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 1sx4_1_A DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.577 177.584 -0.012 0.000 1.274 2 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 2 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 3 A N 1.998 124.814 122.820 -0.006 0.000 2.587 3 A HA 0.484 4.804 4.320 0.001 0.000 0.233 3 A C 0.267 177.847 177.584 -0.007 0.000 1.049 3 A CA 0.546 52.582 52.037 -0.002 0.000 0.754 3 A CB -0.105 18.898 19.000 0.004 0.000 0.977 3 A HN 0.632 nan 8.150 nan 0.000 0.509 4 K N 1.456 121.855 120.400 -0.002 0.000 2.221 4 K HA 0.415 4.735 4.320 0.001 0.000 0.243 4 K C -1.210 175.401 176.600 0.018 0.000 0.968 4 K CA -0.747 55.534 56.287 -0.009 0.000 0.846 4 K CB 1.541 34.032 32.500 -0.016 0.000 1.141 4 K HN 0.675 nan 8.250 nan 0.000 0.434 5 D N 1.950 122.369 120.400 0.032 0.000 2.427 5 D HA 0.207 4.848 4.640 0.001 0.000 0.226 5 D C -0.869 175.542 176.300 0.185 0.000 1.076 5 D CA -0.526 53.548 54.000 0.124 0.000 0.849 5 D CB 0.830 41.748 40.800 0.196 0.000 1.052 5 D HN 0.285 nan 8.370 nan 0.000 0.515 6 V N 1.283 121.247 119.914 0.084 0.000 2.472 6 V HA 0.652 4.773 4.120 0.001 0.000 0.290 6 V C -0.233 175.767 176.094 -0.156 0.000 1.037 6 V CA -0.568 61.707 62.300 -0.042 0.000 0.908 6 V CB 1.543 33.254 31.823 -0.187 0.000 0.985 6 V HN 0.299 nan 8.190 nan 0.000 0.454 7 K N 3.719 123.948 120.400 -0.286 0.000 2.371 7 K HA 0.713 5.034 4.320 0.001 0.000 0.251 7 K C -1.600 174.723 176.600 -0.462 0.000 0.934 7 K CA -0.430 55.630 56.287 -0.378 0.000 0.798 7 K CB 2.252 34.347 32.500 -0.674 0.000 1.204 7 K HN 0.718 nan 8.250 nan 0.000 0.427 8 F N 0.125 120.034 119.950 -0.068 0.000 2.594 8 F HA 0.430 4.957 4.527 0.001 0.000 0.335 8 F C 1.382 177.153 175.800 -0.048 0.000 1.058 8 F CA 0.084 58.062 58.000 -0.036 0.000 0.981 8 F CB 1.551 40.537 39.000 -0.023 0.000 1.289 8 F HN 0.800 nan 8.300 nan 0.000 0.490 9 G N 1.615 110.537 108.800 0.204 0.000 2.648 9 G HA2 -0.520 3.440 3.960 0.001 0.000 0.357 9 G HA3 -0.520 3.440 3.960 0.001 0.000 0.357 9 G C 0.973 175.898 174.900 0.041 0.000 1.342 9 G CA 1.331 46.489 45.100 0.097 0.000 0.978 9 G HN 0.920 nan 8.290 nan 0.000 0.532 10 N N 0.125 118.840 118.700 0.026 0.000 2.120 10 N HA -0.084 4.657 4.740 0.001 0.000 0.188 10 N C 1.792 177.293 175.510 -0.015 0.000 1.024 10 N CA 2.170 55.223 53.050 0.005 0.000 0.852 10 N CB -0.317 38.172 38.487 0.003 0.000 1.003 10 N HN 0.552 nan 8.380 nan 0.000 0.424 11 D N -0.198 120.189 120.400 -0.023 0.000 2.269 11 D HA -0.229 4.411 4.640 0.001 0.000 0.191 11 D C 1.804 178.036 176.300 -0.112 0.000 1.007 11 D CA 2.223 56.184 54.000 -0.066 0.000 0.855 11 D CB -0.675 40.085 40.800 -0.066 0.000 0.979 11 D HN 0.474 nan 8.370 nan 0.000 0.452 12 A N 0.025 122.774 122.820 -0.118 0.000 1.930 12 A HA -0.159 4.162 4.320 0.001 0.000 0.217 12 A C 2.187 179.732 177.584 -0.065 0.000 1.175 12 A CA 1.450 53.388 52.037 -0.166 0.000 0.627 12 A CB -0.392 18.534 19.000 -0.124 0.000 0.815 12 A HN 0.153 nan 8.150 nan 0.000 0.443 13 R N -0.744 119.741 120.500 -0.025 0.000 2.081 13 R HA -0.094 4.247 4.340 0.001 0.000 0.235 13 R C 2.056 178.354 176.300 -0.003 0.000 1.131 13 R CA 1.444 57.543 56.100 -0.000 0.000 0.960 13 R CB -0.640 29.665 30.300 0.008 0.000 0.856 13 R HN 0.382 nan 8.270 nan 0.000 0.436 14 V N 1.914 121.817 119.914 -0.018 0.000 2.287 14 V HA -0.296 3.825 4.120 0.001 0.000 0.248 14 V C 2.273 178.363 176.094 -0.007 0.000 1.053 14 V CA 1.763 64.055 62.300 -0.013 0.000 1.027 14 V CB -0.341 31.470 31.823 -0.021 0.000 0.646 14 V HN 0.303 nan 8.190 nan 0.000 0.447 15 K N -0.569 119.818 120.400 -0.021 0.000 2.002 15 K HA -0.173 4.147 4.320 0.001 0.000 0.209 15 K C 2.146 178.774 176.600 0.047 0.000 1.048 15 K CA 1.754 58.049 56.287 0.014 0.000 0.930 15 K CB -0.717 31.787 32.500 0.007 0.000 0.714 15 K HN 0.407 nan 8.250 nan 0.000 0.438 16 M N 0.880 120.511 119.600 0.051 0.000 2.146 16 M HA -0.219 4.262 4.480 0.001 0.000 0.256 16 M C 2.013 178.337 176.300 0.039 0.000 1.075 16 M CA 1.427 56.763 55.300 0.059 0.000 1.082 16 M CB -0.044 32.586 32.600 0.050 0.000 1.355 16 M HN 0.106 nan 8.290 nan 0.000 0.402 17 L N -0.075 121.164 121.223 0.027 0.000 2.209 17 L HA -0.027 4.314 4.340 0.001 0.000 0.207 17 L C 2.118 179.000 176.870 0.020 0.000 1.094 17 L CA 1.510 56.362 54.840 0.021 0.000 0.790 17 L CB -0.528 41.540 42.059 0.015 0.000 0.932 17 L HN 0.184 nan 8.230 nan 0.000 0.447 18 R N -0.256 120.257 120.500 0.022 0.000 2.091 18 R HA -0.119 4.222 4.340 0.001 0.000 0.238 18 R C 2.211 178.525 176.300 0.023 0.000 1.136 18 R CA 1.283 57.395 56.100 0.020 0.000 0.959 18 R CB -1.193 29.120 30.300 0.022 0.000 0.856 18 R HN 0.546 nan 8.270 nan 0.000 0.437 19 G N 1.028 109.847 108.800 0.031 0.000 2.545 19 G HA2 -0.276 3.685 3.960 0.001 0.000 0.217 19 G HA3 -0.276 3.685 3.960 0.001 0.000 0.217 19 G C 1.519 176.431 174.900 0.020 0.000 1.218 19 G CA 1.317 46.434 45.100 0.028 0.000 0.787 19 G HN 0.151 nan 8.290 nan 0.000 0.571 20 V N 1.506 121.432 119.914 0.020 0.000 2.250 20 V HA -0.338 3.783 4.120 0.001 0.000 0.250 20 V C 2.489 178.591 176.094 0.013 0.000 1.060 20 V CA 2.408 64.717 62.300 0.016 0.000 1.030 20 V CB -1.116 30.718 31.823 0.017 0.000 0.643 20 V HN 0.482 nan 8.190 nan 0.000 0.445 21 N N 0.048 118.756 118.700 0.013 0.000 2.011 21 N HA -0.209 4.532 4.740 0.001 0.000 0.199 21 N C 1.779 177.294 175.510 0.008 0.000 1.047 21 N CA 1.869 54.925 53.050 0.011 0.000 0.863 21 N CB -0.429 38.065 38.487 0.010 0.000 1.056 21 N HN 0.304 nan 8.380 nan 0.000 0.427 22 V N 1.772 121.691 119.914 0.009 0.000 2.250 22 V HA -0.248 3.873 4.120 0.001 0.000 0.250 22 V C 2.243 178.339 176.094 0.004 0.000 1.060 22 V CA 1.515 63.818 62.300 0.006 0.000 1.030 22 V CB -0.772 31.055 31.823 0.007 0.000 0.643 22 V HN 0.398 nan 8.190 nan 0.000 0.445 23 L N 1.075 122.301 121.223 0.005 0.000 1.976 23 L HA -0.121 4.220 4.340 0.001 0.000 0.209 23 L C 2.573 179.444 176.870 0.003 0.000 1.071 23 L CA 2.896 57.738 54.840 0.002 0.000 0.746 23 L CB -1.794 40.267 42.059 0.003 0.000 0.890 23 L HN 0.298 nan 8.230 nan 0.000 0.432 24 A N -0.067 122.756 122.820 0.006 0.000 1.927 24 A HA -0.274 4.046 4.320 0.001 0.000 0.220 24 A C 1.851 179.438 177.584 0.005 0.000 1.185 24 A CA 2.189 54.230 52.037 0.007 0.000 0.639 24 A CB -0.936 18.069 19.000 0.009 0.000 0.820 24 A HN 0.631 nan 8.150 nan 0.000 0.451 25 D N -0.317 120.086 120.400 0.004 0.000 2.269 25 D HA 0.104 4.744 4.640 0.001 0.000 0.208 25 D C 1.964 178.264 176.300 0.001 0.000 0.963 25 D CA 1.147 55.149 54.000 0.003 0.000 0.864 25 D CB -0.334 40.467 40.800 0.003 0.000 0.936 25 D HN 0.479 nan 8.370 nan 0.000 0.505 26 A N 0.265 123.084 122.820 -0.001 0.000 2.067 26 A HA -0.024 4.297 4.320 0.001 0.000 0.217 26 A C 2.240 179.822 177.584 -0.003 0.000 1.156 26 A CA 0.589 52.624 52.037 -0.003 0.000 0.683 26 A CB -0.143 18.853 19.000 -0.006 0.000 0.808 26 A HN 0.153 nan 8.150 nan 0.000 0.455 27 V N -0.162 119.751 119.914 -0.001 0.000 2.878 27 V HA -0.105 4.016 4.120 0.001 0.000 0.250 27 V C 2.175 178.270 176.094 0.002 0.000 1.075 27 V CA 1.548 63.848 62.300 -0.000 0.000 1.096 27 V CB -0.403 31.421 31.823 0.001 0.000 0.724 27 V HN 0.467 nan 8.190 nan 0.000 0.467 28 K N 0.775 121.177 120.400 0.003 0.000 2.148 28 K HA -0.093 4.227 4.320 0.001 0.000 0.204 28 K C 2.051 178.653 176.600 0.004 0.000 1.050 28 K CA 1.536 57.826 56.287 0.005 0.000 0.942 28 K CB -0.313 32.190 32.500 0.006 0.000 0.724 28 K HN 0.562 nan 8.250 nan 0.000 0.446 29 V N -0.143 119.772 119.914 0.002 0.000 2.720 29 V HA -0.163 3.957 4.120 0.001 0.000 0.256 29 V C 2.068 178.163 176.094 0.002 0.000 1.082 29 V CA 2.026 64.327 62.300 0.001 0.000 1.101 29 V CB -1.470 30.353 31.823 -0.001 0.000 0.693 29 V HN 0.324 nan 8.190 nan 0.000 0.479 30 T N -2.261 112.294 114.554 0.001 0.000 3.169 30 T HA 0.284 4.635 4.350 0.001 0.000 0.250 30 T C 0.388 175.090 174.700 0.004 0.000 1.111 30 T CA -0.180 61.921 62.100 0.001 0.000 1.010 30 T CB -0.205 68.663 68.868 -0.000 0.000 0.984 30 T HN 0.330 nan 8.240 nan 0.000 0.537 31 L N 2.481 123.708 121.223 0.006 0.000 2.313 31 L HA 0.632 4.972 4.340 0.001 0.000 0.282 31 L C 0.626 177.503 176.870 0.010 0.000 1.092 31 L CA 1.216 56.062 54.840 0.009 0.000 0.831 31 L CB -0.296 41.770 42.059 0.012 0.000 1.159 31 L HN 0.632 nan 8.230 nan 0.000 0.442 32 G N 4.770 113.575 108.800 0.009 0.000 2.661 32 G HA2 -0.142 3.819 3.960 0.001 0.000 0.685 32 G HA3 -0.142 3.819 3.960 0.001 0.000 0.685 32 G C -2.232 172.669 174.900 0.001 0.000 1.298 32 G CA -0.348 44.756 45.100 0.007 0.000 0.855 32 G HN 0.496 nan 8.290 nan 0.000 0.560 33 P HA -0.050 nan 4.420 nan 0.000 0.218 33 P C 1.010 178.304 177.300 -0.010 0.000 1.148 33 P CA 1.429 64.521 63.100 -0.014 0.000 0.822 33 P CB 0.037 31.720 31.700 -0.029 0.000 0.784 34 K N 0.457 120.855 120.400 -0.004 0.000 2.708 34 K HA 0.246 4.567 4.320 0.001 0.000 0.219 34 K C 1.100 177.701 176.600 0.003 0.000 1.068 34 K CA -0.390 55.897 56.287 0.000 0.000 1.212 34 K CB -0.088 32.416 32.500 0.006 0.000 0.978 34 K HN 0.090 nan 8.250 nan 0.000 0.475 35 G N 0.909 109.710 108.800 0.001 0.000 2.606 35 G HA2 0.201 4.161 3.960 0.001 0.000 0.252 35 G HA3 0.201 4.161 3.960 0.001 0.000 0.252 35 G C -0.245 174.655 174.900 -0.000 0.000 1.206 35 G CA -0.469 44.633 45.100 0.002 0.000 0.861 35 G HN 0.245 nan 8.290 nan 0.000 0.561 36 R N -0.042 120.458 120.500 -0.001 0.000 2.923 36 R HA 0.368 4.708 4.340 0.001 0.000 0.252 36 R C -0.483 175.815 176.300 -0.004 0.000 1.130 36 R CA -0.996 55.102 56.100 -0.002 0.000 1.043 36 R CB 1.290 31.589 30.300 -0.003 0.000 1.205 36 R HN 0.473 nan 8.270 nan 0.000 0.495 37 N N -0.152 118.545 118.700 -0.005 0.000 2.482 37 N HA 0.399 5.139 4.740 0.001 0.000 0.279 37 N C -0.825 174.680 175.510 -0.009 0.000 1.182 37 N CA -0.408 52.638 53.050 -0.007 0.000 0.969 37 N CB 1.763 40.245 38.487 -0.008 0.000 1.201 37 N HN 0.113 nan 8.380 nan 0.000 0.523 38 V N 0.550 120.457 119.914 -0.011 0.000 2.815 38 V HA 0.483 4.603 4.120 0.001 0.000 0.314 38 V C -0.015 176.066 176.094 -0.020 0.000 1.064 38 V CA -0.841 61.450 62.300 -0.015 0.000 0.952 38 V CB 2.093 33.907 31.823 -0.015 0.000 1.020 38 V HN 0.280 nan 8.190 nan 0.000 0.439 39 V N 4.525 124.424 119.914 -0.026 0.000 2.448 39 V HA 0.500 4.621 4.120 0.001 0.000 0.295 39 V C -0.420 175.646 176.094 -0.046 0.000 1.025 39 V CA -0.428 61.851 62.300 -0.035 0.000 0.859 39 V CB 1.487 33.290 31.823 -0.034 0.000 0.988 39 V HN 0.625 nan 8.190 nan 0.000 0.431 40 L N 3.794 124.982 121.223 -0.058 0.000 2.313 40 L HA 0.574 4.914 4.340 0.001 0.000 0.283 40 L C -0.006 176.791 176.870 -0.122 0.000 1.013 40 L CA -0.490 54.303 54.840 -0.078 0.000 0.816 40 L CB 1.588 43.605 42.059 -0.069 0.000 1.236 40 L HN 0.530 nan 8.230 nan 0.000 0.419 41 D N 2.723 123.040 120.400 -0.138 0.000 2.398 41 D HA 0.361 5.002 4.640 0.001 0.000 0.247 41 D C -0.729 175.374 176.300 -0.328 0.000 1.227 41 D CA -0.081 53.812 54.000 -0.180 0.000 0.980 41 D CB 0.978 41.698 40.800 -0.134 0.000 1.106 41 D HN 0.375 nan 8.370 nan 0.000 0.493 42 K N -0.321 119.819 120.400 -0.432 0.000 2.606 42 K HA 0.161 4.482 4.320 0.001 0.000 0.259 42 K C 0.615 176.852 176.600 -0.605 0.000 1.001 42 K CA -0.312 55.415 56.287 -0.933 0.000 0.881 42 K CB 1.361 33.166 32.500 -1.158 0.000 1.288 42 K HN 0.295 nan 8.250 nan 0.000 0.452 43 S N 2.859 118.336 115.700 -0.372 0.000 2.382 43 S HA -0.164 4.307 4.470 0.001 0.000 0.228 43 S C 1.576 176.313 174.600 0.228 0.000 1.027 43 S CA 0.916 59.148 58.200 0.054 0.000 0.991 43 S CB -0.606 62.705 63.200 0.184 0.000 0.823 43 S HN 0.500 nan 8.310 nan 0.000 0.469 44 F N 2.816 122.763 119.950 -0.005 0.000 2.451 44 F HA 0.050 4.577 4.527 0.001 0.000 0.311 44 F C 1.940 177.738 175.800 -0.004 0.000 1.385 44 F CA 0.466 58.464 58.000 -0.004 0.000 1.281 44 F CB -1.811 37.187 39.000 -0.004 0.000 0.869 44 F HN 0.448 nan 8.300 nan 0.000 0.620 45 G N -1.733 107.179 108.800 0.187 0.000 3.259 45 G HA2 0.606 4.566 3.960 0.001 0.000 0.178 45 G HA3 0.606 4.566 3.960 0.001 0.000 0.178 45 G C -0.900 174.001 174.900 0.002 0.000 1.129 45 G CA -0.212 44.934 45.100 0.078 0.000 0.816 45 G HN 0.627 nan 8.290 nan 0.000 0.634 46 A N 0.559 123.380 122.820 0.003 0.000 2.520 46 A HA 0.556 4.877 4.320 0.001 0.000 0.235 46 A C -1.760 175.787 177.584 -0.062 0.000 1.065 46 A CA -0.278 51.745 52.037 -0.024 0.000 0.764 46 A CB -0.590 18.404 19.000 -0.010 0.000 1.002 46 A HN 0.368 nan 8.150 nan 0.000 0.502 47 P HA 0.187 nan 4.420 nan 0.000 0.278 47 P C -0.073 177.187 177.300 -0.067 0.000 1.270 47 P CA 0.135 63.176 63.100 -0.098 0.000 0.800 47 P CB 0.360 32.014 31.700 -0.078 0.000 1.142 48 T N 0.485 114.999 114.554 -0.068 0.000 2.841 48 T HA 0.548 4.899 4.350 0.001 0.000 0.285 48 T C -0.312 174.369 174.700 -0.033 0.000 0.991 48 T CA -0.350 61.726 62.100 -0.040 0.000 0.966 48 T CB 0.063 68.905 68.868 -0.043 0.000 0.962 48 T HN 0.103 nan 8.240 nan 0.000 0.438 49 I N 3.030 123.588 120.570 -0.020 0.000 2.331 49 I HA 0.528 4.698 4.170 0.001 0.000 0.292 49 I C 0.524 176.634 176.117 -0.011 0.000 0.998 49 I CA -0.324 60.966 61.300 -0.017 0.000 1.267 49 I CB 1.678 39.670 38.000 -0.013 0.000 1.386 49 I HN 0.429 nan 8.210 nan 0.000 0.476 50 T N 4.456 119.003 114.554 -0.011 0.000 2.900 50 T HA 0.304 4.654 4.350 0.001 0.000 0.303 50 T C 0.060 174.756 174.700 -0.006 0.000 1.142 50 T CA -0.628 61.468 62.100 -0.007 0.000 1.007 50 T CB 1.723 70.588 68.868 -0.006 0.000 1.156 50 T HN 0.697 nan 8.240 nan 0.000 0.490 51 K N 1.490 121.888 120.400 -0.003 0.000 2.373 51 K HA 0.203 4.523 4.320 0.001 0.000 0.202 51 K C -0.400 176.199 176.600 -0.002 0.000 1.025 51 K CA -0.084 56.202 56.287 -0.003 0.000 1.115 51 K CB 0.293 32.793 32.500 -0.001 0.000 0.858 51 K HN 0.590 nan 8.250 nan 0.000 0.525 52 D N -1.238 119.159 120.400 -0.004 0.000 2.349 52 D HA 0.172 4.813 4.640 0.001 0.000 0.232 52 D C 1.082 177.377 176.300 -0.008 0.000 1.071 52 D CA -0.406 53.590 54.000 -0.006 0.000 0.832 52 D CB 1.563 42.360 40.800 -0.006 0.000 1.086 52 D HN 0.083 nan 8.370 nan 0.000 0.504 53 G N 2.441 111.236 108.800 -0.008 0.000 2.442 53 G HA2 -0.236 3.724 3.960 0.001 0.000 0.219 53 G HA3 -0.236 3.724 3.960 0.001 0.000 0.219 53 G C 1.445 176.338 174.900 -0.012 0.000 1.141 53 G CA 0.805 45.901 45.100 -0.007 0.000 0.763 53 G HN 0.512 nan 8.290 nan 0.000 0.554 54 V N 0.411 120.315 119.914 -0.018 0.000 2.759 54 V HA -0.081 4.039 4.120 0.001 0.000 0.256 54 V C 2.743 178.828 176.094 -0.016 0.000 1.080 54 V CA 2.575 64.862 62.300 -0.023 0.000 1.101 54 V CB -0.225 31.576 31.823 -0.036 0.000 0.698 54 V HN 0.307 nan 8.190 nan 0.000 0.477 55 S N -0.328 115.365 115.700 -0.012 0.000 2.371 55 S HA -0.114 4.357 4.470 0.001 0.000 0.224 55 S C 1.844 176.440 174.600 -0.007 0.000 1.029 55 S CA 1.550 59.747 58.200 -0.006 0.000 0.978 55 S CB -0.013 63.185 63.200 -0.004 0.000 0.833 55 S HN 0.506 nan 8.310 nan 0.000 0.466 56 V N 1.890 121.799 119.914 -0.010 0.000 2.427 56 V HA -0.160 3.961 4.120 0.001 0.000 0.248 56 V C 2.540 178.628 176.094 -0.010 0.000 1.051 56 V CA 1.635 63.928 62.300 -0.011 0.000 1.048 56 V CB -1.070 30.747 31.823 -0.010 0.000 0.666 56 V HN 0.514 nan 8.190 nan 0.000 0.456 57 A N 0.461 123.275 122.820 -0.010 0.000 1.855 57 A HA -0.179 4.142 4.320 0.001 0.000 0.215 57 A C 2.285 179.864 177.584 -0.009 0.000 1.191 57 A CA 1.412 53.443 52.037 -0.009 0.000 0.613 57 A CB -0.507 18.486 19.000 -0.011 0.000 0.829 57 A HN 0.471 nan 8.150 nan 0.000 0.442 58 R N 0.044 120.539 120.500 -0.008 0.000 2.226 58 R HA -0.165 4.175 4.340 0.001 0.000 0.246 58 R C 1.366 177.667 176.300 0.002 0.000 1.161 58 R CA 1.358 57.456 56.100 -0.003 0.000 0.997 58 R CB -0.569 29.732 30.300 0.002 0.000 0.870 58 R HN 0.540 nan 8.270 nan 0.000 0.465 59 E N 0.615 120.814 120.200 -0.002 0.000 2.274 59 E HA 0.016 4.367 4.350 0.001 0.000 0.194 59 E C 0.867 177.463 176.600 -0.007 0.000 0.996 59 E CA 0.311 56.708 56.400 -0.005 0.000 0.840 59 E CB 0.054 29.744 29.700 -0.018 0.000 0.772 59 E HN 0.199 nan 8.360 nan 0.000 0.491 60 I N 2.088 122.653 120.570 -0.007 0.000 2.471 60 I HA 0.118 4.289 4.170 0.001 0.000 0.286 60 I C 0.498 176.611 176.117 -0.006 0.000 1.079 60 I CA 0.203 61.499 61.300 -0.007 0.000 1.398 60 I CB 0.279 38.276 38.000 -0.006 0.000 1.403 60 I HN -0.014 nan 8.210 nan 0.000 0.530 61 E N 6.135 126.331 120.200 -0.006 0.000 2.321 61 E HA 0.532 4.882 4.350 0.001 0.000 0.278 61 E C -2.024 174.572 176.600 -0.006 0.000 0.902 61 E CA -0.670 55.726 56.400 -0.007 0.000 0.758 61 E CB 2.132 31.828 29.700 -0.007 0.000 1.213 61 E HN 0.251 nan 8.360 nan 0.000 0.426 62 L N 2.989 124.208 121.223 -0.007 0.000 2.303 62 L HA 0.337 4.678 4.340 0.001 0.000 0.266 62 L C 1.198 178.065 176.870 -0.004 0.000 1.011 62 L CA -0.182 54.657 54.840 -0.002 0.000 0.818 62 L CB 1.464 43.527 42.059 0.006 0.000 1.326 62 L HN 0.894 nan 8.230 nan 0.000 0.435 63 E N 0.065 120.266 120.200 0.002 0.000 2.076 63 E HA -0.102 4.248 4.350 0.001 0.000 0.190 63 E C 0.229 176.832 176.600 0.005 0.000 0.979 63 E CA 0.320 56.721 56.400 0.001 0.000 0.807 63 E CB 0.123 29.825 29.700 0.004 0.000 0.761 63 E HN 0.650 nan 8.360 nan 0.000 0.454 64 D N 0.904 121.318 120.400 0.023 0.000 2.451 64 D HA -0.079 4.562 4.640 0.001 0.000 0.254 64 D C 0.547 176.859 176.300 0.020 0.000 1.204 64 D CA 0.058 54.088 54.000 0.050 0.000 0.896 64 D CB 0.783 41.633 40.800 0.083 0.000 1.136 64 D HN 0.087 nan 8.370 nan 0.000 0.499 65 K N 3.562 123.937 120.400 -0.043 0.000 2.209 65 K HA -0.132 4.189 4.320 0.001 0.000 0.204 65 K C 1.696 178.139 176.600 -0.261 0.000 1.048 65 K CA 0.884 57.058 56.287 -0.188 0.000 0.940 65 K CB -0.156 32.151 32.500 -0.321 0.000 0.729 65 K HN 0.498 nan 8.250 nan 0.000 0.451 66 F N 1.443 121.382 119.950 -0.019 0.000 2.179 66 F HA -0.011 4.516 4.527 0.001 0.000 0.292 66 F C 2.354 178.145 175.800 -0.015 0.000 1.089 66 F CA 0.857 58.844 58.000 -0.022 0.000 1.295 66 F CB -0.367 38.618 39.000 -0.023 0.000 1.041 66 F HN 0.053 nan 8.300 nan 0.000 0.487 67 E N 0.153 120.454 120.200 0.169 0.000 2.085 67 E HA -0.289 4.062 4.350 0.001 0.000 0.194 67 E C 1.851 178.480 176.600 0.049 0.000 0.994 67 E CA 1.504 57.959 56.400 0.092 0.000 0.801 67 E CB -0.368 29.373 29.700 0.068 0.000 0.743 67 E HN 0.299 nan 8.360 nan 0.000 0.453 68 N N 0.662 119.374 118.700 0.020 0.000 2.069 68 N HA -0.181 4.560 4.740 0.001 0.000 0.191 68 N C 1.788 177.291 175.510 -0.011 0.000 1.031 68 N CA 1.502 54.548 53.050 -0.007 0.000 0.852 68 N CB -0.067 38.401 38.487 -0.031 0.000 1.018 68 N HN 0.070 nan 8.380 nan 0.000 0.423 69 M N -0.428 119.158 119.600 -0.023 0.000 2.108 69 M HA -0.140 4.341 4.480 0.001 0.000 0.257 69 M C 2.181 178.488 176.300 0.011 0.000 1.071 69 M CA 1.813 57.103 55.300 -0.016 0.000 1.093 69 M CB -0.866 31.720 32.600 -0.023 0.000 1.345 69 M HN 0.377 nan 8.290 nan 0.000 0.403 70 G N 0.022 108.842 108.800 0.033 0.000 2.553 70 G HA2 -0.261 3.699 3.960 0.001 0.000 0.218 70 G HA3 -0.261 3.699 3.960 0.001 0.000 0.218 70 G C 1.556 176.466 174.900 0.017 0.000 1.195 70 G CA 1.333 46.452 45.100 0.031 0.000 0.779 70 G HN 0.583 nan 8.290 nan 0.000 0.577 71 A N -0.813 122.015 122.820 0.013 0.000 1.968 71 A HA 0.055 4.375 4.320 0.001 0.000 0.217 71 A C 2.320 179.904 177.584 0.000 0.000 1.169 71 A CA 1.620 53.661 52.037 0.007 0.000 0.638 71 A CB -0.184 18.819 19.000 0.005 0.000 0.812 71 A HN 0.336 nan 8.150 nan 0.000 0.446 72 Q N -0.893 118.905 119.800 -0.004 0.000 2.435 72 Q HA 0.079 4.420 4.340 0.001 0.000 0.207 72 Q C 1.821 177.816 176.000 -0.008 0.000 0.956 72 Q CA 0.717 56.514 55.803 -0.010 0.000 0.917 72 Q CB -0.131 28.597 28.738 -0.017 0.000 0.997 72 Q HN 0.772 nan 8.270 nan 0.000 0.497 73 M N -0.445 119.154 119.600 -0.002 0.000 2.240 73 M HA -0.102 4.379 4.480 0.001 0.000 0.257 73 M C 2.243 178.545 176.300 0.002 0.000 1.107 73 M CA 1.008 56.309 55.300 0.001 0.000 1.169 73 M CB -0.430 32.175 32.600 0.009 0.000 1.307 73 M HN -0.000 nan 8.290 nan 0.000 0.447 74 V N 0.111 120.029 119.914 0.007 0.000 2.370 74 V HA -0.325 3.795 4.120 0.001 0.000 0.252 74 V C 2.165 178.259 176.094 -0.001 0.000 1.068 74 V CA 2.297 64.602 62.300 0.009 0.000 1.061 74 V CB -1.559 30.270 31.823 0.011 0.000 0.656 74 V HN 0.552 nan 8.190 nan 0.000 0.455 75 K N 0.735 121.132 120.400 -0.006 0.000 2.286 75 K HA -0.279 4.041 4.320 0.001 0.000 0.203 75 K C 2.124 178.707 176.600 -0.027 0.000 1.045 75 K CA 2.062 58.341 56.287 -0.014 0.000 0.935 75 K CB -0.185 32.307 32.500 -0.013 0.000 0.737 75 K HN 0.715 nan 8.250 nan 0.000 0.460 76 E N 0.571 120.753 120.200 -0.030 0.000 2.435 76 E HA -0.085 4.266 4.350 0.001 0.000 0.195 76 E C 1.754 178.308 176.600 -0.077 0.000 1.029 76 E CA 0.372 56.740 56.400 -0.054 0.000 0.865 76 E CB 0.277 29.951 29.700 -0.044 0.000 0.833 76 E HN 0.309 nan 8.360 nan 0.000 0.510 77 V N -0.202 119.690 119.914 -0.036 0.000 2.283 77 V HA -0.086 4.035 4.120 0.001 0.000 0.243 77 V C 2.227 178.289 176.094 -0.053 0.000 1.039 77 V CA 1.844 64.133 62.300 -0.018 0.000 1.016 77 V CB -0.475 31.375 31.823 0.044 0.000 0.650 77 V HN 0.250 nan 8.190 nan 0.000 0.449 78 A N 0.236 123.038 122.820 -0.031 0.000 1.986 78 A HA -0.228 4.092 4.320 0.001 0.000 0.220 78 A C 2.629 180.170 177.584 -0.071 0.000 1.171 78 A CA 2.791 54.809 52.037 -0.033 0.000 0.640 78 A CB -1.108 17.880 19.000 -0.021 0.000 0.811 78 A HN 0.883 nan 8.150 nan 0.000 0.451 79 S N -1.370 114.275 115.700 -0.092 0.000 2.395 79 S HA -0.071 4.400 4.470 0.001 0.000 0.225 79 S C 2.120 176.621 174.600 -0.164 0.000 1.027 79 S CA 1.247 59.385 58.200 -0.103 0.000 0.965 79 S CB -0.212 62.940 63.200 -0.080 0.000 0.812 79 S HN 0.412 nan 8.310 nan 0.000 0.482 80 K N 1.491 121.728 120.400 -0.271 0.000 2.007 80 K HA 0.151 4.471 4.320 0.001 0.000 0.206 80 K C 2.449 178.727 176.600 -0.536 0.000 1.047 80 K CA 1.215 57.196 56.287 -0.510 0.000 0.937 80 K CB -1.169 30.828 32.500 -0.838 0.000 0.718 80 K HN 0.406 nan 8.250 nan 0.000 0.438 81 A N 2.277 124.863 122.820 -0.390 0.000 1.929 81 A HA -0.293 4.028 4.320 0.001 0.000 0.221 81 A C 2.012 179.573 177.584 -0.038 0.000 1.211 81 A CA 2.447 54.466 52.037 -0.030 0.000 0.657 81 A CB -0.922 18.107 19.000 0.048 0.000 0.827 81 A HN 0.595 nan 8.150 nan 0.000 0.462 82 N N -1.258 117.387 118.700 -0.092 0.000 2.300 82 N HA -0.131 4.610 4.740 0.001 0.000 0.179 82 N C 0.665 176.117 175.510 -0.098 0.000 1.016 82 N CA 1.180 54.175 53.050 -0.092 0.000 0.876 82 N CB -0.141 38.290 38.487 -0.093 0.000 0.979 82 N HN 0.391 nan 8.380 nan 0.000 0.432 83 D N 0.424 120.766 120.400 -0.095 0.000 2.312 83 D HA 0.014 4.655 4.640 0.001 0.000 0.211 83 D C 1.494 177.787 176.300 -0.012 0.000 0.964 83 D CA 0.356 54.321 54.000 -0.059 0.000 0.877 83 D CB 0.195 40.954 40.800 -0.068 0.000 0.924 83 D HN 0.396 nan 8.370 nan 0.000 0.515 84 A N 0.411 123.234 122.820 0.005 0.000 1.901 84 A HA 0.373 4.694 4.320 0.001 0.000 0.210 84 A C 1.840 179.480 177.584 0.093 0.000 1.208 84 A CA 1.161 53.256 52.037 0.097 0.000 0.644 84 A CB 0.184 19.336 19.000 0.254 0.000 0.863 84 A HN 0.155 nan 8.150 nan 0.000 0.454 85 A N -1.700 121.161 122.820 0.068 0.000 2.609 85 A HA 0.482 4.803 4.320 0.001 0.000 0.286 85 A C 1.364 178.947 177.584 -0.003 0.000 1.138 85 A CA 0.847 52.923 52.037 0.064 0.000 0.960 85 A CB -0.717 18.327 19.000 0.073 0.000 1.208 85 A HN 1.769 nan 8.150 nan 0.000 0.541 86 G N 0.058 108.773 108.800 -0.142 0.000 2.402 86 G HA2 -0.198 3.762 3.960 0.001 0.000 0.300 86 G HA3 -0.198 3.762 3.960 0.001 0.000 0.300 86 G C -0.120 174.691 174.900 -0.148 0.000 0.987 86 G CA 1.050 45.945 45.100 -0.343 0.000 0.881 86 G HN 0.693 nan 8.290 nan 0.000 0.512 87 D N -2.551 117.820 120.400 -0.049 0.000 2.683 87 D HA 0.500 5.141 4.640 0.001 0.000 0.246 87 D C 0.780 177.087 176.300 0.011 0.000 1.238 87 D CA 0.873 54.867 54.000 -0.010 0.000 0.759 87 D CB 0.576 41.387 40.800 0.018 0.000 1.349 87 D HN 1.211 nan 8.370 nan 0.000 0.426 88 G N 0.722 109.530 108.800 0.014 0.000 2.157 88 G HA2 -0.327 3.634 3.960 0.001 0.000 0.248 88 G HA3 -0.327 3.634 3.960 0.001 0.000 0.248 88 G C 1.050 175.966 174.900 0.027 0.000 0.979 88 G CA 1.660 46.775 45.100 0.025 0.000 0.650 88 G HN 0.895 nan 8.290 nan 0.000 0.529 89 T N -2.412 112.150 114.554 0.012 0.000 2.759 89 T HA -0.131 4.219 4.350 0.001 0.000 0.269 89 T C 2.190 176.896 174.700 0.011 0.000 1.042 89 T CA 2.632 64.737 62.100 0.007 0.000 1.140 89 T CB -0.608 68.252 68.868 -0.013 0.000 0.864 89 T HN 0.367 nan 8.240 nan 0.000 0.455 90 T N 1.649 116.208 114.554 0.009 0.000 2.857 90 T HA -0.042 4.309 4.350 0.001 0.000 0.266 90 T C 2.238 176.948 174.700 0.017 0.000 1.048 90 T CA 1.561 63.668 62.100 0.010 0.000 1.139 90 T CB -0.834 68.039 68.868 0.008 0.000 0.874 90 T HN 0.514 nan 8.240 nan 0.000 0.455 91 T N 2.423 116.989 114.554 0.021 0.000 2.580 91 T HA -0.166 4.185 4.350 0.001 0.000 0.265 91 T C 2.380 177.098 174.700 0.031 0.000 1.063 91 T CA 1.503 63.618 62.100 0.025 0.000 1.170 91 T CB -0.840 68.045 68.868 0.028 0.000 0.863 91 T HN 0.438 nan 8.240 nan 0.000 0.418 92 A N 1.311 124.155 122.820 0.041 0.000 1.870 92 A HA -0.277 4.044 4.320 0.001 0.000 0.219 92 A C 2.566 180.175 177.584 0.041 0.000 1.224 92 A CA 2.849 54.919 52.037 0.055 0.000 0.650 92 A CB -1.625 17.422 19.000 0.078 0.000 0.836 92 A HN 0.513 nan 8.150 nan 0.000 0.454 93 T N -0.571 114.001 114.554 0.029 0.000 2.720 93 T HA -0.133 4.218 4.350 0.001 0.000 0.268 93 T C 1.861 176.574 174.700 0.021 0.000 1.037 93 T CA 1.588 63.701 62.100 0.022 0.000 1.144 93 T CB -0.483 68.393 68.868 0.013 0.000 0.864 93 T HN 0.192 nan 8.240 nan 0.000 0.444 94 V N 1.304 121.230 119.914 0.020 0.000 2.295 94 V HA -0.123 3.997 4.120 0.001 0.000 0.246 94 V C 2.475 178.581 176.094 0.020 0.000 1.049 94 V CA 1.479 63.790 62.300 0.018 0.000 1.024 94 V CB -0.602 31.232 31.823 0.017 0.000 0.648 94 V HN 0.452 nan 8.190 nan 0.000 0.447 95 L N -0.269 120.969 121.223 0.025 0.000 2.131 95 L HA -0.174 4.166 4.340 0.001 0.000 0.210 95 L C 2.597 179.482 176.870 0.025 0.000 1.092 95 L CA 1.463 56.317 54.840 0.025 0.000 0.759 95 L CB -0.594 41.482 42.059 0.028 0.000 0.903 95 L HN 0.396 nan 8.230 nan 0.000 0.435 96 A N -0.050 122.787 122.820 0.028 0.000 1.874 96 A HA -0.235 4.086 4.320 0.001 0.000 0.214 96 A C 2.170 179.767 177.584 0.022 0.000 1.189 96 A CA 1.259 53.313 52.037 0.028 0.000 0.615 96 A CB -0.507 18.513 19.000 0.032 0.000 0.830 96 A HN 0.484 nan 8.150 nan 0.000 0.443 97 Q N 0.155 119.967 119.800 0.020 0.000 2.248 97 Q HA -0.091 4.249 4.340 0.001 0.000 0.208 97 Q C 1.723 177.732 176.000 0.015 0.000 0.984 97 Q CA 2.359 58.172 55.803 0.016 0.000 0.875 97 Q CB -0.411 28.336 28.738 0.014 0.000 0.910 97 Q HN 0.517 nan 8.270 nan 0.000 0.433 98 A N 0.493 123.323 122.820 0.016 0.000 1.871 98 A HA 0.065 4.386 4.320 0.001 0.000 0.211 98 A C 2.079 179.672 177.584 0.014 0.000 1.207 98 A CA 0.886 52.932 52.037 0.014 0.000 0.620 98 A CB -0.484 18.525 19.000 0.014 0.000 0.860 98 A HN 0.423 nan 8.150 nan 0.000 0.450 99 I N 0.176 120.756 120.570 0.016 0.000 2.118 99 I HA -0.318 3.852 4.170 0.001 0.000 0.241 99 I C 2.339 178.465 176.117 0.016 0.000 1.070 99 I CA 1.651 62.961 61.300 0.016 0.000 1.327 99 I CB -0.513 37.497 38.000 0.018 0.000 1.034 99 I HN 0.307 nan 8.210 nan 0.000 0.405 100 I N 0.255 120.836 120.570 0.017 0.000 2.127 100 I HA -0.320 3.851 4.170 0.001 0.000 0.241 100 I C 2.631 178.756 176.117 0.014 0.000 1.075 100 I CA 1.777 63.087 61.300 0.017 0.000 1.334 100 I CB -0.818 37.193 38.000 0.018 0.000 1.040 100 I HN 0.256 nan 8.210 nan 0.000 0.405 101 T N 0.235 114.797 114.554 0.013 0.000 2.544 101 T HA -0.227 4.123 4.350 0.001 0.000 0.264 101 T C 1.886 176.593 174.700 0.010 0.000 1.096 101 T CA 1.672 63.778 62.100 0.011 0.000 1.181 101 T CB -0.268 68.606 68.868 0.010 0.000 0.864 101 T HN 0.263 nan 8.240 nan 0.000 0.415 102 E N 0.546 120.752 120.200 0.010 0.000 2.070 102 E HA -0.087 4.264 4.350 0.001 0.000 0.197 102 E C 2.486 179.092 176.600 0.009 0.000 1.004 102 E CA 1.452 57.857 56.400 0.009 0.000 0.805 102 E CB -1.104 28.601 29.700 0.009 0.000 0.744 102 E HN 0.568 nan 8.360 nan 0.000 0.451 103 G N 1.140 109.947 108.800 0.011 0.000 2.446 103 G HA2 -0.249 3.712 3.960 0.001 0.000 0.217 103 G HA3 -0.249 3.712 3.960 0.001 0.000 0.217 103 G C 1.719 176.626 174.900 0.012 0.000 1.168 103 G CA 0.860 45.967 45.100 0.012 0.000 0.771 103 G HN 0.245 nan 8.290 nan 0.000 0.551 104 L N 0.126 121.357 121.223 0.012 0.000 2.187 104 L HA -0.091 4.250 4.340 0.001 0.000 0.213 104 L C 2.785 179.661 176.870 0.009 0.000 1.100 104 L CA 1.514 56.361 54.840 0.012 0.000 0.765 104 L CB -0.305 41.761 42.059 0.012 0.000 0.904 104 L HN 0.283 nan 8.230 nan 0.000 0.437 105 K N 0.206 120.611 120.400 0.008 0.000 2.228 105 K HA -0.066 4.255 4.320 0.001 0.000 0.202 105 K C 2.007 178.611 176.600 0.006 0.000 1.051 105 K CA 0.913 57.203 56.287 0.006 0.000 0.960 105 K CB 0.114 32.617 32.500 0.006 0.000 0.743 105 K HN 0.252 nan 8.250 nan 0.000 0.458 106 A N 0.252 123.076 122.820 0.007 0.000 2.021 106 A HA 0.017 4.338 4.320 0.001 0.000 0.216 106 A C 1.982 179.570 177.584 0.008 0.000 1.163 106 A CA 0.547 52.588 52.037 0.007 0.000 0.676 106 A CB -0.065 18.939 19.000 0.007 0.000 0.818 106 A HN 0.120 nan 8.150 nan 0.000 0.453 107 V N 0.020 119.940 119.914 0.009 0.000 2.427 107 V HA -0.210 3.911 4.120 0.001 0.000 0.248 107 V C 2.973 179.072 176.094 0.008 0.000 1.051 107 V CA 1.734 64.040 62.300 0.010 0.000 1.048 107 V CB -1.101 30.730 31.823 0.013 0.000 0.666 107 V HN 0.560 nan 8.190 nan 0.000 0.456 108 A N 0.049 122.873 122.820 0.007 0.000 2.070 108 A HA -0.039 4.282 4.320 0.001 0.000 0.220 108 A C 2.273 179.859 177.584 0.004 0.000 1.159 108 A CA 1.706 53.746 52.037 0.005 0.000 0.656 108 A CB -0.513 18.490 19.000 0.004 0.000 0.800 108 A HN 0.576 nan 8.150 nan 0.000 0.453 109 A N -1.719 121.103 122.820 0.004 0.000 2.167 109 A HA 0.392 4.713 4.320 0.001 0.000 0.214 109 A C 1.744 179.329 177.584 0.003 0.000 1.151 109 A CA 1.260 53.299 52.037 0.003 0.000 0.735 109 A CB -0.761 18.241 19.000 0.003 0.000 0.802 109 A HN 1.882 nan 8.150 nan 0.000 0.467 110 G N -1.402 107.400 108.800 0.004 0.000 2.140 110 G HA2 -0.201 3.760 3.960 0.001 0.000 0.211 110 G HA3 -0.201 3.760 3.960 0.001 0.000 0.211 110 G C 0.044 174.947 174.900 0.004 0.000 1.013 110 G CA 0.159 45.261 45.100 0.004 0.000 0.705 110 G HN 0.366 nan 8.290 nan 0.000 0.508 111 M N 0.304 119.908 119.600 0.006 0.000 2.241 111 M HA 0.255 4.736 4.480 0.001 0.000 0.335 111 M C 0.792 177.097 176.300 0.008 0.000 1.122 111 M CA -0.600 54.704 55.300 0.006 0.000 1.164 111 M CB 0.514 33.118 32.600 0.006 0.000 1.459 111 M HN 0.214 nan 8.290 nan 0.000 0.461 112 N N 2.976 121.680 118.700 0.008 0.000 2.405 112 N HA 0.144 4.885 4.740 0.001 0.000 0.260 112 N C -2.207 173.309 175.510 0.011 0.000 1.152 112 N CA -1.750 51.306 53.050 0.010 0.000 0.948 112 N CB 0.771 39.263 38.487 0.008 0.000 1.111 112 N HN 0.210 nan 8.380 nan 0.000 0.485 113 P HA -0.163 nan 4.420 nan 0.000 0.215 113 P C 1.707 179.016 177.300 0.015 0.000 1.153 113 P CA 1.114 64.224 63.100 0.015 0.000 0.853 113 P CB 0.114 31.825 31.700 0.019 0.000 0.788 114 M N -0.409 119.200 119.600 0.015 0.000 2.143 114 M HA -0.193 4.287 4.480 0.001 0.000 0.258 114 M C 1.238 177.545 176.300 0.012 0.000 1.071 114 M CA 1.767 57.075 55.300 0.014 0.000 1.088 114 M CB -1.548 31.061 32.600 0.014 0.000 1.360 114 M HN -0.026 nan 8.290 nan 0.000 0.404 115 D N -0.451 119.956 120.400 0.010 0.000 2.234 115 D HA 0.015 4.656 4.640 0.001 0.000 0.205 115 D C 2.178 178.484 176.300 0.009 0.000 0.962 115 D CA 0.531 54.536 54.000 0.009 0.000 0.855 115 D CB 0.078 40.883 40.800 0.007 0.000 0.951 115 D HN 0.335 nan 8.370 nan 0.000 0.500 116 L N 0.651 121.880 121.223 0.010 0.000 2.093 116 L HA -0.133 4.208 4.340 0.001 0.000 0.208 116 L C 2.449 179.325 176.870 0.010 0.000 1.085 116 L CA 0.966 55.812 54.840 0.010 0.000 0.755 116 L CB -0.181 41.885 42.059 0.011 0.000 0.904 116 L HN -0.009 nan 8.230 nan 0.000 0.435 117 K N 0.360 120.766 120.400 0.012 0.000 1.985 117 K HA -0.191 4.130 4.320 0.001 0.000 0.210 117 K C 2.257 178.863 176.600 0.010 0.000 1.047 117 K CA 1.269 57.563 56.287 0.012 0.000 0.932 117 K CB -0.058 32.451 32.500 0.014 0.000 0.716 117 K HN 0.117 nan 8.250 nan 0.000 0.439 118 R N -0.149 120.356 120.500 0.009 0.000 2.113 118 R HA -0.155 4.185 4.340 0.001 0.000 0.244 118 R C 2.501 178.805 176.300 0.006 0.000 1.142 118 R CA 1.678 57.782 56.100 0.007 0.000 0.953 118 R CB -0.861 29.443 30.300 0.007 0.000 0.860 118 R HN 0.502 nan 8.270 nan 0.000 0.438 119 G N 1.290 110.094 108.800 0.006 0.000 2.421 119 G HA2 -0.222 3.738 3.960 0.001 0.000 0.216 119 G HA3 -0.222 3.738 3.960 0.001 0.000 0.216 119 G C 1.529 176.432 174.900 0.005 0.000 1.171 119 G CA 0.556 45.659 45.100 0.005 0.000 0.775 119 G HN 0.174 nan 8.290 nan 0.000 0.543 120 I N 1.150 121.724 120.570 0.006 0.000 2.151 120 I HA -0.192 3.979 4.170 0.001 0.000 0.243 120 I C 2.341 178.460 176.117 0.004 0.000 1.080 120 I CA 1.495 62.798 61.300 0.006 0.000 1.339 120 I CB -0.112 37.893 38.000 0.009 0.000 1.039 120 I HN 0.094 nan 8.210 nan 0.000 0.409 121 D N 0.481 120.883 120.400 0.004 0.000 2.103 121 D HA -0.186 4.455 4.640 0.001 0.000 0.199 121 D C 2.042 178.341 176.300 -0.002 0.000 0.978 121 D CA 1.056 55.056 54.000 0.000 0.000 0.829 121 D CB -0.282 40.519 40.800 0.001 0.000 0.981 121 D HN 0.278 nan 8.370 nan 0.000 0.464 122 K N 1.122 121.522 120.400 -0.000 0.000 2.001 122 K HA -0.218 4.102 4.320 0.001 0.000 0.214 122 K C 2.116 178.715 176.600 -0.002 0.000 1.050 122 K CA 1.693 57.980 56.287 -0.001 0.000 0.934 122 K CB -0.183 32.317 32.500 0.000 0.000 0.718 122 K HN 0.007 nan 8.250 nan 0.000 0.443 123 A N 0.596 123.416 122.820 -0.001 0.000 1.909 123 A HA -0.245 4.076 4.320 0.001 0.000 0.221 123 A C 2.314 179.895 177.584 -0.004 0.000 1.223 123 A CA 2.471 54.508 52.037 -0.001 0.000 0.658 123 A CB -1.118 17.883 19.000 0.001 0.000 0.831 123 A HN 0.246 nan 8.150 nan 0.000 0.462 124 V N -0.500 119.410 119.914 -0.006 0.000 2.358 124 V HA -0.203 3.918 4.120 0.001 0.000 0.246 124 V C 2.699 178.782 176.094 -0.018 0.000 1.047 124 V CA 2.387 64.680 62.300 -0.013 0.000 1.035 124 V CB -1.196 30.617 31.823 -0.017 0.000 0.658 124 V HN 0.671 nan 8.190 nan 0.000 0.452 125 T N 0.384 114.929 114.554 -0.015 0.000 2.849 125 T HA -0.158 4.193 4.350 0.001 0.000 0.270 125 T C 1.932 176.624 174.700 -0.013 0.000 1.066 125 T CA 1.490 63.580 62.100 -0.017 0.000 1.130 125 T CB -0.307 68.553 68.868 -0.012 0.000 0.864 125 T HN 0.573 nan 8.240 nan 0.000 0.481 126 A N 1.223 124.038 122.820 -0.009 0.000 1.903 126 A HA 0.436 4.757 4.320 0.001 0.000 0.213 126 A C 2.646 180.226 177.584 -0.007 0.000 1.185 126 A CA 1.241 53.274 52.037 -0.006 0.000 0.628 126 A CB -0.988 18.010 19.000 -0.003 0.000 0.830 126 A HN 0.474 nan 8.150 nan 0.000 0.446 127 A N -0.403 122.412 122.820 -0.008 0.000 1.933 127 A HA 0.022 4.342 4.320 0.001 0.000 0.218 127 A C 2.182 179.759 177.584 -0.011 0.000 1.175 127 A CA 1.709 53.742 52.037 -0.007 0.000 0.628 127 A CB -0.840 18.157 19.000 -0.006 0.000 0.814 127 A HN 0.345 nan 8.150 nan 0.000 0.444 128 V N -0.031 119.872 119.914 -0.018 0.000 2.343 128 V HA -0.218 3.903 4.120 0.001 0.000 0.247 128 V C 2.629 178.714 176.094 -0.015 0.000 1.051 128 V CA 2.255 64.541 62.300 -0.022 0.000 1.036 128 V CB -0.711 31.092 31.823 -0.034 0.000 0.654 128 V HN 0.477 nan 8.190 nan 0.000 0.451 129 E N 0.031 120.224 120.200 -0.012 0.000 2.038 129 E HA -0.196 4.155 4.350 0.001 0.000 0.195 129 E C 2.305 178.903 176.600 -0.004 0.000 1.000 129 E CA 1.192 57.588 56.400 -0.007 0.000 0.803 129 E CB -0.440 29.257 29.700 -0.006 0.000 0.750 129 E HN 0.498 nan 8.360 nan 0.000 0.448 130 E N 0.392 120.590 120.200 -0.003 0.000 2.048 130 E HA -0.207 4.144 4.350 0.001 0.000 0.202 130 E C 2.394 178.995 176.600 0.002 0.000 1.021 130 E CA 0.917 57.317 56.400 0.001 0.000 0.825 130 E CB -0.572 29.129 29.700 0.002 0.000 0.756 130 E HN 0.281 nan 8.360 nan 0.000 0.454 131 L N 0.656 121.879 121.223 0.000 0.000 1.990 131 L HA -0.250 4.091 4.340 0.001 0.000 0.213 131 L C 2.455 179.326 176.870 0.001 0.000 1.072 131 L CA 1.676 56.517 54.840 0.001 0.000 0.755 131 L CB -0.473 41.584 42.059 -0.003 0.000 0.889 131 L HN 0.094 nan 8.230 nan 0.000 0.432 132 K N -0.201 120.198 120.400 -0.002 0.000 2.360 132 K HA -0.103 4.217 4.320 0.001 0.000 0.201 132 K C 2.066 178.667 176.600 0.002 0.000 1.046 132 K CA 1.046 57.333 56.287 -0.001 0.000 0.945 132 K CB -0.183 32.315 32.500 -0.003 0.000 0.750 132 K HN 0.340 nan 8.250 nan 0.000 0.464 133 A N 0.629 123.451 122.820 0.003 0.000 1.970 133 A HA -0.032 4.288 4.320 0.001 0.000 0.216 133 A C 1.910 179.498 177.584 0.007 0.000 1.170 133 A CA 0.841 52.881 52.037 0.004 0.000 0.645 133 A CB -0.084 18.918 19.000 0.004 0.000 0.816 133 A HN 0.100 nan 8.150 nan 0.000 0.447 134 L N -0.506 120.722 121.223 0.009 0.000 2.270 134 L HA 0.152 4.493 4.340 0.001 0.000 0.210 134 L C 1.433 178.310 176.870 0.012 0.000 1.104 134 L CA 0.747 55.594 54.840 0.012 0.000 0.804 134 L CB -0.398 41.670 42.059 0.015 0.000 0.937 134 L HN 0.225 nan 8.230 nan 0.000 0.450 135 S N -0.306 115.400 115.700 0.010 0.000 2.563 135 S HA 0.217 4.688 4.470 0.001 0.000 0.294 135 S C -0.227 174.379 174.600 0.009 0.000 1.279 135 S CA -0.209 57.997 58.200 0.010 0.000 1.069 135 S CB -0.018 63.187 63.200 0.007 0.000 0.828 135 S HN 0.127 nan 8.310 nan 0.000 0.497 136 V N 3.946 123.866 119.914 0.010 0.000 2.769 136 V HA 0.735 4.855 4.120 0.001 0.000 0.312 136 V C -2.747 173.353 176.094 0.009 0.000 1.061 136 V CA -2.864 59.441 62.300 0.010 0.000 0.931 136 V CB 1.141 32.970 31.823 0.011 0.000 1.010 136 V HN 0.588 nan 8.190 nan 0.000 0.433 137 P HA 0.182 nan 4.420 nan 0.000 0.267 137 P C -0.580 176.725 177.300 0.008 0.000 1.200 137 P CA -0.028 63.076 63.100 0.007 0.000 0.772 137 P CB 0.392 32.095 31.700 0.006 0.000 0.855 138 C N 3.075 122.380 119.300 0.008 0.000 2.264 138 C HA 0.588 5.049 4.460 0.001 0.000 0.322 138 C C 1.090 176.084 174.990 0.006 0.000 1.210 138 C CA 0.525 59.547 59.018 0.008 0.000 1.539 138 C CB -0.971 26.774 27.740 0.009 0.000 2.167 138 C HN 0.687 nan 8.230 nan 0.000 0.463 139 S N 2.084 117.787 115.700 0.005 0.000 2.733 139 S HA 0.178 4.649 4.470 0.001 0.000 0.270 139 S C -0.262 174.339 174.600 0.003 0.000 1.062 139 S CA 0.085 58.287 58.200 0.004 0.000 1.256 139 S CB -0.375 62.827 63.200 0.003 0.000 1.187 139 S HN 0.853 nan 8.310 nan 0.000 0.666 140 D N 1.420 121.821 120.400 0.003 0.000 2.354 140 D HA 0.474 5.114 4.640 0.001 0.000 0.247 140 D C 0.900 177.201 176.300 0.002 0.000 1.138 140 D CA -0.417 53.585 54.000 0.002 0.000 0.958 140 D CB 0.795 41.597 40.800 0.003 0.000 1.144 140 D HN -0.060 nan 8.370 nan 0.000 0.458 141 S N -0.591 115.109 115.700 0.001 0.000 2.447 141 S HA -0.139 4.332 4.470 0.001 0.000 0.233 141 S C 1.508 176.108 174.600 0.001 0.000 1.006 141 S CA 0.907 59.108 58.200 0.000 0.000 0.957 141 S CB -0.327 62.873 63.200 -0.000 0.000 0.773 141 S HN 0.609 nan 8.310 nan 0.000 0.507 142 K N 1.300 121.701 120.400 0.001 0.000 2.031 142 K HA 0.017 4.338 4.320 0.001 0.000 0.205 142 K C 2.203 178.804 176.600 0.002 0.000 1.049 142 K CA 1.163 57.451 56.287 0.001 0.000 0.939 142 K CB -0.414 32.087 32.500 0.002 0.000 0.717 142 K HN 0.244 nan 8.250 nan 0.000 0.438 143 A N 1.936 124.758 122.820 0.003 0.000 1.845 143 A HA -0.151 4.170 4.320 0.001 0.000 0.215 143 A C 2.148 179.735 177.584 0.005 0.000 1.195 143 A CA 1.718 53.758 52.037 0.005 0.000 0.616 143 A CB -0.814 18.189 19.000 0.006 0.000 0.832 143 A HN 0.394 nan 8.150 nan 0.000 0.443 144 I N -0.156 120.417 120.570 0.005 0.000 2.147 144 I HA -0.422 3.748 4.170 0.001 0.000 0.245 144 I C 2.926 179.046 176.117 0.004 0.000 1.059 144 I CA 1.637 62.940 61.300 0.005 0.000 1.320 144 I CB -0.546 37.456 38.000 0.003 0.000 1.021 144 I HN 0.421 nan 8.210 nan 0.000 0.415 145 A N -0.220 122.602 122.820 0.003 0.000 1.972 145 A HA -0.246 4.074 4.320 0.001 0.000 0.219 145 A C 2.192 179.777 177.584 0.002 0.000 1.169 145 A CA 1.564 53.602 52.037 0.002 0.000 0.635 145 A CB -0.510 18.490 19.000 0.000 0.000 0.810 145 A HN 0.535 nan 8.150 nan 0.000 0.446 146 Q N -0.720 119.082 119.800 0.002 0.000 2.172 146 Q HA -0.060 4.280 4.340 0.001 0.000 0.200 146 Q C 2.219 178.221 176.000 0.005 0.000 0.964 146 Q CA 1.460 57.264 55.803 0.002 0.000 0.855 146 Q CB -0.316 28.423 28.738 0.001 0.000 0.918 146 Q HN 0.702 nan 8.270 nan 0.000 0.444 147 V N -1.143 118.776 119.914 0.008 0.000 2.323 147 V HA -0.026 4.095 4.120 0.001 0.000 0.244 147 V C 1.907 178.010 176.094 0.014 0.000 1.041 147 V CA 2.093 64.400 62.300 0.012 0.000 1.025 147 V CB -1.182 30.651 31.823 0.016 0.000 0.656 147 V HN 0.328 nan 8.190 nan 0.000 0.451 148 G N 0.383 109.190 108.800 0.013 0.000 2.631 148 G HA2 -0.358 3.602 3.960 0.001 0.000 0.219 148 G HA3 -0.358 3.602 3.960 0.001 0.000 0.219 148 G C 1.618 176.525 174.900 0.011 0.000 1.214 148 G CA 2.161 47.270 45.100 0.014 0.000 0.785 148 G HN 0.515 nan 8.290 nan 0.000 0.596 149 T N 0.849 115.407 114.554 0.006 0.000 2.699 149 T HA -0.170 4.181 4.350 0.001 0.000 0.268 149 T C 2.347 177.048 174.700 0.001 0.000 1.036 149 T CA 1.384 63.485 62.100 0.002 0.000 1.147 149 T CB -0.187 68.679 68.868 -0.002 0.000 0.862 149 T HN 0.173 nan 8.240 nan 0.000 0.446 150 I N 0.520 121.091 120.570 0.002 0.000 2.315 150 I HA -0.098 4.073 4.170 0.001 0.000 0.248 150 I C 2.613 178.733 176.117 0.005 0.000 1.117 150 I CA 0.904 62.204 61.300 0.000 0.000 1.404 150 I CB -0.281 37.719 38.000 0.000 0.000 1.071 150 I HN 0.130 nan 8.210 nan 0.000 0.419 151 S N 0.223 115.930 115.700 0.012 0.000 2.399 151 S HA -0.039 4.432 4.470 0.001 0.000 0.231 151 S C 1.720 176.330 174.600 0.016 0.000 1.022 151 S CA 1.010 59.221 58.200 0.018 0.000 0.983 151 S CB -0.316 62.901 63.200 0.029 0.000 0.803 151 S HN 0.455 nan 8.310 nan 0.000 0.480 152 A N 1.249 124.076 122.820 0.013 0.000 2.929 152 A HA 0.379 4.699 4.320 0.001 0.000 0.279 152 A C 0.614 178.201 177.584 0.005 0.000 1.418 152 A CA -0.064 51.980 52.037 0.011 0.000 1.035 152 A CB -1.334 17.673 19.000 0.011 0.000 1.047 152 A HN 0.751 nan 8.150 nan 0.000 0.609 153 N N 0.398 119.100 118.700 0.003 0.000 2.710 153 N HA -0.251 4.489 4.740 0.001 0.000 0.249 153 N C -0.183 175.323 175.510 -0.007 0.000 1.059 153 N CA 0.538 53.587 53.050 -0.002 0.000 0.720 153 N CB -0.673 37.813 38.487 -0.001 0.000 0.983 153 N HN 0.528 nan 8.380 nan 0.000 0.544 154 S N -0.828 114.868 115.700 -0.007 0.000 3.909 154 S HA -0.162 4.309 4.470 0.001 0.000 0.326 154 S C -0.756 173.839 174.600 -0.009 0.000 1.083 154 S CA 0.627 58.820 58.200 -0.012 0.000 0.939 154 S CB -0.828 62.361 63.200 -0.019 0.000 0.886 154 S HN 0.601 nan 8.310 nan 0.000 0.496 155 D N 1.313 121.710 120.400 -0.005 0.000 2.485 155 D HA 0.277 4.918 4.640 0.001 0.000 0.229 155 D C 1.179 177.478 176.300 -0.003 0.000 1.101 155 D CA -0.441 53.557 54.000 -0.003 0.000 0.906 155 D CB 0.493 41.293 40.800 -0.000 0.000 1.019 155 D HN 0.432 nan 8.370 nan 0.000 0.516 156 E N 0.651 120.848 120.200 -0.005 0.000 2.284 156 E HA -0.163 4.188 4.350 0.001 0.000 0.200 156 E C 1.142 177.741 176.600 -0.003 0.000 1.008 156 E CA 1.212 57.609 56.400 -0.005 0.000 0.829 156 E CB 0.306 30.002 29.700 -0.007 0.000 0.744 156 E HN 0.456 nan 8.360 nan 0.000 0.491 157 T N 0.176 114.729 114.554 -0.002 0.000 2.896 157 T HA -0.050 4.301 4.350 0.001 0.000 0.263 157 T C 2.159 176.859 174.700 0.000 0.000 1.050 157 T CA 0.647 62.746 62.100 -0.001 0.000 1.140 157 T CB -0.043 68.824 68.868 -0.001 0.000 0.877 157 T HN -0.011 nan 8.240 nan 0.000 0.457 158 V N 1.836 121.751 119.914 0.002 0.000 2.307 158 V HA -0.029 4.091 4.120 0.001 0.000 0.245 158 V C 2.952 179.048 176.094 0.004 0.000 1.045 158 V CA 1.843 64.145 62.300 0.004 0.000 1.024 158 V CB -1.546 30.281 31.823 0.007 0.000 0.651 158 V HN 0.560 nan 8.190 nan 0.000 0.449 159 G N -0.063 108.738 108.800 0.003 0.000 2.529 159 G HA2 -0.385 3.575 3.960 0.001 0.000 0.219 159 G HA3 -0.385 3.575 3.960 0.001 0.000 0.219 159 G C 1.667 176.567 174.900 0.001 0.000 1.177 159 G CA 1.439 46.541 45.100 0.003 0.000 0.773 159 G HN 0.467 nan 8.290 nan 0.000 0.573 160 K N -0.485 119.915 120.400 -0.000 0.000 2.097 160 K HA 0.021 4.341 4.320 0.001 0.000 0.205 160 K C 2.495 179.094 176.600 -0.001 0.000 1.050 160 K CA 0.885 57.171 56.287 -0.001 0.000 0.938 160 K CB -0.204 32.295 32.500 -0.001 0.000 0.718 160 K HN 0.278 nan 8.250 nan 0.000 0.442 161 L N 1.340 122.562 121.223 -0.001 0.000 2.072 161 L HA -0.041 4.300 4.340 0.001 0.000 0.205 161 L C 2.070 178.938 176.870 -0.003 0.000 1.079 161 L CA 1.177 56.016 54.840 -0.001 0.000 0.752 161 L CB -0.236 41.822 42.059 -0.001 0.000 0.906 161 L HN 0.165 nan 8.230 nan 0.000 0.436 162 I N -0.953 119.616 120.570 -0.002 0.000 2.127 162 I HA -0.349 3.821 4.170 0.001 0.000 0.241 162 I C 2.557 178.672 176.117 -0.004 0.000 1.075 162 I CA 1.342 62.640 61.300 -0.004 0.000 1.334 162 I CB -0.492 37.508 38.000 -0.001 0.000 1.040 162 I HN 0.285 nan 8.210 nan 0.000 0.405 163 A N 0.026 122.844 122.820 -0.002 0.000 1.883 163 A HA -0.274 4.046 4.320 0.001 0.000 0.217 163 A C 2.260 179.843 177.584 -0.003 0.000 1.186 163 A CA 1.896 53.932 52.037 -0.002 0.000 0.624 163 A CB -0.703 18.296 19.000 -0.001 0.000 0.822 163 A HN 0.447 nan 8.150 nan 0.000 0.444 164 E N -0.563 119.635 120.200 -0.003 0.000 2.058 164 E HA -0.191 4.160 4.350 0.001 0.000 0.194 164 E C 2.402 178.999 176.600 -0.005 0.000 0.997 164 E CA 1.113 57.511 56.400 -0.004 0.000 0.801 164 E CB -0.278 29.420 29.700 -0.003 0.000 0.746 164 E HN 0.611 nan 8.360 nan 0.000 0.450 165 A N 1.312 124.129 122.820 -0.006 0.000 1.858 165 A HA -0.199 4.122 4.320 0.001 0.000 0.216 165 A C 2.198 179.776 177.584 -0.009 0.000 1.190 165 A CA 1.481 53.513 52.037 -0.008 0.000 0.617 165 A CB -0.538 18.457 19.000 -0.010 0.000 0.827 165 A HN 0.172 nan 8.150 nan 0.000 0.443 166 M N -0.721 118.873 119.600 -0.009 0.000 2.143 166 M HA -0.241 4.239 4.480 0.001 0.000 0.258 166 M C 1.846 178.141 176.300 -0.007 0.000 1.071 166 M CA 2.246 57.540 55.300 -0.010 0.000 1.088 166 M CB -0.860 31.735 32.600 -0.008 0.000 1.360 166 M HN 0.529 nan 8.290 nan 0.000 0.404 167 D N 0.174 120.571 120.400 -0.006 0.000 2.117 167 D HA -0.113 4.528 4.640 0.001 0.000 0.198 167 D C 1.859 178.156 176.300 -0.005 0.000 0.982 167 D CA 1.453 55.451 54.000 -0.005 0.000 0.828 167 D CB 0.212 41.009 40.800 -0.004 0.000 0.967 167 D HN 0.232 nan 8.370 nan 0.000 0.464 168 K N -0.526 119.871 120.400 -0.005 0.000 2.067 168 K HA 0.015 4.336 4.320 0.001 0.000 0.203 168 K C 2.058 178.655 176.600 -0.005 0.000 1.048 168 K CA 0.979 57.263 56.287 -0.005 0.000 0.954 168 K CB 0.076 32.573 32.500 -0.005 0.000 0.737 168 K HN 0.124 nan 8.250 nan 0.000 0.444 169 V N -1.690 118.220 119.914 -0.007 0.000 3.141 169 V HA 0.169 4.290 4.120 0.001 0.000 0.265 169 V C 1.003 177.093 176.094 -0.008 0.000 1.126 169 V CA 0.719 63.015 62.300 -0.007 0.000 1.141 169 V CB -1.333 30.484 31.823 -0.009 0.000 0.743 169 V HN 0.437 nan 8.190 nan 0.000 0.492 170 G N 1.061 109.857 108.800 -0.007 0.000 2.542 170 G HA2 -0.266 3.694 3.960 0.001 0.000 0.235 170 G HA3 -0.266 3.694 3.960 0.001 0.000 0.235 170 G C 0.320 175.215 174.900 -0.009 0.000 1.286 170 G CA 0.317 45.413 45.100 -0.007 0.000 0.904 170 G HN 0.417 nan 8.290 nan 0.000 0.577 171 K N 0.725 121.120 120.400 -0.008 0.000 2.262 171 K HA 0.136 4.457 4.320 0.001 0.000 0.200 171 K C 1.343 177.936 176.600 -0.011 0.000 1.049 171 K CA 1.322 57.603 56.287 -0.009 0.000 0.979 171 K CB 0.215 32.711 32.500 -0.007 0.000 0.773 171 K HN 0.570 nan 8.250 nan 0.000 0.474 172 E N 1.104 121.297 120.200 -0.011 0.000 2.585 172 E HA 0.122 4.473 4.350 0.001 0.000 0.206 172 E C 0.098 176.689 176.600 -0.015 0.000 1.007 172 E CA -0.313 56.079 56.400 -0.013 0.000 1.028 172 E CB 1.136 30.829 29.700 -0.012 0.000 1.087 172 E HN 0.148 nan 8.360 nan 0.000 0.455 173 G N 0.957 109.748 108.800 -0.015 0.000 2.400 173 G HA2 0.436 4.396 3.960 0.001 0.000 0.333 173 G HA3 0.436 4.396 3.960 0.001 0.000 0.333 173 G C 0.120 175.008 174.900 -0.020 0.000 1.143 173 G CA -0.473 44.618 45.100 -0.015 0.000 0.914 173 G HN -0.005 nan 8.290 nan 0.000 0.480 174 V N 0.963 120.865 119.914 -0.019 0.000 2.785 174 V HA 0.540 4.661 4.120 0.001 0.000 0.300 174 V C 0.147 176.226 176.094 -0.025 0.000 1.062 174 V CA -0.578 61.707 62.300 -0.025 0.000 1.029 174 V CB 1.224 33.033 31.823 -0.023 0.000 1.024 174 V HN 0.565 nan 8.190 nan 0.000 0.477 175 I N 2.509 123.059 120.570 -0.035 0.000 2.499 175 I HA 0.555 4.725 4.170 0.001 0.000 0.288 175 I C -0.104 175.991 176.117 -0.036 0.000 1.048 175 I CA -0.190 61.091 61.300 -0.032 0.000 1.062 175 I CB 2.353 40.331 38.000 -0.036 0.000 1.238 175 I HN 0.834 nan 8.210 nan 0.000 0.426 176 T N 2.720 117.261 114.554 -0.021 0.000 2.908 176 T HA 0.677 5.027 4.350 0.001 0.000 0.290 176 T C -0.556 174.140 174.700 -0.006 0.000 1.034 176 T CA -0.891 61.200 62.100 -0.015 0.000 1.010 176 T CB 2.237 71.103 68.868 -0.004 0.000 1.068 176 T HN 0.388 nan 8.240 nan 0.000 0.481 177 V N 1.067 120.982 119.914 0.001 0.000 2.459 177 V HA 0.852 4.973 4.120 0.001 0.000 0.295 177 V C -0.838 175.265 176.094 0.014 0.000 1.029 177 V CA -0.597 61.708 62.300 0.009 0.000 0.874 177 V CB 0.987 32.818 31.823 0.014 0.000 0.985 177 V HN 1.177 nan 8.190 nan 0.000 0.438 178 E N 2.922 123.129 120.200 0.012 0.000 2.449 178 E HA 0.512 4.863 4.350 0.001 0.000 0.278 178 E C -1.663 174.944 176.600 0.011 0.000 0.992 178 E CA -1.111 55.297 56.400 0.013 0.000 0.807 178 E CB 1.272 30.978 29.700 0.010 0.000 1.350 178 E HN 0.548 nan 8.360 nan 0.000 0.462 179 D N 0.543 120.950 120.400 0.012 0.000 2.443 179 D HA 0.288 4.929 4.640 0.001 0.000 0.239 179 D C 0.128 176.433 176.300 0.007 0.000 1.136 179 D CA 0.541 54.548 54.000 0.010 0.000 0.879 179 D CB 0.978 41.784 40.800 0.011 0.000 1.195 179 D HN 0.561 nan 8.370 nan 0.000 0.443 180 G N -0.521 108.283 108.800 0.006 0.000 2.521 180 G HA2 0.407 4.367 3.960 0.001 0.000 0.323 180 G HA3 0.407 4.367 3.960 0.001 0.000 0.323 180 G C 0.943 175.845 174.900 0.003 0.000 1.211 180 G CA -0.330 44.772 45.100 0.004 0.000 0.979 180 G HN 0.420 nan 8.290 nan 0.000 0.490 181 T N -1.747 112.808 114.554 0.002 0.000 2.939 181 T HA 0.257 4.607 4.350 0.001 0.000 0.254 181 T C 1.467 176.168 174.700 0.002 0.000 1.041 181 T CA 0.949 63.050 62.100 0.002 0.000 1.142 181 T CB -0.179 68.689 68.868 0.000 0.000 0.874 181 T HN 0.724 nan 8.240 nan 0.000 0.452 182 G N 0.446 109.247 108.800 0.001 0.000 2.849 182 G HA2 0.575 4.536 3.960 0.001 0.000 0.174 182 G HA3 0.575 4.536 3.960 0.001 0.000 0.174 182 G C 0.428 175.329 174.900 0.002 0.000 1.370 182 G CA -0.613 44.488 45.100 0.001 0.000 1.040 182 G HN 0.265 nan 8.290 nan 0.000 0.582 183 L N -0.455 120.769 121.223 0.001 0.000 2.463 183 L HA 0.166 4.506 4.340 0.001 0.000 0.219 183 L C 0.406 177.276 176.870 0.001 0.000 1.088 183 L CA 0.527 55.368 54.840 0.001 0.000 0.849 183 L CB -0.178 41.881 42.059 0.001 0.000 1.012 183 L HN 0.412 nan 8.230 nan 0.000 0.468 184 Q N -0.034 119.767 119.800 0.001 0.000 2.235 184 Q HA 0.285 4.626 4.340 0.001 0.000 0.256 184 Q C -0.708 175.293 176.000 0.001 0.000 0.951 184 Q CA -0.608 55.195 55.803 0.001 0.000 0.890 184 Q CB 0.615 29.353 28.738 0.000 0.000 1.279 184 Q HN -0.040 nan 8.270 nan 0.000 0.444 185 D N 1.532 121.933 120.400 0.001 0.000 2.423 185 D HA 0.055 4.695 4.640 0.001 0.000 0.238 185 D C -0.417 175.883 176.300 0.001 0.000 1.142 185 D CA 0.344 54.345 54.000 0.002 0.000 0.884 185 D CB 0.798 41.599 40.800 0.002 0.000 1.199 185 D HN 0.630 nan 8.370 nan 0.000 0.438 186 E N 1.391 121.591 120.200 0.001 0.000 2.278 186 E HA 0.335 4.686 4.350 0.001 0.000 0.272 186 E C -1.766 174.834 176.600 -0.001 0.000 0.890 186 E CA -0.832 55.568 56.400 -0.000 0.000 0.770 186 E CB 1.477 31.177 29.700 -0.001 0.000 1.212 186 E HN 0.178 nan 8.360 nan 0.000 0.415 187 L N 4.364 125.586 121.223 -0.002 0.000 2.265 187 L HA 0.476 4.817 4.340 0.001 0.000 0.289 187 L C -1.282 175.586 176.870 -0.003 0.000 1.033 187 L CA -0.164 54.674 54.840 -0.003 0.000 0.814 187 L CB 1.095 43.153 42.059 -0.003 0.000 1.203 187 L HN 0.460 nan 8.230 nan 0.000 0.423 188 D N 4.000 124.398 120.400 -0.004 0.000 2.175 188 D HA 0.502 5.143 4.640 0.001 0.000 0.248 188 D C -0.895 175.402 176.300 -0.005 0.000 1.047 188 D CA 0.030 54.028 54.000 -0.004 0.000 0.883 188 D CB 2.341 43.138 40.800 -0.005 0.000 1.180 188 D HN 0.291 nan 8.370 nan 0.000 0.438 189 V N 2.536 122.447 119.914 -0.005 0.000 2.447 189 V HA 0.189 4.309 4.120 0.001 0.000 0.292 189 V C -0.148 175.943 176.094 -0.004 0.000 1.021 189 V CA -0.858 61.440 62.300 -0.004 0.000 0.850 189 V CB 1.886 33.706 31.823 -0.004 0.000 1.005 189 V HN 0.292 nan 8.190 nan 0.000 0.426 190 V N 3.838 123.750 119.914 -0.003 0.000 2.530 190 V HA 0.370 4.491 4.120 0.001 0.000 0.282 190 V C 0.352 176.446 176.094 -0.000 0.000 1.048 190 V CA -0.637 61.661 62.300 -0.003 0.000 0.997 190 V CB 1.112 32.934 31.823 -0.002 0.000 0.987 190 V HN 0.735 nan 8.190 nan 0.000 0.477 191 E N 3.501 123.700 120.200 -0.001 0.000 2.167 191 E HA 0.486 4.837 4.350 0.001 0.000 0.284 191 E C 0.868 177.471 176.600 0.005 0.000 1.016 191 E CA 0.923 57.323 56.400 0.000 0.000 0.817 191 E CB 1.298 30.997 29.700 -0.002 0.000 1.080 191 E HN 1.001 nan 8.360 nan 0.000 0.397 192 G N 3.680 112.484 108.800 0.007 0.000 2.550 192 G HA2 -0.337 3.624 3.960 0.001 0.000 0.277 192 G HA3 -0.337 3.624 3.960 0.001 0.000 0.277 192 G C 0.027 174.941 174.900 0.024 0.000 1.190 192 G CA 0.380 45.488 45.100 0.012 0.000 0.971 192 G HN 0.552 nan 8.290 nan 0.000 0.559 193 M N 1.230 120.852 119.600 0.036 0.000 2.180 193 M HA 0.710 5.190 4.480 0.001 0.000 0.350 193 M C -0.373 175.985 176.300 0.097 0.000 1.125 193 M CA -0.187 55.155 55.300 0.069 0.000 1.031 193 M CB 1.305 33.951 32.600 0.077 0.000 1.623 193 M HN 0.960 nan 8.290 nan 0.000 0.451 194 Q N 4.865 124.745 119.800 0.134 0.000 2.438 194 Q HA 0.495 4.836 4.340 0.001 0.000 0.272 194 Q C -2.214 173.901 176.000 0.192 0.000 0.994 194 Q CA -0.760 55.106 55.803 0.105 0.000 0.887 194 Q CB 1.604 30.340 28.738 -0.004 0.000 1.432 194 Q HN 0.813 nan 8.270 nan 0.000 0.392 195 F N -0.328 119.615 119.950 -0.012 0.000 2.706 195 F HA 0.600 5.127 4.527 0.001 0.000 0.328 195 F C -0.599 175.192 175.800 -0.015 0.000 1.123 195 F CA -1.221 56.773 58.000 -0.010 0.000 0.978 195 F CB 0.772 39.768 39.000 -0.006 0.000 1.404 195 F HN 0.421 nan 8.300 nan 0.000 0.497 196 D N 0.476 120.967 120.400 0.152 0.000 2.870 196 D HA 0.226 4.867 4.640 0.001 0.000 0.241 196 D C -0.570 175.727 176.300 -0.006 0.000 1.234 196 D CA 0.057 54.076 54.000 0.032 0.000 0.844 196 D CB -0.115 40.727 40.800 0.071 0.000 1.051 196 D HN 0.115 nan 8.370 nan 0.000 0.469 197 R N 0.535 120.960 120.500 -0.126 0.000 2.513 197 R HA 0.610 4.950 4.340 0.001 0.000 0.301 197 R C 0.319 176.493 176.300 -0.211 0.000 0.968 197 R CA -0.785 55.257 56.100 -0.098 0.000 0.872 197 R CB 1.673 32.016 30.300 0.071 0.000 1.177 197 R HN 0.158 nan 8.270 nan 0.000 0.444 198 G N 1.496 110.171 108.800 -0.207 0.000 2.488 198 G HA2 0.400 4.361 3.960 0.001 0.000 0.318 198 G HA3 0.400 4.361 3.960 0.001 0.000 0.318 198 G C -0.544 174.204 174.900 -0.253 0.000 1.188 198 G CA -0.549 44.325 45.100 -0.377 0.000 0.944 198 G HN 0.460 nan 8.290 nan 0.000 0.495 199 Y N -1.018 119.300 120.300 0.030 0.000 2.788 199 Y HA 0.148 4.699 4.550 0.001 0.000 0.341 199 Y C 1.220 177.218 175.900 0.163 0.000 1.258 199 Y CA -0.681 57.486 58.100 0.113 0.000 1.503 199 Y CB 0.304 38.889 38.460 0.209 0.000 1.325 199 Y HN 0.208 nan 8.280 nan 0.000 0.614 200 L N 1.536 123.045 121.223 0.476 0.000 2.446 200 L HA 0.081 4.421 4.340 0.001 0.000 0.219 200 L C 0.491 177.577 176.870 0.359 0.000 1.116 200 L CA 0.841 55.897 54.840 0.360 0.000 0.844 200 L CB -0.109 42.129 42.059 0.299 0.000 0.970 200 L HN 0.843 nan 8.230 nan 0.000 0.457 201 S N -2.530 113.428 115.700 0.431 0.000 2.575 201 S HA 0.406 4.876 4.470 0.001 0.000 0.278 201 S C -2.427 172.144 174.600 -0.047 0.000 1.139 201 S CA -1.231 57.056 58.200 0.145 0.000 0.954 201 S CB 1.843 65.035 63.200 -0.013 0.000 1.054 201 S HN -0.245 nan 8.310 nan 0.000 0.483 202 P HA 0.024 nan 4.420 nan 0.000 0.236 202 P C 0.158 177.102 177.300 -0.593 0.000 1.172 202 P CA 0.662 63.346 63.100 -0.694 0.000 0.759 202 P CB -0.318 31.120 31.700 -0.436 0.000 0.843 203 Y N -2.587 117.503 120.300 -0.350 0.000 2.395 203 Y HA -0.007 4.544 4.550 0.001 0.000 0.293 203 Y C 1.881 177.618 175.900 -0.271 0.000 1.123 203 Y CA 0.677 58.590 58.100 -0.311 0.000 1.227 203 Y CB -1.055 37.202 38.460 -0.339 0.000 1.012 203 Y HN -0.098 nan 8.280 nan 0.000 0.552 204 F N 0.303 120.236 119.950 -0.029 0.000 2.250 204 F HA -0.144 4.384 4.527 0.001 0.000 0.301 204 F C 1.001 176.759 175.800 -0.071 0.000 1.077 204 F CA 0.192 58.175 58.000 -0.028 0.000 1.348 204 F CB -1.005 37.992 39.000 -0.005 0.000 1.040 204 F HN -0.147 nan 8.300 nan 0.000 0.509 205 I N 2.557 123.119 120.570 -0.013 0.000 2.907 205 I HA -0.185 3.986 4.170 0.001 0.000 0.285 205 I C 0.929 177.047 176.117 0.001 0.000 1.189 205 I CA 0.291 61.558 61.300 -0.056 0.000 1.376 205 I CB -0.139 37.747 38.000 -0.190 0.000 1.420 205 I HN 0.199 nan 8.210 nan 0.000 0.544 206 N N 5.818 124.539 118.700 0.034 0.000 2.336 206 N HA -0.004 4.736 4.740 0.001 0.000 0.189 206 N C -0.058 175.463 175.510 0.018 0.000 1.113 206 N CA 0.213 53.282 53.050 0.031 0.000 0.858 206 N CB 0.392 38.905 38.487 0.044 0.000 0.970 206 N HN 0.429 nan 8.380 nan 0.000 0.471 207 K N 0.836 121.243 120.400 0.013 0.000 2.701 207 K HA 0.215 4.535 4.320 0.001 0.000 0.212 207 K C -2.245 174.357 176.600 0.004 0.000 1.035 207 K CA -1.482 54.811 56.287 0.010 0.000 1.048 207 K CB 2.443 34.953 32.500 0.015 0.000 1.234 207 K HN -0.009 nan 8.250 nan 0.000 0.540 208 P HA -0.157 nan 4.420 nan 0.000 0.222 208 P C 0.363 177.662 177.300 -0.002 0.000 1.147 208 P CA 1.186 64.279 63.100 -0.012 0.000 0.790 208 P CB 0.470 32.160 31.700 -0.018 0.000 0.780 209 E N -0.016 120.185 120.200 0.002 0.000 2.110 209 E HA -0.118 4.232 4.350 0.001 0.000 0.193 209 E C 1.874 178.479 176.600 0.009 0.000 0.988 209 E CA 1.772 58.174 56.400 0.004 0.000 0.804 209 E CB -1.528 28.175 29.700 0.004 0.000 0.745 209 E HN 0.272 nan 8.360 nan 0.000 0.458 210 T N -1.057 113.506 114.554 0.014 0.000 3.014 210 T HA 0.163 4.514 4.350 0.001 0.000 0.263 210 T C 1.478 176.198 174.700 0.033 0.000 1.078 210 T CA 0.676 62.789 62.100 0.021 0.000 1.135 210 T CB -0.052 68.830 68.868 0.023 0.000 0.895 210 T HN 0.427 nan 8.240 nan 0.000 0.480 211 G N 1.387 110.208 108.800 0.035 0.000 2.160 211 G HA2 0.060 4.021 3.960 0.001 0.000 0.244 211 G HA3 0.060 4.021 3.960 0.001 0.000 0.244 211 G C 0.034 175.007 174.900 0.122 0.000 1.022 211 G CA -0.016 45.118 45.100 0.056 0.000 0.741 211 G HN 0.976 nan 8.290 nan 0.000 0.508 212 A N -1.364 121.512 122.820 0.094 0.000 2.556 212 A HA 0.909 5.230 4.320 0.001 0.000 0.294 212 A C -0.264 177.376 177.584 0.093 0.000 1.091 212 A CA -0.162 51.959 52.037 0.140 0.000 0.704 212 A CB 1.950 21.006 19.000 0.093 0.000 1.300 212 A HN 1.287 nan 8.150 nan 0.000 0.406 213 V N 0.893 120.881 119.914 0.123 0.000 2.539 213 V HA 0.620 4.741 4.120 0.001 0.000 0.292 213 V C 0.118 176.240 176.094 0.047 0.000 1.045 213 V CA -0.329 62.022 62.300 0.084 0.000 0.945 213 V CB 1.395 33.286 31.823 0.115 0.000 0.993 213 V HN 0.912 nan 8.190 nan 0.000 0.464 214 E N 3.948 124.168 120.200 0.033 0.000 2.274 214 E HA 0.623 4.974 4.350 0.001 0.000 0.269 214 E C -1.949 174.660 176.600 0.015 0.000 0.891 214 E CA -0.552 55.858 56.400 0.018 0.000 0.784 214 E CB 1.657 31.366 29.700 0.015 0.000 1.225 214 E HN 0.665 nan 8.360 nan 0.000 0.412 215 L N 2.519 123.746 121.223 0.006 0.000 2.388 215 L HA 0.605 4.946 4.340 0.001 0.000 0.264 215 L C -0.595 176.271 176.870 -0.006 0.000 0.998 215 L CA -1.023 53.820 54.840 0.005 0.000 0.817 215 L CB 2.159 44.222 42.059 0.006 0.000 1.338 215 L HN 0.467 nan 8.230 nan 0.000 0.414 216 E N 0.364 120.559 120.200 -0.008 0.000 2.199 216 E HA 0.443 4.793 4.350 0.001 0.000 0.269 216 E C -0.416 176.161 176.600 -0.039 0.000 0.899 216 E CA -0.858 55.529 56.400 -0.021 0.000 0.772 216 E CB 1.833 31.524 29.700 -0.015 0.000 1.155 216 E HN 0.604 nan 8.360 nan 0.000 0.408 217 S N 1.097 116.758 115.700 -0.064 0.000 3.581 217 S HA -0.122 4.348 4.470 0.001 0.000 0.354 217 S C -2.254 172.241 174.600 -0.174 0.000 1.059 217 S CA 0.469 58.597 58.200 -0.119 0.000 1.060 217 S CB -1.521 61.612 63.200 -0.111 0.000 0.908 217 S HN 0.479 nan 8.310 nan 0.000 0.475 218 P HA 0.481 nan 4.420 nan 0.000 0.284 218 P C 0.136 177.353 177.300 -0.137 0.000 1.253 218 P CA -0.579 62.477 63.100 -0.075 0.000 0.800 218 P CB 0.402 32.097 31.700 -0.009 0.000 0.961 219 F N 1.631 121.583 119.950 0.003 0.000 2.450 219 F HA 0.278 4.805 4.527 0.001 0.000 0.339 219 F C 1.088 176.890 175.800 0.002 0.000 1.146 219 F CA 0.318 58.321 58.000 0.003 0.000 1.267 219 F CB 0.245 39.247 39.000 0.003 0.000 1.178 219 F HN 0.089 nan 8.300 nan 0.000 0.585 220 I N 3.752 124.446 120.570 0.207 0.000 2.418 220 I HA 0.243 4.413 4.170 0.001 0.000 0.287 220 I C -1.234 174.944 176.117 0.102 0.000 1.008 220 I CA -0.846 60.525 61.300 0.117 0.000 1.104 220 I CB 1.745 39.790 38.000 0.076 0.000 1.264 220 I HN 0.254 nan 8.210 nan 0.000 0.438 221 L N 8.112 129.378 121.223 0.072 0.000 2.255 221 L HA 0.480 4.821 4.340 0.001 0.000 0.289 221 L C -0.842 176.050 176.870 0.036 0.000 1.046 221 L CA -0.081 54.787 54.840 0.047 0.000 0.816 221 L CB 0.615 42.693 42.059 0.032 0.000 1.197 221 L HN 0.455 nan 8.230 nan 0.000 0.427 222 L N 6.173 127.413 121.223 0.028 0.000 2.264 222 L HA 0.670 5.011 4.340 0.001 0.000 0.287 222 L C 0.020 176.896 176.870 0.010 0.000 1.039 222 L CA -0.516 54.333 54.840 0.014 0.000 0.829 222 L CB 1.137 43.199 42.059 0.005 0.000 1.211 222 L HN 0.769 nan 8.230 nan 0.000 0.427 223 A N 1.954 124.781 122.820 0.011 0.000 2.285 223 A HA 0.318 4.639 4.320 0.001 0.000 0.310 223 A C -0.351 177.238 177.584 0.008 0.000 1.266 223 A CA -0.537 51.507 52.037 0.011 0.000 0.832 223 A CB 0.707 19.718 19.000 0.017 0.000 1.163 223 A HN 0.695 nan 8.150 nan 0.000 0.499 224 D N 2.827 123.228 120.400 0.002 0.000 2.688 224 D HA 0.334 4.974 4.640 0.001 0.000 0.228 224 D C -0.037 176.268 176.300 0.008 0.000 1.116 224 D CA 0.379 54.379 54.000 0.000 0.000 1.023 224 D CB -0.613 40.182 40.800 -0.008 0.000 1.100 224 D HN 0.603 nan 8.370 nan 0.000 0.487 225 K N -0.330 120.079 120.400 0.015 0.000 2.740 225 K HA 0.188 4.508 4.320 0.001 0.000 0.279 225 K C -1.027 175.589 176.600 0.027 0.000 1.038 225 K CA -1.139 55.159 56.287 0.020 0.000 0.887 225 K CB 0.587 33.097 32.500 0.016 0.000 1.411 225 K HN -0.181 nan 8.250 nan 0.000 0.381 226 K N 1.764 122.182 120.400 0.030 0.000 2.469 226 K HA 0.163 4.484 4.320 0.001 0.000 0.274 226 K C -0.232 176.388 176.600 0.034 0.000 0.983 226 K CA 0.115 56.423 56.287 0.035 0.000 0.974 226 K CB 0.291 32.812 32.500 0.035 0.000 0.913 226 K HN 0.414 nan 8.250 nan 0.000 0.493 227 I N 2.291 122.884 120.570 0.040 0.000 2.437 227 I HA 0.031 4.201 4.170 0.001 0.000 0.279 227 I C 0.284 176.425 176.117 0.041 0.000 1.028 227 I CA -0.063 61.260 61.300 0.039 0.000 1.142 227 I CB 1.695 39.722 38.000 0.045 0.000 1.266 227 I HN 0.658 nan 8.210 nan 0.000 0.461 228 S N 3.478 119.198 115.700 0.033 0.000 2.591 228 S HA 0.191 4.661 4.470 0.001 0.000 0.235 228 S C 0.751 175.368 174.600 0.027 0.000 1.074 228 S CA 0.017 58.236 58.200 0.031 0.000 0.925 228 S CB 0.245 63.461 63.200 0.026 0.000 0.818 228 S HN 0.571 nan 8.310 nan 0.000 0.535 229 N N 2.028 120.742 118.700 0.023 0.000 2.434 229 N HA 0.268 5.009 4.740 0.001 0.000 0.272 229 N C 0.387 175.909 175.510 0.021 0.000 1.040 229 N CA -0.074 52.987 53.050 0.019 0.000 0.956 229 N CB 1.444 39.939 38.487 0.014 0.000 1.108 229 N HN 0.145 nan 8.380 nan 0.000 0.481 230 I N 3.231 123.812 120.570 0.020 0.000 2.546 230 I HA -0.178 3.992 4.170 0.001 0.000 0.255 230 I C 1.821 177.946 176.117 0.014 0.000 1.163 230 I CA 0.756 62.068 61.300 0.020 0.000 1.457 230 I CB 0.176 38.188 38.000 0.020 0.000 1.092 230 I HN 0.458 nan 8.210 nan 0.000 0.434 231 R N 0.938 121.444 120.500 0.010 0.000 2.119 231 R HA -0.243 4.098 4.340 0.001 0.000 0.246 231 R C 1.730 178.033 176.300 0.006 0.000 1.146 231 R CA 1.909 58.013 56.100 0.006 0.000 0.962 231 R CB -0.851 29.453 30.300 0.005 0.000 0.863 231 R HN 0.499 nan 8.270 nan 0.000 0.442 232 E N 0.232 120.437 120.200 0.008 0.000 2.333 232 E HA -0.133 4.218 4.350 0.001 0.000 0.198 232 E C 1.855 178.458 176.600 0.005 0.000 1.007 232 E CA 0.860 57.264 56.400 0.007 0.000 0.845 232 E CB -0.003 29.703 29.700 0.011 0.000 0.766 232 E HN 0.340 nan 8.360 nan 0.000 0.507 233 M N -0.168 119.437 119.600 0.008 0.000 2.429 233 M HA 0.053 4.533 4.480 0.001 0.000 0.265 233 M C 2.273 178.572 176.300 -0.002 0.000 1.120 233 M CA 0.621 55.925 55.300 0.006 0.000 1.173 233 M CB -0.626 31.984 32.600 0.017 0.000 1.343 233 M HN 0.120 nan 8.290 nan 0.000 0.464 234 L N 1.039 122.262 121.223 -0.000 0.000 2.010 234 L HA -0.254 4.086 4.340 0.001 0.000 0.219 234 L C -0.392 176.470 176.870 -0.013 0.000 1.077 234 L CA 2.083 56.921 54.840 -0.004 0.000 0.773 234 L CB -2.416 39.642 42.059 -0.003 0.000 0.892 234 L HN 0.168 nan 8.230 nan 0.000 0.436 235 P HA -0.157 nan 4.420 nan 0.000 0.217 235 P C 1.727 179.005 177.300 -0.036 0.000 1.148 235 P CA 1.559 64.645 63.100 -0.023 0.000 0.828 235 P CB 0.024 31.712 31.700 -0.020 0.000 0.783 236 V N 0.127 120.019 119.914 -0.037 0.000 2.341 236 V HA -0.118 4.002 4.120 0.001 0.000 0.240 236 V C 2.786 178.842 176.094 -0.063 0.000 1.035 236 V CA 1.023 63.288 62.300 -0.057 0.000 1.033 236 V CB -1.337 30.458 31.823 -0.046 0.000 0.678 236 V HN -0.049 nan 8.190 nan 0.000 0.464 237 L N 0.249 121.451 121.223 -0.035 0.000 2.211 237 L HA -0.267 4.074 4.340 0.001 0.000 0.216 237 L C 2.475 179.328 176.870 -0.029 0.000 1.092 237 L CA 1.804 56.630 54.840 -0.022 0.000 0.767 237 L CB -0.627 41.432 42.059 0.000 0.000 0.894 237 L HN 0.512 nan 8.230 nan 0.000 0.437 238 E N -0.420 119.759 120.200 -0.034 0.000 2.216 238 E HA -0.007 4.344 4.350 0.001 0.000 0.192 238 E C 2.326 178.899 176.600 -0.047 0.000 0.973 238 E CA 0.727 57.109 56.400 -0.030 0.000 0.851 238 E CB -0.018 29.669 29.700 -0.022 0.000 0.804 238 E HN 0.457 nan 8.360 nan 0.000 0.477 239 A N 1.442 124.220 122.820 -0.071 0.000 1.972 239 A HA -0.123 4.197 4.320 0.001 0.000 0.219 239 A C 2.445 179.942 177.584 -0.144 0.000 1.169 239 A CA 1.078 53.054 52.037 -0.102 0.000 0.635 239 A CB -0.484 18.441 19.000 -0.124 0.000 0.810 239 A HN 0.102 nan 8.150 nan 0.000 0.446 240 V N -0.517 119.305 119.914 -0.153 0.000 2.488 240 V HA -0.114 4.007 4.120 0.001 0.000 0.246 240 V C 2.920 178.995 176.094 -0.032 0.000 1.046 240 V CA 1.478 63.687 62.300 -0.152 0.000 1.053 240 V CB -1.228 30.521 31.823 -0.123 0.000 0.679 240 V HN 0.555 nan 8.190 nan 0.000 0.458 241 A N -0.441 122.368 122.820 -0.019 0.000 2.019 241 A HA -0.198 4.123 4.320 0.001 0.000 0.219 241 A C 2.338 179.927 177.584 0.009 0.000 1.164 241 A CA 1.704 53.744 52.037 0.006 0.000 0.644 241 A CB -0.376 18.626 19.000 0.003 0.000 0.805 241 A HN 0.480 nan 8.150 nan 0.000 0.449 242 K N -0.801 119.595 120.400 -0.006 0.000 2.167 242 K HA 0.089 4.410 4.320 0.001 0.000 0.203 242 K C 2.007 178.618 176.600 0.018 0.000 1.052 242 K CA 0.861 57.148 56.287 0.001 0.000 0.956 242 K CB -0.117 32.375 32.500 -0.013 0.000 0.735 242 K HN 0.424 nan 8.250 nan 0.000 0.451 243 A N 0.222 123.057 122.820 0.026 0.000 2.169 243 A HA 0.125 4.446 4.320 0.001 0.000 0.212 243 A C 1.295 178.945 177.584 0.110 0.000 1.153 243 A CA 0.975 53.062 52.037 0.084 0.000 0.756 243 A CB -0.272 18.811 19.000 0.139 0.000 0.813 243 A HN 0.414 nan 8.150 nan 0.000 0.471 244 G N -0.649 108.201 108.800 0.085 0.000 2.179 244 G HA2 -0.276 3.684 3.960 0.001 0.000 0.257 244 G HA3 -0.276 3.684 3.960 0.001 0.000 0.257 244 G C 0.125 175.083 174.900 0.097 0.000 1.010 244 G CA 0.843 45.988 45.100 0.076 0.000 0.736 244 G HN 0.600 nan 8.290 nan 0.000 0.513 245 K N 0.683 121.177 120.400 0.157 0.000 2.208 245 K HA 0.562 4.882 4.320 0.001 0.000 0.247 245 K C -2.061 174.640 176.600 0.168 0.000 0.953 245 K CA -2.020 54.366 56.287 0.166 0.000 0.837 245 K CB 2.222 34.859 32.500 0.228 0.000 1.131 245 K HN 0.047 nan 8.250 nan 0.000 0.431 246 P HA 0.144 nan 4.420 nan 0.000 0.275 246 P C -1.241 176.139 177.300 0.134 0.000 1.266 246 P CA -0.505 62.654 63.100 0.098 0.000 0.793 246 P CB 0.625 32.359 31.700 0.055 0.000 1.074 247 L N 0.566 121.845 121.223 0.094 0.000 2.464 247 L HA 0.514 4.854 4.340 0.001 0.000 0.266 247 L C -1.556 175.332 176.870 0.030 0.000 0.965 247 L CA -0.975 53.926 54.840 0.101 0.000 0.833 247 L CB 1.722 43.840 42.059 0.098 0.000 1.296 247 L HN 0.139 nan 8.230 nan 0.000 0.405 248 L N 5.626 126.871 121.223 0.035 0.000 2.307 248 L HA 0.654 4.994 4.340 0.001 0.000 0.282 248 L C -1.066 175.808 176.870 0.007 0.000 1.051 248 L CA -0.175 54.661 54.840 -0.007 0.000 0.804 248 L CB 1.308 43.375 42.059 0.013 0.000 1.197 248 L HN 0.476 nan 8.230 nan 0.000 0.431 249 I N 7.000 127.554 120.570 -0.028 0.000 2.390 249 I HA 0.310 4.481 4.170 0.001 0.000 0.283 249 I C -0.464 175.669 176.117 0.026 0.000 1.016 249 I CA -0.238 61.063 61.300 0.002 0.000 1.151 249 I CB 1.001 38.998 38.000 -0.006 0.000 1.293 249 I HN 0.527 nan 8.210 nan 0.000 0.458 250 I N 5.737 126.337 120.570 0.050 0.000 2.371 250 I HA 0.539 4.710 4.170 0.001 0.000 0.282 250 I C 0.490 176.633 176.117 0.043 0.000 1.031 250 I CA -0.060 61.283 61.300 0.072 0.000 1.180 250 I CB 1.278 39.336 38.000 0.096 0.000 1.336 250 I HN 0.638 nan 8.210 nan 0.000 0.467 251 A N 4.287 127.136 122.820 0.049 0.000 2.344 251 A HA 0.457 4.778 4.320 0.001 0.000 0.307 251 A C 1.031 178.641 177.584 0.043 0.000 1.151 251 A CA -0.523 51.537 52.037 0.038 0.000 0.842 251 A CB 0.997 20.021 19.000 0.041 0.000 1.350 251 A HN 0.716 nan 8.150 nan 0.000 0.459 252 E N -0.790 119.432 120.200 0.037 0.000 2.160 252 E HA -0.136 4.215 4.350 0.001 0.000 0.195 252 E C -0.346 176.288 176.600 0.056 0.000 0.991 252 E CA 1.653 58.079 56.400 0.044 0.000 0.810 252 E CB 0.127 29.850 29.700 0.038 0.000 0.742 252 E HN 0.628 nan 8.360 nan 0.000 0.466 253 D N -2.315 118.119 120.400 0.057 0.000 2.783 253 D HA 0.113 4.753 4.640 0.001 0.000 0.253 253 D C -1.995 174.347 176.300 0.068 0.000 1.206 253 D CA -0.512 53.527 54.000 0.065 0.000 0.740 253 D CB 1.587 42.423 40.800 0.060 0.000 1.313 253 D HN -0.137 nan 8.370 nan 0.000 0.427 254 V N 2.605 122.570 119.914 0.084 0.000 2.380 254 V HA 0.442 4.562 4.120 0.001 0.000 0.286 254 V C 0.267 176.417 176.094 0.094 0.000 1.015 254 V CA -0.598 61.758 62.300 0.093 0.000 0.834 254 V CB 1.290 33.186 31.823 0.122 0.000 1.009 254 V HN 0.453 nan 8.190 nan 0.000 0.428 255 E N 2.513 122.756 120.200 0.073 0.000 2.790 255 E HA 0.463 4.814 4.350 0.001 0.000 0.256 255 E C 1.444 178.079 176.600 0.059 0.000 1.246 255 E CA -0.043 56.394 56.400 0.061 0.000 1.041 255 E CB 0.717 30.445 29.700 0.046 0.000 1.272 255 E HN 0.625 nan 8.360 nan 0.000 0.603 256 G N 0.770 109.597 108.800 0.046 0.000 2.863 256 G HA2 -0.374 3.587 3.960 0.001 0.000 0.217 256 G HA3 -0.374 3.587 3.960 0.001 0.000 0.217 256 G C 1.256 176.175 174.900 0.031 0.000 1.315 256 G CA 1.091 46.213 45.100 0.036 0.000 0.796 256 G HN 0.535 nan 8.290 nan 0.000 0.669 257 E N 0.802 121.017 120.200 0.026 0.000 2.048 257 E HA -0.228 4.122 4.350 0.001 0.000 0.202 257 E C 2.971 179.586 176.600 0.025 0.000 1.021 257 E CA 1.668 58.080 56.400 0.020 0.000 0.825 257 E CB -0.658 29.052 29.700 0.018 0.000 0.756 257 E HN 0.307 nan 8.360 nan 0.000 0.454 258 A N 1.183 124.024 122.820 0.036 0.000 1.835 258 A HA -0.202 4.119 4.320 0.001 0.000 0.215 258 A C 2.305 179.927 177.584 0.063 0.000 1.199 258 A CA 1.713 53.778 52.037 0.047 0.000 0.615 258 A CB -1.040 17.992 19.000 0.053 0.000 0.838 258 A HN 0.325 nan 8.150 nan 0.000 0.444 259 L N -0.115 121.156 121.223 0.081 0.000 1.963 259 L HA -0.222 4.119 4.340 0.001 0.000 0.220 259 L C 2.781 179.682 176.870 0.052 0.000 1.076 259 L CA 2.661 57.567 54.840 0.110 0.000 0.772 259 L CB -1.230 40.901 42.059 0.118 0.000 0.892 259 L HN 0.466 nan 8.230 nan 0.000 0.435 260 A N -1.683 121.147 122.820 0.017 0.000 1.894 260 A HA -0.379 3.942 4.320 0.001 0.000 0.220 260 A C 2.295 179.852 177.584 -0.044 0.000 1.237 260 A CA 3.325 55.344 52.037 -0.030 0.000 0.660 260 A CB -1.597 17.389 19.000 -0.022 0.000 0.835 260 A HN 0.596 nan 8.150 nan 0.000 0.461 261 T N 0.106 114.653 114.554 -0.012 0.000 2.720 261 T HA -0.113 4.237 4.350 0.001 0.000 0.268 261 T C 1.828 176.531 174.700 0.006 0.000 1.037 261 T CA 1.427 63.522 62.100 -0.009 0.000 1.144 261 T CB -0.402 68.469 68.868 0.005 0.000 0.864 261 T HN 0.361 nan 8.240 nan 0.000 0.444 262 L N 0.704 121.957 121.223 0.050 0.000 2.012 262 L HA -0.142 4.198 4.340 0.001 0.000 0.210 262 L C 2.647 179.557 176.870 0.066 0.000 1.073 262 L CA 1.157 56.066 54.840 0.115 0.000 0.748 262 L CB -0.597 41.605 42.059 0.238 0.000 0.891 262 L HN 0.173 nan 8.230 nan 0.000 0.431 263 V N -0.723 119.150 119.914 -0.067 0.000 2.287 263 V HA -0.269 3.852 4.120 0.001 0.000 0.248 263 V C 2.379 178.351 176.094 -0.204 0.000 1.053 263 V CA 1.711 63.849 62.300 -0.271 0.000 1.027 263 V CB -0.403 31.217 31.823 -0.338 0.000 0.646 263 V HN 0.254 nan 8.190 nan 0.000 0.447 264 V N 0.626 120.451 119.914 -0.148 0.000 2.490 264 V HA -0.258 3.862 4.120 0.001 0.000 0.250 264 V C 1.986 178.040 176.094 -0.067 0.000 1.061 264 V CA 2.309 64.535 62.300 -0.123 0.000 1.064 264 V CB -1.120 30.647 31.823 -0.094 0.000 0.670 264 V HN 0.646 nan 8.190 nan 0.000 0.461 265 N N 0.503 119.188 118.700 -0.026 0.000 2.250 265 N HA -0.129 4.611 4.740 0.001 0.000 0.181 265 N C 1.997 177.522 175.510 0.025 0.000 1.017 265 N CA 1.578 54.632 53.050 0.006 0.000 0.866 265 N CB -0.171 38.334 38.487 0.030 0.000 0.985 265 N HN 0.667 nan 8.380 nan 0.000 0.429 266 T N -0.381 114.203 114.554 0.049 0.000 2.812 266 T HA -0.071 4.280 4.350 0.001 0.000 0.264 266 T C 1.941 176.662 174.700 0.035 0.000 1.042 266 T CA 0.585 62.735 62.100 0.084 0.000 1.140 266 T CB -0.227 68.760 68.868 0.199 0.000 0.870 266 T HN -0.029 nan 8.240 nan 0.000 0.445 267 M N 1.523 121.110 119.600 -0.021 0.000 2.082 267 M HA -0.010 4.470 4.480 0.001 0.000 0.258 267 M C 2.317 178.603 176.300 -0.023 0.000 1.071 267 M CA 1.683 56.957 55.300 -0.044 0.000 1.103 267 M CB -0.410 32.121 32.600 -0.114 0.000 1.307 267 M HN 0.054 nan 8.290 nan 0.000 0.409 268 R N -0.300 120.185 120.500 -0.025 0.000 2.369 268 R HA 0.071 4.411 4.340 0.001 0.000 0.200 268 R C 0.773 177.072 176.300 -0.002 0.000 1.046 268 R CA 0.637 56.727 56.100 -0.017 0.000 1.057 268 R CB -0.732 29.555 30.300 -0.021 0.000 0.888 268 R HN 0.760 nan 8.270 nan 0.000 0.474 269 G N 0.917 109.722 108.800 0.009 0.000 2.176 269 G HA2 -0.272 3.688 3.960 0.001 0.000 0.252 269 G HA3 -0.272 3.688 3.960 0.001 0.000 0.252 269 G C 0.620 175.531 174.900 0.020 0.000 1.024 269 G CA 0.256 45.366 45.100 0.018 0.000 0.755 269 G HN 0.322 nan 8.290 nan 0.000 0.507 270 I N -1.111 119.471 120.570 0.020 0.000 2.185 270 I HA 0.099 4.270 4.170 0.001 0.000 0.235 270 I C 1.045 177.180 176.117 0.030 0.000 1.069 270 I CA 1.259 62.571 61.300 0.020 0.000 1.354 270 I CB -0.152 37.858 38.000 0.017 0.000 1.093 270 I HN 0.080 nan 8.210 nan 0.000 0.411 271 V N 0.704 120.643 119.914 0.041 0.000 2.686 271 V HA 0.265 4.385 4.120 0.001 0.000 0.306 271 V C -0.647 175.489 176.094 0.070 0.000 1.065 271 V CA -1.061 61.270 62.300 0.051 0.000 0.894 271 V CB 1.720 33.571 31.823 0.046 0.000 1.004 271 V HN 0.095 nan 8.190 nan 0.000 0.424 272 K N 2.909 123.351 120.400 0.070 0.000 2.363 272 K HA 0.559 4.879 4.320 0.001 0.000 0.289 272 K C -0.694 175.955 176.600 0.081 0.000 1.063 272 K CA 0.304 56.639 56.287 0.080 0.000 0.967 272 K CB 0.600 33.139 32.500 0.065 0.000 0.987 272 K HN 0.532 nan 8.250 nan 0.000 0.473 273 V N 1.354 121.332 119.914 0.107 0.000 3.114 273 V HA 0.862 4.983 4.120 0.001 0.000 0.308 273 V C -0.939 175.101 176.094 -0.090 0.000 1.168 273 V CA -1.130 61.199 62.300 0.049 0.000 1.015 273 V CB 2.153 34.029 31.823 0.089 0.000 1.050 273 V HN 0.744 nan 8.190 nan 0.000 0.433 274 A N 1.493 124.063 122.820 -0.416 0.000 2.587 274 A HA 1.059 5.380 4.320 0.001 0.000 0.293 274 A C -0.885 176.200 177.584 -0.831 0.000 1.087 274 A CA -0.150 51.235 52.037 -1.087 0.000 0.692 274 A CB 2.056 20.755 19.000 -0.502 0.000 1.291 274 A HN 2.029 nan 8.150 nan 0.000 0.407 275 A N 0.068 122.310 122.820 -0.965 0.000 2.549 275 A HA 0.858 5.179 4.320 0.001 0.000 0.297 275 A C -0.926 176.618 177.584 -0.066 0.000 1.061 275 A CA -0.067 51.796 52.037 -0.291 0.000 0.690 275 A CB 1.485 20.434 19.000 -0.084 0.000 1.287 275 A HN 2.313 nan 8.150 nan 0.000 0.402 276 V N -0.850 119.076 119.914 0.020 0.000 2.924 276 V HA 0.524 4.644 4.120 0.001 0.000 0.300 276 V C -0.476 175.690 176.094 0.119 0.000 1.227 276 V CA -1.263 61.078 62.300 0.068 0.000 0.954 276 V CB 1.088 32.933 31.823 0.037 0.000 1.055 276 V HN 0.941 nan 8.190 nan 0.000 0.429 277 K N 1.900 122.373 120.400 0.121 0.000 2.344 277 K HA 0.568 4.889 4.320 0.001 0.000 0.260 277 K C 0.667 177.373 176.600 0.177 0.000 0.988 277 K CA 0.520 56.883 56.287 0.126 0.000 0.909 277 K CB 0.615 33.177 32.500 0.104 0.000 0.968 277 K HN 1.154 nan 8.250 nan 0.000 0.505 278 A N 2.875 125.760 122.820 0.109 0.000 2.366 278 A HA 0.273 4.593 4.320 0.001 0.000 0.249 278 A C -2.165 175.448 177.584 0.047 0.000 1.084 278 A CA -1.208 50.855 52.037 0.042 0.000 0.794 278 A CB -0.226 18.776 19.000 0.003 0.000 1.034 278 A HN 0.449 nan 8.150 nan 0.000 0.491 279 P HA 0.402 nan 4.420 nan 0.000 0.280 279 P C 0.666 177.975 177.300 0.015 0.000 1.244 279 P CA 1.403 64.476 63.100 -0.045 0.000 0.784 279 P CB 0.668 32.176 31.700 -0.320 0.000 0.913 280 G N 2.819 111.681 108.800 0.102 0.000 2.692 280 G HA2 -0.125 3.835 3.960 0.001 0.000 0.248 280 G HA3 -0.125 3.835 3.960 0.001 0.000 0.248 280 G C -0.571 174.485 174.900 0.260 0.000 1.340 280 G CA 0.192 45.398 45.100 0.176 0.000 0.896 280 G HN 0.684 nan 8.290 nan 0.000 0.570 281 F N -2.252 117.709 119.950 0.018 0.000 2.876 281 F HA 0.861 5.388 4.527 0.001 0.000 0.358 281 F C 1.336 177.146 175.800 0.016 0.000 1.209 281 F CA 0.229 58.239 58.000 0.017 0.000 1.051 281 F CB 0.543 39.556 39.000 0.022 0.000 1.474 281 F HN 2.394 nan 8.300 nan 0.000 0.521 282 G N 0.821 109.455 108.800 -0.276 0.000 2.611 282 G HA2 -0.311 3.649 3.960 0.001 0.000 0.301 282 G HA3 -0.311 3.649 3.960 0.001 0.000 0.301 282 G C 0.446 175.219 174.900 -0.212 0.000 1.233 282 G CA 0.772 45.649 45.100 -0.371 0.000 0.993 282 G HN 0.857 nan 8.290 nan 0.000 0.553 283 D N 0.971 121.239 120.400 -0.220 0.000 2.216 283 D HA -0.019 4.622 4.640 0.001 0.000 0.208 283 D C 2.630 178.862 176.300 -0.113 0.000 0.960 283 D CA 1.196 55.119 54.000 -0.129 0.000 0.861 283 D CB -0.035 40.702 40.800 -0.105 0.000 0.985 283 D HN 0.623 nan 8.370 nan 0.000 0.493 284 R N 1.440 121.858 120.500 -0.138 0.000 2.120 284 R HA -0.050 4.291 4.340 0.001 0.000 0.234 284 R C 2.296 178.540 176.300 -0.093 0.000 1.123 284 R CA 0.623 56.658 56.100 -0.108 0.000 0.975 284 R CB -0.489 29.744 30.300 -0.111 0.000 0.866 284 R HN 0.054 nan 8.270 nan 0.000 0.446 285 R N 2.070 122.518 120.500 -0.088 0.000 2.115 285 R HA -0.220 4.121 4.340 0.001 0.000 0.239 285 R C 1.734 177.992 176.300 -0.071 0.000 1.133 285 R CA 2.380 58.442 56.100 -0.064 0.000 0.935 285 R CB -0.160 30.123 30.300 -0.028 0.000 0.853 285 R HN 0.286 nan 8.270 nan 0.000 0.433 286 K N -0.214 120.150 120.400 -0.059 0.000 2.063 286 K HA -0.118 4.202 4.320 0.001 0.000 0.208 286 K C 2.203 178.769 176.600 -0.057 0.000 1.048 286 K CA 1.495 57.752 56.287 -0.051 0.000 0.928 286 K CB -0.223 32.253 32.500 -0.041 0.000 0.713 286 K HN 0.309 nan 8.250 nan 0.000 0.442 287 A N 1.360 124.142 122.820 -0.062 0.000 1.898 287 A HA -0.126 4.194 4.320 0.001 0.000 0.216 287 A C 2.138 179.678 177.584 -0.073 0.000 1.181 287 A CA 1.346 53.346 52.037 -0.061 0.000 0.620 287 A CB -0.394 18.569 19.000 -0.061 0.000 0.819 287 A HN 0.219 nan 8.150 nan 0.000 0.442 288 M N -1.064 118.482 119.600 -0.090 0.000 2.200 288 M HA 0.023 4.504 4.480 0.001 0.000 0.265 288 M C 2.107 178.322 176.300 -0.143 0.000 1.066 288 M CA 1.061 56.292 55.300 -0.115 0.000 1.127 288 M CB -0.169 32.353 32.600 -0.131 0.000 1.379 288 M HN 0.485 nan 8.290 nan 0.000 0.420 289 L N 0.099 121.241 121.223 -0.135 0.000 2.079 289 L HA -0.274 4.066 4.340 0.001 0.000 0.210 289 L C 2.469 179.285 176.870 -0.090 0.000 1.081 289 L CA 1.409 56.170 54.840 -0.131 0.000 0.752 289 L CB -0.287 41.716 42.059 -0.094 0.000 0.896 289 L HN 0.339 nan 8.230 nan 0.000 0.433 290 Q N 0.182 119.940 119.800 -0.070 0.000 2.124 290 Q HA -0.245 4.096 4.340 0.001 0.000 0.202 290 Q C 1.639 177.609 176.000 -0.050 0.000 0.977 290 Q CA 2.054 57.827 55.803 -0.050 0.000 0.850 290 Q CB -0.218 28.494 28.738 -0.043 0.000 0.901 290 Q HN 0.449 nan 8.270 nan 0.000 0.429 291 D N -0.069 120.293 120.400 -0.064 0.000 2.106 291 D HA -0.187 4.453 4.640 0.001 0.000 0.191 291 D C 1.900 178.170 176.300 -0.051 0.000 0.997 291 D CA 1.715 55.681 54.000 -0.057 0.000 0.834 291 D CB -0.342 40.416 40.800 -0.071 0.000 0.956 291 D HN 0.398 nan 8.370 nan 0.000 0.448 292 I N 1.162 121.688 120.570 -0.073 0.000 2.208 292 I HA -0.293 3.878 4.170 0.001 0.000 0.245 292 I C 2.506 178.609 176.117 -0.024 0.000 1.097 292 I CA 1.073 62.340 61.300 -0.055 0.000 1.363 292 I CB -0.339 37.601 38.000 -0.099 0.000 1.051 292 I HN -0.067 nan 8.210 nan 0.000 0.413 293 A N 0.930 123.734 122.820 -0.027 0.000 1.859 293 A HA -0.255 4.065 4.320 0.001 0.000 0.217 293 A C 2.425 180.005 177.584 -0.006 0.000 1.198 293 A CA 2.841 54.872 52.037 -0.010 0.000 0.629 293 A CB -1.332 17.660 19.000 -0.013 0.000 0.830 293 A HN 0.406 nan 8.150 nan 0.000 0.446 294 T N 0.539 115.086 114.554 -0.013 0.000 2.635 294 T HA -0.179 4.171 4.350 0.001 0.000 0.267 294 T C 1.826 176.523 174.700 -0.006 0.000 1.040 294 T CA 1.444 63.538 62.100 -0.010 0.000 1.156 294 T CB -0.455 68.404 68.868 -0.015 0.000 0.863 294 T HN 0.258 nan 8.240 nan 0.000 0.430 295 L N 1.655 122.874 121.223 -0.007 0.000 2.127 295 L HA -0.095 4.246 4.340 0.001 0.000 0.211 295 L C 2.325 179.195 176.870 0.000 0.000 1.089 295 L CA 2.367 57.206 54.840 -0.002 0.000 0.757 295 L CB -1.279 40.781 42.059 0.002 0.000 0.899 295 L HN 0.545 nan 8.230 nan 0.000 0.434 296 T N -4.646 109.910 114.554 0.003 0.000 3.085 296 T HA 0.285 4.635 4.350 0.001 0.000 0.264 296 T C 1.121 175.826 174.700 0.008 0.000 1.019 296 T CA 0.334 62.436 62.100 0.004 0.000 0.910 296 T CB 0.097 68.972 68.868 0.012 0.000 1.059 296 T HN 0.470 nan 8.240 nan 0.000 0.542 297 G N 0.493 109.299 108.800 0.009 0.000 2.333 297 G HA2 0.116 4.077 3.960 0.001 0.000 0.296 297 G HA3 0.116 4.077 3.960 0.001 0.000 0.296 297 G C 0.286 175.202 174.900 0.027 0.000 1.059 297 G CA -0.144 44.964 45.100 0.014 0.000 1.050 297 G HN 1.076 nan 8.290 nan 0.000 0.508 298 G N -1.518 107.298 108.800 0.027 0.000 2.788 298 G HA2 0.826 4.787 3.960 0.001 0.000 0.293 298 G HA3 0.826 4.787 3.960 0.001 0.000 0.293 298 G C -0.555 174.358 174.900 0.021 0.000 1.305 298 G CA 0.022 45.144 45.100 0.037 0.000 1.005 298 G HN 0.650 nan 8.290 nan 0.000 0.496 299 T N 0.645 115.211 114.554 0.021 0.000 2.786 299 T HA 0.422 4.772 4.350 0.001 0.000 0.283 299 T C 0.184 174.888 174.700 0.006 0.000 0.992 299 T CA -0.274 61.832 62.100 0.010 0.000 0.954 299 T CB 1.503 70.376 68.868 0.009 0.000 0.934 299 T HN 0.409 nan 8.240 nan 0.000 0.440 300 V N 4.742 124.655 119.914 -0.001 0.000 2.599 300 V HA 0.144 4.265 4.120 0.001 0.000 0.300 300 V C 0.435 176.527 176.094 -0.003 0.000 1.034 300 V CA 0.091 62.388 62.300 -0.005 0.000 1.115 300 V CB -0.050 31.765 31.823 -0.014 0.000 0.934 300 V HN 0.785 nan 8.190 nan 0.000 0.485 301 I N 5.249 125.819 120.570 -0.001 0.000 2.442 301 I HA 0.274 4.445 4.170 0.001 0.000 0.279 301 I C 0.277 176.394 176.117 0.000 0.000 1.081 301 I CA 0.129 61.429 61.300 0.000 0.000 1.197 301 I CB 0.786 38.788 38.000 0.002 0.000 1.394 301 I HN 0.755 nan 8.210 nan 0.000 0.488 302 S N 2.388 118.087 115.700 -0.002 0.000 2.501 302 S HA 0.397 4.867 4.470 0.001 0.000 0.301 302 S C 0.486 175.086 174.600 -0.001 0.000 1.096 302 S CA -0.874 57.325 58.200 -0.001 0.000 1.063 302 S CB 1.817 65.014 63.200 -0.005 0.000 1.042 302 S HN 0.541 nan 8.310 nan 0.000 0.494 303 E N 0.895 121.096 120.200 0.001 0.000 2.516 303 E HA -0.079 4.272 4.350 0.001 0.000 0.199 303 E C 0.982 177.582 176.600 0.000 0.000 1.069 303 E CA 0.522 56.923 56.400 0.002 0.000 0.876 303 E CB -0.072 29.630 29.700 0.004 0.000 0.843 303 E HN 0.756 nan 8.360 nan 0.000 0.530 304 E N 0.556 120.755 120.200 -0.001 0.000 2.076 304 E HA -0.046 4.305 4.350 0.001 0.000 0.190 304 E C 1.453 178.050 176.600 -0.003 0.000 0.979 304 E CA 0.610 57.008 56.400 -0.003 0.000 0.807 304 E CB 0.119 29.816 29.700 -0.005 0.000 0.761 304 E HN 0.297 nan 8.360 nan 0.000 0.454 305 I N 0.767 121.335 120.570 -0.004 0.000 3.680 305 I HA 0.093 4.263 4.170 0.001 0.000 0.306 305 I C 0.651 176.766 176.117 -0.003 0.000 1.260 305 I CA -0.014 61.283 61.300 -0.004 0.000 1.201 305 I CB -0.393 37.604 38.000 -0.004 0.000 1.009 305 I HN 0.070 nan 8.210 nan 0.000 0.467 306 G N 2.200 110.999 108.800 -0.002 0.000 2.392 306 G HA2 -0.260 3.701 3.960 0.001 0.000 0.290 306 G HA3 -0.260 3.701 3.960 0.001 0.000 0.290 306 G C -0.243 174.656 174.900 -0.001 0.000 1.032 306 G CA -0.021 45.078 45.100 -0.001 0.000 1.269 306 G HN 0.331 nan 8.290 nan 0.000 0.511 307 M N -0.186 119.414 119.600 -0.001 0.000 2.591 307 M HA 0.554 5.034 4.480 0.001 0.000 0.306 307 M C -0.100 176.200 176.300 -0.000 0.000 1.190 307 M CA -0.679 54.620 55.300 -0.001 0.000 0.889 307 M CB 2.358 34.958 32.600 -0.001 0.000 1.728 307 M HN 0.324 nan 8.290 nan 0.000 0.458 308 E N 1.407 121.606 120.200 -0.001 0.000 2.266 308 E HA 0.356 4.706 4.350 0.001 0.000 0.268 308 E C 0.230 176.829 176.600 -0.001 0.000 0.879 308 E CA -0.544 55.856 56.400 -0.000 0.000 0.762 308 E CB 2.578 32.278 29.700 -0.001 0.000 1.199 308 E HN 0.621 nan 8.360 nan 0.000 0.422 309 L N 1.537 122.760 121.223 0.001 0.000 2.013 309 L HA -0.265 4.075 4.340 0.001 0.000 0.212 309 L C 1.831 178.698 176.870 -0.006 0.000 1.073 309 L CA 1.533 56.372 54.840 -0.001 0.000 0.753 309 L CB -0.362 41.699 42.059 0.003 0.000 0.890 309 L HN 0.618 nan 8.230 nan 0.000 0.432 310 E N 0.340 120.537 120.200 -0.005 0.000 2.097 310 E HA -0.195 4.155 4.350 0.001 0.000 0.196 310 E C 0.851 177.444 176.600 -0.011 0.000 1.000 310 E CA 1.236 57.632 56.400 -0.008 0.000 0.804 310 E CB -0.100 29.597 29.700 -0.005 0.000 0.740 310 E HN 0.321 nan 8.360 nan 0.000 0.454 311 K N 0.457 120.852 120.400 -0.009 0.000 2.502 311 K HA 0.415 4.736 4.320 0.001 0.000 0.244 311 K C -1.047 175.546 176.600 -0.012 0.000 1.249 311 K CA -0.176 56.105 56.287 -0.010 0.000 1.193 311 K CB 0.735 33.231 32.500 -0.007 0.000 1.674 311 K HN 0.004 nan 8.250 nan 0.000 0.302 312 A N 1.487 124.296 122.820 -0.018 0.000 2.446 312 A HA 0.272 4.593 4.320 0.001 0.000 0.282 312 A C 0.112 177.673 177.584 -0.037 0.000 1.102 312 A CA -0.828 51.195 52.037 -0.022 0.000 0.737 312 A CB 0.562 19.550 19.000 -0.019 0.000 1.212 312 A HN 0.419 nan 8.150 nan 0.000 0.434 313 T N 0.282 114.814 114.554 -0.037 0.000 2.754 313 T HA 0.410 4.761 4.350 0.001 0.000 0.286 313 T C 1.437 176.088 174.700 -0.081 0.000 0.997 313 T CA -0.411 61.656 62.100 -0.055 0.000 0.982 313 T CB 0.291 69.136 68.868 -0.038 0.000 1.027 313 T HN 0.421 nan 8.240 nan 0.000 0.529 314 L N 0.031 121.177 121.223 -0.128 0.000 2.089 314 L HA -0.175 4.166 4.340 0.001 0.000 0.213 314 L C 3.101 179.923 176.870 -0.080 0.000 1.079 314 L CA 1.915 56.623 54.840 -0.221 0.000 0.758 314 L CB -0.591 41.306 42.059 -0.270 0.000 0.891 314 L HN 0.889 nan 8.230 nan 0.000 0.433 315 E N -0.041 120.149 120.200 -0.017 0.000 2.130 315 E HA -0.269 4.082 4.350 0.001 0.000 0.196 315 E C 1.580 178.205 176.600 0.042 0.000 0.998 315 E CA 1.567 57.987 56.400 0.033 0.000 0.806 315 E CB 0.074 29.785 29.700 0.018 0.000 0.738 315 E HN 0.522 nan 8.360 nan 0.000 0.459 316 D N 0.075 120.485 120.400 0.017 0.000 2.218 316 D HA -0.113 4.528 4.640 0.001 0.000 0.204 316 D C 0.335 176.662 176.300 0.045 0.000 0.976 316 D CA 0.413 54.426 54.000 0.022 0.000 0.853 316 D CB -0.043 40.760 40.800 0.005 0.000 0.939 316 D HN 0.118 nan 8.370 nan 0.000 0.481 317 L N 1.190 122.453 121.223 0.067 0.000 2.453 317 L HA 0.221 4.562 4.340 0.001 0.000 0.272 317 L C 1.437 178.412 176.870 0.176 0.000 1.182 317 L CA 0.071 54.989 54.840 0.131 0.000 0.858 317 L CB 0.641 42.809 42.059 0.181 0.000 1.120 317 L HN -0.139 nan 8.230 nan 0.000 0.474 318 G N 2.427 111.305 108.800 0.129 0.000 2.651 318 G HA2 0.401 4.362 3.960 0.001 0.000 0.260 318 G HA3 0.401 4.362 3.960 0.001 0.000 0.260 318 G C -0.738 174.215 174.900 0.088 0.000 1.216 318 G CA -0.209 44.945 45.100 0.091 0.000 0.913 318 G HN 0.624 nan 8.290 nan 0.000 0.535 319 Q N -1.588 118.212 119.800 0.000 0.000 2.391 319 Q HA 0.599 4.939 4.340 0.001 0.000 0.279 319 Q C -0.902 175.049 176.000 -0.082 0.000 1.028 319 Q CA -0.673 55.065 55.803 -0.108 0.000 0.836 319 Q CB 2.085 30.680 28.738 -0.238 0.000 1.414 319 Q HN 1.000 nan 8.270 nan 0.000 0.397 320 A N 1.866 124.626 122.820 -0.100 0.000 2.567 320 A HA 0.519 4.839 4.320 0.001 0.000 0.289 320 A C -0.709 176.826 177.584 -0.081 0.000 1.177 320 A CA -0.563 51.434 52.037 -0.067 0.000 0.694 320 A CB 1.449 20.431 19.000 -0.030 0.000 1.292 320 A HN 0.762 nan 8.150 nan 0.000 0.425 321 K N -0.775 119.592 120.400 -0.055 0.000 2.314 321 K HA 0.206 4.526 4.320 0.001 0.000 0.198 321 K C 0.227 176.803 176.600 -0.040 0.000 1.045 321 K CA 0.803 57.059 56.287 -0.052 0.000 0.988 321 K CB 0.272 32.749 32.500 -0.038 0.000 0.783 321 K HN 0.495 nan 8.250 nan 0.000 0.484 322 R N -0.143 120.339 120.500 -0.031 0.000 2.664 322 R HA 0.183 4.524 4.340 0.001 0.000 0.260 322 R C -1.863 174.428 176.300 -0.016 0.000 1.062 322 R CA -0.498 55.590 56.100 -0.022 0.000 0.902 322 R CB 2.171 32.461 30.300 -0.016 0.000 1.258 322 R HN -0.047 nan 8.270 nan 0.000 0.465 323 V N -0.090 119.816 119.914 -0.013 0.000 2.876 323 V HA 0.860 4.980 4.120 0.001 0.000 0.312 323 V C -1.438 174.646 176.094 -0.016 0.000 1.085 323 V CA -0.533 61.759 62.300 -0.014 0.000 0.945 323 V CB 2.365 34.181 31.823 -0.010 0.000 1.017 323 V HN 0.419 nan 8.190 nan 0.000 0.428 324 V N 6.182 126.078 119.914 -0.029 0.000 2.482 324 V HA 0.578 4.699 4.120 0.001 0.000 0.295 324 V C -0.377 175.687 176.094 -0.050 0.000 1.026 324 V CA -0.185 62.100 62.300 -0.026 0.000 0.856 324 V CB 1.421 33.229 31.823 -0.024 0.000 1.001 324 V HN 1.078 nan 8.190 nan 0.000 0.424 325 I N 3.019 123.580 120.570 -0.015 0.000 2.533 325 I HA 0.682 4.853 4.170 0.001 0.000 0.290 325 I C -0.692 175.449 176.117 0.039 0.000 1.056 325 I CA -0.344 60.937 61.300 -0.033 0.000 1.057 325 I CB 2.073 40.053 38.000 -0.033 0.000 1.240 325 I HN 0.465 nan 8.210 nan 0.000 0.423 326 N N 5.445 124.105 118.700 -0.067 0.000 2.717 326 N HA 0.235 4.976 4.740 0.001 0.000 0.314 326 N C 0.492 175.772 175.510 -0.384 0.000 1.324 326 N CA -0.751 52.260 53.050 -0.065 0.000 0.902 326 N CB 0.747 39.191 38.487 -0.072 0.000 1.126 326 N HN 0.665 nan 8.380 nan 0.000 0.579 327 K N 0.248 120.445 120.400 -0.337 0.000 2.152 327 K HA -0.162 4.158 4.320 0.001 0.000 0.206 327 K C -0.522 175.816 176.600 -0.436 0.000 1.048 327 K CA 1.965 57.942 56.287 -0.515 0.000 0.933 327 K CB -0.048 32.358 32.500 -0.158 0.000 0.721 327 K HN 0.568 nan 8.250 nan 0.000 0.447 328 D N -1.168 119.066 120.400 -0.277 0.000 2.822 328 D HA 0.105 4.745 4.640 0.001 0.000 0.327 328 D C -1.110 175.083 176.300 -0.179 0.000 1.577 328 D CA -0.398 53.480 54.000 -0.203 0.000 0.785 328 D CB 1.108 41.832 40.800 -0.126 0.000 1.199 328 D HN -0.166 nan 8.370 nan 0.000 0.443 329 T N 0.304 114.726 114.554 -0.220 0.000 3.355 329 T HA 0.344 4.695 4.350 0.001 0.000 0.324 329 T C -0.628 173.889 174.700 -0.304 0.000 0.932 329 T CA -0.394 61.566 62.100 -0.234 0.000 1.032 329 T CB 1.542 70.319 68.868 -0.152 0.000 1.027 329 T HN -0.090 nan 8.240 nan 0.000 0.456 330 T N 2.771 117.009 114.554 -0.527 0.000 2.909 330 T HA 0.650 5.001 4.350 0.001 0.000 0.289 330 T C 0.138 174.525 174.700 -0.522 0.000 1.005 330 T CA -0.318 61.429 62.100 -0.588 0.000 1.084 330 T CB 1.303 69.640 68.868 -0.885 0.000 0.975 330 T HN 0.581 nan 8.240 nan 0.000 0.509 331 T N 2.581 116.980 114.554 -0.258 0.000 3.172 331 T HA 0.554 4.904 4.350 0.001 0.000 0.320 331 T C -1.145 173.536 174.700 -0.032 0.000 1.085 331 T CA -0.663 61.368 62.100 -0.114 0.000 1.052 331 T CB 0.285 69.105 68.868 -0.081 0.000 1.107 331 T HN 0.432 nan 8.240 nan 0.000 0.458 332 I N 5.578 126.166 120.570 0.031 0.000 2.336 332 I HA 0.480 4.651 4.170 0.001 0.000 0.292 332 I C -0.091 176.038 176.117 0.021 0.000 0.991 332 I CA -0.765 60.557 61.300 0.038 0.000 1.227 332 I CB 1.464 39.511 38.000 0.078 0.000 1.366 332 I HN 0.564 nan 8.210 nan 0.000 0.466 333 I N 5.789 126.362 120.570 0.005 0.000 2.312 333 I HA 0.203 4.373 4.170 0.001 0.000 0.290 333 I C -0.534 175.580 176.117 -0.005 0.000 1.008 333 I CA -0.268 61.031 61.300 -0.001 0.000 1.226 333 I CB 0.880 38.876 38.000 -0.007 0.000 1.371 333 I HN 0.613 nan 8.210 nan 0.000 0.468 334 D N 4.852 125.250 120.400 -0.003 0.000 4.201 334 D HA -0.113 4.527 4.640 0.001 0.000 0.238 334 D C 0.078 176.370 176.300 -0.013 0.000 1.070 334 D CA 0.981 54.975 54.000 -0.009 0.000 1.208 334 D CB 0.021 40.812 40.800 -0.013 0.000 0.825 334 D HN 0.771 nan 8.370 nan 0.000 0.404 335 G N 1.183 109.978 108.800 -0.009 0.000 2.448 335 G HA2 0.417 4.378 3.960 0.001 0.000 0.285 335 G HA3 0.417 4.378 3.960 0.001 0.000 0.285 335 G C 1.330 176.220 174.900 -0.017 0.000 1.176 335 G CA -0.514 44.579 45.100 -0.012 0.000 0.852 335 G HN 0.385 nan 8.290 nan 0.000 0.530 336 V N 1.729 121.628 119.914 -0.024 0.000 2.970 336 V HA 0.007 4.127 4.120 0.001 0.000 0.260 336 V C 2.157 178.244 176.094 -0.013 0.000 1.100 336 V CA 1.137 63.422 62.300 -0.025 0.000 1.122 336 V CB -0.976 30.825 31.823 -0.037 0.000 0.721 336 V HN 0.819 nan 8.190 nan 0.000 0.483 337 G N 1.237 110.033 108.800 -0.008 0.000 2.202 337 G HA2 0.019 3.979 3.960 0.001 0.000 0.251 337 G HA3 0.019 3.979 3.960 0.001 0.000 0.251 337 G C -0.060 174.837 174.900 -0.005 0.000 1.219 337 G CA -0.166 44.932 45.100 -0.004 0.000 0.943 337 G HN 0.567 nan 8.290 nan 0.000 0.465 338 E N 2.114 122.312 120.200 -0.004 0.000 2.413 338 E HA 0.015 4.366 4.350 0.001 0.000 0.263 338 E C 0.808 177.405 176.600 -0.004 0.000 1.015 338 E CA 0.098 56.496 56.400 -0.004 0.000 0.916 338 E CB 1.138 30.836 29.700 -0.002 0.000 0.947 338 E HN 0.686 nan 8.360 nan 0.000 0.440 339 E N 1.809 122.006 120.200 -0.004 0.000 2.409 339 E HA -0.190 4.160 4.350 0.001 0.000 0.198 339 E C 1.637 178.235 176.600 -0.005 0.000 1.024 339 E CA 0.613 57.011 56.400 -0.005 0.000 0.861 339 E CB -0.011 29.686 29.700 -0.005 0.000 0.788 339 E HN 0.588 nan 8.360 nan 0.000 0.521 340 A N 1.697 124.514 122.820 -0.004 0.000 1.858 340 A HA -0.142 4.178 4.320 0.001 0.000 0.216 340 A C 2.414 179.996 177.584 -0.004 0.000 1.190 340 A CA 1.784 53.819 52.037 -0.004 0.000 0.617 340 A CB -0.661 18.337 19.000 -0.003 0.000 0.827 340 A HN 0.325 nan 8.150 nan 0.000 0.443 341 A N -0.520 122.298 122.820 -0.004 0.000 1.929 341 A HA 0.072 4.392 4.320 0.001 0.000 0.216 341 A C 2.117 179.697 177.584 -0.007 0.000 1.176 341 A CA 1.200 53.234 52.037 -0.005 0.000 0.628 341 A CB -0.531 18.467 19.000 -0.004 0.000 0.816 341 A HN 0.486 nan 8.150 nan 0.000 0.444 342 I N -0.831 119.735 120.570 -0.006 0.000 2.113 342 I HA -0.289 3.882 4.170 0.001 0.000 0.238 342 I C 2.764 178.876 176.117 -0.008 0.000 1.070 342 I CA 1.824 63.120 61.300 -0.007 0.000 1.332 342 I CB -0.348 37.648 38.000 -0.006 0.000 1.044 342 I HN 0.321 nan 8.210 nan 0.000 0.402 343 Q N 1.246 121.041 119.800 -0.007 0.000 2.135 343 Q HA -0.151 4.190 4.340 0.001 0.000 0.204 343 Q C 2.004 177.999 176.000 -0.008 0.000 0.981 343 Q CA 2.097 57.896 55.803 -0.007 0.000 0.856 343 Q CB -0.826 27.909 28.738 -0.006 0.000 0.902 343 Q HN 0.534 nan 8.270 nan 0.000 0.425 344 G N -0.088 108.707 108.800 -0.008 0.000 2.453 344 G HA2 -0.317 3.644 3.960 0.001 0.000 0.215 344 G HA3 -0.317 3.644 3.960 0.001 0.000 0.215 344 G C 1.513 176.406 174.900 -0.011 0.000 1.201 344 G CA 0.881 45.976 45.100 -0.008 0.000 0.784 344 G HN 0.376 nan 8.290 nan 0.000 0.545 345 R N 0.314 120.807 120.500 -0.012 0.000 2.159 345 R HA -0.017 4.324 4.340 0.001 0.000 0.237 345 R C 2.404 178.694 176.300 -0.017 0.000 1.131 345 R CA 1.478 57.569 56.100 -0.015 0.000 0.982 345 R CB -0.830 29.460 30.300 -0.017 0.000 0.868 345 R HN 0.258 nan 8.270 nan 0.000 0.453 346 V N 0.344 120.249 119.914 -0.015 0.000 2.453 346 V HA -0.071 4.050 4.120 0.001 0.000 0.247 346 V C 2.195 178.280 176.094 -0.014 0.000 1.048 346 V CA 1.665 63.956 62.300 -0.015 0.000 1.049 346 V CB -0.685 31.131 31.823 -0.013 0.000 0.672 346 V HN 0.508 nan 8.190 nan 0.000 0.457 347 A N -1.096 121.717 122.820 -0.012 0.000 2.168 347 A HA -0.166 4.155 4.320 0.001 0.000 0.215 347 A C 2.135 179.712 177.584 -0.012 0.000 1.152 347 A CA 1.200 53.231 52.037 -0.011 0.000 0.716 347 A CB -0.257 18.738 19.000 -0.009 0.000 0.794 347 A HN 0.636 nan 8.150 nan 0.000 0.465 348 Q N -0.633 119.158 119.800 -0.014 0.000 2.107 348 Q HA 0.125 4.465 4.340 0.001 0.000 0.195 348 Q C 1.633 177.622 176.000 -0.019 0.000 0.964 348 Q CA 1.027 56.821 55.803 -0.016 0.000 0.833 348 Q CB -0.137 28.591 28.738 -0.017 0.000 0.910 348 Q HN 0.714 nan 8.270 nan 0.000 0.465 349 I N 0.756 121.313 120.570 -0.021 0.000 3.176 349 I HA -0.158 4.013 4.170 0.001 0.000 0.275 349 I C 2.243 178.347 176.117 -0.023 0.000 1.298 349 I CA 0.384 61.669 61.300 -0.025 0.000 1.445 349 I CB -0.127 37.854 38.000 -0.030 0.000 1.075 349 I HN 0.088 nan 8.210 nan 0.000 0.482 350 R N 1.648 122.137 120.500 -0.018 0.000 2.073 350 R HA -0.184 4.157 4.340 0.001 0.000 0.234 350 R C 1.995 178.286 176.300 -0.014 0.000 1.134 350 R CA 1.741 57.832 56.100 -0.015 0.000 0.952 350 R CB -0.102 30.191 30.300 -0.012 0.000 0.850 350 R HN 0.397 nan 8.270 nan 0.000 0.433 351 Q N -0.664 119.128 119.800 -0.014 0.000 2.392 351 Q HA 0.044 4.385 4.340 0.001 0.000 0.203 351 Q C 1.675 177.666 176.000 -0.014 0.000 0.917 351 Q CA 0.137 55.932 55.803 -0.012 0.000 0.939 351 Q CB 0.559 29.291 28.738 -0.010 0.000 1.063 351 Q HN 0.355 nan 8.270 nan 0.000 0.516 352 Q N 0.500 120.289 119.800 -0.019 0.000 2.084 352 Q HA -0.127 4.213 4.340 0.001 0.000 0.202 352 Q C 2.008 177.995 176.000 -0.022 0.000 0.978 352 Q CA 1.212 57.002 55.803 -0.023 0.000 0.844 352 Q CB -0.028 28.691 28.738 -0.030 0.000 0.898 352 Q HN 0.509 nan 8.270 nan 0.000 0.426 353 I N 1.011 121.567 120.570 -0.022 0.000 2.353 353 I HA -0.201 3.970 4.170 0.001 0.000 0.248 353 I C 2.095 178.205 176.117 -0.011 0.000 1.119 353 I CA 0.751 62.039 61.300 -0.020 0.000 1.417 353 I CB -0.334 37.654 38.000 -0.020 0.000 1.078 353 I HN 0.034 nan 8.210 nan 0.000 0.421 354 E N 1.618 121.812 120.200 -0.009 0.000 2.085 354 E HA -0.218 4.133 4.350 0.001 0.000 0.194 354 E C 1.440 178.038 176.600 -0.003 0.000 0.994 354 E CA 1.433 57.830 56.400 -0.005 0.000 0.801 354 E CB -0.310 29.387 29.700 -0.005 0.000 0.743 354 E HN 0.661 nan 8.360 nan 0.000 0.453 355 E N 0.134 120.331 120.200 -0.005 0.000 2.501 355 E HA 0.309 4.660 4.350 0.001 0.000 0.200 355 E C -0.076 176.522 176.600 -0.003 0.000 1.016 355 E CA -0.062 56.336 56.400 -0.003 0.000 0.921 355 E CB 0.808 30.505 29.700 -0.005 0.000 1.034 355 E HN 0.041 nan 8.360 nan 0.000 0.468 356 A N 1.880 124.697 122.820 -0.006 0.000 2.545 356 A HA 0.078 4.398 4.320 0.001 0.000 0.297 356 A C 1.324 178.911 177.584 0.005 0.000 1.340 356 A CA -0.202 51.832 52.037 -0.005 0.000 1.016 356 A CB -0.571 18.420 19.000 -0.015 0.000 1.122 356 A HN 0.255 nan 8.150 nan 0.000 0.537 357 T N -0.270 114.290 114.554 0.010 0.000 3.163 357 T HA 0.131 4.481 4.350 0.001 0.000 0.260 357 T C 0.838 175.552 174.700 0.024 0.000 1.156 357 T CA 0.859 62.968 62.100 0.015 0.000 1.072 357 T CB -0.166 68.710 68.868 0.013 0.000 0.937 357 T HN 0.412 nan 8.240 nan 0.000 0.528 358 S N -0.622 115.096 115.700 0.029 0.000 2.751 358 S HA 0.419 4.889 4.470 0.001 0.000 0.310 358 S C 0.216 174.846 174.600 0.049 0.000 1.128 358 S CA -0.752 57.476 58.200 0.047 0.000 0.931 358 S CB 1.762 65.004 63.200 0.071 0.000 1.177 358 S HN 0.146 nan 8.310 nan 0.000 0.530 359 D N -0.209 120.234 120.400 0.073 0.000 2.323 359 D HA 0.047 4.688 4.640 0.001 0.000 0.218 359 D C 1.237 177.594 176.300 0.095 0.000 0.973 359 D CA 0.736 54.780 54.000 0.073 0.000 0.890 359 D CB -0.067 40.778 40.800 0.075 0.000 1.011 359 D HN 0.590 nan 8.370 nan 0.000 0.499 360 Y N 1.922 122.228 120.300 0.010 0.000 2.337 360 Y HA -0.089 4.461 4.550 0.001 0.000 0.293 360 Y C 0.990 176.891 175.900 0.002 0.000 1.123 360 Y CA 1.392 59.498 58.100 0.009 0.000 1.201 360 Y CB 0.017 38.484 38.460 0.011 0.000 1.011 360 Y HN -0.198 nan 8.280 nan 0.000 0.545 361 D N -0.288 120.090 120.400 -0.036 0.000 2.392 361 D HA -0.047 4.593 4.640 0.001 0.000 0.228 361 D C 1.903 178.133 176.300 -0.115 0.000 1.003 361 D CA 0.531 54.470 54.000 -0.103 0.000 0.917 361 D CB 0.005 40.807 40.800 0.004 0.000 0.890 361 D HN 0.332 nan 8.370 nan 0.000 0.532 362 R N 0.125 120.563 120.500 -0.104 0.000 2.164 362 R HA 0.000 4.341 4.340 0.001 0.000 0.198 362 R C 1.512 177.756 176.300 -0.093 0.000 1.028 362 R CA 0.223 56.281 56.100 -0.071 0.000 1.083 362 R CB 0.395 30.679 30.300 -0.026 0.000 1.026 362 R HN -0.005 nan 8.270 nan 0.000 0.514 363 E N 1.598 121.723 120.200 -0.124 0.000 2.023 363 E HA -0.225 4.125 4.350 0.001 0.000 0.196 363 E C 1.673 178.192 176.600 -0.134 0.000 1.003 363 E CA 1.182 57.513 56.400 -0.116 0.000 0.809 363 E CB -0.179 29.448 29.700 -0.121 0.000 0.755 363 E HN 0.201 nan 8.360 nan 0.000 0.449 364 K N 0.910 121.181 120.400 -0.215 0.000 2.063 364 K HA -0.082 4.239 4.320 0.001 0.000 0.208 364 K C 2.534 179.063 176.600 -0.117 0.000 1.048 364 K CA 0.773 56.953 56.287 -0.179 0.000 0.928 364 K CB -0.662 31.689 32.500 -0.248 0.000 0.713 364 K HN 0.197 nan 8.250 nan 0.000 0.442 365 L N 1.147 122.303 121.223 -0.113 0.000 2.017 365 L HA -0.218 4.123 4.340 0.001 0.000 0.208 365 L C 2.676 179.511 176.870 -0.059 0.000 1.073 365 L CA 1.383 56.177 54.840 -0.078 0.000 0.745 365 L CB -0.521 41.497 42.059 -0.068 0.000 0.894 365 L HN 0.229 nan 8.230 nan 0.000 0.432 366 Q N -0.297 119.468 119.800 -0.057 0.000 2.170 366 Q HA -0.218 4.122 4.340 0.001 0.000 0.203 366 Q C 2.112 178.090 176.000 -0.038 0.000 0.976 366 Q CA 1.351 57.129 55.803 -0.042 0.000 0.858 366 Q CB -0.074 28.640 28.738 -0.040 0.000 0.907 366 Q HN 0.515 nan 8.270 nan 0.000 0.433 367 E N 0.647 120.820 120.200 -0.044 0.000 2.023 367 E HA -0.199 4.151 4.350 0.001 0.000 0.196 367 E C 2.082 178.666 176.600 -0.027 0.000 1.003 367 E CA 0.990 57.371 56.400 -0.032 0.000 0.809 367 E CB -0.021 29.658 29.700 -0.035 0.000 0.755 367 E HN 0.251 nan 8.360 nan 0.000 0.449 368 R N 0.383 120.861 120.500 -0.037 0.000 2.103 368 R HA -0.169 4.171 4.340 0.001 0.000 0.242 368 R C 2.706 178.990 176.300 -0.027 0.000 1.142 368 R CA 1.648 57.727 56.100 -0.035 0.000 0.960 368 R CB -0.830 29.441 30.300 -0.049 0.000 0.858 368 R HN 0.246 nan 8.270 nan 0.000 0.439 369 V N -1.149 118.747 119.914 -0.029 0.000 2.380 369 V HA -0.219 3.902 4.120 0.001 0.000 0.251 369 V C 2.178 178.262 176.094 -0.016 0.000 1.063 369 V CA 2.038 64.325 62.300 -0.023 0.000 1.055 369 V CB -0.905 30.904 31.823 -0.023 0.000 0.657 369 V HN 0.308 nan 8.190 nan 0.000 0.455 370 A N 0.216 123.027 122.820 -0.015 0.000 1.929 370 A HA -0.050 4.270 4.320 0.001 0.000 0.216 370 A C 2.283 179.866 177.584 -0.002 0.000 1.176 370 A CA 1.625 53.656 52.037 -0.009 0.000 0.628 370 A CB -0.523 18.471 19.000 -0.010 0.000 0.816 370 A HN 0.604 nan 8.150 nan 0.000 0.444 371 K N -0.631 119.769 120.400 0.001 0.000 2.283 371 K HA 0.053 4.374 4.320 0.001 0.000 0.202 371 K C 1.405 178.010 176.600 0.009 0.000 1.048 371 K CA 0.984 57.279 56.287 0.013 0.000 0.948 371 K CB -0.170 32.343 32.500 0.022 0.000 0.742 371 K HN 0.463 nan 8.250 nan 0.000 0.458 372 L N -1.088 120.134 121.223 -0.002 0.000 2.425 372 L HA 0.126 4.467 4.340 0.001 0.000 0.215 372 L C 1.905 178.772 176.870 -0.005 0.000 1.065 372 L CA 0.260 55.097 54.840 -0.005 0.000 0.842 372 L CB 0.048 42.099 42.059 -0.013 0.000 1.033 372 L HN 0.074 nan 8.230 nan 0.000 0.474 373 A N -0.046 122.771 122.820 -0.006 0.000 2.453 373 A HA 0.498 4.819 4.320 0.001 0.000 0.225 373 A C 1.603 179.185 177.584 -0.004 0.000 2.127 373 A CA 0.702 52.735 52.037 -0.006 0.000 0.864 373 A CB -1.227 17.768 19.000 -0.008 0.000 1.440 373 A HN 0.219 nan 8.150 nan 0.000 0.566 374 G N -1.123 107.674 108.800 -0.005 0.000 3.229 374 G HA2 0.455 4.415 3.960 0.001 0.000 0.165 374 G HA3 0.455 4.415 3.960 0.001 0.000 0.165 374 G C 0.416 175.315 174.900 -0.002 0.000 1.753 374 G CA 0.337 45.434 45.100 -0.004 0.000 1.054 374 G HN 1.172 nan 8.290 nan 0.000 0.544 375 G N -2.266 106.533 108.800 -0.003 0.000 2.658 375 G HA2 0.514 4.475 3.960 0.001 0.000 0.292 375 G HA3 0.514 4.475 3.960 0.001 0.000 0.292 375 G C -1.785 173.114 174.900 -0.002 0.000 1.320 375 G CA -0.356 44.744 45.100 -0.001 0.000 0.933 375 G HN 0.598 nan 8.290 nan 0.000 0.476 376 V N 0.305 120.219 119.914 0.000 0.000 2.435 376 V HA 0.734 4.855 4.120 0.001 0.000 0.290 376 V C 0.334 176.426 176.094 -0.003 0.000 1.030 376 V CA -0.514 61.785 62.300 -0.001 0.000 0.881 376 V CB 1.093 32.919 31.823 0.005 0.000 0.983 376 V HN 1.133 nan 8.190 nan 0.000 0.445 377 A N 4.546 127.362 122.820 -0.007 0.000 2.365 377 A HA 0.899 5.220 4.320 0.001 0.000 0.318 377 A C -0.995 176.584 177.584 -0.007 0.000 1.091 377 A CA -0.578 51.454 52.037 -0.007 0.000 0.763 377 A CB 1.839 20.833 19.000 -0.009 0.000 1.248 377 A HN 0.624 nan 8.150 nan 0.000 0.442 378 V N 3.102 123.013 119.914 -0.005 0.000 2.495 378 V HA 0.415 4.535 4.120 0.001 0.000 0.298 378 V C -0.378 175.713 176.094 -0.004 0.000 1.031 378 V CA -0.253 62.044 62.300 -0.004 0.000 0.871 378 V CB 1.539 33.361 31.823 -0.002 0.000 0.988 378 V HN 0.784 nan 8.190 nan 0.000 0.432 379 I N 4.611 125.179 120.570 -0.003 0.000 2.359 379 I HA 0.421 4.592 4.170 0.001 0.000 0.294 379 I C -0.070 176.048 176.117 0.002 0.000 0.987 379 I CA -0.467 60.832 61.300 -0.001 0.000 1.225 379 I CB 1.486 39.486 38.000 -0.001 0.000 1.366 379 I HN 0.525 nan 8.210 nan 0.000 0.466 380 K N 5.961 126.362 120.400 0.002 0.000 2.293 380 K HA 0.476 4.796 4.320 0.001 0.000 0.267 380 K C -1.029 175.574 176.600 0.005 0.000 1.010 380 K CA -0.685 55.604 56.287 0.004 0.000 0.875 380 K CB 1.801 34.302 32.500 0.002 0.000 1.106 380 K HN 0.275 nan 8.250 nan 0.000 0.450 381 V N 1.932 121.851 119.914 0.007 0.000 2.583 381 V HA 0.323 4.444 4.120 0.001 0.000 0.287 381 V C 0.856 176.954 176.094 0.006 0.000 1.051 381 V CA -0.761 61.544 62.300 0.008 0.000 1.010 381 V CB 1.080 32.910 31.823 0.011 0.000 0.988 381 V HN 0.887 nan 8.190 nan 0.000 0.478 382 G N 2.365 111.168 108.800 0.005 0.000 2.389 382 G HA2 0.774 4.735 3.960 0.001 0.000 0.328 382 G HA3 0.774 4.735 3.960 0.001 0.000 0.328 382 G C -0.594 174.308 174.900 0.005 0.000 1.133 382 G CA -0.074 45.029 45.100 0.004 0.000 0.891 382 G HN 1.325 nan 8.290 nan 0.000 0.485 383 A N 0.130 122.953 122.820 0.004 0.000 2.605 383 A HA 0.754 5.074 4.320 0.001 0.000 0.294 383 A C 0.671 178.257 177.584 0.003 0.000 1.062 383 A CA 0.303 52.342 52.037 0.004 0.000 0.682 383 A CB 0.901 19.904 19.000 0.005 0.000 1.278 383 A HN 1.766 nan 8.150 nan 0.000 0.410 384 A N 0.517 123.338 122.820 0.003 0.000 1.897 384 A HA 0.358 4.679 4.320 0.001 0.000 0.215 384 A C 1.392 178.978 177.584 0.003 0.000 1.181 384 A CA 2.438 54.477 52.037 0.002 0.000 0.620 384 A CB -0.646 18.354 19.000 0.001 0.000 0.821 384 A HN 1.855 nan 8.150 nan 0.000 0.443 385 T N -4.718 109.838 114.554 0.003 0.000 2.841 385 T HA 0.537 4.888 4.350 0.001 0.000 0.276 385 T C 0.518 175.222 174.700 0.006 0.000 1.003 385 T CA -0.104 61.999 62.100 0.004 0.000 0.995 385 T CB 1.715 70.584 68.868 0.003 0.000 1.260 385 T HN 0.168 nan 8.240 nan 0.000 0.581 386 E N -0.448 119.757 120.200 0.007 0.000 2.166 386 E HA 0.021 4.372 4.350 0.001 0.000 0.192 386 E C 2.175 178.781 176.600 0.010 0.000 0.967 386 E CA 0.456 56.862 56.400 0.011 0.000 0.840 386 E CB 0.011 29.719 29.700 0.013 0.000 0.795 386 E HN 0.537 nan 8.360 nan 0.000 0.470 387 V N 0.817 120.735 119.914 0.006 0.000 2.568 387 V HA -0.233 3.887 4.120 0.001 0.000 0.253 387 V C 2.100 178.196 176.094 0.004 0.000 1.072 387 V CA 1.811 64.113 62.300 0.003 0.000 1.084 387 V CB -0.540 31.282 31.823 -0.002 0.000 0.676 387 V HN 0.210 nan 8.190 nan 0.000 0.469 388 E N -0.385 119.818 120.200 0.004 0.000 2.075 388 E HA -0.111 4.239 4.350 0.001 0.000 0.190 388 E C 2.096 178.700 176.600 0.007 0.000 0.969 388 E CA 0.986 57.389 56.400 0.004 0.000 0.815 388 E CB -0.031 29.671 29.700 0.003 0.000 0.776 388 E HN 0.507 nan 8.360 nan 0.000 0.457 389 M N 1.650 121.255 119.600 0.009 0.000 2.065 389 M HA -0.203 4.278 4.480 0.001 0.000 0.259 389 M C 1.906 178.215 176.300 0.014 0.000 1.069 389 M CA 1.744 57.050 55.300 0.011 0.000 1.110 389 M CB -0.154 32.453 32.600 0.012 0.000 1.328 389 M HN -0.140 nan 8.290 nan 0.000 0.405 390 K N -0.328 120.082 120.400 0.016 0.000 2.001 390 K HA -0.282 4.039 4.320 0.001 0.000 0.214 390 K C 2.007 178.617 176.600 0.017 0.000 1.050 390 K CA 2.325 58.623 56.287 0.019 0.000 0.934 390 K CB -0.524 31.988 32.500 0.020 0.000 0.718 390 K HN 0.546 nan 8.250 nan 0.000 0.443 391 E N 1.518 121.725 120.200 0.012 0.000 2.038 391 E HA -0.249 4.102 4.350 0.001 0.000 0.195 391 E C 1.922 178.529 176.600 0.012 0.000 1.000 391 E CA 1.993 58.399 56.400 0.010 0.000 0.803 391 E CB -0.177 29.526 29.700 0.005 0.000 0.750 391 E HN 0.085 nan 8.360 nan 0.000 0.448 392 K N 0.885 121.292 120.400 0.011 0.000 2.044 392 K HA -0.209 4.111 4.320 0.001 0.000 0.210 392 K C 2.196 178.806 176.600 0.016 0.000 1.049 392 K CA 2.147 58.441 56.287 0.012 0.000 0.927 392 K CB -0.300 32.206 32.500 0.009 0.000 0.713 392 K HN 0.156 nan 8.250 nan 0.000 0.443 393 K N -0.561 119.850 120.400 0.019 0.000 2.026 393 K HA -0.129 4.192 4.320 0.001 0.000 0.208 393 K C 1.999 178.618 176.600 0.031 0.000 1.048 393 K CA 1.356 57.657 56.287 0.023 0.000 0.929 393 K CB -0.327 32.188 32.500 0.024 0.000 0.713 393 K HN 0.261 nan 8.250 nan 0.000 0.439 394 A N 1.391 124.229 122.820 0.030 0.000 1.908 394 A HA -0.211 4.110 4.320 0.001 0.000 0.218 394 A C 2.115 179.720 177.584 0.036 0.000 1.181 394 A CA 1.652 53.709 52.037 0.033 0.000 0.627 394 A CB -0.506 18.508 19.000 0.023 0.000 0.818 394 A HN 0.320 nan 8.150 nan 0.000 0.445 395 R N -0.789 119.727 120.500 0.027 0.000 2.073 395 R HA -0.085 4.255 4.340 0.001 0.000 0.234 395 R C 2.108 178.431 176.300 0.038 0.000 1.134 395 R CA 1.529 57.646 56.100 0.028 0.000 0.952 395 R CB -0.617 29.694 30.300 0.018 0.000 0.850 395 R HN 0.402 nan 8.270 nan 0.000 0.433 396 V N 1.539 121.473 119.914 0.033 0.000 2.282 396 V HA -0.282 3.839 4.120 0.001 0.000 0.249 396 V C 2.264 178.389 176.094 0.052 0.000 1.057 396 V CA 1.831 64.151 62.300 0.033 0.000 1.032 396 V CB -0.534 31.302 31.823 0.023 0.000 0.645 396 V HN 0.342 nan 8.190 nan 0.000 0.447 397 E N 0.047 120.288 120.200 0.068 0.000 2.049 397 E HA -0.310 4.041 4.350 0.001 0.000 0.198 397 E C 2.052 178.800 176.600 0.246 0.000 1.007 397 E CA 2.009 58.482 56.400 0.122 0.000 0.809 397 E CB -0.418 29.356 29.700 0.123 0.000 0.749 397 E HN 0.702 nan 8.360 nan 0.000 0.450 398 D N -0.185 120.314 120.400 0.165 0.000 2.133 398 D HA -0.162 4.478 4.640 0.001 0.000 0.195 398 D C 1.748 178.135 176.300 0.144 0.000 0.997 398 D CA 1.816 55.896 54.000 0.132 0.000 0.840 398 D CB 0.027 40.860 40.800 0.055 0.000 0.947 398 D HN 0.200 nan 8.370 nan 0.000 0.452 399 A N -0.128 122.750 122.820 0.097 0.000 1.935 399 A HA 0.017 4.338 4.320 0.001 0.000 0.214 399 A C 2.087 179.709 177.584 0.063 0.000 1.178 399 A CA 0.205 52.282 52.037 0.068 0.000 0.640 399 A CB -0.557 18.468 19.000 0.040 0.000 0.825 399 A HN 0.304 nan 8.150 nan 0.000 0.447 400 L N -0.082 121.170 121.223 0.048 0.000 2.021 400 L HA -0.294 4.047 4.340 0.001 0.000 0.215 400 L C 2.357 179.203 176.870 -0.041 0.000 1.074 400 L CA 2.747 57.577 54.840 -0.017 0.000 0.760 400 L CB -1.198 40.822 42.059 -0.064 0.000 0.889 400 L HN 0.574 nan 8.230 nan 0.000 0.433 401 H N -0.819 118.258 119.070 0.012 0.000 2.321 401 H HA -0.098 4.459 4.556 0.001 0.000 0.300 401 H C 2.202 177.539 175.328 0.015 0.000 1.087 401 H CA 1.815 57.871 56.048 0.015 0.000 1.319 401 H CB -0.151 29.621 29.762 0.017 0.000 1.379 401 H HN 0.492 nan 8.280 nan 0.000 0.501 402 A N 0.281 123.191 122.820 0.151 0.000 1.877 402 A HA -0.238 4.083 4.320 0.001 0.000 0.216 402 A C 2.554 180.171 177.584 0.055 0.000 1.186 402 A CA 2.382 54.471 52.037 0.088 0.000 0.620 402 A CB -1.301 17.737 19.000 0.064 0.000 0.822 402 A HN 0.634 nan 8.150 nan 0.000 0.443 403 T N -1.363 113.215 114.554 0.040 0.000 2.635 403 T HA -0.261 4.089 4.350 0.001 0.000 0.267 403 T C 1.872 176.582 174.700 0.017 0.000 1.040 403 T CA 1.467 63.580 62.100 0.021 0.000 1.156 403 T CB -0.591 68.283 68.868 0.010 0.000 0.863 403 T HN 0.461 nan 8.240 nan 0.000 0.430 404 R N 1.737 122.243 120.500 0.010 0.000 2.211 404 R HA 0.040 4.380 4.340 0.001 0.000 0.240 404 R C 2.685 178.999 176.300 0.024 0.000 1.144 404 R CA 1.350 57.453 56.100 0.005 0.000 0.992 404 R CB -0.975 29.315 30.300 -0.017 0.000 0.869 404 R HN 0.683 nan 8.270 nan 0.000 0.462 405 A N 0.733 123.578 122.820 0.040 0.000 1.943 405 A HA 0.208 4.528 4.320 0.001 0.000 0.213 405 A C 2.367 179.970 177.584 0.031 0.000 1.181 405 A CA 0.831 52.895 52.037 0.044 0.000 0.653 405 A CB -0.288 18.747 19.000 0.059 0.000 0.833 405 A HN 0.270 nan 8.150 nan 0.000 0.451 406 A N -0.227 122.610 122.820 0.028 0.000 1.892 406 A HA -0.087 4.233 4.320 0.001 0.000 0.218 406 A C 2.191 179.784 177.584 0.016 0.000 1.188 406 A CA 2.006 54.055 52.037 0.020 0.000 0.631 406 A CB -0.978 18.033 19.000 0.018 0.000 0.822 406 A HN 0.389 nan 8.150 nan 0.000 0.447 407 V N 0.954 120.877 119.914 0.014 0.000 2.427 407 V HA -0.243 3.878 4.120 0.001 0.000 0.248 407 V C 2.510 178.610 176.094 0.009 0.000 1.051 407 V CA 2.279 64.585 62.300 0.009 0.000 1.048 407 V CB -0.783 31.044 31.823 0.005 0.000 0.666 407 V HN 0.924 nan 8.190 nan 0.000 0.456 408 E N -0.313 119.895 120.200 0.012 0.000 2.318 408 E HA -0.129 4.221 4.350 0.001 0.000 0.193 408 E C 1.775 178.382 176.600 0.012 0.000 0.998 408 E CA 1.063 57.470 56.400 0.012 0.000 0.859 408 E CB 0.069 29.778 29.700 0.014 0.000 0.812 408 E HN 0.646 nan 8.360 nan 0.000 0.492 409 E N 0.030 120.238 120.200 0.014 0.000 2.571 409 E HA 0.225 4.576 4.350 0.001 0.000 0.222 409 E C 0.291 176.897 176.600 0.011 0.000 0.904 409 E CA 0.379 56.787 56.400 0.012 0.000 1.157 409 E CB 1.189 30.897 29.700 0.014 0.000 1.158 409 E HN 0.330 nan 8.360 nan 0.000 0.540 410 G N 0.132 108.939 108.800 0.012 0.000 2.526 410 G HA2 -0.126 3.835 3.960 0.001 0.000 0.250 410 G HA3 -0.126 3.835 3.960 0.001 0.000 0.250 410 G C -0.648 174.260 174.900 0.013 0.000 1.289 410 G CA -0.561 44.545 45.100 0.011 0.000 0.947 410 G HN 0.649 nan 8.290 nan 0.000 0.517 411 V N -2.861 117.060 119.914 0.013 0.000 3.130 411 V HA 1.012 5.132 4.120 0.001 0.000 0.310 411 V C 0.490 176.593 176.094 0.015 0.000 1.158 411 V CA 0.026 62.335 62.300 0.014 0.000 1.029 411 V CB 1.138 32.970 31.823 0.014 0.000 1.057 411 V HN 2.548 nan 8.190 nan 0.000 0.436 412 V N -2.144 117.780 119.914 0.016 0.000 3.232 412 V HA 1.010 5.131 4.120 0.001 0.000 0.303 412 V C 0.101 176.208 176.094 0.020 0.000 1.311 412 V CA -0.675 61.636 62.300 0.018 0.000 1.061 412 V CB 1.280 33.113 31.823 0.018 0.000 1.085 412 V HN 2.134 nan 8.190 nan 0.000 0.447 413 A N 0.883 123.718 122.820 0.025 0.000 2.409 413 A HA 0.760 5.080 4.320 0.001 0.000 0.267 413 A C 0.802 178.401 177.584 0.025 0.000 1.127 413 A CA 0.477 52.530 52.037 0.027 0.000 0.795 413 A CB -0.188 18.834 19.000 0.037 0.000 1.061 413 A HN 2.043 nan 8.150 nan 0.000 0.502 414 G N 0.755 109.566 108.800 0.019 0.000 2.516 414 G HA2 0.503 4.463 3.960 0.001 0.000 0.276 414 G HA3 0.503 4.463 3.960 0.001 0.000 0.276 414 G C 1.119 176.032 174.900 0.023 0.000 1.390 414 G CA 0.031 45.142 45.100 0.017 0.000 1.050 414 G HN 2.238 nan 8.290 nan 0.000 0.519 415 G N -2.361 106.452 108.800 0.023 0.000 2.160 415 G HA2 0.226 4.187 3.960 0.001 0.000 0.251 415 G HA3 0.226 4.187 3.960 0.001 0.000 0.251 415 G C 1.452 176.379 174.900 0.045 0.000 1.008 415 G CA 1.001 46.123 45.100 0.036 0.000 0.724 415 G HN 2.512 nan 8.290 nan 0.000 0.514 416 G N -2.153 106.668 108.800 0.035 0.000 2.168 416 G HA2 -0.094 3.867 3.960 0.001 0.000 0.257 416 G HA3 -0.094 3.867 3.960 0.001 0.000 0.257 416 G C 1.821 176.744 174.900 0.039 0.000 0.997 416 G CA 1.764 46.885 45.100 0.035 0.000 0.708 416 G HN 2.108 nan 8.290 nan 0.000 0.520 417 V N -0.143 119.797 119.914 0.043 0.000 2.307 417 V HA 0.151 4.272 4.120 0.001 0.000 0.245 417 V C 2.935 179.054 176.094 0.042 0.000 1.045 417 V CA 2.698 65.027 62.300 0.049 0.000 1.024 417 V CB -0.725 31.132 31.823 0.057 0.000 0.651 417 V HN 1.446 nan 8.190 nan 0.000 0.449 418 A N 0.243 123.084 122.820 0.035 0.000 1.869 418 A HA -0.238 4.083 4.320 0.001 0.000 0.218 418 A C 2.191 179.791 177.584 0.026 0.000 1.203 418 A CA 2.541 54.595 52.037 0.029 0.000 0.638 418 A CB -1.086 17.928 19.000 0.024 0.000 0.831 418 A HN 0.559 nan 8.150 nan 0.000 0.450 419 L N -0.885 120.352 121.223 0.024 0.000 2.043 419 L HA -0.155 4.186 4.340 0.001 0.000 0.212 419 L C 2.374 179.258 176.870 0.023 0.000 1.075 419 L CA 1.934 56.786 54.840 0.020 0.000 0.752 419 L CB -0.692 41.378 42.059 0.019 0.000 0.891 419 L HN 0.517 nan 8.230 nan 0.000 0.432 420 I N -1.480 119.107 120.570 0.029 0.000 2.614 420 I HA -0.232 3.938 4.170 0.001 0.000 0.258 420 I C 2.402 178.538 176.117 0.032 0.000 1.189 420 I CA 0.770 62.088 61.300 0.030 0.000 1.462 420 I CB -0.184 37.838 38.000 0.038 0.000 1.092 420 I HN 0.193 nan 8.210 nan 0.000 0.442 421 R N -0.178 120.342 120.500 0.034 0.000 2.055 421 R HA -0.030 4.311 4.340 0.001 0.000 0.226 421 R C 2.363 178.677 176.300 0.023 0.000 1.135 421 R CA 1.658 57.778 56.100 0.033 0.000 0.959 421 R CB -1.311 29.011 30.300 0.037 0.000 0.854 421 R HN 0.420 nan 8.270 nan 0.000 0.431 422 V N 0.715 120.641 119.914 0.019 0.000 2.720 422 V HA -0.093 4.028 4.120 0.001 0.000 0.256 422 V C 2.118 178.219 176.094 0.011 0.000 1.082 422 V CA 1.943 64.251 62.300 0.013 0.000 1.101 422 V CB -0.644 31.185 31.823 0.009 0.000 0.693 422 V HN 0.233 nan 8.190 nan 0.000 0.479 423 A N 1.279 124.107 122.820 0.013 0.000 1.940 423 A HA -0.164 4.157 4.320 0.001 0.000 0.219 423 A C 2.557 180.148 177.584 0.011 0.000 1.176 423 A CA 2.551 54.594 52.037 0.012 0.000 0.631 423 A CB -0.940 18.068 19.000 0.013 0.000 0.814 423 A HN 1.007 nan 8.150 nan 0.000 0.446 424 S N -0.576 115.133 115.700 0.013 0.000 2.446 424 S HA -0.022 4.448 4.470 0.001 0.000 0.225 424 S C 1.723 176.328 174.600 0.009 0.000 1.016 424 S CA 1.019 59.225 58.200 0.011 0.000 0.943 424 S CB -0.188 63.020 63.200 0.013 0.000 0.786 424 S HN 0.551 nan 8.310 nan 0.000 0.508 425 K N 1.237 121.642 120.400 0.010 0.000 2.152 425 K HA 0.110 4.431 4.320 0.001 0.000 0.206 425 K C 1.303 177.906 176.600 0.005 0.000 1.048 425 K CA 1.175 57.467 56.287 0.007 0.000 0.933 425 K CB -0.388 32.116 32.500 0.008 0.000 0.721 425 K HN 0.407 nan 8.250 nan 0.000 0.447 426 L N -0.123 121.103 121.223 0.005 0.000 2.629 426 L HA 0.188 4.528 4.340 0.001 0.000 0.230 426 L C 1.778 178.650 176.870 0.004 0.000 1.151 426 L CA -0.300 54.542 54.840 0.004 0.000 0.924 426 L CB -0.057 42.003 42.059 0.003 0.000 1.137 426 L HN 0.093 nan 8.230 nan 0.000 0.457 427 A N 0.063 122.885 122.820 0.004 0.000 2.084 427 A HA -0.206 4.115 4.320 0.001 0.000 0.221 427 A C 1.617 179.202 177.584 0.002 0.000 1.161 427 A CA 1.761 53.800 52.037 0.003 0.000 0.653 427 A CB -0.220 18.782 19.000 0.003 0.000 0.802 427 A HN 0.354 nan 8.150 nan 0.000 0.457 428 D N -1.378 119.023 120.400 0.002 0.000 2.369 428 D HA 0.174 4.815 4.640 0.001 0.000 0.211 428 D C 0.032 176.333 176.300 0.001 0.000 1.077 428 D CA -0.280 53.721 54.000 0.001 0.000 0.842 428 D CB -0.018 40.783 40.800 0.001 0.000 0.947 428 D HN 0.264 nan 8.370 nan 0.000 0.509 429 L N 1.876 123.100 121.223 0.002 0.000 2.540 429 L HA 0.055 4.396 4.340 0.001 0.000 0.276 429 L C 0.445 177.316 176.870 0.002 0.000 1.212 429 L CA 0.790 55.631 54.840 0.001 0.000 0.893 429 L CB 0.069 42.129 42.059 0.001 0.000 1.138 429 L HN -0.164 nan 8.230 nan 0.000 0.491 430 R N 2.676 123.177 120.500 0.001 0.000 2.836 430 R HA 0.708 5.049 4.340 0.001 0.000 0.269 430 R C -0.277 176.024 176.300 0.002 0.000 1.010 430 R CA -0.529 55.572 56.100 0.002 0.000 0.930 430 R CB 1.658 31.959 30.300 0.001 0.000 1.218 430 R HN 0.775 nan 8.270 nan 0.000 0.473 431 G N -0.298 108.503 108.800 0.002 0.000 2.938 431 G HA2 0.208 4.168 3.960 0.001 0.000 0.258 431 G HA3 0.208 4.168 3.960 0.001 0.000 0.258 431 G C 0.094 174.995 174.900 0.002 0.000 1.356 431 G CA -0.414 44.688 45.100 0.002 0.000 1.052 431 G HN 0.470 nan 8.290 nan 0.000 0.550 432 Q N -0.191 119.611 119.800 0.003 0.000 2.500 432 Q HA 0.092 4.433 4.340 0.001 0.000 0.213 432 Q C 0.363 176.365 176.000 0.002 0.000 0.974 432 Q CA 0.834 56.639 55.803 0.002 0.000 0.918 432 Q CB -0.156 28.584 28.738 0.003 0.000 0.980 432 Q HN 0.531 nan 8.270 nan 0.000 0.505 433 N N -1.538 117.164 118.700 0.003 0.000 3.127 433 N HA -0.026 4.715 4.740 0.001 0.000 0.239 433 N C -0.190 175.322 175.510 0.003 0.000 1.407 433 N CA -0.438 52.614 53.050 0.003 0.000 0.891 433 N CB 0.909 39.398 38.487 0.003 0.000 1.447 433 N HN -0.143 nan 8.380 nan 0.000 0.507 434 E N 0.451 120.653 120.200 0.003 0.000 2.085 434 E HA -0.141 4.209 4.350 0.001 0.000 0.194 434 E C 0.467 177.069 176.600 0.003 0.000 0.994 434 E CA 1.912 58.314 56.400 0.003 0.000 0.801 434 E CB -0.273 29.429 29.700 0.002 0.000 0.743 434 E HN 0.586 nan 8.360 nan 0.000 0.453 435 D N 0.318 120.720 120.400 0.004 0.000 2.127 435 D HA -0.219 4.422 4.640 0.001 0.000 0.190 435 D C 1.956 178.259 176.300 0.005 0.000 1.000 435 D CA 1.463 55.466 54.000 0.005 0.000 0.839 435 D CB -0.477 40.326 40.800 0.005 0.000 0.955 435 D HN 0.346 nan 8.370 nan 0.000 0.446 436 Q N -0.160 119.643 119.800 0.005 0.000 2.248 436 Q HA -0.161 4.179 4.340 0.001 0.000 0.208 436 Q C 1.708 177.710 176.000 0.004 0.000 0.984 436 Q CA 0.940 56.745 55.803 0.005 0.000 0.875 436 Q CB -0.014 28.727 28.738 0.004 0.000 0.910 436 Q HN 0.272 nan 8.270 nan 0.000 0.433 437 N N -0.518 118.185 118.700 0.004 0.000 2.171 437 N HA -0.098 4.643 4.740 0.001 0.000 0.184 437 N C 1.741 177.253 175.510 0.004 0.000 1.021 437 N CA 0.900 53.952 53.050 0.003 0.000 0.854 437 N CB -0.209 38.279 38.487 0.003 0.000 0.994 437 N HN 0.046 nan 8.380 nan 0.000 0.426 438 V N 0.765 120.682 119.914 0.004 0.000 2.490 438 V HA -0.117 4.004 4.120 0.001 0.000 0.250 438 V C 2.363 178.460 176.094 0.005 0.000 1.061 438 V CA 1.896 64.199 62.300 0.004 0.000 1.064 438 V CB -1.181 30.645 31.823 0.005 0.000 0.670 438 V HN 0.333 nan 8.190 nan 0.000 0.461 439 G N -0.154 108.649 108.800 0.006 0.000 2.422 439 G HA2 -0.197 3.764 3.960 0.001 0.000 0.218 439 G HA3 -0.197 3.764 3.960 0.001 0.000 0.218 439 G C 1.581 176.484 174.900 0.006 0.000 1.146 439 G CA 0.884 45.988 45.100 0.006 0.000 0.769 439 G HN 0.491 nan 8.290 nan 0.000 0.547 440 I N -0.115 120.458 120.570 0.005 0.000 2.202 440 I HA -0.059 4.111 4.170 0.001 0.000 0.242 440 I C 2.716 178.836 176.117 0.005 0.000 1.091 440 I CA 0.982 62.285 61.300 0.004 0.000 1.368 440 I CB -0.016 37.986 38.000 0.003 0.000 1.058 440 I HN -0.017 nan 8.210 nan 0.000 0.410 441 K N 0.463 120.866 120.400 0.005 0.000 2.147 441 K HA -0.091 4.230 4.320 0.001 0.000 0.205 441 K C 1.940 178.544 176.600 0.006 0.000 1.049 441 K CA 0.857 57.147 56.287 0.005 0.000 0.936 441 K CB -0.541 31.962 32.500 0.004 0.000 0.722 441 K HN 0.070 nan 8.250 nan 0.000 0.446 442 V N 0.627 120.545 119.914 0.006 0.000 2.231 442 V HA -0.349 3.772 4.120 0.001 0.000 0.248 442 V C 2.165 178.264 176.094 0.008 0.000 1.054 442 V CA 2.296 64.601 62.300 0.007 0.000 1.015 442 V CB -0.744 31.084 31.823 0.008 0.000 0.638 442 V HN 0.438 nan 8.190 nan 0.000 0.444 443 A N -0.765 122.060 122.820 0.008 0.000 1.898 443 A HA -0.131 4.190 4.320 0.001 0.000 0.216 443 A C 2.152 179.740 177.584 0.008 0.000 1.181 443 A CA 1.713 53.755 52.037 0.008 0.000 0.620 443 A CB -0.533 18.470 19.000 0.006 0.000 0.819 443 A HN 0.530 nan 8.150 nan 0.000 0.442 444 L N -1.293 119.934 121.223 0.007 0.000 2.127 444 L HA -0.194 4.147 4.340 0.001 0.000 0.211 444 L C 2.827 179.702 176.870 0.008 0.000 1.089 444 L CA 1.602 56.446 54.840 0.007 0.000 0.757 444 L CB -0.525 41.538 42.059 0.006 0.000 0.899 444 L HN 0.415 nan 8.230 nan 0.000 0.434 445 R N 0.016 120.520 120.500 0.008 0.000 2.062 445 R HA -0.095 4.245 4.340 0.001 0.000 0.229 445 R C 2.440 178.746 176.300 0.009 0.000 1.128 445 R CA 1.233 57.338 56.100 0.008 0.000 0.960 445 R CB -0.244 30.060 30.300 0.007 0.000 0.855 445 R HN 0.328 nan 8.270 nan 0.000 0.432 446 A N 0.606 123.432 122.820 0.010 0.000 1.978 446 A HA -0.209 4.112 4.320 0.001 0.000 0.220 446 A C 2.047 179.639 177.584 0.013 0.000 1.170 446 A CA 1.405 53.449 52.037 0.012 0.000 0.636 446 A CB -0.440 18.568 19.000 0.013 0.000 0.810 446 A HN 0.313 nan 8.150 nan 0.000 0.448 447 M N -0.468 119.139 119.600 0.012 0.000 2.530 447 M HA -0.171 4.310 4.480 0.001 0.000 0.261 447 M C 1.362 177.671 176.300 0.016 0.000 1.067 447 M CA 1.242 56.550 55.300 0.014 0.000 1.071 447 M CB -0.197 32.411 32.600 0.012 0.000 1.405 447 M HN 0.472 nan 8.290 nan 0.000 0.478 448 E N -0.801 119.407 120.200 0.015 0.000 2.489 448 E HA 0.026 4.377 4.350 0.001 0.000 0.193 448 E C 1.848 178.457 176.600 0.015 0.000 1.057 448 E CA 0.346 56.755 56.400 0.015 0.000 0.866 448 E CB 0.120 29.827 29.700 0.012 0.000 0.916 448 E HN 0.522 nan 8.360 nan 0.000 0.500 449 A N 2.262 125.092 122.820 0.015 0.000 1.855 449 A HA -0.071 4.249 4.320 0.001 0.000 0.215 449 A C -0.317 177.277 177.584 0.017 0.000 1.191 449 A CA 0.941 52.987 52.037 0.014 0.000 0.613 449 A CB -1.325 17.683 19.000 0.015 0.000 0.829 449 A HN 0.099 nan 8.150 nan 0.000 0.442 450 P HA -0.157 nan 4.420 nan 0.000 0.216 450 P C 1.739 179.054 177.300 0.026 0.000 1.150 450 P CA 0.873 63.986 63.100 0.022 0.000 0.837 450 P CB -0.073 31.642 31.700 0.024 0.000 0.786 451 L N -0.956 120.284 121.223 0.028 0.000 2.056 451 L HA -0.113 4.227 4.340 0.001 0.000 0.207 451 L C 2.294 179.179 176.870 0.024 0.000 1.078 451 L CA 1.590 56.452 54.840 0.036 0.000 0.749 451 L CB -0.159 41.923 42.059 0.040 0.000 0.901 451 L HN -0.192 nan 8.230 nan 0.000 0.433 452 R N -0.891 119.618 120.500 0.014 0.000 2.189 452 R HA -0.109 4.232 4.340 0.001 0.000 0.223 452 R C 2.264 178.568 176.300 0.006 0.000 1.092 452 R CA 0.798 56.900 56.100 0.004 0.000 0.989 452 R CB -0.029 30.272 30.300 0.002 0.000 0.876 452 R HN 0.407 nan 8.270 nan 0.000 0.457 453 Q N 0.124 119.932 119.800 0.013 0.000 2.212 453 Q HA 0.021 4.362 4.340 0.001 0.000 0.199 453 Q C 2.050 178.062 176.000 0.020 0.000 0.950 453 Q CA 0.943 56.754 55.803 0.014 0.000 0.863 453 Q CB 0.225 28.971 28.738 0.014 0.000 0.944 453 Q HN 0.399 nan 8.270 nan 0.000 0.465 454 I N 0.009 120.596 120.570 0.029 0.000 2.286 454 I HA -0.233 3.938 4.170 0.001 0.000 0.248 454 I C 2.090 178.239 176.117 0.053 0.000 1.115 454 I CA 0.870 62.196 61.300 0.042 0.000 1.392 454 I CB -0.074 37.960 38.000 0.056 0.000 1.065 454 I HN -0.018 nan 8.210 nan 0.000 0.418 455 V N 0.343 120.283 119.914 0.042 0.000 2.548 455 V HA -0.212 3.908 4.120 0.001 0.000 0.249 455 V C 2.237 178.341 176.094 0.016 0.000 1.055 455 V CA 1.056 63.374 62.300 0.030 0.000 1.065 455 V CB -0.237 31.560 31.823 -0.043 0.000 0.681 455 V HN 0.306 nan 8.190 nan 0.000 0.462 456 L N 0.480 121.708 121.223 0.009 0.000 2.156 456 L HA -0.037 4.304 4.340 0.001 0.000 0.208 456 L C 1.985 178.861 176.870 0.010 0.000 1.095 456 L CA 1.770 56.612 54.840 0.005 0.000 0.770 456 L CB -0.944 41.117 42.059 0.003 0.000 0.914 456 L HN 0.380 nan 8.230 nan 0.000 0.439 457 N N -1.978 116.732 118.700 0.016 0.000 2.453 457 N HA -0.163 4.578 4.740 0.001 0.000 0.183 457 N C 1.306 176.827 175.510 0.018 0.000 1.041 457 N CA 1.106 54.165 53.050 0.015 0.000 0.900 457 N CB -0.111 38.385 38.487 0.015 0.000 0.961 457 N HN 0.382 nan 8.380 nan 0.000 0.443 458 C N -0.143 119.174 119.300 0.029 0.000 2.697 458 C HA 0.286 4.746 4.460 0.001 0.000 0.267 458 C C 1.691 176.697 174.990 0.026 0.000 1.278 458 C CA -0.153 58.885 59.018 0.035 0.000 1.708 458 C CB -0.841 26.941 27.740 0.070 0.000 1.860 458 C HN 0.612 nan 8.230 nan 0.000 0.589 459 G N 1.634 110.444 108.800 0.016 0.000 2.153 459 G HA2 -0.224 3.737 3.960 0.001 0.000 0.252 459 G HA3 -0.224 3.737 3.960 0.001 0.000 0.252 459 G C -0.224 174.680 174.900 0.007 0.000 0.994 459 G CA 0.541 45.647 45.100 0.010 0.000 0.698 459 G HN 0.622 nan 8.290 nan 0.000 0.521 460 E N -0.255 119.947 120.200 0.004 0.000 2.390 460 E HA 0.534 4.885 4.350 0.001 0.000 0.249 460 E C -0.054 176.527 176.600 -0.033 0.000 0.981 460 E CA -0.891 55.501 56.400 -0.014 0.000 0.860 460 E CB 0.844 30.528 29.700 -0.026 0.000 1.278 460 E HN 0.380 nan 8.360 nan 0.000 0.416 461 E N 1.713 121.886 120.200 -0.046 0.000 2.052 461 E HA 0.080 4.430 4.350 0.001 0.000 0.283 461 E C -1.955 174.609 176.600 -0.060 0.000 1.071 461 E CA -1.586 54.789 56.400 -0.041 0.000 0.851 461 E CB 0.692 30.374 29.700 -0.029 0.000 1.066 461 E HN 0.237 nan 8.360 nan 0.000 0.396 462 P HA -0.215 nan 4.420 nan 0.000 0.216 462 P C 1.158 178.432 177.300 -0.043 0.000 1.150 462 P CA 1.353 64.425 63.100 -0.047 0.000 0.843 462 P CB 0.197 31.883 31.700 -0.023 0.000 0.787 463 S N -2.420 113.261 115.700 -0.031 0.000 2.528 463 S HA 0.051 4.522 4.470 0.001 0.000 0.219 463 S C 1.815 176.400 174.600 -0.026 0.000 0.985 463 S CA 0.134 58.321 58.200 -0.022 0.000 0.914 463 S CB -0.950 62.242 63.200 -0.014 0.000 0.776 463 S HN -0.044 nan 8.310 nan 0.000 0.526 464 V N 1.234 121.127 119.914 -0.035 0.000 2.374 464 V HA -0.022 4.099 4.120 0.001 0.000 0.241 464 V C 2.456 178.526 176.094 -0.039 0.000 1.034 464 V CA 0.984 63.266 62.300 -0.030 0.000 1.037 464 V CB -0.418 31.392 31.823 -0.023 0.000 0.682 464 V HN 0.371 nan 8.190 nan 0.000 0.463 465 V N 0.657 120.518 119.914 -0.087 0.000 2.252 465 V HA -0.325 3.795 4.120 0.001 0.000 0.249 465 V C 2.777 178.848 176.094 -0.038 0.000 1.056 465 V CA 2.363 64.594 62.300 -0.115 0.000 1.022 465 V CB -1.207 30.367 31.823 -0.416 0.000 0.641 465 V HN 0.565 nan 8.190 nan 0.000 0.445 466 A N 0.220 123.016 122.820 -0.039 0.000 1.884 466 A HA -0.340 3.981 4.320 0.001 0.000 0.219 466 A C 2.038 179.621 177.584 -0.001 0.000 1.197 466 A CA 2.560 54.593 52.037 -0.006 0.000 0.637 466 A CB -0.943 18.054 19.000 -0.005 0.000 0.827 466 A HN 0.605 nan 8.150 nan 0.000 0.450 467 N N -0.507 118.185 118.700 -0.013 0.000 2.061 467 N HA -0.153 4.588 4.740 0.001 0.000 0.193 467 N C 1.997 177.494 175.510 -0.022 0.000 1.030 467 N CA 2.410 55.452 53.050 -0.013 0.000 0.856 467 N CB -0.749 37.727 38.487 -0.019 0.000 1.023 467 N HN 0.746 nan 8.380 nan 0.000 0.424 468 T N -2.130 112.390 114.554 -0.056 0.000 2.985 468 T HA 0.033 4.384 4.350 0.001 0.000 0.266 468 T C 1.981 176.668 174.700 -0.020 0.000 1.076 468 T CA 0.774 62.808 62.100 -0.109 0.000 1.135 468 T CB -0.512 68.174 68.868 -0.304 0.000 0.890 468 T HN -0.075 nan 8.240 nan 0.000 0.480 469 V N 1.556 121.473 119.914 0.005 0.000 2.358 469 V HA -0.105 4.016 4.120 0.001 0.000 0.246 469 V C 2.831 179.001 176.094 0.127 0.000 1.047 469 V CA 1.819 64.173 62.300 0.090 0.000 1.035 469 V CB -0.637 31.232 31.823 0.077 0.000 0.658 469 V HN 0.477 nan 8.190 nan 0.000 0.452 470 K N 0.464 120.903 120.400 0.064 0.000 2.032 470 K HA -0.159 4.161 4.320 0.001 0.000 0.209 470 K C 2.184 178.813 176.600 0.048 0.000 1.048 470 K CA 1.624 57.940 56.287 0.049 0.000 0.927 470 K CB -0.800 31.715 32.500 0.024 0.000 0.712 470 K HN 0.552 nan 8.250 nan 0.000 0.441 471 G N 0.433 109.253 108.800 0.033 0.000 2.537 471 G HA2 -0.160 3.801 3.960 0.001 0.000 0.220 471 G HA3 -0.160 3.801 3.960 0.001 0.000 0.220 471 G C 0.761 175.648 174.900 -0.022 0.000 1.111 471 G CA 0.947 46.049 45.100 0.004 0.000 0.748 471 G HN 0.413 nan 8.290 nan 0.000 0.564 472 G N -1.183 107.640 108.800 0.038 0.000 2.773 472 G HA2 0.511 4.471 3.960 0.001 0.000 0.186 472 G HA3 0.511 4.471 3.960 0.001 0.000 0.186 472 G C -1.142 173.755 174.900 -0.006 0.000 1.411 472 G CA -0.259 44.788 45.100 -0.088 0.000 1.054 472 G HN 0.122 nan 8.290 nan 0.000 0.579 473 D N -2.590 117.817 120.400 0.012 0.000 2.655 473 D HA 0.503 5.143 4.640 0.001 0.000 0.229 473 D C 0.832 177.171 176.300 0.066 0.000 1.229 473 D CA 0.731 54.743 54.000 0.020 0.000 0.807 473 D CB 1.699 42.478 40.800 -0.034 0.000 1.514 473 D HN 0.876 nan 8.370 nan 0.000 0.444 474 G N 1.881 110.712 108.800 0.052 0.000 2.660 474 G HA2 -0.373 3.587 3.960 0.001 0.000 0.321 474 G HA3 -0.373 3.587 3.960 0.001 0.000 0.321 474 G C 0.444 175.398 174.900 0.090 0.000 1.246 474 G CA 0.658 45.793 45.100 0.058 0.000 1.000 474 G HN 0.651 nan 8.290 nan 0.000 0.550 475 N N -0.045 118.717 118.700 0.103 0.000 2.279 475 N HA 0.259 5.000 4.740 0.001 0.000 0.226 475 N C -0.091 175.519 175.510 0.168 0.000 1.126 475 N CA -0.249 52.867 53.050 0.109 0.000 0.846 475 N CB 0.422 38.956 38.487 0.078 0.000 1.050 475 N HN 0.448 nan 8.380 nan 0.000 0.502 476 Y N 1.679 122.009 120.300 0.049 0.000 2.442 476 Y HA 0.412 4.962 4.550 0.001 0.000 0.330 476 Y C 0.511 176.476 175.900 0.108 0.000 1.129 476 Y CA 0.031 58.174 58.100 0.072 0.000 1.365 476 Y CB 0.498 38.990 38.460 0.053 0.000 1.233 476 Y HN 0.008 nan 8.280 nan 0.000 0.529 477 G N 3.991 112.654 108.800 -0.228 0.000 2.600 477 G HA2 0.295 4.256 3.960 0.001 0.000 0.293 477 G HA3 0.295 4.256 3.960 0.001 0.000 0.293 477 G C -2.554 172.315 174.900 -0.050 0.000 1.408 477 G CA -0.932 44.107 45.100 -0.102 0.000 0.782 477 G HN 0.558 nan 8.290 nan 0.000 0.482 478 Y N 1.494 121.732 120.300 -0.104 0.000 2.328 478 Y HA 0.573 5.124 4.550 0.001 0.000 0.337 478 Y C -0.007 175.784 175.900 -0.180 0.000 1.008 478 Y CA -1.587 56.393 58.100 -0.201 0.000 1.129 478 Y CB 1.557 39.914 38.460 -0.171 0.000 1.185 478 Y HN 0.426 nan 8.280 nan 0.000 0.476 479 N N 4.851 123.128 118.700 -0.705 0.000 2.439 479 N HA 0.173 4.913 4.740 0.001 0.000 0.243 479 N C 0.482 175.373 175.510 -1.031 0.000 1.088 479 N CA 0.591 53.262 53.050 -0.632 0.000 0.940 479 N CB 1.302 39.543 38.487 -0.410 0.000 1.180 479 N HN 0.924 nan 8.380 nan 0.000 0.505 480 A N 3.946 126.369 122.820 -0.660 0.000 1.972 480 A HA -0.086 4.235 4.320 0.001 0.000 0.219 480 A C 2.061 179.483 177.584 -0.270 0.000 1.169 480 A CA 1.780 53.578 52.037 -0.398 0.000 0.635 480 A CB -0.529 18.437 19.000 -0.056 0.000 0.810 480 A HN 0.710 nan 8.150 nan 0.000 0.446 481 A N -0.442 122.240 122.820 -0.230 0.000 1.873 481 A HA -0.048 4.273 4.320 0.001 0.000 0.215 481 A C 2.217 179.700 177.584 -0.169 0.000 1.186 481 A CA 2.235 54.181 52.037 -0.153 0.000 0.616 481 A CB -0.988 17.945 19.000 -0.113 0.000 0.823 481 A HN 0.795 nan 8.150 nan 0.000 0.442 482 T N -2.040 112.375 114.554 -0.233 0.000 3.105 482 T HA 0.226 4.577 4.350 0.001 0.000 0.253 482 T C 0.216 174.780 174.700 -0.227 0.000 1.047 482 T CA 0.551 62.539 62.100 -0.186 0.000 0.944 482 T CB -0.358 68.413 68.868 -0.163 0.000 1.016 482 T HN 0.667 nan 8.240 nan 0.000 0.544 483 E N 1.577 121.568 120.200 -0.349 0.000 2.365 483 E HA -0.262 4.089 4.350 0.001 0.000 0.237 483 E C -0.449 175.952 176.600 -0.331 0.000 1.238 483 E CA 0.996 57.187 56.400 -0.348 0.000 0.718 483 E CB -2.432 27.244 29.700 -0.041 0.000 1.218 483 E HN 0.960 nan 8.360 nan 0.000 0.387 484 E N -0.623 119.285 120.200 -0.488 0.000 2.367 484 E HA 0.517 4.868 4.350 0.001 0.000 0.273 484 E C -0.789 175.581 176.600 -0.385 0.000 0.903 484 E CA -1.093 55.101 56.400 -0.343 0.000 0.764 484 E CB 0.867 30.499 29.700 -0.113 0.000 1.252 484 E HN 0.092 nan 8.360 nan 0.000 0.446 485 Y N 0.429 120.728 120.300 -0.000 0.000 2.357 485 Y HA 0.534 5.084 4.550 0.001 0.000 0.340 485 Y C 1.209 177.072 175.900 -0.061 0.000 1.260 485 Y CA 1.201 59.245 58.100 -0.093 0.000 1.425 485 Y CB 1.352 39.740 38.460 -0.119 0.000 1.326 485 Y HN 0.838 nan 8.280 nan 0.000 0.580 486 G N 0.658 109.486 108.800 0.047 0.000 2.335 486 G HA2 -0.000 3.960 3.960 0.001 0.000 0.291 486 G HA3 -0.000 3.960 3.960 0.001 0.000 0.291 486 G C -1.875 173.119 174.900 0.157 0.000 1.261 486 G CA -1.154 44.038 45.100 0.152 0.000 0.871 486 G HN 0.524 nan 8.290 nan 0.000 0.491 487 N N 1.249 120.032 118.700 0.139 0.000 2.406 487 N HA 0.127 4.867 4.740 0.001 0.000 0.251 487 N C 1.785 177.327 175.510 0.054 0.000 1.069 487 N CA -0.488 52.630 53.050 0.113 0.000 0.947 487 N CB 0.817 39.361 38.487 0.095 0.000 1.111 487 N HN 0.416 nan 8.380 nan 0.000 0.497 488 M N 3.355 122.981 119.600 0.044 0.000 2.202 488 M HA -0.161 4.320 4.480 0.001 0.000 0.262 488 M C 1.524 177.833 176.300 0.016 0.000 1.063 488 M CA 1.062 56.371 55.300 0.015 0.000 1.097 488 M CB -0.464 32.145 32.600 0.015 0.000 1.382 488 M HN 0.524 nan 8.290 nan 0.000 0.413 489 I N 0.678 121.264 120.570 0.026 0.000 2.286 489 I HA -0.218 3.953 4.170 0.001 0.000 0.245 489 I C 1.816 177.942 176.117 0.015 0.000 1.104 489 I CA 1.284 62.596 61.300 0.019 0.000 1.397 489 I CB -1.288 36.726 38.000 0.023 0.000 1.072 489 I HN 0.239 nan 8.210 nan 0.000 0.417 490 D N 0.772 121.184 120.400 0.020 0.000 2.178 490 D HA -0.157 4.484 4.640 0.001 0.000 0.201 490 D C 2.130 178.434 176.300 0.006 0.000 0.980 490 D CA 1.139 55.148 54.000 0.016 0.000 0.842 490 D CB -0.116 40.698 40.800 0.024 0.000 0.948 490 D HN 0.335 nan 8.370 nan 0.000 0.472 491 M N -0.559 119.041 119.600 0.001 0.000 2.618 491 M HA 0.135 4.616 4.480 0.001 0.000 0.240 491 M C 1.064 177.353 176.300 -0.018 0.000 1.123 491 M CA 0.464 55.755 55.300 -0.015 0.000 1.060 491 M CB 0.295 32.876 32.600 -0.031 0.000 1.535 491 M HN 0.030 nan 8.290 nan 0.000 0.507 492 G N 2.236 111.031 108.800 -0.008 0.000 2.225 492 G HA2 -0.249 3.711 3.960 0.001 0.000 0.267 492 G HA3 -0.249 3.711 3.960 0.001 0.000 0.267 492 G C 0.125 175.019 174.900 -0.011 0.000 1.024 492 G CA -0.098 44.997 45.100 -0.007 0.000 0.784 492 G HN 0.587 nan 8.290 nan 0.000 0.507 493 I N 1.313 121.874 120.570 -0.014 0.000 2.191 493 I HA 0.276 4.447 4.170 0.001 0.000 0.289 493 I C 0.631 176.747 176.117 -0.002 0.000 1.141 493 I CA -0.186 61.105 61.300 -0.014 0.000 1.430 493 I CB -0.049 37.935 38.000 -0.027 0.000 1.497 493 I HN 0.030 nan 8.210 nan 0.000 0.636 494 L N 3.476 124.700 121.223 0.002 0.000 2.282 494 L HA 0.497 4.837 4.340 0.001 0.000 0.288 494 L C -0.431 176.445 176.870 0.011 0.000 1.033 494 L CA -0.753 54.092 54.840 0.009 0.000 0.807 494 L CB 1.104 43.168 42.059 0.009 0.000 1.209 494 L HN 0.275 nan 8.230 nan 0.000 0.423 495 D N 3.742 124.151 120.400 0.014 0.000 2.210 495 D HA 0.356 4.997 4.640 0.001 0.000 0.249 495 D C -2.421 173.890 176.300 0.019 0.000 1.062 495 D CA -1.543 52.468 54.000 0.018 0.000 0.891 495 D CB 1.670 42.481 40.800 0.019 0.000 1.186 495 D HN 0.224 nan 8.370 nan 0.000 0.432 496 P HA 0.135 nan 4.420 nan 0.000 0.281 496 P C 0.676 177.989 177.300 0.022 0.000 1.252 496 P CA -0.212 62.903 63.100 0.024 0.000 0.778 496 P CB 0.845 32.564 31.700 0.031 0.000 0.895 497 T N 2.790 117.355 114.554 0.018 0.000 2.607 497 T HA -0.245 4.106 4.350 0.001 0.000 0.267 497 T C 1.636 176.343 174.700 0.012 0.000 1.049 497 T CA 1.524 63.632 62.100 0.013 0.000 1.162 497 T CB -0.538 68.336 68.868 0.010 0.000 0.863 497 T HN 0.505 nan 8.240 nan 0.000 0.424 498 K N 0.778 121.187 120.400 0.015 0.000 2.207 498 K HA -0.193 4.128 4.320 0.001 0.000 0.208 498 K C 2.276 178.892 176.600 0.026 0.000 1.046 498 K CA 1.753 58.051 56.287 0.017 0.000 0.929 498 K CB -0.390 32.127 32.500 0.027 0.000 0.720 498 K HN 0.366 nan 8.250 nan 0.000 0.463 499 V N -0.657 119.276 119.914 0.032 0.000 2.407 499 V HA -0.126 3.995 4.120 0.001 0.000 0.245 499 V C 1.705 177.818 176.094 0.031 0.000 1.041 499 V CA 2.185 64.510 62.300 0.040 0.000 1.040 499 V CB -0.527 31.322 31.823 0.043 0.000 0.671 499 V HN 0.347 nan 8.190 nan 0.000 0.455 500 T N 0.785 115.352 114.554 0.021 0.000 2.759 500 T HA -0.177 4.173 4.350 0.001 0.000 0.269 500 T C 2.045 176.747 174.700 0.003 0.000 1.042 500 T CA 2.040 64.149 62.100 0.016 0.000 1.140 500 T CB -0.408 68.468 68.868 0.013 0.000 0.864 500 T HN 0.520 nan 8.240 nan 0.000 0.455 501 R N 0.784 121.279 120.500 -0.008 0.000 2.093 501 R HA 0.068 4.409 4.340 0.001 0.000 0.224 501 R C 2.425 178.678 176.300 -0.078 0.000 1.101 501 R CA 1.212 57.290 56.100 -0.037 0.000 0.979 501 R CB -0.496 29.780 30.300 -0.039 0.000 0.877 501 R HN 0.270 nan 8.270 nan 0.000 0.441 502 S N 1.044 116.709 115.700 -0.058 0.000 2.355 502 S HA -0.055 4.416 4.470 0.001 0.000 0.222 502 S C 2.070 176.666 174.600 -0.006 0.000 1.031 502 S CA 1.085 59.217 58.200 -0.114 0.000 0.993 502 S CB -0.262 62.983 63.200 0.075 0.000 0.859 502 S HN 0.528 nan 8.310 nan 0.000 0.453 503 A N 1.999 124.866 122.820 0.079 0.000 1.896 503 A HA -0.177 4.144 4.320 0.001 0.000 0.220 503 A C 2.117 179.730 177.584 0.049 0.000 1.206 503 A CA 1.657 53.747 52.037 0.089 0.000 0.647 503 A CB -1.041 17.995 19.000 0.059 0.000 0.828 503 A HN 0.466 nan 8.150 nan 0.000 0.455 504 L N -0.850 120.375 121.223 0.003 0.000 1.994 504 L HA -0.272 4.069 4.340 0.001 0.000 0.208 504 L C 2.887 179.734 176.870 -0.038 0.000 1.071 504 L CA 2.305 57.138 54.840 -0.011 0.000 0.745 504 L CB -0.737 41.307 42.059 -0.024 0.000 0.892 504 L HN 0.577 nan 8.230 nan 0.000 0.431 505 Q N -1.035 118.690 119.800 -0.125 0.000 2.014 505 Q HA -0.277 4.064 4.340 0.001 0.000 0.207 505 Q C 2.063 177.986 176.000 -0.129 0.000 0.993 505 Q CA 2.296 57.977 55.803 -0.204 0.000 0.850 505 Q CB -0.332 28.167 28.738 -0.398 0.000 0.916 505 Q HN 0.486 nan 8.270 nan 0.000 0.417 506 Y N -0.271 120.033 120.300 0.006 0.000 2.263 506 Y HA -0.113 4.438 4.550 0.001 0.000 0.292 506 Y C 2.304 178.207 175.900 0.005 0.000 1.130 506 Y CA 0.806 58.909 58.100 0.005 0.000 1.179 506 Y CB -0.776 37.686 38.460 0.003 0.000 0.998 506 Y HN 0.150 nan 8.280 nan 0.000 0.532 507 A N -0.031 122.888 122.820 0.164 0.000 1.873 507 A HA -0.060 4.260 4.320 0.001 0.000 0.215 507 A C 2.484 180.108 177.584 0.067 0.000 1.186 507 A CA 1.779 53.874 52.037 0.097 0.000 0.616 507 A CB -1.234 17.806 19.000 0.067 0.000 0.823 507 A HN 0.357 nan 8.150 nan 0.000 0.442 508 A N -0.675 122.173 122.820 0.046 0.000 1.933 508 A HA -0.132 4.188 4.320 0.001 0.000 0.218 508 A C 2.477 180.084 177.584 0.038 0.000 1.175 508 A CA 2.228 54.283 52.037 0.030 0.000 0.628 508 A CB -0.995 18.011 19.000 0.010 0.000 0.814 508 A HN 0.610 nan 8.150 nan 0.000 0.444 509 S N -0.861 114.871 115.700 0.053 0.000 2.400 509 S HA -0.140 4.331 4.470 0.001 0.000 0.232 509 S C 1.950 176.586 174.600 0.060 0.000 1.025 509 S CA 2.036 60.272 58.200 0.060 0.000 0.993 509 S CB -0.612 62.647 63.200 0.098 0.000 0.808 509 S HN 0.982 nan 8.310 nan 0.000 0.478 510 V N 0.567 120.520 119.914 0.066 0.000 2.391 510 V HA 0.310 4.431 4.120 0.001 0.000 0.237 510 V C 2.458 178.575 176.094 0.038 0.000 1.046 510 V CA 1.384 63.713 62.300 0.048 0.000 1.053 510 V CB -1.405 30.444 31.823 0.043 0.000 0.704 510 V HN 0.448 nan 8.190 nan 0.000 0.475 511 A N 1.192 124.035 122.820 0.037 0.000 1.923 511 A HA -0.254 4.066 4.320 0.001 0.000 0.222 511 A C 2.511 180.111 177.584 0.026 0.000 1.258 511 A CA 3.439 55.494 52.037 0.029 0.000 0.670 511 A CB -1.981 17.036 19.000 0.029 0.000 0.834 511 A HN 1.141 nan 8.150 nan 0.000 0.470 512 G N -0.574 108.242 108.800 0.026 0.000 2.766 512 G HA2 -0.345 3.616 3.960 0.001 0.000 0.222 512 G HA3 -0.345 3.616 3.960 0.001 0.000 0.222 512 G C 1.575 176.489 174.900 0.023 0.000 1.225 512 G CA 1.443 46.557 45.100 0.023 0.000 0.784 512 G HN 0.512 nan 8.290 nan 0.000 0.631 513 L N -0.286 120.953 121.223 0.026 0.000 2.012 513 L HA -0.074 4.267 4.340 0.001 0.000 0.210 513 L C 3.192 180.077 176.870 0.024 0.000 1.073 513 L CA 1.264 56.119 54.840 0.024 0.000 0.748 513 L CB -0.248 41.826 42.059 0.025 0.000 0.891 513 L HN 0.276 nan 8.230 nan 0.000 0.431 514 M N -0.311 119.304 119.600 0.025 0.000 2.202 514 M HA -0.216 4.264 4.480 0.001 0.000 0.262 514 M C 2.075 178.390 176.300 0.025 0.000 1.063 514 M CA 1.704 57.019 55.300 0.025 0.000 1.097 514 M CB -0.346 32.269 32.600 0.025 0.000 1.382 514 M HN 0.380 nan 8.290 nan 0.000 0.413 515 I N -2.641 117.943 120.570 0.023 0.000 3.684 515 I HA 0.013 4.183 4.170 0.001 0.000 0.304 515 I C 1.474 177.604 176.117 0.022 0.000 1.278 515 I CA 0.839 62.152 61.300 0.021 0.000 1.272 515 I CB -0.561 37.451 38.000 0.019 0.000 1.029 515 I HN 0.124 nan 8.210 nan 0.000 0.458 516 T N -2.165 112.404 114.554 0.024 0.000 3.145 516 T HA 0.189 4.540 4.350 0.001 0.000 0.255 516 T C 0.656 175.374 174.700 0.031 0.000 1.039 516 T CA -0.261 61.855 62.100 0.026 0.000 0.928 516 T CB -0.858 68.025 68.868 0.024 0.000 1.029 516 T HN 0.224 nan 8.240 nan 0.000 0.554 517 T N 2.624 117.197 114.554 0.032 0.000 2.902 517 T HA 0.210 4.561 4.350 0.001 0.000 0.301 517 T C 0.762 175.489 174.700 0.045 0.000 1.012 517 T CA 0.021 62.143 62.100 0.036 0.000 1.151 517 T CB 1.301 70.190 68.868 0.034 0.000 0.946 517 T HN 0.395 nan 8.240 nan 0.000 0.542 518 E N 0.503 120.739 120.200 0.059 0.000 2.535 518 E HA 0.207 4.558 4.350 0.001 0.000 0.216 518 E C -0.101 176.577 176.600 0.131 0.000 0.845 518 E CA -0.130 56.327 56.400 0.094 0.000 1.306 518 E CB 0.642 30.402 29.700 0.102 0.000 1.291 518 E HN 0.648 nan 8.360 nan 0.000 0.635 519 C N 0.377 119.713 119.300 0.060 0.000 2.994 519 C HA 0.799 5.259 4.460 0.001 0.000 0.305 519 C C -1.542 173.404 174.990 -0.074 0.000 1.251 519 C CA -0.617 58.359 59.018 -0.070 0.000 1.478 519 C CB 0.678 28.376 27.740 -0.071 0.000 1.922 519 C HN 0.344 nan 8.230 nan 0.000 0.472 520 M N 4.483 124.020 119.600 -0.105 0.000 2.324 520 M HA 0.552 5.033 4.480 0.001 0.000 0.288 520 M C -1.259 175.088 176.300 0.077 0.000 1.097 520 M CA -0.431 54.898 55.300 0.048 0.000 0.928 520 M CB 2.170 34.895 32.600 0.209 0.000 1.648 520 M HN 0.423 nan 8.290 nan 0.000 0.460 521 V N 1.370 121.288 119.914 0.005 0.000 2.604 521 V HA 0.910 5.030 4.120 0.001 0.000 0.305 521 V C -0.228 175.798 176.094 -0.113 0.000 1.043 521 V CA -0.317 61.961 62.300 -0.036 0.000 0.888 521 V CB 2.095 33.889 31.823 -0.049 0.000 0.995 521 V HN 0.969 nan 8.190 nan 0.000 0.429 522 T N 2.019 116.472 114.554 -0.169 0.000 2.654 522 T HA 0.311 4.661 4.350 0.001 0.000 0.303 522 T C -1.926 172.654 174.700 -0.200 0.000 1.656 522 T CA -0.515 61.432 62.100 -0.254 0.000 0.971 522 T CB 1.764 70.331 68.868 -0.502 0.000 1.811 522 T HN 0.610 nan 8.240 nan 0.000 0.483 523 D N 1.145 121.431 120.400 -0.189 0.000 2.312 523 D HA 0.487 5.128 4.640 0.001 0.000 0.248 523 D C 0.098 176.339 176.300 -0.099 0.000 1.086 523 D CA -0.239 53.692 54.000 -0.115 0.000 0.948 523 D CB 0.612 41.358 40.800 -0.090 0.000 1.162 523 D HN 0.456 nan 8.370 nan 0.000 0.446 524 L N 2.760 123.955 121.223 -0.047 0.000 2.485 524 L HA 0.165 4.506 4.340 0.001 0.000 0.275 524 L C -1.434 175.423 176.870 -0.022 0.000 1.207 524 L CA -1.312 53.518 54.840 -0.017 0.000 0.855 524 L CB 0.125 42.183 42.059 -0.001 0.000 1.114 524 L HN 0.319 nan 8.230 nan 0.000 0.485 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 525 P CB 0.000 31.710 31.700 0.017 0.000 0.726