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 1xck_1_E DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 2.008 124.829 122.820 0.001 0.000 2.567 3 A HA 0.498 4.818 4.320 -0.000 0.000 0.240 3 A C 0.356 177.942 177.584 0.004 0.000 1.053 3 A CA 0.498 52.540 52.037 0.007 0.000 0.755 3 A CB -0.115 18.892 19.000 0.011 0.000 0.978 3 A HN 0.623 nan 8.150 nan 0.000 0.507 4 K N 1.171 121.577 120.400 0.011 0.000 2.211 4 K HA 0.461 4.781 4.320 -0.000 0.000 0.237 4 K C -1.060 175.561 176.600 0.035 0.000 1.002 4 K CA -0.689 55.602 56.287 0.007 0.000 0.885 4 K CB 1.241 33.743 32.500 0.005 0.000 1.136 4 K HN 0.716 nan 8.250 nan 0.000 0.448 5 D N 0.908 121.338 120.400 0.050 0.000 2.425 5 D HA 0.309 4.948 4.640 -0.000 0.000 0.240 5 D C -1.320 175.118 176.300 0.230 0.000 1.080 5 D CA -0.548 53.541 54.000 0.148 0.000 0.836 5 D CB 1.121 42.036 40.800 0.193 0.000 1.125 5 D HN 0.048 nan 8.370 nan 0.000 0.525 6 V N 4.432 124.430 119.914 0.140 0.000 2.417 6 V HA 0.469 4.589 4.120 -0.000 0.000 0.291 6 V C 0.267 176.259 176.094 -0.170 0.000 1.024 6 V CA -0.729 61.562 62.300 -0.015 0.000 0.861 6 V CB 1.674 33.436 31.823 -0.102 0.000 0.985 6 V HN 0.358 nan 8.190 nan 0.000 0.436 7 K N 3.670 123.850 120.400 -0.366 0.000 2.316 7 K HA 0.732 5.052 4.320 -0.000 0.000 0.251 7 K C -1.502 174.755 176.600 -0.571 0.000 0.934 7 K CA -0.464 55.552 56.287 -0.451 0.000 0.802 7 K CB 2.359 34.411 32.500 -0.746 0.000 1.171 7 K HN 0.453 nan 8.250 nan 0.000 0.426 8 F N -0.196 119.697 119.950 -0.095 0.000 2.594 8 F HA 0.406 4.933 4.527 -0.000 0.000 0.335 8 F C 1.413 177.178 175.800 -0.059 0.000 1.058 8 F CA -0.058 57.910 58.000 -0.054 0.000 0.981 8 F CB 1.247 40.226 39.000 -0.034 0.000 1.289 8 F HN 0.811 nan 8.300 nan 0.000 0.490 9 G N 1.383 110.296 108.800 0.187 0.000 2.648 9 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.357 9 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.357 9 G C 1.317 176.236 174.900 0.032 0.000 1.342 9 G CA 1.004 46.157 45.100 0.087 0.000 0.978 9 G HN 0.824 nan 8.290 nan 0.000 0.532 10 N N 0.524 119.237 118.700 0.020 0.000 2.094 10 N HA -0.205 4.534 4.740 -0.000 0.000 0.191 10 N C 1.905 177.401 175.510 -0.022 0.000 1.023 10 N CA 2.428 55.478 53.050 -0.000 0.000 0.857 10 N CB -0.387 38.101 38.487 0.000 0.000 1.013 10 N HN 0.591 nan 8.380 nan 0.000 0.426 11 D N 0.187 120.569 120.400 -0.030 0.000 2.133 11 D HA -0.101 4.539 4.640 -0.000 0.000 0.195 11 D C 1.800 178.017 176.300 -0.138 0.000 0.997 11 D CA 1.594 55.549 54.000 -0.076 0.000 0.840 11 D CB -0.297 40.458 40.800 -0.075 0.000 0.947 11 D HN 0.402 nan 8.370 nan 0.000 0.452 12 A N 0.206 122.942 122.820 -0.140 0.000 1.872 12 A HA -0.092 4.228 4.320 -0.000 0.000 0.214 12 A C 2.338 179.877 177.584 -0.075 0.000 1.187 12 A CA 1.279 53.210 52.037 -0.177 0.000 0.614 12 A CB -0.456 18.460 19.000 -0.140 0.000 0.826 12 A HN 0.190 nan 8.150 nan 0.000 0.442 13 R N -0.222 120.255 120.500 -0.038 0.000 2.096 13 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 13 R C 2.155 178.449 176.300 -0.009 0.000 1.127 13 R CA 1.663 57.756 56.100 -0.011 0.000 0.968 13 R CB -0.700 29.598 30.300 -0.002 0.000 0.861 13 R HN 0.596 nan 8.270 nan 0.000 0.440 14 V N -0.494 119.408 119.914 -0.020 0.000 2.407 14 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 14 V C 1.961 178.052 176.094 -0.004 0.000 1.055 14 V CA 1.424 63.717 62.300 -0.012 0.000 1.049 14 V CB -0.424 31.388 31.823 -0.017 0.000 0.662 14 V HN 0.083 nan 8.190 nan 0.000 0.455 15 K N 0.089 120.481 120.400 -0.014 0.000 2.032 15 K HA -0.077 4.243 4.320 -0.000 0.000 0.209 15 K C 2.259 178.890 176.600 0.053 0.000 1.048 15 K CA 2.212 58.513 56.287 0.024 0.000 0.927 15 K CB -0.568 31.947 32.500 0.025 0.000 0.712 15 K HN 0.532 nan 8.250 nan 0.000 0.441 16 M N 0.268 119.896 119.600 0.047 0.000 2.065 16 M HA -0.206 4.274 4.480 -0.000 0.000 0.259 16 M C 2.298 178.616 176.300 0.031 0.000 1.069 16 M CA 1.248 56.576 55.300 0.047 0.000 1.110 16 M CB -0.438 32.185 32.600 0.039 0.000 1.328 16 M HN 0.045 nan 8.290 nan 0.000 0.405 17 L N 0.647 121.882 121.223 0.021 0.000 1.990 17 L HA -0.232 4.108 4.340 -0.000 0.000 0.213 17 L C 2.487 179.366 176.870 0.016 0.000 1.072 17 L CA 2.034 56.883 54.840 0.015 0.000 0.755 17 L CB -0.780 41.285 42.059 0.010 0.000 0.889 17 L HN 0.183 nan 8.230 nan 0.000 0.432 18 R N -0.319 120.191 120.500 0.017 0.000 2.103 18 R HA -0.140 4.200 4.340 -0.000 0.000 0.242 18 R C 2.171 178.483 176.300 0.019 0.000 1.142 18 R CA 1.908 58.019 56.100 0.017 0.000 0.960 18 R CB -1.255 29.056 30.300 0.020 0.000 0.858 18 R HN 0.508 nan 8.270 nan 0.000 0.439 19 G N -0.365 108.450 108.800 0.026 0.000 2.402 19 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 19 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 19 G C 1.413 176.322 174.900 0.015 0.000 1.162 19 G CA 0.848 45.962 45.100 0.023 0.000 0.777 19 G HN 0.378 nan 8.290 nan 0.000 0.539 20 V N 0.074 119.997 119.914 0.015 0.000 2.809 20 V HA -0.041 4.079 4.120 -0.000 0.000 0.256 20 V C 2.080 178.178 176.094 0.008 0.000 1.080 20 V CA 1.980 64.286 62.300 0.011 0.000 1.102 20 V CB -0.460 31.371 31.823 0.012 0.000 0.705 20 V HN 0.203 nan 8.190 nan 0.000 0.475 21 N N 0.848 119.553 118.700 0.009 0.000 2.188 21 N HA -0.076 4.663 4.740 -0.000 0.000 0.184 21 N C 1.800 177.313 175.510 0.004 0.000 1.018 21 N CA 1.756 54.810 53.050 0.006 0.000 0.858 21 N CB -0.305 38.186 38.487 0.007 0.000 0.989 21 N HN 0.513 nan 8.380 nan 0.000 0.426 22 V N 1.661 121.577 119.914 0.005 0.000 2.261 22 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 22 V C 2.431 178.525 176.094 -0.001 0.000 1.047 22 V CA 1.098 63.399 62.300 0.002 0.000 1.015 22 V CB -0.625 31.199 31.823 0.002 0.000 0.642 22 V HN 0.183 nan 8.190 nan 0.000 0.446 23 L N 1.084 122.307 121.223 -0.001 0.000 1.970 23 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 23 L C 2.469 179.337 176.870 -0.003 0.000 1.071 23 L CA 2.624 57.462 54.840 -0.004 0.000 0.751 23 L CB -1.110 40.946 42.059 -0.004 0.000 0.889 23 L HN 0.217 nan 8.230 nan 0.000 0.432 24 A N -0.739 122.080 122.820 -0.000 0.000 1.883 24 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 24 A C 2.003 179.587 177.584 -0.000 0.000 1.186 24 A CA 1.980 54.017 52.037 0.000 0.000 0.624 24 A CB -1.032 17.970 19.000 0.003 0.000 0.822 24 A HN 0.597 nan 8.150 nan 0.000 0.444 25 D N 0.056 120.456 120.400 -0.000 0.000 2.144 25 D HA -0.058 4.582 4.640 -0.000 0.000 0.199 25 D C 2.160 178.459 176.300 -0.002 0.000 0.984 25 D CA 1.516 55.516 54.000 -0.001 0.000 0.834 25 D CB -0.427 40.373 40.800 -0.000 0.000 0.955 25 D HN 0.451 nan 8.370 nan 0.000 0.465 26 A N 0.333 123.151 122.820 -0.004 0.000 1.930 26 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 26 A C 2.466 180.046 177.584 -0.006 0.000 1.175 26 A CA 0.947 52.981 52.037 -0.005 0.000 0.627 26 A CB -0.448 18.547 19.000 -0.007 0.000 0.815 26 A HN 0.155 nan 8.150 nan 0.000 0.443 27 V N 0.979 120.889 119.914 -0.006 0.000 2.446 27 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 27 V C 2.446 178.536 176.094 -0.006 0.000 1.039 27 V CA 1.994 64.290 62.300 -0.007 0.000 1.045 27 V CB -0.516 31.302 31.823 -0.009 0.000 0.681 27 V HN 0.836 nan 8.190 nan 0.000 0.459 28 K N 1.461 121.859 120.400 -0.003 0.000 2.362 28 K HA -0.096 4.224 4.320 -0.000 0.000 0.200 28 K C 1.732 178.331 176.600 -0.002 0.000 1.046 28 K CA 1.672 57.958 56.287 -0.002 0.000 0.952 28 K CB -0.628 31.872 32.500 0.000 0.000 0.753 28 K HN 0.479 nan 8.250 nan 0.000 0.466 29 V N -0.194 119.719 119.914 -0.003 0.000 2.913 29 V HA -0.144 3.975 4.120 -0.000 0.000 0.260 29 V C 2.234 178.326 176.094 -0.003 0.000 1.098 29 V CA 1.676 63.974 62.300 -0.002 0.000 1.121 29 V CB -1.055 30.766 31.823 -0.003 0.000 0.714 29 V HN 0.557 nan 8.190 nan 0.000 0.487 30 T N -2.365 112.186 114.554 -0.005 0.000 3.081 30 T HA 0.210 4.560 4.350 -0.000 0.000 0.255 30 T C 0.658 175.355 174.700 -0.006 0.000 1.113 30 T CA -0.087 62.009 62.100 -0.006 0.000 1.082 30 T CB -0.247 68.616 68.868 -0.008 0.000 0.939 30 T HN 0.336 nan 8.240 nan 0.000 0.506 31 L N 2.687 123.907 121.223 -0.004 0.000 2.490 31 L HA 0.484 4.824 4.340 -0.000 0.000 0.274 31 L C 0.938 177.807 176.870 -0.002 0.000 1.201 31 L CA 1.717 56.555 54.840 -0.003 0.000 0.869 31 L CB -0.603 41.456 42.059 -0.001 0.000 1.123 31 L HN 0.759 nan 8.230 nan 0.000 0.484 32 G N 4.312 113.110 108.800 -0.005 0.000 2.757 32 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.638 32 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.638 32 G C -2.028 172.865 174.900 -0.012 0.000 1.344 32 G CA -0.234 44.862 45.100 -0.006 0.000 0.855 32 G HN 0.623 nan 8.290 nan 0.000 0.537 33 P HA 0.097 nan 4.420 nan 0.000 0.227 33 P C 0.815 178.105 177.300 -0.017 0.000 1.161 33 P CA 0.958 64.044 63.100 -0.024 0.000 0.788 33 P CB 0.201 31.878 31.700 -0.040 0.000 0.822 34 K N 0.591 120.985 120.400 -0.010 0.000 2.576 34 K HA 0.262 4.582 4.320 -0.000 0.000 0.209 34 K C 1.041 177.639 176.600 -0.002 0.000 1.049 34 K CA -0.211 56.073 56.287 -0.005 0.000 1.140 34 K CB 0.198 32.700 32.500 0.003 0.000 0.871 34 K HN 0.055 nan 8.250 nan 0.000 0.479 35 G N 1.562 110.360 108.800 -0.004 0.000 2.484 35 G HA2 0.038 3.998 3.960 -0.000 0.000 0.235 35 G HA3 0.038 3.998 3.960 -0.000 0.000 0.235 35 G C 0.250 175.147 174.900 -0.004 0.000 1.282 35 G CA -0.335 44.762 45.100 -0.004 0.000 0.857 35 G HN 0.077 nan 8.290 nan 0.000 0.571 36 R N 0.647 121.145 120.500 -0.003 0.000 2.541 36 R HA 0.224 4.564 4.340 -0.000 0.000 0.263 36 R C 0.046 176.344 176.300 -0.004 0.000 1.112 36 R CA -0.730 55.368 56.100 -0.003 0.000 1.170 36 R CB 0.244 30.542 30.300 -0.002 0.000 1.167 36 R HN 0.649 nan 8.270 nan 0.000 0.582 37 N N -0.956 117.742 118.700 -0.004 0.000 2.473 37 N HA 0.327 5.067 4.740 -0.000 0.000 0.291 37 N C -1.051 174.456 175.510 -0.005 0.000 1.083 37 N CA -0.472 52.575 53.050 -0.005 0.000 0.951 37 N CB 1.565 40.050 38.487 -0.004 0.000 1.164 37 N HN 0.061 nan 8.380 nan 0.000 0.480 38 V N 2.231 122.142 119.914 -0.006 0.000 2.495 38 V HA 0.326 4.446 4.120 -0.000 0.000 0.298 38 V C -0.354 175.736 176.094 -0.007 0.000 1.031 38 V CA -0.792 61.504 62.300 -0.007 0.000 0.871 38 V CB 1.801 33.619 31.823 -0.008 0.000 0.988 38 V HN 0.335 nan 8.190 nan 0.000 0.432 39 V N 6.523 126.433 119.914 -0.007 0.000 2.364 39 V HA 0.411 4.531 4.120 -0.000 0.000 0.272 39 V C -0.095 175.993 176.094 -0.010 0.000 1.036 39 V CA -0.368 61.928 62.300 -0.007 0.000 0.880 39 V CB 1.205 33.024 31.823 -0.006 0.000 0.991 39 V HN 0.596 nan 8.190 nan 0.000 0.460 40 L N 4.021 125.238 121.223 -0.010 0.000 2.280 40 L HA 0.490 4.829 4.340 -0.000 0.000 0.287 40 L C -0.127 176.734 176.870 -0.015 0.000 1.023 40 L CA -0.517 54.315 54.840 -0.013 0.000 0.819 40 L CB 1.497 43.548 42.059 -0.013 0.000 1.212 40 L HN 0.538 nan 8.230 nan 0.000 0.420 41 D N 3.473 123.861 120.400 -0.021 0.000 2.350 41 D HA 0.213 4.853 4.640 -0.000 0.000 0.249 41 D C -0.585 175.693 176.300 -0.036 0.000 1.119 41 D CA 0.105 54.089 54.000 -0.026 0.000 0.886 41 D CB 0.930 41.711 40.800 -0.031 0.000 1.195 41 D HN 0.319 nan 8.370 nan 0.000 0.437 42 K N 1.348 121.727 120.400 -0.035 0.000 2.292 42 K HA 0.217 4.537 4.320 -0.000 0.000 0.257 42 K C 1.194 177.734 176.600 -0.101 0.000 0.940 42 K CA -0.559 55.699 56.287 -0.048 0.000 0.811 42 K CB 1.640 34.142 32.500 0.004 0.000 1.120 42 K HN 0.383 nan 8.250 nan 0.000 0.428 43 S N 1.999 117.564 115.700 -0.225 0.000 2.402 43 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 43 S C 0.441 174.807 174.600 -0.390 0.000 1.030 43 S CA 1.017 58.981 58.200 -0.393 0.000 1.003 43 S CB -0.350 62.451 63.200 -0.666 0.000 0.813 43 S HN 0.385 nan 8.310 nan 0.000 0.477 44 F N 2.636 122.583 119.950 -0.006 0.000 2.411 44 F HA 0.678 5.205 4.527 -0.000 0.000 0.352 44 F C 1.286 177.083 175.800 -0.005 0.000 1.123 44 F CA -0.303 57.694 58.000 -0.005 0.000 1.044 44 F CB 0.921 39.919 39.000 -0.005 0.000 1.135 44 F HN 0.455 nan 8.300 nan 0.000 0.461 45 G N 1.640 110.553 108.800 0.188 0.000 2.512 45 G HA2 0.139 4.098 3.960 -0.000 0.000 0.240 45 G HA3 0.139 4.098 3.960 -0.000 0.000 0.240 45 G C -0.568 174.367 174.900 0.058 0.000 1.246 45 G CA -0.490 44.671 45.100 0.102 0.000 0.919 45 G HN 1.072 nan 8.290 nan 0.000 0.577 46 A N 1.039 123.884 122.820 0.042 0.000 2.302 46 A HA 0.812 5.132 4.320 -0.000 0.000 0.285 46 A C -1.517 176.079 177.584 0.020 0.000 1.105 46 A CA -0.339 51.713 52.037 0.025 0.000 0.816 46 A CB 0.271 19.283 19.000 0.019 0.000 1.067 46 A HN 0.683 nan 8.150 nan 0.000 0.489 47 P HA 0.260 nan 4.420 nan 0.000 0.271 47 P C -0.335 176.968 177.300 0.005 0.000 1.244 47 P CA 0.051 63.153 63.100 0.004 0.000 0.793 47 P CB 0.421 32.120 31.700 -0.002 0.000 0.984 48 T N 1.462 116.017 114.554 0.002 0.000 2.767 48 T HA 0.505 4.855 4.350 -0.000 0.000 0.284 48 T C 0.181 174.880 174.700 -0.002 0.000 0.973 48 T CA -0.267 61.834 62.100 0.001 0.000 0.996 48 T CB 0.025 68.893 68.868 0.000 0.000 0.927 48 T HN 0.157 nan 8.240 nan 0.000 0.456 49 I N 2.692 123.261 120.570 -0.001 0.000 2.377 49 I HA 0.559 4.729 4.170 -0.000 0.000 0.293 49 I C 0.481 176.596 176.117 -0.004 0.000 0.987 49 I CA -0.487 60.811 61.300 -0.003 0.000 1.185 49 I CB 1.811 39.809 38.000 -0.002 0.000 1.341 49 I HN 0.513 nan 8.210 nan 0.000 0.455 50 T N 4.280 118.830 114.554 -0.006 0.000 2.868 50 T HA 0.392 4.742 4.350 -0.000 0.000 0.306 50 T C -0.239 174.456 174.700 -0.008 0.000 1.224 50 T CA -0.604 61.492 62.100 -0.007 0.000 1.012 50 T CB 1.729 70.592 68.868 -0.008 0.000 1.221 50 T HN 0.684 nan 8.240 nan 0.000 0.499 51 K N 1.190 121.585 120.400 -0.008 0.000 2.469 51 K HA 0.201 4.521 4.320 -0.000 0.000 0.204 51 K C -0.737 175.857 176.600 -0.011 0.000 1.047 51 K CA -0.315 55.967 56.287 -0.009 0.000 1.072 51 K CB 0.566 33.061 32.500 -0.009 0.000 0.863 51 K HN 0.435 nan 8.250 nan 0.000 0.530 52 D N 0.378 120.770 120.400 -0.012 0.000 2.380 52 D HA 0.103 4.743 4.640 -0.000 0.000 0.230 52 D C 1.193 177.483 176.300 -0.016 0.000 1.154 52 D CA -0.127 53.864 54.000 -0.015 0.000 0.859 52 D CB 1.263 42.054 40.800 -0.015 0.000 1.045 52 D HN 0.206 nan 8.370 nan 0.000 0.495 53 G N 2.519 111.309 108.800 -0.016 0.000 2.450 53 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 53 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 53 G C 1.486 176.374 174.900 -0.020 0.000 1.130 53 G CA 0.689 45.779 45.100 -0.017 0.000 0.760 53 G HN 0.487 nan 8.290 nan 0.000 0.557 54 V N 0.907 120.807 119.914 -0.024 0.000 2.427 54 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 54 V C 3.065 179.144 176.094 -0.025 0.000 1.051 54 V CA 2.105 64.388 62.300 -0.028 0.000 1.048 54 V CB -0.360 31.443 31.823 -0.034 0.000 0.666 54 V HN 0.365 nan 8.190 nan 0.000 0.456 55 S N 0.043 115.731 115.700 -0.021 0.000 2.356 55 S HA -0.162 4.308 4.470 -0.000 0.000 0.223 55 S C 2.057 176.646 174.600 -0.018 0.000 1.032 55 S CA 1.514 59.703 58.200 -0.019 0.000 1.005 55 S CB -0.251 62.940 63.200 -0.015 0.000 0.867 55 S HN 0.379 nan 8.310 nan 0.000 0.449 56 V N 2.304 122.208 119.914 -0.017 0.000 2.287 56 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 56 V C 2.706 178.790 176.094 -0.018 0.000 1.053 56 V CA 1.805 64.095 62.300 -0.016 0.000 1.027 56 V CB -1.325 30.490 31.823 -0.014 0.000 0.646 56 V HN 0.550 nan 8.190 nan 0.000 0.447 57 A N -0.489 122.320 122.820 -0.019 0.000 1.940 57 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 57 A C 2.408 179.978 177.584 -0.023 0.000 1.176 57 A CA 2.012 54.036 52.037 -0.021 0.000 0.631 57 A CB -0.617 18.369 19.000 -0.023 0.000 0.814 57 A HN 0.459 nan 8.150 nan 0.000 0.446 58 R N -0.554 119.932 120.500 -0.024 0.000 2.103 58 R HA -0.144 4.196 4.340 -0.000 0.000 0.242 58 R C 1.622 177.907 176.300 -0.026 0.000 1.142 58 R CA 1.548 57.632 56.100 -0.026 0.000 0.960 58 R CB -0.161 30.123 30.300 -0.026 0.000 0.858 58 R HN 0.505 nan 8.270 nan 0.000 0.439 59 E N 0.162 120.348 120.200 -0.024 0.000 2.427 59 E HA -0.044 4.306 4.350 -0.000 0.000 0.196 59 E C 0.319 176.905 176.600 -0.023 0.000 1.028 59 E CA 0.303 56.689 56.400 -0.024 0.000 0.864 59 E CB 0.132 29.819 29.700 -0.022 0.000 0.813 59 E HN 0.210 nan 8.360 nan 0.000 0.514 60 I N 2.104 122.661 120.570 -0.021 0.000 2.436 60 I HA 0.114 4.284 4.170 -0.000 0.000 0.289 60 I C 0.352 176.457 176.117 -0.020 0.000 1.083 60 I CA 0.230 61.518 61.300 -0.019 0.000 1.372 60 I CB 0.011 38.002 38.000 -0.015 0.000 1.408 60 I HN -0.065 nan 8.210 nan 0.000 0.516 61 E N 7.158 127.346 120.200 -0.020 0.000 2.291 61 E HA 0.473 4.823 4.350 -0.000 0.000 0.276 61 E C -1.616 174.973 176.600 -0.020 0.000 0.896 61 E CA -0.599 55.788 56.400 -0.022 0.000 0.774 61 E CB 1.921 31.606 29.700 -0.026 0.000 1.227 61 E HN 0.438 nan 8.360 nan 0.000 0.413 62 L N 3.540 124.752 121.223 -0.017 0.000 2.343 62 L HA 0.359 4.699 4.340 -0.000 0.000 0.275 62 L C 1.529 178.389 176.870 -0.017 0.000 1.056 62 L CA -0.389 54.444 54.840 -0.012 0.000 0.804 62 L CB 1.443 43.501 42.059 -0.003 0.000 1.203 62 L HN 0.750 nan 8.230 nan 0.000 0.440 63 E N 1.064 121.257 120.200 -0.012 0.000 2.072 63 E HA -0.180 4.169 4.350 -0.000 0.000 0.191 63 E C 0.560 177.151 176.600 -0.014 0.000 0.985 63 E CA 0.561 56.952 56.400 -0.015 0.000 0.801 63 E CB 0.259 29.953 29.700 -0.009 0.000 0.750 63 E HN 0.677 nan 8.360 nan 0.000 0.452 64 D N 0.593 120.996 120.400 0.004 0.000 2.401 64 D HA -0.066 4.574 4.640 -0.000 0.000 0.254 64 D C 0.670 176.961 176.300 -0.014 0.000 1.192 64 D CA 0.002 54.016 54.000 0.023 0.000 0.885 64 D CB 0.958 41.797 40.800 0.065 0.000 1.147 64 D HN 0.009 nan 8.370 nan 0.000 0.478 65 K N 3.666 124.012 120.400 -0.089 0.000 2.044 65 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 65 K C 1.939 178.377 176.600 -0.269 0.000 1.049 65 K CA 1.258 57.405 56.287 -0.233 0.000 0.927 65 K CB -0.479 31.779 32.500 -0.403 0.000 0.713 65 K HN 0.499 nan 8.250 nan 0.000 0.443 66 F N 1.720 121.656 119.950 -0.023 0.000 2.084 66 F HA -0.105 4.421 4.527 -0.000 0.000 0.296 66 F C 2.478 178.266 175.800 -0.020 0.000 1.111 66 F CA 1.235 59.219 58.000 -0.026 0.000 1.224 66 F CB -0.639 38.344 39.000 -0.028 0.000 0.991 66 F HN 0.133 nan 8.300 nan 0.000 0.471 67 E N -0.051 120.248 120.200 0.166 0.000 2.097 67 E HA -0.291 4.059 4.350 -0.000 0.000 0.196 67 E C 1.878 178.502 176.600 0.040 0.000 1.000 67 E CA 1.485 57.937 56.400 0.086 0.000 0.804 67 E CB -0.404 29.334 29.700 0.064 0.000 0.740 67 E HN 0.335 nan 8.360 nan 0.000 0.454 68 N N 0.453 119.160 118.700 0.012 0.000 2.166 68 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 68 N C 1.735 177.236 175.510 -0.016 0.000 1.019 68 N CA 1.179 54.221 53.050 -0.013 0.000 0.856 68 N CB 0.006 38.470 38.487 -0.038 0.000 0.993 68 N HN 0.076 nan 8.380 nan 0.000 0.426 69 M N -0.780 118.809 119.600 -0.019 0.000 2.159 69 M HA -0.037 4.443 4.480 -0.000 0.000 0.263 69 M C 2.111 178.417 176.300 0.009 0.000 1.063 69 M CA 1.627 56.919 55.300 -0.014 0.000 1.110 69 M CB -0.445 32.147 32.600 -0.014 0.000 1.374 69 M HN 0.338 nan 8.290 nan 0.000 0.411 70 G N -0.249 108.568 108.800 0.028 0.000 2.421 70 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.216 70 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.216 70 G C 1.606 176.514 174.900 0.014 0.000 1.171 70 G CA 0.935 46.051 45.100 0.027 0.000 0.775 70 G HN 0.536 nan 8.290 nan 0.000 0.543 71 A N 0.125 122.950 122.820 0.009 0.000 1.877 71 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 71 A C 2.401 179.981 177.584 -0.005 0.000 1.186 71 A CA 2.018 54.056 52.037 0.001 0.000 0.620 71 A CB -0.437 18.561 19.000 -0.002 0.000 0.822 71 A HN 0.294 nan 8.150 nan 0.000 0.443 72 Q N -0.548 119.246 119.800 -0.010 0.000 2.181 72 Q HA -0.131 4.209 4.340 -0.000 0.000 0.205 72 Q C 2.106 178.099 176.000 -0.012 0.000 0.980 72 Q CA 1.524 57.318 55.803 -0.015 0.000 0.862 72 Q CB -0.572 28.154 28.738 -0.020 0.000 0.905 72 Q HN 0.788 nan 8.270 nan 0.000 0.429 73 M N -0.254 119.343 119.600 -0.004 0.000 2.077 73 M HA -0.131 4.349 4.480 -0.000 0.000 0.261 73 M C 2.280 178.581 176.300 0.001 0.000 1.070 73 M CA 1.572 56.873 55.300 0.001 0.000 1.125 73 M CB -0.452 32.154 32.600 0.010 0.000 1.339 73 M HN 0.191 nan 8.290 nan 0.000 0.409 74 V N -0.910 119.006 119.914 0.003 0.000 2.548 74 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 74 V C 2.064 178.151 176.094 -0.012 0.000 1.055 74 V CA 1.760 64.062 62.300 0.003 0.000 1.065 74 V CB -0.712 31.117 31.823 0.009 0.000 0.681 74 V HN 0.442 nan 8.190 nan 0.000 0.462 75 K N 0.023 120.413 120.400 -0.017 0.000 2.063 75 K HA -0.249 4.071 4.320 -0.000 0.000 0.208 75 K C 2.380 178.954 176.600 -0.043 0.000 1.048 75 K CA 2.142 58.413 56.287 -0.028 0.000 0.928 75 K CB -0.264 32.222 32.500 -0.024 0.000 0.713 75 K HN 0.708 nan 8.250 nan 0.000 0.442 76 E N 0.021 120.197 120.200 -0.040 0.000 2.047 76 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 76 E C 1.928 178.473 176.600 -0.090 0.000 0.987 76 E CA 1.307 57.675 56.400 -0.053 0.000 0.799 76 E CB 0.165 29.845 29.700 -0.034 0.000 0.752 76 E HN 0.134 nan 8.360 nan 0.000 0.449 77 V N 1.270 121.141 119.914 -0.072 0.000 2.358 77 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 77 V C 2.491 178.458 176.094 -0.211 0.000 1.047 77 V CA 1.728 63.961 62.300 -0.111 0.000 1.035 77 V CB -0.766 31.067 31.823 0.017 0.000 0.658 77 V HN 0.350 nan 8.190 nan 0.000 0.452 78 A N 0.733 123.488 122.820 -0.107 0.000 1.972 78 A HA -0.221 4.098 4.320 -0.000 0.000 0.219 78 A C 2.563 180.054 177.584 -0.156 0.000 1.169 78 A CA 2.200 54.178 52.037 -0.098 0.000 0.635 78 A CB -0.757 18.218 19.000 -0.042 0.000 0.810 78 A HN 0.691 nan 8.150 nan 0.000 0.446 79 S N 0.063 115.671 115.700 -0.152 0.000 2.399 79 S HA -0.210 4.260 4.470 -0.000 0.000 0.231 79 S C 1.813 176.287 174.600 -0.210 0.000 1.022 79 S CA 1.565 59.680 58.200 -0.142 0.000 0.983 79 S CB -0.422 62.715 63.200 -0.105 0.000 0.803 79 S HN 0.617 nan 8.310 nan 0.000 0.480 80 K N 1.429 121.610 120.400 -0.365 0.000 2.147 80 K HA 0.054 4.374 4.320 -0.000 0.000 0.205 80 K C 2.521 178.841 176.600 -0.467 0.000 1.049 80 K CA 1.099 57.078 56.287 -0.514 0.000 0.936 80 K CB -0.556 31.384 32.500 -0.932 0.000 0.722 80 K HN 0.537 nan 8.250 nan 0.000 0.446 81 A N 1.719 124.285 122.820 -0.423 0.000 1.877 81 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 81 A C 1.920 179.482 177.584 -0.037 0.000 1.186 81 A CA 1.974 53.982 52.037 -0.048 0.000 0.620 81 A CB -0.663 18.368 19.000 0.051 0.000 0.822 81 A HN 0.283 nan 8.150 nan 0.000 0.443 82 N N 0.015 118.662 118.700 -0.089 0.000 2.120 82 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 82 N C 1.233 176.676 175.510 -0.111 0.000 1.024 82 N CA 1.590 54.581 53.050 -0.098 0.000 0.852 82 N CB -0.181 38.247 38.487 -0.098 0.000 1.003 82 N HN 0.423 nan 8.380 nan 0.000 0.424 83 D N -0.045 120.303 120.400 -0.087 0.000 2.123 83 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 83 D C 1.769 178.085 176.300 0.026 0.000 0.992 83 D CA 1.274 55.250 54.000 -0.040 0.000 0.833 83 D CB -0.489 40.284 40.800 -0.044 0.000 0.954 83 D HN 0.362 nan 8.370 nan 0.000 0.455 84 A N 0.601 123.446 122.820 0.042 0.000 1.873 84 A HA 0.111 4.431 4.320 -0.000 0.000 0.215 84 A C 2.054 179.717 177.584 0.130 0.000 1.186 84 A CA 2.136 54.242 52.037 0.114 0.000 0.616 84 A CB -0.212 18.899 19.000 0.186 0.000 0.823 84 A HN 0.254 nan 8.150 nan 0.000 0.442 85 A N -2.854 120.009 122.820 0.071 0.000 2.508 85 A HA 0.478 4.797 4.320 -0.000 0.000 0.250 85 A C 1.507 179.049 177.584 -0.070 0.000 1.208 85 A CA 0.979 53.057 52.037 0.068 0.000 0.960 85 A CB -0.333 18.705 19.000 0.062 0.000 1.099 85 A HN 1.913 nan 8.150 nan 0.000 0.542 86 G N -0.620 107.993 108.800 -0.312 0.000 2.148 86 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.254 86 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.254 86 G C -0.178 174.581 174.900 -0.234 0.000 0.981 86 G CA 0.691 45.455 45.100 -0.560 0.000 0.670 86 G HN 0.935 nan 8.290 nan 0.000 0.528 87 D N -3.333 116.991 120.400 -0.127 0.000 2.808 87 D HA 0.564 5.204 4.640 -0.000 0.000 0.294 87 D C 0.876 177.156 176.300 -0.033 0.000 1.278 87 D CA 1.533 55.491 54.000 -0.070 0.000 0.756 87 D CB 0.053 40.824 40.800 -0.049 0.000 1.271 87 D HN 1.440 nan 8.370 nan 0.000 0.425 88 G N -0.403 108.384 108.800 -0.020 0.000 2.176 88 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.232 88 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.232 88 G C 1.111 176.010 174.900 -0.002 0.000 0.986 88 G CA 0.915 46.015 45.100 0.000 0.000 0.643 88 G HN 0.571 nan 8.290 nan 0.000 0.522 89 T N 0.984 115.524 114.554 -0.022 0.000 2.674 89 T HA -0.100 4.249 4.350 -0.000 0.000 0.265 89 T C 2.610 177.301 174.700 -0.015 0.000 1.039 89 T CA 2.543 64.626 62.100 -0.028 0.000 1.150 89 T CB -0.435 68.406 68.868 -0.045 0.000 0.864 89 T HN 0.467 nan 8.240 nan 0.000 0.427 90 T N 1.715 116.261 114.554 -0.014 0.000 2.684 90 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 90 T C 2.236 176.936 174.700 -0.000 0.000 1.036 90 T CA 1.794 63.889 62.100 -0.008 0.000 1.148 90 T CB -0.802 68.061 68.868 -0.010 0.000 0.863 90 T HN 0.426 nan 8.240 nan 0.000 0.436 91 T N 2.245 116.801 114.554 0.004 0.000 2.635 91 T HA -0.126 4.223 4.350 -0.000 0.000 0.267 91 T C 2.407 177.118 174.700 0.019 0.000 1.040 91 T CA 1.378 63.485 62.100 0.011 0.000 1.156 91 T CB -0.750 68.126 68.868 0.014 0.000 0.863 91 T HN 0.454 nan 8.240 nan 0.000 0.430 92 A N 1.321 124.158 122.820 0.027 0.000 1.948 92 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 92 A C 2.561 180.163 177.584 0.030 0.000 1.177 92 A CA 2.301 54.364 52.037 0.043 0.000 0.636 92 A CB -1.347 17.689 19.000 0.061 0.000 0.815 92 A HN 0.523 nan 8.150 nan 0.000 0.449 93 T N -0.430 114.133 114.554 0.015 0.000 2.674 93 T HA -0.137 4.213 4.350 -0.000 0.000 0.265 93 T C 2.010 176.717 174.700 0.011 0.000 1.039 93 T CA 1.927 64.033 62.100 0.010 0.000 1.150 93 T CB -0.822 68.046 68.868 -0.000 0.000 0.864 93 T HN 0.694 nan 8.240 nan 0.000 0.427 94 V N 0.987 120.907 119.914 0.010 0.000 2.490 94 V HA -0.050 4.070 4.120 -0.000 0.000 0.250 94 V C 2.169 178.271 176.094 0.013 0.000 1.061 94 V CA 1.447 63.753 62.300 0.009 0.000 1.064 94 V CB -0.941 30.886 31.823 0.007 0.000 0.670 94 V HN 0.478 nan 8.190 nan 0.000 0.461 95 L N 0.555 121.788 121.223 0.017 0.000 2.027 95 L HA -0.025 4.315 4.340 -0.000 0.000 0.206 95 L C 3.067 179.949 176.870 0.021 0.000 1.074 95 L CA 1.729 56.581 54.840 0.019 0.000 0.745 95 L CB -0.962 41.112 42.059 0.025 0.000 0.898 95 L HN 0.446 nan 8.230 nan 0.000 0.433 96 A N -0.461 122.374 122.820 0.024 0.000 1.908 96 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 96 A C 2.258 179.853 177.584 0.018 0.000 1.181 96 A CA 2.045 54.097 52.037 0.025 0.000 0.627 96 A CB -0.661 18.356 19.000 0.028 0.000 0.818 96 A HN 0.522 nan 8.150 nan 0.000 0.445 97 Q N -0.521 119.288 119.800 0.015 0.000 2.061 97 Q HA -0.157 4.182 4.340 -0.000 0.000 0.204 97 Q C 2.203 178.210 176.000 0.011 0.000 0.984 97 Q CA 1.840 57.650 55.803 0.012 0.000 0.846 97 Q CB -0.386 28.357 28.738 0.009 0.000 0.902 97 Q HN 0.594 nan 8.270 nan 0.000 0.421 98 A N 0.905 123.732 122.820 0.011 0.000 1.883 98 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 98 A C 2.021 179.611 177.584 0.010 0.000 1.186 98 A CA 1.603 53.646 52.037 0.010 0.000 0.624 98 A CB -0.747 18.259 19.000 0.010 0.000 0.822 98 A HN 0.511 nan 8.150 nan 0.000 0.444 99 I N -0.525 120.052 120.570 0.013 0.000 2.202 99 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 99 I C 2.327 178.451 176.117 0.012 0.000 1.091 99 I CA 1.323 62.631 61.300 0.013 0.000 1.368 99 I CB -0.388 37.621 38.000 0.015 0.000 1.058 99 I HN 0.293 nan 8.210 nan 0.000 0.410 100 I N 0.406 120.984 120.570 0.014 0.000 2.226 100 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 100 I C 2.580 178.703 176.117 0.011 0.000 1.100 100 I CA 1.496 62.804 61.300 0.013 0.000 1.374 100 I CB -0.572 37.437 38.000 0.015 0.000 1.057 100 I HN 0.243 nan 8.210 nan 0.000 0.413 101 T N 0.227 114.787 114.554 0.010 0.000 2.622 101 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 101 T C 1.844 176.548 174.700 0.007 0.000 1.047 101 T CA 1.343 63.448 62.100 0.008 0.000 1.159 101 T CB -0.182 68.691 68.868 0.007 0.000 0.863 101 T HN 0.272 nan 8.240 nan 0.000 0.422 102 E N 0.684 120.888 120.200 0.007 0.000 2.106 102 E HA -0.018 4.332 4.350 -0.000 0.000 0.192 102 E C 2.549 179.153 176.600 0.007 0.000 0.984 102 E CA 1.062 57.466 56.400 0.006 0.000 0.806 102 E CB -0.946 28.758 29.700 0.006 0.000 0.750 102 E HN 0.562 nan 8.360 nan 0.000 0.458 103 G N 1.515 110.319 108.800 0.008 0.000 2.446 103 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 103 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 103 G C 1.737 176.642 174.900 0.008 0.000 1.168 103 G CA 0.725 45.831 45.100 0.008 0.000 0.771 103 G HN 0.197 nan 8.290 nan 0.000 0.551 104 L N -0.170 121.058 121.223 0.008 0.000 2.083 104 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 104 L C 2.977 179.850 176.870 0.006 0.000 1.083 104 L CA 1.156 56.001 54.840 0.007 0.000 0.752 104 L CB -0.335 41.728 42.059 0.007 0.000 0.899 104 L HN 0.205 nan 8.230 nan 0.000 0.433 105 K N 0.190 120.593 120.400 0.005 0.000 2.032 105 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 105 K C 2.264 178.866 176.600 0.004 0.000 1.048 105 K CA 1.481 57.770 56.287 0.004 0.000 0.927 105 K CB -0.275 32.227 32.500 0.004 0.000 0.712 105 K HN 0.282 nan 8.250 nan 0.000 0.441 106 A N 1.004 123.826 122.820 0.005 0.000 1.908 106 A HA -0.151 4.168 4.320 -0.000 0.000 0.218 106 A C 2.364 179.951 177.584 0.005 0.000 1.181 106 A CA 1.619 53.658 52.037 0.005 0.000 0.627 106 A CB -0.739 18.264 19.000 0.005 0.000 0.818 106 A HN 0.094 nan 8.150 nan 0.000 0.445 107 V N -0.236 119.681 119.914 0.006 0.000 2.343 107 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 107 V C 3.034 179.132 176.094 0.006 0.000 1.051 107 V CA 1.978 64.282 62.300 0.007 0.000 1.036 107 V CB -1.191 30.638 31.823 0.009 0.000 0.654 107 V HN 0.628 nan 8.190 nan 0.000 0.451 108 A N -0.092 122.730 122.820 0.004 0.000 1.969 108 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 108 A C 2.303 179.889 177.584 0.002 0.000 1.169 108 A CA 1.700 53.739 52.037 0.003 0.000 0.635 108 A CB -0.609 18.392 19.000 0.002 0.000 0.810 108 A HN 0.585 nan 8.150 nan 0.000 0.445 109 A N -1.855 120.966 122.820 0.002 0.000 2.209 109 A HA 0.363 4.683 4.320 -0.000 0.000 0.212 109 A C 1.821 179.406 177.584 0.002 0.000 1.158 109 A CA 1.438 53.476 52.037 0.002 0.000 0.742 109 A CB -0.827 18.174 19.000 0.002 0.000 0.790 109 A HN 1.866 nan 8.150 nan 0.000 0.472 110 G N -2.304 106.497 108.800 0.003 0.000 2.163 110 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.213 110 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.213 110 G C 0.157 175.059 174.900 0.003 0.000 0.991 110 G CA 0.128 45.229 45.100 0.003 0.000 0.653 110 G HN 0.359 nan 8.290 nan 0.000 0.518 111 M N 0.763 120.365 119.600 0.004 0.000 2.241 111 M HA 0.242 4.722 4.480 -0.000 0.000 0.335 111 M C 0.722 177.025 176.300 0.006 0.000 1.122 111 M CA -0.464 54.838 55.300 0.004 0.000 1.164 111 M CB 0.443 33.045 32.600 0.004 0.000 1.459 111 M HN 0.170 nan 8.290 nan 0.000 0.461 112 N N 2.469 121.172 118.700 0.006 0.000 2.452 112 N HA 0.092 4.832 4.740 -0.000 0.000 0.266 112 N C -2.119 173.396 175.510 0.008 0.000 1.175 112 N CA -1.240 51.814 53.050 0.007 0.000 0.945 112 N CB 1.210 39.701 38.487 0.006 0.000 1.063 112 N HN 0.282 nan 8.380 nan 0.000 0.472 113 P HA -0.150 nan 4.420 nan 0.000 0.215 113 P C 1.674 178.980 177.300 0.010 0.000 1.157 113 P CA 1.471 64.577 63.100 0.011 0.000 0.874 113 P CB 0.203 31.911 31.700 0.014 0.000 0.790 114 M N -0.948 118.658 119.600 0.010 0.000 2.159 114 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 114 M C 1.502 177.806 176.300 0.007 0.000 1.063 114 M CA 1.657 56.963 55.300 0.009 0.000 1.110 114 M CB -1.722 30.884 32.600 0.009 0.000 1.374 114 M HN 0.002 nan 8.290 nan 0.000 0.411 115 D N 0.356 120.760 120.400 0.007 0.000 2.149 115 D HA -0.010 4.630 4.640 -0.000 0.000 0.201 115 D C 2.340 178.643 176.300 0.005 0.000 0.972 115 D CA 0.829 54.832 54.000 0.005 0.000 0.835 115 D CB -0.036 40.767 40.800 0.005 0.000 0.966 115 D HN 0.321 nan 8.370 nan 0.000 0.476 116 L N 0.887 122.114 121.223 0.006 0.000 2.046 116 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 116 L C 2.560 179.434 176.870 0.006 0.000 1.077 116 L CA 1.199 56.043 54.840 0.006 0.000 0.747 116 L CB -0.320 41.744 42.059 0.007 0.000 0.896 116 L HN -0.010 nan 8.230 nan 0.000 0.432 117 K N 0.420 120.824 120.400 0.007 0.000 2.026 117 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 117 K C 2.326 178.929 176.600 0.005 0.000 1.048 117 K CA 1.438 57.729 56.287 0.007 0.000 0.929 117 K CB -0.069 32.436 32.500 0.009 0.000 0.713 117 K HN 0.055 nan 8.250 nan 0.000 0.439 118 R N -0.199 120.303 120.500 0.004 0.000 2.091 118 R HA -0.116 4.224 4.340 -0.000 0.000 0.238 118 R C 2.317 178.618 176.300 0.002 0.000 1.136 118 R CA 1.803 57.904 56.100 0.003 0.000 0.959 118 R CB -0.564 29.738 30.300 0.003 0.000 0.856 118 R HN 0.452 nan 8.270 nan 0.000 0.437 119 G N 0.578 109.379 108.800 0.003 0.000 2.404 119 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.215 119 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.215 119 G C 1.434 176.335 174.900 0.002 0.000 1.174 119 G CA 0.803 45.905 45.100 0.003 0.000 0.780 119 G HN 0.254 nan 8.290 nan 0.000 0.537 120 I N 1.063 121.635 120.570 0.003 0.000 2.163 120 I HA -0.171 3.999 4.170 -0.000 0.000 0.243 120 I C 2.325 178.442 176.117 0.000 0.000 1.085 120 I CA 1.327 62.629 61.300 0.003 0.000 1.347 120 I CB -0.191 37.812 38.000 0.005 0.000 1.044 120 I HN 0.078 nan 8.210 nan 0.000 0.408 121 D N 0.758 121.158 120.400 -0.001 0.000 2.117 121 D HA -0.215 4.425 4.640 -0.000 0.000 0.197 121 D C 2.064 178.361 176.300 -0.006 0.000 0.987 121 D CA 1.231 55.227 54.000 -0.006 0.000 0.829 121 D CB -0.224 40.573 40.800 -0.006 0.000 0.961 121 D HN 0.294 nan 8.370 nan 0.000 0.460 122 K N 0.818 121.216 120.400 -0.003 0.000 2.032 122 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 122 K C 2.054 178.653 176.600 -0.002 0.000 1.048 122 K CA 1.420 57.706 56.287 -0.003 0.000 0.927 122 K CB -0.067 32.432 32.500 -0.001 0.000 0.712 122 K HN 0.016 nan 8.250 nan 0.000 0.441 123 A N 0.527 123.347 122.820 -0.001 0.000 1.908 123 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 123 A C 2.250 179.833 177.584 -0.001 0.000 1.181 123 A CA 1.812 53.849 52.037 0.001 0.000 0.627 123 A CB -0.698 18.303 19.000 0.002 0.000 0.818 123 A HN 0.191 nan 8.150 nan 0.000 0.445 124 V N -0.272 119.640 119.914 -0.004 0.000 2.343 124 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 124 V C 2.732 178.819 176.094 -0.012 0.000 1.051 124 V CA 2.427 64.722 62.300 -0.009 0.000 1.036 124 V CB -1.272 30.543 31.823 -0.014 0.000 0.654 124 V HN 0.618 nan 8.190 nan 0.000 0.451 125 T N 0.470 115.016 114.554 -0.012 0.000 2.720 125 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 125 T C 2.043 176.738 174.700 -0.008 0.000 1.037 125 T CA 1.655 63.748 62.100 -0.013 0.000 1.144 125 T CB -0.398 68.463 68.868 -0.011 0.000 0.864 125 T HN 0.576 nan 8.240 nan 0.000 0.444 126 A N 1.408 124.226 122.820 -0.004 0.000 1.898 126 A HA 0.247 4.567 4.320 -0.000 0.000 0.216 126 A C 2.673 180.257 177.584 0.001 0.000 1.181 126 A CA 1.666 53.703 52.037 -0.001 0.000 0.620 126 A CB -1.121 17.880 19.000 0.001 0.000 0.819 126 A HN 0.493 nan 8.150 nan 0.000 0.442 127 A N -0.466 122.354 122.820 0.000 0.000 1.908 127 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 127 A C 2.208 179.793 177.584 0.001 0.000 1.181 127 A CA 1.888 53.926 52.037 0.003 0.000 0.627 127 A CB -0.947 18.055 19.000 0.002 0.000 0.818 127 A HN 0.406 nan 8.150 nan 0.000 0.445 128 V N -0.317 119.594 119.914 -0.005 0.000 2.407 128 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 128 V C 2.554 178.646 176.094 -0.002 0.000 1.055 128 V CA 2.331 64.626 62.300 -0.007 0.000 1.049 128 V CB -0.658 31.155 31.823 -0.017 0.000 0.662 128 V HN 0.579 nan 8.190 nan 0.000 0.455 129 E N 0.075 120.275 120.200 -0.002 0.000 2.107 129 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 129 E C 2.142 178.745 176.600 0.005 0.000 0.982 129 E CA 0.936 57.337 56.400 0.001 0.000 0.809 129 E CB -0.187 29.513 29.700 0.001 0.000 0.756 129 E HN 0.533 nan 8.360 nan 0.000 0.459 130 E N -0.464 119.739 120.200 0.006 0.000 2.153 130 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 130 E C 1.634 178.241 176.600 0.012 0.000 0.988 130 E CA 0.399 56.805 56.400 0.010 0.000 0.811 130 E CB -0.186 29.521 29.700 0.011 0.000 0.746 130 E HN 0.143 nan 8.360 nan 0.000 0.466 131 L N 0.701 121.931 121.223 0.010 0.000 2.093 131 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 131 L C 1.788 178.665 176.870 0.012 0.000 1.085 131 L CA 1.744 56.592 54.840 0.012 0.000 0.755 131 L CB -0.349 41.715 42.059 0.009 0.000 0.904 131 L HN 0.037 nan 8.230 nan 0.000 0.435 132 K N -1.128 119.277 120.400 0.009 0.000 2.097 132 K HA -0.070 4.249 4.320 -0.000 0.000 0.205 132 K C 2.055 178.662 176.600 0.011 0.000 1.050 132 K CA 1.220 57.513 56.287 0.010 0.000 0.938 132 K CB -0.293 32.212 32.500 0.007 0.000 0.718 132 K HN 0.330 nan 8.250 nan 0.000 0.442 133 A N 1.358 124.184 122.820 0.011 0.000 1.969 133 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 133 A C 2.037 179.631 177.584 0.016 0.000 1.169 133 A CA 0.985 53.029 52.037 0.013 0.000 0.635 133 A CB -0.438 18.570 19.000 0.012 0.000 0.810 133 A HN 0.239 nan 8.150 nan 0.000 0.445 134 L N -0.506 120.728 121.223 0.018 0.000 2.179 134 L HA -0.000 4.340 4.340 -0.000 0.000 0.208 134 L C 1.368 178.251 176.870 0.021 0.000 1.096 134 L CA 0.509 55.362 54.840 0.022 0.000 0.779 134 L CB -0.207 41.867 42.059 0.025 0.000 0.922 134 L HN 0.397 nan 8.230 nan 0.000 0.443 135 S N -0.186 115.525 115.700 0.018 0.000 2.563 135 S HA 0.057 4.527 4.470 -0.000 0.000 0.294 135 S C -0.196 174.413 174.600 0.016 0.000 1.279 135 S CA -0.416 57.794 58.200 0.017 0.000 1.069 135 S CB 0.422 63.631 63.200 0.015 0.000 0.828 135 S HN 0.071 nan 8.310 nan 0.000 0.497 136 V N 8.500 128.424 119.914 0.016 0.000 2.427 136 V HA 0.407 4.527 4.120 -0.000 0.000 0.286 136 V C -2.068 174.034 176.094 0.013 0.000 1.034 136 V CA -1.894 60.415 62.300 0.015 0.000 0.893 136 V CB 1.342 33.175 31.823 0.016 0.000 0.982 136 V HN 0.754 nan 8.190 nan 0.000 0.452 137 P HA 0.187 nan 4.420 nan 0.000 0.272 137 P C -0.757 176.549 177.300 0.010 0.000 1.223 137 P CA -0.282 62.825 63.100 0.011 0.000 0.784 137 P CB 0.509 32.215 31.700 0.010 0.000 0.923 138 C N 2.773 122.079 119.300 0.010 0.000 2.647 138 C HA 0.491 4.951 4.460 -0.000 0.000 0.273 138 C C 1.031 176.025 174.990 0.007 0.000 1.088 138 C CA 0.184 59.207 59.018 0.009 0.000 1.529 138 C CB -1.378 26.368 27.740 0.010 0.000 1.810 138 C HN 0.571 nan 8.230 nan 0.000 0.422 139 S N 1.672 117.376 115.700 0.006 0.000 3.039 139 S HA 0.128 4.598 4.470 -0.000 0.000 0.251 139 S C 0.262 174.864 174.600 0.003 0.000 1.064 139 S CA 0.019 58.222 58.200 0.005 0.000 0.822 139 S CB -0.103 63.100 63.200 0.005 0.000 0.802 139 S HN 0.939 nan 8.310 nan 0.000 0.519 140 D N 2.419 122.821 120.400 0.003 0.000 2.399 140 D HA 0.043 4.683 4.640 -0.000 0.000 0.241 140 D C 0.889 177.191 176.300 0.002 0.000 1.133 140 D CA 0.364 54.365 54.000 0.003 0.000 0.890 140 D CB 0.885 41.686 40.800 0.003 0.000 1.201 140 D HN 0.261 nan 8.370 nan 0.000 0.432 141 S N 0.739 116.440 115.700 0.001 0.000 2.547 141 S HA -0.190 4.280 4.470 -0.000 0.000 0.235 141 S C 1.476 176.076 174.600 0.001 0.000 0.980 141 S CA 0.564 58.764 58.200 0.001 0.000 0.941 141 S CB -0.239 62.960 63.200 -0.000 0.000 0.763 141 S HN 0.628 nan 8.310 nan 0.000 0.532 142 K N 1.454 121.855 120.400 0.002 0.000 2.076 142 K HA 0.115 4.435 4.320 -0.000 0.000 0.204 142 K C 2.291 178.893 176.600 0.003 0.000 1.051 142 K CA 0.970 57.258 56.287 0.002 0.000 0.949 142 K CB -0.559 31.942 32.500 0.002 0.000 0.726 142 K HN 0.410 nan 8.250 nan 0.000 0.443 143 A N 1.710 124.532 122.820 0.003 0.000 1.898 143 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 143 A C 2.094 179.681 177.584 0.005 0.000 1.181 143 A CA 1.212 53.252 52.037 0.004 0.000 0.620 143 A CB -0.566 18.438 19.000 0.005 0.000 0.819 143 A HN 0.329 nan 8.150 nan 0.000 0.442 144 I N -0.109 120.463 120.570 0.004 0.000 2.194 144 I HA -0.350 3.820 4.170 -0.000 0.000 0.246 144 I C 2.957 179.076 176.117 0.004 0.000 1.093 144 I CA 1.254 62.556 61.300 0.004 0.000 1.355 144 I CB -0.366 37.635 38.000 0.002 0.000 1.046 144 I HN 0.387 nan 8.210 nan 0.000 0.413 145 A N 0.181 123.003 122.820 0.002 0.000 1.930 145 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 145 A C 2.249 179.834 177.584 0.002 0.000 1.175 145 A CA 1.399 53.437 52.037 0.002 0.000 0.627 145 A CB -0.519 18.482 19.000 0.001 0.000 0.815 145 A HN 0.500 nan 8.150 nan 0.000 0.443 146 Q N -0.363 119.438 119.800 0.002 0.000 2.020 146 Q HA -0.120 4.219 4.340 -0.000 0.000 0.202 146 Q C 2.153 178.155 176.000 0.003 0.000 0.982 146 Q CA 1.715 57.519 55.803 0.002 0.000 0.838 146 Q CB -0.494 28.246 28.738 0.003 0.000 0.899 146 Q HN 0.479 nan 8.270 nan 0.000 0.423 147 V N 0.978 120.894 119.914 0.005 0.000 2.407 147 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 147 V C 2.285 178.384 176.094 0.007 0.000 1.055 147 V CA 1.979 64.283 62.300 0.007 0.000 1.049 147 V CB -1.241 30.588 31.823 0.010 0.000 0.662 147 V HN 0.544 nan 8.190 nan 0.000 0.455 148 G N -0.426 108.379 108.800 0.007 0.000 2.408 148 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 148 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 148 G C 1.677 176.580 174.900 0.005 0.000 1.150 148 G CA 1.448 46.553 45.100 0.008 0.000 0.776 148 G HN 0.482 nan 8.290 nan 0.000 0.542 149 T N 1.289 115.845 114.554 0.002 0.000 2.777 149 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 149 T C 2.374 177.073 174.700 -0.001 0.000 1.040 149 T CA 0.822 62.922 62.100 0.000 0.000 1.141 149 T CB -0.106 68.761 68.868 -0.001 0.000 0.868 149 T HN 0.241 nan 8.240 nan 0.000 0.444 150 I N 1.231 121.801 120.570 -0.001 0.000 2.252 150 I HA -0.138 4.032 4.170 -0.000 0.000 0.245 150 I C 2.479 178.594 176.117 -0.003 0.000 1.102 150 I CA 0.968 62.265 61.300 -0.004 0.000 1.385 150 I CB -0.293 37.705 38.000 -0.004 0.000 1.064 150 I HN 0.169 nan 8.210 nan 0.000 0.414 151 S N 0.667 116.368 115.700 0.001 0.000 2.474 151 S HA 0.012 4.481 4.470 -0.000 0.000 0.235 151 S C 1.622 176.224 174.600 0.003 0.000 0.997 151 S CA 0.952 59.155 58.200 0.004 0.000 0.949 151 S CB -0.114 63.093 63.200 0.012 0.000 0.766 151 S HN 0.502 nan 8.310 nan 0.000 0.517 152 A N 1.279 124.100 122.820 0.002 0.000 2.507 152 A HA 0.443 4.763 4.320 -0.000 0.000 0.270 152 A C 0.617 178.199 177.584 -0.003 0.000 1.318 152 A CA -0.373 51.665 52.037 0.001 0.000 0.924 152 A CB -0.572 18.429 19.000 0.002 0.000 1.061 152 A HN 0.377 nan 8.150 nan 0.000 0.516 153 N N -0.351 118.346 118.700 -0.005 0.000 2.756 153 N HA -0.213 4.527 4.740 -0.000 0.000 0.248 153 N C 0.189 175.694 175.510 -0.008 0.000 1.062 153 N CA 1.048 54.093 53.050 -0.008 0.000 0.696 153 N CB -1.860 36.622 38.487 -0.008 0.000 0.946 153 N HN 0.505 nan 8.380 nan 0.000 0.548 154 S N -1.587 114.108 115.700 -0.008 0.000 3.586 154 S HA -0.228 4.242 4.470 -0.000 0.000 0.309 154 S C -0.384 174.212 174.600 -0.006 0.000 1.195 154 S CA 0.818 59.013 58.200 -0.007 0.000 0.895 154 S CB -1.001 62.194 63.200 -0.010 0.000 0.983 154 S HN 0.725 nan 8.310 nan 0.000 0.563 155 D N 1.471 121.868 120.400 -0.004 0.000 2.441 155 D HA 0.234 4.873 4.640 -0.000 0.000 0.221 155 D C 1.211 177.510 176.300 -0.002 0.000 1.156 155 D CA -0.349 53.649 54.000 -0.003 0.000 0.896 155 D CB 0.472 41.270 40.800 -0.002 0.000 1.028 155 D HN 0.457 nan 8.370 nan 0.000 0.509 156 E N 1.305 121.503 120.200 -0.003 0.000 2.171 156 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 156 E C 1.408 178.007 176.600 -0.001 0.000 0.997 156 E CA 1.176 57.575 56.400 -0.002 0.000 0.810 156 E CB 0.112 29.810 29.700 -0.002 0.000 0.738 156 E HN 0.488 nan 8.360 nan 0.000 0.467 157 T N 1.304 115.857 114.554 -0.002 0.000 2.684 157 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 157 T C 2.209 176.908 174.700 -0.001 0.000 1.036 157 T CA 1.501 63.600 62.100 -0.002 0.000 1.148 157 T CB -0.354 68.513 68.868 -0.002 0.000 0.863 157 T HN 0.011 nan 8.240 nan 0.000 0.436 158 V N 1.504 121.418 119.914 -0.000 0.000 2.343 158 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 158 V C 2.897 178.992 176.094 0.001 0.000 1.051 158 V CA 1.939 64.239 62.300 0.001 0.000 1.036 158 V CB -1.512 30.312 31.823 0.002 0.000 0.654 158 V HN 0.611 nan 8.190 nan 0.000 0.451 159 G N -0.328 108.473 108.800 0.001 0.000 2.446 159 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.217 159 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.217 159 G C 1.639 176.539 174.900 0.000 0.000 1.168 159 G CA 1.156 46.256 45.100 0.001 0.000 0.771 159 G HN 0.497 nan 8.290 nan 0.000 0.551 160 K N -0.071 120.329 120.400 -0.001 0.000 2.032 160 K HA 0.003 4.323 4.320 -0.000 0.000 0.209 160 K C 2.553 179.152 176.600 -0.002 0.000 1.048 160 K CA 1.038 57.324 56.287 -0.001 0.000 0.927 160 K CB -0.330 32.169 32.500 -0.002 0.000 0.712 160 K HN 0.324 nan 8.250 nan 0.000 0.441 161 L N 0.904 122.126 121.223 -0.002 0.000 2.013 161 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 161 L C 2.440 179.308 176.870 -0.004 0.000 1.073 161 L CA 1.462 56.300 54.840 -0.003 0.000 0.753 161 L CB -0.313 41.745 42.059 -0.003 0.000 0.890 161 L HN 0.302 nan 8.230 nan 0.000 0.432 162 I N -0.750 119.819 120.570 -0.003 0.000 2.252 162 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 162 I C 2.750 178.864 176.117 -0.004 0.000 1.102 162 I CA 1.103 62.401 61.300 -0.003 0.000 1.385 162 I CB -0.499 37.501 38.000 -0.000 0.000 1.064 162 I HN 0.223 nan 8.210 nan 0.000 0.414 163 A N 0.517 123.336 122.820 -0.003 0.000 1.902 163 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 163 A C 2.214 179.796 177.584 -0.004 0.000 1.181 163 A CA 1.755 53.790 52.037 -0.003 0.000 0.623 163 A CB -0.587 18.412 19.000 -0.001 0.000 0.818 163 A HN 0.438 nan 8.150 nan 0.000 0.443 164 E N -0.363 119.834 120.200 -0.004 0.000 2.051 164 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 164 E C 2.382 178.979 176.600 -0.006 0.000 0.991 164 E CA 0.986 57.383 56.400 -0.005 0.000 0.799 164 E CB -0.300 29.398 29.700 -0.005 0.000 0.748 164 E HN 0.616 nan 8.360 nan 0.000 0.449 165 A N 1.193 124.008 122.820 -0.007 0.000 1.883 165 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 165 A C 2.185 179.762 177.584 -0.011 0.000 1.186 165 A CA 1.531 53.562 52.037 -0.010 0.000 0.624 165 A CB -0.507 18.486 19.000 -0.012 0.000 0.822 165 A HN 0.156 nan 8.150 nan 0.000 0.444 166 M N -0.978 118.616 119.600 -0.010 0.000 2.213 166 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 166 M C 1.844 178.139 176.300 -0.008 0.000 1.062 166 M CA 1.964 57.258 55.300 -0.010 0.000 1.105 166 M CB -0.563 32.032 32.600 -0.009 0.000 1.385 166 M HN 0.546 nan 8.290 nan 0.000 0.417 167 D N 0.480 120.876 120.400 -0.007 0.000 2.144 167 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 167 D C 2.020 178.317 176.300 -0.006 0.000 0.978 167 D CA 1.137 55.133 54.000 -0.006 0.000 0.833 167 D CB 0.244 41.042 40.800 -0.004 0.000 0.961 167 D HN 0.015 nan 8.370 nan 0.000 0.470 168 K N -0.012 120.384 120.400 -0.007 0.000 1.985 168 K HA -0.064 4.255 4.320 -0.000 0.000 0.210 168 K C 2.080 178.675 176.600 -0.008 0.000 1.047 168 K CA 1.511 57.793 56.287 -0.008 0.000 0.932 168 K CB -0.628 31.867 32.500 -0.008 0.000 0.716 168 K HN 0.295 nan 8.250 nan 0.000 0.439 169 V N -2.396 117.511 119.914 -0.010 0.000 3.649 169 V HA 0.319 4.439 4.120 -0.000 0.000 0.275 169 V C 0.697 176.785 176.094 -0.011 0.000 1.281 169 V CA 0.285 62.579 62.300 -0.011 0.000 1.143 169 V CB -0.641 31.173 31.823 -0.014 0.000 0.892 169 V HN 0.425 nan 8.190 nan 0.000 0.441 170 G N 0.927 109.721 108.800 -0.010 0.000 2.730 170 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.686 170 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.686 170 G C 0.077 174.971 174.900 -0.010 0.000 1.343 170 G CA 0.060 45.155 45.100 -0.009 0.000 0.826 170 G HN 0.335 nan 8.290 nan 0.000 0.582 171 K N 0.068 120.463 120.400 -0.009 0.000 2.147 171 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 171 K C 2.018 178.610 176.600 -0.013 0.000 1.049 171 K CA 1.720 58.001 56.287 -0.010 0.000 0.936 171 K CB -0.019 32.477 32.500 -0.006 0.000 0.722 171 K HN 0.530 nan 8.250 nan 0.000 0.446 172 E N 0.410 120.604 120.200 -0.012 0.000 2.385 172 E HA 0.005 4.355 4.350 -0.000 0.000 0.194 172 E C 1.057 177.647 176.600 -0.017 0.000 1.013 172 E CA 0.142 56.534 56.400 -0.013 0.000 0.866 172 E CB -0.102 29.593 29.700 -0.009 0.000 0.832 172 E HN 0.258 nan 8.360 nan 0.000 0.500 173 G N 1.482 110.272 108.800 -0.017 0.000 2.647 173 G HA2 0.094 4.054 3.960 -0.000 0.000 0.234 173 G HA3 0.094 4.054 3.960 -0.000 0.000 0.234 173 G C 0.145 175.029 174.900 -0.027 0.000 1.252 173 G CA -0.368 44.721 45.100 -0.019 0.000 0.846 173 G HN -0.013 nan 8.290 nan 0.000 0.589 174 V N 2.077 121.974 119.914 -0.028 0.000 2.432 174 V HA 0.322 4.442 4.120 -0.000 0.000 0.275 174 V C 0.419 176.490 176.094 -0.038 0.000 1.043 174 V CA -0.038 62.239 62.300 -0.038 0.000 0.925 174 V CB 0.850 32.650 31.823 -0.037 0.000 0.985 174 V HN 0.466 nan 8.190 nan 0.000 0.466 175 I N 4.335 124.876 120.570 -0.047 0.000 2.418 175 I HA 0.435 4.605 4.170 -0.000 0.000 0.287 175 I C 0.028 176.119 176.117 -0.044 0.000 1.008 175 I CA -0.158 61.117 61.300 -0.040 0.000 1.104 175 I CB 2.143 40.121 38.000 -0.037 0.000 1.264 175 I HN 0.492 nan 8.210 nan 0.000 0.438 176 T N 5.342 119.874 114.554 -0.036 0.000 2.888 176 T HA 0.533 4.883 4.350 -0.000 0.000 0.284 176 T C -0.825 173.861 174.700 -0.023 0.000 1.017 176 T CA -0.542 61.538 62.100 -0.033 0.000 1.022 176 T CB 2.499 71.347 68.868 -0.034 0.000 1.013 176 T HN 0.368 nan 8.240 nan 0.000 0.465 177 V N 3.175 123.079 119.914 -0.017 0.000 2.638 177 V HA 0.801 4.921 4.120 -0.000 0.000 0.306 177 V C -1.191 174.898 176.094 -0.008 0.000 1.052 177 V CA -0.587 61.707 62.300 -0.011 0.000 0.885 177 V CB 1.556 33.376 31.823 -0.005 0.000 0.999 177 V HN 1.045 nan 8.190 nan 0.000 0.424 178 E N 3.494 123.690 120.200 -0.008 0.000 2.445 178 E HA 0.523 4.873 4.350 -0.000 0.000 0.273 178 E C -1.564 175.033 176.600 -0.005 0.000 0.961 178 E CA -1.142 55.255 56.400 -0.006 0.000 0.807 178 E CB 1.343 31.038 29.700 -0.009 0.000 1.362 178 E HN 0.548 nan 8.360 nan 0.000 0.453 179 D N 0.668 121.066 120.400 -0.004 0.000 2.472 179 D HA 0.178 4.818 4.640 -0.000 0.000 0.237 179 D C 0.200 176.497 176.300 -0.005 0.000 1.141 179 D CA 0.520 54.517 54.000 -0.004 0.000 0.875 179 D CB 0.942 41.740 40.800 -0.003 0.000 1.192 179 D HN 0.549 nan 8.370 nan 0.000 0.450 180 G N -0.392 108.406 108.800 -0.004 0.000 2.504 180 G HA2 0.307 4.267 3.960 -0.000 0.000 0.288 180 G HA3 0.307 4.267 3.960 -0.000 0.000 0.288 180 G C 0.949 175.846 174.900 -0.005 0.000 1.182 180 G CA -0.338 44.759 45.100 -0.005 0.000 0.894 180 G HN 0.445 nan 8.290 nan 0.000 0.521 181 T N -2.923 111.628 114.554 -0.005 0.000 3.107 181 T HA 0.478 4.828 4.350 -0.000 0.000 0.249 181 T C 0.892 175.589 174.700 -0.005 0.000 1.096 181 T CA 0.555 62.652 62.100 -0.005 0.000 1.012 181 T CB -0.081 68.784 68.868 -0.006 0.000 0.977 181 T HN 1.960 nan 8.240 nan 0.000 0.527 182 G N 1.179 109.976 108.800 -0.004 0.000 2.326 182 G HA2 0.255 4.215 3.960 -0.000 0.000 0.299 182 G HA3 0.255 4.215 3.960 -0.000 0.000 0.299 182 G C -0.582 174.315 174.900 -0.003 0.000 1.643 182 G CA -0.736 44.362 45.100 -0.004 0.000 0.916 182 G HN 0.493 nan 8.290 nan 0.000 0.700 183 L N 1.501 122.722 121.223 -0.003 0.000 5.090 183 L HA -0.149 4.191 4.340 -0.000 0.000 0.471 183 L C -0.150 176.718 176.870 -0.003 0.000 1.241 183 L CA 1.989 56.827 54.840 -0.003 0.000 0.601 183 L CB -1.119 40.938 42.059 -0.003 0.000 1.240 183 L HN 0.946 nan 8.230 nan 0.000 0.641 184 Q N 1.889 121.688 119.800 -0.003 0.000 3.349 184 Q HA 0.081 4.421 4.340 -0.000 0.000 0.159 184 Q C -1.195 174.803 176.000 -0.004 0.000 0.979 184 Q CA -0.619 55.182 55.803 -0.003 0.000 1.248 184 Q CB 0.833 29.569 28.738 -0.004 0.000 1.740 184 Q HN 0.505 nan 8.270 nan 0.000 0.602 185 D N 2.530 122.928 120.400 -0.004 0.000 2.360 185 D HA 0.270 4.910 4.640 -0.000 0.000 0.242 185 D C -0.244 176.053 176.300 -0.005 0.000 1.184 185 D CA 0.284 54.282 54.000 -0.004 0.000 0.930 185 D CB 0.939 41.736 40.800 -0.004 0.000 1.161 185 D HN 0.349 nan 8.370 nan 0.000 0.447 186 E N -0.114 120.082 120.200 -0.006 0.000 2.308 186 E HA 0.478 4.828 4.350 -0.000 0.000 0.275 186 E C -1.220 175.376 176.600 -0.007 0.000 0.890 186 E CA -0.868 55.528 56.400 -0.006 0.000 0.754 186 E CB 2.489 32.185 29.700 -0.007 0.000 1.207 186 E HN 0.074 nan 8.360 nan 0.000 0.426 187 L N 2.502 123.721 121.223 -0.007 0.000 2.376 187 L HA 0.546 4.886 4.340 -0.000 0.000 0.275 187 L C -1.745 175.120 176.870 -0.009 0.000 0.987 187 L CA -0.098 54.737 54.840 -0.008 0.000 0.828 187 L CB 1.388 43.443 42.059 -0.008 0.000 1.249 187 L HN 0.469 nan 8.230 nan 0.000 0.409 188 D N 3.961 124.356 120.400 -0.010 0.000 2.857 188 D HA 0.427 5.067 4.640 -0.000 0.000 0.227 188 D C -1.172 175.122 176.300 -0.011 0.000 1.192 188 D CA -0.244 53.750 54.000 -0.010 0.000 0.857 188 D CB 2.954 43.748 40.800 -0.010 0.000 1.645 188 D HN 0.264 nan 8.370 nan 0.000 0.482 189 V N 1.491 121.399 119.914 -0.010 0.000 2.427 189 V HA 0.467 4.587 4.120 -0.000 0.000 0.286 189 V C 0.381 176.469 176.094 -0.010 0.000 1.034 189 V CA -0.633 61.660 62.300 -0.011 0.000 0.893 189 V CB 1.478 33.295 31.823 -0.009 0.000 0.982 189 V HN 0.440 nan 8.190 nan 0.000 0.452 190 V N 1.306 121.213 119.914 -0.011 0.000 2.914 190 V HA 0.663 4.783 4.120 -0.000 0.000 0.314 190 V C -0.134 175.955 176.094 -0.008 0.000 1.084 190 V CA -1.015 61.279 62.300 -0.010 0.000 0.963 190 V CB 2.016 33.832 31.823 -0.012 0.000 1.025 190 V HN 0.705 nan 8.190 nan 0.000 0.432 191 E N 1.924 122.121 120.200 -0.005 0.000 2.585 191 E HA 0.458 4.808 4.350 -0.000 0.000 0.252 191 E C 0.349 176.949 176.600 -0.001 0.000 0.981 191 E CA 1.397 57.796 56.400 -0.002 0.000 0.943 191 E CB 0.612 30.312 29.700 0.000 0.000 0.923 191 E HN 1.253 nan 8.360 nan 0.000 0.486 192 G N 1.668 110.469 108.800 0.003 0.000 2.495 192 G HA2 0.554 4.514 3.960 -0.000 0.000 0.294 192 G HA3 0.554 4.514 3.960 -0.000 0.000 0.294 192 G C -1.233 173.675 174.900 0.013 0.000 1.397 192 G CA -0.621 44.481 45.100 0.004 0.000 0.790 192 G HN 0.402 nan 8.290 nan 0.000 0.486 193 M N -0.332 119.278 119.600 0.017 0.000 2.732 193 M HA 0.626 5.106 4.480 -0.000 0.000 0.272 193 M C -2.310 173.996 176.300 0.009 0.000 1.203 193 M CA -0.687 54.635 55.300 0.037 0.000 0.841 193 M CB 2.480 35.133 32.600 0.088 0.000 1.685 193 M HN 0.766 nan 8.290 nan 0.000 0.492 194 Q N 2.952 122.762 119.800 0.017 0.000 2.268 194 Q HA 0.584 4.924 4.340 -0.000 0.000 0.266 194 Q C -2.249 173.759 176.000 0.014 0.000 1.006 194 Q CA -0.637 55.113 55.803 -0.088 0.000 0.824 194 Q CB 1.892 30.567 28.738 -0.104 0.000 1.306 194 Q HN 0.593 nan 8.270 nan 0.000 0.424 195 F N 0.046 119.987 119.950 -0.015 0.000 2.598 195 F HA 0.571 5.098 4.527 -0.000 0.000 0.327 195 F C -0.178 175.615 175.800 -0.012 0.000 1.057 195 F CA -1.159 56.835 58.000 -0.010 0.000 0.957 195 F CB 1.067 40.065 39.000 -0.004 0.000 1.278 195 F HN 0.310 nan 8.300 nan 0.000 0.484 196 D N 2.614 123.154 120.400 0.234 0.000 2.801 196 D HA 0.153 4.793 4.640 -0.000 0.000 0.232 196 D C -0.244 176.149 176.300 0.154 0.000 1.128 196 D CA 0.263 54.336 54.000 0.122 0.000 1.003 196 D CB -0.082 40.773 40.800 0.092 0.000 1.110 196 D HN 0.266 nan 8.370 nan 0.000 0.477 197 R N 0.054 120.662 120.500 0.180 0.000 2.621 197 R HA 0.581 4.920 4.340 -0.000 0.000 0.284 197 R C 0.286 176.597 176.300 0.019 0.000 0.998 197 R CA -0.735 55.467 56.100 0.171 0.000 0.895 197 R CB 2.245 32.772 30.300 0.378 0.000 1.195 197 R HN 0.170 nan 8.270 nan 0.000 0.450 198 G N 0.840 109.610 108.800 -0.049 0.000 2.705 198 G HA2 0.452 4.412 3.960 -0.000 0.000 0.299 198 G HA3 0.452 4.412 3.960 -0.000 0.000 0.299 198 G C -0.765 174.081 174.900 -0.090 0.000 1.315 198 G CA -0.586 44.389 45.100 -0.209 0.000 1.045 198 G HN 0.439 nan 8.290 nan 0.000 0.517 199 Y N -0.925 119.429 120.300 0.090 0.000 2.702 199 Y HA 0.233 4.783 4.550 -0.000 0.000 0.336 199 Y C 1.179 177.201 175.900 0.203 0.000 1.235 199 Y CA -1.017 57.178 58.100 0.157 0.000 1.492 199 Y CB 0.260 38.858 38.460 0.231 0.000 1.308 199 Y HN 0.185 nan 8.280 nan 0.000 0.589 200 L N 2.074 123.591 121.223 0.491 0.000 2.610 200 L HA 0.090 4.430 4.340 -0.000 0.000 0.232 200 L C 0.606 177.717 176.870 0.403 0.000 1.149 200 L CA 0.884 55.957 54.840 0.388 0.000 0.872 200 L CB -0.308 41.944 42.059 0.321 0.000 0.992 200 L HN 0.826 nan 8.230 nan 0.000 0.447 201 S N -2.086 113.911 115.700 0.495 0.000 2.606 201 S HA 0.336 4.806 4.470 -0.000 0.000 0.290 201 S C -2.624 171.908 174.600 -0.113 0.000 1.103 201 S CA -0.962 57.348 58.200 0.184 0.000 0.870 201 S CB 1.503 64.696 63.200 -0.012 0.000 1.077 201 S HN -0.249 nan 8.310 nan 0.000 0.448 202 P HA 0.344 nan 4.420 nan 0.000 0.330 202 P C 0.171 177.220 177.300 -0.418 0.000 1.377 202 P CA 0.551 63.204 63.100 -0.744 0.000 0.793 202 P CB -0.010 31.287 31.700 -0.672 0.000 1.813 203 Y N -4.669 115.445 120.300 -0.310 0.000 2.832 203 Y HA -0.316 4.234 4.550 -0.000 0.000 0.490 203 Y C 1.895 177.692 175.900 -0.171 0.000 1.101 203 Y CA 1.633 59.582 58.100 -0.251 0.000 2.919 203 Y CB -2.963 35.294 38.460 -0.338 0.000 0.865 203 Y HN 0.099 nan 8.280 nan 0.000 0.549 204 F N 0.586 120.541 119.950 0.008 0.000 2.333 204 F HA -0.053 4.474 4.527 -0.000 0.000 0.300 204 F C 1.444 177.226 175.800 -0.030 0.000 1.083 204 F CA 0.628 58.631 58.000 0.006 0.000 1.395 204 F CB -0.568 38.448 39.000 0.026 0.000 1.056 204 F HN -0.012 nan 8.300 nan 0.000 0.529 205 I N 2.257 122.852 120.570 0.041 0.000 2.742 205 I HA -0.157 4.013 4.170 -0.000 0.000 0.287 205 I C 0.573 176.708 176.117 0.029 0.000 1.186 205 I CA 0.462 61.760 61.300 -0.003 0.000 1.417 205 I CB 0.062 37.986 38.000 -0.127 0.000 1.377 205 I HN 0.184 nan 8.210 nan 0.000 0.556 206 N N 4.773 123.503 118.700 0.050 0.000 2.197 206 N HA 0.077 4.817 4.740 -0.000 0.000 0.228 206 N C -0.186 175.341 175.510 0.028 0.000 1.212 206 N CA -0.269 52.805 53.050 0.041 0.000 0.883 206 N CB 0.561 39.080 38.487 0.053 0.000 1.107 206 N HN 0.297 nan 8.380 nan 0.000 0.519 207 K N 1.193 121.609 120.400 0.027 0.000 3.146 207 K HA 0.274 4.594 4.320 -0.000 0.000 0.168 207 K C -2.051 174.559 176.600 0.017 0.000 1.075 207 K CA -1.549 54.751 56.287 0.022 0.000 0.843 207 K CB 1.810 34.327 32.500 0.028 0.000 1.002 207 K HN 0.013 nan 8.250 nan 0.000 0.597 208 P HA -0.264 nan 4.420 nan 0.000 0.218 208 P C 0.586 177.887 177.300 0.002 0.000 1.152 208 P CA 1.603 64.700 63.100 -0.006 0.000 0.857 208 P CB 0.546 32.240 31.700 -0.011 0.000 0.787 209 E N 0.275 120.479 120.200 0.006 0.000 2.021 209 E HA -0.172 4.178 4.350 -0.000 0.000 0.200 209 E C 2.057 178.665 176.600 0.012 0.000 1.015 209 E CA 2.457 58.861 56.400 0.007 0.000 0.824 209 E CB -1.697 28.008 29.700 0.008 0.000 0.762 209 E HN 0.413 nan 8.360 nan 0.000 0.454 210 T N -2.516 112.050 114.554 0.020 0.000 3.129 210 T HA 0.294 4.644 4.350 -0.000 0.000 0.251 210 T C 1.385 176.113 174.700 0.046 0.000 1.117 210 T CA 0.156 62.273 62.100 0.029 0.000 1.034 210 T CB 0.004 68.890 68.868 0.030 0.000 0.968 210 T HN 0.396 nan 8.240 nan 0.000 0.526 211 G N 1.138 109.965 108.800 0.045 0.000 2.323 211 G HA2 0.052 4.012 3.960 -0.000 0.000 0.292 211 G HA3 0.052 4.012 3.960 -0.000 0.000 0.292 211 G C 0.118 175.104 174.900 0.143 0.000 1.040 211 G CA 0.030 45.172 45.100 0.070 0.000 0.942 211 G HN 1.187 nan 8.290 nan 0.000 0.506 212 A N -1.308 121.579 122.820 0.111 0.000 2.430 212 A HA 0.899 5.219 4.320 -0.000 0.000 0.300 212 A C -0.130 177.527 177.584 0.121 0.000 1.124 212 A CA -0.365 51.758 52.037 0.144 0.000 0.766 212 A CB 2.027 21.077 19.000 0.083 0.000 1.328 212 A HN 1.148 nan 8.150 nan 0.000 0.424 213 V N 1.033 121.036 119.914 0.148 0.000 2.439 213 V HA 0.465 4.585 4.120 -0.000 0.000 0.282 213 V C 0.073 176.201 176.094 0.056 0.000 1.039 213 V CA -0.192 62.175 62.300 0.111 0.000 0.913 213 V CB 1.143 33.048 31.823 0.137 0.000 0.983 213 V HN 0.905 nan 8.190 nan 0.000 0.460 214 E N 4.693 124.916 120.200 0.039 0.000 2.279 214 E HA 0.515 4.865 4.350 -0.000 0.000 0.252 214 E C -1.547 175.058 176.600 0.009 0.000 0.894 214 E CA -0.475 55.935 56.400 0.016 0.000 0.785 214 E CB 1.219 30.928 29.700 0.014 0.000 1.237 214 E HN 0.628 nan 8.360 nan 0.000 0.418 215 L N 3.409 124.630 121.223 -0.004 0.000 2.317 215 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 215 L C -0.003 176.853 176.870 -0.024 0.000 1.024 215 L CA -0.809 54.025 54.840 -0.010 0.000 0.810 215 L CB 1.609 43.659 42.059 -0.015 0.000 1.240 215 L HN 0.419 nan 8.230 nan 0.000 0.427 216 E N 1.394 121.577 120.200 -0.029 0.000 2.183 216 E HA 0.266 4.616 4.350 -0.000 0.000 0.271 216 E C -0.254 176.303 176.600 -0.071 0.000 0.919 216 E CA -0.638 55.736 56.400 -0.043 0.000 0.781 216 E CB 1.777 31.458 29.700 -0.033 0.000 1.140 216 E HN 0.596 nan 8.360 nan 0.000 0.402 217 S N 1.765 117.410 115.700 -0.091 0.000 3.559 217 S HA -0.125 4.345 4.470 -0.000 0.000 0.369 217 S C -2.142 172.323 174.600 -0.225 0.000 0.987 217 S CA 0.405 58.515 58.200 -0.149 0.000 1.187 217 S CB -1.251 61.862 63.200 -0.144 0.000 0.914 217 S HN 0.462 nan 8.310 nan 0.000 0.480 218 P HA 0.504 nan 4.420 nan 0.000 0.282 218 P C -0.114 177.078 177.300 -0.180 0.000 1.259 218 P CA -0.652 62.360 63.100 -0.146 0.000 0.826 218 P CB 0.578 32.250 31.700 -0.046 0.000 1.064 219 F N 0.698 120.649 119.950 0.001 0.000 2.371 219 F HA 0.404 4.931 4.527 -0.000 0.000 0.329 219 F C 0.922 176.724 175.800 0.002 0.000 1.107 219 F CA -0.251 57.750 58.000 0.002 0.000 1.137 219 F CB 0.611 39.612 39.000 0.002 0.000 1.214 219 F HN 0.057 nan 8.300 nan 0.000 0.536 220 I N 4.157 124.867 120.570 0.233 0.000 2.410 220 I HA 0.232 4.402 4.170 -0.000 0.000 0.286 220 I C -1.185 174.990 176.117 0.097 0.000 1.009 220 I CA -0.926 60.451 61.300 0.128 0.000 1.111 220 I CB 1.680 39.737 38.000 0.096 0.000 1.262 220 I HN 0.248 nan 8.210 nan 0.000 0.443 221 L N 8.354 129.617 121.223 0.067 0.000 2.265 221 L HA 0.453 4.793 4.340 -0.000 0.000 0.288 221 L C -0.865 176.020 176.870 0.024 0.000 1.058 221 L CA 0.096 54.956 54.840 0.034 0.000 0.809 221 L CB 0.608 42.680 42.059 0.020 0.000 1.179 221 L HN 0.456 nan 8.230 nan 0.000 0.429 222 L N 6.588 127.819 121.223 0.014 0.000 2.283 222 L HA 0.685 5.024 4.340 -0.000 0.000 0.281 222 L C -0.087 176.779 176.870 -0.007 0.000 1.033 222 L CA -0.458 54.382 54.840 -0.000 0.000 0.848 222 L CB 1.092 43.149 42.059 -0.004 0.000 1.226 222 L HN 0.791 nan 8.230 nan 0.000 0.429 223 A N 1.762 124.578 122.820 -0.007 0.000 2.323 223 A HA 0.333 4.653 4.320 -0.000 0.000 0.305 223 A C -0.430 177.149 177.584 -0.009 0.000 1.275 223 A CA -0.552 51.482 52.037 -0.006 0.000 0.804 223 A CB 0.726 19.727 19.000 0.001 0.000 1.152 223 A HN 0.689 nan 8.150 nan 0.000 0.487 224 D N 3.068 123.460 120.400 -0.012 0.000 2.545 224 D HA 0.363 5.003 4.640 -0.000 0.000 0.227 224 D C 0.176 176.474 176.300 -0.004 0.000 1.150 224 D CA 0.535 54.527 54.000 -0.013 0.000 1.046 224 D CB -0.600 40.189 40.800 -0.018 0.000 1.098 224 D HN 0.638 nan 8.370 nan 0.000 0.502 225 K N -0.170 120.231 120.400 0.002 0.000 3.255 225 K HA 0.247 4.567 4.320 -0.000 0.000 0.324 225 K C -1.345 175.265 176.600 0.016 0.000 1.085 225 K CA -1.205 55.087 56.287 0.009 0.000 0.804 225 K CB 0.450 32.954 32.500 0.008 0.000 1.480 225 K HN -0.116 nan 8.250 nan 0.000 0.406 226 K N 1.055 121.467 120.400 0.020 0.000 2.185 226 K HA 0.475 4.794 4.320 -0.000 0.000 0.269 226 K C -0.654 175.961 176.600 0.026 0.000 0.987 226 K CA -0.639 55.664 56.287 0.026 0.000 0.865 226 K CB 1.152 33.669 32.500 0.028 0.000 1.090 226 K HN 0.369 nan 8.250 nan 0.000 0.450 227 I N 2.144 122.733 120.570 0.032 0.000 2.330 227 I HA 0.091 4.261 4.170 -0.000 0.000 0.289 227 I C 0.493 176.631 176.117 0.036 0.000 1.001 227 I CA -0.088 61.231 61.300 0.031 0.000 1.193 227 I CB 1.631 39.652 38.000 0.034 0.000 1.345 227 I HN 0.646 nan 8.210 nan 0.000 0.461 228 S N 3.938 119.655 115.700 0.028 0.000 2.520 228 S HA 0.232 4.702 4.470 -0.000 0.000 0.219 228 S C 0.381 174.995 174.600 0.023 0.000 1.028 228 S CA -0.130 58.086 58.200 0.027 0.000 0.921 228 S CB 0.198 63.411 63.200 0.022 0.000 0.844 228 S HN 0.619 nan 8.310 nan 0.000 0.495 229 N N 0.895 119.607 118.700 0.021 0.000 2.352 229 N HA 0.364 5.104 4.740 -0.000 0.000 0.291 229 N C -0.441 175.080 175.510 0.018 0.000 1.040 229 N CA -0.292 52.768 53.050 0.017 0.000 0.864 229 N CB 2.083 40.578 38.487 0.012 0.000 1.440 229 N HN 0.025 nan 8.380 nan 0.000 0.483 230 I N 1.732 122.313 120.570 0.019 0.000 3.456 230 I HA -0.086 4.084 4.170 -0.000 0.000 0.291 230 I C 2.299 178.424 176.117 0.013 0.000 1.307 230 I CA 0.575 61.887 61.300 0.020 0.000 1.333 230 I CB -0.005 38.008 38.000 0.022 0.000 1.032 230 I HN 0.440 nan 8.210 nan 0.000 0.506 231 R N 0.842 121.348 120.500 0.010 0.000 2.115 231 R HA -0.173 4.167 4.340 -0.000 0.000 0.230 231 R C 1.795 178.098 176.300 0.005 0.000 1.111 231 R CA 1.598 57.701 56.100 0.006 0.000 0.976 231 R CB -0.023 30.280 30.300 0.005 0.000 0.870 231 R HN 0.477 nan 8.270 nan 0.000 0.445 232 E N -0.239 119.965 120.200 0.006 0.000 2.152 232 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 232 E C 1.989 178.590 176.600 0.002 0.000 0.983 232 E CA 0.809 57.211 56.400 0.003 0.000 0.818 232 E CB 0.045 29.749 29.700 0.005 0.000 0.758 232 E HN 0.283 nan 8.360 nan 0.000 0.467 233 M N 0.683 120.288 119.600 0.007 0.000 2.077 233 M HA -0.110 4.370 4.480 -0.000 0.000 0.261 233 M C 2.408 178.709 176.300 0.001 0.000 1.070 233 M CA 1.279 56.584 55.300 0.007 0.000 1.125 233 M CB -1.101 31.510 32.600 0.018 0.000 1.339 233 M HN 0.155 nan 8.290 nan 0.000 0.409 234 L N 0.196 121.421 121.223 0.004 0.000 2.113 234 L HA -0.315 4.025 4.340 -0.000 0.000 0.237 234 L C -0.205 176.661 176.870 -0.007 0.000 1.113 234 L CA 2.366 57.206 54.840 0.001 0.000 0.837 234 L CB -2.969 39.091 42.059 0.001 0.000 0.929 234 L HN 0.209 nan 8.230 nan 0.000 0.449 235 P HA -0.158 nan 4.420 nan 0.000 0.215 235 P C 1.824 179.105 177.300 -0.032 0.000 1.157 235 P CA 1.858 64.946 63.100 -0.020 0.000 0.874 235 P CB -0.067 31.622 31.700 -0.020 0.000 0.790 236 V N -0.004 119.890 119.914 -0.034 0.000 2.453 236 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 236 V C 2.848 178.914 176.094 -0.047 0.000 1.048 236 V CA 1.246 63.514 62.300 -0.054 0.000 1.049 236 V CB -1.153 30.642 31.823 -0.047 0.000 0.672 236 V HN 0.004 nan 8.190 nan 0.000 0.457 237 L N -0.179 121.033 121.223 -0.019 0.000 2.141 237 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 237 L C 2.542 179.411 176.870 -0.002 0.000 1.094 237 L CA 1.497 56.336 54.840 -0.001 0.000 0.763 237 L CB -0.474 41.593 42.059 0.013 0.000 0.908 237 L HN 0.425 nan 8.230 nan 0.000 0.437 238 E N 0.001 120.194 120.200 -0.011 0.000 2.158 238 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 238 E C 2.273 178.862 176.600 -0.018 0.000 0.982 238 E CA 0.887 57.282 56.400 -0.009 0.000 0.823 238 E CB -0.057 29.638 29.700 -0.009 0.000 0.766 238 E HN 0.471 nan 8.360 nan 0.000 0.468 239 A N 1.027 123.820 122.820 -0.046 0.000 1.968 239 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 239 A C 2.390 179.928 177.584 -0.076 0.000 1.169 239 A CA 0.776 52.768 52.037 -0.075 0.000 0.638 239 A CB -0.272 18.652 19.000 -0.127 0.000 0.812 239 A HN 0.100 nan 8.150 nan 0.000 0.446 240 V N -0.435 119.444 119.914 -0.059 0.000 2.719 240 V HA -0.106 4.014 4.120 -0.000 0.000 0.252 240 V C 2.916 179.054 176.094 0.074 0.000 1.065 240 V CA 1.358 63.671 62.300 0.023 0.000 1.086 240 V CB -0.737 31.115 31.823 0.048 0.000 0.700 240 V HN 0.591 nan 8.190 nan 0.000 0.467 241 A N -0.024 122.819 122.820 0.038 0.000 1.877 241 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 241 A C 1.540 179.151 177.584 0.046 0.000 1.186 241 A CA 1.162 53.224 52.037 0.041 0.000 0.620 241 A CB -0.219 18.795 19.000 0.025 0.000 0.822 241 A HN 0.535 nan 8.150 nan 0.000 0.443 242 K N -2.651 117.770 120.400 0.036 0.000 2.136 242 K HA 0.434 4.754 4.320 -0.000 0.000 0.237 242 K C 1.115 177.760 176.600 0.075 0.000 1.048 242 K CA 0.196 56.507 56.287 0.040 0.000 0.880 242 K CB 0.117 32.630 32.500 0.022 0.000 1.105 242 K HN 0.738 nan 8.250 nan 0.000 0.507 243 A N 0.112 122.981 122.820 0.082 0.000 4.320 243 A HA -0.233 4.087 4.320 -0.000 0.000 0.253 243 A C 1.237 178.890 177.584 0.115 0.000 0.699 243 A CA 1.774 53.889 52.037 0.130 0.000 1.188 243 A CB -2.494 16.653 19.000 0.246 0.000 1.126 243 A HN 1.511 nan 8.150 nan 0.000 0.699 244 G N -0.769 108.091 108.800 0.101 0.000 2.366 244 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.299 244 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.299 244 G C -0.150 174.791 174.900 0.068 0.000 1.020 244 G CA 1.483 46.627 45.100 0.074 0.000 1.026 244 G HN 1.180 nan 8.290 nan 0.000 0.512 245 K N 0.430 120.896 120.400 0.111 0.000 2.375 245 K HA 0.546 4.866 4.320 -0.000 0.000 0.249 245 K C -2.098 174.560 176.600 0.096 0.000 0.942 245 K CA -2.068 54.251 56.287 0.054 0.000 0.806 245 K CB 2.846 35.303 32.500 -0.071 0.000 1.227 245 K HN 0.088 nan 8.250 nan 0.000 0.430 246 P HA 0.115 nan 4.420 nan 0.000 0.275 246 P C -1.114 176.244 177.300 0.096 0.000 1.270 246 P CA -0.468 62.666 63.100 0.056 0.000 0.791 246 P CB 0.635 32.347 31.700 0.020 0.000 1.089 247 L N -0.167 121.101 121.223 0.075 0.000 2.455 247 L HA 0.536 4.876 4.340 -0.000 0.000 0.264 247 L C -1.579 175.305 176.870 0.023 0.000 0.968 247 L CA -0.970 53.924 54.840 0.090 0.000 0.827 247 L CB 1.775 43.892 42.059 0.095 0.000 1.317 247 L HN 0.151 nan 8.230 nan 0.000 0.407 248 L N 5.720 126.964 121.223 0.035 0.000 2.296 248 L HA 0.644 4.984 4.340 -0.000 0.000 0.286 248 L C -1.226 175.652 176.870 0.014 0.000 1.023 248 L CA -0.213 54.626 54.840 -0.002 0.000 0.812 248 L CB 1.304 43.376 42.059 0.022 0.000 1.223 248 L HN 0.443 nan 8.230 nan 0.000 0.421 249 I N 7.213 127.772 120.570 -0.019 0.000 2.328 249 I HA 0.317 4.487 4.170 -0.000 0.000 0.287 249 I C -0.260 175.871 176.117 0.023 0.000 1.012 249 I CA -0.220 61.083 61.300 0.005 0.000 1.195 249 I CB 1.026 39.026 38.000 -0.000 0.000 1.350 249 I HN 0.543 nan 8.210 nan 0.000 0.464 250 I N 5.956 126.546 120.570 0.033 0.000 2.371 250 I HA 0.563 4.733 4.170 -0.000 0.000 0.282 250 I C 0.374 176.492 176.117 0.001 0.000 1.031 250 I CA -0.187 61.131 61.300 0.030 0.000 1.180 250 I CB 1.230 39.241 38.000 0.020 0.000 1.336 250 I HN 0.633 nan 8.210 nan 0.000 0.467 251 A N 4.510 127.337 122.820 0.010 0.000 2.437 251 A HA 0.448 4.768 4.320 -0.000 0.000 0.288 251 A C 0.878 178.466 177.584 0.007 0.000 1.201 251 A CA -0.530 51.510 52.037 0.006 0.000 0.795 251 A CB 1.270 20.282 19.000 0.020 0.000 1.359 251 A HN 0.686 nan 8.150 nan 0.000 0.435 252 E N -0.766 119.441 120.200 0.011 0.000 2.204 252 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 252 E C -0.457 176.164 176.600 0.036 0.000 0.990 252 E CA 1.402 57.814 56.400 0.019 0.000 0.821 252 E CB 0.174 29.887 29.700 0.022 0.000 0.750 252 E HN 0.560 nan 8.360 nan 0.000 0.477 253 D N -2.038 118.386 120.400 0.041 0.000 2.983 253 D HA 0.065 4.705 4.640 -0.000 0.000 0.269 253 D C -1.911 174.425 176.300 0.059 0.000 1.121 253 D CA -0.430 53.603 54.000 0.056 0.000 0.724 253 D CB 1.510 42.342 40.800 0.053 0.000 1.381 253 D HN -0.147 nan 8.370 nan 0.000 0.442 254 V N 2.617 122.577 119.914 0.078 0.000 2.409 254 V HA 0.469 4.589 4.120 -0.000 0.000 0.290 254 V C -0.031 176.114 176.094 0.086 0.000 1.017 254 V CA -0.525 61.825 62.300 0.084 0.000 0.841 254 V CB 1.518 33.408 31.823 0.112 0.000 1.003 254 V HN 0.404 nan 8.190 nan 0.000 0.426 255 E N 2.250 122.488 120.200 0.064 0.000 2.316 255 E HA 0.719 5.069 4.350 -0.000 0.000 0.258 255 E C 1.084 177.710 176.600 0.042 0.000 0.952 255 E CA -0.208 56.224 56.400 0.053 0.000 0.818 255 E CB 1.563 31.288 29.700 0.041 0.000 1.260 255 E HN 0.744 nan 8.360 nan 0.000 0.416 256 G N 1.321 110.139 108.800 0.031 0.000 2.667 256 G HA2 -0.480 3.480 3.960 -0.000 0.000 0.379 256 G HA3 -0.480 3.480 3.960 -0.000 0.000 0.379 256 G C 1.151 176.059 174.900 0.014 0.000 1.236 256 G CA 1.087 46.199 45.100 0.019 0.000 0.946 256 G HN 0.726 nan 8.290 nan 0.000 0.573 257 E N 0.972 121.178 120.200 0.010 0.000 2.136 257 E HA -0.234 4.116 4.350 -0.000 0.000 0.202 257 E C 2.867 179.476 176.600 0.014 0.000 1.019 257 E CA 2.444 58.848 56.400 0.006 0.000 0.819 257 E CB -0.599 29.105 29.700 0.006 0.000 0.739 257 E HN 0.714 nan 8.360 nan 0.000 0.458 258 A N 0.904 123.740 122.820 0.026 0.000 1.873 258 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 258 A C 2.204 179.824 177.584 0.060 0.000 1.186 258 A CA 1.304 53.365 52.037 0.040 0.000 0.616 258 A CB -0.621 18.406 19.000 0.045 0.000 0.823 258 A HN 0.341 nan 8.150 nan 0.000 0.442 259 L N -0.184 121.078 121.223 0.066 0.000 2.027 259 L HA 0.007 4.347 4.340 -0.000 0.000 0.206 259 L C 2.678 179.563 176.870 0.025 0.000 1.074 259 L CA 2.149 57.044 54.840 0.092 0.000 0.745 259 L CB -0.876 41.238 42.059 0.092 0.000 0.898 259 L HN 0.341 nan 8.230 nan 0.000 0.433 260 A N -1.247 121.567 122.820 -0.010 0.000 1.873 260 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 260 A C 2.279 179.827 177.584 -0.061 0.000 1.193 260 A CA 2.673 54.674 52.037 -0.060 0.000 0.629 260 A CB -1.403 17.568 19.000 -0.048 0.000 0.826 260 A HN 0.533 nan 8.150 nan 0.000 0.447 261 T N 0.375 114.917 114.554 -0.019 0.000 2.788 261 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 261 T C 1.789 176.496 174.700 0.012 0.000 1.044 261 T CA 1.467 63.562 62.100 -0.008 0.000 1.139 261 T CB -0.360 68.513 68.868 0.009 0.000 0.867 261 T HN 0.368 nan 8.240 nan 0.000 0.454 262 L N 0.621 121.878 121.223 0.056 0.000 2.093 262 L HA -0.046 4.293 4.340 -0.000 0.000 0.208 262 L C 2.641 179.571 176.870 0.099 0.000 1.085 262 L CA 0.731 55.657 54.840 0.143 0.000 0.755 262 L CB -0.600 41.624 42.059 0.274 0.000 0.904 262 L HN 0.148 nan 8.230 nan 0.000 0.435 263 V N -0.784 119.067 119.914 -0.104 0.000 2.407 263 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 263 V C 2.343 178.296 176.094 -0.235 0.000 1.055 263 V CA 1.317 63.398 62.300 -0.365 0.000 1.049 263 V CB -0.173 31.368 31.823 -0.469 0.000 0.662 263 V HN 0.164 nan 8.190 nan 0.000 0.455 264 V N 0.376 120.194 119.914 -0.159 0.000 2.221 264 V HA -0.257 3.863 4.120 -0.000 0.000 0.240 264 V C 2.129 178.194 176.094 -0.048 0.000 1.041 264 V CA 2.488 64.717 62.300 -0.119 0.000 0.991 264 V CB -0.916 30.851 31.823 -0.095 0.000 0.634 264 V HN 0.594 nan 8.190 nan 0.000 0.450 265 N N 0.400 119.093 118.700 -0.012 0.000 2.049 265 N HA -0.274 4.466 4.740 -0.000 0.000 0.198 265 N C 1.810 177.344 175.510 0.039 0.000 1.030 265 N CA 2.196 55.256 53.050 0.017 0.000 0.870 265 N CB -0.357 38.150 38.487 0.033 0.000 1.045 265 N HN 0.715 nan 8.380 nan 0.000 0.434 266 T N -1.071 113.528 114.554 0.075 0.000 2.929 266 T HA -0.105 4.245 4.350 -0.000 0.000 0.271 266 T C 1.503 176.247 174.700 0.075 0.000 1.085 266 T CA 0.764 62.928 62.100 0.108 0.000 1.125 266 T CB -0.122 68.879 68.868 0.221 0.000 0.874 266 T HN 0.184 nan 8.240 nan 0.000 0.494 267 M N 0.399 120.018 119.600 0.032 0.000 2.568 267 M HA 0.322 4.802 4.480 -0.000 0.000 0.226 267 M C 1.037 177.341 176.300 0.007 0.000 1.148 267 M CA 0.138 55.446 55.300 0.013 0.000 1.007 267 M CB -0.017 32.559 32.600 -0.040 0.000 1.651 267 M HN 0.091 nan 8.290 nan 0.000 0.488 268 R N -1.426 119.082 120.500 0.014 0.000 2.569 268 R HA 0.242 4.582 4.340 -0.000 0.000 0.422 268 R C 0.870 177.180 176.300 0.017 0.000 0.980 268 R CA 0.395 56.501 56.100 0.009 0.000 1.164 268 R CB 0.750 31.050 30.300 0.001 0.000 1.520 268 R HN 0.456 nan 8.270 nan 0.000 0.567 269 G N 1.732 110.548 108.800 0.028 0.000 2.186 269 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.266 269 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.266 269 G C 0.376 175.294 174.900 0.031 0.000 0.982 269 G CA 0.385 45.503 45.100 0.030 0.000 0.670 269 G HN 0.355 nan 8.290 nan 0.000 0.533 270 I N 1.143 121.731 120.570 0.031 0.000 2.212 270 I HA 0.376 4.546 4.170 -0.000 0.000 0.285 270 I C 0.562 176.704 176.117 0.042 0.000 1.116 270 I CA -0.485 60.833 61.300 0.030 0.000 1.644 270 I CB -0.159 37.855 38.000 0.023 0.000 1.485 270 I HN 0.088 nan 8.210 nan 0.000 0.728 271 V N 2.664 122.605 119.914 0.046 0.000 3.379 271 V HA -0.194 3.926 4.120 -0.000 0.000 0.484 271 V C -0.064 176.072 176.094 0.070 0.000 0.682 271 V CA -0.035 62.299 62.300 0.057 0.000 2.029 271 V CB -0.820 31.037 31.823 0.057 0.000 2.475 271 V HN 0.629 nan 8.190 nan 0.000 0.502 272 K N 4.030 124.470 120.400 0.068 0.000 2.316 272 K HA 0.716 5.035 4.320 -0.000 0.000 0.289 272 K C -0.396 176.246 176.600 0.070 0.000 1.070 272 K CA -0.107 56.226 56.287 0.077 0.000 0.928 272 K CB 1.442 33.977 32.500 0.058 0.000 1.039 272 K HN 0.572 nan 8.250 nan 0.000 0.480 273 V N 1.367 121.334 119.914 0.089 0.000 2.925 273 V HA 0.844 4.964 4.120 -0.000 0.000 0.311 273 V C -1.024 174.964 176.094 -0.176 0.000 1.104 273 V CA -1.116 61.194 62.300 0.016 0.000 0.954 273 V CB 2.157 34.020 31.823 0.068 0.000 1.022 273 V HN 0.751 nan 8.190 nan 0.000 0.427 274 A N 2.497 125.076 122.820 -0.401 0.000 2.455 274 A HA 0.984 5.304 4.320 -0.000 0.000 0.300 274 A C -0.642 176.559 177.584 -0.639 0.000 1.040 274 A CA -0.153 51.324 52.037 -0.933 0.000 0.697 274 A CB 1.808 20.529 19.000 -0.465 0.000 1.265 274 A HN 1.596 nan 8.150 nan 0.000 0.407 275 A N 1.231 123.579 122.820 -0.785 0.000 2.355 275 A HA 0.870 5.190 4.320 -0.000 0.000 0.317 275 A C -0.356 177.212 177.584 -0.027 0.000 1.094 275 A CA -0.134 51.778 52.037 -0.209 0.000 0.764 275 A CB 1.285 20.270 19.000 -0.025 0.000 1.230 275 A HN 2.302 nan 8.150 nan 0.000 0.448 276 V N -0.534 119.411 119.914 0.053 0.000 2.971 276 V HA 0.600 4.720 4.120 -0.000 0.000 0.309 276 V C -0.503 175.665 176.094 0.123 0.000 1.130 276 V CA -1.238 61.138 62.300 0.126 0.000 0.964 276 V CB 1.429 33.357 31.823 0.176 0.000 1.029 276 V HN 0.885 nan 8.190 nan 0.000 0.427 277 K N 2.001 122.474 120.400 0.122 0.000 2.336 277 K HA 0.616 4.936 4.320 -0.000 0.000 0.262 277 K C 0.547 177.166 176.600 0.033 0.000 0.992 277 K CA 0.394 56.728 56.287 0.078 0.000 0.927 277 K CB 0.974 33.522 32.500 0.080 0.000 0.956 277 K HN 1.134 nan 8.250 nan 0.000 0.495 278 A N 3.256 126.052 122.820 -0.040 0.000 2.346 278 A HA 0.281 4.601 4.320 -0.000 0.000 0.252 278 A C -2.128 175.349 177.584 -0.178 0.000 1.089 278 A CA -1.176 50.753 52.037 -0.180 0.000 0.797 278 A CB -0.235 18.683 19.000 -0.137 0.000 1.047 278 A HN 0.483 nan 8.150 nan 0.000 0.494 279 P HA 0.414 nan 4.420 nan 0.000 0.279 279 P C 0.601 177.870 177.300 -0.052 0.000 1.239 279 P CA 1.351 64.347 63.100 -0.172 0.000 0.789 279 P CB 0.816 32.337 31.700 -0.300 0.000 0.933 280 G N 2.323 111.157 108.800 0.057 0.000 2.697 280 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.240 280 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.240 280 G C -0.714 174.310 174.900 0.206 0.000 1.346 280 G CA 0.130 45.310 45.100 0.133 0.000 0.887 280 G HN 0.729 nan 8.290 nan 0.000 0.569 281 F N -2.682 117.269 119.950 0.003 0.000 2.824 281 F HA 0.840 5.367 4.527 -0.000 0.000 0.330 281 F C 1.129 176.933 175.800 0.007 0.000 1.175 281 F CA 0.224 58.226 58.000 0.004 0.000 0.974 281 F CB 0.679 39.688 39.000 0.014 0.000 1.430 281 F HN 2.464 nan 8.300 nan 0.000 0.507 282 G N 1.102 109.849 108.800 -0.087 0.000 2.582 282 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.288 282 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.288 282 G C 0.294 175.083 174.900 -0.185 0.000 1.247 282 G CA 0.742 45.722 45.100 -0.201 0.000 0.972 282 G HN 0.893 nan 8.290 nan 0.000 0.557 283 D N 0.583 120.868 120.400 -0.192 0.000 2.084 283 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 283 D C 2.443 178.658 176.300 -0.142 0.000 0.985 283 D CA 1.603 55.526 54.000 -0.128 0.000 0.826 283 D CB -0.349 40.394 40.800 -0.096 0.000 0.978 283 D HN 0.668 nan 8.370 nan 0.000 0.456 284 R N 1.460 121.845 120.500 -0.191 0.000 2.261 284 R HA -0.112 4.227 4.340 -0.000 0.000 0.236 284 R C 2.085 178.300 176.300 -0.142 0.000 1.141 284 R CA 1.112 57.117 56.100 -0.159 0.000 1.001 284 R CB -0.259 29.937 30.300 -0.173 0.000 0.866 284 R HN 0.076 nan 8.270 nan 0.000 0.468 285 R N 1.096 121.504 120.500 -0.154 0.000 2.115 285 R HA -0.062 4.278 4.340 -0.000 0.000 0.226 285 R C 1.238 177.481 176.300 -0.095 0.000 1.100 285 R CA 1.472 57.508 56.100 -0.108 0.000 0.980 285 R CB 0.019 30.279 30.300 -0.067 0.000 0.875 285 R HN 0.318 nan 8.270 nan 0.000 0.445 286 K N -0.053 120.297 120.400 -0.084 0.000 2.167 286 K HA 0.042 4.362 4.320 -0.000 0.000 0.203 286 K C 2.052 178.612 176.600 -0.067 0.000 1.052 286 K CA 0.936 57.183 56.287 -0.066 0.000 0.956 286 K CB 0.061 32.529 32.500 -0.053 0.000 0.735 286 K HN 0.173 nan 8.250 nan 0.000 0.451 287 A N 1.443 124.219 122.820 -0.074 0.000 1.930 287 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 287 A C 2.106 179.649 177.584 -0.069 0.000 1.175 287 A CA 1.260 53.258 52.037 -0.065 0.000 0.627 287 A CB -0.374 18.585 19.000 -0.068 0.000 0.815 287 A HN 0.153 nan 8.150 nan 0.000 0.443 288 M N -0.836 118.711 119.600 -0.087 0.000 2.254 288 M HA 0.026 4.505 4.480 -0.000 0.000 0.265 288 M C 2.057 178.287 176.300 -0.116 0.000 1.066 288 M CA 0.925 56.165 55.300 -0.100 0.000 1.123 288 M CB -0.325 32.199 32.600 -0.127 0.000 1.388 288 M HN 0.358 nan 8.290 nan 0.000 0.425 289 L N 0.087 121.240 121.223 -0.116 0.000 2.083 289 L HA -0.245 4.095 4.340 -0.000 0.000 0.209 289 L C 2.656 179.487 176.870 -0.065 0.000 1.083 289 L CA 1.296 56.072 54.840 -0.107 0.000 0.752 289 L CB -0.349 41.658 42.059 -0.086 0.000 0.899 289 L HN 0.328 nan 8.230 nan 0.000 0.433 290 Q N 0.240 120.008 119.800 -0.053 0.000 2.046 290 Q HA -0.208 4.132 4.340 -0.000 0.000 0.200 290 Q C 1.700 177.683 176.000 -0.028 0.000 0.975 290 Q CA 1.828 57.610 55.803 -0.035 0.000 0.836 290 Q CB -0.167 28.552 28.738 -0.033 0.000 0.896 290 Q HN 0.382 nan 8.270 nan 0.000 0.428 291 D N 0.041 120.420 120.400 -0.034 0.000 2.106 291 D HA -0.193 4.447 4.640 -0.000 0.000 0.191 291 D C 1.947 178.243 176.300 -0.007 0.000 0.997 291 D CA 1.662 55.650 54.000 -0.021 0.000 0.834 291 D CB -0.315 40.471 40.800 -0.024 0.000 0.956 291 D HN 0.374 nan 8.370 nan 0.000 0.448 292 I N 1.240 121.802 120.570 -0.014 0.000 2.208 292 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 292 I C 2.544 178.671 176.117 0.018 0.000 1.097 292 I CA 1.046 62.355 61.300 0.015 0.000 1.363 292 I CB -0.370 37.628 38.000 -0.002 0.000 1.051 292 I HN -0.067 nan 8.210 nan 0.000 0.413 293 A N 0.966 123.787 122.820 0.002 0.000 1.849 293 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 293 A C 2.410 180.002 177.584 0.013 0.000 1.202 293 A CA 2.922 54.964 52.037 0.008 0.000 0.629 293 A CB -1.366 17.632 19.000 -0.003 0.000 0.834 293 A HN 0.395 nan 8.150 nan 0.000 0.447 294 T N 0.619 115.177 114.554 0.006 0.000 2.624 294 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 294 T C 1.850 176.557 174.700 0.012 0.000 1.041 294 T CA 1.536 63.640 62.100 0.007 0.000 1.159 294 T CB -0.513 68.355 68.868 0.001 0.000 0.863 294 T HN 0.350 nan 8.240 nan 0.000 0.434 295 L N 1.732 122.964 121.223 0.016 0.000 2.042 295 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 295 L C 2.193 179.078 176.870 0.024 0.000 1.076 295 L CA 2.530 57.382 54.840 0.020 0.000 0.749 295 L CB -1.405 40.671 42.059 0.029 0.000 0.893 295 L HN 0.510 nan 8.230 nan 0.000 0.432 296 T N -3.820 110.753 114.554 0.030 0.000 3.145 296 T HA 0.298 4.648 4.350 -0.000 0.000 0.255 296 T C 1.243 175.966 174.700 0.039 0.000 1.039 296 T CA 0.293 62.414 62.100 0.035 0.000 0.928 296 T CB -0.223 68.674 68.868 0.048 0.000 1.029 296 T HN 0.577 nan 8.240 nan 0.000 0.554 297 G N 0.564 109.383 108.800 0.030 0.000 2.283 297 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.280 297 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.280 297 G C 0.417 175.341 174.900 0.039 0.000 1.029 297 G CA -0.042 45.077 45.100 0.031 0.000 0.840 297 G HN 1.043 nan 8.290 nan 0.000 0.505 298 G N -1.841 106.981 108.800 0.037 0.000 2.613 298 G HA2 0.766 4.726 3.960 -0.000 0.000 0.303 298 G HA3 0.766 4.726 3.960 -0.000 0.000 0.303 298 G C -0.437 174.474 174.900 0.019 0.000 1.312 298 G CA 0.186 45.309 45.100 0.037 0.000 1.036 298 G HN 0.647 nan 8.290 nan 0.000 0.513 299 T N 0.043 114.604 114.554 0.012 0.000 2.879 299 T HA 0.421 4.771 4.350 -0.000 0.000 0.290 299 T C -0.191 174.507 174.700 -0.003 0.000 0.993 299 T CA -0.287 61.814 62.100 0.002 0.000 0.975 299 T CB 1.712 70.579 68.868 -0.002 0.000 0.981 299 T HN 0.354 nan 8.240 nan 0.000 0.439 300 V N 4.518 124.427 119.914 -0.007 0.000 2.572 300 V HA 0.258 4.378 4.120 -0.000 0.000 0.291 300 V C 0.430 176.517 176.094 -0.012 0.000 1.039 300 V CA -0.282 62.011 62.300 -0.012 0.000 1.055 300 V CB 0.367 32.178 31.823 -0.019 0.000 0.969 300 V HN 0.786 nan 8.190 nan 0.000 0.482 301 I N 5.226 125.789 120.570 -0.011 0.000 2.316 301 I HA 0.204 4.374 4.170 -0.000 0.000 0.286 301 I C 0.488 176.599 176.117 -0.010 0.000 1.107 301 I CA 0.097 61.391 61.300 -0.010 0.000 1.219 301 I CB 0.467 38.461 38.000 -0.010 0.000 1.455 301 I HN 0.703 nan 8.210 nan 0.000 0.498 302 S N 2.736 118.430 115.700 -0.010 0.000 2.480 302 S HA 0.339 4.809 4.470 -0.000 0.000 0.286 302 S C 0.751 175.347 174.600 -0.007 0.000 1.180 302 S CA -0.816 57.378 58.200 -0.009 0.000 1.075 302 S CB 1.971 65.163 63.200 -0.012 0.000 0.996 302 S HN 0.541 nan 8.310 nan 0.000 0.487 303 E N 2.090 122.287 120.200 -0.004 0.000 2.110 303 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 303 E C 1.570 178.168 176.600 -0.003 0.000 0.988 303 E CA 1.354 57.753 56.400 -0.003 0.000 0.804 303 E CB -0.142 29.558 29.700 -0.000 0.000 0.745 303 E HN 0.823 nan 8.360 nan 0.000 0.458 304 E N 0.942 121.140 120.200 -0.004 0.000 2.055 304 E HA -0.244 4.106 4.350 -0.000 0.000 0.209 304 E C 2.027 178.624 176.600 -0.005 0.000 1.036 304 E CA 1.420 57.818 56.400 -0.004 0.000 0.849 304 E CB -0.333 29.363 29.700 -0.006 0.000 0.767 304 E HN 0.307 nan 8.360 nan 0.000 0.461 305 I N 0.030 120.596 120.570 -0.006 0.000 3.010 305 I HA -0.115 4.055 4.170 -0.000 0.000 0.271 305 I C 1.359 177.473 176.117 -0.005 0.000 1.293 305 I CA 0.795 62.091 61.300 -0.006 0.000 1.452 305 I CB -0.534 37.461 38.000 -0.008 0.000 1.082 305 I HN 0.392 nan 8.210 nan 0.000 0.484 306 G N 1.073 109.870 108.800 -0.005 0.000 2.132 306 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.228 306 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.228 306 G C 0.201 175.098 174.900 -0.005 0.000 1.000 306 G CA -0.313 44.785 45.100 -0.004 0.000 0.693 306 G HN 0.263 nan 8.290 nan 0.000 0.515 307 M N 0.197 119.794 119.600 -0.006 0.000 2.255 307 M HA 0.503 4.983 4.480 -0.000 0.000 0.336 307 M C 0.416 176.712 176.300 -0.006 0.000 1.135 307 M CA 0.191 55.487 55.300 -0.007 0.000 1.145 307 M CB 0.893 33.488 32.600 -0.008 0.000 1.473 307 M HN 0.233 nan 8.290 nan 0.000 0.462 308 E N 1.520 121.715 120.200 -0.007 0.000 2.238 308 E HA 0.281 4.631 4.350 -0.000 0.000 0.267 308 E C 0.148 176.742 176.600 -0.009 0.000 0.887 308 E CA -0.491 55.904 56.400 -0.007 0.000 0.769 308 E CB 2.143 31.839 29.700 -0.006 0.000 1.187 308 E HN 0.658 nan 8.360 nan 0.000 0.416 309 L N 1.772 122.991 121.223 -0.007 0.000 2.275 309 L HA -0.169 4.171 4.340 -0.000 0.000 0.215 309 L C 1.515 178.377 176.870 -0.013 0.000 1.119 309 L CA 1.143 55.977 54.840 -0.010 0.000 0.790 309 L CB -0.105 41.951 42.059 -0.005 0.000 0.919 309 L HN 0.569 nan 8.230 nan 0.000 0.443 310 E N 0.048 120.242 120.200 -0.011 0.000 2.152 310 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 310 E C 1.739 178.329 176.600 -0.017 0.000 0.983 310 E CA 0.814 57.206 56.400 -0.012 0.000 0.818 310 E CB 0.063 29.758 29.700 -0.009 0.000 0.758 310 E HN 0.242 nan 8.360 nan 0.000 0.467 311 K N 0.427 120.817 120.400 -0.016 0.000 2.487 311 K HA 0.234 4.554 4.320 -0.000 0.000 0.192 311 K C 0.217 176.803 176.600 -0.024 0.000 1.027 311 K CA 0.143 56.419 56.287 -0.018 0.000 1.054 311 K CB 0.472 32.963 32.500 -0.014 0.000 0.824 311 K HN 0.022 nan 8.250 nan 0.000 0.510 312 A N 2.291 125.094 122.820 -0.028 0.000 2.450 312 A HA 0.200 4.520 4.320 -0.000 0.000 0.255 312 A C 0.531 178.083 177.584 -0.054 0.000 1.096 312 A CA -0.116 51.898 52.037 -0.037 0.000 0.778 312 A CB 0.091 19.069 19.000 -0.036 0.000 1.031 312 A HN 0.270 nan 8.150 nan 0.000 0.494 313 T N 0.259 114.776 114.554 -0.062 0.000 2.942 313 T HA 0.506 4.856 4.350 -0.000 0.000 0.289 313 T C 1.057 175.680 174.700 -0.130 0.000 1.044 313 T CA -0.805 61.245 62.100 -0.083 0.000 1.023 313 T CB 0.878 69.710 68.868 -0.061 0.000 1.123 313 T HN 0.384 nan 8.240 nan 0.000 0.512 314 L N 0.226 121.338 121.223 -0.185 0.000 2.270 314 L HA -0.141 4.199 4.340 -0.000 0.000 0.217 314 L C 2.773 179.510 176.870 -0.222 0.000 1.107 314 L CA 1.763 56.407 54.840 -0.328 0.000 0.772 314 L CB -0.357 41.487 42.059 -0.358 0.000 0.902 314 L HN 0.902 nan 8.230 nan 0.000 0.439 315 E N -0.274 119.864 120.200 -0.104 0.000 2.216 315 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 315 E C 1.407 177.994 176.600 -0.021 0.000 0.988 315 E CA 0.721 57.099 56.400 -0.037 0.000 0.834 315 E CB 0.217 29.906 29.700 -0.019 0.000 0.772 315 E HN 0.463 nan 8.360 nan 0.000 0.479 316 D N 0.291 120.667 120.400 -0.041 0.000 2.269 316 D HA -0.078 4.562 4.640 -0.000 0.000 0.208 316 D C 0.188 176.484 176.300 -0.007 0.000 0.963 316 D CA 0.370 54.357 54.000 -0.022 0.000 0.864 316 D CB 0.103 40.885 40.800 -0.030 0.000 0.936 316 D HN 0.147 nan 8.370 nan 0.000 0.505 317 L N 1.016 122.223 121.223 -0.026 0.000 2.453 317 L HA 0.211 4.551 4.340 -0.000 0.000 0.272 317 L C 1.465 178.415 176.870 0.133 0.000 1.182 317 L CA 0.202 55.062 54.840 0.032 0.000 0.858 317 L CB 0.580 42.600 42.059 -0.065 0.000 1.120 317 L HN -0.160 nan 8.230 nan 0.000 0.474 318 G N 1.914 110.796 108.800 0.137 0.000 2.563 318 G HA2 0.513 4.473 3.960 -0.000 0.000 0.283 318 G HA3 0.513 4.473 3.960 -0.000 0.000 0.283 318 G C -0.945 174.054 174.900 0.165 0.000 1.309 318 G CA -0.229 44.945 45.100 0.123 0.000 1.022 318 G HN 0.581 nan 8.290 nan 0.000 0.501 319 Q N -1.935 117.915 119.800 0.084 0.000 2.438 319 Q HA 0.537 4.877 4.340 -0.000 0.000 0.272 319 Q C -1.437 174.554 176.000 -0.014 0.000 0.994 319 Q CA -0.661 55.152 55.803 0.016 0.000 0.887 319 Q CB 1.947 30.681 28.738 -0.007 0.000 1.432 319 Q HN 1.072 nan 8.270 nan 0.000 0.392 320 A N 2.380 125.172 122.820 -0.046 0.000 2.594 320 A HA 0.427 4.747 4.320 -0.000 0.000 0.295 320 A C -0.431 177.117 177.584 -0.060 0.000 1.071 320 A CA -0.629 51.385 52.037 -0.037 0.000 0.685 320 A CB 1.582 20.573 19.000 -0.015 0.000 1.285 320 A HN 0.817 nan 8.150 nan 0.000 0.405 321 K N -0.340 120.030 120.400 -0.049 0.000 2.211 321 K HA -0.086 4.234 4.320 -0.000 0.000 0.204 321 K C 0.803 177.374 176.600 -0.049 0.000 1.047 321 K CA 1.593 57.848 56.287 -0.053 0.000 0.935 321 K CB 0.075 32.552 32.500 -0.039 0.000 0.728 321 K HN 0.571 nan 8.250 nan 0.000 0.452 322 R N -0.566 119.909 120.500 -0.041 0.000 2.687 322 R HA 0.212 4.552 4.340 -0.000 0.000 0.265 322 R C -2.073 174.206 176.300 -0.035 0.000 1.048 322 R CA -0.643 55.435 56.100 -0.037 0.000 0.884 322 R CB 1.780 32.061 30.300 -0.032 0.000 1.258 322 R HN -0.055 nan 8.270 nan 0.000 0.469 323 V N -0.367 119.527 119.914 -0.034 0.000 2.888 323 V HA 0.845 4.965 4.120 -0.000 0.000 0.309 323 V C -1.436 174.633 176.094 -0.040 0.000 1.114 323 V CA -0.711 61.564 62.300 -0.042 0.000 0.940 323 V CB 2.143 33.945 31.823 -0.035 0.000 1.021 323 V HN 0.442 nan 8.190 nan 0.000 0.426 324 V N 4.874 124.753 119.914 -0.058 0.000 2.638 324 V HA 0.604 4.724 4.120 -0.000 0.000 0.306 324 V C -0.513 175.543 176.094 -0.063 0.000 1.052 324 V CA -0.320 61.955 62.300 -0.043 0.000 0.885 324 V CB 1.826 33.625 31.823 -0.041 0.000 0.999 324 V HN 0.864 nan 8.190 nan 0.000 0.424 325 I N 4.359 124.921 120.570 -0.014 0.000 2.418 325 I HA 0.465 4.635 4.170 -0.000 0.000 0.287 325 I C -0.036 176.096 176.117 0.025 0.000 1.008 325 I CA -0.488 60.801 61.300 -0.017 0.000 1.104 325 I CB 1.846 39.868 38.000 0.037 0.000 1.264 325 I HN 0.544 nan 8.210 nan 0.000 0.438 326 N N 4.374 123.015 118.700 -0.098 0.000 2.443 326 N HA 0.198 4.938 4.740 -0.000 0.000 0.294 326 N C 1.002 176.192 175.510 -0.532 0.000 1.289 326 N CA -0.357 52.610 53.050 -0.139 0.000 0.966 326 N CB 0.668 39.080 38.487 -0.125 0.000 1.122 326 N HN 0.512 nan 8.380 nan 0.000 0.569 327 K N -0.061 120.045 120.400 -0.491 0.000 2.217 327 K HA -0.098 4.222 4.320 -0.000 0.000 0.202 327 K C -0.515 175.763 176.600 -0.537 0.000 1.051 327 K CA 1.490 57.310 56.287 -0.779 0.000 0.952 327 K CB 0.085 32.470 32.500 -0.192 0.000 0.736 327 K HN 0.586 nan 8.250 nan 0.000 0.453 328 D N -1.239 118.982 120.400 -0.298 0.000 2.712 328 D HA 0.110 4.750 4.640 -0.000 0.000 0.300 328 D C -0.856 175.370 176.300 -0.124 0.000 1.521 328 D CA -0.444 53.456 54.000 -0.167 0.000 0.790 328 D CB 0.924 41.673 40.800 -0.085 0.000 1.155 328 D HN -0.179 nan 8.370 nan 0.000 0.456 329 T N -0.280 114.172 114.554 -0.171 0.000 2.993 329 T HA 0.613 4.963 4.350 -0.000 0.000 0.312 329 T C -1.185 173.363 174.700 -0.253 0.000 1.115 329 T CA -0.417 61.576 62.100 -0.177 0.000 1.027 329 T CB 2.173 70.958 68.868 -0.138 0.000 1.116 329 T HN -0.109 nan 8.240 nan 0.000 0.464 330 T N 2.180 116.469 114.554 -0.441 0.000 2.881 330 T HA 0.618 4.968 4.350 -0.000 0.000 0.291 330 T C -0.625 173.673 174.700 -0.670 0.000 0.990 330 T CA -0.532 61.223 62.100 -0.575 0.000 0.976 330 T CB 1.520 69.897 68.868 -0.818 0.000 0.970 330 T HN 0.625 nan 8.240 nan 0.000 0.438 331 T N 3.972 118.306 114.554 -0.367 0.000 2.840 331 T HA 0.631 4.981 4.350 -0.000 0.000 0.287 331 T C -0.446 174.160 174.700 -0.158 0.000 0.991 331 T CA -0.694 61.252 62.100 -0.258 0.000 0.964 331 T CB 0.106 68.875 68.868 -0.164 0.000 0.954 331 T HN 0.486 nan 8.240 nan 0.000 0.438 332 I N 6.080 126.586 120.570 -0.106 0.000 2.325 332 I HA 0.392 4.562 4.170 -0.000 0.000 0.291 332 I C -0.041 176.060 176.117 -0.027 0.000 1.019 332 I CA -0.681 60.598 61.300 -0.035 0.000 1.302 332 I CB 1.074 39.093 38.000 0.032 0.000 1.401 332 I HN 0.560 nan 8.210 nan 0.000 0.485 333 I N 5.975 126.528 120.570 -0.028 0.000 2.330 333 I HA 0.209 4.379 4.170 -0.000 0.000 0.289 333 I C -0.543 175.562 176.117 -0.020 0.000 1.001 333 I CA -0.373 60.912 61.300 -0.025 0.000 1.193 333 I CB 1.101 39.083 38.000 -0.030 0.000 1.345 333 I HN 0.623 nan 8.210 nan 0.000 0.461 334 D N 4.884 125.276 120.400 -0.014 0.000 4.044 334 D HA -0.103 4.537 4.640 -0.000 0.000 0.242 334 D C 0.129 176.423 176.300 -0.010 0.000 1.076 334 D CA 0.923 54.916 54.000 -0.013 0.000 1.171 334 D CB -0.083 40.707 40.800 -0.018 0.000 0.866 334 D HN 0.795 nan 8.370 nan 0.000 0.413 335 G N 0.891 109.690 108.800 -0.002 0.000 2.537 335 G HA2 0.430 4.389 3.960 -0.000 0.000 0.273 335 G HA3 0.430 4.389 3.960 -0.000 0.000 0.273 335 G C 1.282 176.183 174.900 0.001 0.000 1.189 335 G CA -0.310 44.792 45.100 0.004 0.000 0.881 335 G HN 0.424 nan 8.290 nan 0.000 0.535 336 V N 1.281 121.198 119.914 0.005 0.000 3.052 336 V HA 0.116 4.236 4.120 -0.000 0.000 0.254 336 V C 2.116 178.216 176.094 0.011 0.000 1.100 336 V CA 0.711 63.014 62.300 0.006 0.000 1.112 336 V CB -0.871 30.958 31.823 0.010 0.000 0.738 336 V HN 0.863 nan 8.190 nan 0.000 0.469 337 G N 1.331 110.139 108.800 0.014 0.000 2.349 337 G HA2 -0.004 3.955 3.960 -0.000 0.000 0.232 337 G HA3 -0.004 3.955 3.960 -0.000 0.000 0.232 337 G C -0.033 174.872 174.900 0.008 0.000 1.240 337 G CA -0.109 44.999 45.100 0.013 0.000 0.870 337 G HN 0.297 nan 8.290 nan 0.000 0.528 338 E N 1.612 121.816 120.200 0.008 0.000 2.360 338 E HA 0.035 4.385 4.350 -0.000 0.000 0.269 338 E C 1.486 178.089 176.600 0.003 0.000 1.022 338 E CA -0.159 56.244 56.400 0.005 0.000 0.887 338 E CB 1.043 30.747 29.700 0.005 0.000 0.990 338 E HN 0.702 nan 8.360 nan 0.000 0.426 339 E N 1.987 122.188 120.200 0.002 0.000 2.130 339 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 339 E C 1.683 178.283 176.600 0.001 0.000 0.998 339 E CA 1.426 57.826 56.400 0.001 0.000 0.806 339 E CB -0.018 29.682 29.700 -0.000 0.000 0.738 339 E HN 0.581 nan 8.360 nan 0.000 0.459 340 A N 1.821 124.642 122.820 0.001 0.000 1.873 340 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 340 A C 2.443 180.027 177.584 0.000 0.000 1.193 340 A CA 2.178 54.215 52.037 0.000 0.000 0.629 340 A CB -0.872 18.128 19.000 0.001 0.000 0.826 340 A HN 0.325 nan 8.150 nan 0.000 0.447 341 A N -0.125 122.696 122.820 0.001 0.000 1.835 341 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 341 A C 2.152 179.736 177.584 0.000 0.000 1.199 341 A CA 1.646 53.684 52.037 0.001 0.000 0.615 341 A CB -0.826 18.176 19.000 0.003 0.000 0.838 341 A HN 0.505 nan 8.150 nan 0.000 0.444 342 I N -0.688 119.883 120.570 0.001 0.000 2.194 342 I HA -0.310 3.860 4.170 -0.000 0.000 0.246 342 I C 2.773 178.889 176.117 -0.001 0.000 1.093 342 I CA 1.943 63.244 61.300 0.001 0.000 1.355 342 I CB -0.303 37.698 38.000 0.003 0.000 1.046 342 I HN 0.408 nan 8.210 nan 0.000 0.413 343 Q N 1.130 120.929 119.800 -0.002 0.000 2.230 343 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 343 Q C 2.018 178.016 176.000 -0.004 0.000 0.963 343 Q CA 1.794 57.595 55.803 -0.003 0.000 0.866 343 Q CB -0.519 28.218 28.738 -0.002 0.000 0.931 343 Q HN 0.471 nan 8.270 nan 0.000 0.452 344 G N -0.312 108.486 108.800 -0.004 0.000 2.430 344 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 344 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 344 G C 1.571 176.467 174.900 -0.006 0.000 1.146 344 G CA 0.573 45.670 45.100 -0.005 0.000 0.793 344 G HN 0.282 nan 8.290 nan 0.000 0.537 345 R N 0.585 121.081 120.500 -0.006 0.000 2.070 345 R HA -0.010 4.330 4.340 -0.000 0.000 0.233 345 R C 2.587 178.881 176.300 -0.010 0.000 1.137 345 R CA 1.577 57.672 56.100 -0.009 0.000 0.945 345 R CB -1.039 29.257 30.300 -0.007 0.000 0.845 345 R HN 0.169 nan 8.270 nan 0.000 0.430 346 V N 1.134 121.043 119.914 -0.008 0.000 2.287 346 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 346 V C 2.402 178.489 176.094 -0.011 0.000 1.053 346 V CA 2.059 64.353 62.300 -0.010 0.000 1.027 346 V CB -1.135 30.684 31.823 -0.007 0.000 0.646 346 V HN 0.559 nan 8.190 nan 0.000 0.447 347 A N -0.750 122.065 122.820 -0.009 0.000 1.892 347 A HA -0.332 3.988 4.320 -0.000 0.000 0.218 347 A C 2.170 179.748 177.584 -0.010 0.000 1.188 347 A CA 2.292 54.324 52.037 -0.009 0.000 0.631 347 A CB -0.525 18.470 19.000 -0.007 0.000 0.822 347 A HN 0.663 nan 8.150 nan 0.000 0.447 348 Q N -0.467 119.326 119.800 -0.011 0.000 1.975 348 Q HA -0.162 4.178 4.340 -0.000 0.000 0.205 348 Q C 2.147 178.138 176.000 -0.016 0.000 0.990 348 Q CA 1.785 57.580 55.803 -0.013 0.000 0.845 348 Q CB -0.442 28.288 28.738 -0.014 0.000 0.913 348 Q HN 0.734 nan 8.270 nan 0.000 0.420 349 I N 0.456 121.014 120.570 -0.018 0.000 2.145 349 I HA -0.346 3.824 4.170 -0.000 0.000 0.244 349 I C 2.635 178.739 176.117 -0.022 0.000 1.075 349 I CA 1.429 62.715 61.300 -0.023 0.000 1.332 349 I CB -0.378 37.607 38.000 -0.025 0.000 1.033 349 I HN 0.185 nan 8.210 nan 0.000 0.410 350 R N 0.599 121.089 120.500 -0.018 0.000 2.127 350 R HA -0.226 4.114 4.340 -0.000 0.000 0.238 350 R C 2.361 178.653 176.300 -0.015 0.000 1.134 350 R CA 1.512 57.603 56.100 -0.016 0.000 0.975 350 R CB -0.168 30.124 30.300 -0.013 0.000 0.865 350 R HN 0.446 nan 8.270 nan 0.000 0.447 351 Q N -0.232 119.560 119.800 -0.014 0.000 2.250 351 Q HA -0.113 4.226 4.340 -0.000 0.000 0.200 351 Q C 1.668 177.660 176.000 -0.013 0.000 0.941 351 Q CA 0.904 56.700 55.803 -0.012 0.000 0.872 351 Q CB 0.284 29.016 28.738 -0.010 0.000 0.965 351 Q HN 0.507 nan 8.270 nan 0.000 0.480 352 Q N 0.224 120.014 119.800 -0.016 0.000 2.226 352 Q HA -0.093 4.246 4.340 -0.000 0.000 0.204 352 Q C 1.987 177.976 176.000 -0.019 0.000 0.975 352 Q CA 1.003 56.795 55.803 -0.018 0.000 0.866 352 Q CB 0.015 28.739 28.738 -0.023 0.000 0.915 352 Q HN 0.453 nan 8.270 nan 0.000 0.440 353 I N 0.979 121.537 120.570 -0.021 0.000 2.567 353 I HA -0.237 3.933 4.170 -0.000 0.000 0.257 353 I C 1.858 177.967 176.117 -0.015 0.000 1.184 353 I CA 0.707 61.994 61.300 -0.021 0.000 1.451 353 I CB -0.202 37.784 38.000 -0.023 0.000 1.089 353 I HN 0.200 nan 8.210 nan 0.000 0.441 354 E N 1.177 121.370 120.200 -0.012 0.000 2.021 354 E HA -0.158 4.192 4.350 -0.000 0.000 0.189 354 E C 1.851 178.448 176.600 -0.006 0.000 0.980 354 E CA 1.048 57.443 56.400 -0.008 0.000 0.803 354 E CB -0.434 29.262 29.700 -0.007 0.000 0.766 354 E HN 0.540 nan 8.360 nan 0.000 0.449 355 E N 1.393 121.589 120.200 -0.007 0.000 2.463 355 E HA 0.015 4.365 4.350 -0.000 0.000 0.201 355 E C 0.414 177.013 176.600 -0.003 0.000 1.045 355 E CA 0.293 56.690 56.400 -0.005 0.000 0.872 355 E CB -0.124 29.572 29.700 -0.006 0.000 0.797 355 E HN 0.105 nan 8.360 nan 0.000 0.538 356 A N 1.852 124.669 122.820 -0.005 0.000 2.553 356 A HA -0.006 4.314 4.320 -0.000 0.000 0.258 356 A C 1.121 178.708 177.584 0.006 0.000 1.069 356 A CA 0.585 52.621 52.037 -0.003 0.000 0.767 356 A CB -0.220 18.775 19.000 -0.009 0.000 0.997 356 A HN 0.234 nan 8.150 nan 0.000 0.512 357 T N -0.321 114.240 114.554 0.012 0.000 3.223 357 T HA 0.466 4.816 4.350 -0.000 0.000 0.259 357 T C 0.220 174.937 174.700 0.028 0.000 1.015 357 T CA 0.274 62.384 62.100 0.017 0.000 0.908 357 T CB -0.382 68.495 68.868 0.015 0.000 1.054 357 T HN 0.986 nan 8.240 nan 0.000 0.567 358 S N -0.600 115.121 115.700 0.035 0.000 2.543 358 S HA 0.318 4.788 4.470 -0.000 0.000 0.273 358 S C -0.188 174.447 174.600 0.059 0.000 1.152 358 S CA -0.599 57.636 58.200 0.058 0.000 0.910 358 S CB 1.519 64.775 63.200 0.092 0.000 1.105 358 S HN 0.081 nan 8.310 nan 0.000 0.465 359 D N 1.996 122.437 120.400 0.069 0.000 2.097 359 D HA -0.102 4.538 4.640 -0.000 0.000 0.195 359 D C 1.425 177.769 176.300 0.074 0.000 0.989 359 D CA 1.655 55.691 54.000 0.060 0.000 0.827 359 D CB -0.286 40.553 40.800 0.064 0.000 0.966 359 D HN 0.707 nan 8.370 nan 0.000 0.456 360 Y N 2.159 122.461 120.300 0.004 0.000 2.053 360 Y HA -0.262 4.288 4.550 -0.000 0.000 0.277 360 Y C 1.715 177.615 175.900 0.000 0.000 1.159 360 Y CA 2.153 60.257 58.100 0.006 0.000 1.125 360 Y CB -0.468 37.997 38.460 0.010 0.000 0.969 360 Y HN -0.120 nan 8.280 nan 0.000 0.492 361 D N -0.493 119.908 120.400 0.000 0.000 2.149 361 D HA -0.180 4.460 4.640 -0.000 0.000 0.198 361 D C 2.272 178.500 176.300 -0.120 0.000 0.990 361 D CA 1.604 55.551 54.000 -0.088 0.000 0.839 361 D CB -0.275 40.540 40.800 0.025 0.000 0.948 361 D HN 0.322 nan 8.370 nan 0.000 0.460 362 R N 0.594 121.052 120.500 -0.070 0.000 2.066 362 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 362 R C 1.911 178.157 176.300 -0.089 0.000 1.131 362 R CA 1.212 57.277 56.100 -0.060 0.000 0.955 362 R CB 0.067 30.351 30.300 -0.027 0.000 0.851 362 R HN 0.248 nan 8.270 nan 0.000 0.432 363 E N 0.307 120.439 120.200 -0.113 0.000 2.038 363 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 363 E C 1.971 178.476 176.600 -0.159 0.000 1.000 363 E CA 1.015 57.344 56.400 -0.118 0.000 0.803 363 E CB -0.021 29.611 29.700 -0.113 0.000 0.750 363 E HN 0.146 nan 8.360 nan 0.000 0.448 364 K N 0.832 121.067 120.400 -0.274 0.000 2.113 364 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 364 K C 2.233 178.743 176.600 -0.150 0.000 1.047 364 K CA 0.934 57.066 56.287 -0.258 0.000 0.928 364 K CB -0.445 31.817 32.500 -0.396 0.000 0.716 364 K HN 0.217 nan 8.250 nan 0.000 0.446 365 L N 0.648 121.794 121.223 -0.128 0.000 2.027 365 L HA -0.192 4.148 4.340 -0.000 0.000 0.206 365 L C 2.607 179.440 176.870 -0.063 0.000 1.074 365 L CA 1.171 55.961 54.840 -0.083 0.000 0.745 365 L CB -0.376 41.642 42.059 -0.068 0.000 0.898 365 L HN 0.215 nan 8.230 nan 0.000 0.433 366 Q N -0.244 119.519 119.800 -0.061 0.000 2.135 366 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 366 Q C 2.122 178.099 176.000 -0.039 0.000 0.981 366 Q CA 1.568 57.345 55.803 -0.044 0.000 0.856 366 Q CB -0.049 28.665 28.738 -0.040 0.000 0.902 366 Q HN 0.452 nan 8.270 nan 0.000 0.425 367 E N 0.205 120.375 120.200 -0.050 0.000 2.058 367 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 367 E C 2.071 178.656 176.600 -0.026 0.000 0.997 367 E CA 0.976 57.353 56.400 -0.038 0.000 0.801 367 E CB 0.047 29.717 29.700 -0.049 0.000 0.746 367 E HN 0.272 nan 8.360 nan 0.000 0.450 368 R N 0.165 120.644 120.500 -0.035 0.000 2.075 368 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 368 R C 2.657 178.946 176.300 -0.018 0.000 1.126 368 R CA 1.525 57.610 56.100 -0.026 0.000 0.963 368 R CB -0.526 29.751 30.300 -0.038 0.000 0.858 368 R HN 0.212 nan 8.270 nan 0.000 0.435 369 V N -1.344 118.557 119.914 -0.021 0.000 2.407 369 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 369 V C 2.387 178.475 176.094 -0.010 0.000 1.055 369 V CA 1.720 64.011 62.300 -0.016 0.000 1.049 369 V CB -1.127 30.685 31.823 -0.017 0.000 0.662 369 V HN 0.234 nan 8.190 nan 0.000 0.455 370 A N 0.608 123.421 122.820 -0.012 0.000 1.908 370 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 370 A C 2.361 179.944 177.584 -0.002 0.000 1.181 370 A CA 2.407 54.440 52.037 -0.008 0.000 0.627 370 A CB -0.598 18.396 19.000 -0.009 0.000 0.818 370 A HN 0.634 nan 8.150 nan 0.000 0.445 371 K N -1.228 119.173 120.400 0.003 0.000 2.025 371 K HA -0.047 4.273 4.320 -0.000 0.000 0.207 371 K C 1.893 178.501 176.600 0.014 0.000 1.049 371 K CA 1.176 57.471 56.287 0.015 0.000 0.933 371 K CB -0.315 32.203 32.500 0.030 0.000 0.714 371 K HN 0.311 nan 8.250 nan 0.000 0.438 372 L N 0.861 122.090 121.223 0.009 0.000 2.005 372 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 372 L C 2.298 179.170 176.870 0.003 0.000 1.072 372 L CA 1.820 56.665 54.840 0.008 0.000 0.744 372 L CB -0.891 41.170 42.059 0.002 0.000 0.895 372 L HN 0.134 nan 8.230 nan 0.000 0.433 373 A N -1.139 121.681 122.820 -0.001 0.000 1.968 373 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 373 A C 2.326 179.908 177.584 -0.003 0.000 1.169 373 A CA 1.309 53.344 52.037 -0.003 0.000 0.638 373 A CB -1.217 17.780 19.000 -0.005 0.000 0.812 373 A HN 0.463 nan 8.150 nan 0.000 0.446 374 G N -0.913 107.886 108.800 -0.002 0.000 2.418 374 G HA2 0.318 4.278 3.960 -0.000 0.000 0.217 374 G HA3 0.318 4.278 3.960 -0.000 0.000 0.217 374 G C 1.245 176.142 174.900 -0.005 0.000 1.158 374 G CA 0.992 46.089 45.100 -0.004 0.000 0.771 374 G HN 1.719 nan 8.290 nan 0.000 0.545 375 G N -1.821 106.977 108.800 -0.002 0.000 2.527 375 G HA2 0.062 4.021 3.960 -0.000 0.000 0.227 375 G HA3 0.062 4.021 3.960 -0.000 0.000 0.227 375 G C -0.724 174.171 174.900 -0.009 0.000 1.291 375 G CA -0.186 44.912 45.100 -0.004 0.000 0.904 375 G HN 1.179 nan 8.290 nan 0.000 0.577 376 V N 0.212 120.119 119.914 -0.012 0.000 2.711 376 V HA 0.696 4.816 4.120 -0.000 0.000 0.304 376 V C 0.556 176.639 176.094 -0.018 0.000 1.097 376 V CA -0.062 62.227 62.300 -0.018 0.000 0.906 376 V CB 1.260 33.070 31.823 -0.022 0.000 1.015 376 V HN 2.234 nan 8.190 nan 0.000 0.427 377 A N 4.344 127.152 122.820 -0.020 0.000 2.363 377 A HA 0.778 5.098 4.320 -0.000 0.000 0.270 377 A C -0.471 177.101 177.584 -0.020 0.000 1.121 377 A CA -0.301 51.725 52.037 -0.018 0.000 0.800 377 A CB 0.842 19.831 19.000 -0.018 0.000 1.052 377 A HN 0.870 nan 8.150 nan 0.000 0.493 378 V N 4.647 124.551 119.914 -0.017 0.000 2.409 378 V HA 0.294 4.413 4.120 -0.000 0.000 0.290 378 V C -0.338 175.747 176.094 -0.014 0.000 1.017 378 V CA -0.109 62.181 62.300 -0.017 0.000 0.841 378 V CB 1.162 32.975 31.823 -0.017 0.000 1.003 378 V HN 0.750 nan 8.190 nan 0.000 0.426 379 I N 4.966 125.528 120.570 -0.013 0.000 2.315 379 I HA 0.404 4.574 4.170 -0.000 0.000 0.291 379 I C 0.203 176.314 176.117 -0.009 0.000 1.006 379 I CA -0.393 60.900 61.300 -0.010 0.000 1.265 379 I CB 1.129 39.124 38.000 -0.009 0.000 1.387 379 I HN 0.463 nan 8.210 nan 0.000 0.475 380 K N 5.997 126.392 120.400 -0.008 0.000 2.293 380 K HA 0.448 4.767 4.320 -0.000 0.000 0.267 380 K C -0.917 175.680 176.600 -0.005 0.000 1.010 380 K CA -0.663 55.620 56.287 -0.007 0.000 0.875 380 K CB 2.147 34.642 32.500 -0.007 0.000 1.106 380 K HN 0.325 nan 8.250 nan 0.000 0.450 381 V N 3.066 122.977 119.914 -0.004 0.000 2.389 381 V HA 0.196 4.316 4.120 -0.000 0.000 0.264 381 V C 0.851 176.943 176.094 -0.003 0.000 1.049 381 V CA -0.651 61.647 62.300 -0.003 0.000 0.932 381 V CB 0.728 32.550 31.823 -0.002 0.000 1.011 381 V HN 0.888 nan 8.190 nan 0.000 0.475 382 G N 2.985 111.783 108.800 -0.003 0.000 2.504 382 G HA2 0.608 4.568 3.960 -0.000 0.000 0.288 382 G HA3 0.608 4.568 3.960 -0.000 0.000 0.288 382 G C 0.409 175.307 174.900 -0.003 0.000 1.182 382 G CA 0.224 45.322 45.100 -0.003 0.000 0.894 382 G HN 1.090 nan 8.290 nan 0.000 0.521 383 A N -1.164 121.654 122.820 -0.003 0.000 2.461 383 A HA 0.677 4.997 4.320 -0.000 0.000 0.149 383 A C 0.889 178.472 177.584 -0.002 0.000 1.814 383 A CA 1.167 53.203 52.037 -0.002 0.000 1.337 383 A CB -0.592 18.407 19.000 -0.002 0.000 1.556 383 A HN 2.695 nan 8.150 nan 0.000 0.392 384 A N 0.154 122.972 122.820 -0.002 0.000 2.009 384 A HA 0.509 4.829 4.320 -0.000 0.000 0.247 384 A C 0.892 178.474 177.584 -0.002 0.000 1.355 384 A CA 1.264 53.300 52.037 -0.002 0.000 0.696 384 A CB -2.463 16.536 19.000 -0.002 0.000 1.175 384 A HN 3.209 nan 8.150 nan 0.000 0.279 385 T N -1.321 113.231 114.554 -0.002 0.000 0.734 385 T HA -0.025 4.325 4.350 -0.000 0.000 0.757 385 T C 0.238 174.937 174.700 -0.002 0.000 0.988 385 T CA 1.216 63.315 62.100 -0.002 0.000 3.992 385 T CB -1.312 67.555 68.868 -0.002 0.000 2.261 385 T HN 1.947 nan 8.240 nan 0.000 0.400 386 E N 1.483 121.682 120.200 -0.002 0.000 2.147 386 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 386 E C 1.975 178.574 176.600 -0.001 0.000 1.005 386 E CA 2.398 58.797 56.400 -0.002 0.000 0.810 386 E CB -0.127 29.572 29.700 -0.002 0.000 0.736 386 E HN 0.688 nan 8.360 nan 0.000 0.460 387 V N 1.153 121.066 119.914 -0.001 0.000 2.237 387 V HA -0.280 3.840 4.120 -0.000 0.000 0.245 387 V C 2.143 178.236 176.094 -0.001 0.000 1.046 387 V CA 2.374 64.674 62.300 -0.001 0.000 1.007 387 V CB -0.703 31.119 31.823 -0.001 0.000 0.638 387 V HN 0.315 nan 8.190 nan 0.000 0.445 388 E N -0.299 119.900 120.200 -0.001 0.000 2.118 388 E HA -0.272 4.078 4.350 -0.000 0.000 0.195 388 E C 2.179 178.779 176.600 -0.001 0.000 0.992 388 E CA 1.548 57.947 56.400 -0.002 0.000 0.804 388 E CB -0.282 29.417 29.700 -0.002 0.000 0.741 388 E HN 0.442 nan 8.360 nan 0.000 0.458 389 M N 1.226 120.825 119.600 -0.001 0.000 2.067 389 M HA -0.167 4.313 4.480 -0.000 0.000 0.260 389 M C 1.756 178.056 176.300 -0.001 0.000 1.069 389 M CA 1.645 56.944 55.300 -0.001 0.000 1.117 389 M CB -0.217 32.382 32.600 -0.002 0.000 1.334 389 M HN -0.124 nan 8.290 nan 0.000 0.407 390 K N 0.291 120.690 120.400 -0.000 0.000 2.097 390 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 390 K C 1.958 178.558 176.600 0.001 0.000 1.049 390 K CA 1.117 57.404 56.287 0.001 0.000 0.933 390 K CB -0.637 31.863 32.500 0.001 0.000 0.717 390 K HN 0.472 nan 8.250 nan 0.000 0.442 391 E N 1.597 121.797 120.200 0.000 0.000 2.028 391 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 391 E C 1.989 178.590 176.600 0.000 0.000 0.988 391 E CA 1.283 57.683 56.400 -0.000 0.000 0.799 391 E CB 0.029 29.729 29.700 -0.001 0.000 0.755 391 E HN 0.186 nan 8.360 nan 0.000 0.447 392 K N 0.921 121.321 120.400 0.000 0.000 2.097 392 K HA -0.180 4.139 4.320 -0.000 0.000 0.206 392 K C 2.345 178.946 176.600 0.002 0.000 1.049 392 K CA 1.534 57.821 56.287 0.000 0.000 0.933 392 K CB -0.140 32.360 32.500 -0.000 0.000 0.717 392 K HN -0.052 nan 8.250 nan 0.000 0.442 393 K N 0.211 120.612 120.400 0.002 0.000 2.103 393 K HA -0.179 4.140 4.320 -0.000 0.000 0.207 393 K C 1.907 178.510 176.600 0.006 0.000 1.048 393 K CA 1.368 57.657 56.287 0.003 0.000 0.930 393 K CB -0.175 32.326 32.500 0.002 0.000 0.716 393 K HN 0.227 nan 8.250 nan 0.000 0.444 394 A N 1.484 124.307 122.820 0.006 0.000 1.855 394 A HA -0.136 4.184 4.320 -0.000 0.000 0.215 394 A C 2.104 179.693 177.584 0.009 0.000 1.191 394 A CA 1.387 53.429 52.037 0.007 0.000 0.613 394 A CB -0.509 18.494 19.000 0.004 0.000 0.829 394 A HN 0.332 nan 8.150 nan 0.000 0.442 395 R N -0.637 119.867 120.500 0.006 0.000 2.127 395 R HA -0.107 4.232 4.340 -0.000 0.000 0.238 395 R C 2.005 178.311 176.300 0.010 0.000 1.134 395 R CA 1.448 57.551 56.100 0.006 0.000 0.975 395 R CB -0.521 29.780 30.300 0.002 0.000 0.865 395 R HN 0.424 nan 8.270 nan 0.000 0.447 396 V N 0.867 120.787 119.914 0.009 0.000 2.307 396 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 396 V C 1.980 178.085 176.094 0.019 0.000 1.045 396 V CA 1.743 64.049 62.300 0.011 0.000 1.024 396 V CB -0.388 31.438 31.823 0.006 0.000 0.651 396 V HN 0.330 nan 8.190 nan 0.000 0.449 397 E N -0.255 119.958 120.200 0.022 0.000 2.085 397 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 397 E C 2.034 178.672 176.600 0.063 0.000 0.994 397 E CA 1.547 57.969 56.400 0.037 0.000 0.801 397 E CB -0.141 29.580 29.700 0.035 0.000 0.743 397 E HN 0.579 nan 8.360 nan 0.000 0.453 398 D N -0.098 120.330 120.400 0.046 0.000 2.077 398 D HA -0.108 4.532 4.640 -0.000 0.000 0.196 398 D C 1.962 178.297 176.300 0.059 0.000 0.986 398 D CA 1.282 55.310 54.000 0.047 0.000 0.829 398 D CB -0.138 40.672 40.800 0.017 0.000 0.983 398 D HN 0.132 nan 8.370 nan 0.000 0.453 399 A N 0.900 123.742 122.820 0.037 0.000 1.978 399 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 399 A C 2.153 179.763 177.584 0.042 0.000 1.170 399 A CA 1.008 53.065 52.037 0.032 0.000 0.636 399 A CB -0.613 18.398 19.000 0.018 0.000 0.810 399 A HN 0.259 nan 8.150 nan 0.000 0.448 400 L N -1.060 120.190 121.223 0.044 0.000 2.005 400 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 400 L C 2.361 179.260 176.870 0.049 0.000 1.072 400 L CA 2.453 57.311 54.840 0.029 0.000 0.744 400 L CB -0.855 41.211 42.059 0.011 0.000 0.895 400 L HN 0.559 nan 8.230 nan 0.000 0.433 401 H N -0.408 118.659 119.070 -0.004 0.000 2.387 401 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 401 H C 2.000 177.328 175.328 0.000 0.000 1.090 401 H CA 1.436 57.482 56.048 -0.003 0.000 1.332 401 H CB 0.077 29.837 29.762 -0.004 0.000 1.386 401 H HN 0.484 nan 8.280 nan 0.000 0.516 402 A N -0.259 122.656 122.820 0.158 0.000 1.855 402 A HA -0.142 4.177 4.320 -0.000 0.000 0.215 402 A C 2.678 180.302 177.584 0.066 0.000 1.191 402 A CA 2.116 54.207 52.037 0.090 0.000 0.613 402 A CB -1.027 18.002 19.000 0.049 0.000 0.829 402 A HN 0.458 nan 8.150 nan 0.000 0.442 403 T N -0.410 114.173 114.554 0.047 0.000 2.759 403 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 403 T C 2.143 176.857 174.700 0.022 0.000 1.042 403 T CA 1.354 63.471 62.100 0.027 0.000 1.140 403 T CB -0.271 68.606 68.868 0.016 0.000 0.864 403 T HN 0.272 nan 8.240 nan 0.000 0.455 404 R N 1.186 121.698 120.500 0.019 0.000 2.083 404 R HA 0.010 4.350 4.340 -0.000 0.000 0.237 404 R C 2.640 178.952 176.300 0.020 0.000 1.137 404 R CA 1.821 57.920 56.100 -0.003 0.000 0.951 404 R CB -1.080 29.186 30.300 -0.055 0.000 0.851 404 R HN 0.456 nan 8.270 nan 0.000 0.434 405 A N 0.252 123.105 122.820 0.054 0.000 1.930 405 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 405 A C 2.346 179.953 177.584 0.038 0.000 1.175 405 A CA 1.732 53.804 52.037 0.059 0.000 0.627 405 A CB -0.567 18.486 19.000 0.088 0.000 0.815 405 A HN 0.402 nan 8.150 nan 0.000 0.443 406 A N -0.519 122.321 122.820 0.034 0.000 1.877 406 A HA -0.035 4.284 4.320 -0.000 0.000 0.216 406 A C 2.174 179.768 177.584 0.018 0.000 1.186 406 A CA 1.761 53.813 52.037 0.024 0.000 0.620 406 A CB -1.018 17.994 19.000 0.021 0.000 0.822 406 A HN 0.408 nan 8.150 nan 0.000 0.443 407 V N 0.110 120.033 119.914 0.015 0.000 2.568 407 V HA -0.265 3.855 4.120 -0.000 0.000 0.253 407 V C 2.374 178.475 176.094 0.011 0.000 1.072 407 V CA 2.321 64.627 62.300 0.010 0.000 1.084 407 V CB -0.729 31.097 31.823 0.005 0.000 0.676 407 V HN 0.640 nan 8.190 nan 0.000 0.469 408 E N -0.284 119.925 120.200 0.014 0.000 2.042 408 E HA -0.095 4.255 4.350 -0.000 0.000 0.189 408 E C 1.576 178.186 176.600 0.016 0.000 0.974 408 E CA 1.076 57.485 56.400 0.015 0.000 0.806 408 E CB 0.044 29.756 29.700 0.019 0.000 0.769 408 E HN 0.635 nan 8.360 nan 0.000 0.451 409 E N -0.256 119.955 120.200 0.019 0.000 2.660 409 E HA 0.235 4.585 4.350 -0.000 0.000 0.216 409 E C 0.172 176.782 176.600 0.016 0.000 0.986 409 E CA 0.042 56.453 56.400 0.017 0.000 1.037 409 E CB 1.500 31.211 29.700 0.019 0.000 1.041 409 E HN 0.260 nan 8.360 nan 0.000 0.480 410 G N 1.209 110.019 108.800 0.016 0.000 2.693 410 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.226 410 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.226 410 G C -0.205 174.705 174.900 0.017 0.000 1.354 410 G CA -0.404 44.705 45.100 0.015 0.000 0.873 410 G HN 0.500 nan 8.290 nan 0.000 0.562 411 V N -2.745 117.179 119.914 0.015 0.000 3.040 411 V HA 0.979 5.099 4.120 -0.000 0.000 0.312 411 V C 0.558 176.661 176.094 0.016 0.000 1.115 411 V CA 0.084 62.393 62.300 0.015 0.000 0.998 411 V CB 1.327 33.158 31.823 0.013 0.000 1.042 411 V HN 2.442 nan 8.190 nan 0.000 0.433 412 V N -0.724 119.199 119.914 0.015 0.000 3.160 412 V HA 1.017 5.136 4.120 -0.000 0.000 0.310 412 V C 0.492 176.594 176.094 0.014 0.000 1.181 412 V CA -0.708 61.602 62.300 0.017 0.000 1.047 412 V CB 1.226 33.059 31.823 0.018 0.000 1.068 412 V HN 2.082 nan 8.190 nan 0.000 0.441 413 A N 0.690 123.520 122.820 0.016 0.000 2.540 413 A HA 0.629 4.949 4.320 -0.000 0.000 0.239 413 A C 0.847 178.432 177.584 0.002 0.000 1.061 413 A CA 0.746 52.788 52.037 0.009 0.000 0.758 413 A CB -0.478 18.530 19.000 0.014 0.000 0.991 413 A HN 1.971 nan 8.150 nan 0.000 0.502 414 G N 0.254 109.049 108.800 -0.008 0.000 2.641 414 G HA2 0.532 4.492 3.960 -0.000 0.000 0.239 414 G HA3 0.532 4.492 3.960 -0.000 0.000 0.239 414 G C 1.085 175.977 174.900 -0.015 0.000 1.402 414 G CA -0.085 45.009 45.100 -0.010 0.000 1.046 414 G HN 2.231 nan 8.290 nan 0.000 0.565 415 G N -1.750 107.040 108.800 -0.017 0.000 2.258 415 G HA2 0.206 4.166 3.960 -0.000 0.000 0.274 415 G HA3 0.206 4.166 3.960 -0.000 0.000 0.274 415 G C 1.516 176.418 174.900 0.003 0.000 1.021 415 G CA 1.324 46.416 45.100 -0.014 0.000 0.798 415 G HN 2.447 nan 8.290 nan 0.000 0.507 416 G N -2.539 106.264 108.800 0.005 0.000 2.189 416 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.267 416 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.267 416 G C 1.844 176.752 174.900 0.014 0.000 0.975 416 G CA 1.906 47.012 45.100 0.011 0.000 0.644 416 G HN 2.220 nan 8.290 nan 0.000 0.537 417 V N -1.536 118.385 119.914 0.011 0.000 2.719 417 V HA 0.434 4.554 4.120 -0.000 0.000 0.252 417 V C 2.746 178.855 176.094 0.025 0.000 1.065 417 V CA 1.929 64.240 62.300 0.018 0.000 1.086 417 V CB -0.485 31.342 31.823 0.006 0.000 0.700 417 V HN 1.378 nan 8.190 nan 0.000 0.467 418 A N 0.754 123.587 122.820 0.021 0.000 1.883 418 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 418 A C 2.238 179.836 177.584 0.025 0.000 1.186 418 A CA 2.305 54.357 52.037 0.025 0.000 0.624 418 A CB -0.751 18.261 19.000 0.020 0.000 0.822 418 A HN 0.600 nan 8.150 nan 0.000 0.444 419 L N -1.078 120.157 121.223 0.021 0.000 2.083 419 L HA -0.125 4.214 4.340 -0.000 0.000 0.209 419 L C 2.513 179.396 176.870 0.022 0.000 1.083 419 L CA 1.333 56.184 54.840 0.019 0.000 0.752 419 L CB -0.293 41.776 42.059 0.017 0.000 0.899 419 L HN 0.473 nan 8.230 nan 0.000 0.433 420 I N -0.572 120.013 120.570 0.025 0.000 2.439 420 I HA -0.263 3.907 4.170 -0.000 0.000 0.251 420 I C 2.761 178.900 176.117 0.037 0.000 1.139 420 I CA 0.676 61.994 61.300 0.029 0.000 1.438 420 I CB 0.045 38.063 38.000 0.030 0.000 1.085 420 I HN 0.192 nan 8.210 nan 0.000 0.427 421 R N 0.562 121.088 120.500 0.043 0.000 2.070 421 R HA -0.143 4.197 4.340 -0.000 0.000 0.233 421 R C 2.035 178.358 176.300 0.039 0.000 1.137 421 R CA 2.243 58.374 56.100 0.051 0.000 0.945 421 R CB -1.188 29.146 30.300 0.057 0.000 0.845 421 R HN 0.207 nan 8.270 nan 0.000 0.430 422 V N 1.005 120.938 119.914 0.031 0.000 2.392 422 V HA -0.241 3.878 4.120 -0.000 0.000 0.249 422 V C 2.330 178.437 176.094 0.021 0.000 1.059 422 V CA 2.057 64.372 62.300 0.024 0.000 1.051 422 V CB -0.868 30.967 31.823 0.019 0.000 0.658 422 V HN 0.602 nan 8.190 nan 0.000 0.455 423 A N 0.268 123.101 122.820 0.021 0.000 1.898 423 A HA -0.188 4.131 4.320 -0.000 0.000 0.216 423 A C 2.527 180.122 177.584 0.020 0.000 1.181 423 A CA 2.053 54.100 52.037 0.018 0.000 0.620 423 A CB -0.754 18.256 19.000 0.017 0.000 0.819 423 A HN 0.705 nan 8.150 nan 0.000 0.442 424 S N -0.117 115.598 115.700 0.025 0.000 2.419 424 S HA -0.145 4.325 4.470 -0.000 0.000 0.233 424 S C 1.645 176.258 174.600 0.022 0.000 1.016 424 S CA 1.534 59.749 58.200 0.026 0.000 0.974 424 S CB -0.346 62.875 63.200 0.036 0.000 0.786 424 S HN 0.596 nan 8.310 nan 0.000 0.492 425 K N 0.465 120.878 120.400 0.022 0.000 2.418 425 K HA 0.273 4.593 4.320 -0.000 0.000 0.195 425 K C 0.721 177.329 176.600 0.013 0.000 1.035 425 K CA 0.398 56.696 56.287 0.018 0.000 1.003 425 K CB -0.117 32.394 32.500 0.019 0.000 0.793 425 K HN 0.430 nan 8.250 nan 0.000 0.494 426 L N -0.014 121.217 121.223 0.013 0.000 2.872 426 L HA 0.236 4.576 4.340 -0.000 0.000 0.245 426 L C 1.640 178.515 176.870 0.009 0.000 1.211 426 L CA -0.319 54.527 54.840 0.010 0.000 1.013 426 L CB 0.263 42.327 42.059 0.009 0.000 1.326 426 L HN 0.038 nan 8.230 nan 0.000 0.525 427 A N 0.253 123.079 122.820 0.009 0.000 1.908 427 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 427 A C 1.720 179.308 177.584 0.006 0.000 1.181 427 A CA 1.873 53.914 52.037 0.008 0.000 0.627 427 A CB -0.197 18.808 19.000 0.008 0.000 0.818 427 A HN 0.393 nan 8.150 nan 0.000 0.445 428 D N -0.897 119.507 120.400 0.006 0.000 2.349 428 D HA 0.093 4.733 4.640 -0.000 0.000 0.224 428 D C 0.407 176.709 176.300 0.004 0.000 1.029 428 D CA -0.134 53.869 54.000 0.004 0.000 0.879 428 D CB -0.233 40.570 40.800 0.004 0.000 0.906 428 D HN 0.349 nan 8.370 nan 0.000 0.528 429 L N 2.106 123.332 121.223 0.005 0.000 2.559 429 L HA 0.031 4.371 4.340 -0.000 0.000 0.274 429 L C 0.179 177.051 176.870 0.003 0.000 1.205 429 L CA 0.586 55.429 54.840 0.004 0.000 0.907 429 L CB 0.090 42.151 42.059 0.004 0.000 1.153 429 L HN -0.199 nan 8.230 nan 0.000 0.490 430 R N 3.323 123.825 120.500 0.003 0.000 2.888 430 R HA 0.721 5.061 4.340 -0.000 0.000 0.264 430 R C -0.171 176.131 176.300 0.002 0.000 1.045 430 R CA -0.339 55.763 56.100 0.003 0.000 0.962 430 R CB 1.456 31.758 30.300 0.002 0.000 1.210 430 R HN 0.803 nan 8.270 nan 0.000 0.479 431 G N -0.398 108.403 108.800 0.002 0.000 3.119 431 G HA2 0.203 4.162 3.960 -0.000 0.000 0.206 431 G HA3 0.203 4.162 3.960 -0.000 0.000 0.206 431 G C -0.047 174.854 174.900 0.002 0.000 1.313 431 G CA -0.253 44.848 45.100 0.002 0.000 1.010 431 G HN 0.410 nan 8.290 nan 0.000 0.578 432 Q N -0.388 119.413 119.800 0.002 0.000 2.425 432 Q HA 0.158 4.498 4.340 -0.000 0.000 0.204 432 Q C -0.226 175.775 176.000 0.002 0.000 0.933 432 Q CA 0.460 56.264 55.803 0.002 0.000 0.939 432 Q CB 0.146 28.885 28.738 0.002 0.000 1.044 432 Q HN 0.603 nan 8.270 nan 0.000 0.513 433 N N -2.591 116.110 118.700 0.002 0.000 3.046 433 N HA 0.005 4.745 4.740 -0.000 0.000 0.243 433 N C -0.211 175.300 175.510 0.002 0.000 1.452 433 N CA -0.533 52.519 53.050 0.002 0.000 0.882 433 N CB 0.427 38.915 38.487 0.002 0.000 1.425 433 N HN -0.303 nan 8.380 nan 0.000 0.517 434 E N -0.256 119.945 120.200 0.002 0.000 2.160 434 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 434 E C 0.416 177.017 176.600 0.003 0.000 0.991 434 E CA 1.568 57.970 56.400 0.002 0.000 0.810 434 E CB -0.272 29.430 29.700 0.002 0.000 0.742 434 E HN 0.591 nan 8.360 nan 0.000 0.466 435 D N -0.016 120.386 120.400 0.003 0.000 2.117 435 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 435 D C 1.867 178.169 176.300 0.004 0.000 0.987 435 D CA 1.007 55.009 54.000 0.003 0.000 0.829 435 D CB -0.190 40.612 40.800 0.004 0.000 0.961 435 D HN 0.381 nan 8.370 nan 0.000 0.460 436 Q N 0.150 119.952 119.800 0.003 0.000 2.167 436 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 436 Q C 1.719 177.721 176.000 0.003 0.000 0.970 436 Q CA 0.616 56.421 55.803 0.003 0.000 0.855 436 Q CB -0.051 28.689 28.738 0.003 0.000 0.911 436 Q HN 0.250 nan 8.270 nan 0.000 0.438 437 N N 0.281 118.982 118.700 0.003 0.000 2.188 437 N HA -0.107 4.633 4.740 -0.000 0.000 0.184 437 N C 1.845 177.357 175.510 0.004 0.000 1.018 437 N CA 0.865 53.917 53.050 0.003 0.000 0.858 437 N CB -0.176 38.313 38.487 0.003 0.000 0.989 437 N HN 0.045 nan 8.380 nan 0.000 0.426 438 V N 0.732 120.648 119.914 0.004 0.000 2.358 438 V HA -0.105 4.015 4.120 -0.000 0.000 0.246 438 V C 2.419 178.516 176.094 0.005 0.000 1.047 438 V CA 1.923 64.225 62.300 0.004 0.000 1.035 438 V CB -1.153 30.672 31.823 0.004 0.000 0.658 438 V HN 0.318 nan 8.190 nan 0.000 0.452 439 G N 0.006 108.809 108.800 0.005 0.000 2.440 439 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 439 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 439 G C 1.567 176.469 174.900 0.005 0.000 1.154 439 G CA 1.139 46.242 45.100 0.005 0.000 0.767 439 G HN 0.476 nan 8.290 nan 0.000 0.552 440 I N 0.288 120.860 120.570 0.004 0.000 2.179 440 I HA -0.155 4.015 4.170 -0.000 0.000 0.242 440 I C 2.722 178.842 176.117 0.005 0.000 1.088 440 I CA 1.123 62.426 61.300 0.004 0.000 1.357 440 I CB -0.168 37.834 38.000 0.004 0.000 1.051 440 I HN 0.045 nan 8.210 nan 0.000 0.409 441 K N 0.559 120.962 120.400 0.005 0.000 2.097 441 K HA -0.078 4.241 4.320 -0.000 0.000 0.206 441 K C 2.124 178.728 176.600 0.006 0.000 1.049 441 K CA 0.935 57.225 56.287 0.006 0.000 0.933 441 K CB -0.649 31.854 32.500 0.005 0.000 0.717 441 K HN 0.216 nan 8.250 nan 0.000 0.442 442 V N 1.682 121.599 119.914 0.006 0.000 2.332 442 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 442 V C 2.475 178.574 176.094 0.007 0.000 1.055 442 V CA 2.063 64.367 62.300 0.007 0.000 1.038 442 V CB -0.745 31.082 31.823 0.007 0.000 0.651 442 V HN 0.303 nan 8.190 nan 0.000 0.450 443 A N -0.417 122.407 122.820 0.007 0.000 1.873 443 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 443 A C 2.192 179.781 177.584 0.008 0.000 1.186 443 A CA 1.652 53.694 52.037 0.008 0.000 0.616 443 A CB -0.515 18.489 19.000 0.006 0.000 0.823 443 A HN 0.494 nan 8.150 nan 0.000 0.442 444 L N -1.270 119.958 121.223 0.008 0.000 2.083 444 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 444 L C 2.884 179.760 176.870 0.010 0.000 1.083 444 L CA 1.509 56.355 54.840 0.009 0.000 0.752 444 L CB -0.512 41.553 42.059 0.009 0.000 0.899 444 L HN 0.376 nan 8.230 nan 0.000 0.433 445 R N -0.137 120.368 120.500 0.008 0.000 2.075 445 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 445 R C 2.451 178.756 176.300 0.008 0.000 1.126 445 R CA 1.301 57.406 56.100 0.008 0.000 0.963 445 R CB -0.378 29.926 30.300 0.007 0.000 0.858 445 R HN 0.340 nan 8.270 nan 0.000 0.435 446 A N 0.759 123.584 122.820 0.009 0.000 1.978 446 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 446 A C 2.028 179.618 177.584 0.011 0.000 1.170 446 A CA 1.362 53.405 52.037 0.010 0.000 0.636 446 A CB -0.435 18.571 19.000 0.011 0.000 0.810 446 A HN 0.253 nan 8.150 nan 0.000 0.448 447 M N -0.696 118.911 119.600 0.011 0.000 2.629 447 M HA -0.118 4.362 4.480 -0.000 0.000 0.257 447 M C 1.315 177.622 176.300 0.013 0.000 1.071 447 M CA 1.038 56.345 55.300 0.013 0.000 1.077 447 M CB -0.188 32.419 32.600 0.013 0.000 1.423 447 M HN 0.472 nan 8.290 nan 0.000 0.508 448 E N -0.230 119.976 120.200 0.011 0.000 2.452 448 E HA 0.078 4.428 4.350 -0.000 0.000 0.197 448 E C 1.991 178.595 176.600 0.007 0.000 1.022 448 E CA 0.267 56.673 56.400 0.010 0.000 0.890 448 E CB 0.170 29.874 29.700 0.008 0.000 0.918 448 E HN 0.468 nan 8.360 nan 0.000 0.496 449 A N 2.502 125.327 122.820 0.007 0.000 1.859 449 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 449 A C -0.357 177.231 177.584 0.006 0.000 1.198 449 A CA 1.460 53.500 52.037 0.006 0.000 0.629 449 A CB -1.569 17.436 19.000 0.008 0.000 0.830 449 A HN 0.116 nan 8.150 nan 0.000 0.446 450 P HA -0.206 nan 4.420 nan 0.000 0.214 450 P C 1.875 179.180 177.300 0.008 0.000 1.169 450 P CA 1.298 64.403 63.100 0.008 0.000 0.908 450 P CB -0.171 31.535 31.700 0.010 0.000 0.791 451 L N -0.920 120.309 121.223 0.009 0.000 1.989 451 L HA -0.239 4.101 4.340 -0.000 0.000 0.211 451 L C 2.549 179.420 176.870 0.002 0.000 1.071 451 L CA 1.823 56.669 54.840 0.011 0.000 0.749 451 L CB -0.365 41.700 42.059 0.011 0.000 0.890 451 L HN -0.176 nan 8.230 nan 0.000 0.431 452 R N -0.762 119.735 120.500 -0.006 0.000 2.103 452 R HA -0.272 4.068 4.340 -0.000 0.000 0.242 452 R C 2.328 178.623 176.300 -0.008 0.000 1.142 452 R CA 1.994 58.086 56.100 -0.014 0.000 0.960 452 R CB -0.408 29.885 30.300 -0.011 0.000 0.858 452 R HN 0.404 nan 8.270 nan 0.000 0.439 453 Q N 0.954 120.753 119.800 -0.001 0.000 2.050 453 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 453 Q C 1.854 177.858 176.000 0.006 0.000 0.980 453 Q CA 1.645 57.449 55.803 0.002 0.000 0.840 453 Q CB -0.192 28.548 28.738 0.003 0.000 0.898 453 Q HN 0.361 nan 8.270 nan 0.000 0.424 454 I N -0.706 119.871 120.570 0.012 0.000 2.127 454 I HA -0.300 3.870 4.170 -0.000 0.000 0.241 454 I C 2.092 178.231 176.117 0.036 0.000 1.075 454 I CA 1.198 62.512 61.300 0.023 0.000 1.334 454 I CB -0.462 37.556 38.000 0.030 0.000 1.040 454 I HN 0.070 nan 8.210 nan 0.000 0.405 455 V N 0.675 120.607 119.914 0.031 0.000 2.392 455 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 455 V C 2.391 178.489 176.094 0.006 0.000 1.059 455 V CA 1.658 63.968 62.300 0.017 0.000 1.051 455 V CB -0.558 31.215 31.823 -0.083 0.000 0.658 455 V HN 0.351 nan 8.190 nan 0.000 0.455 456 L N 0.836 122.058 121.223 -0.002 0.000 2.017 456 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 456 L C 2.220 179.094 176.870 0.006 0.000 1.073 456 L CA 1.962 56.801 54.840 -0.002 0.000 0.745 456 L CB -0.900 41.157 42.059 -0.003 0.000 0.894 456 L HN 0.318 nan 8.230 nan 0.000 0.432 457 N N -1.105 117.601 118.700 0.010 0.000 2.289 457 N HA -0.171 4.569 4.740 -0.000 0.000 0.184 457 N C 1.694 177.213 175.510 0.015 0.000 1.016 457 N CA 1.571 54.627 53.050 0.010 0.000 0.872 457 N CB -0.721 37.771 38.487 0.008 0.000 0.973 457 N HN 0.429 nan 8.380 nan 0.000 0.433 458 C N -0.533 118.783 119.300 0.027 0.000 2.562 458 C HA 0.265 4.724 4.460 -0.000 0.000 0.266 458 C C 1.617 176.627 174.990 0.033 0.000 1.382 458 C CA 0.268 59.308 59.018 0.038 0.000 1.742 458 C CB -1.124 26.663 27.740 0.078 0.000 1.812 458 C HN 0.616 nan 8.230 nan 0.000 0.559 459 G N 1.230 110.042 108.800 0.021 0.000 2.160 459 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.244 459 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.244 459 G C -0.300 174.609 174.900 0.015 0.000 1.022 459 G CA 0.141 45.251 45.100 0.015 0.000 0.741 459 G HN 0.511 nan 8.290 nan 0.000 0.508 460 E N -0.022 120.184 120.200 0.009 0.000 2.264 460 E HA 0.445 4.795 4.350 -0.000 0.000 0.260 460 E C 0.085 176.664 176.600 -0.034 0.000 0.961 460 E CA -0.853 55.541 56.400 -0.010 0.000 0.834 460 E CB 0.808 30.493 29.700 -0.025 0.000 1.230 460 E HN 0.465 nan 8.360 nan 0.000 0.412 461 E N 1.848 122.022 120.200 -0.044 0.000 2.070 461 E HA 0.095 4.444 4.350 -0.000 0.000 0.282 461 E C -1.694 174.865 176.600 -0.068 0.000 1.104 461 E CA -1.523 54.852 56.400 -0.042 0.000 0.876 461 E CB 0.752 30.436 29.700 -0.028 0.000 1.055 461 E HN 0.127 nan 8.360 nan 0.000 0.401 462 P HA -0.273 nan 4.420 nan 0.000 0.214 462 P C 1.396 178.663 177.300 -0.055 0.000 1.163 462 P CA 1.479 64.541 63.100 -0.063 0.000 0.889 462 P CB 0.175 31.853 31.700 -0.036 0.000 0.790 463 S N -1.214 114.465 115.700 -0.035 0.000 2.400 463 S HA -0.136 4.334 4.470 -0.000 0.000 0.232 463 S C 1.983 176.568 174.600 -0.024 0.000 1.025 463 S CA 1.560 59.746 58.200 -0.023 0.000 0.993 463 S CB -1.767 61.424 63.200 -0.015 0.000 0.808 463 S HN -0.039 nan 8.310 nan 0.000 0.478 464 V N 1.429 121.323 119.914 -0.033 0.000 2.283 464 V HA -0.084 4.036 4.120 -0.000 0.000 0.243 464 V C 2.637 178.717 176.094 -0.023 0.000 1.039 464 V CA 1.431 63.716 62.300 -0.025 0.000 1.016 464 V CB -0.802 31.007 31.823 -0.023 0.000 0.650 464 V HN 0.428 nan 8.190 nan 0.000 0.449 465 V N 0.394 120.258 119.914 -0.083 0.000 2.295 465 V HA -0.269 3.850 4.120 -0.000 0.000 0.246 465 V C 2.749 178.830 176.094 -0.022 0.000 1.049 465 V CA 2.085 64.313 62.300 -0.121 0.000 1.024 465 V CB -1.103 30.416 31.823 -0.506 0.000 0.648 465 V HN 0.553 nan 8.190 nan 0.000 0.447 466 A N 0.399 123.195 122.820 -0.041 0.000 1.883 466 A HA -0.338 3.982 4.320 -0.000 0.000 0.217 466 A C 2.065 179.667 177.584 0.030 0.000 1.186 466 A CA 2.558 54.594 52.037 -0.002 0.000 0.624 466 A CB -0.958 18.036 19.000 -0.009 0.000 0.822 466 A HN 0.628 nan 8.150 nan 0.000 0.444 467 N N -0.725 117.987 118.700 0.020 0.000 2.069 467 N HA -0.137 4.603 4.740 -0.000 0.000 0.191 467 N C 1.716 177.254 175.510 0.047 0.000 1.031 467 N CA 2.471 55.536 53.050 0.025 0.000 0.852 467 N CB -0.495 37.997 38.487 0.008 0.000 1.018 467 N HN 0.420 nan 8.380 nan 0.000 0.423 468 T N -0.275 114.313 114.554 0.057 0.000 2.674 468 T HA -0.094 4.256 4.350 -0.000 0.000 0.265 468 T C 1.968 176.782 174.700 0.189 0.000 1.039 468 T CA 1.493 63.632 62.100 0.064 0.000 1.150 468 T CB -0.554 68.285 68.868 -0.049 0.000 0.864 468 T HN 0.040 nan 8.240 nan 0.000 0.427 469 V N 1.699 121.752 119.914 0.232 0.000 2.324 469 V HA -0.240 3.880 4.120 -0.000 0.000 0.250 469 V C 2.436 178.654 176.094 0.208 0.000 1.060 469 V CA 1.677 64.112 62.300 0.226 0.000 1.042 469 V CB -0.581 31.317 31.823 0.125 0.000 0.650 469 V HN 0.497 nan 8.190 nan 0.000 0.450 470 K N 0.282 120.760 120.400 0.130 0.000 2.097 470 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 470 K C 2.215 178.875 176.600 0.099 0.000 1.049 470 K CA 1.394 57.739 56.287 0.097 0.000 0.933 470 K CB -0.625 31.911 32.500 0.059 0.000 0.717 470 K HN 0.578 nan 8.250 nan 0.000 0.442 471 G N 1.040 109.901 108.800 0.101 0.000 2.470 471 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.220 471 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.220 471 G C 0.786 175.716 174.900 0.050 0.000 1.121 471 G CA 0.737 45.873 45.100 0.060 0.000 0.766 471 G HN 0.376 nan 8.290 nan 0.000 0.553 472 G N -1.107 107.783 108.800 0.151 0.000 2.509 472 G HA2 0.493 4.453 3.960 -0.000 0.000 0.269 472 G HA3 0.493 4.453 3.960 -0.000 0.000 0.269 472 G C -0.874 174.076 174.900 0.084 0.000 1.416 472 G CA -0.390 44.747 45.100 0.061 0.000 1.052 472 G HN 0.140 nan 8.290 nan 0.000 0.542 473 D N -2.319 118.128 120.400 0.078 0.000 2.592 473 D HA 0.490 5.130 4.640 -0.000 0.000 0.263 473 D C 0.950 177.322 176.300 0.120 0.000 1.132 473 D CA 0.547 54.593 54.000 0.076 0.000 0.996 473 D CB 1.880 42.689 40.800 0.015 0.000 1.442 473 D HN 0.782 nan 8.370 nan 0.000 0.486 474 G N 1.175 110.024 108.800 0.082 0.000 2.684 474 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.332 474 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.332 474 G C 0.307 175.268 174.900 0.102 0.000 1.306 474 G CA 0.770 45.918 45.100 0.080 0.000 1.002 474 G HN 0.610 nan 8.290 nan 0.000 0.545 475 N N -0.004 118.758 118.700 0.103 0.000 2.378 475 N HA 0.363 5.103 4.740 -0.000 0.000 0.243 475 N C -0.179 175.411 175.510 0.135 0.000 1.137 475 N CA -0.108 52.998 53.050 0.094 0.000 0.862 475 N CB 0.274 38.797 38.487 0.060 0.000 1.116 475 N HN 0.522 nan 8.380 nan 0.000 0.499 476 Y N 0.906 121.238 120.300 0.053 0.000 2.377 476 Y HA 0.553 5.103 4.550 -0.000 0.000 0.330 476 Y C 0.651 176.614 175.900 0.106 0.000 1.108 476 Y CA -0.118 58.028 58.100 0.078 0.000 1.308 476 Y CB 0.288 38.795 38.460 0.078 0.000 1.216 476 Y HN 0.081 nan 8.280 nan 0.000 0.518 477 G N 3.929 112.434 108.800 -0.492 0.000 2.554 477 G HA2 0.221 4.181 3.960 -0.000 0.000 0.306 477 G HA3 0.221 4.181 3.960 -0.000 0.000 0.306 477 G C -2.476 172.211 174.900 -0.356 0.000 1.320 477 G CA -1.005 43.881 45.100 -0.356 0.000 0.800 477 G HN 0.599 nan 8.290 nan 0.000 0.481 478 Y N 1.535 121.582 120.300 -0.421 0.000 2.326 478 Y HA 0.586 5.136 4.550 -0.000 0.000 0.337 478 Y C 0.072 175.751 175.900 -0.369 0.000 1.023 478 Y CA -1.250 56.473 58.100 -0.629 0.000 1.143 478 Y CB 1.477 39.544 38.460 -0.654 0.000 1.183 478 Y HN 0.408 nan 8.280 nan 0.000 0.485 479 N N 5.165 123.392 118.700 -0.789 0.000 2.602 479 N HA 0.164 4.904 4.740 -0.000 0.000 0.238 479 N C 0.589 175.576 175.510 -0.871 0.000 1.084 479 N CA 0.561 53.260 53.050 -0.585 0.000 0.952 479 N CB 0.987 39.243 38.487 -0.386 0.000 1.244 479 N HN 0.938 nan 8.380 nan 0.000 0.512 480 A N 3.669 126.096 122.820 -0.654 0.000 1.997 480 A HA -0.192 4.128 4.320 -0.000 0.000 0.221 480 A C 2.114 179.527 177.584 -0.285 0.000 1.172 480 A CA 2.069 53.854 52.037 -0.421 0.000 0.645 480 A CB -0.634 18.335 19.000 -0.053 0.000 0.813 480 A HN 0.695 nan 8.150 nan 0.000 0.454 481 A N -0.769 121.908 122.820 -0.237 0.000 1.877 481 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 481 A C 2.329 179.817 177.584 -0.159 0.000 1.186 481 A CA 2.451 54.396 52.037 -0.153 0.000 0.620 481 A CB -0.990 17.938 19.000 -0.121 0.000 0.822 481 A HN 0.907 nan 8.150 nan 0.000 0.443 482 T N -4.014 110.408 114.554 -0.221 0.000 3.069 482 T HA 0.265 4.615 4.350 -0.000 0.000 0.252 482 T C 0.294 174.872 174.700 -0.203 0.000 1.053 482 T CA 0.721 62.718 62.100 -0.173 0.000 0.964 482 T CB -0.228 68.556 68.868 -0.141 0.000 1.005 482 T HN 0.582 nan 8.240 nan 0.000 0.532 483 E N 0.652 120.624 120.200 -0.380 0.000 2.971 483 E HA -0.136 4.214 4.350 -0.000 0.000 0.278 483 E C -0.880 175.577 176.600 -0.239 0.000 1.009 483 E CA 0.605 56.800 56.400 -0.341 0.000 0.862 483 E CB -1.064 28.635 29.700 -0.002 0.000 1.436 483 E HN 0.597 nan 8.360 nan 0.000 0.434 484 E N 0.036 120.026 120.200 -0.350 0.000 2.183 484 E HA 0.359 4.709 4.350 -0.000 0.000 0.271 484 E C -0.389 176.098 176.600 -0.190 0.000 0.919 484 E CA -0.571 55.755 56.400 -0.123 0.000 0.781 484 E CB 0.802 30.467 29.700 -0.058 0.000 1.140 484 E HN 0.049 nan 8.360 nan 0.000 0.402 485 Y N 0.423 120.725 120.300 0.003 0.000 2.326 485 Y HA 0.594 5.144 4.550 -0.000 0.000 0.324 485 Y C 1.323 177.220 175.900 -0.005 0.000 1.291 485 Y CA 0.508 58.574 58.100 -0.056 0.000 1.348 485 Y CB 1.465 39.935 38.460 0.017 0.000 1.294 485 Y HN 0.674 nan 8.280 nan 0.000 0.525 486 G N 0.526 109.377 108.800 0.085 0.000 2.351 486 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.279 486 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.279 486 G C -1.759 173.234 174.900 0.155 0.000 1.297 486 G CA -1.200 44.028 45.100 0.213 0.000 0.886 486 G HN 0.552 nan 8.290 nan 0.000 0.493 487 N N 1.170 119.956 118.700 0.143 0.000 2.401 487 N HA 0.133 4.873 4.740 -0.000 0.000 0.255 487 N C 1.775 177.306 175.510 0.035 0.000 1.110 487 N CA -0.489 52.625 53.050 0.107 0.000 0.949 487 N CB 0.783 39.325 38.487 0.092 0.000 1.110 487 N HN 0.387 nan 8.380 nan 0.000 0.490 488 M N 3.519 123.125 119.600 0.011 0.000 2.106 488 M HA -0.182 4.298 4.480 -0.000 0.000 0.259 488 M C 1.633 177.928 176.300 -0.009 0.000 1.068 488 M CA 1.188 56.476 55.300 -0.021 0.000 1.100 488 M CB -0.584 32.001 32.600 -0.024 0.000 1.351 488 M HN 0.558 nan 8.290 nan 0.000 0.404 489 I N 0.197 120.773 120.570 0.009 0.000 2.202 489 I HA -0.245 3.924 4.170 -0.000 0.000 0.242 489 I C 1.915 178.036 176.117 0.006 0.000 1.091 489 I CA 1.361 62.666 61.300 0.008 0.000 1.368 489 I CB -1.662 36.348 38.000 0.017 0.000 1.058 489 I HN 0.210 nan 8.210 nan 0.000 0.410 490 D N 1.005 121.413 120.400 0.014 0.000 2.104 490 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 490 D C 2.200 178.501 176.300 0.001 0.000 0.994 490 D CA 1.287 55.295 54.000 0.012 0.000 0.830 490 D CB -0.250 40.564 40.800 0.023 0.000 0.959 490 D HN 0.313 nan 8.370 nan 0.000 0.452 491 M N -0.539 119.056 119.600 -0.007 0.000 2.686 491 M HA 0.086 4.566 4.480 -0.000 0.000 0.246 491 M C 1.028 177.311 176.300 -0.029 0.000 1.096 491 M CA 0.692 55.977 55.300 -0.025 0.000 1.076 491 M CB 0.100 32.672 32.600 -0.046 0.000 1.504 491 M HN 0.098 nan 8.290 nan 0.000 0.524 492 G N 2.044 110.832 108.800 -0.019 0.000 2.198 492 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 492 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 492 G C -0.005 174.880 174.900 -0.025 0.000 1.025 492 G CA -0.150 44.939 45.100 -0.018 0.000 0.769 492 G HN 0.549 nan 8.290 nan 0.000 0.507 493 I N 0.846 121.397 120.570 -0.031 0.000 2.412 493 I HA 0.475 4.645 4.170 -0.000 0.000 0.279 493 I C 0.252 176.355 176.117 -0.024 0.000 1.063 493 I CA -0.860 60.418 61.300 -0.036 0.000 1.193 493 I CB 0.450 38.414 38.000 -0.060 0.000 1.370 493 I HN 0.206 nan 8.210 nan 0.000 0.479 494 L N 3.225 124.439 121.223 -0.015 0.000 2.322 494 L HA 0.819 5.159 4.340 -0.000 0.000 0.252 494 L C -1.090 175.779 176.870 -0.002 0.000 1.055 494 L CA -0.693 54.143 54.840 -0.006 0.000 0.849 494 L CB 1.368 43.427 42.059 0.000 0.000 1.446 494 L HN 0.038 nan 8.230 nan 0.000 0.416 495 D N -0.809 119.593 120.400 0.004 0.000 2.819 495 D HA 0.450 5.090 4.640 -0.000 0.000 0.232 495 D C -2.822 173.486 176.300 0.013 0.000 1.160 495 D CA -1.075 52.930 54.000 0.007 0.000 0.858 495 D CB 2.747 43.551 40.800 0.007 0.000 1.610 495 D HN 0.364 nan 8.370 nan 0.000 0.481 496 P HA 0.094 nan 4.420 nan 0.000 0.271 496 P C 0.857 178.170 177.300 0.023 0.000 1.220 496 P CA 0.045 63.159 63.100 0.023 0.000 0.768 496 P CB 0.668 32.387 31.700 0.032 0.000 0.848 497 T N 2.382 116.949 114.554 0.021 0.000 2.778 497 T HA -0.228 4.122 4.350 -0.000 0.000 0.269 497 T C 1.602 176.315 174.700 0.022 0.000 1.050 497 T CA 1.344 63.456 62.100 0.019 0.000 1.137 497 T CB -0.288 68.590 68.868 0.017 0.000 0.860 497 T HN 0.501 nan 8.240 nan 0.000 0.468 498 K N 0.881 121.297 120.400 0.028 0.000 2.097 498 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 498 K C 2.439 179.064 176.600 0.042 0.000 1.049 498 K CA 1.413 57.721 56.287 0.035 0.000 0.933 498 K CB -0.274 32.253 32.500 0.045 0.000 0.717 498 K HN 0.364 nan 8.250 nan 0.000 0.442 499 V N -0.556 119.381 119.914 0.039 0.000 2.453 499 V HA -0.133 3.987 4.120 -0.000 0.000 0.247 499 V C 1.752 177.869 176.094 0.039 0.000 1.048 499 V CA 2.212 64.537 62.300 0.040 0.000 1.049 499 V CB -0.559 31.278 31.823 0.024 0.000 0.672 499 V HN 0.263 nan 8.190 nan 0.000 0.457 500 T N 0.551 115.122 114.554 0.028 0.000 2.777 500 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 500 T C 1.963 176.677 174.700 0.023 0.000 1.040 500 T CA 2.041 64.156 62.100 0.024 0.000 1.141 500 T CB -0.363 68.516 68.868 0.018 0.000 0.868 500 T HN 0.628 nan 8.240 nan 0.000 0.444 501 R N 0.896 121.407 120.500 0.018 0.000 2.073 501 R HA -0.091 4.248 4.340 -0.000 0.000 0.234 501 R C 2.526 178.823 176.300 -0.006 0.000 1.134 501 R CA 1.822 57.923 56.100 0.002 0.000 0.952 501 R CB -0.378 29.919 30.300 -0.003 0.000 0.850 501 R HN 0.220 nan 8.270 nan 0.000 0.433 502 S N 0.552 116.267 115.700 0.025 0.000 2.356 502 S HA -0.125 4.345 4.470 -0.000 0.000 0.223 502 S C 2.043 176.728 174.600 0.142 0.000 1.032 502 S CA 1.160 59.398 58.200 0.064 0.000 1.005 502 S CB -0.327 62.980 63.200 0.178 0.000 0.867 502 S HN 0.586 nan 8.310 nan 0.000 0.449 503 A N 1.419 124.312 122.820 0.122 0.000 1.917 503 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 503 A C 2.147 179.785 177.584 0.089 0.000 1.182 503 A CA 1.696 53.802 52.037 0.115 0.000 0.633 503 A CB -0.792 18.247 19.000 0.064 0.000 0.819 503 A HN 0.421 nan 8.150 nan 0.000 0.448 504 L N -0.264 120.986 121.223 0.044 0.000 2.005 504 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 504 L C 2.516 179.387 176.870 0.002 0.000 1.072 504 L CA 2.384 57.237 54.840 0.022 0.000 0.744 504 L CB -0.894 41.168 42.059 0.007 0.000 0.895 504 L HN 0.523 nan 8.230 nan 0.000 0.433 505 Q N -1.691 118.079 119.800 -0.050 0.000 2.050 505 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 505 Q C 2.193 178.117 176.000 -0.127 0.000 0.980 505 Q CA 2.112 57.837 55.803 -0.129 0.000 0.840 505 Q CB -0.391 28.202 28.738 -0.241 0.000 0.898 505 Q HN 0.507 nan 8.270 nan 0.000 0.424 506 Y N 0.350 120.653 120.300 0.004 0.000 2.200 506 Y HA -0.190 4.360 4.550 -0.000 0.000 0.290 506 Y C 2.436 178.338 175.900 0.003 0.000 1.137 506 Y CA 0.979 59.081 58.100 0.004 0.000 1.163 506 Y CB -0.747 37.714 38.460 0.002 0.000 0.988 506 Y HN 0.135 nan 8.280 nan 0.000 0.518 507 A N 0.085 123.000 122.820 0.157 0.000 1.883 507 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 507 A C 2.485 180.105 177.584 0.061 0.000 1.186 507 A CA 2.172 54.264 52.037 0.090 0.000 0.624 507 A CB -1.353 17.685 19.000 0.063 0.000 0.822 507 A HN 0.402 nan 8.150 nan 0.000 0.444 508 A N -0.805 122.039 122.820 0.041 0.000 1.940 508 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 508 A C 2.470 180.069 177.584 0.026 0.000 1.176 508 A CA 2.278 54.328 52.037 0.022 0.000 0.631 508 A CB -0.968 18.034 19.000 0.003 0.000 0.814 508 A HN 0.633 nan 8.150 nan 0.000 0.446 509 S N -0.836 114.885 115.700 0.035 0.000 2.351 509 S HA -0.153 4.317 4.470 -0.000 0.000 0.220 509 S C 1.979 176.610 174.600 0.052 0.000 1.035 509 S CA 1.844 60.069 58.200 0.042 0.000 1.031 509 S CB -0.635 62.606 63.200 0.068 0.000 0.928 509 S HN 0.600 nan 8.310 nan 0.000 0.433 510 V N 1.674 121.629 119.914 0.069 0.000 2.515 510 V HA 0.041 4.161 4.120 -0.000 0.000 0.250 510 V C 2.559 178.675 176.094 0.037 0.000 1.058 510 V CA 1.920 64.251 62.300 0.052 0.000 1.064 510 V CB -1.018 30.837 31.823 0.052 0.000 0.675 510 V HN 0.603 nan 8.190 nan 0.000 0.461 511 A N 0.066 122.907 122.820 0.035 0.000 1.898 511 A HA -0.000 4.319 4.320 -0.000 0.000 0.216 511 A C 2.363 179.961 177.584 0.022 0.000 1.181 511 A CA 1.748 53.801 52.037 0.026 0.000 0.620 511 A CB -1.357 17.657 19.000 0.024 0.000 0.819 511 A HN 0.631 nan 8.150 nan 0.000 0.442 512 G N -0.100 108.713 108.800 0.022 0.000 2.418 512 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 512 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 512 G C 1.553 176.464 174.900 0.019 0.000 1.158 512 G CA 1.048 46.159 45.100 0.018 0.000 0.771 512 G HN 0.428 nan 8.290 nan 0.000 0.545 513 L N -0.312 120.924 121.223 0.023 0.000 2.046 513 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 513 L C 3.123 180.006 176.870 0.021 0.000 1.077 513 L CA 1.053 55.907 54.840 0.022 0.000 0.747 513 L CB -0.332 41.742 42.059 0.026 0.000 0.896 513 L HN 0.251 nan 8.230 nan 0.000 0.432 514 M N -0.587 119.026 119.600 0.022 0.000 2.099 514 M HA -0.197 4.283 4.480 -0.000 0.000 0.262 514 M C 2.309 178.620 176.300 0.019 0.000 1.067 514 M CA 1.773 57.085 55.300 0.021 0.000 1.124 514 M CB -0.328 32.284 32.600 0.021 0.000 1.353 514 M HN 0.177 nan 8.290 nan 0.000 0.410 515 I N 0.151 120.731 120.570 0.017 0.000 2.423 515 I HA -0.231 3.939 4.170 -0.000 0.000 0.254 515 I C 1.676 177.803 176.117 0.016 0.000 1.151 515 I CA 1.451 62.760 61.300 0.015 0.000 1.421 515 I CB -0.551 37.457 38.000 0.014 0.000 1.079 515 I HN 0.403 nan 8.210 nan 0.000 0.431 516 T N -3.085 111.480 114.554 0.018 0.000 3.251 516 T HA 0.180 4.530 4.350 -0.000 0.000 0.259 516 T C 0.405 175.117 174.700 0.022 0.000 0.998 516 T CA -0.350 61.762 62.100 0.019 0.000 0.905 516 T CB -0.372 68.507 68.868 0.017 0.000 1.067 516 T HN -0.071 nan 8.240 nan 0.000 0.569 517 T N 1.936 116.502 114.554 0.021 0.000 2.795 517 T HA 0.378 4.728 4.350 -0.000 0.000 0.282 517 T C 0.499 175.215 174.700 0.026 0.000 0.980 517 T CA -0.583 61.530 62.100 0.022 0.000 1.012 517 T CB 1.756 70.635 68.868 0.019 0.000 0.936 517 T HN 0.098 nan 8.240 nan 0.000 0.457 518 E N 0.432 120.653 120.200 0.035 0.000 2.485 518 E HA 0.188 4.538 4.350 -0.000 0.000 0.213 518 E C 0.014 176.650 176.600 0.059 0.000 0.923 518 E CA 0.109 56.547 56.400 0.063 0.000 1.054 518 E CB 0.823 30.577 29.700 0.091 0.000 1.077 518 E HN 0.564 nan 8.360 nan 0.000 0.509 519 C N 0.539 119.832 119.300 -0.011 0.000 2.888 519 C HA 0.712 5.171 4.460 -0.000 0.000 0.308 519 C C -1.396 173.521 174.990 -0.122 0.000 1.213 519 C CA -0.561 58.361 59.018 -0.161 0.000 1.461 519 C CB 0.632 28.275 27.740 -0.163 0.000 1.934 519 C HN 0.134 nan 8.230 nan 0.000 0.474 520 M N 4.768 124.274 119.600 -0.157 0.000 2.326 520 M HA 0.565 5.045 4.480 -0.000 0.000 0.292 520 M C -1.230 175.114 176.300 0.075 0.000 1.081 520 M CA -0.536 54.782 55.300 0.030 0.000 0.919 520 M CB 2.130 34.857 32.600 0.212 0.000 1.634 520 M HN 0.370 nan 8.290 nan 0.000 0.451 521 V N 1.275 121.208 119.914 0.031 0.000 2.540 521 V HA 0.814 4.934 4.120 -0.000 0.000 0.302 521 V C -0.283 175.766 176.094 -0.074 0.000 1.035 521 V CA -0.387 61.912 62.300 -0.002 0.000 0.873 521 V CB 1.965 33.770 31.823 -0.029 0.000 0.992 521 V HN 0.964 nan 8.190 nan 0.000 0.428 522 T N 1.777 116.248 114.554 -0.138 0.000 2.762 522 T HA 0.349 4.699 4.350 -0.000 0.000 0.301 522 T C -1.486 173.112 174.700 -0.170 0.000 1.299 522 T CA -0.594 61.365 62.100 -0.236 0.000 1.005 522 T CB 1.997 70.555 68.868 -0.518 0.000 1.377 522 T HN 0.639 nan 8.240 nan 0.000 0.504 523 D N 1.509 121.815 120.400 -0.157 0.000 2.362 523 D HA 0.277 4.917 4.640 -0.000 0.000 0.242 523 D C -0.053 176.191 176.300 -0.094 0.000 1.132 523 D CA -0.215 53.726 54.000 -0.099 0.000 0.907 523 D CB 0.752 41.504 40.800 -0.080 0.000 1.195 523 D HN 0.237 nan 8.370 nan 0.000 0.429 524 L N 3.391 124.587 121.223 -0.046 0.000 2.416 524 L HA 0.176 4.516 4.340 -0.000 0.000 0.272 524 L C -1.322 175.530 176.870 -0.029 0.000 1.161 524 L CA -1.004 53.823 54.840 -0.022 0.000 0.845 524 L CB -0.351 41.706 42.059 -0.002 0.000 1.119 524 L HN 0.282 nan 8.230 nan 0.000 0.464 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.088 63.100 -0.020 0.000 0.800 525 P CB 0.000 31.698 31.700 -0.004 0.000 0.726