102 E N 0.554 120.762 120.200 0.013 0.000 2.216 102 E HA 0.034 4.385 4.350 0.001 0.000 0.192 102 E C 2.478 179.085 176.600 0.012 0.000 0.988 102 E CA 0.693 57.100 56.400 0.012 0.000 0.834 102 E CB -0.552 29.155 29.700 0.011 0.000 0.772 102 E HN 0.566 nan 8.360 nan 0.000 0.479 103 G N 1.401 110.209 108.800 0.013 0.000 2.404 103 G HA2 -0.187 3.774 3.960 0.001 0.000 0.215 103 G HA3 -0.187 3.774 3.960 0.001 0.000 0.215 103 G C 1.727 176.636 174.900 0.015 0.000 1.174 103 G CA 0.241 45.350 45.100 0.014 0.000 0.780 103 G HN 0.149 nan 8.290 nan 0.000 0.537 104 L N 0.226 121.459 121.223 0.016 0.000 2.083 104 L HA -0.050 4.291 4.340 0.001 0.000 0.209 104 L C 2.808 179.688 176.870 0.015 0.000 1.083 104 L CA 1.353 56.203 54.840 0.017 0.000 0.752 104 L CB -0.332 41.738 42.059 0.018 0.000 0.899 104 L HN 0.234 nan 8.230 nan 0.000 0.433 105 K N 0.604 121.012 120.400 0.013 0.000 2.020 105 K HA -0.254 4.067 4.320 0.001 0.000 0.212 105 K C 2.125 178.731 176.600 0.011 0.000 1.050 105 K CA 1.749 58.043 56.287 0.012 0.000 0.929 105 K CB -0.126 32.380 32.500 0.010 0.000 0.714 105 K HN 0.279 nan 8.250 nan 0.000 0.443 106 A N 0.645 123.472 122.820 0.011 0.000 1.902 106 A HA -0.107 4.214 4.320 0.001 0.000 0.217 106 A C 2.274 179.866 177.584 0.013 0.000 1.181 106 A CA 1.663 53.707 52.037 0.011 0.000 0.623 106 A CB -0.659 18.347 19.000 0.011 0.000 0.818 106 A HN 0.201 nan 8.150 nan 0.000 0.443 107 V N -0.178 119.744 119.914 0.015 0.000 2.392 107 V HA -0.266 3.855 4.120 0.001 0.000 0.249 107 V C 2.999 179.104 176.094 0.018 0.000 1.059 107 V CA 2.016 64.326 62.300 0.017 0.000 1.051 107 V CB -1.104 30.731 31.823 0.020 0.000 0.658 107 V HN 0.623 nan 8.190 nan 0.000 0.455 108 A N -0.324 122.506 122.820 0.016 0.000 1.968 108 A HA 0.050 4.370 4.320 0.001 0.000 0.217 108 A C 2.385 179.976 177.584 0.012 0.000 1.169 108 A CA 1.567 53.613 52.037 0.015 0.000 0.638 108 A CB -0.584 18.425 19.000 0.014 0.000 0.812 108 A HN 0.547 nan 8.150 nan 0.000 0.446 109 A N -1.709 121.117 122.820 0.011 0.000 1.972 109 A HA 0.311 4.632 4.320 0.001 0.000 0.219 109 A C 1.866 179.455 177.584 0.009 0.000 1.169 109 A CA 2.046 54.088 52.037 0.009 0.000 0.635 109 A CB -0.550 18.454 19.000 0.008 0.000 0.810 109 A HN 1.634 nan 8.150 nan 0.000 0.446 110 G N -3.656 105.150 108.800 0.011 0.000 2.902 110 G HA2 0.003 3.964 3.960 0.001 0.000 0.215 110 G HA3 0.003 3.964 3.960 0.001 0.000 0.215 110 G C 0.057 174.965 174.900 0.012 0.000 0.976 110 G CA -0.004 45.102 45.100 0.011 0.000 0.794 110 G HN 0.186 nan 8.290 nan 0.000 0.557 111 M N 1.513 121.120 119.600 0.012 0.000 2.240 111 M HA 0.323 4.804 4.480 0.001 0.000 0.317 111 M C 0.657 176.965 176.300 0.014 0.000 1.087 111 M CA -0.392 54.916 55.300 0.012 0.000 1.176 111 M CB 0.182 32.789 32.600 0.011 0.000 1.439 111 M HN 0.222 nan 8.290 nan 0.000 0.452 112 N N 2.415 121.123 118.700 0.013 0.000 2.431 112 N HA 0.126 4.867 4.740 0.001 0.000 0.265 112 N C -2.159 173.360 175.510 0.014 0.000 1.184 112 N CA -1.546 51.513 53.050 0.014 0.000 0.943 112 N CB 0.651 39.145 38.487 0.013 0.000 1.080 112 N HN 0.244 nan 8.380 nan 0.000 0.477 113 P HA -0.115 nan 4.420 nan 0.000 0.218 113 P C 1.292 178.601 177.300 0.015 0.000 1.149 113 P CA 0.937 64.046 63.100 0.016 0.000 0.817 113 P CB 0.162 31.872 31.700 0.018 0.000 0.785 114 M N -0.447 119.161 119.600 0.014 0.000 2.175 114 M HA -0.094 4.387 4.480 0.001 0.000 0.264 114 M C 1.252 177.559 176.300 0.012 0.000 1.063 114 M CA 1.776 57.084 55.300 0.013 0.000 1.119 114 M CB -0.950 31.657 32.600 0.013 0.000 1.377 114 M HN -0.249 nan 8.290 nan 0.000 0.415 115 D N -0.398 120.009 120.400 0.011 0.000 2.224 115 D HA -0.048 4.593 4.640 0.001 0.000 0.205 115 D C 2.072 178.377 176.300 0.010 0.000 0.965 115 D CA 0.991 54.997 54.000 0.010 0.000 0.852 115 D CB -0.163 40.642 40.800 0.009 0.000 0.947 115 D HN 0.368 nan 8.370 nan 0.000 0.494 116 L N 0.760 121.989 121.223 0.011 0.000 2.012 116 L HA -0.184 4.156 4.340 0.001 0.000 0.210 116 L C 2.536 179.413 176.870 0.011 0.000 1.073 116 L CA 1.226 56.073 54.840 0.011 0.000 0.748 116 L CB -0.313 41.753 42.059 0.012 0.000 0.891 116 L HN -0.039 nan 8.230 nan 0.000 0.431 117 K N 0.235 120.643 120.400 0.012 0.000 2.026 117 K HA -0.190 4.131 4.320 0.001 0.000 0.208 117 K C 2.301 178.907 176.600 0.011 0.000 1.048 117 K CA 1.351 57.646 56.287 0.013 0.000 0.929 117 K CB 0.007 32.516 32.500 0.014 0.000 0.713 117 K HN 0.185 nan 8.250 nan 0.000 0.439 118 R N -0.576 119.930 120.500 0.010 0.000 2.105 118 R HA -0.119 4.222 4.340 0.001 0.000 0.239 118 R C 2.394 178.698 176.300 0.007 0.000 1.135 118 R CA 1.375 57.480 56.100 0.008 0.000 0.967 118 R CB -0.405 29.900 30.300 0.008 0.000 0.861 118 R HN 0.367 nan 8.270 nan 0.000 0.442 119 G N 0.959 109.763 108.800 0.007 0.000 2.394 119 G HA2 -0.184 3.777 3.960 0.001 0.000 0.215 119 G HA3 -0.184 3.777 3.960 0.001 0.000 0.215 119 G C 1.442 176.345 174.900 0.006 0.000 1.165 119 G CA 0.362 45.465 45.100 0.006 0.000 0.784 119 G HN 0.125 nan 8.290 nan 0.000 0.535 120 I N 1.207 121.781 120.570 0.007 0.000 2.099 120 I HA -0.180 3.991 4.170 0.001 0.000 0.239 120 I C 2.383 178.503 176.117 0.004 0.000 1.066 120 I CA 1.486 62.790 61.300 0.007 0.000 1.324 120 I CB -0.232 37.774 38.000 0.010 0.000 1.037 120 I HN 0.036 nan 8.210 nan 0.000 0.401 121 D N 0.688 121.091 120.400 0.006 0.000 2.123 121 D HA -0.219 4.422 4.640 0.001 0.000 0.196 121 D C 2.076 178.377 176.300 0.001 0.000 0.992 121 D CA 1.235 55.238 54.000 0.004 0.000 0.833 121 D CB -0.265 40.540 40.800 0.007 0.000 0.954 121 D HN 0.273 nan 8.370 nan 0.000 0.455 122 K N 0.416 120.817 120.400 0.002 0.000 2.057 122 K HA -0.089 4.232 4.320 0.001 0.000 0.207 122 K C 2.002 178.602 176.600 -0.001 0.000 1.049 122 K CA 1.245 57.532 56.287 0.001 0.000 0.931 122 K CB -0.032 32.469 32.500 0.002 0.000 0.714 122 K HN 0.045 nan 8.250 nan 0.000 0.440 123 A N 0.556 123.376 122.820 -0.000 0.000 1.877 123 A HA -0.102 4.219 4.320 0.001 0.000 0.216 123 A C 2.233 179.815 177.584 -0.004 0.000 1.186 123 A CA 1.533 53.569 52.037 -0.001 0.000 0.620 123 A CB -0.628 18.372 19.000 0.001 0.000 0.822 123 A HN 0.170 nan 8.150 nan 0.000 0.443 124 V N -0.174 119.737 119.914 -0.006 0.000 2.295 124 V HA -0.233 3.888 4.120 0.001 0.000 0.246 124 V C 2.771 178.855 176.094 -0.017 0.000 1.049 124 V CA 2.498 64.790 62.300 -0.013 0.000 1.024 124 V CB -1.236 30.579 31.823 -0.014 0.000 0.648 124 V HN 0.621 nan 8.190 nan 0.000 0.447 125 T N 0.449 114.996 114.554 -0.012 0.000 2.652 125 T HA -0.220 4.131 4.350 0.001 0.000 0.267 125 T C 2.063 176.756 174.700 -0.011 0.000 1.039 125 T CA 1.822 63.915 62.100 -0.012 0.000 1.153 125 T CB -0.509 68.355 68.868 -0.007 0.000 0.863 125 T HN 0.581 nan 8.240 nan 0.000 0.428 126 A N 1.583 124.398 122.820 -0.007 0.000 1.865 126 A HA 0.096 4.417 4.320 0.001 0.000 0.217 126 A C 2.690 180.269 177.584 -0.007 0.000 1.191 126 A CA 2.066 54.100 52.037 -0.006 0.000 0.623 126 A CB -1.292 17.706 19.000 -0.003 0.000 0.826 126 A HN 0.522 nan 8.150 nan 0.000 0.444 127 A N -0.746 122.069 122.820 -0.008 0.000 1.940 127 A HA -0.036 4.284 4.320 0.001 0.000 0.219 127 A C 2.236 179.812 177.584 -0.013 0.000 1.176 127 A CA 1.851 53.883 52.037 -0.009 0.000 0.631 127 A CB -0.991 18.004 19.000 -0.009 0.000 0.814 127 A HN 0.425 nan 8.150 nan 0.000 0.446 128 V N 0.135 120.037 119.914 -0.020 0.000 2.407 128 V HA -0.187 3.934 4.120 0.001 0.000 0.248 128 V C 2.322 178.404 176.094 -0.020 0.000 1.055 128 V CA 2.194 64.477 62.300 -0.028 0.000 1.049 128 V CB -0.506 31.294 31.823 -0.038 0.000 0.662 128 V HN 0.558 nan 8.190 nan 0.000 0.455 129 E N -1.160 119.032 120.200 -0.014 0.000 2.415 129 E HA -0.007 4.344 4.350 0.001 0.000 0.197 129 E C 2.119 178.716 176.600 -0.005 0.000 1.007 129 E CA -0.011 56.384 56.400 -0.009 0.000 0.890 129 E CB 0.008 29.703 29.700 -0.008 0.000 0.891 129 E HN 0.583 nan 8.360 nan 0.000 0.496 130 E N 1.107 121.304 120.200 -0.004 0.000 2.160 130 E HA -0.129 4.222 4.350 0.001 0.000 0.195 130 E C 2.210 178.810 176.600 0.000 0.000 0.991 130 E CA 0.532 56.931 56.400 -0.001 0.000 0.810 130 E CB -0.130 29.570 29.700 -0.000 0.000 0.742 130 E HN 0.297 nan 8.360 nan 0.000 0.466 131 L N 0.506 121.728 121.223 -0.002 0.000 2.127 131 L HA -0.193 4.148 4.340 0.001 0.000 0.211 131 L C 1.950 178.820 176.870 0.001 0.000 1.089 131 L CA 1.093 55.933 54.840 -0.000 0.000 0.757 131 L CB -0.230 41.826 42.059 -0.005 0.000 0.899 131 L HN -0.068 nan 8.230 nan 0.000 0.434 132 K N -0.067 120.332 120.400 -0.001 0.000 2.487 132 K HA 0.088 4.409 4.320 0.001 0.000 0.192 132 K C 1.678 178.279 176.600 0.002 0.000 1.027 132 K CA 0.618 56.905 56.287 -0.000 0.000 1.054 132 K CB -0.114 32.385 32.500 -0.002 0.000 0.824 132 K HN 0.190 nan 8.250 nan 0.000 0.510 133 A N -0.359 122.463 122.820 0.003 0.000 2.123 133 A HA 0.060 4.381 4.320 0.001 0.000 0.214 133 A C 1.425 179.013 177.584 0.008 0.000 1.152 133 A CA 0.833 52.873 52.037 0.005 0.000 0.728 133 A CB 0.016 19.019 19.000 0.005 0.000 0.814 133 A HN 0.167 nan 8.150 nan 0.000 0.464 134 L N -1.721 119.507 121.223 0.009 0.000 2.500 134 L HA 0.236 4.577 4.340 0.001 0.000 0.219 134 L C 1.509 178.386 176.870 0.011 0.000 1.057 134 L CA 0.798 55.645 54.840 0.012 0.000 0.854 134 L CB -0.127 41.941 42.059 0.015 0.000 1.078 134 L HN 0.161 nan 8.230 nan 0.000 0.480 135 S N 1.489 117.194 115.700 0.008 0.000 4.051 135 S HA 0.172 4.643 4.470 0.001 0.000 0.215 135 S C 0.237 174.842 174.600 0.007 0.000 1.289 135 S CA -0.578 57.626 58.200 0.007 0.000 0.907 135 S CB -1.036 62.166 63.200 0.004 0.000 1.603 135 S HN 0.115 nan 8.310 nan 0.000 0.453 136 V N 3.411 123.330 119.914 0.008 0.000 2.617 136 V HA 0.292 4.413 4.120 0.001 0.000 0.304 136 V C -2.394 173.704 176.094 0.007 0.000 1.040 136 V CA -1.986 60.318 62.300 0.008 0.000 1.149 136 V CB -0.519 31.309 31.823 0.009 0.000 0.914 136 V HN 0.397 nan 8.190 nan 0.000 0.487 137 P HA 0.085 nan 4.420 nan 0.000 0.264 137 P C -0.050 177.253 177.300 0.006 0.000 1.193 137 P CA -0.133 62.971 63.100 0.006 0.000 0.763 137 P CB 0.386 32.090 31.700 0.006 0.000 0.810 138 C N 4.058 123.363 119.300 0.007 0.000 2.756 138 C HA 0.140 4.601 4.460 0.001 0.000 0.504 138 C C 1.344 176.337 174.990 0.005 0.000 1.028 138 C CA 0.227 59.249 59.018 0.006 0.000 1.167 138 C CB -2.466 25.278 27.740 0.008 0.000 1.444 138 C HN 0.579 nan 8.230 nan 0.000 0.577 139 S N 0.527 116.230 115.700 0.004 0.000 2.583 139 S HA 0.213 4.684 4.470 0.001 0.000 0.239 139 S C -0.321 174.280 174.600 0.002 0.000 0.966 139 S CA -0.498 57.704 58.200 0.004 0.000 0.973 139 S CB -0.321 62.881 63.200 0.004 0.000 0.794 139 S HN 0.901 nan 8.310 nan 0.000 0.463 140 D N -1.066 119.335 120.400 0.002 0.000 2.671 140 D HA 0.515 5.156 4.640 0.001 0.000 0.232 140 D C 0.507 176.807 176.300 -0.000 0.000 1.114 140 D CA -0.815 53.186 54.000 0.001 0.000 0.858 140 D CB 1.358 42.159 40.800 0.001 0.000 1.544 140 D HN -0.129 nan 8.370 nan 0.000 0.471 141 S N 0.933 116.632 115.700 -0.001 0.000 2.399 141 S HA -0.195 4.275 4.470 0.001 0.000 0.231 141 S C 1.606 176.203 174.600 -0.004 0.000 1.022 141 S CA 1.120 59.318 58.200 -0.003 0.000 0.983 141 S CB -0.301 62.897 63.200 -0.004 0.000 0.803 141 S HN 0.655 nan 8.310 nan 0.000 0.480 142 K N 1.775 122.173 120.400 -0.003 0.000 2.025 142 K HA -0.048 4.273 4.320 0.001 0.000 0.207 142 K C 2.301 178.899 176.600 -0.004 0.000 1.049 142 K CA 1.212 57.497 56.287 -0.004 0.000 0.933 142 K CB -0.438 32.059 32.500 -0.005 0.000 0.714 142 K HN 0.275 nan 8.250 nan 0.000 0.438 143 A N 1.496 124.315 122.820 -0.001 0.000 1.883 143 A HA -0.143 4.178 4.320 0.001 0.000 0.217 143 A C 2.131 179.715 177.584 0.001 0.000 1.186 143 A CA 1.654 53.691 52.037 0.000 0.000 0.624 143 A CB -0.643 18.358 19.000 0.002 0.000 0.822 143 A HN 0.378 nan 8.150 nan 0.000 0.444 144 I N -0.246 120.324 120.570 0.000 0.000 2.099 144 I HA -0.316 3.855 4.170 0.001 0.000 0.239 144 I C 3.036 179.152 176.117 -0.002 0.000 1.066 144 I CA 1.276 62.577 61.300 0.001 0.000 1.324 144 I CB -0.507 37.493 38.000 -0.000 0.000 1.037 144 I HN 0.356 nan 8.210 nan 0.000 0.401 145 A N 0.069 122.887 122.820 -0.004 0.000 1.917 145 A HA -0.308 4.013 4.320 0.001 0.000 0.219 145 A C 2.244 179.824 177.584 -0.006 0.000 1.182 145 A CA 1.969 54.002 52.037 -0.007 0.000 0.633 145 A CB -0.795 18.200 19.000 -0.008 0.000 0.819 145 A HN 0.536 nan 8.150 nan 0.000 0.448 146 Q N -0.491 119.306 119.800 -0.006 0.000 2.170 146 Q HA -0.120 4.221 4.340 0.001 0.000 0.203 146 Q C 2.114 178.112 176.000 -0.003 0.000 0.976 146 Q CA 1.874 57.673 55.803 -0.006 0.000 0.858 146 Q CB -0.471 28.263 28.738 -0.007 0.000 0.907 146 Q HN 0.782 nan 8.270 nan 0.000 0.433 147 V N -3.010 116.904 119.914 0.001 0.000 2.809 147 V HA 0.001 4.122 4.120 0.001 0.000 0.256 147 V C 1.865 177.963 176.094 0.007 0.000 1.080 147 V CA 1.717 64.021 62.300 0.006 0.000 1.102 147 V CB -1.151 30.678 31.823 0.011 0.000 0.705 147 V HN 0.296 nan 8.190 nan 0.000 0.475 148 G N 0.674 109.475 108.800 0.001 0.000 2.404 148 G HA2 -0.170 3.791 3.960 0.001 0.000 0.214 148 G HA3 -0.170 3.791 3.960 0.001 0.000 0.214 148 G C 1.549 176.448 174.900 -0.003 0.000 1.189 148 G CA 1.328 46.427 45.100 -0.002 0.000 0.789 148 G HN 0.457 nan 8.290 nan 0.000 0.533 149 T N 1.504 116.054 114.554 -0.006 0.000 2.737 149 T HA -0.163 4.188 4.350 0.001 0.000 0.269 149 T C 2.296 176.992 174.700 -0.007 0.000 1.040 149 T CA 1.174 63.269 62.100 -0.008 0.000 1.142 149 T CB -0.133 68.729 68.868 -0.011 0.000 0.861 149 T HN 0.111 nan 8.240 nan 0.000 0.456 150 I N 0.543 121.111 120.570 -0.004 0.000 2.113 150 I HA -0.103 4.068 4.170 0.001 0.000 0.238 150 I C 2.651 178.769 176.117 0.003 0.000 1.070 150 I CA 1.366 62.665 61.300 -0.002 0.000 1.332 150 I CB -0.456 37.544 38.000 0.000 0.000 1.044 150 I HN 0.122 nan 8.210 nan 0.000 0.402 151 S N -0.738 114.968 115.700 0.009 0.000 2.458 151 S HA 0.157 4.628 4.470 0.001 0.000 0.223 151 S C 2.053 176.660 174.600 0.011 0.000 1.019 151 S CA 0.636 58.844 58.200 0.014 0.000 0.937 151 S CB -0.209 63.005 63.200 0.024 0.000 0.788 151 S HN 0.418 nan 8.310 nan 0.000 0.511 152 A N 1.571 124.395 122.820 0.007 0.000 2.172 152 A HA 0.112 4.433 4.320 0.001 0.000 0.216 152 A C 0.719 178.303 177.584 -0.000 0.000 1.154 152 A CA 0.516 52.555 52.037 0.003 0.000 0.701 152 A CB -0.446 18.553 19.000 -0.002 0.000 0.789 152 A HN 0.668 nan 8.150 nan 0.000 0.465 153 N N -1.256 117.443 118.700 -0.002 0.000 2.606 153 N HA -0.175 4.565 4.740 0.001 0.000 0.274 153 N C 0.180 175.684 175.510 -0.009 0.000 1.242 153 N CA 0.718 53.765 53.050 -0.005 0.000 0.648 153 N CB -1.128 37.358 38.487 -0.002 0.000 0.904 153 N HN 0.449 nan 8.380 nan 0.000 0.550 154 S N -0.596 115.096 115.700 -0.013 0.000 2.857 154 S HA -0.204 4.267 4.470 0.001 0.000 0.268 154 S C -0.127 174.464 174.600 -0.014 0.000 1.297 154 S CA 1.096 59.286 58.200 -0.016 0.000 1.280 154 S CB -0.739 62.450 63.200 -0.018 0.000 1.562 154 S HN 0.759 nan 8.310 nan 0.000 0.661 155 D N 1.909 122.302 120.400 -0.012 0.000 2.455 155 D HA 0.152 4.793 4.640 0.001 0.000 0.234 155 D C 1.076 177.368 176.300 -0.012 0.000 1.224 155 D CA 0.174 54.167 54.000 -0.011 0.000 0.999 155 D CB 0.232 41.026 40.800 -0.010 0.000 1.072 155 D HN 0.554 nan 8.370 nan 0.000 0.514 156 E N 0.495 120.687 120.200 -0.013 0.000 2.204 156 E HA -0.131 4.220 4.350 0.001 0.000 0.194 156 E C 1.767 178.360 176.600 -0.012 0.000 0.989 156 E CA 1.002 57.394 56.400 -0.013 0.000 0.824 156 E CB 0.316 30.007 29.700 -0.014 0.000 0.756 156 E HN 0.540 nan 8.360 nan 0.000 0.477 157 T N -0.186 114.361 114.554 -0.012 0.000 2.674 157 T HA -0.135 4.216 4.350 0.001 0.000 0.265 157 T C 2.168 176.860 174.700 -0.013 0.000 1.039 157 T CA 1.063 63.156 62.100 -0.012 0.000 1.150 157 T CB -0.647 68.215 68.868 -0.011 0.000 0.864 157 T HN -0.038 nan 8.240 nan 0.000 0.427 158 V N 2.019 121.925 119.914 -0.013 0.000 2.407 158 V HA -0.030 4.091 4.120 0.001 0.000 0.248 158 V C 3.020 179.104 176.094 -0.016 0.000 1.055 158 V CA 1.814 64.104 62.300 -0.016 0.000 1.049 158 V CB -1.529 30.284 31.823 -0.017 0.000 0.662 158 V HN 0.686 nan 8.190 nan 0.000 0.455 159 G N -0.136 108.655 108.800 -0.014 0.000 2.433 159 G HA2 -0.340 3.621 3.960 0.001 0.000 0.216 159 G HA3 -0.340 3.621 3.960 0.001 0.000 0.216 159 G C 1.596 176.488 174.900 -0.012 0.000 1.186 159 G CA 1.245 46.337 45.100 -0.013 0.000 0.779 159 G HN 0.454 nan 8.290 nan 0.000 0.543 160 K N -0.102 120.291 120.400 -0.012 0.000 2.063 160 K HA -0.011 4.310 4.320 0.001 0.000 0.208 160 K C 2.357 178.950 176.600 -0.011 0.000 1.048 160 K CA 0.934 57.214 56.287 -0.011 0.000 0.928 160 K CB -0.645 31.849 32.500 -0.010 0.000 0.713 160 K HN 0.239 nan 8.250 nan 0.000 0.442 161 L N 0.593 121.808 121.223 -0.013 0.000 2.012 161 L HA -0.094 4.247 4.340 0.001 0.000 0.210 161 L C 2.016 178.877 176.870 -0.015 0.000 1.073 161 L CA 1.712 56.543 54.840 -0.014 0.000 0.748 161 L CB -0.319 41.731 42.059 -0.016 0.000 0.891 161 L HN 0.266 nan 8.230 nan 0.000 0.431 162 I N -1.086 119.473 120.570 -0.017 0.000 2.353 162 I HA -0.227 3.944 4.170 0.001 0.000 0.248 162 I C 2.533 178.642 176.117 -0.013 0.000 1.119 162 I CA 0.988 62.277 61.300 -0.019 0.000 1.417 162 I CB -0.623 37.362 38.000 -0.024 0.000 1.078 162 I HN 0.290 nan 8.210 nan 0.000 0.421 163 A N 0.502 123.316 122.820 -0.011 0.000 1.933 163 A HA -0.218 4.103 4.320 0.001 0.000 0.218 163 A C 2.239 179.818 177.584 -0.007 0.000 1.175 163 A CA 1.630 53.662 52.037 -0.008 0.000 0.628 163 A CB -0.532 18.464 19.000 -0.007 0.000 0.814 163 A HN 0.431 nan 8.150 nan 0.000 0.444 164 E N -0.349 119.846 120.200 -0.008 0.000 2.077 164 E HA -0.115 4.236 4.350 0.001 0.000 0.193 164 E C 2.366 178.961 176.600 -0.008 0.000 0.989 164 E CA 0.876 57.272 56.400 -0.008 0.000 0.800 164 E CB -0.279 29.416 29.700 -0.009 0.000 0.746 164 E HN 0.621 nan 8.360 nan 0.000 0.452 165 A N 1.240 124.055 122.820 -0.009 0.000 1.883 165 A HA -0.219 4.102 4.320 0.001 0.000 0.217 165 A C 2.179 179.759 177.584 -0.006 0.000 1.186 165 A CA 1.504 53.536 52.037 -0.009 0.000 0.624 165 A CB -0.492 18.501 19.000 -0.012 0.000 0.822 165 A HN 0.147 nan 8.150 nan 0.000 0.444 166 M N -1.125 118.472 119.600 -0.006 0.000 2.080 166 M HA -0.193 4.288 4.480 0.001 0.000 0.260 166 M C 1.940 178.238 176.300 -0.002 0.000 1.068 166 M CA 2.150 57.448 55.300 -0.003 0.000 1.109 166 M CB -0.600 31.999 32.600 -0.002 0.000 1.342 166 M HN 0.515 nan 8.290 nan 0.000 0.405 167 D N 0.026 120.424 120.400 -0.003 0.000 2.263 167 D HA -0.132 4.509 4.640 0.001 0.000 0.208 167 D C 1.737 178.035 176.300 -0.003 0.000 0.971 167 D CA 1.195 55.194 54.000 -0.003 0.000 0.867 167 D CB 0.300 41.098 40.800 -0.004 0.000 0.929 167 D HN 0.087 nan 8.370 nan 0.000 0.492 168 K N -0.583 119.815 120.400 -0.004 0.000 2.044 168 K HA 0.039 4.360 4.320 0.001 0.000 0.204 168 K C 2.024 178.623 176.600 -0.002 0.000 1.045 168 K CA 1.109 57.394 56.287 -0.004 0.000 0.951 168 K CB -0.313 32.184 32.500 -0.005 0.000 0.738 168 K HN 0.165 nan 8.250 nan 0.000 0.443 169 V N -2.386 117.527 119.914 -0.002 0.000 3.052 169 V HA 0.297 4.417 4.120 0.001 0.000 0.254 169 V C 0.943 177.038 176.094 0.000 0.000 1.100 169 V CA 0.619 62.918 62.300 -0.001 0.000 1.112 169 V CB -1.002 30.821 31.823 -0.001 0.000 0.738 169 V HN 0.357 nan 8.190 nan 0.000 0.469 170 G N 0.782 109.583 108.800 0.000 0.000 2.741 170 G HA2 -0.271 3.690 3.960 0.001 0.000 0.222 170 G HA3 -0.271 3.690 3.960 0.001 0.000 0.222 170 G C 0.263 175.165 174.900 0.003 0.000 1.364 170 G CA 0.269 45.370 45.100 0.001 0.000 0.866 170 G HN 0.445 nan 8.290 nan 0.000 0.555 171 K N 0.247 120.649 120.400 0.003 0.000 2.160 171 K HA -0.090 4.231 4.320 0.001 0.000 0.206 171 K C 1.419 178.022 176.600 0.005 0.000 1.047 171 K CA 1.956 58.245 56.287 0.005 0.000 0.930 171 K CB -0.013 32.489 32.500 0.004 0.000 0.720 171 K HN 0.578 nan 8.250 nan 0.000 0.450 172 E N -0.093 120.110 120.200 0.004 0.000 3.306 172 E HA 0.157 4.508 4.350 0.001 0.000 0.197 172 E C -0.294 176.308 176.600 0.003 0.000 0.980 172 E CA -0.521 55.882 56.400 0.004 0.000 1.259 172 E CB 1.419 31.120 29.700 0.003 0.000 1.112 172 E HN 0.225 nan 8.360 nan 0.000 0.458 173 G N 0.041 108.843 108.800 0.003 0.000 2.597 173 G HA2 0.564 4.525 3.960 0.001 0.000 0.317 173 G HA3 0.564 4.525 3.960 0.001 0.000 0.317 173 G C -0.644 174.258 174.900 0.004 0.000 1.230 173 G CA -0.385 44.717 45.100 0.003 0.000 0.996 173 G HN 0.024 nan 8.290 nan 0.000 0.490 174 V N 0.196 120.112 119.914 0.003 0.000 2.715 174 V HA 0.583 4.704 4.120 0.001 0.000 0.310 174 V C -0.369 175.726 176.094 0.001 0.000 1.054 174 V CA -0.527 61.776 62.300 0.004 0.000 0.928 174 V CB 1.656 33.482 31.823 0.005 0.000 1.007 174 V HN 0.561 nan 8.190 nan 0.000 0.437 175 I N 3.309 123.880 120.570 0.000 0.000 2.533 175 I HA 0.612 4.783 4.170 0.001 0.000 0.290 175 I C -0.054 176.058 176.117 -0.008 0.000 1.056 175 I CA -0.311 60.985 61.300 -0.006 0.000 1.057 175 I CB 2.437 40.431 38.000 -0.011 0.000 1.240 175 I HN 0.771 nan 8.210 nan 0.000 0.423 176 T N 2.273 116.821 114.554 -0.011 0.000 2.888 176 T HA 0.815 5.166 4.350 0.001 0.000 0.288 176 T C -0.941 173.747 174.700 -0.020 0.000 1.063 176 T CA -0.992 61.102 62.100 -0.010 0.000 1.010 176 T CB 2.370 71.239 68.868 0.001 0.000 1.214 176 T HN 0.455 nan 8.240 nan 0.000 0.533 177 V N 0.338 120.240 119.914 -0.019 0.000 2.737 177 V HA 0.637 4.758 4.120 0.001 0.000 0.298 177 V C -1.857 174.230 176.094 -0.012 0.000 1.163 177 V CA -0.259 62.026 62.300 -0.026 0.000 0.925 177 V CB 1.438 33.230 31.823 -0.052 0.000 1.037 177 V HN 1.140 nan 8.190 nan 0.000 0.433 178 E N 3.214 123.409 120.200 -0.008 0.000 2.449 178 E HA 0.429 4.780 4.350 0.001 0.000 0.278 178 E C -1.729 174.870 176.600 -0.002 0.000 0.992 178 E CA -0.994 55.406 56.400 -0.000 0.000 0.807 178 E CB 2.137 31.838 29.700 0.003 0.000 1.350 178 E HN 0.791 nan 8.360 nan 0.000 0.462 179 D N 0.403 120.804 120.400 0.002 0.000 2.389 179 D HA 0.396 5.037 4.640 0.001 0.000 0.247 179 D C -0.051 176.248 176.300 -0.001 0.000 1.128 179 D CA 0.369 54.370 54.000 0.001 0.000 0.884 179 D CB 0.982 41.784 40.800 0.004 0.000 1.194 179 D HN 0.453 nan 8.370 nan 0.000 0.441 180 G N -0.631 108.167 108.800 -0.003 0.000 2.600 180 G HA2 0.449 4.410 3.960 0.001 0.000 0.303 180 G HA3 0.449 4.410 3.960 0.001 0.000 0.303 180 G C 0.615 175.513 174.900 -0.004 0.000 1.253 180 G CA -0.788 44.309 45.100 -0.004 0.000 0.974 180 G HN 0.451 nan 8.290 nan 0.000 0.483 181 T N -2.129 112.422 114.554 -0.005 0.000 3.107 181 T HA 0.325 4.676 4.350 0.001 0.000 0.249 181 T C 1.125 175.822 174.700 -0.004 0.000 1.096 181 T CA 0.374 62.471 62.100 -0.004 0.000 1.012 181 T CB 0.214 69.078 68.868 -0.006 0.000 0.977 181 T HN 0.711 nan 8.240 nan 0.000 0.527 182 G N 0.696 109.493 108.800 -0.005 0.000 2.504 182 G HA2 0.535 4.496 3.960 0.001 0.000 0.288 182 G HA3 0.535 4.496 3.960 0.001 0.000 0.288 182 G C 0.433 175.331 174.900 -0.004 0.000 1.182 182 G CA -0.933 44.164 45.100 -0.005 0.000 0.894 182 G HN 0.393 nan 8.290 nan 0.000 0.521 183 L N 0.084 121.305 121.223 -0.004 0.000 2.627 183 L HA 0.156 4.497 4.340 0.001 0.000 0.233 183 L C 0.430 177.298 176.870 -0.004 0.000 1.144 183 L CA 0.101 54.939 54.840 -0.003 0.000 0.892 183 L CB -0.704 41.353 42.059 -0.003 0.000 1.039 183 L HN 0.615 nan 8.230 nan 0.000 0.442 184 Q N -2.560 117.237 119.800 -0.005 0.000 2.829 184 Q HA 0.348 4.689 4.340 0.001 0.000 0.296 184 Q C -1.583 174.413 176.000 -0.007 0.000 0.893 184 Q CA -0.855 54.944 55.803 -0.006 0.000 0.772 184 Q CB 0.739 29.474 28.738 -0.006 0.000 1.489 184 Q HN -0.093 nan 8.270 nan 0.000 0.420 185 D N 0.148 120.544 120.400 -0.008 0.000 2.437 185 D HA 0.660 5.301 4.640 0.001 0.000 0.259 185 D C -0.459 175.835 176.300 -0.010 0.000 1.118 185 D CA -0.371 53.623 54.000 -0.009 0.000 1.017 185 D CB 1.336 42.130 40.800 -0.011 0.000 1.120 185 D HN 0.475 nan 8.370 nan 0.000 0.541 186 E N -0.192 120.001 120.200 -0.011 0.000 2.416 186 E HA 0.331 4.682 4.350 0.001 0.000 0.280 186 E C -1.789 174.803 176.600 -0.013 0.000 1.055 186 E CA -0.723 55.670 56.400 -0.012 0.000 0.825 186 E CB 2.633 32.326 29.700 -0.011 0.000 1.312 186 E HN 0.190 nan 8.360 nan 0.000 0.452 187 L N 2.171 123.386 121.223 -0.013 0.000 2.356 187 L HA 0.545 4.886 4.340 0.001 0.000 0.277 187 L C -1.245 175.617 176.870 -0.013 0.000 0.996 187 L CA -0.172 54.660 54.840 -0.013 0.000 0.822 187 L CB 1.280 43.331 42.059 -0.013 0.000 1.256 187 L HN 0.279 nan 8.230 nan 0.000 0.413 188 D N 3.417 123.809 120.400 -0.013 0.000 2.374 188 D HA 0.720 5.360 4.640 0.001 0.000 0.239 188 D C -1.123 175.169 176.300 -0.013 0.000 0.991 188 D CA -0.143 53.848 54.000 -0.014 0.000 0.960 188 D CB 2.621 43.411 40.800 -0.016 0.000 1.284 188 D HN 0.322 nan 8.370 nan 0.000 0.512 189 V N 0.776 120.682 119.914 -0.013 0.000 2.733 189 V HA 0.267 4.388 4.120 0.001 0.000 0.306 189 V C -0.295 175.791 176.094 -0.013 0.000 1.084 189 V CA -0.909 61.384 62.300 -0.011 0.000 0.905 189 V CB 2.160 33.977 31.823 -0.010 0.000 1.010 189 V HN 0.294 nan 8.190 nan 0.000 0.424 190 V N 4.182 124.089 119.914 -0.011 0.000 2.385 190 V HA 0.413 4.534 4.120 0.001 0.000 0.269 190 V C 0.151 176.241 176.094 -0.007 0.000 1.043 190 V CA -0.313 61.980 62.300 -0.012 0.000 0.906 190 V CB 1.108 32.925 31.823 -0.010 0.000 0.995 190 V HN 0.812 nan 8.190 nan 0.000 0.467 191 E N 2.726 122.921 120.200 -0.009 0.000 2.207 191 E HA 0.641 4.992 4.350 0.001 0.000 0.270 191 E C 0.694 177.291 176.600 -0.005 0.000 0.927 191 E CA 0.575 56.972 56.400 -0.005 0.000 0.799 191 E CB 2.171 31.867 29.700 -0.007 0.000 1.172 191 E HN 0.843 nan 8.360 nan 0.000 0.404 192 G N 2.567 111.368 108.800 0.002 0.000 2.523 192 G HA2 -0.293 3.668 3.960 0.001 0.000 0.271 192 G HA3 -0.293 3.668 3.960 0.001 0.000 0.271 192 G C -0.164 174.746 174.900 0.017 0.000 1.146 192 G CA 0.333 45.437 45.100 0.007 0.000 0.961 192 G HN 0.493 nan 8.290 nan 0.000 0.549 193 M N 0.481 120.092 119.600 0.019 0.000 2.433 193 M HA 0.663 5.144 4.480 0.001 0.000 0.290 193 M C -1.064 175.234 176.300 -0.004 0.000 1.173 193 M CA -0.551 54.775 55.300 0.044 0.000 0.905 193 M CB 2.181 34.844 32.600 0.105 0.000 1.692 193 M HN 0.911 nan 8.290 nan 0.000 0.462 194 Q N 3.467 123.270 119.800 0.005 0.000 2.340 194 Q HA 0.730 5.071 4.340 0.001 0.000 0.276 194 Q C -2.109 173.905 176.000 0.024 0.000 1.048 194 Q CA -0.655 55.086 55.803 -0.102 0.000 0.832 194 Q CB 2.672 31.349 28.738 -0.101 0.000 1.373 194 Q HN 0.643 nan 8.270 nan 0.000 0.409 195 F N -0.982 118.956 119.950 -0.020 0.000 2.662 195 F HA 0.509 5.037 4.527 0.001 0.000 0.312 195 F C -0.986 174.797 175.800 -0.027 0.000 1.113 195 F CA -1.187 56.798 58.000 -0.026 0.000 0.951 195 F CB 1.182 40.164 39.000 -0.029 0.000 1.344 195 F HN 0.389 nan 8.300 nan 0.000 0.462 196 D N 1.370 121.939 120.400 0.282 0.000 2.767 196 D HA 0.334 4.975 4.640 0.001 0.000 0.231 196 D C -0.689 175.724 176.300 0.189 0.000 1.105 196 D CA 0.363 54.454 54.000 0.151 0.000 1.024 196 D CB -0.064 40.795 40.800 0.098 0.000 1.123 196 D HN 0.455 nan 8.370 nan 0.000 0.470 197 R N 0.078 120.708 120.500 0.216 0.000 2.563 197 R HA 0.533 4.874 4.340 0.001 0.000 0.262 197 R C -0.227 176.096 176.300 0.038 0.000 1.128 197 R CA -0.594 55.604 56.100 0.163 0.000 0.969 197 R CB 1.522 31.988 30.300 0.278 0.000 1.251 197 R HN 0.292 nan 8.270 nan 0.000 0.442 198 G N 1.060 109.827 108.800 -0.056 0.000 2.795 198 G HA2 0.330 4.291 3.960 0.001 0.000 0.267 198 G HA3 0.330 4.291 3.960 0.001 0.000 0.267 198 G C -0.926 173.924 174.900 -0.083 0.000 1.362 198 G CA -0.589 44.409 45.100 -0.170 0.000 1.048 198 G HN 0.523 nan 8.290 nan 0.000 0.547 199 Y N -1.070 119.241 120.300 0.019 0.000 2.578 199 Y HA 0.344 4.895 4.550 0.002 0.000 0.339 199 Y C 1.110 177.046 175.900 0.061 0.000 1.231 199 Y CA -0.907 57.220 58.100 0.044 0.000 1.461 199 Y CB 0.442 38.916 38.460 0.024 0.000 1.323 199 Y HN 0.169 nan 8.280 nan 0.000 0.590 200 L N 1.783 123.192 121.223 0.310 0.000 2.554 200 L HA 0.128 4.469 4.340 0.001 0.000 0.226 200 L C 0.639 177.670 176.870 0.268 0.000 1.137 200 L CA 0.727 55.711 54.840 0.240 0.000 0.863 200 L CB -0.046 42.112 42.059 0.165 0.000 0.985 200 L HN 0.780 nan 8.230 nan 0.000 0.451 201 S N -1.154 114.725 115.700 0.299 0.000 2.543 201 S HA 0.385 4.856 4.470 0.001 0.000 0.271 201 S C -2.233 172.269 174.600 -0.164 0.000 1.148 201 S CA -0.888 57.419 58.200 0.178 0.000 0.914 201 S CB 1.736 65.059 63.200 0.206 0.000 1.096 201 S HN -0.173 nan 8.310 nan 0.000 0.471 202 P HA 0.110 nan 4.420 nan 0.000 0.245 202 P C 0.520 177.557 177.300 -0.438 0.000 1.206 202 P CA 0.339 63.034 63.100 -0.675 0.000 0.781 202 P CB -0.140 31.279 31.700 -0.468 0.000 0.994 203 Y N -1.318 118.917 120.300 -0.108 0.000 2.680 203 Y HA 0.048 4.599 4.550 0.001 0.000 0.303 203 Y C 1.708 177.647 175.900 0.066 0.000 1.166 203 Y CA 0.729 58.817 58.100 -0.021 0.000 1.344 203 Y CB -0.808 37.654 38.460 0.004 0.000 1.002 203 Y HN -0.018 nan 8.280 nan 0.000 0.537 204 F N -0.337 119.576 119.950 -0.061 0.000 2.668 204 F HA 0.330 4.858 4.527 0.001 0.000 0.301 204 F C 0.145 175.872 175.800 -0.121 0.000 1.106 204 F CA -0.410 57.551 58.000 -0.064 0.000 1.289 204 F CB 0.171 39.150 39.000 -0.037 0.000 1.006 204 F HN -0.215 nan 8.300 nan 0.000 0.535 205 I N 3.629 124.045 120.570 -0.257 0.000 2.577 205 I HA -0.135 4.036 4.170 0.001 0.000 0.299 205 I C 1.197 177.214 176.117 -0.168 0.000 1.157 205 I CA 0.246 61.374 61.300 -0.287 0.000 1.418 205 I CB -0.102 37.743 38.000 -0.258 0.000 1.467 205 I HN 0.405 nan 8.210 nan 0.000 0.624 206 N N 5.693 124.272 118.700 -0.203 0.000 2.461 206 N HA -0.055 4.685 4.740 0.001 0.000 0.188 206 N C 0.117 175.585 175.510 -0.070 0.000 1.134 206 N CA 0.188 53.193 53.050 -0.075 0.000 0.878 206 N CB 0.410 38.889 38.487 -0.014 0.000 0.972 206 N HN 0.340 nan 8.380 nan 0.000 0.456 207 K N 1.443 121.785 120.400 -0.096 0.000 2.533 207 K HA 0.281 4.602 4.320 0.001 0.000 0.207 207 K C -1.982 174.582 176.600 -0.060 0.000 1.052 207 K CA -1.829 54.418 56.287 -0.066 0.000 1.030 207 K CB 1.792 34.253 32.500 -0.065 0.000 1.522 207 K HN 0.004 nan 8.250 nan 0.000 0.543 208 P HA -0.138 nan 4.420 nan 0.000 0.223 208 P C 0.445 177.725 177.300 -0.033 0.000 1.144 208 P CA 1.037 64.111 63.100 -0.043 0.000 0.783 208 P CB 0.428 32.109 31.700 -0.031 0.000 0.771 209 E N -1.224 118.959 120.200 -0.029 0.000 2.265 209 E HA -0.106 4.245 4.350 0.001 0.000 0.196 209 E C 1.550 178.136 176.600 -0.023 0.000 0.996 209 E CA 1.839 58.225 56.400 -0.023 0.000 0.832 209 E CB -0.638 29.050 29.700 -0.021 0.000 0.756 209 E HN 0.429 nan 8.360 nan 0.000 0.491 210 T N -6.803 107.735 114.554 -0.028 0.000 3.154 210 T HA 0.372 4.723 4.350 0.001 0.000 0.258 210 T C 1.485 176.172 174.700 -0.021 0.000 0.899 210 T CA 0.106 62.192 62.100 -0.024 0.000 0.908 210 T CB 0.741 69.594 68.868 -0.025 0.000 1.260 210 T HN 0.218 nan 8.240 nan 0.000 0.521 211 G N 1.517 110.299 108.800 -0.030 0.000 2.159 211 G HA2 0.245 4.206 3.960 0.001 0.000 0.170 211 G HA3 0.245 4.206 3.960 0.001 0.000 0.170 211 G C 0.150 175.044 174.900 -0.009 0.000 1.007 211 G CA -0.121 44.966 45.100 -0.021 0.000 0.672 211 G HN 1.169 nan 8.290 nan 0.000 0.507 212 A N -0.201 122.593 122.820 -0.042 0.000 2.304 212 A HA 0.831 5.152 4.320 0.001 0.000 0.301 212 A C 0.355 177.846 177.584 -0.156 0.000 1.132 212 A CA -0.185 51.820 52.037 -0.054 0.000 0.819 212 A CB 1.445 20.411 19.000 -0.057 0.000 1.094 212 A HN 1.094 nan 8.150 nan 0.000 0.492 213 V N 2.062 121.860 119.914 -0.194 0.000 2.481 213 V HA 0.420 4.541 4.120 0.001 0.000 0.286 213 V C -0.060 175.822 176.094 -0.354 0.000 1.042 213 V CA -0.278 61.755 62.300 -0.445 0.000 0.928 213 V CB 1.155 32.699 31.823 -0.464 0.000 0.986 213 V HN 0.979 nan 8.190 nan 0.000 0.462 214 E N 4.683 124.625 120.200 -0.429 0.000 2.292 214 E HA 0.652 5.003 4.350 0.001 0.000 0.272 214 E C -1.587 174.992 176.600 -0.034 0.000 0.881 214 E CA -0.712 55.582 56.400 -0.175 0.000 0.754 214 E CB 2.831 32.470 29.700 -0.102 0.000 1.201 214 E HN 0.451 nan 8.360 nan 0.000 0.425 215 L N 2.511 123.763 121.223 0.049 0.000 2.404 215 L HA 0.374 4.715 4.340 0.001 0.000 0.272 215 L C -0.851 176.057 176.870 0.063 0.000 0.980 215 L CA -0.850 54.070 54.840 0.134 0.000 0.836 215 L CB 1.721 43.880 42.059 0.166 0.000 1.238 215 L HN 0.424 nan 8.230 nan 0.000 0.408 216 E N 1.468 121.700 120.200 0.053 0.000 2.200 216 E HA 0.240 4.591 4.350 0.001 0.000 0.283 216 E C 0.380 176.973 176.600 -0.011 0.000 1.015 216 E CA -0.108 56.300 56.400 0.015 0.000 0.819 216 E CB 1.480 31.187 29.700 0.012 0.000 1.081 216 E HN 0.468 nan 8.360 nan 0.000 0.397 217 S N 2.795 118.475 115.700 -0.034 0.000 3.427 217 S HA -0.122 4.349 4.470 0.001 0.000 0.373 217 S C -2.237 172.288 174.600 -0.125 0.000 0.973 217 S CA -0.055 58.096 58.200 -0.082 0.000 1.218 217 S CB -0.857 62.281 63.200 -0.103 0.000 0.912 217 S HN 0.377 nan 8.310 nan 0.000 0.483 218 P HA 0.282 nan 4.420 nan 0.000 0.275 218 P C 0.276 177.552 177.300 -0.040 0.000 1.228 218 P CA -0.469 62.619 63.100 -0.019 0.000 0.786 218 P CB 0.323 32.066 31.700 0.072 0.000 0.927 219 F N 1.557 121.526 119.950 0.032 0.000 2.450 219 F HA 0.253 4.781 4.527 0.001 0.000 0.339 219 F C 1.143 176.967 175.800 0.039 0.000 1.146 219 F CA 0.318 58.336 58.000 0.029 0.000 1.267 219 F CB 0.057 39.069 39.000 0.020 0.000 1.178 219 F HN 0.092 nan 8.300 nan 0.000 0.585 220 I N 4.229 124.959 120.570 0.266 0.000 2.497 220 I HA 0.216 4.387 4.170 0.001 0.000 0.284 220 I C -1.284 174.900 176.117 0.111 0.000 1.060 220 I CA -0.756 60.639 61.300 0.160 0.000 1.071 220 I CB 1.707 39.789 38.000 0.137 0.000 1.216 220 I HN 0.260 nan 8.210 nan 0.000 0.442 221 L N 7.950 129.220 121.223 0.079 0.000 2.289 221 L HA 0.602 4.943 4.340 0.001 0.000 0.285 221 L C -0.993 175.900 176.870 0.039 0.000 1.049 221 L CA -0.051 54.811 54.840 0.037 0.000 0.804 221 L CB 1.105 43.173 42.059 0.015 0.000 1.195 221 L HN 0.434 nan 8.230 nan 0.000 0.428 222 L N 5.537 126.774 121.223 0.023 0.000 2.341 222 L HA 0.875 5.216 4.340 0.001 0.000 0.278 222 L C -0.458 176.414 176.870 0.004 0.000 1.005 222 L CA -0.705 54.144 54.840 0.015 0.000 0.818 222 L CB 1.667 43.731 42.059 0.008 0.000 1.259 222 L HN 0.768 nan 8.230 nan 0.000 0.418 223 A N 1.182 124.004 122.820 0.003 0.000 2.381 223 A HA 0.392 4.713 4.320 0.001 0.000 0.299 223 A C -0.217 177.365 177.584 -0.003 0.000 1.049 223 A CA -0.444 51.593 52.037 0.001 0.000 0.715 223 A CB 1.493 20.497 19.000 0.006 0.000 1.222 223 A HN 0.746 nan 8.150 nan 0.000 0.428 224 D N 0.836 121.233 120.400 -0.006 0.000 2.347 224 D HA 0.036 4.676 4.640 0.001 0.000 0.215 224 D C 0.558 176.856 176.300 -0.002 0.000 0.976 224 D CA 1.197 55.192 54.000 -0.008 0.000 0.884 224 D CB 0.197 40.991 40.800 -0.010 0.000 0.915 224 D HN 0.601 nan 8.370 nan 0.000 0.526 225 K N -0.165 120.236 120.400 0.002 0.000 2.267 225 K HA 0.304 4.625 4.320 0.001 0.000 0.246 225 K C -0.399 176.207 176.600 0.011 0.000 0.954 225 K CA -1.018 55.273 56.287 0.006 0.000 0.824 225 K CB 1.033 33.536 32.500 0.005 0.000 1.167 225 K HN -0.183 nan 8.250 nan 0.000 0.431 226 K N 2.321 122.730 120.400 0.015 0.000 2.355 226 K HA 0.222 4.543 4.320 0.001 0.000 0.270 226 K C -0.630 175.980 176.600 0.018 0.000 1.003 226 K CA -0.295 56.003 56.287 0.019 0.000 0.957 226 K CB 0.326 32.840 32.500 0.023 0.000 0.939 226 K HN 0.633 nan 8.250 nan 0.000 0.482 227 I N 1.455 122.038 120.570 0.021 0.000 2.577 227 I HA 0.100 4.271 4.170 0.001 0.000 0.305 227 I C 0.793 176.922 176.117 0.020 0.000 0.986 227 I CA -0.413 60.898 61.300 0.018 0.000 1.189 227 I CB 1.883 39.895 38.000 0.019 0.000 1.355 227 I HN 0.949 nan 8.210 nan 0.000 0.476 228 S N 2.311 118.021 115.700 0.015 0.000 2.874 228 S HA 0.227 4.698 4.470 0.001 0.000 0.271 228 S C 0.004 174.610 174.600 0.010 0.000 1.061 228 S CA -0.183 58.025 58.200 0.015 0.000 1.029 228 S CB 0.143 63.351 63.200 0.013 0.000 0.925 228 S HN 0.741 nan 8.310 nan 0.000 0.459 229 N N 1.151 119.855 118.700 0.007 0.000 2.421 229 N HA 0.428 5.169 4.740 0.001 0.000 0.285 229 N C 0.132 175.643 175.510 0.001 0.000 1.027 229 N CA -0.293 52.758 53.050 0.003 0.000 0.918 229 N CB 1.583 40.071 38.487 0.001 0.000 1.152 229 N HN 0.087 nan 8.380 nan 0.000 0.485 230 I N 2.093 122.662 120.570 -0.002 0.000 2.916 230 I HA -0.082 4.089 4.170 0.001 0.000 0.267 230 I C 2.310 178.423 176.117 -0.007 0.000 1.263 230 I CA 0.763 62.061 61.300 -0.004 0.000 1.471 230 I CB -0.334 37.661 38.000 -0.007 0.000 1.089 230 I HN 0.572 nan 8.210 nan 0.000 0.468 231 R N 0.839 121.335 120.500 -0.006 0.000 2.190 231 R HA -0.287 4.054 4.340 0.001 0.000 0.255 231 R C 1.700 177.995 176.300 -0.008 0.000 1.143 231 R CA 2.473 58.568 56.100 -0.007 0.000 0.965 231 R CB -0.325 29.972 30.300 -0.005 0.000 0.889 231 R HN 0.490 nan 8.270 nan 0.000 0.448 232 E N -1.246 118.950 120.200 -0.007 0.000 2.478 232 E HA -0.023 4.328 4.350 0.001 0.000 0.194 232 E C 1.532 178.125 176.600 -0.011 0.000 1.045 232 E CA 0.250 56.645 56.400 -0.008 0.000 0.868 232 E CB 0.347 30.044 29.700 -0.005 0.000 0.885 232 E HN 0.342 nan 8.360 nan 0.000 0.505 233 M N -0.399 119.194 119.600 -0.011 0.000 2.730 233 M HA 0.107 4.588 4.480 0.001 0.000 0.258 233 M C 2.013 178.302 176.300 -0.019 0.000 1.279 233 M CA 0.512 55.803 55.300 -0.014 0.000 1.183 233 M CB -0.285 32.310 32.600 -0.009 0.000 1.291 233 M HN 0.143 nan 8.290 nan 0.000 0.518 234 L N 0.518 121.731 121.223 -0.017 0.000 2.051 234 L HA -0.229 4.112 4.340 0.001 0.000 0.214 234 L C -0.515 176.341 176.870 -0.022 0.000 1.076 234 L CA 1.765 56.594 54.840 -0.018 0.000 0.758 234 L CB -2.158 39.892 42.059 -0.016 0.000 0.890 234 L HN 0.173 nan 8.230 nan 0.000 0.433 235 P HA -0.143 nan 4.420 nan 0.000 0.215 235 P C 1.907 179.183 177.300 -0.040 0.000 1.157 235 P CA 1.208 64.291 63.100 -0.029 0.000 0.868 235 P CB 0.043 31.726 31.700 -0.027 0.000 0.788 236 V N -0.762 119.124 119.914 -0.047 0.000 2.358 236 V HA -0.193 3.928 4.120 0.001 0.000 0.246 236 V C 2.464 178.520 176.094 -0.063 0.000 1.047 236 V CA 1.372 63.630 62.300 -0.070 0.000 1.035 236 V CB -1.161 30.618 31.823 -0.074 0.000 0.658 236 V HN 0.068 nan 8.190 nan 0.000 0.452 237 L N -0.066 121.133 121.223 -0.040 0.000 1.994 237 L HA -0.220 4.121 4.340 0.001 0.000 0.208 237 L C 2.715 179.573 176.870 -0.021 0.000 1.071 237 L CA 2.146 56.970 54.840 -0.027 0.000 0.745 237 L CB -0.276 41.770 42.059 -0.021 0.000 0.892 237 L HN 0.377 nan 8.230 nan 0.000 0.431 238 E N -0.154 120.033 120.200 -0.021 0.000 2.110 238 E HA -0.209 4.142 4.350 0.001 0.000 0.193 238 E C 1.944 178.535 176.600 -0.015 0.000 0.988 238 E CA 1.388 57.779 56.400 -0.015 0.000 0.804 238 E CB -0.068 29.622 29.700 -0.015 0.000 0.745 238 E HN 0.473 nan 8.360 nan 0.000 0.458 239 A N -0.139 122.664 122.820 -0.029 0.000 1.930 239 A HA -0.111 4.210 4.320 0.001 0.000 0.217 239 A C 2.440 180.008 177.584 -0.028 0.000 1.175 239 A CA 1.504 53.520 52.037 -0.035 0.000 0.627 239 A CB -0.591 18.372 19.000 -0.062 0.000 0.815 239 A HN 0.210 nan 8.150 nan 0.000 0.443 240 V N -0.301 119.592 119.914 -0.036 0.000 2.453 240 V HA -0.171 3.950 4.120 0.001 0.000 0.247 240 V C 3.015 179.160 176.094 0.084 0.000 1.048 240 V CA 1.618 63.931 62.300 0.023 0.000 1.049 240 V CB -1.007 30.820 31.823 0.005 0.000 0.672 240 V HN 0.607 nan 8.190 nan 0.000 0.457 241 A N 0.040 122.884 122.820 0.040 0.000 1.883 241 A HA -0.249 4.072 4.320 0.001 0.000 0.217 241 A C 2.215 179.821 177.584 0.037 0.000 1.186 241 A CA 1.936 53.993 52.037 0.033 0.000 0.624 241 A CB -0.417 18.589 19.000 0.010 0.000 0.822 241 A HN 0.541 nan 8.150 nan 0.000 0.444 242 K N -0.381 120.036 120.400 0.029 0.000 2.439 242 K HA 0.143 4.464 4.320 0.001 0.000 0.197 242 K C 1.806 178.436 176.600 0.050 0.000 1.041 242 K CA 0.623 56.928 56.287 0.029 0.000 0.970 242 K CB -0.125 32.384 32.500 0.015 0.000 0.773 242 K HN 0.456 nan 8.250 nan 0.000 0.479 243 A N 0.529 123.401 122.820 0.085 0.000 2.081 243 A HA 0.177 4.497 4.320 0.001 0.000 0.214 243 A C 1.474 179.138 177.584 0.133 0.000 1.158 243 A CA 0.848 52.972 52.037 0.145 0.000 0.724 243 A CB -0.140 19.020 19.000 0.267 0.000 0.826 243 A HN 0.352 nan 8.150 nan 0.000 0.463 244 G N -0.926 107.935 108.800 0.102 0.000 2.132 244 G HA2 -0.215 3.746 3.960 0.001 0.000 0.228 244 G HA3 -0.215 3.746 3.960 0.001 0.000 0.228 244 G C -0.006 174.918 174.900 0.040 0.000 1.000 244 G CA 0.549 45.683 45.100 0.056 0.000 0.693 244 G HN 0.592 nan 8.290 nan 0.000 0.515 245 K N 0.065 120.512 120.400 0.079 0.000 2.385 245 K HA 0.592 4.913 4.320 0.001 0.000 0.248 245 K C -2.550 174.095 176.600 0.076 0.000 0.955 245 K CA -2.265 54.027 56.287 0.008 0.000 0.816 245 K CB 2.301 34.672 32.500 -0.215 0.000 1.250 245 K HN -0.041 nan 8.250 nan 0.000 0.434 246 P HA 0.077 nan 4.420 nan 0.000 0.271 246 P C -1.365 176.011 177.300 0.127 0.000 1.244 246 P CA -0.456 62.676 63.100 0.054 0.000 0.793 246 P CB 0.437 32.168 31.700 0.051 0.000 0.984 247 L N 1.394 122.680 121.223 0.105 0.000 2.470 247 L HA 0.519 4.860 4.340 0.001 0.000 0.268 247 L C -1.660 175.279 176.870 0.115 0.000 0.964 247 L CA -0.793 54.130 54.840 0.139 0.000 0.839 247 L CB 1.675 43.798 42.059 0.106 0.000 1.276 247 L HN 0.110 nan 8.230 nan 0.000 0.403 248 L N 5.777 127.084 121.223 0.140 0.000 2.295 248 L HA 0.646 4.987 4.340 0.001 0.000 0.285 248 L C -1.013 175.926 176.870 0.116 0.000 1.035 248 L CA 0.017 54.941 54.840 0.140 0.000 0.806 248 L CB 1.280 43.431 42.059 0.153 0.000 1.214 248 L HN 0.547 nan 8.230 nan 0.000 0.426 249 I N 6.644 127.277 120.570 0.105 0.000 2.306 249 I HA 0.281 4.452 4.170 0.001 0.000 0.288 249 I C -0.013 176.163 176.117 0.098 0.000 1.036 249 I CA 0.223 61.573 61.300 0.084 0.000 1.221 249 I CB 0.742 38.782 38.000 0.065 0.000 1.385 249 I HN 0.444 nan 8.210 nan 0.000 0.472 250 I N 6.690 127.314 120.570 0.090 0.000 2.234 250 I HA 0.394 4.565 4.170 0.001 0.000 0.287 250 I C 0.817 176.959 176.117 0.043 0.000 1.131 250 I CA -0.292 61.057 61.300 0.083 0.000 1.335 250 I CB -0.100 37.953 38.000 0.088 0.000 1.511 250 I HN 0.605 nan 8.210 nan 0.000 0.588 251 A N 3.094 125.941 122.820 0.045 0.000 2.296 251 A HA 0.167 4.488 4.320 0.001 0.000 0.264 251 A C 1.558 179.155 177.584 0.020 0.000 1.097 251 A CA -0.288 51.765 52.037 0.028 0.000 0.811 251 A CB 0.506 19.525 19.000 0.032 0.000 1.072 251 A HN 0.739 nan 8.150 nan 0.000 0.495 252 E N -0.558 119.649 120.200 0.011 0.000 2.108 252 E HA -0.244 4.107 4.350 0.001 0.000 0.203 252 E C 0.026 176.642 176.600 0.028 0.000 1.022 252 E CA 2.045 58.452 56.400 0.011 0.000 0.823 252 E CB 0.073 29.780 29.700 0.012 0.000 0.744 252 E HN 0.715 nan 8.360 nan 0.000 0.456 253 D N -2.338 118.083 120.400 0.034 0.000 2.694 253 D HA 0.250 4.891 4.640 0.001 0.000 0.260 253 D C -1.998 174.329 176.300 0.045 0.000 1.250 253 D CA -0.507 53.520 54.000 0.045 0.000 0.763 253 D CB 1.937 42.763 40.800 0.043 0.000 1.311 253 D HN -0.084 nan 8.370 nan 0.000 0.420 254 V N 1.995 121.940 119.914 0.053 0.000 2.569 254 V HA 0.532 4.653 4.120 0.001 0.000 0.301 254 V C 0.021 176.146 176.094 0.051 0.000 1.044 254 V CA -0.665 61.664 62.300 0.050 0.000 0.874 254 V CB 1.413 33.270 31.823 0.057 0.000 1.002 254 V HN 0.642 nan 8.190 nan 0.000 0.424 255 E N 3.444 123.669 120.200 0.040 0.000 2.504 255 E HA 0.876 5.227 4.350 0.001 0.000 0.235 255 E C 0.496 177.113 176.600 0.029 0.000 0.827 255 E CA -0.337 56.086 56.400 0.038 0.000 0.903 255 E CB 1.685 31.406 29.700 0.034 0.000 1.622 255 E HN 1.188 nan 8.360 nan 0.000 0.392 256 G N 0.946 109.761 108.800 0.024 0.000 2.601 256 G HA2 -0.386 3.575 3.960 0.001 0.000 0.252 256 G HA3 -0.386 3.575 3.960 0.001 0.000 0.252 256 G C 0.532 175.439 174.900 0.011 0.000 1.294 256 G CA 0.718 45.827 45.100 0.016 0.000 0.912 256 G HN 0.813 nan 8.290 nan 0.000 0.574 257 E N 0.041 120.244 120.200 0.005 0.000 2.347 257 E HA 0.356 4.707 4.350 0.001 0.000 0.196 257 E C 2.571 179.171 176.600 -0.000 0.000 1.008 257 E CA 2.171 58.571 56.400 -0.001 0.000 0.852 257 E CB -0.539 29.158 29.700 -0.005 0.000 0.783 257 E HN 1.354 nan 8.360 nan 0.000 0.505 258 A N 1.284 124.107 122.820 0.006 0.000 1.877 258 A HA -0.123 4.198 4.320 0.001 0.000 0.216 258 A C 2.177 179.769 177.584 0.014 0.000 1.186 258 A CA 1.545 53.587 52.037 0.008 0.000 0.620 258 A CB -0.813 18.195 19.000 0.013 0.000 0.822 258 A HN 0.328 nan 8.150 nan 0.000 0.443 259 L N -0.280 120.957 121.223 0.023 0.000 2.017 259 L HA -0.062 4.279 4.340 0.001 0.000 0.208 259 L C 2.724 179.606 176.870 0.020 0.000 1.073 259 L CA 2.217 57.078 54.840 0.036 0.000 0.745 259 L CB -0.866 41.224 42.059 0.051 0.000 0.894 259 L HN 0.365 nan 8.230 nan 0.000 0.432 260 A N -1.043 121.779 122.820 0.003 0.000 1.865 260 A HA -0.260 4.061 4.320 0.001 0.000 0.217 260 A C 2.349 179.915 177.584 -0.030 0.000 1.191 260 A CA 2.766 54.789 52.037 -0.022 0.000 0.623 260 A CB -1.458 17.527 19.000 -0.026 0.000 0.826 260 A HN 0.619 nan 8.150 nan 0.000 0.444 261 T N -1.410 113.131 114.554 -0.022 0.000 2.821 261 T HA -0.034 4.317 4.350 0.001 0.000 0.267 261 T C 1.832 176.514 174.700 -0.030 0.000 1.046 261 T CA 1.336 63.420 62.100 -0.027 0.000 1.139 261 T CB -0.564 68.291 68.868 -0.020 0.000 0.871 261 T HN 0.282 nan 8.240 nan 0.000 0.454 262 L N 0.640 121.850 121.223 -0.020 0.000 2.017 262 L HA -0.065 4.275 4.340 0.001 0.000 0.208 262 L C 2.970 179.814 176.870 -0.044 0.000 1.073 262 L CA 0.978 55.801 54.840 -0.028 0.000 0.745 262 L CB -0.718 41.340 42.059 -0.001 0.000 0.894 262 L HN 0.157 nan 8.230 nan 0.000 0.432 263 V N -0.720 119.182 119.914 -0.020 0.000 2.295 263 V HA -0.258 3.863 4.120 0.001 0.000 0.246 263 V C 2.385 178.448 176.094 -0.051 0.000 1.049 263 V CA 1.609 63.900 62.300 -0.016 0.000 1.024 263 V CB -0.215 31.604 31.823 -0.007 0.000 0.648 263 V HN 0.200 nan 8.190 nan 0.000 0.447 264 V N 0.328 120.206 119.914 -0.061 0.000 2.358 264 V HA -0.209 3.912 4.120 0.001 0.000 0.246 264 V C 2.216 178.276 176.094 -0.057 0.000 1.047 264 V CA 1.960 64.223 62.300 -0.062 0.000 1.035 264 V CB -0.781 31.007 31.823 -0.058 0.000 0.658 264 V HN 0.588 nan 8.190 nan 0.000 0.452 265 N N -0.160 118.504 118.700 -0.060 0.000 2.381 265 N HA -0.118 4.623 4.740 0.001 0.000 0.182 265 N C 1.805 177.260 175.510 -0.092 0.000 1.025 265 N CA 1.724 54.735 53.050 -0.065 0.000 0.888 265 N CB -0.036 38.416 38.487 -0.059 0.000 0.965 265 N HN 0.488 nan 8.380 nan 0.000 0.438 266 T N 1.642 116.119 114.554 -0.128 0.000 2.698 266 T HA -0.056 4.295 4.350 0.001 0.000 0.260 266 T C 1.959 176.609 174.700 -0.084 0.000 1.044 266 T CA 0.598 62.590 62.100 -0.181 0.000 1.149 266 T CB -0.138 68.541 68.868 -0.314 0.000 0.864 266 T HN 0.172 nan 8.240 nan 0.000 0.419 267 M N 0.690 120.265 119.600 -0.042 0.000 2.144 267 M HA -0.141 4.340 4.480 0.001 0.000 0.260 267 M C 2.111 178.403 176.300 -0.013 0.000 1.067 267 M CA 1.625 56.921 55.300 -0.006 0.000 1.095 267 M CB -0.041 32.548 32.600 -0.018 0.000 1.365 267 M HN -0.047 nan 8.290 nan 0.000 0.406 268 R N 0.206 120.689 120.500 -0.028 0.000 2.313 268 R HA 0.118 4.459 4.340 0.001 0.000 0.199 268 R C 0.924 177.212 176.300 -0.020 0.000 0.958 268 R CA 0.958 57.044 56.100 -0.023 0.000 1.047 268 R CB -0.643 29.640 30.300 -0.028 0.000 0.955 268 R HN 0.652 nan 8.270 nan 0.000 0.481 269 G N -0.003 108.782 108.800 -0.025 0.000 2.136 269 G HA2 -0.215 3.746 3.960 0.001 0.000 0.242 269 G HA3 -0.215 3.746 3.960 0.001 0.000 0.242 269 G C 0.591 175.475 174.900 -0.026 0.000 0.989 269 G CA 0.352 45.439 45.100 -0.021 0.000 0.682 269 G HN 0.220 nan 8.290 nan 0.000 0.522 270 I N -0.283 120.265 120.570 -0.037 0.000 2.235 270 I HA 0.159 4.330 4.170 0.001 0.000 0.241 270 I C 1.442 177.537 176.117 -0.037 0.000 1.085 270 I CA 2.100 63.380 61.300 -0.033 0.000 1.378 270 I CB -1.305 36.675 38.000 -0.034 0.000 1.076 270 I HN 0.693 nan 8.210 nan 0.000 0.415 271 V N -2.090 117.786 119.914 -0.064 0.000 3.023 271 V HA 0.373 4.493 4.120 0.001 0.000 0.294 271 V C -0.389 175.608 176.094 -0.163 0.000 1.324 271 V CA -1.527 60.728 62.300 -0.075 0.000 0.979 271 V CB 1.712 33.506 31.823 -0.048 0.000 1.093 271 V HN 0.053 nan 8.190 nan 0.000 0.434 272 K N 2.377 122.668 120.400 -0.183 0.000 2.395 272 K HA 0.483 4.804 4.320 0.001 0.000 0.283 272 K C -0.209 176.134 176.600 -0.428 0.000 1.068 272 K CA 0.211 56.245 56.287 -0.420 0.000 1.039 272 K CB 0.896 33.319 32.500 -0.129 0.000 0.924 272 K HN 1.014 nan 8.250 nan 0.000 0.468 273 V N -0.653 118.886 119.914 -0.624 0.000 3.007 273 V HA 0.922 5.043 4.120 0.001 0.000 0.311 273 V C -0.930 175.025 176.094 -0.233 0.000 1.120 273 V CA -0.990 61.135 62.300 -0.291 0.000 0.980 273 V CB 1.941 33.683 31.823 -0.135 0.000 1.033 273 V HN 0.726 nan 8.190 nan 0.000 0.429 274 A N 2.097 124.948 122.820 0.051 0.000 2.566 274 A HA 1.095 5.416 4.320 0.001 0.000 0.292 274 A C -0.393 177.286 177.584 0.157 0.000 1.112 274 A CA -0.383 51.782 52.037 0.213 0.000 0.707 274 A CB 1.816 21.053 19.000 0.394 0.000 1.302 274 A HN 2.591 nan 8.150 nan 0.000 0.409 275 A N -0.132 122.791 122.820 0.172 0.000 2.475 275 A HA 0.855 5.176 4.320 0.001 0.000 0.301 275 A C -0.564 177.120 177.584 0.167 0.000 1.059 275 A CA -0.032 52.092 52.037 0.144 0.000 0.710 275 A CB 1.400 20.468 19.000 0.113 0.000 1.288 275 A HN 2.340 nan 8.150 nan 0.000 0.408 276 V N -1.131 118.874 119.914 0.151 0.000 3.007 276 V HA 0.656 4.777 4.120 0.001 0.000 0.311 276 V C -0.585 175.584 176.094 0.124 0.000 1.120 276 V CA -1.249 61.145 62.300 0.156 0.000 0.980 276 V CB 1.592 33.534 31.823 0.198 0.000 1.033 276 V HN 0.847 nan 8.190 nan 0.000 0.429 277 K N 2.158 122.625 120.400 0.112 0.000 2.350 277 K HA 0.647 4.968 4.320 0.001 0.000 0.279 277 K C 0.453 177.095 176.600 0.070 0.000 1.027 277 K CA 0.372 56.708 56.287 0.081 0.000 0.969 277 K CB 1.274 33.819 32.500 0.074 0.000 0.954 277 K HN 1.122 nan 8.250 nan 0.000 0.474 278 A N 5.201 128.028 122.820 0.011 0.000 2.445 278 A HA 0.200 4.521 4.320 0.001 0.000 0.242 278 A C -2.005 175.510 177.584 -0.117 0.000 1.075 278 A CA -1.045 50.943 52.037 -0.082 0.000 0.777 278 A CB -0.353 18.596 19.000 -0.086 0.000 1.013 278 A HN 0.486 nan 8.150 nan 0.000 0.493 279 P HA 0.419 nan 4.420 nan 0.000 0.274 279 P C 0.852 178.030 177.300 -0.204 0.000 1.246 279 P CA 1.222 64.184 63.100 -0.229 0.000 0.795 279 P CB 0.723 32.149 31.700 -0.456 0.000 1.006 280 G N 0.920 109.602 108.800 -0.197 0.000 2.509 280 G HA2 -0.023 3.938 3.960 0.001 0.000 0.256 280 G HA3 -0.023 3.938 3.960 0.001 0.000 0.256 280 G C -0.773 173.987 174.900 -0.234 0.000 1.152 280 G CA 0.200 45.047 45.100 -0.421 0.000 0.951 280 G HN 0.806 nan 8.290 nan 0.000 0.559 281 F N -3.102 116.837 119.950 -0.018 0.000 2.843 281 F HA 0.635 5.163 4.527 0.002 0.000 0.323 281 F C 0.826 176.622 175.800 -0.007 0.000 1.142 281 F CA 0.305 58.301 58.000 -0.006 0.000 0.925 281 F CB 0.280 39.284 39.000 0.007 0.000 1.277 281 F HN 2.504 nan 8.300 nan 0.000 0.446 282 G N 1.198 110.163 108.800 0.275 0.000 2.578 282 G HA2 -0.256 3.705 3.960 0.001 0.000 0.275 282 G HA3 -0.256 3.705 3.960 0.001 0.000 0.275 282 G C 0.227 175.172 174.900 0.075 0.000 1.271 282 G CA 0.551 45.752 45.100 0.167 0.000 0.941 282 G HN 1.021 nan 8.290 nan 0.000 0.564 283 D N 0.184 120.615 120.400 0.052 0.000 2.350 283 D HA -0.057 4.584 4.640 0.001 0.000 0.216 283 D C 2.297 178.581 176.300 -0.027 0.000 0.968 283 D CA 0.937 54.943 54.000 0.010 0.000 0.894 283 D CB -0.080 40.727 40.800 0.010 0.000 0.909 283 D HN 0.509 nan 8.370 nan 0.000 0.520 284 R N 1.257 121.731 120.500 -0.042 0.000 2.152 284 R HA -0.095 4.246 4.340 0.001 0.000 0.232 284 R C 2.160 178.363 176.300 -0.162 0.000 1.117 284 R CA 0.666 56.688 56.100 -0.129 0.000 0.981 284 R CB 0.044 30.220 30.300 -0.206 0.000 0.870 284 R HN 0.026 nan 8.270 nan 0.000 0.451 285 R N 0.892 121.320 120.500 -0.121 0.000 2.070 285 R HA -0.141 4.200 4.340 0.001 0.000 0.232 285 R C 1.877 178.119 176.300 -0.098 0.000 1.138 285 R CA 2.036 58.069 56.100 -0.111 0.000 0.936 285 R CB -0.065 30.206 30.300 -0.047 0.000 0.839 285 R HN 0.199 nan 8.270 nan 0.000 0.429 286 K N -0.016 120.347 120.400 -0.062 0.000 2.044 286 K HA -0.167 4.154 4.320 0.001 0.000 0.210 286 K C 2.166 178.726 176.600 -0.066 0.000 1.049 286 K CA 1.558 57.814 56.287 -0.053 0.000 0.927 286 K CB -0.275 32.206 32.500 -0.032 0.000 0.713 286 K HN 0.239 nan 8.250 nan 0.000 0.443 287 A N 1.738 124.514 122.820 -0.073 0.000 1.851 287 A HA -0.194 4.127 4.320 0.001 0.000 0.216 287 A C 2.226 179.755 177.584 -0.093 0.000 1.195 287 A CA 1.867 53.858 52.037 -0.076 0.000 0.622 287 A CB -0.565 18.387 19.000 -0.080 0.000 0.831 287 A HN 0.205 nan 8.150 nan 0.000 0.444 288 M N -1.427 118.097 119.600 -0.127 0.000 2.229 288 M HA -0.086 4.395 4.480 0.001 0.000 0.264 288 M C 2.162 178.369 176.300 -0.156 0.000 1.063 288 M CA 1.095 56.303 55.300 -0.153 0.000 1.114 288 M CB -0.371 32.102 32.600 -0.211 0.000 1.387 288 M HN 0.438 nan 8.290 nan 0.000 0.420 289 L N 0.606 121.742 121.223 -0.145 0.000 2.083 289 L HA -0.193 4.148 4.340 0.001 0.000 0.209 289 L C 2.424 179.250 176.870 -0.072 0.000 1.083 289 L CA 1.897 56.667 54.840 -0.117 0.000 0.752 289 L CB -0.638 41.363 42.059 -0.097 0.000 0.899 289 L HN 0.236 nan 8.230 nan 0.000 0.433 290 Q N -0.702 119.061 119.800 -0.061 0.000 2.297 290 Q HA -0.151 4.190 4.340 0.001 0.000 0.204 290 Q C 1.640 177.618 176.000 -0.037 0.000 0.962 290 Q CA 1.503 57.281 55.803 -0.041 0.000 0.879 290 Q CB -0.151 28.565 28.738 -0.037 0.000 0.947 290 Q HN 0.539 nan 8.270 nan 0.000 0.462 291 D N -0.354 120.017 120.400 -0.048 0.000 2.137 291 D HA -0.065 4.576 4.640 0.001 0.000 0.202 291 D C 1.749 178.033 176.300 -0.026 0.000 0.970 291 D CA 0.895 54.872 54.000 -0.038 0.000 0.837 291 D CB -0.060 40.711 40.800 -0.049 0.000 0.981 291 D HN 0.340 nan 8.370 nan 0.000 0.475 292 I N 1.565 122.111 120.570 -0.039 0.000 2.264 292 I HA -0.274 3.897 4.170 0.001 0.000 0.248 292 I C 2.491 178.612 176.117 0.007 0.000 1.111 292 I CA 0.900 62.193 61.300 -0.013 0.000 1.382 292 I CB -0.173 37.802 38.000 -0.042 0.000 1.060 292 I HN -0.085 nan 8.210 nan 0.000 0.418 293 A N 0.451 123.269 122.820 -0.003 0.000 1.883 293 A HA -0.238 4.083 4.320 0.001 0.000 0.217 293 A C 2.390 179.982 177.584 0.013 0.000 1.186 293 A CA 2.651 54.692 52.037 0.007 0.000 0.624 293 A CB -1.117 17.881 19.000 -0.003 0.000 0.822 293 A HN 0.409 nan 8.150 nan 0.000 0.444 294 T N -0.125 114.433 114.554 0.006 0.000 2.812 294 T HA -0.089 4.261 4.350 0.001 0.000 0.264 294 T C 1.828 176.538 174.700 0.016 0.000 1.042 294 T CA 1.324 63.429 62.100 0.009 0.000 1.140 294 T CB -0.373 68.497 68.868 0.002 0.000 0.870 294 T HN 0.297 nan 8.240 nan 0.000 0.445 295 L N 1.993 123.226 121.223 0.018 0.000 2.079 295 L HA -0.107 4.234 4.340 0.001 0.000 0.210 295 L C 2.529 179.420 176.870 0.036 0.000 1.081 295 L CA 2.173 57.029 54.840 0.027 0.000 0.752 295 L CB -0.996 41.083 42.059 0.032 0.000 0.896 295 L HN 0.455 nan 8.230 nan 0.000 0.433 296 T N -4.796 109.783 114.554 0.043 0.000 3.051 296 T HA 0.342 4.692 4.350 0.001 0.000 0.255 296 T C 1.481 176.213 174.700 0.054 0.000 1.085 296 T CA 0.421 62.554 62.100 0.054 0.000 1.109 296 T CB 0.095 69.005 68.868 0.069 0.000 0.921 296 T HN 0.603 nan 8.240 nan 0.000 0.488 297 G N 0.371 109.197 108.800 0.044 0.000 2.159 297 G HA2 0.035 3.996 3.960 0.001 0.000 0.227 297 G HA3 0.035 3.996 3.960 0.001 0.000 0.227 297 G C 0.397 175.323 174.900 0.044 0.000 0.986 297 G CA -0.130 44.995 45.100 0.042 0.000 0.651 297 G HN 0.987 nan 8.290 nan 0.000 0.523 298 G N -1.173 107.653 108.800 0.043 0.000 2.702 298 G HA2 0.718 4.679 3.960 0.001 0.000 0.254 298 G HA3 0.718 4.679 3.960 0.001 0.000 0.254 298 G C -0.297 174.613 174.900 0.017 0.000 1.380 298 G CA 0.414 45.535 45.100 0.035 0.000 1.042 298 G HN 0.651 nan 8.290 nan 0.000 0.557 299 T N -0.321 114.238 114.554 0.009 0.000 2.885 299 T HA 0.485 4.836 4.350 0.001 0.000 0.285 299 T C -0.394 174.304 174.700 -0.002 0.000 1.019 299 T CA -0.307 61.793 62.100 -0.000 0.000 1.010 299 T CB 1.915 70.779 68.868 -0.006 0.000 1.022 299 T HN 0.303 nan 8.240 nan 0.000 0.466 300 V N 3.393 123.303 119.914 -0.007 0.000 2.406 300 V HA 0.267 4.388 4.120 0.001 0.000 0.272 300 V C -0.040 176.048 176.094 -0.010 0.000 1.043 300 V CA -0.715 61.579 62.300 -0.010 0.000 0.915 300 V CB 0.347 32.160 31.823 -0.016 0.000 0.988 300 V HN 0.696 nan 8.190 nan 0.000 0.466 301 I N 4.651 125.215 120.570 -0.009 0.000 2.406 301 I HA 0.135 4.305 4.170 0.001 0.000 0.293 301 I C 0.756 176.868 176.117 -0.008 0.000 1.101 301 I CA 0.981 62.276 61.300 -0.009 0.000 1.334 301 I CB 0.906 38.900 38.000 -0.010 0.000 1.421 301 I HN 0.597 nan 8.210 nan 0.000 0.513 302 S N 5.154 120.849 115.700 -0.008 0.000 2.448 302 S HA 0.213 4.684 4.470 0.001 0.000 0.320 302 S C 1.153 175.750 174.600 -0.005 0.000 1.071 302 S CA -0.648 57.547 58.200 -0.007 0.000 1.113 302 S CB 0.469 63.664 63.200 -0.008 0.000 0.972 302 S HN 0.741 nan 8.310 nan 0.000 0.465 303 E N 3.342 123.540 120.200 -0.004 0.000 2.204 303 E HA -0.153 4.198 4.350 0.001 0.000 0.195 303 E C 1.067 177.666 176.600 -0.002 0.000 0.990 303 E CA 1.233 57.631 56.400 -0.003 0.000 0.821 303 E CB 0.101 29.801 29.700 -0.001 0.000 0.750 303 E HN 0.824 nan 8.360 nan 0.000 0.477 304 E N 0.029 120.228 120.200 -0.002 0.000 2.427 304 E HA -0.074 4.277 4.350 0.001 0.000 0.196 304 E C 1.480 178.078 176.600 -0.002 0.000 1.028 304 E CA 0.687 57.086 56.400 -0.001 0.000 0.864 304 E CB 0.048 29.747 29.700 -0.000 0.000 0.813 304 E HN 0.535 nan 8.360 nan 0.000 0.514 305 I N -4.538 116.029 120.570 -0.004 0.000 3.856 305 I HA 0.469 4.640 4.170 0.001 0.000 0.330 305 I C 0.881 176.995 176.117 -0.004 0.000 1.546 305 I CA -0.079 61.218 61.300 -0.004 0.000 1.132 305 I CB 0.575 38.572 38.000 -0.005 0.000 1.157 305 I HN 0.011 nan 8.210 nan 0.000 0.440 306 G N 1.901 110.699 108.800 -0.004 0.000 2.132 306 G HA2 -0.250 3.711 3.960 0.001 0.000 0.234 306 G HA3 -0.250 3.711 3.960 0.001 0.000 0.234 306 G C 0.110 175.007 174.900 -0.005 0.000 0.989 306 G CA -0.080 45.018 45.100 -0.004 0.000 0.676 306 G HN 0.431 nan 8.290 nan 0.000 0.522 307 M N 1.376 120.973 119.600 -0.006 0.000 2.292 307 M HA 0.197 4.677 4.480 0.001 0.000 0.342 307 M C 0.465 176.760 176.300 -0.008 0.000 1.538 307 M CA 0.481 55.776 55.300 -0.008 0.000 1.163 307 M CB 0.259 32.854 32.600 -0.009 0.000 1.823 307 M HN 0.186 nan 8.290 nan 0.000 0.462 308 E N 3.100 123.294 120.200 -0.009 0.000 1.985 308 E HA -0.036 4.315 4.350 0.001 0.000 0.268 308 E C 0.786 177.379 176.600 -0.012 0.000 1.219 308 E CA -0.325 56.070 56.400 -0.009 0.000 0.942 308 E CB 0.567 30.261 29.700 -0.009 0.000 1.045 308 E HN 0.557 nan 8.360 nan 0.000 0.413 309 L N 4.126 125.342 121.223 -0.011 0.000 2.129 309 L HA -0.239 4.102 4.340 0.001 0.000 0.212 309 L C 1.581 178.441 176.870 -0.016 0.000 1.087 309 L CA 1.896 56.728 54.840 -0.013 0.000 0.757 309 L CB -0.192 41.862 42.059 -0.009 0.000 0.896 309 L HN 0.497 nan 8.230 nan 0.000 0.434 310 E N 0.060 120.252 120.200 -0.014 0.000 2.333 310 E HA -0.234 4.117 4.350 0.001 0.000 0.200 310 E C 0.878 177.466 176.600 -0.020 0.000 1.010 310 E CA 1.306 57.696 56.400 -0.016 0.000 0.841 310 E CB -0.143 29.549 29.700 -0.012 0.000 0.757 310 E HN 0.665 nan 8.360 nan 0.000 0.508 311 K N -0.885 119.502 120.400 -0.021 0.000 2.734 311 K HA 0.476 4.797 4.320 0.001 0.000 0.200 311 K C -0.073 176.510 176.600 -0.028 0.000 1.120 311 K CA -0.323 55.950 56.287 -0.024 0.000 1.067 311 K CB 0.939 33.428 32.500 -0.019 0.000 0.771 311 K HN -0.070 nan 8.250 nan 0.000 0.481 312 A N 1.491 124.292 122.820 -0.032 0.000 2.448 312 A HA 0.347 4.668 4.320 0.001 0.000 0.239 312 A C 0.450 178.000 177.584 -0.057 0.000 1.080 312 A CA 0.533 52.546 52.037 -0.041 0.000 0.779 312 A CB 0.169 19.145 19.000 -0.040 0.000 1.026 312 A HN 0.581 nan 8.150 nan 0.000 0.499 313 T N -1.687 112.826 114.554 -0.069 0.000 2.864 313 T HA 0.529 4.880 4.350 0.001 0.000 0.289 313 T C 0.634 175.253 174.700 -0.135 0.000 1.082 313 T CA -0.672 61.376 62.100 -0.085 0.000 1.009 313 T CB 0.603 69.436 68.868 -0.059 0.000 1.234 313 T HN 0.392 nan 8.240 nan 0.000 0.526 314 L N 0.099 121.227 121.223 -0.160 0.000 2.633 314 L HA 0.089 4.430 4.340 0.001 0.000 0.235 314 L C 2.469 179.258 176.870 -0.134 0.000 1.163 314 L CA 0.948 55.643 54.840 -0.242 0.000 0.859 314 L CB -0.552 41.384 42.059 -0.205 0.000 0.973 314 L HN 0.778 nan 8.230 nan 0.000 0.451 315 E N 0.436 120.593 120.200 -0.072 0.000 2.158 315 E HA -0.151 4.200 4.350 0.001 0.000 0.191 315 E C 1.501 178.089 176.600 -0.020 0.000 0.982 315 E CA 0.838 57.223 56.400 -0.025 0.000 0.823 315 E CB 0.213 29.902 29.700 -0.018 0.000 0.766 315 E HN 0.357 nan 8.360 nan 0.000 0.468 316 D N -0.204 120.169 120.400 -0.044 0.000 2.355 316 D HA -0.001 4.640 4.640 0.001 0.000 0.218 316 D C -0.037 176.252 176.300 -0.018 0.000 1.004 316 D CA 0.232 54.214 54.000 -0.029 0.000 0.880 316 D CB 0.332 41.109 40.800 -0.039 0.000 0.911 316 D HN 0.239 nan 8.370 nan 0.000 0.528 317 L N 1.658 122.858 121.223 -0.038 0.000 2.283 317 L HA 0.288 4.629 4.340 0.001 0.000 0.287 317 L C 1.264 178.225 176.870 0.153 0.000 1.073 317 L CA -0.634 54.215 54.840 0.015 0.000 0.822 317 L CB 1.241 43.178 42.059 -0.203 0.000 1.186 317 L HN -0.159 nan 8.230 nan 0.000 0.436 318 G N 3.187 112.067 108.800 0.134 0.000 2.634 318 G HA2 0.415 4.376 3.960 0.001 0.000 0.255 318 G HA3 0.415 4.376 3.960 0.001 0.000 0.255 318 G C -0.597 174.407 174.900 0.174 0.000 1.205 318 G CA -0.237 44.942 45.100 0.132 0.000 0.884 318 G HN 0.636 nan 8.290 nan 0.000 0.549 319 Q N -1.412 118.456 119.800 0.112 0.000 2.418 319 Q HA 0.613 4.954 4.340 0.001 0.000 0.282 319 Q C -0.890 175.132 176.000 0.036 0.000 1.044 319 Q CA -0.845 54.996 55.803 0.064 0.000 0.813 319 Q CB 2.615 31.361 28.738 0.014 0.000 1.428 319 Q HN 0.853 nan 8.270 nan 0.000 0.402 320 A N 0.685 123.514 122.820 0.015 0.000 2.539 320 A HA 0.426 4.746 4.320 0.001 0.000 0.296 320 A C -0.254 177.324 177.584 -0.010 0.000 1.073 320 A CA -0.591 51.453 52.037 0.010 0.000 0.700 320 A CB 1.730 20.746 19.000 0.027 0.000 1.296 320 A HN 0.776 nan 8.150 nan 0.000 0.405 321 K N -0.292 120.102 120.400 -0.011 0.000 2.148 321 K HA 0.006 4.327 4.320 0.001 0.000 0.204 321 K C 0.745 177.336 176.600 -0.015 0.000 1.050 321 K CA 1.350 57.626 56.287 -0.019 0.000 0.942 321 K CB 0.062 32.553 32.500 -0.015 0.000 0.724 321 K HN 0.595 nan 8.250 nan 0.000 0.446 322 R N -0.441 120.055 120.500 -0.008 0.000 2.643 322 R HA 0.336 4.677 4.340 0.001 0.000 0.269 322 R C -1.921 174.379 176.300 0.000 0.000 1.037 322 R CA -0.719 55.379 56.100 -0.004 0.000 0.894 322 R CB 2.223 32.517 30.300 -0.009 0.000 1.238 322 R HN -0.117 nan 8.270 nan 0.000 0.459 323 V N 3.116 123.034 119.914 0.008 0.000 2.735 323 V HA 0.614 4.735 4.120 0.001 0.000 0.310 323 V C -0.779 175.303 176.094 -0.019 0.000 1.061 323 V CA -0.722 61.578 62.300 0.001 0.000 0.913 323 V CB 2.084 33.926 31.823 0.032 0.000 1.005 323 V HN 0.472 nan 8.190 nan 0.000 0.428 324 V N 5.389 125.275 119.914 -0.048 0.000 2.760 324 V HA 0.622 4.742 4.120 0.001 0.000 0.309 324 V C -0.697 175.352 176.094 -0.076 0.000 1.077 324 V CA -0.393 61.868 62.300 -0.065 0.000 0.910 324 V CB 2.068 33.854 31.823 -0.062 0.000 1.008 324 V HN 0.726 nan 8.190 nan 0.000 0.424 325 I N 4.284 124.820 120.570 -0.057 0.000 2.619 325 I HA 0.561 4.732 4.170 0.001 0.000 0.292 325 I C -0.661 175.492 176.117 0.061 0.000 1.100 325 I CA -0.565 60.725 61.300 -0.017 0.000 1.043 325 I CB 2.474 40.501 38.000 0.046 0.000 1.239 325 I HN 0.823 nan 8.210 nan 0.000 0.420 326 N N 4.320 123.011 118.700 -0.016 0.000 3.184 326 N HA 0.339 5.080 4.740 0.001 0.000 0.353 326 N C 0.350 175.542 175.510 -0.530 0.000 1.441 326 N CA -0.818 52.203 53.050 -0.048 0.000 0.723 326 N CB 0.628 39.082 38.487 -0.055 0.000 1.547 326 N HN 0.425 nan 8.380 nan 0.000 0.624 327 K N -0.875 119.174 120.400 -0.584 0.000 2.148 327 K HA -0.018 4.303 4.320 0.001 0.000 0.204 327 K C -0.140 176.207 176.600 -0.421 0.000 1.050 327 K CA 1.335 57.165 56.287 -0.761 0.000 0.942 327 K CB -0.129 32.151 32.500 -0.368 0.000 0.724 327 K HN 0.544 nan 8.250 nan 0.000 0.446 328 D N -0.111 120.138 120.400 -0.252 0.000 2.423 328 D HA -0.002 4.639 4.640 0.001 0.000 0.212 328 D C 0.319 176.548 176.300 -0.118 0.000 1.060 328 D CA 0.495 54.409 54.000 -0.143 0.000 0.872 328 D CB 1.038 41.782 40.800 -0.093 0.000 1.012 328 D HN 0.306 nan 8.370 nan 0.000 0.503 329 T N -1.761 112.697 114.554 -0.159 0.000 2.883 329 T HA 0.467 4.818 4.350 0.001 0.000 0.301 329 T C -0.665 173.878 174.700 -0.262 0.000 1.158 329 T CA -0.629 61.359 62.100 -0.187 0.000 1.007 329 T CB 2.479 71.252 68.868 -0.158 0.000 1.186 329 T HN -0.326 nan 8.240 nan 0.000 0.499 330 T N 2.425 116.690 114.554 -0.481 0.000 2.786 330 T HA 0.589 4.940 4.350 0.001 0.000 0.283 330 T C -0.453 173.918 174.700 -0.549 0.000 0.992 330 T CA -0.496 61.281 62.100 -0.539 0.000 0.954 330 T CB 1.288 69.689 68.868 -0.780 0.000 0.934 330 T HN 0.800 nan 8.240 nan 0.000 0.440 331 T N 4.510 118.891 114.554 -0.288 0.000 2.767 331 T HA 0.542 4.893 4.350 0.001 0.000 0.284 331 T C 0.117 174.741 174.700 -0.127 0.000 0.973 331 T CA -0.477 61.509 62.100 -0.190 0.000 0.996 331 T CB 0.353 69.149 68.868 -0.119 0.000 0.927 331 T HN 0.428 nan 8.240 nan 0.000 0.456 332 I N 4.189 124.709 120.570 -0.083 0.000 2.362 332 I HA 0.449 4.620 4.170 0.001 0.000 0.289 332 I C -0.341 175.770 176.117 -0.009 0.000 0.994 332 I CA -0.780 60.510 61.300 -0.018 0.000 1.158 332 I CB 1.365 39.388 38.000 0.038 0.000 1.315 332 I HN 0.462 nan 8.210 nan 0.000 0.451 333 I N 5.733 126.299 120.570 -0.007 0.000 2.355 333 I HA 0.246 4.417 4.170 0.001 0.000 0.288 333 I C -0.642 175.475 176.117 -0.000 0.000 0.999 333 I CA -0.388 60.908 61.300 -0.007 0.000 1.163 333 I CB 1.251 39.242 38.000 -0.014 0.000 1.316 333 I HN 0.624 nan 8.210 nan 0.000 0.454 334 D N 5.369 125.771 120.400 0.003 0.000 3.830 334 D HA -0.119 4.522 4.640 0.001 0.000 0.247 334 D C 0.210 176.516 176.300 0.009 0.000 1.073 334 D CA 0.776 54.779 54.000 0.004 0.000 1.116 334 D CB -0.246 40.553 40.800 -0.002 0.000 0.909 334 D HN 0.825 nan 8.370 nan 0.000 0.418 335 G N 1.730 110.540 108.800 0.017 0.000 2.335 335 G HA2 0.331 4.292 3.960 0.001 0.000 0.268 335 G HA3 0.331 4.292 3.960 0.001 0.000 0.268 335 G C 1.405 176.316 174.900 0.019 0.000 1.228 335 G CA -0.226 44.889 45.100 0.024 0.000 0.968 335 G HN 0.439 nan 8.290 nan 0.000 0.459 336 V N 3.472 123.396 119.914 0.018 0.000 3.217 336 V HA 0.025 4.146 4.120 0.001 0.000 0.264 336 V C 2.195 178.302 176.094 0.021 0.000 1.135 336 V CA 0.925 63.233 62.300 0.013 0.000 1.142 336 V CB -0.969 30.855 31.823 0.002 0.000 0.754 336 V HN 0.774 nan 8.190 nan 0.000 0.484 337 G N 0.346 109.164 108.800 0.029 0.000 2.630 337 G HA2 0.082 4.043 3.960 0.001 0.000 0.236 337 G HA3 0.082 4.043 3.960 0.001 0.000 0.236 337 G C -0.236 174.677 174.900 0.022 0.000 1.248 337 G CA -0.358 44.760 45.100 0.030 0.000 0.844 337 G HN 0.488 nan 8.290 nan 0.000 0.588 338 E N 0.382 120.595 120.200 0.021 0.000 2.562 338 E HA 0.041 4.392 4.350 0.001 0.000 0.241 338 E C 1.106 177.713 176.600 0.013 0.000 1.136 338 E CA 0.153 56.563 56.400 0.016 0.000 0.952 338 E CB 0.872 30.582 29.700 0.016 0.000 0.975 338 E HN 0.642 nan 8.360 nan 0.000 0.494 339 E N 3.492 123.699 120.200 0.011 0.000 2.118 339 E HA -0.228 4.122 4.350 0.001 0.000 0.195 339 E C 1.769 178.373 176.600 0.007 0.000 0.992 339 E CA 1.576 57.981 56.400 0.009 0.000 0.804 339 E CB -0.051 29.653 29.700 0.007 0.000 0.741 339 E HN 0.584 nan 8.360 nan 0.000 0.458 340 A N 0.257 123.081 122.820 0.007 0.000 1.972 340 A HA -0.020 4.301 4.320 0.001 0.000 0.219 340 A C 2.321 179.908 177.584 0.005 0.000 1.169 340 A CA 1.786 53.827 52.037 0.005 0.000 0.635 340 A CB -0.665 18.338 19.000 0.005 0.000 0.810 340 A HN 0.352 nan 8.150 nan 0.000 0.446 341 A N -0.280 122.544 122.820 0.006 0.000 1.970 341 A HA 0.110 4.431 4.320 0.001 0.000 0.216 341 A C 2.046 179.634 177.584 0.005 0.000 1.170 341 A CA 1.103 53.143 52.037 0.006 0.000 0.645 341 A CB -0.425 18.579 19.000 0.007 0.000 0.816 341 A HN 0.474 nan 8.150 nan 0.000 0.447 342 I N -0.527 120.047 120.570 0.007 0.000 2.163 342 I HA -0.283 3.888 4.170 0.001 0.000 0.240 342 I C 2.724 178.844 176.117 0.004 0.000 1.081 342 I CA 1.439 62.743 61.300 0.007 0.000 1.353 342 I CB -0.482 37.524 38.000 0.010 0.000 1.054 342 I HN 0.391 nan 8.210 nan 0.000 0.407 343 Q N 0.594 120.397 119.800 0.004 0.000 2.167 343 Q HA -0.092 4.249 4.340 0.001 0.000 0.202 343 Q C 2.346 178.347 176.000 0.002 0.000 0.970 343 Q CA 1.356 57.161 55.803 0.003 0.000 0.855 343 Q CB -0.364 28.376 28.738 0.003 0.000 0.911 343 Q HN 0.640 nan 8.270 nan 0.000 0.438 344 G N 1.200 110.001 108.800 0.002 0.000 2.450 344 G HA2 -0.266 3.695 3.960 0.001 0.000 0.220 344 G HA3 -0.266 3.695 3.960 0.001 0.000 0.220 344 G C 1.568 176.467 174.900 -0.001 0.000 1.130 344 G CA 0.285 45.385 45.100 0.000 0.000 0.760 344 G HN 0.074 nan 8.290 nan 0.000 0.557 345 R N 0.249 120.748 120.500 -0.001 0.000 2.081 345 R HA -0.018 4.323 4.340 0.001 0.000 0.235 345 R C 2.767 179.064 176.300 -0.005 0.000 1.131 345 R CA 1.007 57.105 56.100 -0.004 0.000 0.960 345 R CB -0.930 29.368 30.300 -0.004 0.000 0.856 345 R HN 0.328 nan 8.270 nan 0.000 0.436 346 V N 0.971 120.883 119.914 -0.003 0.000 2.287 346 V HA -0.257 3.864 4.120 0.001 0.000 0.248 346 V C 2.547 178.638 176.094 -0.004 0.000 1.053 346 V CA 2.017 64.315 62.300 -0.004 0.000 1.027 346 V CB -0.966 30.857 31.823 -0.001 0.000 0.646 346 V HN 0.373 nan 8.190 nan 0.000 0.447 347 A N -0.977 121.841 122.820 -0.003 0.000 1.933 347 A HA -0.299 4.022 4.320 0.001 0.000 0.218 347 A C 2.270 179.852 177.584 -0.004 0.000 1.175 347 A CA 2.092 54.128 52.037 -0.003 0.000 0.628 347 A CB -0.517 18.482 19.000 -0.001 0.000 0.814 347 A HN 0.622 nan 8.150 nan 0.000 0.444 348 Q N -0.440 119.357 119.800 -0.005 0.000 2.083 348 Q HA -0.079 4.262 4.340 0.001 0.000 0.198 348 Q C 1.884 177.878 176.000 -0.010 0.000 0.969 348 Q CA 1.445 57.244 55.803 -0.007 0.000 0.838 348 Q CB -0.180 28.554 28.738 -0.007 0.000 0.900 348 Q HN 0.715 nan 8.270 nan 0.000 0.436 349 I N 0.119 120.682 120.570 -0.012 0.000 2.546 349 I HA -0.211 3.960 4.170 0.001 0.000 0.255 349 I C 2.559 178.668 176.117 -0.014 0.000 1.163 349 I CA 0.536 61.827 61.300 -0.016 0.000 1.457 349 I CB -0.270 37.718 38.000 -0.019 0.000 1.092 349 I HN 0.192 nan 8.210 nan 0.000 0.434 350 R N 0.801 121.295 120.500 -0.010 0.000 2.113 350 R HA -0.269 4.071 4.340 0.001 0.000 0.244 350 R C 2.466 178.762 176.300 -0.007 0.000 1.142 350 R CA 1.892 57.987 56.100 -0.007 0.000 0.953 350 R CB -0.298 29.999 30.300 -0.004 0.000 0.860 350 R HN 0.332 nan 8.270 nan 0.000 0.438 351 Q N 0.861 120.657 119.800 -0.007 0.000 2.096 351 Q HA -0.235 4.106 4.340 0.001 0.000 0.204 351 Q C 1.663 177.658 176.000 -0.008 0.000 0.982 351 Q CA 1.933 57.732 55.803 -0.006 0.000 0.850 351 Q CB -0.072 28.663 28.738 -0.005 0.000 0.901 351 Q HN 0.549 nan 8.270 nan 0.000 0.422 352 Q N -0.447 119.345 119.800 -0.012 0.000 2.500 352 Q HA -0.011 4.330 4.340 0.001 0.000 0.213 352 Q C 1.842 177.831 176.000 -0.019 0.000 0.974 352 Q CA 0.742 56.535 55.803 -0.016 0.000 0.918 352 Q CB 0.159 28.884 28.738 -0.021 0.000 0.980 352 Q HN 0.449 nan 8.270 nan 0.000 0.505 353 I N -0.355 120.205 120.570 -0.016 0.000 3.039 353 I HA -0.092 4.079 4.170 0.001 0.000 0.270 353 I C 1.870 177.982 176.117 -0.008 0.000 1.150 353 I CA 0.219 61.511 61.300 -0.015 0.000 1.448 353 I CB 0.056 38.048 38.000 -0.014 0.000 1.197 353 I HN 0.054 nan 8.210 nan 0.000 0.450 354 E N 1.746 121.943 120.200 -0.005 0.000 2.273 354 E HA -0.235 4.115 4.350 0.001 0.000 0.198 354 E C 0.823 177.423 176.600 0.000 0.000 1.002 354 E CA 1.339 57.739 56.400 -0.001 0.000 0.828 354 E CB -0.073 29.626 29.700 -0.001 0.000 0.747 354 E HN 0.688 nan 8.360 nan 0.000 0.491 355 E N -0.832 119.368 120.200 -0.001 0.000 2.945 355 E HA 0.372 4.723 4.350 0.001 0.000 0.196 355 E C -0.247 176.353 176.600 -0.000 0.000 0.965 355 E CA -0.258 56.142 56.400 0.001 0.000 1.270 355 E CB 0.486 30.187 29.700 0.001 0.000 1.045 355 E HN -0.017 nan 8.360 nan 0.000 0.474 356 A N 1.269 124.087 122.820 -0.003 0.000 2.462 356 A HA 0.243 4.564 4.320 0.001 0.000 0.243 356 A C 1.169 178.755 177.584 0.003 0.000 1.076 356 A CA 0.461 52.496 52.037 -0.005 0.000 0.773 356 A CB 0.319 19.311 19.000 -0.014 0.000 1.010 356 A HN 0.360 nan 8.150 nan 0.000 0.493 357 T N -1.137 113.421 114.554 0.007 0.000 3.069 357 T HA 0.372 4.723 4.350 0.001 0.000 0.252 357 T C 0.487 175.200 174.700 0.022 0.000 1.053 357 T CA 0.439 62.547 62.100 0.013 0.000 0.964 357 T CB -0.591 68.284 68.868 0.012 0.000 1.005 357 T HN 1.405 nan 8.240 nan 0.000 0.532 358 S N -0.619 115.098 115.700 0.028 0.000 2.607 358 S HA 0.442 4.913 4.470 0.001 0.000 0.273 358 S C -0.478 174.154 174.600 0.053 0.000 1.148 358 S CA -0.714 57.514 58.200 0.046 0.000 0.833 358 S CB 1.757 64.999 63.200 0.070 0.000 1.130 358 S HN -0.097 nan 8.310 nan 0.000 0.470 359 D N 0.403 120.844 120.400 0.069 0.000 2.183 359 D HA -0.023 4.618 4.640 0.001 0.000 0.203 359 D C 1.268 177.636 176.300 0.113 0.000 0.969 359 D CA 1.306 55.349 54.000 0.070 0.000 0.842 359 D CB -0.265 40.571 40.800 0.059 0.000 0.957 359 D HN 0.649 nan 8.370 nan 0.000 0.484 360 Y N 1.980 122.285 120.300 0.008 0.000 2.314 360 Y HA -0.113 4.438 4.550 0.002 0.000 0.293 360 Y C 1.715 177.625 175.900 0.015 0.000 1.129 360 Y CA 1.109 59.218 58.100 0.015 0.000 1.201 360 Y CB 0.060 38.530 38.460 0.017 0.000 0.999 360 Y HN -0.133 nan 8.280 nan 0.000 0.541 361 D N -0.256 120.123 120.400 -0.035 0.000 2.097 361 D HA -0.154 4.487 4.640 0.001 0.000 0.197 361 D C 2.176 178.417 176.300 -0.099 0.000 0.984 361 D CA 1.231 55.170 54.000 -0.100 0.000 0.826 361 D CB -0.082 40.706 40.800 -0.020 0.000 0.973 361 D HN 0.362 nan 8.370 nan 0.000 0.460 362 R N 0.967 121.441 120.500 -0.045 0.000 2.096 362 R HA -0.155 4.186 4.340 0.001 0.000 0.240 362 R C 2.312 178.580 176.300 -0.054 0.000 1.139 362 R CA 1.270 57.350 56.100 -0.034 0.000 0.952 362 R CB -0.147 30.151 30.300 -0.004 0.000 0.854 362 R HN 0.321 nan 8.270 nan 0.000 0.436 363 E N 0.684 120.846 120.200 -0.064 0.000 2.023 363 E HA -0.224 4.127 4.350 0.001 0.000 0.196 363 E C 1.834 178.353 176.600 -0.135 0.000 1.003 363 E CA 1.654 58.011 56.400 -0.072 0.000 0.809 363 E CB -0.080 29.602 29.700 -0.030 0.000 0.755 363 E HN 0.384 nan 8.360 nan 0.000 0.449 364 K N 0.706 120.952 120.400 -0.257 0.000 2.504 364 K HA -0.057 4.264 4.320 0.001 0.000 0.195 364 K C 1.768 178.265 176.600 -0.172 0.000 1.036 364 K CA 0.601 56.733 56.287 -0.259 0.000 0.984 364 K CB 0.222 32.470 32.500 -0.419 0.000 0.788 364 K HN 0.079 nan 8.250 nan 0.000 0.488 365 L N 2.073 123.218 121.223 -0.131 0.000 2.145 365 L HA -0.079 4.262 4.340 0.001 0.000 0.201 365 L C 2.790 179.620 176.870 -0.067 0.000 1.075 365 L CA 1.714 56.502 54.840 -0.088 0.000 0.773 365 L CB -1.046 40.973 42.059 -0.067 0.000 0.936 365 L HN 0.476 nan 8.230 nan 0.000 0.451 366 Q N -0.397 119.369 119.800 -0.057 0.000 2.297 366 Q HA -0.179 4.162 4.340 0.001 0.000 0.204 366 Q C 1.449 177.428 176.000 -0.036 0.000 0.962 366 Q CA 1.020 56.801 55.803 -0.037 0.000 0.879 366 Q CB -0.293 28.432 28.738 -0.022 0.000 0.947 366 Q HN 0.461 nan 8.270 nan 0.000 0.462 367 E N 1.275 121.445 120.200 -0.049 0.000 2.136 367 E HA -0.243 4.108 4.350 0.001 0.000 0.202 367 E C 2.059 178.633 176.600 -0.042 0.000 1.019 367 E CA 1.767 58.139 56.400 -0.047 0.000 0.819 367 E CB -0.102 29.554 29.700 -0.073 0.000 0.739 367 E HN 0.467 nan 8.360 nan 0.000 0.458 368 R N 0.188 120.657 120.500 -0.051 0.000 2.152 368 R HA -0.110 4.231 4.340 0.001 0.000 0.232 368 R C 2.513 178.797 176.300 -0.027 0.000 1.117 368 R CA 1.383 57.455 56.100 -0.046 0.000 0.981 368 R CB -0.255 30.013 30.300 -0.054 0.000 0.870 368 R HN 0.218 nan 8.270 nan 0.000 0.451 369 V N -2.974 116.927 119.914 -0.021 0.000 3.235 369 V HA 0.209 4.330 4.120 0.001 0.000 0.259 369 V C 2.145 178.236 176.094 -0.005 0.000 1.133 369 V CA 1.019 63.312 62.300 -0.012 0.000 1.128 369 V CB -0.125 31.692 31.823 -0.010 0.000 0.757 369 V HN 0.168 nan 8.190 nan 0.000 0.469 370 A N 1.353 124.170 122.820 -0.005 0.000 1.908 370 A HA -0.167 4.154 4.320 0.001 0.000 0.218 370 A C 2.173 179.762 177.584 0.008 0.000 1.181 370 A CA 2.113 54.151 52.037 0.002 0.000 0.627 370 A CB -0.515 18.486 19.000 0.001 0.000 0.818 370 A HN 0.618 nan 8.150 nan 0.000 0.445 371 K N -0.925 119.482 120.400 0.011 0.000 2.476 371 K HA 0.364 4.684 4.320 0.001 0.000 0.196 371 K C 0.543 177.156 176.600 0.023 0.000 1.025 371 K CA 0.187 56.490 56.287 0.026 0.000 1.138 371 K CB 0.074 32.599 32.500 0.043 0.000 0.860 371 K HN 0.476 nan 8.250 nan 0.000 0.515 372 L N -1.534 119.696 121.223 0.012 0.000 2.966 372 L HA 0.225 4.566 4.340 0.001 0.000 0.262 372 L C 1.296 178.170 176.870 0.007 0.000 1.068 372 L CA 0.030 54.876 54.840 0.010 0.000 1.004 372 L CB 0.080 42.141 42.059 0.003 0.000 1.629 372 L HN 0.037 nan 8.230 nan 0.000 0.542 373 A N 0.509 123.331 122.820 0.004 0.000 3.754 373 A HA 0.412 4.733 4.320 0.001 0.000 0.165 373 A C 1.567 179.153 177.584 0.004 0.000 1.775 373 A CA 0.643 52.681 52.037 0.003 0.000 1.457 373 A CB -1.261 17.739 19.000 0.001 0.000 1.597 373 A HN 0.180 nan 8.150 nan 0.000 0.658 374 G N -1.124 107.678 108.800 0.003 0.000 2.990 374 G HA2 0.471 4.432 3.960 0.001 0.000 0.206 374 G HA3 0.471 4.432 3.960 0.001 0.000 0.206 374 G C 0.950 175.851 174.900 0.002 0.000 1.169 374 G CA 0.985 46.086 45.100 0.002 0.000 0.819 374 G HN 2.041 nan 8.290 nan 0.000 0.517 375 G N -1.710 107.092 108.800 0.004 0.000 2.760 375 G HA2 0.003 3.964 3.960 0.001 0.000 0.246 375 G HA3 0.003 3.964 3.960 0.001 0.000 0.246 375 G C -0.711 174.191 174.900 0.003 0.000 1.359 375 G CA -0.408 44.694 45.100 0.004 0.000 0.861 375 G HN 0.914 nan 8.290 nan 0.000 0.541 376 V N 0.567 120.482 119.914 0.002 0.000 2.409 376 V HA 0.725 4.846 4.120 0.001 0.000 0.290 376 V C 0.768 176.860 176.094 -0.002 0.000 1.017 376 V CA -0.038 62.263 62.300 0.002 0.000 0.841 376 V CB 0.960 32.786 31.823 0.005 0.000 1.003 376 V HN 2.043 nan 8.190 nan 0.000 0.426 377 A N 4.626 127.444 122.820 -0.004 0.000 2.327 377 A HA 0.832 5.153 4.320 0.001 0.000 0.283 377 A C -0.461 177.118 177.584 -0.008 0.000 1.127 377 A CA -0.419 51.614 52.037 -0.007 0.000 0.810 377 A CB 1.095 20.090 19.000 -0.008 0.000 1.066 377 A HN 0.807 nan 8.150 nan 0.000 0.492 378 V N 4.182 124.090 119.914 -0.010 0.000 2.447 378 V HA 0.275 4.396 4.120 0.001 0.000 0.292 378 V C -0.349 175.737 176.094 -0.013 0.000 1.021 378 V CA -0.119 62.175 62.300 -0.011 0.000 0.850 378 V CB 1.115 32.932 31.823 -0.009 0.000 1.005 378 V HN 0.766 nan 8.190 nan 0.000 0.426 379 I N 4.587 125.147 120.570 -0.016 0.000 2.395 379 I HA 0.366 4.537 4.170 0.001 0.000 0.289 379 I C 0.264 176.372 176.117 -0.015 0.000 1.023 379 I CA -0.241 61.048 61.300 -0.018 0.000 1.350 379 I CB 1.060 39.046 38.000 -0.024 0.000 1.409 379 I HN 0.500 nan 8.210 nan 0.000 0.507 380 K N 6.025 126.417 120.400 -0.013 0.000 2.449 380 K HA 0.454 4.775 4.320 0.001 0.000 0.257 380 K C -1.026 175.568 176.600 -0.010 0.000 0.989 380 K CA -0.583 55.698 56.287 -0.011 0.000 0.916 380 K CB 1.885 34.378 32.500 -0.010 0.000 1.136 380 K HN 0.308 nan 8.250 nan 0.000 0.439 381 V N 2.173 122.082 119.914 -0.009 0.000 2.546 381 V HA 0.429 4.550 4.120 0.001 0.000 0.284 381 V C 0.739 176.829 176.094 -0.006 0.000 1.050 381 V CA -0.437 61.858 62.300 -0.008 0.000 0.981 381 V CB 1.373 33.191 31.823 -0.008 0.000 0.990 381 V HN 0.903 nan 8.190 nan 0.000 0.474 382 G N 2.449 111.246 108.800 -0.005 0.000 2.533 382 G HA2 0.879 4.840 3.960 0.001 0.000 0.304 382 G HA3 0.879 4.840 3.960 0.001 0.000 0.304 382 G C -1.039 173.859 174.900 -0.003 0.000 1.263 382 G CA -0.214 44.884 45.100 -0.004 0.000 0.964 382 G HN 1.219 nan 8.290 nan 0.000 0.479 383 A N -0.894 121.925 122.820 -0.001 0.000 2.605 383 A HA 0.798 5.119 4.320 0.001 0.000 0.294 383 A C 0.533 178.117 177.584 0.000 0.000 1.062 383 A CA 0.442 52.479 52.037 -0.000 0.000 0.682 383 A CB 0.884 19.884 19.000 0.002 0.000 1.278 383 A HN 1.906 nan 8.150 nan 0.000 0.410 384 A N 0.354 123.174 122.820 0.000 0.000 1.855 384 A HA 0.400 4.721 4.320 0.001 0.000 0.213 384 A C 1.495 179.080 177.584 0.002 0.000 1.195 384 A CA 2.301 54.338 52.037 0.001 0.000 0.610 384 A CB -0.830 18.170 19.000 -0.000 0.000 0.837 384 A HN 1.970 nan 8.150 nan 0.000 0.444 385 T N -3.767 110.789 114.554 0.003 0.000 2.910 385 T HA 0.447 4.797 4.350 0.001 0.000 0.279 385 T C 0.671 175.375 174.700 0.007 0.000 0.989 385 T CA 0.143 62.246 62.100 0.005 0.000 0.968 385 T CB 1.675 70.545 68.868 0.005 0.000 1.135 385 T HN 0.310 nan 8.240 nan 0.000 0.562 386 E N -0.462 119.743 120.200 0.009 0.000 2.140 386 E HA -0.054 4.297 4.350 0.001 0.000 0.191 386 E C 2.212 178.820 176.600 0.013 0.000 0.973 386 E CA 0.875 57.282 56.400 0.012 0.000 0.829 386 E CB -0.069 29.640 29.700 0.015 0.000 0.781 386 E HN 0.596 nan 8.360 nan 0.000 0.466 387 V N -0.185 119.736 119.914 0.012 0.000 2.453 387 V HA -0.270 3.851 4.120 0.001 0.000 0.252 387 V C 2.146 178.246 176.094 0.010 0.000 1.068 387 V CA 2.321 64.628 62.300 0.012 0.000 1.070 387 V CB -0.750 31.079 31.823 0.009 0.000 0.664 387 V HN 0.254 nan 8.190 nan 0.000 0.461 388 E N -0.099 120.106 120.200 0.008 0.000 2.028 388 E HA -0.252 4.099 4.350 0.001 0.000 0.191 388 E C 2.158 178.763 176.600 0.008 0.000 0.988 388 E CA 1.618 58.022 56.400 0.007 0.000 0.799 388 E CB -0.227 29.476 29.700 0.004 0.000 0.755 388 E HN 0.542 nan 8.360 nan 0.000 0.447 389 M N 1.382 120.987 119.600 0.008 0.000 2.144 389 M HA -0.174 4.307 4.480 0.001 0.000 0.260 389 M C 1.703 178.011 176.300 0.012 0.000 1.067 389 M CA 1.733 57.038 55.300 0.009 0.000 1.095 389 M CB -0.019 32.587 32.600 0.009 0.000 1.365 389 M HN -0.075 nan 8.290 nan 0.000 0.406 390 K N -0.500 119.909 120.400 0.015 0.000 2.360 390 K HA -0.180 4.141 4.320 0.001 0.000 0.201 390 K C 1.566 178.177 176.600 0.019 0.000 1.046 390 K CA 1.500 57.799 56.287 0.020 0.000 0.945 390 K CB -0.049 32.464 32.500 0.023 0.000 0.750 390 K HN 0.635 nan 8.250 nan 0.000 0.464 391 E N -0.028 120.181 120.200 0.015 0.000 2.306 391 E HA -0.044 4.307 4.350 0.001 0.000 0.201 391 E C 1.674 178.281 176.600 0.012 0.000 0.874 391 E CA 0.236 56.644 56.400 0.014 0.000 0.972 391 E CB -0.158 29.550 29.700 0.012 0.000 0.957 391 E HN -0.121 nan 8.360 nan 0.000 0.492 392 K N 1.706 122.111 120.400 0.008 0.000 1.991 392 K HA -0.137 4.184 4.320 0.001 0.000 0.212 392 K C 2.151 178.753 176.600 0.003 0.000 1.049 392 K CA 2.250 58.540 56.287 0.004 0.000 0.932 392 K CB -0.250 32.251 32.500 0.002 0.000 0.717 392 K HN 0.138 nan 8.250 nan 0.000 0.441 393 K N -0.584 119.819 120.400 0.005 0.000 2.097 393 K HA -0.079 4.242 4.320 0.001 0.000 0.206 393 K C 1.924 178.529 176.600 0.008 0.000 1.049 393 K CA 1.138 57.426 56.287 0.003 0.000 0.933 393 K CB -0.256 32.248 32.500 0.007 0.000 0.717 393 K HN 0.261 nan 8.250 nan 0.000 0.442 394 A N 1.595 124.426 122.820 0.018 0.000 1.865 394 A HA -0.194 4.127 4.320 0.001 0.000 0.217 394 A C 2.069 179.669 177.584 0.025 0.000 1.191 394 A CA 1.557 53.612 52.037 0.030 0.000 0.623 394 A CB -0.512 18.508 19.000 0.033 0.000 0.826 394 A HN 0.313 nan 8.150 nan 0.000 0.444 395 R N -0.773 119.736 120.500 0.015 0.000 2.096 395 R HA -0.088 4.253 4.340 0.001 0.000 0.235 395 R C 2.017 178.314 176.300 -0.006 0.000 1.127 395 R CA 1.488 57.593 56.100 0.010 0.000 0.968 395 R CB -0.548 29.755 30.300 0.006 0.000 0.861 395 R HN 0.424 nan 8.270 nan 0.000 0.440 396 V N 1.159 121.064 119.914 -0.016 0.000 2.453 396 V HA -0.183 3.938 4.120 0.001 0.000 0.247 396 V C 2.018 178.068 176.094 -0.073 0.000 1.048 396 V CA 1.668 63.947 62.300 -0.035 0.000 1.049 396 V CB -0.377 31.428 31.823 -0.029 0.000 0.672 396 V HN 0.333 nan 8.190 nan 0.000 0.457 397 E N -0.160 119.993 120.200 -0.078 0.000 2.072 397 E HA -0.208 4.143 4.350 0.001 0.000 0.191 397 E C 1.933 178.377 176.600 -0.261 0.000 0.985 397 E CA 1.265 57.555 56.400 -0.184 0.000 0.801 397 E CB -0.169 29.488 29.700 -0.073 0.000 0.750 397 E HN 0.558 nan 8.360 nan 0.000 0.452 398 D N 0.533 120.920 120.400 -0.022 0.000 2.178 398 D HA -0.108 4.533 4.640 0.001 0.000 0.201 398 D C 1.827 178.136 176.300 0.015 0.000 0.980 398 D CA 1.006 55.054 54.000 0.080 0.000 0.842 398 D CB -0.074 40.780 40.800 0.090 0.000 0.948 398 D HN 0.131 nan 8.370 nan 0.000 0.472 399 A N 1.017 123.819 122.820 -0.030 0.000 1.969 399 A HA -0.100 4.221 4.320 0.001 0.000 0.218 399 A C 2.102 179.652 177.584 -0.056 0.000 1.169 399 A CA 0.618 52.637 52.037 -0.029 0.000 0.635 399 A CB -0.473 18.509 19.000 -0.029 0.000 0.810 399 A HN 0.243 nan 8.150 nan 0.000 0.445 400 L N -0.742 120.398 121.223 -0.138 0.000 2.072 400 L HA -0.121 4.220 4.340 0.001 0.000 0.205 400 L C 2.229 179.018 176.870 -0.135 0.000 1.079 400 L CA 2.091 56.830 54.840 -0.169 0.000 0.752 400 L CB -1.198 40.713 42.059 -0.246 0.000 0.906 400 L HN 0.488 nan 8.230 nan 0.000 0.436 401 H N 0.102 119.180 119.070 0.014 0.000 2.389 401 H HA -0.003 4.554 4.556 0.001 0.000 0.299 401 H C 2.212 177.550 175.328 0.017 0.000 1.081 401 H CA 1.266 57.325 56.048 0.018 0.000 1.345 401 H CB -0.342 29.432 29.762 0.021 0.000 1.393 401 H HN 0.438 nan 8.280 nan 0.000 0.520 402 A N 0.885 123.770 122.820 0.108 0.000 1.898 402 A HA -0.162 4.159 4.320 0.001 0.000 0.216 402 A C 2.680 180.288 177.584 0.041 0.000 1.181 402 A CA 2.311 54.387 52.037 0.065 0.000 0.620 402 A CB -0.918 18.109 19.000 0.044 0.000 0.819 402 A HN 0.579 nan 8.150 nan 0.000 0.442 403 T N -2.020 112.549 114.554 0.024 0.000 2.708 403 T HA -0.157 4.194 4.350 0.001 0.000 0.266 403 T C 1.999 176.713 174.700 0.024 0.000 1.037 403 T CA 1.082 63.191 62.100 0.015 0.000 1.146 403 T CB -0.389 68.479 68.868 0.000 0.000 0.865 403 T HN 0.359 nan 8.240 nan 0.000 0.435 404 R N 1.812 122.334 120.500 0.036 0.000 2.094 404 R HA -0.020 4.321 4.340 0.001 0.000 0.239 404 R C 2.975 179.303 176.300 0.046 0.000 1.137 404 R CA 1.747 57.876 56.100 0.048 0.000 0.943 404 R CB -1.396 28.952 30.300 0.080 0.000 0.850 404 R HN 0.587 nan 8.270 nan 0.000 0.433 405 A N 1.091 123.944 122.820 0.055 0.000 1.940 405 A HA -0.141 4.180 4.320 0.001 0.000 0.219 405 A C 2.410 180.011 177.584 0.028 0.000 1.176 405 A CA 2.078 54.141 52.037 0.043 0.000 0.631 405 A CB -0.573 18.458 19.000 0.050 0.000 0.814 405 A HN 0.425 nan 8.150 nan 0.000 0.446 406 A N -0.827 122.008 122.820 0.025 0.000 1.898 406 A HA 0.061 4.382 4.320 0.001 0.000 0.216 406 A C 2.213 179.806 177.584 0.015 0.000 1.181 406 A CA 1.643 53.690 52.037 0.018 0.000 0.620 406 A CB -0.788 18.222 19.000 0.015 0.000 0.819 406 A HN 0.381 nan 8.150 nan 0.000 0.442 407 V N 1.133 121.057 119.914 0.017 0.000 2.427 407 V HA -0.236 3.885 4.120 0.001 0.000 0.248 407 V C 2.519 178.621 176.094 0.014 0.000 1.051 407 V CA 2.195 64.503 62.300 0.014 0.000 1.048 407 V CB -0.773 31.059 31.823 0.014 0.000 0.666 407 V HN 0.911 nan 8.190 nan 0.000 0.456 408 E N 0.049 120.260 120.200 0.018 0.000 2.385 408 E HA -0.121 4.230 4.350 0.001 0.000 0.194 408 E C 1.699 178.306 176.600 0.013 0.000 1.013 408 E CA 1.069 57.479 56.400 0.017 0.000 0.866 408 E CB 0.141 29.855 29.700 0.022 0.000 0.832 408 E HN 0.676 nan 8.360 nan 0.000 0.500 409 E N 0.050 120.257 120.200 0.011 0.000 2.702 409 E HA 0.224 4.575 4.350 0.001 0.000 0.225 409 E C 0.119 176.723 176.600 0.006 0.000 0.942 409 E CA 0.326 56.730 56.400 0.006 0.000 1.210 409 E CB 1.043 30.744 29.700 0.003 0.000 1.143 409 E HN 0.343 nan 8.360 nan 0.000 0.544 410 G N 0.357 109.162 108.800 0.008 0.000 2.698 410 G HA2 -0.193 3.768 3.960 0.001 0.000 0.225 410 G HA3 -0.193 3.768 3.960 0.001 0.000 0.225 410 G C -0.504 174.401 174.900 0.009 0.000 1.345 410 G CA -0.473 44.632 45.100 0.008 0.000 0.871 410 G HN 0.658 nan 8.290 nan 0.000 0.540 411 V N -2.330 117.589 119.914 0.009 0.000 2.680 411 V HA 0.948 5.069 4.120 0.001 0.000 0.309 411 V C 0.716 176.817 176.094 0.011 0.000 1.052 411 V CA 0.064 62.370 62.300 0.010 0.000 0.908 411 V CB 1.020 32.849 31.823 0.010 0.000 1.001 411 V HN 2.339 nan 8.190 nan 0.000 0.431 412 V N 0.657 120.579 119.914 0.013 0.000 3.181 412 V HA 1.019 5.140 4.120 0.001 0.000 0.314 412 V C 0.626 176.731 176.094 0.019 0.000 1.173 412 V CA -0.687 61.622 62.300 0.016 0.000 1.052 412 V CB 1.396 33.228 31.823 0.015 0.000 1.123 412 V HN 1.833 nan 8.190 nan 0.000 0.454 413 A N 0.584 123.420 122.820 0.026 0.000 2.524 413 A HA 0.631 4.952 4.320 0.001 0.000 0.250 413 A C 0.773 178.375 177.584 0.029 0.000 1.078 413 A CA 0.540 52.595 52.037 0.031 0.000 0.761 413 A CB -0.723 18.305 19.000 0.047 0.000 1.012 413 A HN 1.849 nan 8.150 nan 0.000 0.500 414 G N 0.672 109.486 108.800 0.022 0.000 2.563 414 G HA2 0.522 4.483 3.960 0.001 0.000 0.283 414 G HA3 0.522 4.483 3.960 0.001 0.000 0.283 414 G C 1.112 176.026 174.900 0.022 0.000 1.309 414 G CA -0.003 45.107 45.100 0.017 0.000 1.022 414 G HN 2.228 nan 8.290 nan 0.000 0.501 415 G N -2.035 106.776 108.800 0.019 0.000 2.225 415 G HA2 0.194 4.154 3.960 0.001 0.000 0.267 415 G HA3 0.194 4.154 3.960 0.001 0.000 0.267 415 G C 1.513 176.431 174.900 0.030 0.000 1.024 415 G CA 1.161 46.275 45.100 0.023 0.000 0.784 415 G HN 2.512 nan 8.290 nan 0.000 0.507 416 G N -2.417 106.399 108.800 0.027 0.000 2.189 416 G HA2 -0.211 3.750 3.960 0.001 0.000 0.267 416 G HA3 -0.211 3.750 3.960 0.001 0.000 0.267 416 G C 1.473 176.394 174.900 0.035 0.000 0.975 416 G CA 1.447 46.564 45.100 0.028 0.000 0.644 416 G HN 1.689 nan 8.290 nan 0.000 0.537 417 V N 0.537 120.477 119.914 0.044 0.000 2.720 417 V HA 0.114 4.234 4.120 0.001 0.000 0.256 417 V C 2.995 179.121 176.094 0.054 0.000 1.082 417 V CA 2.603 64.938 62.300 0.059 0.000 1.101 417 V CB -0.538 31.333 31.823 0.080 0.000 0.693 417 V HN 1.112 nan 8.190 nan 0.000 0.479 418 A N -0.279 122.566 122.820 0.042 0.000 1.978 418 A HA -0.199 4.122 4.320 0.001 0.000 0.220 418 A C 2.112 179.711 177.584 0.027 0.000 1.170 418 A CA 2.063 54.120 52.037 0.034 0.000 0.636 418 A CB -0.492 18.523 19.000 0.025 0.000 0.810 418 A HN 0.581 nan 8.150 nan 0.000 0.448 419 L N -0.614 120.624 121.223 0.024 0.000 1.989 419 L HA -0.222 4.119 4.340 0.001 0.000 0.211 419 L C 2.505 179.388 176.870 0.022 0.000 1.071 419 L CA 1.629 56.480 54.840 0.019 0.000 0.749 419 L CB -0.586 41.484 42.059 0.018 0.000 0.890 419 L HN 0.392 nan 8.230 nan 0.000 0.431 420 I N -0.946 119.643 120.570 0.031 0.000 2.286 420 I HA -0.259 3.911 4.170 0.001 0.000 0.248 420 I C 2.818 178.953 176.117 0.030 0.000 1.115 420 I CA 0.869 62.188 61.300 0.033 0.000 1.392 420 I CB -0.434 37.593 38.000 0.045 0.000 1.065 420 I HN 0.286 nan 8.210 nan 0.000 0.418 421 R N 0.846 121.367 120.500 0.035 0.000 2.082 421 R HA -0.153 4.188 4.340 0.001 0.000 0.234 421 R C 2.385 178.696 176.300 0.018 0.000 1.136 421 R CA 1.958 58.076 56.100 0.030 0.000 0.935 421 R CB -1.321 29.002 30.300 0.037 0.000 0.842 421 R HN 0.459 nan 8.270 nan 0.000 0.430 422 V N -1.366 118.558 119.914 0.015 0.000 2.626 422 V HA 0.010 4.131 4.120 0.001 0.000 0.252 422 V C 2.341 178.439 176.094 0.006 0.000 1.067 422 V CA 1.601 63.906 62.300 0.009 0.000 1.081 422 V CB -0.980 30.846 31.823 0.005 0.000 0.686 422 V HN 0.198 nan 8.190 nan 0.000 0.468 423 A N 1.952 124.777 122.820 0.009 0.000 1.877 423 A HA -0.155 4.166 4.320 0.001 0.000 0.216 423 A C 2.635 180.223 177.584 0.005 0.000 1.186 423 A CA 2.585 54.626 52.037 0.007 0.000 0.620 423 A CB -1.120 17.885 19.000 0.010 0.000 0.822 423 A HN 0.944 nan 8.150 nan 0.000 0.443 424 S N 0.342 116.046 115.700 0.006 0.000 2.370 424 S HA -0.214 4.257 4.470 0.001 0.000 0.226 424 S C 1.736 176.336 174.600 -0.000 0.000 1.033 424 S CA 1.594 59.795 58.200 0.002 0.000 1.011 424 S CB -0.506 62.695 63.200 0.002 0.000 0.852 424 S HN 0.606 nan 8.310 nan 0.000 0.457 425 K N 0.861 121.262 120.400 0.001 0.000 2.442 425 K HA 0.146 4.467 4.320 0.001 0.000 0.198 425 K C 1.158 177.757 176.600 -0.001 0.000 1.044 425 K CA 0.840 57.126 56.287 -0.001 0.000 0.948 425 K CB -0.324 32.176 32.500 0.001 0.000 0.762 425 K HN 0.456 nan 8.250 nan 0.000 0.472 426 L N -0.530 120.693 121.223 -0.000 0.000 2.857 426 L HA 0.233 4.574 4.340 0.001 0.000 0.249 426 L C 1.855 178.724 176.870 -0.000 0.000 1.172 426 L CA -0.273 54.566 54.840 -0.000 0.000 0.980 426 L CB 0.202 42.261 42.059 0.000 0.000 1.299 426 L HN 0.025 nan 8.230 nan 0.000 0.535 427 A N 0.433 123.252 122.820 -0.001 0.000 1.948 427 A HA -0.234 4.087 4.320 0.001 0.000 0.220 427 A C 1.773 179.356 177.584 -0.002 0.000 1.177 427 A CA 1.984 54.020 52.037 -0.002 0.000 0.636 427 A CB -0.277 18.721 19.000 -0.004 0.000 0.815 427 A HN 0.433 nan 8.150 nan 0.000 0.449 428 D N -1.143 119.256 120.400 -0.002 0.000 2.349 428 D HA 0.083 4.724 4.640 0.001 0.000 0.215 428 D C 0.341 176.641 176.300 -0.001 0.000 1.016 428 D CA -0.104 53.895 54.000 -0.002 0.000 0.870 428 D CB -0.025 40.773 40.800 -0.003 0.000 0.917 428 D HN 0.362 nan 8.370 nan 0.000 0.524 429 L N 1.915 123.138 121.223 -0.001 0.000 2.453 429 L HA 0.073 4.414 4.340 0.001 0.000 0.272 429 L C 0.155 177.025 176.870 0.000 0.000 1.182 429 L CA 0.537 55.377 54.840 -0.000 0.000 0.858 429 L CB 0.298 42.357 42.059 -0.000 0.000 1.120 429 L HN -0.229 nan 8.230 nan 0.000 0.474 430 R N 2.729 123.229 120.500 0.001 0.000 2.905 430 R HA 0.721 5.062 4.340 0.001 0.000 0.260 430 R C -0.192 176.109 176.300 0.002 0.000 1.086 430 R CA -0.322 55.779 56.100 0.001 0.000 0.978 430 R CB 1.189 31.489 30.300 0.001 0.000 1.215 430 R HN 0.814 nan 8.270 nan 0.000 0.480 431 G N -0.437 108.364 108.800 0.002 0.000 3.122 431 G HA2 0.223 4.184 3.960 0.001 0.000 0.180 431 G HA3 0.223 4.184 3.960 0.001 0.000 0.180 431 G C 0.093 174.994 174.900 0.003 0.000 1.279 431 G CA -0.169 44.933 45.100 0.003 0.000 0.987 431 G HN 0.388 nan 8.290 nan 0.000 0.589 432 Q N -0.394 119.408 119.800 0.003 0.000 2.163 432 Q HA 0.087 4.428 4.340 0.001 0.000 0.198 432 Q C 0.261 176.263 176.000 0.004 0.000 0.954 432 Q CA 0.914 56.719 55.803 0.004 0.000 0.851 432 Q CB 0.091 28.831 28.738 0.004 0.000 0.928 432 Q HN 0.602 nan 8.270 nan 0.000 0.459 433 N N -1.406 117.297 118.700 0.004 0.000 2.697 433 N HA 0.042 4.783 4.740 0.001 0.000 0.272 433 N C -0.049 175.464 175.510 0.004 0.000 1.381 433 N CA -0.505 52.548 53.050 0.004 0.000 0.797 433 N CB 0.835 39.325 38.487 0.005 0.000 1.523 433 N HN -0.230 nan 8.380 nan 0.000 0.518 434 E N -0.070 120.132 120.200 0.004 0.000 2.150 434 E HA -0.121 4.230 4.350 0.001 0.000 0.193 434 E C 0.169 176.773 176.600 0.005 0.000 0.985 434 E CA 1.593 57.996 56.400 0.004 0.000 0.814 434 E CB -0.311 29.391 29.700 0.004 0.000 0.752 434 E HN 0.676 nan 8.360 nan 0.000 0.466 435 D N -0.031 120.373 120.400 0.006 0.000 2.123 435 D HA -0.202 4.439 4.640 0.001 0.000 0.196 435 D C 1.851 178.156 176.300 0.007 0.000 0.992 435 D CA 1.421 55.425 54.000 0.007 0.000 0.833 435 D CB -0.108 40.697 40.800 0.008 0.000 0.954 435 D HN 0.309 nan 8.370 nan 0.000 0.455 436 Q N -0.173 119.631 119.800 0.006 0.000 2.123 436 Q HA -0.052 4.289 4.340 0.001 0.000 0.199 436 Q C 1.714 177.717 176.000 0.005 0.000 0.966 436 Q CA 0.638 56.445 55.803 0.006 0.000 0.845 436 Q CB 0.068 28.809 28.738 0.005 0.000 0.907 436 Q HN 0.269 nan 8.270 nan 0.000 0.439 437 N N 0.119 118.821 118.700 0.004 0.000 2.120 437 N HA -0.133 4.608 4.740 0.001 0.000 0.188 437 N C 1.838 177.350 175.510 0.004 0.000 1.024 437 N CA 1.116 54.169 53.050 0.004 0.000 0.852 437 N CB -0.322 38.167 38.487 0.003 0.000 1.003 437 N HN 0.056 nan 8.380 nan 0.000 0.424 438 V N 0.884 120.801 119.914 0.005 0.000 2.427 438 V HA -0.124 3.997 4.120 0.001 0.000 0.248 438 V C 2.436 178.534 176.094 0.007 0.000 1.051 438 V CA 1.939 64.243 62.300 0.006 0.000 1.048 438 V CB -1.198 30.629 31.823 0.007 0.000 0.666 438 V HN 0.343 nan 8.190 nan 0.000 0.456 439 G N 0.031 108.835 108.800 0.007 0.000 2.418 439 G HA2 -0.229 3.732 3.960 0.001 0.000 0.217 439 G HA3 -0.229 3.732 3.960 0.001 0.000 0.217 439 G C 1.575 176.479 174.900 0.007 0.000 1.158 439 G CA 1.084 46.188 45.100 0.008 0.000 0.771 439 G HN 0.485 nan 8.290 nan 0.000 0.545 440 I N 0.186 120.760 120.570 0.005 0.000 2.127 440 I HA -0.157 4.014 4.170 0.001 0.000 0.241 440 I C 2.680 178.800 176.117 0.005 0.000 1.075 440 I CA 1.283 62.585 61.300 0.004 0.000 1.334 440 I CB -0.061 37.941 38.000 0.003 0.000 1.040 440 I HN -0.003 nan 8.210 nan 0.000 0.405 441 K N 0.283 120.686 120.400 0.005 0.000 2.217 441 K HA -0.006 4.315 4.320 0.001 0.000 0.202 441 K C 1.888 178.492 176.600 0.006 0.000 1.051 441 K CA 0.600 56.890 56.287 0.005 0.000 0.952 441 K CB -0.505 31.997 32.500 0.004 0.000 0.736 441 K HN 0.107 nan 8.250 nan 0.000 0.453 442 V N 0.865 120.783 119.914 0.007 0.000 2.295 442 V HA -0.284 3.837 4.120 0.001 0.000 0.246 442 V C 2.179 178.278 176.094 0.009 0.000 1.049 442 V CA 2.098 64.403 62.300 0.009 0.000 1.024 442 V CB -0.726 31.103 31.823 0.010 0.000 0.648 442 V HN 0.340 nan 8.190 nan 0.000 0.447 443 A N -0.222 122.603 122.820 0.008 0.000 1.877 443 A HA -0.156 4.164 4.320 0.001 0.000 0.216 443 A C 2.194 179.782 177.584 0.007 0.000 1.186 443 A CA 1.860 53.902 52.037 0.007 0.000 0.620 443 A CB -0.562 18.442 19.000 0.005 0.000 0.822 443 A HN 0.496 nan 8.150 nan 0.000 0.443 444 L N -1.172 120.055 121.223 0.006 0.000 2.012 444 L HA -0.209 4.132 4.340 0.001 0.000 0.210 444 L C 2.827 179.702 176.870 0.008 0.000 1.073 444 L CA 1.990 56.834 54.840 0.007 0.000 0.748 444 L CB -0.611 41.451 42.059 0.005 0.000 0.891 444 L HN 0.463 nan 8.230 nan 0.000 0.431 445 R N 0.352 120.857 120.500 0.008 0.000 2.096 445 R HA -0.159 4.181 4.340 0.001 0.000 0.235 445 R C 2.280 178.587 176.300 0.011 0.000 1.127 445 R CA 1.399 57.504 56.100 0.009 0.000 0.968 445 R CB -0.165 30.140 30.300 0.008 0.000 0.861 445 R HN 0.362 nan 8.270 nan 0.000 0.440 446 A N 0.359 123.186 122.820 0.011 0.000 2.014 446 A HA -0.083 4.238 4.320 0.001 0.000 0.218 446 A C 2.046 179.638 177.584 0.014 0.000 1.163 446 A CA 0.989 53.033 52.037 0.013 0.000 0.652 446 A CB -0.278 18.729 19.000 0.013 0.000 0.808 446 A HN 0.331 nan 8.150 nan 0.000 0.449 447 M N -0.349 119.259 119.600 0.013 0.000 2.446 447 M HA -0.136 4.345 4.480 0.001 0.000 0.263 447 M C 1.548 177.859 176.300 0.018 0.000 1.066 447 M CA 1.095 56.404 55.300 0.014 0.000 1.087 447 M CB -0.246 32.361 32.600 0.011 0.000 1.406 447 M HN 0.461 nan 8.290 nan 0.000 0.459 448 E N 0.129 120.340 120.200 0.018 0.000 2.285 448 E HA -0.049 4.302 4.350 0.001 0.000 0.194 448 E C 2.113 178.727 176.600 0.022 0.000 0.997 448 E CA 0.722 57.136 56.400 0.022 0.000 0.845 448 E CB -0.016 29.696 29.700 0.020 0.000 0.782 448 E HN 0.519 nan 8.360 nan 0.000 0.491 449 A N 2.324 125.156 122.820 0.020 0.000 1.908 449 A HA -0.122 4.199 4.320 0.001 0.000 0.218 449 A C -0.311 177.286 177.584 0.022 0.000 1.181 449 A CA 1.145 53.194 52.037 0.019 0.000 0.627 449 A CB -1.348 17.663 19.000 0.018 0.000 0.818 449 A HN 0.131 nan 8.150 nan 0.000 0.445 450 P HA -0.164 nan 4.420 nan 0.000 0.215 450 P C 1.801 179.118 177.300 0.028 0.000 1.157 450 P CA 0.803 63.918 63.100 0.025 0.000 0.868 450 P CB -0.113 31.602 31.700 0.024 0.000 0.788 451 L N -0.059 121.183 121.223 0.032 0.000 2.005 451 L HA -0.129 4.212 4.340 0.001 0.000 0.207 451 L C 2.174 179.064 176.870 0.033 0.000 1.072 451 L CA 2.034 56.897 54.840 0.038 0.000 0.744 451 L CB -1.018 41.069 42.059 0.046 0.000 0.895 451 L HN -0.068 nan 8.230 nan 0.000 0.433 452 R N -0.612 119.905 120.500 0.027 0.000 2.103 452 R HA -0.208 4.132 4.340 0.001 0.000 0.242 452 R C 2.169 178.482 176.300 0.021 0.000 1.142 452 R CA 1.667 57.780 56.100 0.022 0.000 0.960 452 R CB -0.189 30.122 30.300 0.018 0.000 0.858 452 R HN 0.526 nan 8.270 nan 0.000 0.439 453 Q N 0.186 119.999 119.800 0.022 0.000 2.187 453 Q HA -0.003 4.338 4.340 0.001 0.000 0.199 453 Q C 2.192 178.205 176.000 0.022 0.000 0.957 453 Q CA 0.944 56.759 55.803 0.020 0.000 0.857 453 Q CB 0.047 28.796 28.738 0.020 0.000 0.929 453 Q HN 0.425 nan 8.270 nan 0.000 0.453 454 I N -0.053 120.533 120.570 0.026 0.000 2.179 454 I HA -0.249 3.922 4.170 0.001 0.000 0.242 454 I C 2.175 178.312 176.117 0.033 0.000 1.088 454 I CA 0.918 62.235 61.300 0.029 0.000 1.357 454 I CB -0.215 37.805 38.000 0.034 0.000 1.051 454 I HN -0.043 nan 8.210 nan 0.000 0.409 455 V N 0.425 120.360 119.914 0.034 0.000 2.515 455 V HA -0.229 3.891 4.120 0.001 0.000 0.250 455 V C 2.255 178.364 176.094 0.024 0.000 1.058 455 V CA 1.269 63.589 62.300 0.033 0.000 1.064 455 V CB -0.368 31.467 31.823 0.021 0.000 0.675 455 V HN 0.347 nan 8.190 nan 0.000 0.461 456 L N 0.357 121.592 121.223 0.020 0.000 2.109 456 L HA -0.057 4.284 4.340 0.001 0.000 0.207 456 L C 2.156 179.036 176.870 0.017 0.000 1.086 456 L CA 1.762 56.612 54.840 0.017 0.000 0.760 456 L CB -0.918 41.149 42.059 0.015 0.000 0.910 456 L HN 0.293 nan 8.230 nan 0.000 0.437 457 N N -0.928 117.783 118.700 0.019 0.000 2.149 457 N HA -0.215 4.526 4.740 0.001 0.000 0.188 457 N C 1.715 177.236 175.510 0.018 0.000 1.019 457 N CA 1.860 54.920 53.050 0.017 0.000 0.857 457 N CB -0.253 38.244 38.487 0.017 0.000 0.997 457 N HN 0.428 nan 8.380 nan 0.000 0.426 458 C N -0.015 119.300 119.300 0.024 0.000 2.449 458 C HA 0.067 4.528 4.460 0.001 0.000 0.283 458 C C 1.661 176.667 174.990 0.027 0.000 1.453 458 C CA 0.574 59.610 59.018 0.029 0.000 1.779 458 C CB -1.170 26.599 27.740 0.048 0.000 1.779 458 C HN 0.678 nan 8.230 nan 0.000 0.546 459 G N 0.952 109.766 108.800 0.022 0.000 2.149 459 G HA2 -0.186 3.775 3.960 0.001 0.000 0.235 459 G HA3 -0.186 3.775 3.960 0.001 0.000 0.235 459 G C -0.275 174.636 174.900 0.019 0.000 1.018 459 G CA 0.312 45.423 45.100 0.018 0.000 0.728 459 G HN 0.626 nan 8.290 nan 0.000 0.508 460 E N -0.632 119.580 120.200 0.019 0.000 2.370 460 E HA 0.462 4.813 4.350 0.001 0.000 0.259 460 E C -0.526 176.074 176.600 -0.001 0.000 0.947 460 E CA -1.047 55.361 56.400 0.012 0.000 0.809 460 E CB 0.864 30.578 29.700 0.024 0.000 1.300 460 E HN 0.117 nan 8.360 nan 0.000 0.419 461 E N 1.994 122.184 120.200 -0.017 0.000 1.944 461 E HA 0.081 4.432 4.350 0.001 0.000 0.272 461 E C -1.957 174.634 176.600 -0.015 0.000 1.195 461 E CA -1.513 54.878 56.400 -0.015 0.000 0.926 461 E CB 0.457 30.145 29.700 -0.019 0.000 1.051 461 E HN 0.258 nan 8.360 nan 0.000 0.404 462 P HA -0.181 nan 4.420 nan 0.000 0.211 462 P C 1.388 178.691 177.300 0.004 0.000 1.179 462 P CA 1.455 64.556 63.100 0.003 0.000 0.910 462 P CB 0.148 31.853 31.700 0.008 0.000 0.785 463 S N -1.549 114.154 115.700 0.005 0.000 2.561 463 S HA -0.024 4.447 4.470 0.001 0.000 0.225 463 S C 1.848 176.451 174.600 0.004 0.000 0.977 463 S CA 0.511 58.715 58.200 0.007 0.000 0.926 463 S CB -1.427 61.776 63.200 0.005 0.000 0.769 463 S HN -0.093 nan 8.310 nan 0.000 0.533 464 V N 1.464 121.377 119.914 -0.002 0.000 2.379 464 V HA -0.078 4.043 4.120 0.001 0.000 0.245 464 V C 2.540 178.637 176.094 0.005 0.000 1.044 464 V CA 1.325 63.622 62.300 -0.005 0.000 1.036 464 V CB -0.652 31.163 31.823 -0.013 0.000 0.664 464 V HN 0.459 nan 8.190 nan 0.000 0.453 465 V N 0.563 120.476 119.914 -0.001 0.000 2.515 465 V HA -0.215 3.906 4.120 0.001 0.000 0.250 465 V C 2.697 178.840 176.094 0.082 0.000 1.058 465 V CA 1.781 64.102 62.300 0.035 0.000 1.064 465 V CB -1.158 30.639 31.823 -0.044 0.000 0.675 465 V HN 0.536 nan 8.190 nan 0.000 0.461 466 A N 0.726 123.576 122.820 0.049 0.000 1.877 466 A HA -0.226 4.095 4.320 0.001 0.000 0.216 466 A C 2.075 179.683 177.584 0.039 0.000 1.186 466 A CA 2.099 54.165 52.037 0.050 0.000 0.620 466 A CB -0.661 18.358 19.000 0.031 0.000 0.822 466 A HN 0.572 nan 8.150 nan 0.000 0.443 467 N N -0.060 118.652 118.700 0.019 0.000 2.244 467 N HA -0.120 4.621 4.740 0.001 0.000 0.183 467 N C 1.920 177.419 175.510 -0.019 0.000 1.016 467 N CA 2.073 55.121 53.050 -0.003 0.000 0.866 467 N CB -0.762 37.718 38.487 -0.012 0.000 0.980 467 N HN 0.735 nan 8.380 nan 0.000 0.430 468 T N -1.832 112.716 114.554 -0.010 0.000 2.812 468 T HA 0.012 4.363 4.350 0.001 0.000 0.264 468 T C 2.121 176.849 174.700 0.048 0.000 1.042 468 T CA 0.717 62.781 62.100 -0.060 0.000 1.140 468 T CB -0.765 67.985 68.868 -0.196 0.000 0.870 468 T HN -0.107 nan 8.240 nan 0.000 0.445 469 V N 2.112 122.129 119.914 0.172 0.000 2.332 469 V HA -0.171 3.950 4.120 0.001 0.000 0.248 469 V C 2.654 178.789 176.094 0.069 0.000 1.055 469 V CA 1.887 64.318 62.300 0.219 0.000 1.038 469 V CB -0.604 31.339 31.823 0.200 0.000 0.651 469 V HN 0.542 nan 8.190 nan 0.000 0.450 470 K N -0.203 120.207 120.400 0.018 0.000 2.439 470 K HA -0.005 4.316 4.320 0.001 0.000 0.197 470 K C 1.989 178.543 176.600 -0.077 0.000 1.041 470 K CA 0.930 57.204 56.287 -0.022 0.000 0.970 470 K CB -0.193 32.300 32.500 -0.013 0.000 0.773 470 K HN 0.579 nan 8.250 nan 0.000 0.479 471 G N 0.883 109.605 108.800 -0.130 0.000 2.556 471 G HA2 0.019 3.980 3.960 0.001 0.000 0.209 471 G HA3 0.019 3.980 3.960 0.001 0.000 0.209 471 G C 0.635 175.332 174.900 -0.339 0.000 1.159 471 G CA 0.117 45.099 45.100 -0.196 0.000 0.828 471 G HN 0.302 nan 8.290 nan 0.000 0.553 472 G N 0.249 108.671 108.800 -0.630 0.000 2.476 472 G HA2 0.474 4.435 3.960 0.001 0.000 0.269 472 G HA3 0.474 4.435 3.960 0.001 0.000 0.269 472 G C -1.069 173.484 174.900 -0.578 0.000 1.195 472 G CA -0.357 44.059 45.100 -1.140 0.000 0.843 472 G HN 0.135 nan 8.290 nan 0.000 0.545 473 D N -0.040 120.143 120.400 -0.362 0.000 2.228 473 D HA 0.549 5.190 4.640 0.001 0.000 0.247 473 D C 1.051 177.355 176.300 0.006 0.000 0.995 473 D CA 0.850 54.778 54.000 -0.119 0.000 0.903 473 D CB 1.803 42.547 40.800 -0.093 0.000 1.205 473 D HN 0.778 nan 8.370 nan 0.000 0.459 474 G N 2.285 111.100 108.800 0.025 0.000 2.536 474 G HA2 -0.348 3.612 3.960 0.001 0.000 0.280 474 G HA3 -0.348 3.612 3.960 0.001 0.000 0.280 474 G C 0.465 175.421 174.900 0.093 0.000 1.152 474 G CA 0.274 45.407 45.100 0.054 0.000 0.970 474 G HN 0.585 nan 8.290 nan 0.000 0.549 475 N N 0.110 118.874 118.700 0.107 0.000 2.370 475 N HA 0.260 5.001 4.740 0.001 0.000 0.198 475 N C 0.511 176.122 175.510 0.169 0.000 1.156 475 N CA 0.144 53.261 53.050 0.111 0.000 0.839 475 N CB 0.141 38.673 38.487 0.074 0.000 0.989 475 N HN 0.536 nan 8.380 nan 0.000 0.468 476 Y N 1.289 121.625 120.300 0.060 0.000 2.810 476 Y HA 0.174 4.724 4.550 0.001 0.000 0.332 476 Y C 0.811 176.793 175.900 0.136 0.000 1.243 476 Y CA 0.290 58.447 58.100 0.095 0.000 1.537 476 Y CB 0.097 38.600 38.460 0.072 0.000 1.265 476 Y HN 0.033 nan 8.280 nan 0.000 0.572 477 G N 4.156 112.943 108.800 -0.021 0.000 2.550 477 G HA2 0.220 4.181 3.960 0.001 0.000 0.293 477 G HA3 0.220 4.181 3.960 0.001 0.000 0.293 477 G C -2.532 172.357 174.900 -0.019 0.000 1.402 477 G CA -1.019 44.124 45.100 0.071 0.000 0.784 477 G HN 0.523 nan 8.290 nan 0.000 0.482 478 Y N 1.700 121.889 120.300 -0.185 0.000 2.327 478 Y HA 0.513 5.064 4.550 0.001 0.000 0.336 478 Y C 0.285 176.008 175.900 -0.295 0.000 1.035 478 Y CA -1.339 56.471 58.100 -0.483 0.000 1.165 478 Y CB 1.199 39.325 38.460 -0.557 0.000 1.181 478 Y HN 0.435 nan 8.280 nan 0.000 0.494 479 N N 4.404 122.692 118.700 -0.687 0.000 2.408 479 N HA 0.162 4.903 4.740 0.001 0.000 0.257 479 N C 0.306 175.383 175.510 -0.721 0.000 1.064 479 N CA 0.472 53.203 53.050 -0.533 0.000 0.952 479 N CB 1.513 39.776 38.487 -0.373 0.000 1.093 479 N HN 0.872 nan 8.380 nan 0.000 0.490 480 A N 3.268 125.827 122.820 -0.434 0.000 2.168 480 A HA 0.110 4.431 4.320 0.001 0.000 0.215 480 A C 1.665 179.110 177.584 -0.233 0.000 1.152 480 A CA 1.348 53.194 52.037 -0.317 0.000 0.716 480 A CB -0.098 18.820 19.000 -0.136 0.000 0.794 480 A HN 0.716 nan 8.150 nan 0.000 0.465 481 A N -0.905 121.783 122.820 -0.220 0.000 2.035 481 A HA 0.149 4.470 4.320 0.001 0.000 0.208 481 A C 2.123 179.617 177.584 -0.151 0.000 1.206 481 A CA 1.544 53.492 52.037 -0.148 0.000 0.773 481 A CB -0.479 18.453 19.000 -0.112 0.000 0.878 481 A HN 0.589 nan 8.150 nan 0.000 0.469 482 T N -2.934 111.501 114.554 -0.199 0.000 3.044 482 T HA 0.180 4.531 4.350 0.001 0.000 0.250 482 T C 0.277 174.849 174.700 -0.214 0.000 1.081 482 T CA 0.619 62.616 62.100 -0.172 0.000 1.040 482 T CB -0.274 68.504 68.868 -0.151 0.000 0.962 482 T HN 0.490 nan 8.240 nan 0.000 0.506 483 E N 1.887 121.866 120.200 -0.370 0.000 2.320 483 E HA -0.180 4.171 4.350 0.001 0.000 0.234 483 E C -0.213 176.212 176.600 -0.291 0.000 1.183 483 E CA 0.856 57.001 56.400 -0.424 0.000 0.713 483 E CB -1.484 28.154 29.700 -0.103 0.000 1.226 483 E HN 0.967 nan 8.360 nan 0.000 0.382 484 E N -1.014 118.895 120.200 -0.486 0.000 2.430 484 E HA 0.483 4.834 4.350 0.001 0.000 0.279 484 E C -1.067 175.355 176.600 -0.296 0.000 1.003 484 E CA -0.955 55.350 56.400 -0.158 0.000 0.801 484 E CB 0.909 30.590 29.700 -0.031 0.000 1.313 484 E HN 0.044 nan 8.360 nan 0.000 0.459 485 Y N -0.123 120.168 120.300 -0.015 0.000 2.323 485 Y HA 0.690 5.241 4.550 0.001 0.000 0.331 485 Y C 0.824 176.563 175.900 -0.268 0.000 1.092 485 Y CA 0.589 58.552 58.100 -0.228 0.000 1.150 485 Y CB 2.139 40.315 38.460 -0.473 0.000 1.200 485 Y HN 0.797 nan 8.280 nan 0.000 0.472 486 G N 1.175 109.873 108.800 -0.170 0.000 2.554 486 G HA2 0.106 4.067 3.960 0.001 0.000 0.306 486 G HA3 0.106 4.067 3.960 0.001 0.000 0.306 486 G C -1.671 173.205 174.900 -0.041 0.000 1.320 486 G CA -1.209 43.847 45.100 -0.072 0.000 0.800 486 G HN 0.437 nan 8.290 nan 0.000 0.481 487 N N 1.049 119.760 118.700 0.020 0.000 2.427 487 N HA 0.045 4.786 4.740 0.001 0.000 0.269 487 N C 1.795 177.310 175.510 0.009 0.000 1.235 487 N CA -0.250 52.823 53.050 0.039 0.000 0.934 487 N CB 0.540 39.053 38.487 0.044 0.000 1.121 487 N HN 0.337 nan 8.380 nan 0.000 0.480 488 M N 3.408 123.017 119.600 0.015 0.000 2.149 488 M HA -0.180 4.301 4.480 0.001 0.000 0.261 488 M C 1.297 177.598 176.300 0.001 0.000 1.064 488 M CA 1.092 56.392 55.300 0.001 0.000 1.102 488 M CB -0.547 32.064 32.600 0.019 0.000 1.369 488 M HN 0.545 nan 8.290 nan 0.000 0.408 489 I N 0.149 120.726 120.570 0.012 0.000 2.233 489 I HA -0.228 3.942 4.170 0.001 0.000 0.243 489 I C 1.952 178.071 176.117 0.003 0.000 1.093 489 I CA 1.363 62.668 61.300 0.010 0.000 1.380 489 I CB -1.613 36.397 38.000 0.017 0.000 1.067 489 I HN 0.221 nan 8.210 nan 0.000 0.413 490 D N 0.623 121.025 120.400 0.004 0.000 2.144 490 D HA -0.105 4.536 4.640 0.001 0.000 0.200 490 D C 2.326 178.619 176.300 -0.011 0.000 0.978 490 D CA 1.015 55.015 54.000 -0.000 0.000 0.833 490 D CB -0.089 40.713 40.800 0.004 0.000 0.961 490 D HN 0.303 nan 8.370 nan 0.000 0.470 491 M N -0.667 118.922 119.600 -0.019 0.000 2.549 491 M HA 0.030 4.511 4.480 0.001 0.000 0.260 491 M C 1.246 177.527 176.300 -0.031 0.000 1.076 491 M CA 1.022 56.302 55.300 -0.033 0.000 1.090 491 M CB 0.192 32.760 32.600 -0.053 0.000 1.418 491 M HN 0.120 nan 8.290 nan 0.000 0.486 492 G N 1.592 110.379 108.800 -0.021 0.000 2.141 492 G HA2 -0.234 3.727 3.960 0.001 0.000 0.242 492 G HA3 -0.234 3.727 3.960 0.001 0.000 0.242 492 G C 0.086 174.975 174.900 -0.018 0.000 0.982 492 G CA -0.363 44.727 45.100 -0.017 0.000 0.662 492 G HN 0.499 nan 8.290 nan 0.000 0.527 493 I N 1.581 122.139 120.570 -0.021 0.000 2.256 493 I HA 0.393 4.564 4.170 0.001 0.000 0.294 493 I C 0.580 176.694 176.117 -0.005 0.000 1.127 493 I CA -0.176 61.113 61.300 -0.019 0.000 1.247 493 I CB 0.242 38.223 38.000 -0.032 0.000 1.460 493 I HN -0.006 nan 8.210 nan 0.000 0.511 494 L N 4.977 126.199 121.223 -0.001 0.000 2.334 494 L HA 0.499 4.840 4.340 0.001 0.000 0.273 494 L C -0.639 176.237 176.870 0.009 0.000 1.013 494 L CA -0.772 54.071 54.840 0.006 0.000 0.816 494 L CB 2.032 44.094 42.059 0.005 0.000 1.278 494 L HN 0.355 nan 8.230 nan 0.000 0.431 495 D N 3.320 123.727 120.400 0.012 0.000 2.280 495 D HA 0.272 4.913 4.640 0.001 0.000 0.236 495 D C -2.348 173.960 176.300 0.014 0.000 1.082 495 D CA -1.183 52.826 54.000 0.014 0.000 0.834 495 D CB 1.492 42.301 40.800 0.015 0.000 1.100 495 D HN 0.145 nan 8.370 nan 0.000 0.486 496 P HA 0.059 nan 4.420 nan 0.000 0.273 496 P C 0.583 177.892 177.300 0.015 0.000 1.319 496 P CA -0.223 62.888 63.100 0.017 0.000 0.885 496 P CB 0.903 32.618 31.700 0.024 0.000 1.015 497 T N 2.842 117.401 114.554 0.010 0.000 2.685 497 T HA -0.227 4.124 4.350 0.001 0.000 0.268 497 T C 1.652 176.350 174.700 -0.004 0.000 1.034 497 T CA 1.703 63.804 62.100 0.003 0.000 1.149 497 T CB -0.307 68.562 68.868 0.001 0.000 0.860 497 T HN 0.459 nan 8.240 nan 0.000 0.449 498 K N 1.090 121.491 120.400 0.001 0.000 2.113 498 K HA -0.157 4.163 4.320 0.001 0.000 0.208 498 K C 2.384 178.980 176.600 -0.005 0.000 1.047 498 K CA 1.784 58.069 56.287 -0.004 0.000 0.928 498 K CB -0.379 32.128 32.500 0.011 0.000 0.716 498 K HN 0.404 nan 8.250 nan 0.000 0.446 499 V N -1.271 118.650 119.914 0.011 0.000 2.307 499 V HA -0.150 3.971 4.120 0.001 0.000 0.245 499 V C 1.869 177.966 176.094 0.004 0.000 1.045 499 V CA 2.205 64.517 62.300 0.020 0.000 1.024 499 V CB -0.938 30.907 31.823 0.035 0.000 0.651 499 V HN 0.285 nan 8.190 nan 0.000 0.449 500 T N 0.128 114.680 114.554 -0.003 0.000 2.812 500 T HA -0.032 4.319 4.350 0.001 0.000 0.264 500 T C 2.101 176.777 174.700 -0.040 0.000 1.042 500 T CA 1.435 63.529 62.100 -0.011 0.000 1.140 500 T CB -0.383 68.484 68.868 -0.001 0.000 0.870 500 T HN 0.402 nan 8.240 nan 0.000 0.445 501 R N 1.478 121.947 120.500 -0.052 0.000 2.083 501 R HA -0.055 4.286 4.340 0.001 0.000 0.237 501 R C 2.421 178.620 176.300 -0.169 0.000 1.137 501 R CA 1.725 57.774 56.100 -0.085 0.000 0.951 501 R CB -0.807 29.454 30.300 -0.065 0.000 0.851 501 R HN 0.321 nan 8.270 nan 0.000 0.434 502 S N 0.695 116.278 115.700 -0.195 0.000 2.355 502 S HA -0.079 4.392 4.470 0.001 0.000 0.222 502 S C 2.102 176.442 174.600 -0.433 0.000 1.031 502 S CA 1.157 59.102 58.200 -0.424 0.000 0.993 502 S CB -0.368 62.714 63.200 -0.196 0.000 0.859 502 S HN 0.541 nan 8.310 nan 0.000 0.453 503 A N 2.191 124.942 122.820 -0.116 0.000 1.892 503 A HA -0.094 4.227 4.320 0.001 0.000 0.218 503 A C 2.110 179.675 177.584 -0.033 0.000 1.188 503 A CA 1.379 53.415 52.037 -0.002 0.000 0.631 503 A CB -0.859 18.154 19.000 0.022 0.000 0.822 503 A HN 0.437 nan 8.150 nan 0.000 0.447 504 L N -0.339 120.841 121.223 -0.072 0.000 2.046 504 L HA -0.205 4.136 4.340 0.001 0.000 0.208 504 L C 2.419 179.243 176.870 -0.076 0.000 1.077 504 L CA 2.429 57.236 54.840 -0.055 0.000 0.747 504 L CB -1.200 40.829 42.059 -0.050 0.000 0.896 504 L HN 0.557 nan 8.230 nan 0.000 0.432 505 Q N -1.275 118.419 119.800 -0.175 0.000 2.046 505 Q HA -0.215 4.126 4.340 0.001 0.000 0.200 505 Q C 2.074 178.032 176.000 -0.071 0.000 0.975 505 Q CA 1.731 57.427 55.803 -0.178 0.000 0.836 505 Q CB -0.215 28.335 28.738 -0.314 0.000 0.896 505 Q HN 0.492 nan 8.270 nan 0.000 0.428 506 Y N 0.187 120.489 120.300 0.003 0.000 2.242 506 Y HA -0.109 4.442 4.550 0.002 0.000 0.291 506 Y C 2.338 178.240 175.900 0.003 0.000 1.137 506 Y CA 0.593 58.694 58.100 0.002 0.000 1.181 506 Y CB -1.042 37.418 38.460 -0.000 0.000 0.989 506 Y HN 0.121 nan 8.280 nan 0.000 0.527 507 A N 0.441 123.343 122.820 0.137 0.000 1.865 507 A HA -0.159 4.162 4.320 0.001 0.000 0.217 507 A C 2.557 180.175 177.584 0.056 0.000 1.191 507 A CA 2.296 54.380 52.037 0.078 0.000 0.623 507 A CB -1.311 17.719 19.000 0.049 0.000 0.826 507 A HN 0.384 nan 8.150 nan 0.000 0.444 508 A N -0.954 121.889 122.820 0.039 0.000 1.908 508 A HA -0.135 4.186 4.320 0.001 0.000 0.218 508 A C 2.491 180.099 177.584 0.040 0.000 1.181 508 A CA 2.353 54.408 52.037 0.029 0.000 0.627 508 A CB -1.056 17.950 19.000 0.011 0.000 0.818 508 A HN 0.577 nan 8.150 nan 0.000 0.445 509 S N -0.763 114.975 115.700 0.062 0.000 2.351 509 S HA -0.143 4.327 4.470 0.001 0.000 0.220 509 S C 1.933 176.566 174.600 0.055 0.000 1.035 509 S CA 1.837 60.078 58.200 0.069 0.000 1.031 509 S CB -0.540 62.731 63.200 0.119 0.000 0.928 509 S HN 0.313 nan 8.310 nan 0.000 0.433 510 V N 2.085 122.035 119.914 0.060 0.000 2.358 510 V HA -0.084 4.037 4.120 0.001 0.000 0.246 510 V C 2.801 178.913 176.094 0.030 0.000 1.047 510 V CA 1.722 64.045 62.300 0.038 0.000 1.035 510 V CB -1.311 30.533 31.823 0.035 0.000 0.658 510 V HN 0.609 nan 8.190 nan 0.000 0.452 511 A N 0.581 123.421 122.820 0.033 0.000 1.873 511 A HA -0.072 4.249 4.320 0.001 0.000 0.215 511 A C 2.413 180.010 177.584 0.023 0.000 1.186 511 A CA 1.887 53.940 52.037 0.026 0.000 0.616 511 A CB -1.222 17.794 19.000 0.026 0.000 0.823 511 A HN 0.521 nan 8.150 nan 0.000 0.442 512 G N -0.481 108.334 108.800 0.024 0.000 2.443 512 G HA2 -0.076 3.885 3.960 0.001 0.000 0.219 512 G HA3 -0.076 3.885 3.960 0.001 0.000 0.219 512 G C 1.531 176.443 174.900 0.019 0.000 1.131 512 G CA 0.949 46.061 45.100 0.020 0.000 0.775 512 G HN 0.423 nan 8.290 nan 0.000 0.547 513 L N -0.423 120.812 121.223 0.020 0.000 2.044 513 L HA 0.075 4.416 4.340 0.001 0.000 0.205 513 L C 2.859 179.736 176.870 0.013 0.000 1.075 513 L CA 1.063 55.912 54.840 0.015 0.000 0.747 513 L CB -0.331 41.737 42.059 0.014 0.000 0.903 513 L HN 0.231 nan 8.230 nan 0.000 0.435 514 M N 0.692 120.300 119.600 0.014 0.000 2.159 514 M HA -0.208 4.273 4.480 0.001 0.000 0.263 514 M C 2.276 178.585 176.300 0.015 0.000 1.063 514 M CA 1.815 57.123 55.300 0.013 0.000 1.110 514 M CB -0.175 32.433 32.600 0.014 0.000 1.374 514 M HN 0.323 nan 8.290 nan 0.000 0.411 515 I N -1.677 118.903 120.570 0.017 0.000 2.850 515 I HA -0.155 4.016 4.170 0.001 0.000 0.266 515 I C 1.898 178.025 176.117 0.018 0.000 1.257 515 I CA 1.543 62.853 61.300 0.018 0.000 1.465 515 I CB -1.369 36.642 38.000 0.018 0.000 1.091 515 I HN 0.340 nan 8.210 nan 0.000 0.467 516 T N -1.614 112.949 114.554 0.016 0.000 3.072 516 T HA -0.015 4.336 4.350 0.001 0.000 0.266 516 T C 0.950 175.660 174.700 0.016 0.000 1.127 516 T CA 0.486 62.595 62.100 0.016 0.000 1.107 516 T CB -1.204 67.672 68.868 0.013 0.000 0.910 516 T HN 0.371 nan 8.240 nan 0.000 0.513 517 T N 2.994 117.556 114.554 0.014 0.000 2.761 517 T HA 0.168 4.519 4.350 0.001 0.000 0.287 517 T C 0.767 175.480 174.700 0.021 0.000 0.931 517 T CA 0.012 62.118 62.100 0.011 0.000 1.164 517 T CB 0.970 69.846 68.868 0.012 0.000 0.876 517 T HN 0.317 nan 8.240 nan 0.000 0.534 518 E N 1.288 121.501 120.200 0.022 0.000 2.431 518 E HA 0.195 4.546 4.350 0.001 0.000 0.200 518 E C 0.116 176.726 176.600 0.018 0.000 0.995 518 E CA -0.017 56.416 56.400 0.054 0.000 0.915 518 E CB 0.424 30.176 29.700 0.087 0.000 0.930 518 E HN 0.651 nan 8.360 nan 0.000 0.496 519 C N -0.110 119.131 119.300 -0.098 0.000 3.082 519 C HA 0.694 5.154 4.460 0.001 0.000 0.324 519 C C -1.593 173.285 174.990 -0.188 0.000 1.210 519 C CA -0.754 58.074 59.018 -0.316 0.000 1.366 519 C CB 0.595 27.889 27.740 -0.745 0.000 1.756 519 C HN 0.269 nan 8.230 nan 0.000 0.485 520 M N 4.452 123.968 119.600 -0.139 0.000 2.327 520 M HA 0.626 5.107 4.480 0.001 0.000 0.298 520 M C -1.196 175.130 176.300 0.044 0.000 1.065 520 M CA -0.519 54.786 55.300 0.008 0.000 0.916 520 M CB 2.138 34.853 32.600 0.190 0.000 1.630 520 M HN 0.391 nan 8.290 nan 0.000 0.442 521 V N 1.405 121.289 119.914 -0.051 0.000 2.588 521 V HA 0.859 4.980 4.120 0.001 0.000 0.304 521 V C -0.311 175.679 176.094 -0.173 0.000 1.042 521 V CA -0.351 61.909 62.300 -0.066 0.000 0.877 521 V CB 1.999 33.783 31.823 -0.066 0.000 0.996 521 V HN 0.983 nan 8.190 nan 0.000 0.425 522 T N 2.060 116.481 114.554 -0.222 0.000 2.658 522 T HA 0.301 4.652 4.350 0.001 0.000 0.305 522 T C -1.920 172.664 174.700 -0.194 0.000 1.551 522 T CA -0.453 61.467 62.100 -0.300 0.000 0.985 522 T CB 1.782 70.314 68.868 -0.559 0.000 1.731 522 T HN 0.818 nan 8.240 nan 0.000 0.486 523 D N 0.725 121.021 120.400 -0.173 0.000 2.313 523 D HA 0.503 5.144 4.640 0.001 0.000 0.247 523 D C 0.089 176.366 176.300 -0.038 0.000 1.094 523 D CA -0.211 53.739 54.000 -0.084 0.000 0.925 523 D CB 0.480 41.232 40.800 -0.080 0.000 1.188 523 D HN 0.465 nan 8.370 nan 0.000 0.430 524 L N 3.007 124.226 121.223 -0.006 0.000 2.466 524 L HA 0.394 4.735 4.340 0.001 0.000 0.257 524 L C -1.520 175.362 176.870 0.019 0.000 1.189 524 L CA -1.515 53.338 54.840 0.021 0.000 0.813 524 L CB 0.500 42.571 42.059 0.020 0.000 1.118 524 L HN 0.494 nan 8.230 nan 0.000 0.471 525 P HA 0.602 nan 4.420 nan 0.000 0.281 525 P C -0.958 176.353 177.300 0.017 0.000 1.264 525 P CA -0.308 62.808 63.100 0.025 0.000 0.824 525 P CB 1.707 33.428 31.700 0.035 0.000 1.092 526 K N 0.000 120.408 120.400 0.013 0.000 2.780 526 K HA 0.000 4.321 4.320 0.001 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543