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 1kpo_1_Y 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 KKARVEAALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 -0.000 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 A N 1.279 124.097 122.820 -0.003 0.000 2.540 3 A HA 0.394 4.714 4.320 -0.000 0.000 0.268 3 A C 0.439 178.020 177.584 -0.006 0.000 1.061 3 A CA 0.670 52.705 52.037 -0.003 0.000 0.821 3 A CB -0.717 18.278 19.000 -0.008 0.000 0.970 3 A HN 0.549 nan 8.150 nan 0.000 0.524 4 K N 1.832 122.234 120.400 0.002 0.000 2.109 4 K HA 0.396 4.716 4.320 -0.000 0.000 0.243 4 K C -0.534 176.067 176.600 0.002 0.000 1.006 4 K CA -0.622 55.668 56.287 0.006 0.000 0.917 4 K CB 0.842 33.356 32.500 0.024 0.000 1.081 4 K HN 0.727 nan 8.250 nan 0.000 0.468 5 D N 0.294 120.700 120.400 0.011 0.000 2.362 5 D HA 0.400 5.040 4.640 -0.000 0.000 0.247 5 D C -1.473 174.885 176.300 0.095 0.000 1.050 5 D CA -0.686 53.325 54.000 0.018 0.000 0.839 5 D CB 1.461 42.231 40.800 -0.051 0.000 1.283 5 D HN 0.041 nan 8.370 nan 0.000 0.477 6 V N 3.942 123.864 119.914 0.014 0.000 2.577 6 V HA 0.444 4.564 4.120 -0.000 0.000 0.303 6 V C -0.212 175.648 176.094 -0.390 0.000 1.042 6 V CA -0.744 61.476 62.300 -0.133 0.000 0.872 6 V CB 2.003 33.703 31.823 -0.204 0.000 0.998 6 V HN 0.451 nan 8.190 nan 0.000 0.423 7 K N 3.529 123.634 120.400 -0.491 0.000 2.375 7 K HA 0.814 5.134 4.320 -0.000 0.000 0.249 7 K C -1.704 174.544 176.600 -0.586 0.000 0.942 7 K CA -0.498 55.450 56.287 -0.566 0.000 0.806 7 K CB 2.328 34.622 32.500 -0.344 0.000 1.227 7 K HN 0.441 nan 8.250 nan 0.000 0.430 8 F N -0.230 119.674 119.950 -0.076 0.000 2.620 8 F HA 0.580 5.107 4.527 -0.000 0.000 0.320 8 F C 0.888 176.652 175.800 -0.059 0.000 1.069 8 F CA -0.470 57.489 58.000 -0.069 0.000 0.953 8 F CB 1.228 40.205 39.000 -0.039 0.000 1.322 8 F HN 0.770 nan 8.300 nan 0.000 0.479 9 G N 1.348 110.249 108.800 0.168 0.000 2.601 9 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.261 9 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.261 9 G C 0.822 175.740 174.900 0.030 0.000 1.289 9 G CA 0.415 45.560 45.100 0.075 0.000 0.920 9 G HN 0.831 nan 8.290 nan 0.000 0.571 10 N N 0.252 118.965 118.700 0.022 0.000 2.100 10 N HA -0.278 4.462 4.740 -0.000 0.000 0.199 10 N C 1.735 177.242 175.510 -0.005 0.000 1.017 10 N CA 2.294 55.348 53.050 0.008 0.000 0.890 10 N CB -0.387 38.107 38.487 0.012 0.000 1.080 10 N HN 0.695 nan 8.380 nan 0.000 0.525 11 D N 0.721 121.120 120.400 -0.002 0.000 2.303 11 D HA -0.262 4.378 4.640 -0.000 0.000 0.190 11 D C 1.842 178.098 176.300 -0.074 0.000 1.011 11 D CA 1.875 55.865 54.000 -0.017 0.000 0.860 11 D CB -0.768 40.024 40.800 -0.012 0.000 0.961 11 D HN 0.433 nan 8.370 nan 0.000 0.453 12 A N 0.018 122.764 122.820 -0.122 0.000 2.042 12 A HA -0.266 4.054 4.320 -0.000 0.000 0.222 12 A C 2.124 179.612 177.584 -0.160 0.000 1.167 12 A CA 1.962 53.860 52.037 -0.231 0.000 0.649 12 A CB -0.384 18.522 19.000 -0.157 0.000 0.809 12 A HN 0.185 nan 8.150 nan 0.000 0.457 13 R N -1.074 119.381 120.500 -0.076 0.000 2.051 13 R HA 0.012 4.352 4.340 -0.000 0.000 0.218 13 R C 2.234 178.518 176.300 -0.027 0.000 1.188 13 R CA 1.122 57.195 56.100 -0.045 0.000 0.992 13 R CB -0.795 29.491 30.300 -0.023 0.000 0.883 13 R HN 0.508 nan 8.270 nan 0.000 0.444 14 V N 0.925 120.831 119.914 -0.014 0.000 2.428 14 V HA -0.298 3.822 4.120 -0.000 0.000 0.255 14 V C 1.871 177.971 176.094 0.010 0.000 1.080 14 V CA 1.710 64.010 62.300 0.001 0.000 1.083 14 V CB -0.533 31.295 31.823 0.008 0.000 0.665 14 V HN 0.154 nan 8.190 nan 0.000 0.461 15 K N -0.102 120.304 120.400 0.009 0.000 2.002 15 K HA -0.017 4.303 4.320 -0.000 0.000 0.209 15 K C 2.268 178.889 176.600 0.035 0.000 1.048 15 K CA 2.134 58.450 56.287 0.049 0.000 0.930 15 K CB -0.564 31.991 32.500 0.091 0.000 0.714 15 K HN 0.550 nan 8.250 nan 0.000 0.438 16 M N 0.490 120.090 119.600 -0.001 0.000 2.080 16 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 16 M C 2.231 178.536 176.300 0.008 0.000 1.068 16 M CA 1.285 56.586 55.300 0.001 0.000 1.109 16 M CB -0.447 32.141 32.600 -0.021 0.000 1.342 16 M HN 0.072 nan 8.290 nan 0.000 0.405 17 L N 0.759 121.984 121.223 0.004 0.000 1.943 17 L HA -0.221 4.119 4.340 -0.000 0.000 0.215 17 L C 2.432 179.308 176.870 0.010 0.000 1.074 17 L CA 2.105 56.948 54.840 0.006 0.000 0.759 17 L CB -1.020 41.041 42.059 0.004 0.000 0.888 17 L HN 0.158 nan 8.230 nan 0.000 0.433 18 R N 0.318 120.826 120.500 0.014 0.000 2.154 18 R HA -0.123 4.217 4.340 -0.000 0.000 0.248 18 R C 2.107 178.418 176.300 0.018 0.000 1.155 18 R CA 1.788 57.897 56.100 0.016 0.000 0.979 18 R CB -1.514 28.798 30.300 0.021 0.000 0.869 18 R HN 0.618 nan 8.270 nan 0.000 0.452 19 G N -0.555 108.260 108.800 0.024 0.000 2.408 19 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 19 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 19 G C 1.412 176.322 174.900 0.016 0.000 1.150 19 G CA 0.974 46.090 45.100 0.026 0.000 0.776 19 G HN 0.366 nan 8.290 nan 0.000 0.542 20 V N -1.054 118.868 119.914 0.013 0.000 2.591 20 V HA -0.005 4.115 4.120 -0.000 0.000 0.249 20 V C 2.187 178.284 176.094 0.006 0.000 1.053 20 V CA 1.663 63.968 62.300 0.008 0.000 1.068 20 V CB -0.627 31.200 31.823 0.006 0.000 0.689 20 V HN 0.135 nan 8.190 nan 0.000 0.462 21 N N 1.035 119.738 118.700 0.006 0.000 2.247 21 N HA -0.135 4.605 4.740 -0.000 0.000 0.189 21 N C 1.640 177.151 175.510 0.003 0.000 1.009 21 N CA 1.715 54.768 53.050 0.004 0.000 0.872 21 N CB -0.425 38.064 38.487 0.005 0.000 0.980 21 N HN 0.532 nan 8.380 nan 0.000 0.436 22 V N 0.700 120.617 119.914 0.004 0.000 2.256 22 V HA -0.130 3.990 4.120 -0.000 0.000 0.240 22 V C 2.320 178.414 176.094 -0.000 0.000 1.036 22 V CA 0.823 63.124 62.300 0.002 0.000 1.008 22 V CB -0.634 31.190 31.823 0.002 0.000 0.648 22 V HN 0.176 nan 8.190 nan 0.000 0.453 23 L N 0.749 121.972 121.223 0.000 0.000 2.089 23 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 23 L C 2.201 179.070 176.870 -0.002 0.000 1.079 23 L CA 2.491 57.330 54.840 -0.002 0.000 0.758 23 L CB -0.987 41.072 42.059 -0.001 0.000 0.891 23 L HN 0.286 nan 8.230 nan 0.000 0.433 24 A N -0.793 122.027 122.820 -0.001 0.000 1.833 24 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 24 A C 1.920 179.502 177.584 -0.002 0.000 1.275 24 A CA 1.327 53.363 52.037 -0.001 0.000 0.602 24 A CB -1.176 17.824 19.000 0.000 0.000 0.929 24 A HN 0.476 nan 8.150 nan 0.000 0.462 25 D N 0.257 120.656 120.400 -0.002 0.000 2.311 25 D HA -0.169 4.471 4.640 -0.000 0.000 0.204 25 D C 1.522 177.820 176.300 -0.004 0.000 1.000 25 D CA 1.598 55.596 54.000 -0.003 0.000 0.910 25 D CB -0.280 40.519 40.800 -0.003 0.000 0.900 25 D HN 0.440 nan 8.370 nan 0.000 0.463 26 A N -0.479 122.339 122.820 -0.004 0.000 2.379 26 A HA 0.296 4.616 4.320 -0.000 0.000 0.236 26 A C 1.672 179.252 177.584 -0.005 0.000 1.272 26 A CA -0.075 51.959 52.037 -0.005 0.000 0.886 26 A CB 0.611 19.608 19.000 -0.005 0.000 0.962 26 A HN 0.130 nan 8.150 nan 0.000 0.504 27 V N -0.744 119.167 119.914 -0.005 0.000 3.193 27 V HA -0.025 4.095 4.120 -0.000 0.000 0.237 27 V C 1.628 177.718 176.094 -0.005 0.000 1.447 27 V CA 0.879 63.175 62.300 -0.005 0.000 1.227 27 V CB 0.008 31.828 31.823 -0.005 0.000 1.040 27 V HN 0.661 nan 8.190 nan 0.000 0.458 28 K N 2.331 122.728 120.400 -0.005 0.000 2.687 28 K HA -0.002 4.318 4.320 -0.000 0.000 0.197 28 K C 1.147 177.743 176.600 -0.008 0.000 1.018 28 K CA 1.428 57.712 56.287 -0.006 0.000 1.035 28 K CB -0.179 32.317 32.500 -0.006 0.000 0.834 28 K HN 0.526 nan 8.250 nan 0.000 0.496 29 V N -2.999 116.911 119.914 -0.007 0.000 2.908 29 V HA -0.030 4.090 4.120 -0.000 0.000 0.240 29 V C 2.078 178.169 176.094 -0.006 0.000 1.117 29 V CA 0.704 63.000 62.300 -0.007 0.000 1.133 29 V CB -0.238 31.581 31.823 -0.006 0.000 0.857 29 V HN 0.433 nan 8.190 nan 0.000 0.478 30 T N -0.452 114.099 114.554 -0.005 0.000 3.427 30 T HA 0.118 4.468 4.350 -0.000 0.000 0.256 30 T C 0.425 175.123 174.700 -0.004 0.000 1.172 30 T CA 0.150 62.247 62.100 -0.005 0.000 1.018 30 T CB -0.987 67.878 68.868 -0.005 0.000 0.981 30 T HN 0.273 nan 8.240 nan 0.000 0.555 31 L N 2.204 123.424 121.223 -0.005 0.000 2.361 31 L HA 0.585 4.925 4.340 -0.000 0.000 0.278 31 L C 0.988 177.856 176.870 -0.003 0.000 1.113 31 L CA 1.479 56.316 54.840 -0.005 0.000 0.849 31 L CB -0.299 41.755 42.059 -0.007 0.000 1.155 31 L HN 0.648 nan 8.230 nan 0.000 0.452 32 G N 5.048 113.847 108.800 -0.001 0.000 2.527 32 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.227 32 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.227 32 G C -2.002 172.899 174.900 0.003 0.000 1.291 32 G CA -0.068 45.034 45.100 0.003 0.000 0.904 32 G HN 0.590 nan 8.290 nan 0.000 0.577 33 P HA 0.215 nan 4.420 nan 0.000 0.221 33 P C 0.908 178.210 177.300 0.004 0.000 1.152 33 P CA 0.828 63.931 63.100 0.004 0.000 0.851 33 P CB 0.220 31.923 31.700 0.005 0.000 0.833 34 K N 1.109 121.513 120.400 0.007 0.000 2.596 34 K HA 0.273 4.593 4.320 -0.000 0.000 0.211 34 K C 1.003 177.603 176.600 0.001 0.000 1.046 34 K CA -0.133 56.157 56.287 0.005 0.000 1.202 34 K CB -0.427 32.080 32.500 0.011 0.000 0.925 34 K HN 0.113 nan 8.250 nan 0.000 0.486 35 G N 1.380 110.180 108.800 -0.000 0.000 2.483 35 G HA2 0.156 4.116 3.960 -0.000 0.000 0.248 35 G HA3 0.156 4.116 3.960 -0.000 0.000 0.248 35 G C 0.211 175.110 174.900 -0.002 0.000 1.248 35 G CA -0.464 44.635 45.100 -0.002 0.000 0.838 35 G HN 0.072 nan 8.290 nan 0.000 0.566 36 R N 0.846 121.344 120.500 -0.003 0.000 2.541 36 R HA 0.289 4.629 4.340 -0.000 0.000 0.254 36 R C -0.298 176.000 176.300 -0.003 0.000 1.130 36 R CA -0.900 55.198 56.100 -0.003 0.000 1.152 36 R CB 0.059 30.357 30.300 -0.004 0.000 1.222 36 R HN 0.573 nan 8.270 nan 0.000 0.579 37 N N -1.051 117.648 118.700 -0.003 0.000 2.443 37 N HA 0.383 5.123 4.740 -0.000 0.000 0.295 37 N C -1.135 174.373 175.510 -0.003 0.000 1.076 37 N CA -0.524 52.524 53.050 -0.003 0.000 0.919 37 N CB 1.772 40.257 38.487 -0.002 0.000 1.176 37 N HN 0.092 nan 8.380 nan 0.000 0.487 38 V N 1.927 121.839 119.914 -0.004 0.000 2.487 38 V HA 0.373 4.493 4.120 -0.000 0.000 0.298 38 V C -0.517 175.574 176.094 -0.005 0.000 1.028 38 V CA -0.827 61.471 62.300 -0.005 0.000 0.860 38 V CB 1.733 33.552 31.823 -0.006 0.000 0.991 38 V HN 0.378 nan 8.190 nan 0.000 0.427 39 V N 6.317 126.228 119.914 -0.005 0.000 2.383 39 V HA 0.426 4.546 4.120 -0.000 0.000 0.275 39 V C -0.051 176.039 176.094 -0.007 0.000 1.036 39 V CA -0.467 61.830 62.300 -0.005 0.000 0.889 39 V CB 1.226 33.047 31.823 -0.004 0.000 0.985 39 V HN 0.625 nan 8.190 nan 0.000 0.459 40 L N 3.605 124.824 121.223 -0.007 0.000 2.321 40 L HA 0.396 4.736 4.340 -0.000 0.000 0.272 40 L C 0.172 177.035 176.870 -0.013 0.000 1.050 40 L CA -0.492 54.342 54.840 -0.011 0.000 0.893 40 L CB 0.791 42.844 42.059 -0.010 0.000 1.272 40 L HN 0.627 nan 8.230 nan 0.000 0.435 41 D N 3.182 123.573 120.400 -0.015 0.000 2.571 41 D HA -0.040 4.600 4.640 -0.000 0.000 0.231 41 D C -0.009 176.274 176.300 -0.028 0.000 1.133 41 D CA 1.108 55.096 54.000 -0.019 0.000 0.862 41 D CB 0.872 41.658 40.800 -0.023 0.000 1.179 41 D HN 0.338 nan 8.370 nan 0.000 0.474 42 K N 1.021 121.404 120.400 -0.027 0.000 2.238 42 K HA 0.363 4.682 4.320 -0.000 0.000 0.239 42 K C 1.034 177.592 176.600 -0.069 0.000 0.987 42 K CA -0.598 55.666 56.287 -0.038 0.000 0.857 42 K CB 1.230 33.724 32.500 -0.010 0.000 1.154 42 K HN 0.543 nan 8.250 nan 0.000 0.439 43 S N 0.866 116.484 115.700 -0.136 0.000 2.309 43 S HA 0.050 4.520 4.470 -0.000 0.000 0.206 43 S C 0.460 174.948 174.600 -0.186 0.000 1.028 43 S CA 0.466 58.498 58.200 -0.281 0.000 0.972 43 S CB -0.333 62.532 63.200 -0.558 0.000 0.961 43 S HN 0.366 nan 8.310 nan 0.000 0.449 44 F N 3.103 123.052 119.950 -0.002 0.000 2.404 44 F HA 0.707 5.234 4.527 -0.000 0.000 0.358 44 F C 1.238 177.037 175.800 -0.001 0.000 1.120 44 F CA 0.026 58.025 58.000 -0.002 0.000 1.144 44 F CB 0.611 39.609 39.000 -0.002 0.000 1.133 44 F HN 0.810 nan 8.300 nan 0.000 0.495 45 G N 1.331 110.243 108.800 0.187 0.000 2.342 45 G HA2 0.375 4.335 3.960 -0.000 0.000 0.220 45 G HA3 0.375 4.335 3.960 -0.000 0.000 0.220 45 G C -1.451 173.487 174.900 0.063 0.000 1.243 45 G CA -0.577 44.584 45.100 0.102 0.000 1.083 45 G HN 0.918 nan 8.290 nan 0.000 0.500 46 A N 0.482 123.328 122.820 0.043 0.000 2.303 46 A HA 0.877 5.197 4.320 -0.000 0.000 0.317 46 A C -1.687 175.909 177.584 0.019 0.000 1.149 46 A CA -0.778 51.275 52.037 0.027 0.000 0.822 46 A CB 0.233 19.246 19.000 0.022 0.000 1.131 46 A HN 0.669 nan 8.150 nan 0.000 0.493 47 P HA 0.167 nan 4.420 nan 0.000 0.270 47 P C -0.288 177.016 177.300 0.005 0.000 1.221 47 P CA 0.350 63.453 63.100 0.005 0.000 0.788 47 P CB 0.356 32.057 31.700 0.002 0.000 0.904 48 T N 1.844 116.399 114.554 0.002 0.000 2.797 48 T HA 0.549 4.899 4.350 -0.000 0.000 0.279 48 T C 0.077 174.777 174.700 0.000 0.000 0.991 48 T CA -0.335 61.766 62.100 0.002 0.000 0.979 48 T CB 0.216 69.085 68.868 0.001 0.000 0.943 48 T HN 0.154 nan 8.240 nan 0.000 0.444 49 I N 2.602 123.173 120.570 0.001 0.000 2.378 49 I HA 0.606 4.776 4.170 -0.000 0.000 0.291 49 I C 0.396 176.513 176.117 -0.001 0.000 0.992 49 I CA -0.513 60.787 61.300 -0.000 0.000 1.154 49 I CB 1.814 39.814 38.000 0.001 0.000 1.315 49 I HN 0.515 nan 8.210 nan 0.000 0.448 50 T N 4.089 118.641 114.554 -0.002 0.000 2.739 50 T HA 0.403 4.753 4.350 -0.000 0.000 0.303 50 T C -0.362 174.336 174.700 -0.003 0.000 1.389 50 T CA -0.572 61.526 62.100 -0.002 0.000 1.001 50 T CB 1.800 70.666 68.868 -0.003 0.000 1.436 50 T HN 0.690 nan 8.240 nan 0.000 0.500 51 K N 0.753 121.150 120.400 -0.004 0.000 2.501 51 K HA 0.208 4.528 4.320 -0.000 0.000 0.204 51 K C -0.833 175.764 176.600 -0.005 0.000 1.067 51 K CA -0.257 56.028 56.287 -0.004 0.000 1.060 51 K CB 0.623 33.121 32.500 -0.003 0.000 0.873 51 K HN 0.367 nan 8.250 nan 0.000 0.540 52 D N 0.965 121.362 120.400 -0.006 0.000 2.483 52 D HA 0.081 4.721 4.640 -0.000 0.000 0.220 52 D C 1.333 177.627 176.300 -0.009 0.000 1.173 52 D CA -0.060 53.935 54.000 -0.008 0.000 0.964 52 D CB 0.611 41.405 40.800 -0.009 0.000 1.046 52 D HN 0.282 nan 8.370 nan 0.000 0.517 53 G N 2.035 110.830 108.800 -0.009 0.000 2.657 53 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.224 53 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.224 53 G C 1.449 176.342 174.900 -0.011 0.000 1.086 53 G CA 0.975 46.069 45.100 -0.009 0.000 0.730 53 G HN 0.471 nan 8.290 nan 0.000 0.602 54 V N 0.483 120.389 119.914 -0.013 0.000 2.283 54 V HA -0.128 3.992 4.120 -0.000 0.000 0.243 54 V C 2.985 179.071 176.094 -0.014 0.000 1.039 54 V CA 2.125 64.415 62.300 -0.016 0.000 1.016 54 V CB -0.624 31.187 31.823 -0.020 0.000 0.650 54 V HN 0.369 nan 8.190 nan 0.000 0.449 55 S N -0.072 115.621 115.700 -0.012 0.000 2.399 55 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 55 S C 1.973 176.567 174.600 -0.011 0.000 1.022 55 S CA 1.348 59.541 58.200 -0.011 0.000 0.983 55 S CB -0.176 63.019 63.200 -0.009 0.000 0.803 55 S HN 0.355 nan 8.310 nan 0.000 0.480 56 V N 1.572 121.479 119.914 -0.010 0.000 2.515 56 V HA -0.149 3.971 4.120 -0.000 0.000 0.250 56 V C 2.461 178.548 176.094 -0.011 0.000 1.058 56 V CA 1.488 63.782 62.300 -0.010 0.000 1.064 56 V CB -1.052 30.765 31.823 -0.008 0.000 0.675 56 V HN 0.524 nan 8.190 nan 0.000 0.461 57 A N -0.185 122.628 122.820 -0.011 0.000 1.825 57 A HA -0.206 4.114 4.320 -0.000 0.000 0.214 57 A C 2.329 179.905 177.584 -0.013 0.000 1.206 57 A CA 1.687 53.717 52.037 -0.012 0.000 0.609 57 A CB -0.676 18.315 19.000 -0.014 0.000 0.851 57 A HN 0.383 nan 8.150 nan 0.000 0.445 58 R N -0.297 120.194 120.500 -0.015 0.000 2.196 58 R HA -0.193 4.147 4.340 -0.000 0.000 0.259 58 R C 1.040 177.331 176.300 -0.015 0.000 1.154 58 R CA 1.738 57.828 56.100 -0.015 0.000 0.976 58 R CB -0.343 29.949 30.300 -0.015 0.000 0.888 58 R HN 0.519 nan 8.270 nan 0.000 0.453 59 E N 0.051 120.243 120.200 -0.014 0.000 2.463 59 E HA 0.057 4.407 4.350 -0.000 0.000 0.191 59 E C 0.161 176.752 176.600 -0.015 0.000 1.083 59 E CA 0.198 56.589 56.400 -0.016 0.000 0.872 59 E CB 0.157 29.848 29.700 -0.016 0.000 0.966 59 E HN 0.230 nan 8.360 nan 0.000 0.491 60 I N 1.084 121.647 120.570 -0.013 0.000 2.437 60 I HA 0.303 4.473 4.170 -0.000 0.000 0.298 60 I C 0.142 176.253 176.117 -0.010 0.000 0.984 60 I CA -0.320 60.974 61.300 -0.011 0.000 1.214 60 I CB 1.442 39.437 38.000 -0.009 0.000 1.365 60 I HN -0.027 nan 8.210 nan 0.000 0.469 61 E N 6.562 126.756 120.200 -0.009 0.000 2.879 61 E HA 0.266 4.616 4.350 -0.000 0.000 0.345 61 E C -1.883 174.711 176.600 -0.009 0.000 0.955 61 E CA -0.431 55.964 56.400 -0.008 0.000 0.801 61 E CB 1.157 30.850 29.700 -0.012 0.000 1.324 61 E HN 0.439 nan 8.360 nan 0.000 0.417 62 L N 2.796 124.016 121.223 -0.005 0.000 2.469 62 L HA 0.394 4.734 4.340 -0.000 0.000 0.253 62 L C 1.665 178.527 176.870 -0.014 0.000 1.143 62 L CA -0.401 54.435 54.840 -0.007 0.000 0.804 62 L CB 0.664 42.724 42.059 0.002 0.000 1.214 62 L HN 0.747 nan 8.230 nan 0.000 0.476 63 E N 0.339 120.528 120.200 -0.018 0.000 2.011 63 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 63 E C 0.446 177.020 176.600 -0.043 0.000 0.980 63 E CA 0.159 56.541 56.400 -0.030 0.000 0.814 63 E CB 0.129 29.811 29.700 -0.029 0.000 0.775 63 E HN 0.690 nan 8.360 nan 0.000 0.454 64 D N 1.314 121.690 120.400 -0.040 0.000 2.433 64 D HA -0.108 4.532 4.640 -0.000 0.000 0.274 64 D C 0.653 176.912 176.300 -0.068 0.000 1.344 64 D CA 0.172 54.134 54.000 -0.064 0.000 0.989 64 D CB 0.552 41.337 40.800 -0.025 0.000 1.116 64 D HN 0.120 nan 8.370 nan 0.000 0.533 65 K N 3.393 123.705 120.400 -0.148 0.000 2.184 65 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 65 K C 1.693 178.301 176.600 0.013 0.000 1.048 65 K CA 1.348 57.554 56.287 -0.135 0.000 0.931 65 K CB -0.356 31.982 32.500 -0.271 0.000 0.718 65 K HN 0.464 nan 8.250 nan 0.000 0.465 66 F N 1.372 121.309 119.950 -0.021 0.000 2.074 66 F HA -0.016 4.511 4.527 -0.000 0.000 0.290 66 F C 2.474 178.265 175.800 -0.014 0.000 1.118 66 F CA 0.576 58.564 58.000 -0.019 0.000 1.199 66 F CB -1.143 37.842 39.000 -0.024 0.000 1.012 66 F HN 0.084 nan 8.300 nan 0.000 0.472 67 E N 0.304 120.620 120.200 0.193 0.000 2.086 67 E HA -0.354 3.996 4.350 -0.000 0.000 0.205 67 E C 1.898 178.541 176.600 0.071 0.000 1.027 67 E CA 1.886 58.344 56.400 0.097 0.000 0.830 67 E CB -0.680 29.056 29.700 0.060 0.000 0.751 67 E HN 0.402 nan 8.360 nan 0.000 0.456 68 N N 0.523 119.260 118.700 0.061 0.000 2.094 68 N HA -0.193 4.547 4.740 -0.000 0.000 0.191 68 N C 1.908 177.447 175.510 0.049 0.000 1.023 68 N CA 1.564 54.638 53.050 0.040 0.000 0.857 68 N CB -0.060 38.441 38.487 0.024 0.000 1.013 68 N HN 0.091 nan 8.380 nan 0.000 0.426 69 M N -0.427 119.223 119.600 0.082 0.000 2.082 69 M HA -0.134 4.346 4.480 -0.000 0.000 0.258 69 M C 2.190 178.517 176.300 0.044 0.000 1.069 69 M CA 1.886 57.231 55.300 0.075 0.000 1.102 69 M CB -0.820 31.854 32.600 0.123 0.000 1.336 69 M HN 0.417 nan 8.290 nan 0.000 0.404 70 G N -0.175 108.650 108.800 0.042 0.000 2.524 70 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.215 70 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.215 70 G C 1.527 176.436 174.900 0.016 0.000 1.239 70 G CA 1.043 46.156 45.100 0.020 0.000 0.798 70 G HN 0.562 nan 8.290 nan 0.000 0.557 71 A N -0.640 122.191 122.820 0.018 0.000 2.148 71 A HA -0.133 4.187 4.320 -0.000 0.000 0.222 71 A C 2.267 179.855 177.584 0.006 0.000 1.161 71 A CA 2.049 54.092 52.037 0.010 0.000 0.662 71 A CB -0.264 18.742 19.000 0.011 0.000 0.799 71 A HN 0.396 nan 8.150 nan 0.000 0.466 72 Q N -1.510 118.296 119.800 0.009 0.000 2.408 72 Q HA 0.155 4.495 4.340 -0.000 0.000 0.205 72 Q C 1.888 177.887 176.000 -0.002 0.000 0.919 72 Q CA 0.595 56.400 55.803 0.003 0.000 0.932 72 Q CB 0.036 28.780 28.738 0.009 0.000 1.058 72 Q HN 0.832 nan 8.270 nan 0.000 0.517 73 M N -0.763 118.837 119.600 -0.000 0.000 2.224 73 M HA -0.080 4.400 4.480 -0.000 0.000 0.253 73 M C 2.221 178.513 176.300 -0.013 0.000 1.115 73 M CA 0.918 56.215 55.300 -0.006 0.000 1.168 73 M CB -0.709 31.891 32.600 -0.000 0.000 1.288 73 M HN 0.038 nan 8.290 nan 0.000 0.446 74 V N 1.081 120.991 119.914 -0.007 0.000 2.370 74 V HA -0.329 3.791 4.120 -0.000 0.000 0.252 74 V C 2.182 178.265 176.094 -0.018 0.000 1.068 74 V CA 2.487 64.783 62.300 -0.008 0.000 1.061 74 V CB -0.696 31.127 31.823 0.001 0.000 0.656 74 V HN 0.548 nan 8.190 nan 0.000 0.455 75 K N -0.684 119.706 120.400 -0.017 0.000 2.057 75 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 75 K C 2.322 178.898 176.600 -0.039 0.000 1.049 75 K CA 1.796 58.070 56.287 -0.023 0.000 0.931 75 K CB -0.280 32.211 32.500 -0.016 0.000 0.714 75 K HN 0.573 nan 8.250 nan 0.000 0.440 76 E N 0.408 120.583 120.200 -0.041 0.000 2.208 76 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 76 E C 1.861 178.402 176.600 -0.099 0.000 0.988 76 E CA 0.574 56.940 56.400 -0.058 0.000 0.828 76 E CB 0.165 29.839 29.700 -0.043 0.000 0.763 76 E HN 0.182 nan 8.360 nan 0.000 0.478 77 V N 0.508 120.359 119.914 -0.104 0.000 2.379 77 V HA -0.097 4.023 4.120 -0.000 0.000 0.243 77 V C 2.287 178.235 176.094 -0.244 0.000 1.035 77 V CA 1.605 63.793 62.300 -0.187 0.000 1.035 77 V CB -0.273 31.484 31.823 -0.110 0.000 0.673 77 V HN 0.284 nan 8.190 nan 0.000 0.457 78 A N 0.539 123.289 122.820 -0.116 0.000 1.917 78 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 78 A C 2.519 180.041 177.584 -0.102 0.000 1.182 78 A CA 2.690 54.684 52.037 -0.072 0.000 0.633 78 A CB -1.153 17.831 19.000 -0.026 0.000 0.819 78 A HN 0.899 nan 8.150 nan 0.000 0.448 79 S N -0.246 115.390 115.700 -0.107 0.000 2.462 79 S HA -0.220 4.250 4.470 -0.000 0.000 0.243 79 S C 1.682 176.205 174.600 -0.129 0.000 1.003 79 S CA 1.707 59.851 58.200 -0.093 0.000 0.970 79 S CB -0.406 62.747 63.200 -0.077 0.000 0.762 79 S HN 0.656 nan 8.310 nan 0.000 0.510 80 K N 1.067 121.312 120.400 -0.257 0.000 2.167 80 K HA 0.223 4.543 4.320 -0.000 0.000 0.203 80 K C 2.583 179.106 176.600 -0.128 0.000 1.052 80 K CA 0.840 56.924 56.287 -0.339 0.000 0.956 80 K CB -0.457 31.535 32.500 -0.845 0.000 0.735 80 K HN 0.475 nan 8.250 nan 0.000 0.451 81 A N 1.914 124.714 122.820 -0.033 0.000 1.865 81 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 81 A C 1.924 179.566 177.584 0.096 0.000 1.191 81 A CA 2.105 54.264 52.037 0.203 0.000 0.623 81 A CB -0.827 18.285 19.000 0.187 0.000 0.826 81 A HN 0.305 nan 8.150 nan 0.000 0.444 82 N N 0.012 118.728 118.700 0.027 0.000 2.149 82 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 82 N C 1.222 176.732 175.510 0.001 0.000 1.019 82 N CA 1.717 54.766 53.050 -0.002 0.000 0.857 82 N CB -0.210 38.260 38.487 -0.028 0.000 0.997 82 N HN 0.440 nan 8.380 nan 0.000 0.426 83 D N -0.554 119.849 120.400 0.006 0.000 2.178 83 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 83 D C 1.565 177.898 176.300 0.055 0.000 0.980 83 D CA 1.141 55.151 54.000 0.016 0.000 0.842 83 D CB -0.155 40.641 40.800 -0.006 0.000 0.948 83 D HN 0.431 nan 8.370 nan 0.000 0.472 84 A N 0.977 123.850 122.820 0.088 0.000 1.864 84 A HA 0.307 4.627 4.320 -0.000 0.000 0.213 84 A C 2.135 179.774 177.584 0.093 0.000 1.266 84 A CA 1.351 53.449 52.037 0.101 0.000 0.612 84 A CB -0.781 18.306 19.000 0.144 0.000 0.940 84 A HN 0.197 nan 8.150 nan 0.000 0.463 85 A N -1.678 121.195 122.820 0.087 0.000 1.861 85 A HA 0.392 4.712 4.320 -0.000 0.000 0.214 85 A C 1.828 179.464 177.584 0.087 0.000 1.322 85 A CA 2.221 54.304 52.037 0.077 0.000 0.601 85 A CB -0.911 18.125 19.000 0.060 0.000 0.966 85 A HN 1.672 nan 8.150 nan 0.000 0.471 86 G N -2.278 106.539 108.800 0.029 0.000 4.362 86 G HA2 0.330 4.289 3.960 -0.000 0.000 0.220 86 G HA3 0.330 4.289 3.960 -0.000 0.000 0.220 86 G C -0.394 174.468 174.900 -0.064 0.000 0.795 86 G CA 0.752 45.818 45.100 -0.058 0.000 0.920 86 G HN 0.800 nan 8.290 nan 0.000 0.715 87 D N -2.806 117.585 120.400 -0.016 0.000 2.851 87 D HA 0.520 5.160 4.640 -0.000 0.000 0.339 87 D C 1.182 177.489 176.300 0.013 0.000 1.347 87 D CA 1.109 55.103 54.000 -0.010 0.000 0.888 87 D CB 0.294 41.090 40.800 -0.006 0.000 1.431 87 D HN 1.192 nan 8.370 nan 0.000 0.509 88 G N -0.996 107.812 108.800 0.014 0.000 2.308 88 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.221 88 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.221 88 G C 1.400 176.316 174.900 0.027 0.000 1.032 88 G CA 1.127 46.243 45.100 0.027 0.000 0.623 88 G HN 1.283 nan 8.290 nan 0.000 0.506 89 T N -0.612 113.953 114.554 0.018 0.000 2.653 89 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 89 T C 2.222 176.926 174.700 0.007 0.000 1.037 89 T CA 3.227 65.333 62.100 0.009 0.000 1.159 89 T CB -1.247 67.616 68.868 -0.008 0.000 0.859 89 T HN 0.688 nan 8.240 nan 0.000 0.449 90 T N 1.478 116.034 114.554 0.003 0.000 2.788 90 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 90 T C 2.243 176.946 174.700 0.006 0.000 1.044 90 T CA 1.819 63.920 62.100 0.001 0.000 1.139 90 T CB -0.853 68.014 68.868 -0.001 0.000 0.867 90 T HN 0.658 nan 8.240 nan 0.000 0.454 91 T N 2.091 116.652 114.554 0.011 0.000 2.770 91 T HA 0.083 4.433 4.350 -0.000 0.000 0.263 91 T C 2.496 177.209 174.700 0.021 0.000 1.039 91 T CA 0.938 63.047 62.100 0.014 0.000 1.142 91 T CB -0.696 68.182 68.868 0.017 0.000 0.868 91 T HN 0.409 nan 8.240 nan 0.000 0.435 92 A N 2.021 124.861 122.820 0.033 0.000 1.869 92 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 92 A C 2.571 180.173 177.584 0.030 0.000 1.203 92 A CA 2.576 54.641 52.037 0.046 0.000 0.638 92 A CB -1.671 17.368 19.000 0.065 0.000 0.831 92 A HN 0.480 nan 8.150 nan 0.000 0.450 93 T N -0.774 113.791 114.554 0.019 0.000 2.653 93 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 93 T C 1.833 176.539 174.700 0.009 0.000 1.035 93 T CA 1.850 63.956 62.100 0.010 0.000 1.154 93 T CB -0.716 68.154 68.868 0.003 0.000 0.862 93 T HN 0.417 nan 8.240 nan 0.000 0.441 94 V N 0.541 120.459 119.914 0.008 0.000 2.809 94 V HA 0.023 4.143 4.120 -0.000 0.000 0.256 94 V C 2.041 178.139 176.094 0.007 0.000 1.080 94 V CA 1.228 63.531 62.300 0.005 0.000 1.102 94 V CB -0.502 31.322 31.823 0.001 0.000 0.705 94 V HN 0.477 nan 8.190 nan 0.000 0.475 95 L N 0.010 121.241 121.223 0.012 0.000 2.023 95 L HA 0.038 4.378 4.340 -0.000 0.000 0.205 95 L C 2.877 179.756 176.870 0.015 0.000 1.073 95 L CA 1.504 56.352 54.840 0.014 0.000 0.745 95 L CB -0.928 41.143 42.059 0.020 0.000 0.900 95 L HN 0.397 nan 8.230 nan 0.000 0.435 96 A N -0.449 122.383 122.820 0.020 0.000 1.869 96 A HA -0.364 3.956 4.320 -0.000 0.000 0.218 96 A C 2.209 179.800 177.584 0.012 0.000 1.203 96 A CA 2.311 54.359 52.037 0.019 0.000 0.638 96 A CB -0.977 18.035 19.000 0.021 0.000 0.831 96 A HN 0.518 nan 8.150 nan 0.000 0.450 97 Q N -0.768 119.037 119.800 0.009 0.000 2.082 97 Q HA -0.308 4.032 4.340 -0.000 0.000 0.211 97 Q C 2.303 178.306 176.000 0.005 0.000 1.002 97 Q CA 2.512 58.318 55.803 0.006 0.000 0.868 97 Q CB -0.442 28.298 28.738 0.004 0.000 0.931 97 Q HN 0.656 nan 8.270 nan 0.000 0.414 98 A N 0.540 123.362 122.820 0.005 0.000 1.892 98 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 98 A C 2.000 179.587 177.584 0.004 0.000 1.188 98 A CA 1.814 53.852 52.037 0.003 0.000 0.631 98 A CB -0.749 18.253 19.000 0.002 0.000 0.822 98 A HN 0.493 nan 8.150 nan 0.000 0.447 99 I N -0.366 120.208 120.570 0.006 0.000 2.133 99 I HA -0.232 3.938 4.170 -0.000 0.000 0.238 99 I C 2.329 178.449 176.117 0.005 0.000 1.074 99 I CA 1.400 62.704 61.300 0.006 0.000 1.342 99 I CB -0.537 37.469 38.000 0.010 0.000 1.053 99 I HN 0.267 nan 8.210 nan 0.000 0.404 100 I N 0.871 121.444 120.570 0.006 0.000 2.194 100 I HA -0.311 3.859 4.170 -0.000 0.000 0.246 100 I C 2.590 178.708 176.117 0.003 0.000 1.093 100 I CA 1.841 63.144 61.300 0.005 0.000 1.355 100 I CB -0.938 37.065 38.000 0.005 0.000 1.046 100 I HN 0.319 nan 8.210 nan 0.000 0.413 101 T N -0.096 114.460 114.554 0.003 0.000 2.759 101 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 101 T C 1.780 176.481 174.700 0.002 0.000 1.042 101 T CA 1.219 63.320 62.100 0.002 0.000 1.140 101 T CB -0.137 68.732 68.868 0.002 0.000 0.864 101 T HN 0.306 nan 8.240 nan 0.000 0.455 102 E N 0.305 120.506 120.200 0.002 0.000 2.340 102 E HA 0.143 4.493 4.350 -0.000 0.000 0.194 102 E C 2.410 179.010 176.600 0.001 0.000 0.996 102 E CA 0.417 56.818 56.400 0.001 0.000 0.869 102 E CB -0.421 29.280 29.700 0.001 0.000 0.835 102 E HN 0.531 nan 8.360 nan 0.000 0.493 103 G N 1.720 110.521 108.800 0.002 0.000 2.464 103 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.214 103 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.214 103 G C 1.637 176.537 174.900 0.001 0.000 1.218 103 G CA 0.455 45.556 45.100 0.002 0.000 0.794 103 G HN 0.182 nan 8.290 nan 0.000 0.542 104 L N 0.311 121.535 121.223 0.000 0.000 2.187 104 L HA -0.071 4.269 4.340 -0.000 0.000 0.213 104 L C 2.735 179.606 176.870 0.000 0.000 1.100 104 L CA 1.276 56.116 54.840 -0.000 0.000 0.765 104 L CB -0.361 41.697 42.059 -0.001 0.000 0.904 104 L HN 0.242 nan 8.230 nan 0.000 0.437 105 K N 0.212 120.613 120.400 0.001 0.000 2.288 105 K HA -0.089 4.231 4.320 -0.000 0.000 0.201 105 K C 2.047 178.647 176.600 0.001 0.000 1.048 105 K CA 0.931 57.218 56.287 0.001 0.000 0.956 105 K CB 0.113 32.614 32.500 0.001 0.000 0.746 105 K HN 0.307 nan 8.250 nan 0.000 0.461 106 A N 0.111 122.932 122.820 0.001 0.000 1.862 106 A HA -0.009 4.311 4.320 -0.000 0.000 0.211 106 A C 2.082 179.666 177.584 -0.000 0.000 1.220 106 A CA 0.684 52.721 52.037 0.000 0.000 0.616 106 A CB -0.610 18.390 19.000 0.000 0.000 0.878 106 A HN 0.060 nan 8.150 nan 0.000 0.453 107 V N 0.543 120.456 119.914 -0.001 0.000 2.233 107 V HA -0.362 3.758 4.120 -0.000 0.000 0.252 107 V C 2.948 179.042 176.094 -0.001 0.000 1.063 107 V CA 2.371 64.671 62.300 -0.001 0.000 1.032 107 V CB -1.295 30.527 31.823 -0.002 0.000 0.645 107 V HN 0.605 nan 8.190 nan 0.000 0.446 108 A N -0.720 122.100 122.820 0.000 0.000 2.225 108 A HA 0.120 4.440 4.320 -0.000 0.000 0.215 108 A C 2.109 179.694 177.584 0.001 0.000 1.164 108 A CA 1.556 53.594 52.037 0.001 0.000 0.710 108 A CB -0.521 18.480 19.000 0.002 0.000 0.780 108 A HN 0.657 nan 8.150 nan 0.000 0.473 109 A N -2.155 120.666 122.820 0.001 0.000 2.195 109 A HA 0.455 4.775 4.320 -0.000 0.000 0.210 109 A C 1.585 179.169 177.584 0.000 0.000 1.165 109 A CA 1.165 53.202 52.037 0.001 0.000 0.806 109 A CB -0.261 18.740 19.000 0.001 0.000 0.847 109 A HN 1.660 nan 8.150 nan 0.000 0.482 110 G N -1.880 106.920 108.800 -0.001 0.000 2.198 110 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.156 110 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.156 110 G C 0.027 174.926 174.900 -0.002 0.000 1.012 110 G CA 0.000 45.099 45.100 -0.001 0.000 0.692 110 G HN 0.270 nan 8.290 nan 0.000 0.492 111 M N 0.854 120.453 119.600 -0.002 0.000 2.444 111 M HA 0.385 4.865 4.480 -0.000 0.000 0.319 111 M C 0.475 176.773 176.300 -0.004 0.000 1.183 111 M CA -0.833 54.466 55.300 -0.003 0.000 1.032 111 M CB 0.964 33.563 32.600 -0.002 0.000 1.569 111 M HN 0.145 nan 8.290 nan 0.000 0.468 112 N N 1.881 120.579 118.700 -0.004 0.000 2.497 112 N HA 0.115 4.855 4.740 -0.000 0.000 0.268 112 N C -2.276 173.231 175.510 -0.005 0.000 1.171 112 N CA -1.194 51.853 53.050 -0.005 0.000 0.948 112 N CB 1.310 39.794 38.487 -0.006 0.000 1.069 112 N HN 0.261 nan 8.380 nan 0.000 0.460 113 P HA -0.030 nan 4.420 nan 0.000 0.214 113 P C 1.749 179.046 177.300 -0.004 0.000 1.162 113 P CA 1.102 64.199 63.100 -0.004 0.000 0.874 113 P CB 0.175 31.871 31.700 -0.006 0.000 0.784 114 M N -0.447 119.150 119.600 -0.005 0.000 2.260 114 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 114 M C 1.138 177.436 176.300 -0.003 0.000 1.066 114 M CA 1.671 56.968 55.300 -0.004 0.000 1.082 114 M CB -1.488 31.108 32.600 -0.006 0.000 1.388 114 M HN 0.005 nan 8.290 nan 0.000 0.419 115 D N -0.146 120.252 120.400 -0.003 0.000 2.144 115 D HA 0.027 4.667 4.640 -0.000 0.000 0.207 115 D C 2.235 178.535 176.300 -0.001 0.000 0.970 115 D CA 0.705 54.704 54.000 -0.003 0.000 0.853 115 D CB -0.226 40.573 40.800 -0.003 0.000 1.007 115 D HN 0.299 nan 8.370 nan 0.000 0.469 116 L N 1.036 122.258 121.223 -0.001 0.000 2.137 116 L HA -0.228 4.112 4.340 -0.000 0.000 0.213 116 L C 2.468 179.339 176.870 0.001 0.000 1.085 116 L CA 1.245 56.085 54.840 -0.000 0.000 0.760 116 L CB -0.389 41.670 42.059 -0.000 0.000 0.893 116 L HN 0.048 nan 8.230 nan 0.000 0.434 117 K N 0.326 120.726 120.400 0.001 0.000 2.097 117 K HA -0.204 4.115 4.320 -0.000 0.000 0.205 117 K C 2.310 178.911 176.600 0.002 0.000 1.050 117 K CA 1.147 57.436 56.287 0.002 0.000 0.938 117 K CB 0.052 32.553 32.500 0.002 0.000 0.718 117 K HN 0.119 nan 8.250 nan 0.000 0.442 118 R N -0.169 120.331 120.500 0.000 0.000 2.062 118 R HA -0.059 4.280 4.340 -0.000 0.000 0.231 118 R C 2.380 178.679 176.300 -0.000 0.000 1.136 118 R CA 1.639 57.739 56.100 -0.000 0.000 0.948 118 R CB -0.699 29.601 30.300 -0.001 0.000 0.845 118 R HN 0.391 nan 8.270 nan 0.000 0.430 119 G N 1.159 109.959 108.800 -0.000 0.000 2.556 119 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.220 119 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.220 119 G C 1.443 176.343 174.900 0.000 0.000 1.156 119 G CA 1.299 46.399 45.100 -0.000 0.000 0.766 119 G HN 0.301 nan 8.290 nan 0.000 0.583 120 I N 0.623 121.194 120.570 0.001 0.000 2.179 120 I HA -0.124 4.046 4.170 -0.000 0.000 0.242 120 I C 2.214 178.331 176.117 0.000 0.000 1.088 120 I CA 1.309 62.610 61.300 0.001 0.000 1.357 120 I CB -0.178 37.824 38.000 0.003 0.000 1.051 120 I HN 0.089 nan 8.210 nan 0.000 0.409 121 D N 0.501 120.901 120.400 0.000 0.000 2.264 121 D HA -0.176 4.464 4.640 -0.000 0.000 0.208 121 D C 2.002 178.300 176.300 -0.004 0.000 0.966 121 D CA 0.958 54.957 54.000 -0.002 0.000 0.864 121 D CB 0.017 40.816 40.800 -0.001 0.000 0.933 121 D HN 0.343 nan 8.370 nan 0.000 0.499 122 K N 0.824 121.222 120.400 -0.003 0.000 2.005 122 K HA -0.010 4.310 4.320 -0.000 0.000 0.206 122 K C 2.126 178.724 176.600 -0.004 0.000 1.044 122 K CA 0.897 57.182 56.287 -0.003 0.000 0.942 122 K CB -0.010 32.489 32.500 -0.002 0.000 0.727 122 K HN -0.075 nan 8.250 nan 0.000 0.439 123 A N 0.877 123.695 122.820 -0.002 0.000 1.971 123 A HA -0.181 4.139 4.320 -0.000 0.000 0.222 123 A C 2.199 179.781 177.584 -0.003 0.000 1.182 123 A CA 1.987 54.023 52.037 -0.002 0.000 0.649 123 A CB -0.762 18.237 19.000 -0.000 0.000 0.818 123 A HN 0.218 nan 8.150 nan 0.000 0.458 124 V N -0.811 119.100 119.914 -0.005 0.000 2.273 124 V HA -0.181 3.939 4.120 -0.000 0.000 0.242 124 V C 2.671 178.757 176.094 -0.012 0.000 1.035 124 V CA 2.330 64.624 62.300 -0.009 0.000 1.013 124 V CB -1.252 30.564 31.823 -0.011 0.000 0.652 124 V HN 0.605 nan 8.190 nan 0.000 0.452 125 T N 0.627 115.174 114.554 -0.013 0.000 2.802 125 T HA -0.252 4.098 4.350 -0.000 0.000 0.269 125 T C 1.839 176.532 174.700 -0.011 0.000 1.062 125 T CA 1.683 63.774 62.100 -0.014 0.000 1.133 125 T CB -0.400 68.461 68.868 -0.012 0.000 0.852 125 T HN 0.569 nan 8.240 nan 0.000 0.485 126 A N 1.399 124.215 122.820 -0.008 0.000 1.843 126 A HA 0.430 4.750 4.320 -0.000 0.000 0.213 126 A C 2.701 180.282 177.584 -0.005 0.000 1.202 126 A CA 1.263 53.297 52.037 -0.005 0.000 0.607 126 A CB -1.241 17.757 19.000 -0.003 0.000 0.847 126 A HN 0.478 nan 8.150 nan 0.000 0.445 127 A N -0.368 122.449 122.820 -0.004 0.000 2.024 127 A HA -0.023 4.297 4.320 -0.000 0.000 0.220 127 A C 2.103 179.684 177.584 -0.006 0.000 1.164 127 A CA 1.819 53.855 52.037 -0.003 0.000 0.643 127 A CB -0.885 18.114 19.000 -0.002 0.000 0.806 127 A HN 0.426 nan 8.150 nan 0.000 0.451 128 V N -0.334 119.573 119.914 -0.011 0.000 2.515 128 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 128 V C 2.289 178.376 176.094 -0.011 0.000 1.058 128 V CA 2.240 64.531 62.300 -0.016 0.000 1.064 128 V CB -0.696 31.111 31.823 -0.025 0.000 0.675 128 V HN 0.658 nan 8.190 nan 0.000 0.461 129 E N -0.226 119.969 120.200 -0.008 0.000 2.075 129 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 129 E C 2.179 178.779 176.600 -0.001 0.000 0.969 129 E CA 0.628 57.025 56.400 -0.005 0.000 0.815 129 E CB -0.105 29.593 29.700 -0.004 0.000 0.776 129 E HN 0.431 nan 8.360 nan 0.000 0.457 130 E N 0.930 121.130 120.200 0.000 0.000 2.273 130 E HA -0.199 4.151 4.350 -0.000 0.000 0.198 130 E C 1.697 178.300 176.600 0.005 0.000 1.002 130 E CA 0.559 56.961 56.400 0.004 0.000 0.828 130 E CB -0.034 29.669 29.700 0.005 0.000 0.747 130 E HN 0.123 nan 8.360 nan 0.000 0.491 131 L N 0.199 121.424 121.223 0.003 0.000 2.162 131 L HA 0.023 4.363 4.340 -0.000 0.000 0.205 131 L C 1.656 178.529 176.870 0.004 0.000 1.086 131 L CA 1.305 56.147 54.840 0.004 0.000 0.778 131 L CB -0.008 42.051 42.059 -0.000 0.000 0.928 131 L HN -0.079 nan 8.230 nan 0.000 0.446 132 K N -0.394 120.007 120.400 0.001 0.000 2.574 132 K HA -0.020 4.300 4.320 -0.000 0.000 0.193 132 K C 1.758 178.360 176.600 0.004 0.000 1.035 132 K CA 0.556 56.844 56.287 0.001 0.000 0.982 132 K CB -0.061 32.438 32.500 -0.001 0.000 0.795 132 K HN 0.439 nan 8.250 nan 0.000 0.491 133 A N 1.567 124.391 122.820 0.006 0.000 1.831 133 A HA -0.081 4.239 4.320 -0.000 0.000 0.213 133 A C 1.977 179.567 177.584 0.010 0.000 1.223 133 A CA 0.726 52.767 52.037 0.008 0.000 0.604 133 A CB -0.563 18.442 19.000 0.009 0.000 0.878 133 A HN 0.112 nan 8.150 nan 0.000 0.450 134 L N 0.528 121.759 121.223 0.013 0.000 2.089 134 L HA -0.135 4.205 4.340 -0.000 0.000 0.213 134 L C 1.558 178.437 176.870 0.015 0.000 1.079 134 L CA 1.241 56.091 54.840 0.017 0.000 0.758 134 L CB -1.298 40.774 42.059 0.021 0.000 0.891 134 L HN 0.434 nan 8.230 nan 0.000 0.433 135 S N 0.370 116.077 115.700 0.012 0.000 2.885 135 S HA 0.007 4.477 4.470 -0.000 0.000 0.334 135 S C -0.092 174.514 174.600 0.011 0.000 1.224 135 S CA -0.286 57.921 58.200 0.011 0.000 1.080 135 S CB -0.030 63.175 63.200 0.008 0.000 0.801 135 S HN 0.076 nan 8.310 nan 0.000 0.510 136 V N 9.786 129.708 119.914 0.012 0.000 2.311 136 V HA 0.306 4.426 4.120 -0.000 0.000 0.275 136 V C -1.665 174.435 176.094 0.010 0.000 1.022 136 V CA -1.715 60.592 62.300 0.012 0.000 0.830 136 V CB 0.680 32.511 31.823 0.014 0.000 1.012 136 V HN 0.776 nan 8.190 nan 0.000 0.452 137 P HA -0.137 nan 4.420 nan 0.000 0.278 137 P C -0.102 177.202 177.300 0.007 0.000 1.271 137 P CA 0.196 63.300 63.100 0.007 0.000 0.860 137 P CB 0.310 32.014 31.700 0.006 0.000 0.864 138 C N 0.748 120.051 119.300 0.006 0.000 3.079 138 C HA 0.299 4.759 4.460 -0.000 0.000 0.246 138 C C 1.188 176.180 174.990 0.004 0.000 1.025 138 C CA 0.028 59.050 59.018 0.006 0.000 1.081 138 C CB -1.372 26.372 27.740 0.007 0.000 1.757 138 C HN 0.549 nan 8.230 nan 0.000 0.646 139 S N 0.612 116.314 115.700 0.003 0.000 2.527 139 S HA 0.083 4.553 4.470 -0.000 0.000 0.227 139 S C 0.371 174.971 174.600 0.001 0.000 1.059 139 S CA 0.193 58.394 58.200 0.002 0.000 0.919 139 S CB 0.039 63.239 63.200 0.002 0.000 0.805 139 S HN 0.922 nan 8.310 nan 0.000 0.500 140 D N 2.329 122.730 120.400 0.002 0.000 2.348 140 D HA 0.083 4.723 4.640 -0.000 0.000 0.253 140 D C 0.663 176.964 176.300 0.001 0.000 1.161 140 D CA -0.005 53.996 54.000 0.001 0.000 0.876 140 D CB 1.127 41.928 40.800 0.002 0.000 1.160 140 D HN 0.157 nan 8.370 nan 0.000 0.459 141 S N 1.696 117.396 115.700 0.000 0.000 2.559 141 S HA -0.244 4.226 4.470 -0.000 0.000 0.250 141 S C 1.341 175.942 174.600 0.001 0.000 0.977 141 S CA 0.714 58.914 58.200 -0.000 0.000 0.958 141 S CB -0.311 62.889 63.200 -0.001 0.000 0.751 141 S HN 0.662 nan 8.310 nan 0.000 0.534 142 K N 1.308 121.709 120.400 0.002 0.000 2.141 142 K HA 0.262 4.582 4.320 -0.000 0.000 0.202 142 K C 2.232 178.834 176.600 0.003 0.000 1.045 142 K CA 0.730 57.019 56.287 0.002 0.000 0.971 142 K CB -0.422 32.080 32.500 0.003 0.000 0.795 142 K HN 0.351 nan 8.250 nan 0.000 0.459 143 A N 1.328 124.150 122.820 0.004 0.000 2.014 143 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 143 A C 1.974 179.562 177.584 0.005 0.000 1.163 143 A CA 0.752 52.792 52.037 0.005 0.000 0.652 143 A CB -0.428 18.575 19.000 0.006 0.000 0.808 143 A HN 0.321 nan 8.150 nan 0.000 0.449 144 I N -0.330 120.242 120.570 0.004 0.000 2.286 144 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 144 I C 2.955 179.075 176.117 0.004 0.000 1.115 144 I CA 0.964 62.267 61.300 0.004 0.000 1.392 144 I CB -0.267 37.734 38.000 0.001 0.000 1.065 144 I HN 0.387 nan 8.210 nan 0.000 0.418 145 A N 0.363 123.185 122.820 0.003 0.000 1.858 145 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 145 A C 2.205 179.793 177.584 0.005 0.000 1.190 145 A CA 1.629 53.668 52.037 0.004 0.000 0.617 145 A CB -0.724 18.278 19.000 0.003 0.000 0.827 145 A HN 0.463 nan 8.150 nan 0.000 0.443 146 Q N -0.508 119.295 119.800 0.006 0.000 2.152 146 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 146 Q C 2.129 178.134 176.000 0.008 0.000 0.985 146 Q CA 1.696 57.504 55.803 0.007 0.000 0.863 146 Q CB -0.484 28.258 28.738 0.007 0.000 0.904 146 Q HN 0.514 nan 8.270 nan 0.000 0.422 147 V N 0.339 120.258 119.914 0.009 0.000 2.221 147 V HA -0.192 3.928 4.120 -0.000 0.000 0.242 147 V C 2.292 178.394 176.094 0.012 0.000 1.041 147 V CA 2.079 64.385 62.300 0.011 0.000 0.995 147 V CB -1.281 30.549 31.823 0.012 0.000 0.635 147 V HN 0.554 nan 8.190 nan 0.000 0.448 148 G N -0.731 108.076 108.800 0.012 0.000 2.507 148 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.221 148 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.221 148 G C 1.649 176.556 174.900 0.011 0.000 1.119 148 G CA 1.754 46.861 45.100 0.013 0.000 0.751 148 G HN 0.484 nan 8.290 nan 0.000 0.574 149 T N 1.017 115.576 114.554 0.009 0.000 2.821 149 T HA 0.004 4.354 4.350 -0.000 0.000 0.267 149 T C 2.303 177.008 174.700 0.008 0.000 1.046 149 T CA 0.873 62.977 62.100 0.007 0.000 1.139 149 T CB -0.099 68.772 68.868 0.006 0.000 0.871 149 T HN 0.326 nan 8.240 nan 0.000 0.454 150 I N 0.691 121.267 120.570 0.009 0.000 2.876 150 I HA -0.002 4.168 4.170 -0.000 0.000 0.264 150 I C 2.141 178.264 176.117 0.010 0.000 1.204 150 I CA 0.548 61.853 61.300 0.008 0.000 1.485 150 I CB -0.101 37.905 38.000 0.009 0.000 1.103 150 I HN 0.110 nan 8.210 nan 0.000 0.446 151 S N 0.833 116.541 115.700 0.013 0.000 2.527 151 S HA 0.145 4.615 4.470 -0.000 0.000 0.222 151 S C 1.672 176.281 174.600 0.015 0.000 0.985 151 S CA 0.738 58.947 58.200 0.017 0.000 0.921 151 S CB 0.138 63.352 63.200 0.024 0.000 0.772 151 S HN 0.483 nan 8.310 nan 0.000 0.529 152 A N 1.335 124.163 122.820 0.012 0.000 2.500 152 A HA 0.446 4.766 4.320 -0.000 0.000 0.267 152 A C 0.563 178.151 177.584 0.007 0.000 1.290 152 A CA -0.371 51.673 52.037 0.011 0.000 0.928 152 A CB -0.402 18.605 19.000 0.010 0.000 1.066 152 A HN 0.365 nan 8.150 nan 0.000 0.516 153 N N -0.234 118.470 118.700 0.006 0.000 2.746 153 N HA -0.209 4.531 4.740 -0.000 0.000 0.250 153 N C 0.209 175.721 175.510 0.003 0.000 1.055 153 N CA 1.047 54.099 53.050 0.004 0.000 0.699 153 N CB -1.857 36.632 38.487 0.003 0.000 0.919 153 N HN 0.518 nan 8.380 nan 0.000 0.548 154 S N -1.562 114.140 115.700 0.003 0.000 3.490 154 S HA -0.232 4.238 4.470 -0.000 0.000 0.301 154 S C -0.356 174.245 174.600 0.003 0.000 1.233 154 S CA 0.828 59.030 58.200 0.003 0.000 0.914 154 S CB -1.038 62.162 63.200 0.001 0.000 1.047 154 S HN 0.766 nan 8.310 nan 0.000 0.602 155 D N 1.381 121.784 120.400 0.004 0.000 2.441 155 D HA 0.215 4.855 4.640 -0.000 0.000 0.221 155 D C 1.137 177.439 176.300 0.004 0.000 1.156 155 D CA -0.255 53.748 54.000 0.004 0.000 0.896 155 D CB 0.483 41.286 40.800 0.004 0.000 1.028 155 D HN 0.477 nan 8.370 nan 0.000 0.509 156 E N 1.338 121.540 120.200 0.003 0.000 2.130 156 E HA -0.182 4.168 4.350 -0.000 0.000 0.196 156 E C 1.521 178.123 176.600 0.003 0.000 0.998 156 E CA 1.297 57.699 56.400 0.003 0.000 0.806 156 E CB 0.149 29.850 29.700 0.002 0.000 0.738 156 E HN 0.498 nan 8.360 nan 0.000 0.459 157 T N 1.031 115.586 114.554 0.003 0.000 2.699 157 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 157 T C 2.101 176.803 174.700 0.003 0.000 1.036 157 T CA 1.455 63.556 62.100 0.002 0.000 1.147 157 T CB -0.322 68.548 68.868 0.002 0.000 0.862 157 T HN -0.000 nan 8.240 nan 0.000 0.446 158 V N 1.497 121.414 119.914 0.004 0.000 2.216 158 V HA -0.105 4.015 4.120 -0.000 0.000 0.243 158 V C 2.929 179.025 176.094 0.004 0.000 1.044 158 V CA 2.018 64.321 62.300 0.005 0.000 0.995 158 V CB -1.634 30.193 31.823 0.007 0.000 0.633 158 V HN 0.577 nan 8.190 nan 0.000 0.446 159 G N 0.001 108.804 108.800 0.005 0.000 2.663 159 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.222 159 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.222 159 G C 1.631 176.533 174.900 0.002 0.000 1.146 159 G CA 1.811 46.914 45.100 0.004 0.000 0.764 159 G HN 0.544 nan 8.290 nan 0.000 0.608 160 K N 0.068 120.469 120.400 0.002 0.000 1.985 160 K HA 0.020 4.340 4.320 -0.000 0.000 0.210 160 K C 2.637 179.236 176.600 -0.001 0.000 1.047 160 K CA 1.192 57.480 56.287 0.000 0.000 0.932 160 K CB -0.387 32.113 32.500 0.000 0.000 0.716 160 K HN 0.347 nan 8.250 nan 0.000 0.439 161 L N 1.135 122.357 121.223 -0.001 0.000 2.034 161 L HA -0.294 4.046 4.340 -0.000 0.000 0.217 161 L C 2.501 179.368 176.870 -0.004 0.000 1.077 161 L CA 1.644 56.483 54.840 -0.002 0.000 0.769 161 L CB -0.420 41.639 42.059 -0.001 0.000 0.890 161 L HN 0.334 nan 8.230 nan 0.000 0.435 162 I N -0.799 119.769 120.570 -0.003 0.000 2.090 162 I HA -0.330 3.840 4.170 -0.000 0.000 0.236 162 I C 2.811 178.924 176.117 -0.007 0.000 1.064 162 I CA 1.286 62.583 61.300 -0.006 0.000 1.324 162 I CB -0.663 37.335 38.000 -0.003 0.000 1.044 162 I HN 0.252 nan 8.210 nan 0.000 0.399 163 A N 0.601 123.418 122.820 -0.004 0.000 1.915 163 A HA -0.302 4.018 4.320 -0.000 0.000 0.220 163 A C 2.186 179.767 177.584 -0.005 0.000 1.198 163 A CA 2.287 54.321 52.037 -0.004 0.000 0.647 163 A CB -0.880 18.119 19.000 -0.002 0.000 0.825 163 A HN 0.544 nan 8.150 nan 0.000 0.456 164 E N -0.636 119.562 120.200 -0.005 0.000 2.153 164 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 164 E C 2.318 178.914 176.600 -0.007 0.000 0.988 164 E CA 0.861 57.258 56.400 -0.005 0.000 0.811 164 E CB -0.275 29.423 29.700 -0.004 0.000 0.746 164 E HN 0.673 nan 8.360 nan 0.000 0.466 165 A N 1.283 124.098 122.820 -0.009 0.000 1.854 165 A HA -0.141 4.179 4.320 -0.000 0.000 0.214 165 A C 2.179 179.755 177.584 -0.013 0.000 1.192 165 A CA 1.132 53.163 52.037 -0.011 0.000 0.611 165 A CB -0.409 18.582 19.000 -0.014 0.000 0.832 165 A HN 0.103 nan 8.150 nan 0.000 0.442 166 M N -0.827 118.765 119.600 -0.013 0.000 2.213 166 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 166 M C 1.373 177.667 176.300 -0.010 0.000 1.062 166 M CA 1.723 57.015 55.300 -0.013 0.000 1.105 166 M CB -0.588 32.005 32.600 -0.012 0.000 1.385 166 M HN 0.363 nan 8.290 nan 0.000 0.417 167 D N 0.310 120.705 120.400 -0.008 0.000 2.378 167 D HA -0.061 4.579 4.640 -0.000 0.000 0.227 167 D C 1.794 178.090 176.300 -0.007 0.000 1.012 167 D CA 0.754 54.750 54.000 -0.007 0.000 0.905 167 D CB 0.306 41.103 40.800 -0.005 0.000 0.895 167 D HN 0.039 nan 8.370 nan 0.000 0.532 168 K N -0.674 119.721 120.400 -0.008 0.000 2.399 168 K HA 0.116 4.436 4.320 -0.000 0.000 0.196 168 K C 0.871 177.466 176.600 -0.009 0.000 1.103 168 K CA 0.440 56.722 56.287 -0.008 0.000 0.986 168 K CB 1.543 34.038 32.500 -0.009 0.000 0.952 168 K HN 0.152 nan 8.250 nan 0.000 0.541 169 V N -3.054 116.854 119.914 -0.011 0.000 3.261 169 V HA 0.437 4.557 4.120 -0.000 0.000 0.330 169 V C 0.260 176.347 176.094 -0.012 0.000 1.461 169 V CA -0.192 62.101 62.300 -0.011 0.000 1.127 169 V CB 0.096 31.910 31.823 -0.014 0.000 1.044 169 V HN 0.215 nan 8.190 nan 0.000 0.499 170 G N 2.526 111.320 108.800 -0.010 0.000 2.750 170 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.686 170 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.686 170 G C 0.248 175.140 174.900 -0.012 0.000 1.395 170 G CA -0.011 45.083 45.100 -0.010 0.000 0.918 170 G HN 0.781 nan 8.290 nan 0.000 0.594 171 K N 0.330 120.723 120.400 -0.011 0.000 2.633 171 K HA -0.018 4.302 4.320 -0.000 0.000 0.193 171 K C 0.616 177.207 176.600 -0.015 0.000 1.033 171 K CA 1.361 57.641 56.287 -0.012 0.000 0.980 171 K CB 0.388 32.883 32.500 -0.009 0.000 0.800 171 K HN 0.516 nan 8.250 nan 0.000 0.493 172 E N 1.107 121.299 120.200 -0.014 0.000 2.651 172 E HA 0.125 4.475 4.350 -0.000 0.000 0.208 172 E C 0.399 176.989 176.600 -0.017 0.000 0.997 172 E CA -0.101 56.291 56.400 -0.014 0.000 1.020 172 E CB 1.178 30.873 29.700 -0.009 0.000 1.052 172 E HN 0.414 nan 8.360 nan 0.000 0.465 173 G N 0.386 109.174 108.800 -0.020 0.000 2.642 173 G HA2 0.437 4.397 3.960 -0.000 0.000 0.291 173 G HA3 0.437 4.397 3.960 -0.000 0.000 0.291 173 G C -0.067 174.814 174.900 -0.031 0.000 1.345 173 G CA -0.436 44.651 45.100 -0.022 0.000 1.043 173 G HN -0.034 nan 8.290 nan 0.000 0.528 174 V N 0.048 119.943 119.914 -0.031 0.000 2.509 174 V HA 0.570 4.690 4.120 -0.000 0.000 0.284 174 V C -0.099 175.970 176.094 -0.043 0.000 1.047 174 V CA -0.338 61.937 62.300 -0.041 0.000 0.952 174 V CB 0.887 32.688 31.823 -0.037 0.000 0.988 174 V HN 0.480 nan 8.190 nan 0.000 0.469 175 I N 3.118 123.655 120.570 -0.055 0.000 2.571 175 I HA 0.514 4.684 4.170 -0.000 0.000 0.289 175 I C -0.389 175.696 176.117 -0.053 0.000 1.115 175 I CA -0.151 61.119 61.300 -0.050 0.000 1.045 175 I CB 2.492 40.461 38.000 -0.052 0.000 1.238 175 I HN 0.616 nan 8.210 nan 0.000 0.424 176 T N 4.571 119.102 114.554 -0.039 0.000 2.907 176 T HA 0.601 4.951 4.350 -0.000 0.000 0.292 176 T C -0.502 174.186 174.700 -0.021 0.000 1.043 176 T CA -0.718 61.362 62.100 -0.032 0.000 1.003 176 T CB 2.492 71.342 68.868 -0.031 0.000 1.084 176 T HN 0.380 nan 8.240 nan 0.000 0.483 177 V N 0.090 119.997 119.914 -0.012 0.000 2.378 177 V HA 0.644 4.764 4.120 -0.000 0.000 0.288 177 V C -0.189 175.904 176.094 -0.002 0.000 1.016 177 V CA -0.824 61.473 62.300 -0.005 0.000 0.840 177 V CB 1.026 32.851 31.823 0.003 0.000 0.994 177 V HN 0.865 nan 8.190 nan 0.000 0.431 178 E N 2.527 122.724 120.200 -0.004 0.000 2.803 178 E HA 0.428 4.778 4.350 -0.000 0.000 0.250 178 E C -0.946 175.654 176.600 -0.000 0.000 1.102 178 E CA -0.942 55.457 56.400 -0.003 0.000 1.017 178 E CB 0.840 30.536 29.700 -0.006 0.000 1.346 178 E HN 0.763 nan 8.360 nan 0.000 0.532 179 D N -0.114 120.286 120.400 -0.000 0.000 2.277 179 D HA 0.281 4.921 4.640 -0.000 0.000 0.250 179 D C -0.140 176.160 176.300 -0.000 0.000 1.032 179 D CA -0.220 53.780 54.000 0.001 0.000 0.947 179 D CB 1.490 42.291 40.800 0.002 0.000 1.159 179 D HN 0.442 nan 8.370 nan 0.000 0.460 180 G N -0.896 107.904 108.800 0.001 0.000 2.539 180 G HA2 0.282 4.242 3.960 -0.000 0.000 0.258 180 G HA3 0.282 4.242 3.960 -0.000 0.000 0.258 180 G C 0.842 175.741 174.900 -0.001 0.000 1.202 180 G CA -0.298 44.801 45.100 -0.000 0.000 0.851 180 G HN 0.450 nan 8.290 nan 0.000 0.556 181 T N -2.748 111.805 114.554 -0.001 0.000 3.069 181 T HA 0.470 4.820 4.350 -0.000 0.000 0.252 181 T C 0.973 175.672 174.700 -0.001 0.000 1.053 181 T CA 0.518 62.617 62.100 -0.002 0.000 0.964 181 T CB 0.358 69.225 68.868 -0.003 0.000 1.005 181 T HN 2.006 nan 8.240 nan 0.000 0.532 182 G N 2.008 110.808 108.800 -0.000 0.000 2.421 182 G HA2 0.307 4.267 3.960 -0.000 0.000 0.360 182 G HA3 0.307 4.267 3.960 -0.000 0.000 0.360 182 G C -0.581 174.319 174.900 -0.000 0.000 1.219 182 G CA -0.620 44.480 45.100 -0.000 0.000 1.257 182 G HN 0.616 nan 8.290 nan 0.000 0.609 183 L N 0.023 121.246 121.223 0.000 0.000 0.611 183 L HA -0.185 4.155 4.340 -0.000 0.000 0.356 183 L C 0.481 177.351 176.870 -0.000 0.000 1.007 183 L CA 2.329 57.169 54.840 0.000 0.000 1.222 183 L CB -0.314 41.745 42.059 0.000 0.000 0.016 183 L HN 1.793 nan 8.230 nan 0.000 0.101 184 Q N 1.536 121.336 119.800 -0.000 0.000 2.667 184 Q HA -0.125 4.215 4.340 -0.000 0.000 0.210 184 Q C -0.612 175.388 176.000 -0.001 0.000 1.417 184 Q CA 1.024 56.826 55.803 -0.001 0.000 0.607 184 Q CB -0.583 28.155 28.738 -0.001 0.000 0.739 184 Q HN 0.595 nan 8.270 nan 0.000 0.315 185 D N 3.382 123.782 120.400 -0.001 0.000 2.455 185 D HA 0.034 4.674 4.640 -0.000 0.000 0.241 185 D C 0.303 176.601 176.300 -0.002 0.000 1.138 185 D CA 0.771 54.771 54.000 -0.001 0.000 0.877 185 D CB 0.708 41.508 40.800 -0.001 0.000 1.187 185 D HN 0.307 nan 8.370 nan 0.000 0.451 186 E N 0.340 120.538 120.200 -0.003 0.000 2.221 186 E HA 0.593 4.943 4.350 -0.000 0.000 0.268 186 E C -0.893 175.704 176.600 -0.005 0.000 0.933 186 E CA -0.992 55.406 56.400 -0.004 0.000 0.809 186 E CB 2.257 31.954 29.700 -0.004 0.000 1.190 186 E HN 0.126 nan 8.360 nan 0.000 0.406 187 L N 2.836 124.056 121.223 -0.005 0.000 2.543 187 L HA 0.414 4.753 4.340 -0.000 0.000 0.265 187 L C -2.200 174.666 176.870 -0.007 0.000 0.945 187 L CA -0.270 54.566 54.840 -0.006 0.000 0.869 187 L CB 1.769 43.825 42.059 -0.006 0.000 1.294 187 L HN 0.596 nan 8.230 nan 0.000 0.405 188 D N 3.558 123.954 120.400 -0.008 0.000 2.623 188 D HA 0.437 5.077 4.640 -0.000 0.000 0.241 188 D C -1.317 174.978 176.300 -0.009 0.000 1.241 188 D CA -0.418 53.578 54.000 -0.008 0.000 0.788 188 D CB 2.086 42.882 40.800 -0.007 0.000 1.413 188 D HN 0.304 nan 8.370 nan 0.000 0.429 189 V N 0.262 120.171 119.914 -0.008 0.000 2.472 189 V HA 0.589 4.709 4.120 -0.000 0.000 0.290 189 V C 0.372 176.461 176.094 -0.008 0.000 1.037 189 V CA -0.649 61.646 62.300 -0.009 0.000 0.908 189 V CB 1.298 33.116 31.823 -0.008 0.000 0.985 189 V HN 0.605 nan 8.190 nan 0.000 0.454 190 V N 1.195 121.103 119.914 -0.009 0.000 2.962 190 V HA 0.649 4.769 4.120 -0.000 0.000 0.313 190 V C -0.340 175.750 176.094 -0.007 0.000 1.099 190 V CA -1.016 61.279 62.300 -0.008 0.000 0.971 190 V CB 2.165 33.981 31.823 -0.010 0.000 1.028 190 V HN 0.714 nan 8.190 nan 0.000 0.430 191 E N 2.455 122.653 120.200 -0.004 0.000 2.341 191 E HA 0.473 4.823 4.350 -0.000 0.000 0.256 191 E C 0.353 176.953 176.600 0.001 0.000 1.125 191 E CA 0.835 57.235 56.400 -0.001 0.000 0.939 191 E CB 0.786 30.487 29.700 0.001 0.000 0.991 191 E HN 1.101 nan 8.360 nan 0.000 0.458 192 G N 1.683 110.485 108.800 0.003 0.000 2.911 192 G HA2 0.747 4.707 3.960 -0.000 0.000 0.299 192 G HA3 0.747 4.707 3.960 -0.000 0.000 0.299 192 G C -0.922 173.987 174.900 0.016 0.000 1.283 192 G CA -0.545 44.557 45.100 0.005 0.000 0.805 192 G HN 0.418 nan 8.290 nan 0.000 0.548 193 M N -0.900 118.709 119.600 0.016 0.000 2.956 193 M HA 0.521 5.001 4.480 -0.000 0.000 0.272 193 M C -2.478 173.823 176.300 0.003 0.000 1.132 193 M CA -0.621 54.703 55.300 0.039 0.000 0.805 193 M CB 2.340 34.998 32.600 0.098 0.000 1.639 193 M HN 0.644 nan 8.290 nan 0.000 0.520 194 Q N 2.718 122.529 119.800 0.018 0.000 2.280 194 Q HA 0.545 4.885 4.340 -0.000 0.000 0.259 194 Q C -2.258 173.743 176.000 0.002 0.000 0.964 194 Q CA -0.525 55.218 55.803 -0.100 0.000 0.844 194 Q CB 1.854 30.532 28.738 -0.099 0.000 1.334 194 Q HN 0.582 nan 8.270 nan 0.000 0.423 195 F N -0.003 119.940 119.950 -0.012 0.000 2.579 195 F HA 0.547 5.074 4.527 -0.000 0.000 0.324 195 F C 0.120 175.914 175.800 -0.010 0.000 1.058 195 F CA -1.134 56.861 58.000 -0.008 0.000 0.944 195 F CB 0.975 39.973 39.000 -0.003 0.000 1.245 195 F HN 0.289 nan 8.300 nan 0.000 0.477 196 D N 2.430 122.960 120.400 0.217 0.000 2.982 196 D HA 0.087 4.727 4.640 -0.000 0.000 0.238 196 D C -0.163 176.218 176.300 0.134 0.000 1.168 196 D CA 0.355 54.423 54.000 0.113 0.000 0.947 196 D CB -0.059 40.793 40.800 0.087 0.000 1.147 196 D HN 0.242 nan 8.370 nan 0.000 0.450 197 R N -0.036 120.567 120.500 0.172 0.000 2.670 197 R HA 0.593 4.933 4.340 -0.000 0.000 0.289 197 R C 0.374 176.683 176.300 0.015 0.000 0.965 197 R CA -0.716 55.478 56.100 0.157 0.000 0.899 197 R CB 2.169 32.681 30.300 0.352 0.000 1.173 197 R HN 0.097 nan 8.270 nan 0.000 0.456 198 G N 0.877 109.654 108.800 -0.039 0.000 2.667 198 G HA2 0.452 4.412 3.960 -0.000 0.000 0.310 198 G HA3 0.452 4.412 3.960 -0.000 0.000 0.310 198 G C -0.753 174.107 174.900 -0.066 0.000 1.259 198 G CA -0.565 44.426 45.100 -0.181 0.000 1.019 198 G HN 0.434 nan 8.290 nan 0.000 0.496 199 Y N -0.835 119.487 120.300 0.037 0.000 2.652 199 Y HA 0.272 4.822 4.550 -0.000 0.000 0.344 199 Y C 1.351 177.315 175.900 0.107 0.000 1.254 199 Y CA -1.031 57.102 58.100 0.056 0.000 1.480 199 Y CB 0.192 38.722 38.460 0.117 0.000 1.345 199 Y HN 0.213 nan 8.280 nan 0.000 0.617 200 L N 1.258 122.727 121.223 0.409 0.000 2.240 200 L HA 0.052 4.392 4.340 -0.000 0.000 0.211 200 L C 0.511 177.591 176.870 0.349 0.000 1.106 200 L CA 1.177 56.221 54.840 0.339 0.000 0.793 200 L CB -0.458 41.770 42.059 0.282 0.000 0.927 200 L HN 0.840 nan 8.230 nan 0.000 0.446 201 S N -3.137 112.793 115.700 0.384 0.000 2.537 201 S HA 0.485 4.955 4.470 -0.000 0.000 0.271 201 S C -2.750 171.699 174.600 -0.252 0.000 1.148 201 S CA -1.206 57.039 58.200 0.075 0.000 0.868 201 S CB 2.050 65.273 63.200 0.039 0.000 1.115 201 S HN -0.286 nan 8.310 nan 0.000 0.461 202 P HA 0.203 nan 4.420 nan 0.000 0.317 202 P C 0.263 177.247 177.300 -0.526 0.000 1.427 202 P CA 0.564 63.181 63.100 -0.805 0.000 0.820 202 P CB -0.158 31.074 31.700 -0.780 0.000 1.894 203 Y N -4.539 115.586 120.300 -0.291 0.000 2.843 203 Y HA -0.314 4.236 4.550 -0.000 0.000 0.492 203 Y C 1.964 177.742 175.900 -0.203 0.000 1.055 203 Y CA 1.488 59.430 58.100 -0.264 0.000 2.997 203 Y CB -3.173 35.077 38.460 -0.352 0.000 0.837 203 Y HN 0.080 nan 8.280 nan 0.000 0.553 204 F N 0.466 120.425 119.950 0.014 0.000 2.236 204 F HA -0.126 4.401 4.527 -0.000 0.000 0.302 204 F C 1.503 177.302 175.800 -0.001 0.000 1.073 204 F CA 0.979 58.985 58.000 0.011 0.000 1.336 204 F CB -0.757 38.244 39.000 0.002 0.000 1.040 204 F HN -0.009 nan 8.300 nan 0.000 0.507 205 I N 2.497 123.136 120.570 0.115 0.000 2.943 205 I HA -0.226 3.944 4.170 -0.000 0.000 0.296 205 I C 0.764 176.927 176.117 0.076 0.000 1.220 205 I CA 0.537 61.877 61.300 0.066 0.000 1.409 205 I CB -0.122 37.867 38.000 -0.019 0.000 1.374 205 I HN 0.239 nan 8.210 nan 0.000 0.545 206 N N 4.859 123.608 118.700 0.080 0.000 2.184 206 N HA 0.071 4.811 4.740 -0.000 0.000 0.206 206 N C -0.028 175.512 175.510 0.050 0.000 1.151 206 N CA -0.134 52.955 53.050 0.065 0.000 0.878 206 N CB 0.484 39.011 38.487 0.068 0.000 1.014 206 N HN 0.485 nan 8.380 nan 0.000 0.512 207 K N 1.137 121.567 120.400 0.050 0.000 2.920 207 K HA 0.245 4.565 4.320 -0.000 0.000 0.175 207 K C -2.159 174.464 176.600 0.039 0.000 1.099 207 K CA -1.553 54.758 56.287 0.041 0.000 0.939 207 K CB 1.902 34.427 32.500 0.041 0.000 1.148 207 K HN -0.003 nan 8.250 nan 0.000 0.613 208 P HA -0.174 nan 4.420 nan 0.000 0.231 208 P C 0.205 177.518 177.300 0.022 0.000 1.154 208 P CA 1.094 64.209 63.100 0.025 0.000 0.762 208 P CB 0.506 32.217 31.700 0.019 0.000 0.790 209 E N -0.140 120.074 120.200 0.023 0.000 2.016 209 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 209 E C 2.062 178.673 176.600 0.019 0.000 0.985 209 E CA 1.700 58.111 56.400 0.018 0.000 0.802 209 E CB -0.928 28.783 29.700 0.018 0.000 0.762 209 E HN 0.198 nan 8.360 nan 0.000 0.448 210 T N -1.287 113.283 114.554 0.028 0.000 2.942 210 T HA 0.113 4.463 4.350 -0.000 0.000 0.265 210 T C 1.354 176.080 174.700 0.043 0.000 1.062 210 T CA 0.899 63.018 62.100 0.032 0.000 1.139 210 T CB 0.023 68.916 68.868 0.042 0.000 0.883 210 T HN 0.420 nan 8.240 nan 0.000 0.468 211 G N 1.078 109.911 108.800 0.056 0.000 2.130 211 G HA2 0.102 4.062 3.960 -0.000 0.000 0.216 211 G HA3 0.102 4.062 3.960 -0.000 0.000 0.216 211 G C 0.041 175.030 174.900 0.148 0.000 0.999 211 G CA -0.049 45.100 45.100 0.081 0.000 0.686 211 G HN 0.908 nan 8.290 nan 0.000 0.515 212 A N -1.534 121.362 122.820 0.127 0.000 2.486 212 A HA 0.990 5.310 4.320 -0.000 0.000 0.277 212 A C -0.266 177.399 177.584 0.135 0.000 1.282 212 A CA -0.134 52.004 52.037 0.168 0.000 0.784 212 A CB 1.632 20.698 19.000 0.109 0.000 1.350 212 A HN 1.244 nan 8.150 nan 0.000 0.454 213 V N 0.212 120.208 119.914 0.137 0.000 2.769 213 V HA 0.667 4.787 4.120 -0.000 0.000 0.312 213 V C -0.318 175.812 176.094 0.061 0.000 1.058 213 V CA -0.428 61.935 62.300 0.105 0.000 0.952 213 V CB 1.639 33.536 31.823 0.123 0.000 1.019 213 V HN 0.910 nan 8.190 nan 0.000 0.445 214 E N 2.758 122.987 120.200 0.049 0.000 2.278 214 E HA 0.617 4.967 4.350 -0.000 0.000 0.272 214 E C -2.024 174.590 176.600 0.023 0.000 0.890 214 E CA -0.539 55.877 56.400 0.027 0.000 0.770 214 E CB 1.698 31.413 29.700 0.025 0.000 1.212 214 E HN 0.623 nan 8.360 nan 0.000 0.415 215 L N 3.424 124.652 121.223 0.009 0.000 2.381 215 L HA 0.518 4.858 4.340 -0.000 0.000 0.274 215 L C -0.437 176.426 176.870 -0.012 0.000 0.988 215 L CA -0.871 53.972 54.840 0.006 0.000 0.824 215 L CB 2.000 44.063 42.059 0.007 0.000 1.263 215 L HN 0.477 nan 8.230 nan 0.000 0.410 216 E N 1.513 121.703 120.200 -0.016 0.000 2.156 216 E HA 0.301 4.651 4.350 -0.000 0.000 0.279 216 E C -0.151 176.414 176.600 -0.059 0.000 0.965 216 E CA -0.535 55.846 56.400 -0.031 0.000 0.789 216 E CB 1.559 31.246 29.700 -0.022 0.000 1.098 216 E HN 0.634 nan 8.360 nan 0.000 0.397 217 S N 1.732 117.382 115.700 -0.082 0.000 3.614 217 S HA -0.123 4.347 4.470 -0.000 0.000 0.360 217 S C -2.031 172.438 174.600 -0.218 0.000 1.023 217 S CA 0.404 58.520 58.200 -0.140 0.000 1.114 217 S CB -1.334 61.787 63.200 -0.132 0.000 0.907 217 S HN 0.516 nan 8.310 nan 0.000 0.470 218 P HA 0.548 nan 4.420 nan 0.000 0.279 218 P C -0.115 177.052 177.300 -0.220 0.000 1.276 218 P CA -0.600 62.411 63.100 -0.148 0.000 0.801 218 P CB 0.541 32.222 31.700 -0.032 0.000 1.127 219 F N -0.537 119.420 119.950 0.011 0.000 2.432 219 F HA 0.479 5.006 4.527 -0.000 0.000 0.329 219 F C 0.735 176.542 175.800 0.012 0.000 1.076 219 F CA -0.453 57.554 58.000 0.012 0.000 1.018 219 F CB 0.906 39.913 39.000 0.012 0.000 1.201 219 F HN 0.046 nan 8.300 nan 0.000 0.489 220 I N 3.136 123.849 120.570 0.237 0.000 2.569 220 I HA 0.384 4.554 4.170 -0.000 0.000 0.296 220 I C -1.429 174.751 176.117 0.106 0.000 1.028 220 I CA -1.112 60.269 61.300 0.134 0.000 1.082 220 I CB 2.079 40.139 38.000 0.100 0.000 1.264 220 I HN 0.233 nan 8.210 nan 0.000 0.429 221 L N 6.936 128.202 121.223 0.071 0.000 2.280 221 L HA 0.527 4.867 4.340 -0.000 0.000 0.287 221 L C -1.088 175.802 176.870 0.033 0.000 1.023 221 L CA -0.183 54.684 54.840 0.044 0.000 0.819 221 L CB 0.967 43.045 42.059 0.032 0.000 1.212 221 L HN 0.475 nan 8.230 nan 0.000 0.420 222 L N 6.162 127.399 121.223 0.024 0.000 2.301 222 L HA 0.800 5.140 4.340 -0.000 0.000 0.278 222 L C -0.287 176.586 176.870 0.004 0.000 1.022 222 L CA -0.428 54.419 54.840 0.011 0.000 0.854 222 L CB 1.194 43.258 42.059 0.010 0.000 1.226 222 L HN 0.781 nan 8.230 nan 0.000 0.429 223 A N 1.852 124.673 122.820 0.002 0.000 2.381 223 A HA 0.446 4.766 4.320 -0.000 0.000 0.299 223 A C -1.082 176.502 177.584 -0.001 0.000 1.049 223 A CA -0.585 51.453 52.037 0.001 0.000 0.715 223 A CB 1.473 20.477 19.000 0.006 0.000 1.222 223 A HN 0.642 nan 8.150 nan 0.000 0.428 224 D N 2.514 122.912 120.400 -0.003 0.000 2.422 224 D HA 0.489 5.129 4.640 -0.000 0.000 0.227 224 D C -0.053 176.250 176.300 0.004 0.000 1.190 224 D CA 0.413 54.411 54.000 -0.003 0.000 0.905 224 D CB -0.278 40.517 40.800 -0.007 0.000 1.034 224 D HN 0.706 nan 8.370 nan 0.000 0.507 225 K N 0.737 121.142 120.400 0.008 0.000 3.663 225 K HA 0.129 4.449 4.320 -0.000 0.000 0.413 225 K C -1.407 175.204 176.600 0.018 0.000 1.089 225 K CA -1.129 55.166 56.287 0.013 0.000 0.860 225 K CB 0.242 32.749 32.500 0.012 0.000 1.492 225 K HN 0.027 nan 8.250 nan 0.000 0.517 226 K N 0.855 121.267 120.400 0.021 0.000 2.118 226 K HA 0.514 4.834 4.320 -0.000 0.000 0.264 226 K C -0.500 176.115 176.600 0.025 0.000 1.000 226 K CA -0.631 55.672 56.287 0.025 0.000 0.929 226 K CB 0.887 33.402 32.500 0.026 0.000 1.021 226 K HN 0.376 nan 8.250 nan 0.000 0.463 227 I N 1.681 122.269 120.570 0.031 0.000 2.439 227 I HA 0.099 4.269 4.170 -0.000 0.000 0.283 227 I C 0.154 176.292 176.117 0.035 0.000 1.023 227 I CA -0.106 61.213 61.300 0.031 0.000 1.100 227 I CB 1.906 39.926 38.000 0.034 0.000 1.238 227 I HN 0.626 nan 8.210 nan 0.000 0.445 228 S N 2.841 118.558 115.700 0.030 0.000 2.807 228 S HA 0.171 4.641 4.470 -0.000 0.000 0.247 228 S C 0.725 175.341 174.600 0.026 0.000 1.078 228 S CA -0.121 58.097 58.200 0.030 0.000 0.867 228 S CB 0.282 63.497 63.200 0.025 0.000 0.797 228 S HN 0.574 nan 8.310 nan 0.000 0.515 229 N N 2.926 121.639 118.700 0.022 0.000 2.402 229 N HA 0.184 4.924 4.740 -0.000 0.000 0.259 229 N C 0.679 176.201 175.510 0.019 0.000 1.167 229 N CA 0.022 53.083 53.050 0.018 0.000 0.949 229 N CB 0.822 39.317 38.487 0.014 0.000 1.212 229 N HN 0.338 nan 8.380 nan 0.000 0.493 230 I N 3.194 123.777 120.570 0.021 0.000 2.502 230 I HA -0.299 3.871 4.170 -0.000 0.000 0.258 230 I C 1.899 178.026 176.117 0.016 0.000 1.172 230 I CA 1.187 62.500 61.300 0.022 0.000 1.430 230 I CB 0.205 38.218 38.000 0.022 0.000 1.086 230 I HN 0.427 nan 8.210 nan 0.000 0.440 231 R N 0.822 121.329 120.500 0.012 0.000 2.119 231 R HA -0.240 4.100 4.340 -0.000 0.000 0.246 231 R C 1.944 178.248 176.300 0.007 0.000 1.146 231 R CA 2.155 58.260 56.100 0.009 0.000 0.962 231 R CB -0.470 29.834 30.300 0.007 0.000 0.863 231 R HN 0.573 nan 8.270 nan 0.000 0.442 232 E N -0.176 120.030 120.200 0.009 0.000 2.265 232 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 232 E C 1.913 178.516 176.600 0.005 0.000 0.996 232 E CA 0.854 57.258 56.400 0.007 0.000 0.832 232 E CB 0.026 29.731 29.700 0.009 0.000 0.756 232 E HN 0.270 nan 8.360 nan 0.000 0.491 233 M N 0.216 119.821 119.600 0.009 0.000 2.115 233 M HA -0.053 4.427 4.480 -0.000 0.000 0.261 233 M C 2.405 178.706 176.300 0.001 0.000 1.079 233 M CA 1.098 56.403 55.300 0.008 0.000 1.143 233 M CB -1.038 31.573 32.600 0.018 0.000 1.332 233 M HN 0.142 nan 8.290 nan 0.000 0.421 234 L N 0.613 121.837 121.223 0.003 0.000 2.143 234 L HA -0.282 4.058 4.340 -0.000 0.000 0.231 234 L C -0.435 176.430 176.870 -0.010 0.000 1.106 234 L CA 2.070 56.909 54.840 -0.001 0.000 0.827 234 L CB -2.858 39.201 42.059 0.000 0.000 0.915 234 L HN 0.219 nan 8.230 nan 0.000 0.448 235 P HA -0.111 nan 4.420 nan 0.000 0.226 235 P C 1.379 178.660 177.300 -0.032 0.000 1.146 235 P CA 1.376 64.465 63.100 -0.019 0.000 0.773 235 P CB 0.203 31.893 31.700 -0.016 0.000 0.772 236 V N -1.334 118.561 119.914 -0.032 0.000 3.371 236 V HA 0.070 4.190 4.120 -0.000 0.000 0.246 236 V C 2.451 178.515 176.094 -0.050 0.000 1.303 236 V CA 0.234 62.502 62.300 -0.053 0.000 1.156 236 V CB -0.497 31.297 31.823 -0.048 0.000 0.929 236 V HN -0.043 nan 8.190 nan 0.000 0.459 237 L N 0.269 121.479 121.223 -0.023 0.000 2.362 237 L HA -0.073 4.267 4.340 -0.000 0.000 0.219 237 L C 2.234 179.098 176.870 -0.010 0.000 1.134 237 L CA 1.478 56.313 54.840 -0.007 0.000 0.807 237 L CB -0.179 41.886 42.059 0.010 0.000 0.927 237 L HN 0.467 nan 8.230 nan 0.000 0.447 238 E N -0.471 119.717 120.200 -0.020 0.000 2.251 238 E HA 0.036 4.386 4.350 -0.000 0.000 0.194 238 E C 2.133 178.714 176.600 -0.032 0.000 0.964 238 E CA 0.624 57.014 56.400 -0.017 0.000 0.868 238 E CB 0.134 29.826 29.700 -0.013 0.000 0.828 238 E HN 0.389 nan 8.360 nan 0.000 0.481 239 A N 0.963 123.749 122.820 -0.057 0.000 2.168 239 A HA -0.022 4.297 4.320 -0.000 0.000 0.215 239 A C 1.992 179.502 177.584 -0.123 0.000 1.152 239 A CA 0.658 52.644 52.037 -0.085 0.000 0.716 239 A CB 0.083 19.018 19.000 -0.109 0.000 0.794 239 A HN 0.078 nan 8.150 nan 0.000 0.465 240 V N -1.255 118.598 119.914 -0.101 0.000 3.621 240 V HA 0.139 4.259 4.120 -0.000 0.000 0.285 240 V C 2.325 178.430 176.094 0.018 0.000 1.346 240 V CA 0.840 63.091 62.300 -0.082 0.000 1.104 240 V CB 0.031 31.810 31.823 -0.073 0.000 0.913 240 V HN 0.534 nan 8.190 nan 0.000 0.432 241 A N -0.296 122.529 122.820 0.009 0.000 1.975 241 A HA 0.084 4.404 4.320 -0.000 0.000 0.215 241 A C 1.444 179.050 177.584 0.036 0.000 1.170 241 A CA 0.705 52.759 52.037 0.028 0.000 0.656 241 A CB 0.026 19.036 19.000 0.017 0.000 0.821 241 A HN 0.451 nan 8.150 nan 0.000 0.449 242 K N -2.136 118.278 120.400 0.024 0.000 2.118 242 K HA 0.431 4.751 4.320 -0.000 0.000 0.240 242 K C 1.067 177.710 176.600 0.071 0.000 1.035 242 K CA 0.305 56.612 56.287 0.033 0.000 0.899 242 K CB 0.323 32.831 32.500 0.014 0.000 1.085 242 K HN 0.599 nan 8.250 nan 0.000 0.498 243 A N 0.299 123.167 122.820 0.081 0.000 4.115 243 A HA -0.241 4.079 4.320 -0.000 0.000 0.268 243 A C 1.201 178.860 177.584 0.125 0.000 0.917 243 A CA 1.800 53.913 52.037 0.127 0.000 1.090 243 A CB -2.441 16.696 19.000 0.229 0.000 1.067 243 A HN 1.388 nan 8.150 nan 0.000 0.828 244 G N -1.246 107.617 108.800 0.104 0.000 2.321 244 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.287 244 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.287 244 G C -0.012 174.945 174.900 0.095 0.000 1.018 244 G CA 1.517 46.668 45.100 0.085 0.000 0.855 244 G HN 1.165 nan 8.290 nan 0.000 0.507 245 K N 0.724 121.218 120.400 0.158 0.000 2.156 245 K HA 0.518 4.838 4.320 -0.000 0.000 0.254 245 K C -2.006 174.698 176.600 0.173 0.000 0.950 245 K CA -1.989 54.374 56.287 0.126 0.000 0.849 245 K CB 2.337 34.865 32.500 0.046 0.000 1.100 245 K HN 0.070 nan 8.250 nan 0.000 0.434 246 P HA 0.126 nan 4.420 nan 0.000 0.275 246 P C -1.126 176.267 177.300 0.155 0.000 1.266 246 P CA -0.527 62.639 63.100 0.110 0.000 0.793 246 P CB 0.649 32.389 31.700 0.067 0.000 1.074 247 L N 0.246 121.543 121.223 0.125 0.000 2.401 247 L HA 0.565 4.904 4.340 -0.000 0.000 0.266 247 L C -1.422 175.488 176.870 0.066 0.000 0.991 247 L CA -1.039 53.880 54.840 0.131 0.000 0.818 247 L CB 1.703 43.835 42.059 0.121 0.000 1.321 247 L HN 0.174 nan 8.230 nan 0.000 0.413 248 L N 5.097 126.359 121.223 0.066 0.000 2.322 248 L HA 0.663 5.003 4.340 -0.000 0.000 0.281 248 L C -1.217 175.670 176.870 0.029 0.000 1.014 248 L CA -0.225 54.628 54.840 0.022 0.000 0.815 248 L CB 1.430 43.509 42.059 0.033 0.000 1.247 248 L HN 0.429 nan 8.230 nan 0.000 0.421 249 I N 6.804 127.373 120.570 -0.003 0.000 2.362 249 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 249 I C -0.398 175.734 176.117 0.026 0.000 0.994 249 I CA -0.286 61.022 61.300 0.013 0.000 1.158 249 I CB 1.252 39.255 38.000 0.006 0.000 1.315 249 I HN 0.534 nan 8.210 nan 0.000 0.451 250 I N 5.717 126.307 120.570 0.034 0.000 2.439 250 I HA 0.678 4.848 4.170 -0.000 0.000 0.283 250 I C -0.035 176.088 176.117 0.009 0.000 1.023 250 I CA -0.238 61.080 61.300 0.030 0.000 1.100 250 I CB 1.784 39.802 38.000 0.031 0.000 1.238 250 I HN 0.709 nan 8.210 nan 0.000 0.445 251 A N 4.331 127.157 122.820 0.010 0.000 2.588 251 A HA 0.425 4.745 4.320 -0.000 0.000 0.290 251 A C 0.615 178.205 177.584 0.010 0.000 1.136 251 A CA -0.539 51.503 52.037 0.007 0.000 0.681 251 A CB 1.393 20.403 19.000 0.017 0.000 1.282 251 A HN 0.710 nan 8.150 nan 0.000 0.421 252 E N -0.587 119.620 120.200 0.012 0.000 2.147 252 E HA -0.148 4.202 4.350 -0.000 0.000 0.199 252 E C 0.106 176.725 176.600 0.031 0.000 1.005 252 E CA 2.107 58.519 56.400 0.020 0.000 0.810 252 E CB 0.073 29.787 29.700 0.023 0.000 0.736 252 E HN 0.636 nan 8.360 nan 0.000 0.460 253 D N -3.093 117.328 120.400 0.034 0.000 2.940 253 D HA 0.111 4.751 4.640 -0.000 0.000 0.304 253 D C -2.080 174.249 176.300 0.049 0.000 1.255 253 D CA -0.374 53.653 54.000 0.045 0.000 0.734 253 D CB 1.020 41.846 40.800 0.044 0.000 1.261 253 D HN -0.135 nan 8.370 nan 0.000 0.436 254 V N 1.535 121.485 119.914 0.061 0.000 2.610 254 V HA 0.423 4.543 4.120 -0.000 0.000 0.298 254 V C -0.552 175.584 176.094 0.071 0.000 1.067 254 V CA -0.683 61.658 62.300 0.067 0.000 0.894 254 V CB 1.595 33.469 31.823 0.085 0.000 1.015 254 V HN 0.443 nan 8.190 nan 0.000 0.432 255 E N 2.402 122.637 120.200 0.057 0.000 2.250 255 E HA 0.464 4.814 4.350 -0.000 0.000 0.269 255 E C 1.421 178.051 176.600 0.050 0.000 1.018 255 E CA -0.140 56.291 56.400 0.052 0.000 0.873 255 E CB 1.631 31.355 29.700 0.040 0.000 1.134 255 E HN 0.774 nan 8.360 nan 0.000 0.403 256 G N 1.643 110.470 108.800 0.046 0.000 3.437 256 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.238 256 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.238 256 G C 1.219 176.140 174.900 0.035 0.000 1.054 256 G CA 1.666 46.789 45.100 0.040 0.000 0.704 256 G HN 0.542 nan 8.290 nan 0.000 0.713 257 E N 0.715 120.935 120.200 0.033 0.000 2.002 257 E HA 0.135 4.485 4.350 -0.000 0.000 0.196 257 E C 2.942 179.563 176.600 0.035 0.000 0.974 257 E CA 0.952 57.370 56.400 0.029 0.000 0.853 257 E CB -0.858 28.857 29.700 0.025 0.000 0.808 257 E HN 0.329 nan 8.360 nan 0.000 0.492 258 A N 1.011 123.855 122.820 0.040 0.000 2.234 258 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 258 A C 2.080 179.707 177.584 0.071 0.000 1.167 258 A CA 1.164 53.231 52.037 0.049 0.000 0.698 258 A CB -0.471 18.558 19.000 0.048 0.000 0.779 258 A HN 0.328 nan 8.150 nan 0.000 0.475 259 L N -0.603 120.666 121.223 0.076 0.000 2.056 259 L HA 0.205 4.545 4.340 -0.000 0.000 0.202 259 L C 2.513 179.428 176.870 0.076 0.000 1.086 259 L CA 2.108 57.012 54.840 0.106 0.000 0.758 259 L CB -0.992 41.130 42.059 0.104 0.000 0.912 259 L HN 0.225 nan 8.230 nan 0.000 0.446 260 A N -1.669 121.176 122.820 0.043 0.000 2.234 260 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 260 A C 2.054 179.635 177.584 -0.005 0.000 1.167 260 A CA 1.875 53.916 52.037 0.007 0.000 0.698 260 A CB -1.064 17.939 19.000 0.005 0.000 0.779 260 A HN 0.598 nan 8.150 nan 0.000 0.475 261 T N -0.098 114.468 114.554 0.020 0.000 2.814 261 T HA 0.054 4.404 4.350 -0.000 0.000 0.254 261 T C 1.754 176.469 174.700 0.025 0.000 1.037 261 T CA 1.171 63.282 62.100 0.018 0.000 1.143 261 T CB -0.239 68.647 68.868 0.030 0.000 0.866 261 T HN 0.412 nan 8.240 nan 0.000 0.431 262 L N 1.109 122.373 121.223 0.067 0.000 2.156 262 L HA 0.005 4.344 4.340 -0.000 0.000 0.208 262 L C 2.523 179.426 176.870 0.055 0.000 1.095 262 L CA 0.585 55.492 54.840 0.112 0.000 0.770 262 L CB -0.711 41.480 42.059 0.221 0.000 0.914 262 L HN 0.113 nan 8.230 nan 0.000 0.439 263 V N -0.439 119.449 119.914 -0.044 0.000 2.688 263 V HA -0.207 3.913 4.120 -0.000 0.000 0.256 263 V C 2.134 178.103 176.094 -0.208 0.000 1.084 263 V CA 1.294 63.444 62.300 -0.248 0.000 1.103 263 V CB -0.170 31.526 31.823 -0.211 0.000 0.688 263 V HN 0.268 nan 8.190 nan 0.000 0.480 264 V N -1.003 118.841 119.914 -0.117 0.000 3.048 264 V HA -0.011 4.109 4.120 -0.000 0.000 0.241 264 V C 1.909 177.967 176.094 -0.061 0.000 1.129 264 V CA 1.091 63.324 62.300 -0.112 0.000 1.128 264 V CB -0.466 31.302 31.823 -0.092 0.000 0.849 264 V HN 0.497 nan 8.190 nan 0.000 0.475 265 N N 0.980 119.668 118.700 -0.021 0.000 2.084 265 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 265 N C 1.778 177.298 175.510 0.017 0.000 1.030 265 N CA 1.897 54.950 53.050 0.004 0.000 0.849 265 N CB -0.042 38.461 38.487 0.026 0.000 1.012 265 N HN 0.587 nan 8.380 nan 0.000 0.423 266 T N -1.650 112.928 114.554 0.040 0.000 3.194 266 T HA 0.070 4.420 4.350 -0.000 0.000 0.251 266 T C 1.405 176.121 174.700 0.027 0.000 1.132 266 T CA 0.130 62.267 62.100 0.063 0.000 1.028 266 T CB 0.103 69.055 68.868 0.141 0.000 0.976 266 T HN 0.032 nan 8.240 nan 0.000 0.535 267 M N 0.654 120.241 119.600 -0.022 0.000 2.466 267 M HA 0.391 4.871 4.480 -0.000 0.000 0.265 267 M C 2.153 178.430 176.300 -0.039 0.000 1.122 267 M CA 1.041 56.306 55.300 -0.057 0.000 1.157 267 M CB 0.112 32.634 32.600 -0.130 0.000 1.352 267 M HN 0.062 nan 8.290 nan 0.000 0.464 268 R N -0.553 119.930 120.500 -0.029 0.000 2.297 268 R HA 0.296 4.636 4.340 -0.000 0.000 0.197 268 R C 0.878 177.176 176.300 -0.003 0.000 0.943 268 R CA 0.711 56.800 56.100 -0.019 0.000 1.038 268 R CB 0.096 30.384 30.300 -0.019 0.000 0.957 268 R HN 0.597 nan 8.270 nan 0.000 0.484 269 G N 1.132 109.937 108.800 0.007 0.000 2.148 269 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.203 269 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.203 269 G C 0.119 175.033 174.900 0.023 0.000 0.993 269 G CA -0.535 44.576 45.100 0.018 0.000 0.661 269 G HN 0.208 nan 8.290 nan 0.000 0.518 270 I N 1.918 122.501 120.570 0.022 0.000 2.256 270 I HA 0.383 4.553 4.170 -0.000 0.000 0.294 270 I C 0.821 176.961 176.117 0.039 0.000 1.127 270 I CA -0.762 60.554 61.300 0.025 0.000 1.247 270 I CB 0.599 38.609 38.000 0.017 0.000 1.460 270 I HN 0.100 nan 8.210 nan 0.000 0.511 271 V N 4.667 124.609 119.914 0.046 0.000 3.814 271 V HA -0.240 3.880 4.120 -0.000 0.000 0.480 271 V C 0.182 176.322 176.094 0.076 0.000 0.682 271 V CA 0.420 62.756 62.300 0.060 0.000 1.959 271 V CB -1.502 30.355 31.823 0.056 0.000 2.372 271 V HN 0.756 nan 8.190 nan 0.000 0.501 272 K N 3.980 124.430 120.400 0.082 0.000 2.368 272 K HA 0.692 5.012 4.320 -0.000 0.000 0.282 272 K C -0.168 176.500 176.600 0.114 0.000 1.035 272 K CA -0.117 56.232 56.287 0.104 0.000 0.973 272 K CB 1.332 33.888 32.500 0.093 0.000 0.957 272 K HN 0.530 nan 8.250 nan 0.000 0.474 273 V N 0.633 120.639 119.914 0.153 0.000 3.159 273 V HA 0.871 4.991 4.120 -0.000 0.000 0.308 273 V C -1.142 174.977 176.094 0.040 0.000 1.190 273 V CA -1.058 61.305 62.300 0.105 0.000 1.037 273 V CB 2.245 34.133 31.823 0.110 0.000 1.060 273 V HN 0.822 nan 8.190 nan 0.000 0.437 274 A N 1.284 123.973 122.820 -0.218 0.000 2.594 274 A HA 1.040 5.360 4.320 -0.000 0.000 0.295 274 A C -0.922 176.366 177.584 -0.493 0.000 1.071 274 A CA -0.048 51.503 52.037 -0.811 0.000 0.685 274 A CB 1.956 20.593 19.000 -0.606 0.000 1.285 274 A HN 1.971 nan 8.150 nan 0.000 0.405 275 A N 0.118 122.588 122.820 -0.583 0.000 2.498 275 A HA 0.933 5.253 4.320 -0.000 0.000 0.298 275 A C -0.678 176.859 177.584 -0.080 0.000 1.075 275 A CA -0.090 51.835 52.037 -0.186 0.000 0.714 275 A CB 1.568 20.534 19.000 -0.056 0.000 1.299 275 A HN 2.368 nan 8.150 nan 0.000 0.407 276 V N -1.419 118.508 119.914 0.020 0.000 3.048 276 V HA 0.555 4.675 4.120 -0.000 0.000 0.303 276 V C -0.609 175.542 176.094 0.094 0.000 1.214 276 V CA -1.335 61.016 62.300 0.085 0.000 0.984 276 V CB 1.323 33.225 31.823 0.132 0.000 1.054 276 V HN 0.911 nan 8.190 nan 0.000 0.430 277 K N 2.201 122.657 120.400 0.093 0.000 2.469 277 K HA 0.506 4.826 4.320 -0.000 0.000 0.274 277 K C 0.800 177.419 176.600 0.031 0.000 0.983 277 K CA 0.522 56.846 56.287 0.063 0.000 0.974 277 K CB 0.767 33.306 32.500 0.064 0.000 0.913 277 K HN 1.148 nan 8.250 nan 0.000 0.493 278 A N 4.255 127.062 122.820 -0.023 0.000 2.364 278 A HA 0.177 4.497 4.320 -0.000 0.000 0.258 278 A C -2.021 175.461 177.584 -0.168 0.000 1.131 278 A CA -0.733 51.228 52.037 -0.127 0.000 0.800 278 A CB -0.497 18.448 19.000 -0.092 0.000 1.086 278 A HN 0.547 nan 8.150 nan 0.000 0.508 279 P HA 0.405 nan 4.420 nan 0.000 0.284 279 P C 0.694 177.958 177.300 -0.059 0.000 1.253 279 P CA 1.095 64.055 63.100 -0.233 0.000 0.800 279 P CB 0.878 32.339 31.700 -0.399 0.000 0.961 280 G N 2.823 111.649 108.800 0.044 0.000 2.581 280 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.291 280 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.291 280 G C -0.504 174.557 174.900 0.268 0.000 1.277 280 G CA 0.750 45.945 45.100 0.158 0.000 0.959 280 G HN 0.771 nan 8.290 nan 0.000 0.554 281 F N -3.450 116.499 119.950 -0.002 0.000 2.831 281 F HA 0.726 5.253 4.527 -0.000 0.000 0.318 281 F C 0.914 176.720 175.800 0.010 0.000 1.174 281 F CA 0.377 58.378 58.000 0.003 0.000 0.918 281 F CB 0.702 39.710 39.000 0.013 0.000 1.364 281 F HN 2.450 nan 8.300 nan 0.000 0.475 282 G N 0.963 109.777 108.800 0.023 0.000 2.527 282 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.268 282 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.268 282 G C 0.136 174.980 174.900 -0.094 0.000 1.175 282 G CA 0.484 45.527 45.100 -0.094 0.000 0.962 282 G HN 0.912 nan 8.290 nan 0.000 0.560 283 D N 0.946 121.273 120.400 -0.121 0.000 2.249 283 D HA -0.014 4.626 4.640 -0.000 0.000 0.205 283 D C 2.535 178.776 176.300 -0.097 0.000 0.962 283 D CA 1.188 55.139 54.000 -0.081 0.000 0.860 283 D CB -0.016 40.748 40.800 -0.060 0.000 0.955 283 D HN 0.630 nan 8.370 nan 0.000 0.505 284 R N 1.134 121.545 120.500 -0.148 0.000 2.276 284 R HA 0.064 4.404 4.340 -0.000 0.000 0.203 284 R C 2.093 178.321 176.300 -0.119 0.000 1.017 284 R CA 0.357 56.375 56.100 -0.135 0.000 1.010 284 R CB -0.235 29.963 30.300 -0.169 0.000 0.900 284 R HN 0.005 nan 8.270 nan 0.000 0.469 285 R N 2.117 122.549 120.500 -0.114 0.000 2.066 285 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 285 R C 1.232 177.491 176.300 -0.068 0.000 1.131 285 R CA 1.531 57.585 56.100 -0.077 0.000 0.955 285 R CB -0.048 30.234 30.300 -0.030 0.000 0.851 285 R HN 0.224 nan 8.270 nan 0.000 0.432 286 K N -0.088 120.279 120.400 -0.055 0.000 2.442 286 K HA -0.023 4.297 4.320 -0.000 0.000 0.198 286 K C 1.698 178.269 176.600 -0.048 0.000 1.042 286 K CA 0.916 57.176 56.287 -0.044 0.000 0.958 286 K CB 0.171 32.652 32.500 -0.032 0.000 0.766 286 K HN 0.271 nan 8.250 nan 0.000 0.474 287 A N 0.920 123.705 122.820 -0.059 0.000 1.909 287 A HA 0.062 4.382 4.320 -0.000 0.000 0.209 287 A C 2.046 179.592 177.584 -0.062 0.000 1.247 287 A CA 0.256 52.260 52.037 -0.055 0.000 0.660 287 A CB -0.215 18.751 19.000 -0.057 0.000 0.910 287 A HN 0.048 nan 8.150 nan 0.000 0.465 288 M N -0.360 119.193 119.600 -0.078 0.000 2.082 288 M HA -0.183 4.297 4.480 -0.000 0.000 0.258 288 M C 2.252 178.491 176.300 -0.101 0.000 1.069 288 M CA 1.850 57.096 55.300 -0.090 0.000 1.102 288 M CB -0.493 32.038 32.600 -0.114 0.000 1.336 288 M HN 0.534 nan 8.290 nan 0.000 0.404 289 L N 0.183 121.339 121.223 -0.110 0.000 2.127 289 L HA -0.279 4.061 4.340 -0.000 0.000 0.211 289 L C 2.490 179.322 176.870 -0.064 0.000 1.089 289 L CA 1.558 56.333 54.840 -0.107 0.000 0.757 289 L CB -0.260 41.744 42.059 -0.091 0.000 0.899 289 L HN 0.314 nan 8.230 nan 0.000 0.434 290 Q N 0.059 119.829 119.800 -0.050 0.000 2.167 290 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 290 Q C 1.668 177.654 176.000 -0.024 0.000 0.970 290 Q CA 1.998 57.783 55.803 -0.031 0.000 0.855 290 Q CB -0.182 28.539 28.738 -0.028 0.000 0.911 290 Q HN 0.543 nan 8.270 nan 0.000 0.438 291 D N 0.187 120.570 120.400 -0.029 0.000 2.084 291 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 291 D C 1.900 178.197 176.300 -0.004 0.000 0.990 291 D CA 1.446 55.437 54.000 -0.016 0.000 0.826 291 D CB -0.300 40.489 40.800 -0.018 0.000 0.971 291 D HN 0.359 nan 8.370 nan 0.000 0.453 292 I N 1.338 121.903 120.570 -0.009 0.000 2.300 292 I HA -0.323 3.847 4.170 -0.000 0.000 0.252 292 I C 2.441 178.570 176.117 0.020 0.000 1.119 292 I CA 1.076 62.386 61.300 0.016 0.000 1.384 292 I CB -0.211 37.787 38.000 -0.002 0.000 1.062 292 I HN -0.055 nan 8.210 nan 0.000 0.426 293 A N 0.446 123.270 122.820 0.006 0.000 1.841 293 A HA -0.183 4.137 4.320 -0.000 0.000 0.214 293 A C 2.378 179.971 177.584 0.015 0.000 1.195 293 A CA 2.339 54.383 52.037 0.013 0.000 0.611 293 A CB -1.111 17.892 19.000 0.004 0.000 0.835 293 A HN 0.365 nan 8.150 nan 0.000 0.443 294 T N 0.754 115.313 114.554 0.009 0.000 2.720 294 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 294 T C 1.828 176.536 174.700 0.013 0.000 1.037 294 T CA 1.310 63.415 62.100 0.009 0.000 1.144 294 T CB -0.364 68.506 68.868 0.003 0.000 0.864 294 T HN 0.296 nan 8.240 nan 0.000 0.444 295 L N 2.157 123.389 121.223 0.016 0.000 2.131 295 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 295 L C 1.836 178.721 176.870 0.024 0.000 1.092 295 L CA 2.172 57.024 54.840 0.020 0.000 0.759 295 L CB -1.246 40.830 42.059 0.028 0.000 0.903 295 L HN 0.462 nan 8.230 nan 0.000 0.435 296 T N -3.789 110.783 114.554 0.029 0.000 3.248 296 T HA 0.365 4.715 4.350 -0.000 0.000 0.271 296 T C 1.035 175.757 174.700 0.037 0.000 1.005 296 T CA 0.125 62.245 62.100 0.033 0.000 0.902 296 T CB -0.324 68.570 68.868 0.044 0.000 1.102 296 T HN 0.516 nan 8.240 nan 0.000 0.548 297 G N 0.215 109.033 108.800 0.030 0.000 2.386 297 G HA2 0.139 4.099 3.960 -0.000 0.000 0.295 297 G HA3 0.139 4.099 3.960 -0.000 0.000 0.295 297 G C 0.383 175.309 174.900 0.042 0.000 0.979 297 G CA 0.012 45.131 45.100 0.032 0.000 1.193 297 G HN 1.138 nan 8.290 nan 0.000 0.508 298 G N -1.537 107.285 108.800 0.037 0.000 3.135 298 G HA2 0.923 4.883 3.960 -0.000 0.000 0.278 298 G HA3 0.923 4.883 3.960 -0.000 0.000 0.278 298 G C -0.666 174.248 174.900 0.023 0.000 1.302 298 G CA 0.300 45.423 45.100 0.038 0.000 0.880 298 G HN 0.836 nan 8.290 nan 0.000 0.574 299 T N -0.449 114.116 114.554 0.019 0.000 2.916 299 T HA 0.519 4.869 4.350 -0.000 0.000 0.305 299 T C -0.627 174.077 174.700 0.006 0.000 1.119 299 T CA -0.366 61.739 62.100 0.009 0.000 1.008 299 T CB 1.962 70.833 68.868 0.006 0.000 1.129 299 T HN 0.424 nan 8.240 nan 0.000 0.480 300 V N 2.861 122.775 119.914 0.000 0.000 2.583 300 V HA 0.383 4.503 4.120 -0.000 0.000 0.287 300 V C 0.021 176.113 176.094 -0.003 0.000 1.051 300 V CA -0.432 61.865 62.300 -0.004 0.000 1.010 300 V CB 0.673 32.491 31.823 -0.010 0.000 0.988 300 V HN 0.724 nan 8.190 nan 0.000 0.478 301 I N 5.023 125.591 120.570 -0.003 0.000 2.412 301 I HA 0.324 4.494 4.170 -0.000 0.000 0.279 301 I C 0.305 176.421 176.117 -0.002 0.000 1.063 301 I CA 0.061 61.360 61.300 -0.002 0.000 1.193 301 I CB 0.901 38.900 38.000 -0.001 0.000 1.370 301 I HN 0.724 nan 8.210 nan 0.000 0.479 302 S N 2.677 118.375 115.700 -0.003 0.000 2.621 302 S HA 0.452 4.922 4.470 -0.000 0.000 0.302 302 S C 0.462 175.062 174.600 -0.000 0.000 1.093 302 S CA -0.822 57.377 58.200 -0.002 0.000 1.017 302 S CB 2.160 65.358 63.200 -0.004 0.000 1.077 302 S HN 0.551 nan 8.310 nan 0.000 0.517 303 E N 0.363 120.564 120.200 0.001 0.000 2.442 303 E HA -0.019 4.331 4.350 -0.000 0.000 0.195 303 E C 1.079 177.680 176.600 0.001 0.000 1.030 303 E CA 0.326 56.727 56.400 0.002 0.000 0.869 303 E CB -0.022 29.680 29.700 0.004 0.000 0.857 303 E HN 0.749 nan 8.360 nan 0.000 0.505 304 E N 0.448 120.648 120.200 0.001 0.000 2.338 304 E HA -0.093 4.257 4.350 -0.000 0.000 0.197 304 E C 1.421 178.020 176.600 -0.001 0.000 1.007 304 E CA 0.687 57.087 56.400 0.000 0.000 0.849 304 E CB 0.153 29.852 29.700 -0.001 0.000 0.774 304 E HN 0.342 nan 8.360 nan 0.000 0.506 305 I N -0.934 119.636 120.570 -0.001 0.000 4.154 305 I HA 0.191 4.361 4.170 -0.000 0.000 0.334 305 I C 0.883 177.000 176.117 -0.001 0.000 1.371 305 I CA 0.034 61.333 61.300 -0.001 0.000 1.110 305 I CB 0.987 38.986 38.000 -0.002 0.000 1.085 305 I HN 0.096 nan 8.210 nan 0.000 0.398 306 G N 2.161 110.961 108.800 -0.000 0.000 2.165 306 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.226 306 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.226 306 G C -0.011 174.889 174.900 -0.001 0.000 1.035 306 G CA -0.340 44.760 45.100 -0.000 0.000 0.744 306 G HN 0.238 nan 8.290 nan 0.000 0.501 307 M N 0.302 119.901 119.600 -0.001 0.000 2.300 307 M HA 0.516 4.996 4.480 -0.000 0.000 0.348 307 M C 0.219 176.519 176.300 -0.001 0.000 1.151 307 M CA -0.202 55.097 55.300 -0.002 0.000 1.046 307 M CB 1.444 34.043 32.600 -0.002 0.000 1.647 307 M HN 0.221 nan 8.290 nan 0.000 0.451 308 E N 2.083 122.282 120.200 -0.002 0.000 2.227 308 E HA 0.324 4.674 4.350 -0.000 0.000 0.268 308 E C 0.205 176.803 176.600 -0.003 0.000 0.907 308 E CA -0.554 55.845 56.400 -0.001 0.000 0.786 308 E CB 2.220 31.919 29.700 -0.001 0.000 1.191 308 E HN 0.683 nan 8.360 nan 0.000 0.411 309 L N 1.634 122.856 121.223 -0.002 0.000 2.456 309 L HA -0.141 4.199 4.340 -0.000 0.000 0.224 309 L C 1.424 178.289 176.870 -0.008 0.000 1.148 309 L CA 0.889 55.727 54.840 -0.004 0.000 0.825 309 L CB -0.198 41.861 42.059 0.001 0.000 0.937 309 L HN 0.519 nan 8.230 nan 0.000 0.450 310 E N 0.341 120.537 120.200 -0.006 0.000 2.170 310 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 310 E C 0.639 177.232 176.600 -0.012 0.000 0.981 310 E CA 0.791 57.186 56.400 -0.008 0.000 0.830 310 E CB 0.131 29.828 29.700 -0.005 0.000 0.775 310 E HN 0.258 nan 8.360 nan 0.000 0.470 311 K N 0.729 121.122 120.400 -0.011 0.000 2.765 311 K HA 0.523 4.843 4.320 -0.000 0.000 0.246 311 K C -0.918 175.673 176.600 -0.015 0.000 1.254 311 K CA -0.236 56.044 56.287 -0.012 0.000 1.219 311 K CB 0.959 33.454 32.500 -0.008 0.000 1.747 311 K HN -0.054 nan 8.250 nan 0.000 0.372 312 A N 1.115 123.922 122.820 -0.022 0.000 2.442 312 A HA 0.352 4.672 4.320 -0.000 0.000 0.284 312 A C 0.224 177.782 177.584 -0.043 0.000 1.058 312 A CA -0.759 51.262 52.037 -0.027 0.000 0.738 312 A CB 0.733 19.718 19.000 -0.025 0.000 1.242 312 A HN 0.374 nan 8.150 nan 0.000 0.421 313 T N 0.074 114.600 114.554 -0.046 0.000 3.018 313 T HA 0.475 4.825 4.350 -0.000 0.000 0.338 313 T C 1.082 175.720 174.700 -0.105 0.000 1.208 313 T CA -0.154 61.907 62.100 -0.065 0.000 0.963 313 T CB 0.031 68.871 68.868 -0.046 0.000 1.697 313 T HN 0.381 nan 8.240 nan 0.000 0.560 314 L N -0.011 121.132 121.223 -0.133 0.000 2.567 314 L HA 0.266 4.606 4.340 -0.000 0.000 0.225 314 L C 2.761 179.572 176.870 -0.098 0.000 1.119 314 L CA 0.502 55.204 54.840 -0.230 0.000 0.871 314 L CB -0.363 41.510 42.059 -0.310 0.000 1.036 314 L HN 0.794 nan 8.230 nan 0.000 0.459 315 E N 0.525 120.702 120.200 -0.038 0.000 2.122 315 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 315 E C 0.960 177.571 176.600 0.017 0.000 0.977 315 E CA 0.745 57.151 56.400 0.010 0.000 0.820 315 E CB 0.334 30.038 29.700 0.006 0.000 0.770 315 E HN 0.392 nan 8.360 nan 0.000 0.462 316 D N 0.384 120.783 120.400 -0.003 0.000 2.363 316 D HA -0.006 4.634 4.640 -0.000 0.000 0.226 316 D C -0.197 176.113 176.300 0.017 0.000 1.020 316 D CA 0.316 54.319 54.000 0.005 0.000 0.892 316 D CB 0.232 41.028 40.800 -0.007 0.000 0.900 316 D HN 0.116 nan 8.370 nan 0.000 0.531 317 L N 0.342 121.581 121.223 0.027 0.000 2.357 317 L HA 0.393 4.733 4.340 -0.000 0.000 0.273 317 L C 1.293 178.244 176.870 0.136 0.000 1.080 317 L CA -0.506 54.375 54.840 0.069 0.000 0.803 317 L CB 1.397 43.480 42.059 0.040 0.000 1.174 317 L HN -0.175 nan 8.230 nan 0.000 0.443 318 G N 1.081 109.958 108.800 0.128 0.000 2.572 318 G HA2 0.482 4.442 3.960 -0.000 0.000 0.261 318 G HA3 0.482 4.442 3.960 -0.000 0.000 0.261 318 G C -0.995 173.993 174.900 0.147 0.000 1.197 318 G CA -0.170 44.998 45.100 0.113 0.000 0.870 318 G HN 0.599 nan 8.290 nan 0.000 0.548 319 Q N -0.975 118.869 119.800 0.074 0.000 2.378 319 Q HA 0.552 4.892 4.340 -0.000 0.000 0.262 319 Q C -1.116 174.866 176.000 -0.030 0.000 0.978 319 Q CA -0.718 55.084 55.803 -0.002 0.000 0.918 319 Q CB 1.819 30.535 28.738 -0.036 0.000 1.415 319 Q HN 0.971 nan 8.270 nan 0.000 0.409 320 A N 2.585 125.369 122.820 -0.060 0.000 2.524 320 A HA 0.600 4.920 4.320 -0.000 0.000 0.286 320 A C -0.817 176.724 177.584 -0.071 0.000 1.203 320 A CA -0.646 51.363 52.037 -0.047 0.000 0.736 320 A CB 1.596 20.583 19.000 -0.022 0.000 1.322 320 A HN 0.756 nan 8.150 nan 0.000 0.424 321 K N -0.516 119.853 120.400 -0.052 0.000 2.410 321 K HA 0.310 4.630 4.320 -0.000 0.000 0.200 321 K C -0.028 176.545 176.600 -0.045 0.000 1.023 321 K CA 0.338 56.592 56.287 -0.054 0.000 1.149 321 K CB 0.347 32.823 32.500 -0.041 0.000 0.859 321 K HN 0.514 nan 8.250 nan 0.000 0.514 322 R N -0.004 120.472 120.500 -0.041 0.000 4.584 322 R HA 0.038 4.377 4.340 -0.000 0.000 0.251 322 R C -2.176 174.106 176.300 -0.030 0.000 0.957 322 R CA -0.478 55.602 56.100 -0.032 0.000 1.195 322 R CB 0.747 31.031 30.300 -0.027 0.000 1.233 322 R HN -0.012 nan 8.270 nan 0.000 0.630 323 V N 0.263 120.160 119.914 -0.028 0.000 2.932 323 V HA 0.892 5.012 4.120 -0.000 0.000 0.307 323 V C -1.227 174.847 176.094 -0.034 0.000 1.147 323 V CA -0.715 61.563 62.300 -0.036 0.000 0.951 323 V CB 2.207 34.012 31.823 -0.031 0.000 1.031 323 V HN 0.425 nan 8.190 nan 0.000 0.426 324 V N 4.526 124.409 119.914 -0.052 0.000 2.914 324 V HA 0.704 4.824 4.120 -0.000 0.000 0.314 324 V C -0.389 175.667 176.094 -0.063 0.000 1.084 324 V CA -0.502 61.775 62.300 -0.038 0.000 0.963 324 V CB 1.988 33.790 31.823 -0.034 0.000 1.025 324 V HN 1.085 nan 8.190 nan 0.000 0.432 325 I N 0.147 120.703 120.570 -0.023 0.000 2.563 325 I HA 0.507 4.676 4.170 -0.000 0.000 0.281 325 I C -0.144 175.968 176.117 -0.008 0.000 1.110 325 I CA -0.584 60.692 61.300 -0.040 0.000 1.073 325 I CB 1.212 39.206 38.000 -0.009 0.000 1.215 325 I HN 0.434 nan 8.210 nan 0.000 0.460 326 N N 4.620 123.268 118.700 -0.088 0.000 2.255 326 N HA 0.016 4.755 4.740 -0.000 0.000 0.260 326 N C 1.042 176.289 175.510 -0.439 0.000 1.288 326 N CA -0.075 52.902 53.050 -0.123 0.000 0.894 326 N CB 0.738 39.164 38.487 -0.102 0.000 1.033 326 N HN 0.681 nan 8.380 nan 0.000 0.477 327 K N 0.365 120.493 120.400 -0.452 0.000 2.148 327 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 327 K C -0.314 175.913 176.600 -0.622 0.000 1.050 327 K CA 1.806 57.627 56.287 -0.778 0.000 0.942 327 K CB 0.004 32.353 32.500 -0.251 0.000 0.724 327 K HN 0.610 nan 8.250 nan 0.000 0.446 328 D N -1.129 119.075 120.400 -0.327 0.000 2.822 328 D HA 0.101 4.741 4.640 -0.000 0.000 0.327 328 D C -1.133 175.092 176.300 -0.125 0.000 1.577 328 D CA -0.483 53.404 54.000 -0.188 0.000 0.785 328 D CB 0.869 41.606 40.800 -0.105 0.000 1.199 328 D HN -0.157 nan 8.370 nan 0.000 0.443 329 T N -0.119 114.339 114.554 -0.161 0.000 3.293 329 T HA 0.465 4.815 4.350 -0.000 0.000 0.320 329 T C -0.425 174.149 174.700 -0.210 0.000 0.995 329 T CA -0.453 61.558 62.100 -0.148 0.000 1.041 329 T CB 1.945 70.746 68.868 -0.111 0.000 1.058 329 T HN -0.054 nan 8.240 nan 0.000 0.453 330 T N 1.736 116.080 114.554 -0.350 0.000 2.884 330 T HA 0.822 5.172 4.350 -0.000 0.000 0.277 330 T C -0.062 174.326 174.700 -0.520 0.000 0.976 330 T CA -0.569 61.237 62.100 -0.491 0.000 0.956 330 T CB 1.481 69.834 68.868 -0.859 0.000 1.113 330 T HN 0.722 nan 8.240 nan 0.000 0.554 331 T N 0.861 115.147 114.554 -0.446 0.000 4.349 331 T HA 0.309 4.658 4.350 -0.000 0.000 0.404 331 T C -1.598 172.998 174.700 -0.173 0.000 0.993 331 T CA -0.599 61.326 62.100 -0.292 0.000 1.025 331 T CB -0.205 68.552 68.868 -0.184 0.000 1.219 331 T HN 0.453 nan 8.240 nan 0.000 0.451 332 I N 5.774 126.273 120.570 -0.118 0.000 2.353 332 I HA 0.514 4.684 4.170 -0.000 0.000 0.293 332 I C 0.018 176.117 176.117 -0.030 0.000 0.992 332 I CA -0.950 60.325 61.300 -0.042 0.000 1.268 332 I CB 1.427 39.440 38.000 0.022 0.000 1.387 332 I HN 0.565 nan 8.210 nan 0.000 0.478 333 I N 5.443 125.997 120.570 -0.027 0.000 2.389 333 I HA 0.214 4.384 4.170 -0.000 0.000 0.288 333 I C -0.671 175.435 176.117 -0.019 0.000 0.999 333 I CA -0.514 60.771 61.300 -0.024 0.000 1.129 333 I CB 1.393 39.376 38.000 -0.028 0.000 1.288 333 I HN 0.612 nan 8.210 nan 0.000 0.444 334 D N 4.684 125.076 120.400 -0.014 0.000 4.867 334 D HA -0.116 4.524 4.640 -0.000 0.000 0.238 334 D C -0.214 176.078 176.300 -0.012 0.000 1.114 334 D CA 1.186 55.178 54.000 -0.012 0.000 1.283 334 D CB 0.173 40.963 40.800 -0.017 0.000 0.739 334 D HN 0.813 nan 8.370 nan 0.000 0.371 335 G N 1.616 110.414 108.800 -0.004 0.000 2.454 335 G HA2 0.505 4.465 3.960 -0.000 0.000 0.329 335 G HA3 0.505 4.465 3.960 -0.000 0.000 0.329 335 G C 1.177 176.076 174.900 -0.002 0.000 1.177 335 G CA -0.416 44.684 45.100 -0.001 0.000 0.951 335 G HN 0.456 nan 8.290 nan 0.000 0.485 336 V N 1.185 121.098 119.914 -0.000 0.000 2.720 336 V HA -0.004 4.116 4.120 -0.000 0.000 0.256 336 V C 2.164 178.263 176.094 0.008 0.000 1.082 336 V CA 1.095 63.397 62.300 0.002 0.000 1.101 336 V CB -1.267 30.561 31.823 0.008 0.000 0.693 336 V HN 0.842 nan 8.190 nan 0.000 0.479 337 G N 1.204 110.011 108.800 0.011 0.000 2.187 337 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.239 337 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.239 337 G C -0.068 174.837 174.900 0.008 0.000 1.200 337 G CA -0.098 45.009 45.100 0.011 0.000 0.888 337 G HN 0.579 nan 8.290 nan 0.000 0.482 338 E N 1.832 122.036 120.200 0.007 0.000 2.354 338 E HA 0.064 4.414 4.350 -0.000 0.000 0.269 338 E C 0.665 177.268 176.600 0.004 0.000 1.036 338 E CA -0.223 56.180 56.400 0.005 0.000 0.876 338 E CB 1.333 31.037 29.700 0.006 0.000 1.009 338 E HN 0.653 nan 8.360 nan 0.000 0.416 339 E N 1.370 121.571 120.200 0.002 0.000 2.527 339 E HA -0.163 4.187 4.350 -0.000 0.000 0.204 339 E C 0.960 177.561 176.600 0.001 0.000 1.132 339 E CA 0.212 56.613 56.400 0.001 0.000 0.905 339 E CB -0.004 29.696 29.700 0.000 0.000 0.875 339 E HN 0.500 nan 8.360 nan 0.000 0.548 340 A N 1.181 124.002 122.820 0.002 0.000 1.884 340 A HA 0.232 4.552 4.320 -0.000 0.000 0.212 340 A C 2.288 179.873 177.584 0.001 0.000 1.265 340 A CA 0.741 52.779 52.037 0.001 0.000 0.626 340 A CB -0.404 18.597 19.000 0.002 0.000 0.943 340 A HN 0.280 nan 8.150 nan 0.000 0.466 341 A N -0.493 122.328 122.820 0.002 0.000 2.121 341 A HA 0.116 4.436 4.320 -0.000 0.000 0.218 341 A C 1.952 179.537 177.584 0.001 0.000 1.154 341 A CA 1.149 53.187 52.037 0.002 0.000 0.679 341 A CB -0.554 18.448 19.000 0.003 0.000 0.795 341 A HN 0.492 nan 8.150 nan 0.000 0.458 342 I N -1.628 118.943 120.570 0.002 0.000 2.339 342 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 342 I C 2.543 178.659 176.117 -0.001 0.000 1.096 342 I CA 1.164 62.465 61.300 0.001 0.000 1.408 342 I CB -0.159 37.843 38.000 0.003 0.000 1.092 342 I HN 0.294 nan 8.210 nan 0.000 0.423 343 Q N 1.259 121.059 119.800 -0.001 0.000 2.364 343 Q HA -0.071 4.269 4.340 -0.000 0.000 0.207 343 Q C 1.867 177.865 176.000 -0.003 0.000 0.970 343 Q CA 1.566 57.368 55.803 -0.002 0.000 0.888 343 Q CB -0.302 28.435 28.738 -0.002 0.000 0.951 343 Q HN 0.472 nan 8.270 nan 0.000 0.469 344 G N -0.570 108.229 108.800 -0.002 0.000 2.459 344 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.213 344 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.213 344 G C 1.520 176.417 174.900 -0.005 0.000 1.155 344 G CA 0.402 45.500 45.100 -0.003 0.000 0.811 344 G HN 0.281 nan 8.290 nan 0.000 0.534 345 R N 0.521 121.019 120.500 -0.005 0.000 2.115 345 R HA 0.035 4.375 4.340 -0.000 0.000 0.230 345 R C 2.360 178.655 176.300 -0.008 0.000 1.111 345 R CA 1.226 57.322 56.100 -0.007 0.000 0.976 345 R CB -0.704 29.592 30.300 -0.006 0.000 0.870 345 R HN 0.206 nan 8.270 nan 0.000 0.445 346 V N 0.563 120.473 119.914 -0.007 0.000 2.427 346 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 346 V C 2.317 178.406 176.094 -0.009 0.000 1.051 346 V CA 1.760 64.055 62.300 -0.008 0.000 1.048 346 V CB -0.832 30.987 31.823 -0.006 0.000 0.666 346 V HN 0.509 nan 8.190 nan 0.000 0.456 347 A N -0.721 122.094 122.820 -0.007 0.000 1.933 347 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 347 A C 2.191 179.769 177.584 -0.009 0.000 1.175 347 A CA 1.757 53.789 52.037 -0.007 0.000 0.628 347 A CB -0.413 18.584 19.000 -0.006 0.000 0.814 347 A HN 0.619 nan 8.150 nan 0.000 0.444 348 Q N -0.616 119.178 119.800 -0.009 0.000 2.119 348 Q HA -0.047 4.293 4.340 -0.000 0.000 0.201 348 Q C 1.918 177.910 176.000 -0.014 0.000 0.972 348 Q CA 1.457 57.253 55.803 -0.011 0.000 0.847 348 Q CB -0.241 28.490 28.738 -0.011 0.000 0.903 348 Q HN 0.754 nan 8.270 nan 0.000 0.433 349 I N -0.138 120.422 120.570 -0.015 0.000 2.617 349 I HA -0.155 4.015 4.170 -0.000 0.000 0.256 349 I C 2.371 178.477 176.117 -0.018 0.000 1.167 349 I CA 0.512 61.801 61.300 -0.019 0.000 1.469 349 I CB -0.109 37.878 38.000 -0.021 0.000 1.098 349 I HN 0.071 nan 8.210 nan 0.000 0.436 350 R N 0.895 121.386 120.500 -0.015 0.000 2.152 350 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 350 R C 2.200 178.492 176.300 -0.012 0.000 1.117 350 R CA 1.308 57.400 56.100 -0.013 0.000 0.981 350 R CB 0.022 30.316 30.300 -0.010 0.000 0.870 350 R HN 0.403 nan 8.270 nan 0.000 0.451 351 Q N -0.874 118.919 119.800 -0.012 0.000 2.250 351 Q HA -0.048 4.292 4.340 -0.000 0.000 0.200 351 Q C 1.740 177.732 176.000 -0.012 0.000 0.941 351 Q CA 0.487 56.284 55.803 -0.011 0.000 0.872 351 Q CB 0.409 29.142 28.738 -0.009 0.000 0.965 351 Q HN 0.371 nan 8.270 nan 0.000 0.480 352 Q N 0.398 120.188 119.800 -0.015 0.000 2.248 352 Q HA -0.164 4.176 4.340 -0.000 0.000 0.208 352 Q C 1.916 177.905 176.000 -0.018 0.000 0.984 352 Q CA 1.112 56.904 55.803 -0.018 0.000 0.875 352 Q CB -0.144 28.579 28.738 -0.024 0.000 0.910 352 Q HN 0.506 nan 8.270 nan 0.000 0.433 353 I N 0.735 121.295 120.570 -0.018 0.000 2.617 353 I HA -0.176 3.994 4.170 -0.000 0.000 0.256 353 I C 1.996 178.106 176.117 -0.012 0.000 1.167 353 I CA 0.622 61.912 61.300 -0.017 0.000 1.469 353 I CB -0.191 37.798 38.000 -0.018 0.000 1.098 353 I HN 0.074 nan 8.210 nan 0.000 0.436 354 E N 1.482 121.677 120.200 -0.010 0.000 2.072 354 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 354 E C 1.182 177.779 176.600 -0.005 0.000 0.982 354 E CA 1.024 57.420 56.400 -0.007 0.000 0.803 354 E CB -0.296 29.401 29.700 -0.006 0.000 0.755 354 E HN 0.581 nan 8.360 nan 0.000 0.453 355 E N 1.147 121.343 120.200 -0.006 0.000 2.301 355 E HA 0.252 4.601 4.350 -0.000 0.000 0.195 355 E C -0.235 176.363 176.600 -0.003 0.000 1.171 355 E CA -0.305 56.093 56.400 -0.004 0.000 1.142 355 E CB 0.222 29.919 29.700 -0.005 0.000 1.218 355 E HN 0.077 nan 8.360 nan 0.000 0.448 356 A N 1.251 124.069 122.820 -0.003 0.000 2.454 356 A HA 0.145 4.465 4.320 -0.000 0.000 0.260 356 A C 1.262 178.849 177.584 0.005 0.000 1.106 356 A CA -0.187 51.849 52.037 -0.001 0.000 0.780 356 A CB 0.142 19.140 19.000 -0.003 0.000 1.044 356 A HN 0.282 nan 8.150 nan 0.000 0.498 357 T N -0.878 113.682 114.554 0.009 0.000 3.001 357 T HA 0.359 4.709 4.350 -0.000 0.000 0.251 357 T C 0.660 175.372 174.700 0.020 0.000 1.040 357 T CA 0.596 62.703 62.100 0.013 0.000 0.985 357 T CB -0.043 68.832 68.868 0.012 0.000 1.011 357 T HN 0.773 nan 8.240 nan 0.000 0.509 358 S N -0.758 114.959 115.700 0.029 0.000 2.618 358 S HA 0.415 4.885 4.470 -0.000 0.000 0.277 358 S C -0.385 174.246 174.600 0.053 0.000 1.138 358 S CA -0.581 57.646 58.200 0.046 0.000 0.844 358 S CB 1.699 64.939 63.200 0.067 0.000 1.127 358 S HN 0.061 nan 8.310 nan 0.000 0.474 359 D N 0.594 121.035 120.400 0.067 0.000 2.183 359 D HA -0.026 4.614 4.640 -0.000 0.000 0.203 359 D C 1.202 177.560 176.300 0.096 0.000 0.969 359 D CA 1.123 55.163 54.000 0.066 0.000 0.842 359 D CB -0.125 40.714 40.800 0.065 0.000 0.957 359 D HN 0.578 nan 8.370 nan 0.000 0.484 360 Y N 2.155 122.452 120.300 -0.005 0.000 2.092 360 Y HA -0.191 4.359 4.550 -0.000 0.000 0.282 360 Y C 1.684 177.576 175.900 -0.014 0.000 1.126 360 Y CA 1.747 59.843 58.100 -0.007 0.000 1.111 360 Y CB -0.477 37.979 38.460 -0.007 0.000 0.987 360 Y HN -0.166 nan 8.280 nan 0.000 0.489 361 D N -0.430 120.017 120.400 0.079 0.000 2.220 361 D HA -0.242 4.398 4.640 -0.000 0.000 0.198 361 D C 2.229 178.482 176.300 -0.078 0.000 1.001 361 D CA 1.718 55.705 54.000 -0.022 0.000 0.875 361 D CB -0.200 40.616 40.800 0.027 0.000 0.921 361 D HN 0.291 nan 8.370 nan 0.000 0.454 362 R N 0.388 120.858 120.500 -0.050 0.000 2.064 362 R HA -0.120 4.220 4.340 -0.000 0.000 0.228 362 R C 1.972 178.219 176.300 -0.087 0.000 1.144 362 R CA 1.108 57.177 56.100 -0.051 0.000 0.932 362 R CB 0.068 30.356 30.300 -0.020 0.000 0.833 362 R HN 0.061 nan 8.270 nan 0.000 0.429 363 E N 1.163 121.300 120.200 -0.106 0.000 2.045 363 E HA -0.254 4.096 4.350 -0.000 0.000 0.212 363 E C 1.669 178.172 176.600 -0.162 0.000 1.039 363 E CA 1.425 57.749 56.400 -0.125 0.000 0.860 363 E CB -0.337 29.275 29.700 -0.146 0.000 0.776 363 E HN 0.216 nan 8.360 nan 0.000 0.467 364 K N 0.593 120.829 120.400 -0.273 0.000 2.589 364 K HA -0.062 4.258 4.320 -0.000 0.000 0.195 364 K C 2.044 178.554 176.600 -0.150 0.000 1.040 364 K CA 0.483 56.624 56.287 -0.244 0.000 0.950 364 K CB -0.257 32.025 32.500 -0.365 0.000 0.781 364 K HN 0.270 nan 8.250 nan 0.000 0.486 365 L N -0.636 120.517 121.223 -0.118 0.000 2.425 365 L HA 0.025 4.365 4.340 -0.000 0.000 0.215 365 L C 2.052 178.887 176.870 -0.058 0.000 1.065 365 L CA 0.253 55.046 54.840 -0.078 0.000 0.842 365 L CB -0.069 41.951 42.059 -0.065 0.000 1.033 365 L HN 0.097 nan 8.230 nan 0.000 0.474 366 Q N 0.091 119.857 119.800 -0.057 0.000 2.297 366 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 366 Q C 1.679 177.657 176.000 -0.036 0.000 0.962 366 Q CA 0.974 56.753 55.803 -0.040 0.000 0.879 366 Q CB 0.218 28.934 28.738 -0.035 0.000 0.947 366 Q HN 0.500 nan 8.270 nan 0.000 0.462 367 E N 0.522 120.693 120.200 -0.048 0.000 2.051 367 E HA -0.075 4.275 4.350 -0.000 0.000 0.189 367 E C 2.017 178.601 176.600 -0.027 0.000 0.979 367 E CA 0.296 56.674 56.400 -0.036 0.000 0.803 367 E CB 0.108 29.780 29.700 -0.047 0.000 0.761 367 E HN 0.179 nan 8.360 nan 0.000 0.451 368 R N 0.709 121.186 120.500 -0.039 0.000 2.105 368 R HA -0.149 4.191 4.340 -0.000 0.000 0.239 368 R C 2.564 178.853 176.300 -0.019 0.000 1.135 368 R CA 1.631 57.714 56.100 -0.030 0.000 0.967 368 R CB -0.373 29.901 30.300 -0.043 0.000 0.861 368 R HN 0.205 nan 8.270 nan 0.000 0.442 369 V N -2.466 117.436 119.914 -0.021 0.000 2.302 369 V HA -0.024 4.096 4.120 -0.000 0.000 0.243 369 V C 2.353 178.442 176.094 -0.009 0.000 1.036 369 V CA 1.446 63.737 62.300 -0.015 0.000 1.020 369 V CB -1.244 30.569 31.823 -0.017 0.000 0.657 369 V HN 0.211 nan 8.190 nan 0.000 0.453 370 A N 1.054 123.868 122.820 -0.010 0.000 1.869 370 A HA -0.324 3.996 4.320 -0.000 0.000 0.218 370 A C 2.321 179.904 177.584 -0.001 0.000 1.203 370 A CA 2.936 54.969 52.037 -0.007 0.000 0.638 370 A CB -0.931 18.064 19.000 -0.008 0.000 0.831 370 A HN 0.627 nan 8.150 nan 0.000 0.450 371 K N -1.379 119.024 120.400 0.005 0.000 2.218 371 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 371 K C 1.717 178.328 176.600 0.017 0.000 1.046 371 K CA 1.415 57.711 56.287 0.016 0.000 0.933 371 K CB -0.240 32.281 32.500 0.034 0.000 0.728 371 K HN 0.405 nan 8.250 nan 0.000 0.454 372 L N -0.765 120.464 121.223 0.011 0.000 2.477 372 L HA 0.119 4.459 4.340 -0.000 0.000 0.220 372 L C 1.702 178.574 176.870 0.004 0.000 1.106 372 L CA 0.770 55.616 54.840 0.010 0.000 0.851 372 L CB 0.250 42.312 42.059 0.005 0.000 0.994 372 L HN 0.027 nan 8.230 nan 0.000 0.462 373 A N -1.296 121.524 122.820 0.001 0.000 1.963 373 A HA 0.342 4.662 4.320 -0.000 0.000 0.207 373 A C 1.823 179.405 177.584 -0.002 0.000 1.243 373 A CA 0.522 52.557 52.037 -0.002 0.000 0.728 373 A CB -0.695 18.302 19.000 -0.004 0.000 0.895 373 A HN 0.320 nan 8.150 nan 0.000 0.467 374 G N 0.242 109.040 108.800 -0.003 0.000 3.474 374 G HA2 0.418 4.378 3.960 -0.000 0.000 0.269 374 G HA3 0.418 4.378 3.960 -0.000 0.000 0.269 374 G C 1.049 175.946 174.900 -0.005 0.000 1.339 374 G CA 0.623 45.720 45.100 -0.005 0.000 1.258 374 G HN 0.795 nan 8.290 nan 0.000 0.560 375 G N 0.188 108.986 108.800 -0.003 0.000 2.998 375 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.855 375 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.855 375 G C 0.142 175.037 174.900 -0.008 0.000 1.032 375 G CA 1.083 46.181 45.100 -0.003 0.000 0.804 375 G HN 0.963 nan 8.290 nan 0.000 0.970 376 V N -0.607 119.300 119.914 -0.012 0.000 2.971 376 V HA 0.705 4.825 4.120 -0.000 0.000 0.309 376 V C 0.374 176.457 176.094 -0.018 0.000 1.130 376 V CA -0.391 61.898 62.300 -0.018 0.000 0.964 376 V CB 1.677 33.487 31.823 -0.022 0.000 1.029 376 V HN 1.432 nan 8.190 nan 0.000 0.427 377 A N 2.668 125.475 122.820 -0.022 0.000 2.309 377 A HA 0.796 5.116 4.320 -0.000 0.000 0.298 377 A C -0.680 176.891 177.584 -0.021 0.000 1.165 377 A CA -0.432 51.593 52.037 -0.020 0.000 0.821 377 A CB 1.065 20.052 19.000 -0.022 0.000 1.102 377 A HN 0.797 nan 8.150 nan 0.000 0.500 378 V N 4.642 124.546 119.914 -0.017 0.000 2.409 378 V HA 0.309 4.429 4.120 -0.000 0.000 0.290 378 V C -0.529 175.558 176.094 -0.012 0.000 1.017 378 V CA -0.107 62.184 62.300 -0.015 0.000 0.841 378 V CB 1.222 33.036 31.823 -0.014 0.000 1.003 378 V HN 0.751 nan 8.190 nan 0.000 0.426 379 I N 5.562 126.125 120.570 -0.012 0.000 2.328 379 I HA 0.405 4.575 4.170 -0.000 0.000 0.287 379 I C 0.138 176.252 176.117 -0.006 0.000 1.012 379 I CA -0.533 60.762 61.300 -0.008 0.000 1.195 379 I CB 1.173 39.168 38.000 -0.008 0.000 1.350 379 I HN 0.440 nan 8.210 nan 0.000 0.464 380 K N 6.191 126.588 120.400 -0.005 0.000 2.266 380 K HA 0.365 4.685 4.320 -0.000 0.000 0.274 380 K C -0.290 176.309 176.600 -0.002 0.000 1.090 380 K CA -0.570 55.715 56.287 -0.003 0.000 0.925 380 K CB 1.218 33.716 32.500 -0.004 0.000 1.225 380 K HN 0.345 nan 8.250 nan 0.000 0.458 381 V N 2.449 122.363 119.914 0.000 0.000 3.083 381 V HA -0.133 3.987 4.120 -0.000 0.000 0.303 381 V C 1.675 177.769 176.094 0.001 0.000 1.151 381 V CA 0.494 62.795 62.300 0.001 0.000 1.275 381 V CB 0.115 31.940 31.823 0.003 0.000 0.950 381 V HN 0.953 nan 8.190 nan 0.000 0.506 382 G N 1.309 110.110 108.800 0.001 0.000 2.393 382 G HA2 0.500 4.460 3.960 -0.000 0.000 0.268 382 G HA3 0.500 4.460 3.960 -0.000 0.000 0.268 382 G C 0.131 175.031 174.900 0.001 0.000 1.472 382 G CA 0.498 45.598 45.100 0.001 0.000 1.059 382 G HN 1.391 nan 8.290 nan 0.000 0.555 383 A N -3.560 119.261 122.820 0.001 0.000 5.519 383 A HA 0.837 5.157 4.320 -0.000 0.000 0.158 383 A C 0.065 177.650 177.584 0.002 0.000 0.860 383 A CA 0.774 52.812 52.037 0.002 0.000 1.134 383 A CB -0.310 18.690 19.000 0.001 0.000 2.248 383 A HN 2.575 nan 8.150 nan 0.000 1.056 384 A N -0.607 122.214 122.820 0.001 0.000 3.033 384 A HA 0.577 4.897 4.320 -0.000 0.000 0.262 384 A C 1.023 178.608 177.584 0.002 0.000 1.301 384 A CA 1.172 53.210 52.037 0.001 0.000 0.727 384 A CB -2.615 16.386 19.000 0.001 0.000 1.094 384 A HN 3.573 nan 8.150 nan 0.000 0.374 385 T N -2.147 112.408 114.554 0.002 0.000 0.541 385 T HA -0.088 4.262 4.350 -0.000 0.000 0.774 385 T C 0.386 175.087 174.700 0.003 0.000 0.992 385 T CA 1.519 63.620 62.100 0.002 0.000 4.077 385 T CB -1.047 67.822 68.868 0.002 0.000 2.303 385 T HN 1.902 nan 8.240 nan 0.000 0.398 386 E N 1.003 121.205 120.200 0.003 0.000 2.085 386 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 386 E C 2.188 178.790 176.600 0.004 0.000 0.994 386 E CA 2.083 58.485 56.400 0.003 0.000 0.801 386 E CB -0.183 29.519 29.700 0.004 0.000 0.743 386 E HN 0.648 nan 8.360 nan 0.000 0.453 387 V N 1.357 121.273 119.914 0.004 0.000 2.332 387 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 387 V C 2.072 178.168 176.094 0.004 0.000 1.055 387 V CA 2.255 64.557 62.300 0.004 0.000 1.038 387 V CB -0.530 31.295 31.823 0.004 0.000 0.651 387 V HN 0.309 nan 8.190 nan 0.000 0.450 388 E N -0.784 119.418 120.200 0.004 0.000 2.158 388 E HA -0.138 4.211 4.350 -0.000 0.000 0.191 388 E C 2.191 178.794 176.600 0.004 0.000 0.982 388 E CA 0.878 57.280 56.400 0.004 0.000 0.823 388 E CB -0.195 29.506 29.700 0.003 0.000 0.766 388 E HN 0.422 nan 8.360 nan 0.000 0.468 389 M N 1.252 120.854 119.600 0.004 0.000 2.086 389 M HA -0.143 4.337 4.480 -0.000 0.000 0.261 389 M C 1.567 177.870 176.300 0.006 0.000 1.067 389 M CA 1.512 56.815 55.300 0.004 0.000 1.116 389 M CB -0.138 32.464 32.600 0.004 0.000 1.348 389 M HN -0.148 nan 8.290 nan 0.000 0.407 390 K N 0.138 120.541 120.400 0.006 0.000 2.439 390 K HA -0.110 4.210 4.320 -0.000 0.000 0.197 390 K C 1.740 178.345 176.600 0.008 0.000 1.041 390 K CA 0.767 57.058 56.287 0.007 0.000 0.970 390 K CB -0.198 32.306 32.500 0.008 0.000 0.773 390 K HN 0.595 nan 8.250 nan 0.000 0.479 391 E N 0.987 121.191 120.200 0.007 0.000 2.102 391 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 391 E C 1.880 178.485 176.600 0.008 0.000 0.971 391 E CA 0.473 56.877 56.400 0.007 0.000 0.821 391 E CB 0.276 29.979 29.700 0.006 0.000 0.777 391 E HN 0.079 nan 8.360 nan 0.000 0.460 392 K N 1.154 121.558 120.400 0.007 0.000 2.103 392 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 392 K C 2.236 178.842 176.600 0.010 0.000 1.052 392 K CA 1.167 57.459 56.287 0.008 0.000 0.945 392 K CB 0.016 32.520 32.500 0.006 0.000 0.722 392 K HN -0.086 nan 8.250 nan 0.000 0.443 393 K N 0.364 120.770 120.400 0.010 0.000 2.059 393 K HA -0.224 4.096 4.320 -0.000 0.000 0.212 393 K C 1.909 178.519 176.600 0.017 0.000 1.050 393 K CA 1.616 57.910 56.287 0.012 0.000 0.927 393 K CB -0.224 32.282 32.500 0.011 0.000 0.714 393 K HN 0.211 nan 8.250 nan 0.000 0.447 394 A N 1.458 124.288 122.820 0.016 0.000 1.845 394 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 394 A C 2.066 179.663 177.584 0.021 0.000 1.195 394 A CA 1.682 53.730 52.037 0.018 0.000 0.616 394 A CB -0.604 18.404 19.000 0.013 0.000 0.832 394 A HN 0.382 nan 8.150 nan 0.000 0.443 395 R N -0.632 119.878 120.500 0.016 0.000 2.170 395 R HA -0.108 4.232 4.340 -0.000 0.000 0.242 395 R C 1.928 178.242 176.300 0.023 0.000 1.145 395 R CA 1.315 57.425 56.100 0.017 0.000 0.984 395 R CB -0.594 29.713 30.300 0.012 0.000 0.869 395 R HN 0.426 nan 8.270 nan 0.000 0.455 396 V N 1.042 120.970 119.914 0.023 0.000 2.283 396 V HA -0.208 3.912 4.120 -0.000 0.000 0.243 396 V C 1.996 178.114 176.094 0.040 0.000 1.039 396 V CA 1.742 64.056 62.300 0.024 0.000 1.016 396 V CB -0.360 31.473 31.823 0.017 0.000 0.650 396 V HN 0.319 nan 8.190 nan 0.000 0.449 397 E N 0.452 120.683 120.200 0.052 0.000 2.049 397 E HA -0.265 4.084 4.350 -0.000 0.000 0.198 397 E C 2.302 178.990 176.600 0.146 0.000 1.007 397 E CA 1.553 58.011 56.400 0.097 0.000 0.809 397 E CB -0.427 29.332 29.700 0.099 0.000 0.749 397 E HN 0.585 nan 8.360 nan 0.000 0.450 398 A N 1.407 124.280 122.820 0.088 0.000 1.908 398 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 398 A C 2.367 180.004 177.584 0.089 0.000 1.181 398 A CA 1.974 54.053 52.037 0.069 0.000 0.627 398 A CB -0.790 18.225 19.000 0.025 0.000 0.818 398 A HN 0.316 nan 8.150 nan 0.000 0.445 399 A N -0.275 122.583 122.820 0.063 0.000 1.832 399 A HA 0.002 4.322 4.320 -0.000 0.000 0.214 399 A C 2.133 179.751 177.584 0.057 0.000 1.200 399 A CA 1.766 53.833 52.037 0.050 0.000 0.610 399 A CB -0.931 18.087 19.000 0.030 0.000 0.842 399 A HN 0.967 nan 8.150 nan 0.000 0.444 400 L N -0.306 120.944 121.223 0.044 0.000 2.010 400 L HA -0.290 4.049 4.340 -0.000 0.000 0.219 400 L C 2.264 179.140 176.870 0.010 0.000 1.077 400 L CA 2.800 57.646 54.840 0.010 0.000 0.773 400 L CB -1.207 40.842 42.059 -0.017 0.000 0.892 400 L HN 0.573 nan 8.230 nan 0.000 0.436 401 H N -0.127 118.943 119.070 -0.001 0.000 2.355 401 H HA -0.198 4.358 4.556 -0.000 0.000 0.293 401 H C 2.084 177.413 175.328 0.003 0.000 1.060 401 H CA 2.227 58.275 56.048 0.000 0.000 1.167 401 H CB -0.642 29.121 29.762 0.001 0.000 1.376 401 H HN 0.526 nan 8.280 nan 0.000 0.549 402 A N 0.050 122.974 122.820 0.172 0.000 1.997 402 A HA -0.231 4.089 4.320 -0.000 0.000 0.221 402 A C 2.678 180.296 177.584 0.057 0.000 1.172 402 A CA 2.378 54.470 52.037 0.092 0.000 0.645 402 A CB -1.043 17.994 19.000 0.061 0.000 0.813 402 A HN 0.528 nan 8.150 nan 0.000 0.454 403 T N -0.890 113.690 114.554 0.044 0.000 2.643 403 T HA -0.149 4.201 4.350 -0.000 0.000 0.264 403 T C 2.166 176.874 174.700 0.013 0.000 1.045 403 T CA 1.344 63.457 62.100 0.022 0.000 1.155 403 T CB -0.273 68.602 68.868 0.011 0.000 0.863 403 T HN 0.368 nan 8.240 nan 0.000 0.420 404 R N 1.261 121.761 120.500 0.000 0.000 2.159 404 R HA -0.113 4.227 4.340 -0.000 0.000 0.252 404 R C 2.410 178.713 176.300 0.006 0.000 1.144 404 R CA 1.963 58.055 56.100 -0.012 0.000 0.961 404 R CB -1.207 29.066 30.300 -0.046 0.000 0.877 404 R HN 0.453 nan 8.270 nan 0.000 0.444 405 A N -0.506 122.330 122.820 0.027 0.000 2.216 405 A HA 0.075 4.395 4.320 -0.000 0.000 0.214 405 A C 2.060 179.658 177.584 0.024 0.000 1.160 405 A CA 1.483 53.540 52.037 0.033 0.000 0.725 405 A CB -0.246 18.787 19.000 0.054 0.000 0.784 405 A HN 0.426 nan 8.150 nan 0.000 0.472 406 A N -0.918 121.913 122.820 0.019 0.000 1.942 406 A HA 0.229 4.549 4.320 -0.000 0.000 0.209 406 A C 2.024 179.614 177.584 0.010 0.000 1.214 406 A CA 1.002 53.048 52.037 0.015 0.000 0.686 406 A CB -0.584 18.425 19.000 0.016 0.000 0.871 406 A HN 0.275 nan 8.150 nan 0.000 0.460 407 V N 0.694 120.612 119.914 0.007 0.000 2.324 407 V HA -0.327 3.793 4.120 -0.000 0.000 0.250 407 V C 2.408 178.505 176.094 0.004 0.000 1.060 407 V CA 2.522 64.824 62.300 0.004 0.000 1.042 407 V CB -0.869 30.953 31.823 -0.001 0.000 0.650 407 V HN 0.620 nan 8.190 nan 0.000 0.450 408 E N -0.088 120.115 120.200 0.005 0.000 2.006 408 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 408 E C 1.497 178.100 176.600 0.005 0.000 0.993 408 E CA 1.401 57.805 56.400 0.005 0.000 0.808 408 E CB -0.044 29.660 29.700 0.007 0.000 0.764 408 E HN 0.659 nan 8.360 nan 0.000 0.449 409 E N -0.221 119.984 120.200 0.007 0.000 2.736 409 E HA 0.257 4.607 4.350 -0.000 0.000 0.208 409 E C 0.071 176.675 176.600 0.007 0.000 0.996 409 E CA -0.019 56.384 56.400 0.005 0.000 1.104 409 E CB 1.216 30.918 29.700 0.003 0.000 1.111 409 E HN 0.325 nan 8.360 nan 0.000 0.455 410 G N 0.995 109.800 108.800 0.008 0.000 2.645 410 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.239 410 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.239 410 G C -0.232 174.675 174.900 0.011 0.000 1.331 410 G CA -0.307 44.799 45.100 0.009 0.000 0.890 410 G HN 0.643 nan 8.290 nan 0.000 0.572 411 V N -3.041 116.881 119.914 0.012 0.000 3.114 411 V HA 0.973 5.093 4.120 -0.000 0.000 0.308 411 V C -0.145 175.958 176.094 0.015 0.000 1.168 411 V CA 0.373 62.682 62.300 0.014 0.000 1.015 411 V CB 1.514 33.346 31.823 0.015 0.000 1.050 411 V HN 2.635 nan 8.190 nan 0.000 0.433 412 V N 2.128 122.052 119.914 0.017 0.000 3.120 412 V HA 0.891 5.011 4.120 -0.000 0.000 0.303 412 V C 0.468 176.575 176.094 0.022 0.000 1.238 412 V CA -0.248 62.064 62.300 0.019 0.000 1.008 412 V CB 1.819 33.652 31.823 0.018 0.000 1.064 412 V HN 2.688 nan 8.190 nan 0.000 0.434 413 A N 3.782 126.618 122.820 0.027 0.000 2.500 413 A HA 0.387 4.707 4.320 -0.000 0.000 0.286 413 A C 1.087 178.686 177.584 0.025 0.000 1.170 413 A CA 1.139 53.194 52.037 0.030 0.000 0.951 413 A CB -1.342 17.682 19.000 0.039 0.000 0.965 413 A HN 2.121 nan 8.150 nan 0.000 0.551 414 G N 1.438 110.251 108.800 0.022 0.000 2.486 414 G HA2 0.513 4.473 3.960 -0.000 0.000 0.272 414 G HA3 0.513 4.473 3.960 -0.000 0.000 0.272 414 G C 1.270 176.182 174.900 0.020 0.000 1.426 414 G CA -0.056 45.055 45.100 0.019 0.000 1.058 414 G HN 2.232 nan 8.290 nan 0.000 0.531 415 G N -2.230 106.581 108.800 0.017 0.000 2.249 415 G HA2 0.226 4.186 3.960 -0.000 0.000 0.273 415 G HA3 0.226 4.186 3.960 -0.000 0.000 0.273 415 G C 1.499 176.408 174.900 0.016 0.000 1.036 415 G CA 1.175 46.287 45.100 0.019 0.000 0.824 415 G HN 2.486 nan 8.290 nan 0.000 0.504 416 G N -2.844 105.963 108.800 0.010 0.000 2.253 416 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.251 416 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.251 416 G C 1.907 176.811 174.900 0.007 0.000 0.998 416 G CA 1.793 46.895 45.100 0.004 0.000 0.621 416 G HN 2.039 nan 8.290 nan 0.000 0.524 417 V N -0.893 119.030 119.914 0.016 0.000 2.283 417 V HA 0.287 4.407 4.120 -0.000 0.000 0.243 417 V C 3.104 179.212 176.094 0.023 0.000 1.039 417 V CA 2.287 64.600 62.300 0.021 0.000 1.016 417 V CB -1.758 30.082 31.823 0.029 0.000 0.650 417 V HN 1.703 nan 8.190 nan 0.000 0.449 418 A N 1.585 124.418 122.820 0.023 0.000 1.899 418 A HA -0.303 4.017 4.320 -0.000 0.000 0.230 418 A C 2.278 179.873 177.584 0.018 0.000 1.593 418 A CA 3.205 55.254 52.037 0.021 0.000 0.728 418 A CB -1.131 17.879 19.000 0.017 0.000 0.848 418 A HN 0.629 nan 8.150 nan 0.000 0.490 419 L N -0.989 120.242 121.223 0.014 0.000 2.005 419 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 419 L C 2.610 179.488 176.870 0.013 0.000 1.072 419 L CA 1.600 56.447 54.840 0.011 0.000 0.744 419 L CB -0.763 41.301 42.059 0.007 0.000 0.895 419 L HN 0.441 nan 8.230 nan 0.000 0.433 420 I N -0.293 120.285 120.570 0.013 0.000 2.315 420 I HA -0.297 3.873 4.170 -0.000 0.000 0.251 420 I C 2.813 178.943 176.117 0.023 0.000 1.125 420 I CA 0.897 62.206 61.300 0.015 0.000 1.392 420 I CB -0.441 37.567 38.000 0.014 0.000 1.065 420 I HN 0.280 nan 8.210 nan 0.000 0.424 421 R N 1.497 122.014 120.500 0.028 0.000 2.082 421 R HA -0.107 4.233 4.340 -0.000 0.000 0.228 421 R C 2.200 178.516 176.300 0.026 0.000 1.140 421 R CA 1.832 57.953 56.100 0.035 0.000 0.920 421 R CB -1.118 29.206 30.300 0.040 0.000 0.828 421 R HN 0.097 nan 8.270 nan 0.000 0.430 422 V N 1.292 121.219 119.914 0.021 0.000 2.218 422 V HA -0.343 3.777 4.120 -0.000 0.000 0.251 422 V C 2.283 178.384 176.094 0.013 0.000 1.057 422 V CA 2.586 64.895 62.300 0.015 0.000 1.022 422 V CB -1.252 30.577 31.823 0.011 0.000 0.645 422 V HN 0.617 nan 8.190 nan 0.000 0.451 423 A N 0.249 123.076 122.820 0.011 0.000 2.245 423 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 423 A C 2.329 179.920 177.584 0.011 0.000 1.171 423 A CA 2.070 54.113 52.037 0.009 0.000 0.688 423 A CB -0.615 18.390 19.000 0.008 0.000 0.781 423 A HN 0.795 nan 8.150 nan 0.000 0.479 424 S N -1.029 114.680 115.700 0.016 0.000 2.478 424 S HA 0.051 4.521 4.470 -0.000 0.000 0.222 424 S C 1.665 176.273 174.600 0.015 0.000 1.008 424 S CA 0.694 58.904 58.200 0.017 0.000 0.928 424 S CB -0.016 63.199 63.200 0.025 0.000 0.781 424 S HN 0.621 nan 8.310 nan 0.000 0.518 425 K N 1.423 121.831 120.400 0.014 0.000 2.044 425 K HA 0.265 4.585 4.320 -0.000 0.000 0.204 425 K C 1.284 177.889 176.600 0.008 0.000 1.045 425 K CA 0.759 57.053 56.287 0.011 0.000 0.951 425 K CB -0.438 32.069 32.500 0.011 0.000 0.738 425 K HN 0.300 nan 8.250 nan 0.000 0.443 426 L N 1.720 122.948 121.223 0.007 0.000 2.885 426 L HA -0.041 4.299 4.340 -0.000 0.000 0.258 426 L C 1.742 178.615 176.870 0.004 0.000 1.146 426 L CA -0.320 54.523 54.840 0.005 0.000 0.922 426 L CB -0.718 41.344 42.059 0.004 0.000 1.138 426 L HN 0.200 nan 8.230 nan 0.000 0.431 427 A N -0.677 122.147 122.820 0.005 0.000 2.172 427 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 427 A C 1.724 179.310 177.584 0.003 0.000 1.154 427 A CA 1.188 53.228 52.037 0.005 0.000 0.701 427 A CB -0.168 18.835 19.000 0.006 0.000 0.789 427 A HN 0.395 nan 8.150 nan 0.000 0.465 428 D N -1.223 119.179 120.400 0.003 0.000 2.417 428 D HA 0.109 4.748 4.640 -0.000 0.000 0.207 428 D C 0.260 176.561 176.300 0.002 0.000 1.075 428 D CA -0.238 53.763 54.000 0.002 0.000 0.851 428 D CB 0.086 40.888 40.800 0.002 0.000 0.976 428 D HN 0.345 nan 8.370 nan 0.000 0.505 429 L N 2.256 123.480 121.223 0.002 0.000 2.540 429 L HA 0.028 4.368 4.340 -0.000 0.000 0.276 429 L C 0.155 177.025 176.870 0.001 0.000 1.212 429 L CA 0.742 55.582 54.840 0.001 0.000 0.893 429 L CB 0.054 42.114 42.059 0.001 0.000 1.138 429 L HN -0.166 nan 8.230 nan 0.000 0.491 430 R N 3.111 123.611 120.500 0.000 0.000 2.855 430 R HA 0.719 5.059 4.340 -0.000 0.000 0.266 430 R C -0.268 176.031 176.300 -0.000 0.000 1.034 430 R CA -0.344 55.756 56.100 -0.000 0.000 0.944 430 R CB 1.502 31.802 30.300 -0.000 0.000 1.219 430 R HN 0.798 nan 8.270 nan 0.000 0.474 431 G N -0.354 108.445 108.800 -0.001 0.000 3.212 431 G HA2 0.230 4.190 3.960 -0.000 0.000 0.188 431 G HA3 0.230 4.190 3.960 -0.000 0.000 0.188 431 G C 0.040 174.939 174.900 -0.001 0.000 1.254 431 G CA -0.199 44.901 45.100 -0.001 0.000 0.957 431 G HN 0.413 nan 8.290 nan 0.000 0.596 432 Q N -0.413 119.386 119.800 -0.001 0.000 2.204 432 Q HA 0.096 4.436 4.340 -0.000 0.000 0.198 432 Q C -0.080 175.919 176.000 -0.002 0.000 0.946 432 Q CA 0.765 56.567 55.803 -0.002 0.000 0.859 432 Q CB 0.107 28.844 28.738 -0.002 0.000 0.946 432 Q HN 0.591 nan 8.270 nan 0.000 0.474 433 N N -1.552 117.147 118.700 -0.002 0.000 2.262 433 N HA 0.403 5.143 4.740 -0.000 0.000 0.295 433 N C -0.062 175.447 175.510 -0.001 0.000 1.161 433 N CA -0.008 53.041 53.050 -0.002 0.000 0.767 433 N CB 0.787 39.273 38.487 -0.002 0.000 1.499 433 N HN -0.067 nan 8.380 nan 0.000 0.476 434 A N 0.559 123.379 122.820 -0.001 0.000 1.915 434 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 434 A C 1.029 178.612 177.584 -0.001 0.000 1.198 434 A CA 2.107 54.143 52.037 -0.001 0.000 0.647 434 A CB -0.999 18.001 19.000 -0.001 0.000 0.825 434 A HN 0.763 nan 8.150 nan 0.000 0.456 435 D N -1.214 119.185 120.400 -0.002 0.000 2.411 435 D HA -0.056 4.584 4.640 -0.000 0.000 0.226 435 D C 1.650 177.949 176.300 -0.001 0.000 0.988 435 D CA 1.000 54.999 54.000 -0.002 0.000 0.938 435 D CB -0.031 40.768 40.800 -0.002 0.000 0.883 435 D HN 0.740 nan 8.370 nan 0.000 0.525 436 Q N -1.004 118.795 119.800 -0.001 0.000 2.404 436 Q HA 0.095 4.435 4.340 -0.000 0.000 0.262 436 Q C 1.374 177.373 176.000 -0.001 0.000 0.846 436 Q CA -0.224 55.578 55.803 -0.001 0.000 0.978 436 Q CB 0.541 29.278 28.738 -0.001 0.000 1.156 436 Q HN 0.025 nan 8.270 nan 0.000 0.548 437 N N 0.157 118.857 118.700 -0.001 0.000 2.188 437 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 437 N C 1.649 177.159 175.510 0.000 0.000 1.018 437 N CA 1.044 54.094 53.050 -0.000 0.000 0.858 437 N CB 0.070 38.556 38.487 -0.000 0.000 0.989 437 N HN 0.047 nan 8.380 nan 0.000 0.426 438 V N 0.620 120.534 119.914 -0.000 0.000 2.548 438 V HA -0.048 4.072 4.120 -0.000 0.000 0.249 438 V C 2.285 178.379 176.094 0.000 0.000 1.055 438 V CA 1.660 63.960 62.300 0.000 0.000 1.065 438 V CB -0.940 30.883 31.823 -0.000 0.000 0.681 438 V HN 0.309 nan 8.190 nan 0.000 0.462 439 G N -0.495 108.305 108.800 0.000 0.000 2.535 439 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.218 439 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.218 439 G C 1.388 176.289 174.900 0.001 0.000 1.122 439 G CA 0.706 45.806 45.100 0.001 0.000 0.769 439 G HN 0.507 nan 8.290 nan 0.000 0.549 440 I N -0.526 120.044 120.570 0.001 0.000 2.834 440 I HA 0.055 4.225 4.170 -0.000 0.000 0.239 440 I C 2.368 178.486 176.117 0.001 0.000 1.073 440 I CA 0.151 61.452 61.300 0.001 0.000 1.459 440 I CB -0.100 37.900 38.000 0.001 0.000 1.288 440 I HN -0.165 nan 8.210 nan 0.000 0.455 441 K N 1.003 121.403 120.400 0.001 0.000 2.163 441 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 441 K C 2.059 178.660 176.600 0.002 0.000 1.048 441 K CA 1.215 57.503 56.287 0.002 0.000 0.928 441 K CB -0.990 31.511 32.500 0.001 0.000 0.716 441 K HN 0.200 nan 8.250 nan 0.000 0.459 442 V N 1.200 121.114 119.914 0.002 0.000 2.261 442 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 442 V C 2.407 178.503 176.094 0.002 0.000 1.047 442 V CA 2.021 64.322 62.300 0.002 0.000 1.015 442 V CB -0.702 31.123 31.823 0.002 0.000 0.642 442 V HN 0.368 nan 8.190 nan 0.000 0.446 443 A N -0.849 121.973 122.820 0.002 0.000 2.070 443 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 443 A C 2.130 179.715 177.584 0.003 0.000 1.159 443 A CA 1.525 53.564 52.037 0.003 0.000 0.656 443 A CB -0.358 18.644 19.000 0.002 0.000 0.800 443 A HN 0.539 nan 8.150 nan 0.000 0.453 444 L N -1.589 119.636 121.223 0.002 0.000 2.071 444 L HA -0.010 4.330 4.340 -0.000 0.000 0.201 444 L C 2.624 179.495 176.870 0.003 0.000 1.076 444 L CA 1.225 56.067 54.840 0.003 0.000 0.755 444 L CB -0.591 41.470 42.059 0.003 0.000 0.915 444 L HN 0.371 nan 8.230 nan 0.000 0.445 445 R N 0.930 121.431 120.500 0.002 0.000 2.276 445 R HA -0.182 4.158 4.340 -0.000 0.000 0.243 445 R C 1.684 177.984 176.300 -0.000 0.000 1.161 445 R CA 1.325 57.425 56.100 0.001 0.000 1.007 445 R CB -0.105 30.195 30.300 0.000 0.000 0.867 445 R HN 0.386 nan 8.270 nan 0.000 0.472 446 A N -0.408 122.412 122.820 0.001 0.000 2.307 446 A HA 0.126 4.446 4.320 -0.000 0.000 0.218 446 A C 1.474 179.059 177.584 0.002 0.000 1.228 446 A CA -0.003 52.034 52.037 0.001 0.000 0.857 446 A CB 0.068 19.070 19.000 0.003 0.000 0.897 446 A HN 0.324 nan 8.150 nan 0.000 0.495 447 M N -1.461 118.140 119.600 0.001 0.000 2.461 447 M HA 0.121 4.601 4.480 -0.000 0.000 0.255 447 M C 1.045 177.344 176.300 -0.001 0.000 1.137 447 M CA 0.401 55.702 55.300 0.002 0.000 1.086 447 M CB 0.172 32.774 32.600 0.004 0.000 1.356 447 M HN 0.325 nan 8.290 nan 0.000 0.487 448 E N 1.144 121.343 120.200 -0.003 0.000 2.511 448 E HA 0.031 4.381 4.350 -0.000 0.000 0.196 448 E C 1.705 178.297 176.600 -0.013 0.000 1.066 448 E CA 0.197 56.592 56.400 -0.007 0.000 0.871 448 E CB 0.133 29.829 29.700 -0.007 0.000 0.863 448 E HN 0.459 nan 8.360 nan 0.000 0.520 449 A N 2.082 124.896 122.820 -0.010 0.000 1.826 449 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 449 A C -0.410 177.164 177.584 -0.016 0.000 1.212 449 A CA 0.639 52.669 52.037 -0.012 0.000 0.605 449 A CB -1.486 17.510 19.000 -0.006 0.000 0.861 449 A HN 0.073 nan 8.150 nan 0.000 0.447 450 P HA -0.226 nan 4.420 nan 0.000 0.219 450 P C 1.655 178.942 177.300 -0.022 0.000 1.158 450 P CA 1.549 64.642 63.100 -0.012 0.000 0.895 450 P CB -0.078 31.620 31.700 -0.004 0.000 0.792 451 L N -0.794 120.413 121.223 -0.027 0.000 1.961 451 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 451 L C 2.424 179.251 176.870 -0.071 0.000 1.075 451 L CA 1.756 56.567 54.840 -0.048 0.000 0.749 451 L CB -0.900 41.130 42.059 -0.049 0.000 0.890 451 L HN -0.288 nan 8.230 nan 0.000 0.433 452 R N -0.992 119.470 120.500 -0.063 0.000 2.257 452 R HA -0.308 4.032 4.340 -0.000 0.000 0.265 452 R C 2.244 178.506 176.300 -0.064 0.000 1.191 452 R CA 1.914 57.973 56.100 -0.067 0.000 1.010 452 R CB -0.326 29.948 30.300 -0.043 0.000 0.883 452 R HN 0.487 nan 8.270 nan 0.000 0.473 453 Q N 0.524 120.294 119.800 -0.050 0.000 1.984 453 Q HA -0.007 4.333 4.340 -0.000 0.000 0.196 453 Q C 1.886 177.857 176.000 -0.048 0.000 0.975 453 Q CA 1.431 57.209 55.803 -0.041 0.000 0.827 453 Q CB -0.056 28.667 28.738 -0.026 0.000 0.894 453 Q HN 0.339 nan 8.270 nan 0.000 0.438 454 I N -0.047 120.495 120.570 -0.047 0.000 2.315 454 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 454 I C 1.939 178.014 176.117 -0.069 0.000 1.125 454 I CA 0.861 62.136 61.300 -0.041 0.000 1.392 454 I CB -0.580 37.404 38.000 -0.026 0.000 1.065 454 I HN 0.018 nan 8.210 nan 0.000 0.424 455 V N 0.909 120.745 119.914 -0.128 0.000 2.867 455 V HA -0.205 3.914 4.120 -0.000 0.000 0.260 455 V C 2.231 178.255 176.094 -0.116 0.000 1.099 455 V CA 1.334 63.514 62.300 -0.200 0.000 1.122 455 V CB -0.365 31.286 31.823 -0.286 0.000 0.708 455 V HN 0.367 nan 8.190 nan 0.000 0.490 456 L N 0.225 121.402 121.223 -0.076 0.000 2.249 456 L HA 0.172 4.512 4.340 -0.000 0.000 0.207 456 L C 1.816 178.667 176.870 -0.032 0.000 1.090 456 L CA 1.353 56.164 54.840 -0.049 0.000 0.802 456 L CB -0.513 41.522 42.059 -0.039 0.000 0.947 456 L HN 0.264 nan 8.230 nan 0.000 0.453 457 N N -1.238 117.445 118.700 -0.028 0.000 2.567 457 N HA -0.062 4.678 4.740 -0.000 0.000 0.195 457 N C 0.673 176.178 175.510 -0.009 0.000 1.242 457 N CA 0.711 53.752 53.050 -0.015 0.000 0.884 457 N CB -0.385 38.095 38.487 -0.012 0.000 1.007 457 N HN 0.379 nan 8.380 nan 0.000 0.450 458 C N -1.658 117.635 119.300 -0.012 0.000 3.525 458 C HA 0.393 4.853 4.460 -0.000 0.000 0.289 458 C C 1.633 176.623 174.990 -0.001 0.000 1.496 458 C CA -0.315 58.704 59.018 0.002 0.000 1.804 458 C CB -0.416 27.335 27.740 0.019 0.000 2.708 458 C HN 0.479 nan 8.230 nan 0.000 0.642 459 G N 1.774 110.567 108.800 -0.010 0.000 2.180 459 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.263 459 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.263 459 G C -0.258 174.637 174.900 -0.009 0.000 0.989 459 G CA 0.529 45.624 45.100 -0.008 0.000 0.692 459 G HN 0.568 nan 8.290 nan 0.000 0.526 460 E N 0.958 121.146 120.200 -0.020 0.000 2.156 460 E HA 0.280 4.629 4.350 -0.000 0.000 0.279 460 E C 0.428 176.998 176.600 -0.050 0.000 0.965 460 E CA -0.541 55.845 56.400 -0.023 0.000 0.789 460 E CB 0.776 30.463 29.700 -0.021 0.000 1.098 460 E HN 0.574 nan 8.360 nan 0.000 0.397 461 E N 4.252 124.435 120.200 -0.028 0.000 2.757 461 E HA -0.095 4.255 4.350 -0.000 0.000 0.238 461 E C -1.558 175.008 176.600 -0.057 0.000 1.057 461 E CA -0.829 55.552 56.400 -0.030 0.000 0.952 461 E CB 0.226 29.921 29.700 -0.009 0.000 0.934 461 E HN 0.208 nan 8.360 nan 0.000 0.518 462 P HA -0.147 nan 4.420 nan 0.000 0.219 462 P C 1.036 178.300 177.300 -0.059 0.000 1.150 462 P CA 0.835 63.880 63.100 -0.091 0.000 0.814 462 P CB 0.303 31.957 31.700 -0.076 0.000 0.787 463 S N -0.328 115.350 115.700 -0.035 0.000 2.393 463 S HA -0.183 4.287 4.470 -0.000 0.000 0.234 463 S C 1.922 176.516 174.600 -0.011 0.000 1.064 463 S CA 1.882 60.070 58.200 -0.019 0.000 1.088 463 S CB -1.611 61.583 63.200 -0.010 0.000 0.939 463 S HN -0.003 nan 8.310 nan 0.000 0.448 464 V N 1.238 121.148 119.914 -0.006 0.000 2.278 464 V HA -0.075 4.045 4.120 -0.000 0.000 0.238 464 V C 2.354 178.466 176.094 0.029 0.000 1.039 464 V CA 1.224 63.535 62.300 0.019 0.000 1.017 464 V CB -1.003 30.844 31.823 0.040 0.000 0.657 464 V HN 0.361 nan 8.190 nan 0.000 0.462 465 V N 0.729 120.644 119.914 0.002 0.000 2.353 465 V HA -0.398 3.722 4.120 -0.000 0.000 0.260 465 V C 2.603 178.698 176.094 0.002 0.000 1.091 465 V CA 2.494 64.783 62.300 -0.018 0.000 1.088 465 V CB -1.324 30.271 31.823 -0.380 0.000 0.672 465 V HN 0.596 nan 8.190 nan 0.000 0.455 466 A N 0.182 122.981 122.820 -0.034 0.000 1.840 466 A HA -0.227 4.093 4.320 -0.000 0.000 0.214 466 A C 2.053 179.646 177.584 0.016 0.000 1.198 466 A CA 1.827 53.854 52.037 -0.017 0.000 0.608 466 A CB -0.876 18.107 19.000 -0.028 0.000 0.839 466 A HN 0.609 nan 8.150 nan 0.000 0.443 467 N N -0.480 118.229 118.700 0.015 0.000 2.096 467 N HA -0.189 4.551 4.740 -0.000 0.000 0.195 467 N C 1.611 177.140 175.510 0.033 0.000 1.017 467 N CA 2.736 55.799 53.050 0.022 0.000 0.870 467 N CB -0.520 37.977 38.487 0.018 0.000 1.024 467 N HN 0.383 nan 8.380 nan 0.000 0.434 468 T N -0.787 113.793 114.554 0.043 0.000 2.777 468 T HA -0.022 4.328 4.350 -0.000 0.000 0.266 468 T C 1.838 176.568 174.700 0.049 0.000 1.040 468 T CA 1.147 63.263 62.100 0.027 0.000 1.141 468 T CB -0.264 68.595 68.868 -0.015 0.000 0.868 468 T HN 0.072 nan 8.240 nan 0.000 0.444 469 V N 1.391 121.340 119.914 0.059 0.000 2.594 469 V HA -0.130 3.990 4.120 -0.000 0.000 0.253 469 V C 2.382 178.532 176.094 0.094 0.000 1.069 469 V CA 1.452 63.774 62.300 0.037 0.000 1.082 469 V CB -0.448 31.393 31.823 0.031 0.000 0.680 469 V HN 0.454 nan 8.190 nan 0.000 0.469 470 K N 0.406 120.848 120.400 0.070 0.000 2.062 470 K HA -0.024 4.296 4.320 -0.000 0.000 0.205 470 K C 1.997 178.640 176.600 0.072 0.000 1.051 470 K CA 1.170 57.494 56.287 0.062 0.000 0.941 470 K CB -0.553 31.970 32.500 0.037 0.000 0.719 470 K HN 0.528 nan 8.250 nan 0.000 0.440 471 G N 0.719 109.559 108.800 0.068 0.000 2.894 471 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.203 471 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.203 471 G C 0.437 175.370 174.900 0.056 0.000 1.173 471 G CA 0.662 45.792 45.100 0.051 0.000 0.854 471 G HN 0.374 nan 8.290 nan 0.000 0.510 472 G N -0.466 108.395 108.800 0.102 0.000 3.340 472 G HA2 0.614 4.574 3.960 -0.000 0.000 0.176 472 G HA3 0.614 4.574 3.960 -0.000 0.000 0.176 472 G C -1.258 173.681 174.900 0.065 0.000 1.103 472 G CA 0.171 45.308 45.100 0.060 0.000 0.779 472 G HN 0.411 nan 8.290 nan 0.000 0.673 473 D N -3.026 117.426 120.400 0.086 0.000 2.913 473 D HA 0.519 5.159 4.640 -0.000 0.000 0.293 473 D C 0.399 176.753 176.300 0.090 0.000 1.238 473 D CA 0.676 54.720 54.000 0.073 0.000 0.738 473 D CB 0.293 41.109 40.800 0.026 0.000 1.254 473 D HN 1.954 nan 8.370 nan 0.000 0.429 474 G N 0.072 108.915 108.800 0.072 0.000 2.553 474 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.242 474 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.242 474 G C -0.167 174.795 174.900 0.104 0.000 1.277 474 G CA 0.048 45.192 45.100 0.072 0.000 0.910 474 G HN 0.797 nan 8.290 nan 0.000 0.576 475 N N 0.009 118.773 118.700 0.106 0.000 2.362 475 N HA 0.173 4.913 4.740 -0.000 0.000 0.211 475 N C 0.098 175.708 175.510 0.167 0.000 1.170 475 N CA -0.139 52.976 53.050 0.108 0.000 0.828 475 N CB 0.143 38.676 38.487 0.077 0.000 1.034 475 N HN 0.490 nan 8.380 nan 0.000 0.475 476 Y N 1.408 121.737 120.300 0.047 0.000 2.537 476 Y HA 0.307 4.857 4.550 -0.000 0.000 0.339 476 Y C 0.575 176.539 175.900 0.106 0.000 1.066 476 Y CA -0.267 57.873 58.100 0.067 0.000 1.357 476 Y CB 0.051 38.537 38.460 0.044 0.000 1.175 476 Y HN -0.031 nan 8.280 nan 0.000 0.525 477 G N 4.593 113.302 108.800 -0.151 0.000 3.247 477 G HA2 0.305 4.265 3.960 -0.000 0.000 0.226 477 G HA3 0.305 4.265 3.960 -0.000 0.000 0.226 477 G C -2.201 172.664 174.900 -0.058 0.000 1.220 477 G CA -0.869 44.151 45.100 -0.133 0.000 0.875 477 G HN 0.598 nan 8.290 nan 0.000 0.606 478 Y N 0.900 121.117 120.300 -0.137 0.000 2.373 478 Y HA 0.547 5.097 4.550 -0.000 0.000 0.336 478 Y C -0.585 175.188 175.900 -0.210 0.000 0.979 478 Y CA -1.194 56.738 58.100 -0.279 0.000 1.080 478 Y CB 1.786 40.033 38.460 -0.355 0.000 1.190 478 Y HN 0.438 nan 8.280 nan 0.000 0.446 479 N N 4.525 122.959 118.700 -0.444 0.000 2.411 479 N HA 0.199 4.939 4.740 -0.000 0.000 0.259 479 N C 0.553 175.885 175.510 -0.297 0.000 1.103 479 N CA 0.761 53.654 53.050 -0.261 0.000 0.954 479 N CB 1.778 40.117 38.487 -0.245 0.000 1.085 479 N HN 0.982 nan 8.380 nan 0.000 0.485 480 A N 4.586 127.428 122.820 0.037 0.000 1.865 480 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 480 A C 2.075 179.670 177.584 0.018 0.000 1.191 480 A CA 2.074 54.204 52.037 0.155 0.000 0.623 480 A CB -1.027 18.035 19.000 0.105 0.000 0.826 480 A HN 0.756 nan 8.150 nan 0.000 0.444 481 A N -0.512 122.289 122.820 -0.032 0.000 1.865 481 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 481 A C 2.483 180.018 177.584 -0.081 0.000 1.191 481 A CA 2.873 54.883 52.037 -0.044 0.000 0.623 481 A CB -1.478 17.500 19.000 -0.036 0.000 0.826 481 A HN 0.890 nan 8.150 nan 0.000 0.444 482 T N -3.592 110.881 114.554 -0.135 0.000 3.055 482 T HA 0.034 4.384 4.350 -0.000 0.000 0.265 482 T C 0.533 175.102 174.700 -0.219 0.000 1.111 482 T CA 1.088 63.096 62.100 -0.152 0.000 1.118 482 T CB -0.372 68.407 68.868 -0.149 0.000 0.909 482 T HN 0.593 nan 8.240 nan 0.000 0.501 483 E N 0.537 120.521 120.200 -0.361 0.000 2.868 483 E HA -0.125 4.225 4.350 -0.000 0.000 0.278 483 E C -0.774 175.465 176.600 -0.601 0.000 1.009 483 E CA 0.734 56.851 56.400 -0.472 0.000 0.856 483 E CB -1.151 28.457 29.700 -0.154 0.000 1.428 483 E HN 0.684 nan 8.360 nan 0.000 0.423 484 E N -0.574 119.227 120.200 -0.666 0.000 2.340 484 E HA 0.414 4.764 4.350 -0.000 0.000 0.273 484 E C -0.262 176.026 176.600 -0.521 0.000 0.891 484 E CA -0.637 55.495 56.400 -0.448 0.000 0.757 484 E CB 1.004 30.600 29.700 -0.174 0.000 1.231 484 E HN -0.022 nan 8.360 nan 0.000 0.439 485 Y N 0.332 120.512 120.300 -0.201 0.000 2.314 485 Y HA 0.605 5.155 4.550 -0.000 0.000 0.359 485 Y C 1.479 177.369 175.900 -0.017 0.000 1.360 485 Y CA 0.734 58.746 58.100 -0.146 0.000 1.697 485 Y CB 0.567 38.975 38.460 -0.086 0.000 1.630 485 Y HN 0.725 nan 8.280 nan 0.000 0.583 486 G N -0.268 108.704 108.800 0.287 0.000 2.302 486 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.276 486 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.276 486 G C -1.636 173.419 174.900 0.258 0.000 1.316 486 G CA -1.016 44.262 45.100 0.296 0.000 0.988 486 G HN 0.634 nan 8.290 nan 0.000 0.479 487 N N 1.306 120.111 118.700 0.175 0.000 2.402 487 N HA 0.156 4.896 4.740 -0.000 0.000 0.252 487 N C 1.897 177.455 175.510 0.079 0.000 1.118 487 N CA -0.447 52.682 53.050 0.133 0.000 0.945 487 N CB 0.596 39.139 38.487 0.094 0.000 1.147 487 N HN 0.439 nan 8.380 nan 0.000 0.495 488 M N 3.321 122.964 119.600 0.071 0.000 2.202 488 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 488 M C 1.484 177.804 176.300 0.033 0.000 1.063 488 M CA 0.988 56.313 55.300 0.040 0.000 1.097 488 M CB -0.443 32.179 32.600 0.038 0.000 1.382 488 M HN 0.544 nan 8.290 nan 0.000 0.413 489 I N 0.233 120.827 120.570 0.040 0.000 2.233 489 I HA -0.219 3.951 4.170 -0.000 0.000 0.243 489 I C 1.900 178.032 176.117 0.025 0.000 1.093 489 I CA 1.279 62.597 61.300 0.030 0.000 1.380 489 I CB -1.328 36.691 38.000 0.031 0.000 1.067 489 I HN 0.221 nan 8.210 nan 0.000 0.413 490 D N 0.787 121.205 120.400 0.029 0.000 2.117 490 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 490 D C 2.200 178.510 176.300 0.017 0.000 0.987 490 D CA 1.085 55.099 54.000 0.023 0.000 0.829 490 D CB -0.152 40.664 40.800 0.028 0.000 0.961 490 D HN 0.294 nan 8.370 nan 0.000 0.460 491 M N -0.348 119.262 119.600 0.017 0.000 2.700 491 M HA 0.044 4.524 4.480 -0.000 0.000 0.249 491 M C 1.070 177.371 176.300 0.002 0.000 1.082 491 M CA 0.792 56.095 55.300 0.005 0.000 1.077 491 M CB -0.032 32.567 32.600 -0.002 0.000 1.477 491 M HN 0.086 nan 8.290 nan 0.000 0.529 492 G N 1.971 110.776 108.800 0.007 0.000 2.160 492 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.251 492 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.251 492 G C 0.015 174.919 174.900 0.006 0.000 1.008 492 G CA -0.187 44.917 45.100 0.006 0.000 0.724 492 G HN 0.534 nan 8.290 nan 0.000 0.514 493 I N 0.856 121.431 120.570 0.008 0.000 2.347 493 I HA 0.570 4.740 4.170 -0.000 0.000 0.283 493 I C 0.160 176.286 176.117 0.015 0.000 1.058 493 I CA -0.822 60.483 61.300 0.009 0.000 1.202 493 I CB 0.582 38.586 38.000 0.006 0.000 1.386 493 I HN 0.262 nan 8.210 nan 0.000 0.475 494 L N 3.772 125.004 121.223 0.014 0.000 2.710 494 L HA 0.708 5.048 4.340 -0.000 0.000 0.260 494 L C -1.708 175.172 176.870 0.016 0.000 0.993 494 L CA -0.809 54.041 54.840 0.017 0.000 0.877 494 L CB 1.778 43.847 42.059 0.018 0.000 1.461 494 L HN 0.106 nan 8.230 nan 0.000 0.413 495 D N -0.261 120.149 120.400 0.017 0.000 2.575 495 D HA 0.516 5.156 4.640 -0.000 0.000 0.236 495 D C -2.821 173.490 176.300 0.018 0.000 1.075 495 D CA -1.253 52.757 54.000 0.017 0.000 0.860 495 D CB 2.241 43.051 40.800 0.017 0.000 1.475 495 D HN 0.348 nan 8.370 nan 0.000 0.474 496 P HA -0.008 nan 4.420 nan 0.000 0.269 496 P C 0.877 178.187 177.300 0.017 0.000 1.211 496 P CA 0.161 63.273 63.100 0.020 0.000 0.781 496 P CB 0.617 32.332 31.700 0.026 0.000 0.877 497 T N 0.892 115.454 114.554 0.014 0.000 2.812 497 T HA -0.139 4.211 4.350 -0.000 0.000 0.264 497 T C 1.639 176.343 174.700 0.007 0.000 1.042 497 T CA 1.066 63.172 62.100 0.009 0.000 1.140 497 T CB -0.381 68.491 68.868 0.007 0.000 0.870 497 T HN 0.476 nan 8.240 nan 0.000 0.445 498 K N 0.886 121.292 120.400 0.009 0.000 2.049 498 K HA -0.236 4.084 4.320 -0.000 0.000 0.219 498 K C 2.389 178.995 176.600 0.008 0.000 1.056 498 K CA 2.281 58.572 56.287 0.007 0.000 0.946 498 K CB -0.675 31.836 32.500 0.018 0.000 0.723 498 K HN 0.306 nan 8.250 nan 0.000 0.453 499 V N -0.179 119.746 119.914 0.020 0.000 2.261 499 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 499 V C 1.784 177.889 176.094 0.018 0.000 1.047 499 V CA 2.607 64.922 62.300 0.025 0.000 1.015 499 V CB -1.098 30.743 31.823 0.030 0.000 0.642 499 V HN 0.445 nan 8.190 nan 0.000 0.446 500 T N 0.123 114.685 114.554 0.013 0.000 2.946 500 T HA -0.162 4.188 4.350 -0.000 0.000 0.271 500 T C 1.799 176.499 174.700 -0.000 0.000 1.104 500 T CA 1.988 64.094 62.100 0.010 0.000 1.114 500 T CB -0.399 68.475 68.868 0.009 0.000 0.867 500 T HN 0.701 nan 8.240 nan 0.000 0.513 501 R N 0.878 121.372 120.500 -0.010 0.000 2.046 501 R HA -0.000 4.340 4.340 -0.000 0.000 0.223 501 R C 2.633 178.899 176.300 -0.057 0.000 1.179 501 R CA 1.314 57.394 56.100 -0.033 0.000 0.952 501 R CB -0.513 29.763 30.300 -0.040 0.000 0.843 501 R HN 0.150 nan 8.270 nan 0.000 0.439 502 S N 0.924 116.584 115.700 -0.066 0.000 2.393 502 S HA -0.312 4.158 4.470 -0.000 0.000 0.235 502 S C 2.056 176.645 174.600 -0.018 0.000 1.061 502 S CA 1.823 59.958 58.200 -0.110 0.000 1.129 502 S CB -0.655 62.550 63.200 0.008 0.000 1.011 502 S HN 0.617 nan 8.310 nan 0.000 0.436 503 A N 0.778 123.629 122.820 0.051 0.000 1.917 503 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 503 A C 2.142 179.756 177.584 0.051 0.000 1.182 503 A CA 1.840 53.924 52.037 0.079 0.000 0.633 503 A CB -0.683 18.349 19.000 0.053 0.000 0.819 503 A HN 0.444 nan 8.150 nan 0.000 0.448 504 L N -0.505 120.724 121.223 0.010 0.000 2.156 504 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 504 L C 2.377 179.241 176.870 -0.009 0.000 1.095 504 L CA 1.963 56.804 54.840 0.002 0.000 0.770 504 L CB -0.513 41.541 42.059 -0.009 0.000 0.914 504 L HN 0.510 nan 8.230 nan 0.000 0.439 505 Q N -1.717 118.049 119.800 -0.057 0.000 1.984 505 Q HA -0.160 4.180 4.340 -0.000 0.000 0.196 505 Q C 2.186 178.174 176.000 -0.019 0.000 0.975 505 Q CA 1.619 57.364 55.803 -0.096 0.000 0.827 505 Q CB -0.480 28.118 28.738 -0.233 0.000 0.894 505 Q HN 0.411 nan 8.270 nan 0.000 0.438 506 Y N 1.022 121.324 120.300 0.003 0.000 2.193 506 Y HA -0.253 4.297 4.550 -0.000 0.000 0.285 506 Y C 2.446 178.347 175.900 0.001 0.000 1.166 506 Y CA 0.998 59.099 58.100 0.002 0.000 1.181 506 Y CB -0.954 37.507 38.460 0.002 0.000 0.976 506 Y HN 0.190 nan 8.280 nan 0.000 0.520 507 A N -0.138 122.779 122.820 0.161 0.000 1.902 507 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 507 A C 2.524 180.147 177.584 0.066 0.000 1.181 507 A CA 1.982 54.072 52.037 0.090 0.000 0.623 507 A CB -1.214 17.822 19.000 0.059 0.000 0.818 507 A HN 0.400 nan 8.150 nan 0.000 0.443 508 A N -0.700 122.152 122.820 0.054 0.000 1.877 508 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 508 A C 2.440 180.050 177.584 0.044 0.000 1.186 508 A CA 2.187 54.245 52.037 0.035 0.000 0.620 508 A CB -1.160 17.850 19.000 0.017 0.000 0.822 508 A HN 0.638 nan 8.150 nan 0.000 0.443 509 S N -0.507 115.233 115.700 0.067 0.000 2.427 509 S HA -0.217 4.253 4.470 -0.000 0.000 0.231 509 S C 1.903 176.536 174.600 0.055 0.000 1.045 509 S CA 2.305 60.549 58.200 0.073 0.000 1.154 509 S CB -0.917 62.364 63.200 0.136 0.000 1.093 509 S HN 0.384 nan 8.310 nan 0.000 0.422 510 V N 2.838 122.788 119.914 0.060 0.000 2.217 510 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 510 V C 2.916 179.025 176.094 0.025 0.000 1.050 510 V CA 2.483 64.804 62.300 0.035 0.000 1.007 510 V CB -1.694 30.146 31.823 0.029 0.000 0.639 510 V HN 0.753 nan 8.190 nan 0.000 0.452 511 A N 0.147 122.982 122.820 0.025 0.000 1.954 511 A HA -0.298 4.022 4.320 -0.000 0.000 0.222 511 A C 2.330 179.922 177.584 0.014 0.000 1.199 511 A CA 2.748 54.795 52.037 0.017 0.000 0.657 511 A CB -1.539 17.471 19.000 0.017 0.000 0.823 511 A HN 0.694 nan 8.150 nan 0.000 0.463 512 G N -0.229 108.581 108.800 0.017 0.000 2.552 512 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 512 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 512 G C 1.516 176.422 174.900 0.010 0.000 1.240 512 G CA 1.155 46.262 45.100 0.013 0.000 0.796 512 G HN 0.498 nan 8.290 nan 0.000 0.568 513 L N -0.179 121.052 121.223 0.013 0.000 2.010 513 L HA -0.262 4.078 4.340 -0.000 0.000 0.219 513 L C 3.148 180.021 176.870 0.004 0.000 1.077 513 L CA 1.885 56.730 54.840 0.009 0.000 0.773 513 L CB -0.585 41.480 42.059 0.012 0.000 0.892 513 L HN 0.267 nan 8.230 nan 0.000 0.436 514 M N -0.575 119.027 119.600 0.003 0.000 2.213 514 M HA -0.185 4.295 4.480 -0.000 0.000 0.263 514 M C 2.171 178.469 176.300 -0.003 0.000 1.062 514 M CA 1.722 57.020 55.300 -0.002 0.000 1.105 514 M CB -0.318 32.281 32.600 -0.001 0.000 1.385 514 M HN 0.236 nan 8.290 nan 0.000 0.417 515 I N -0.464 120.106 120.570 -0.000 0.000 3.001 515 I HA -0.121 4.049 4.170 -0.000 0.000 0.268 515 I C 1.246 177.361 176.117 -0.003 0.000 1.267 515 I CA 0.874 62.173 61.300 -0.001 0.000 1.472 515 I CB -0.516 37.484 38.000 0.001 0.000 1.089 515 I HN 0.308 nan 8.210 nan 0.000 0.468 516 T N -2.580 111.972 114.554 -0.002 0.000 3.313 516 T HA 0.284 4.634 4.350 -0.000 0.000 0.263 516 T C 0.203 174.900 174.700 -0.005 0.000 0.983 516 T CA -0.395 61.702 62.100 -0.004 0.000 0.963 516 T CB -0.189 68.677 68.868 -0.002 0.000 1.141 516 T HN -0.110 nan 8.240 nan 0.000 0.526 517 T N 1.465 116.015 114.554 -0.006 0.000 2.841 517 T HA 0.457 4.807 4.350 -0.000 0.000 0.283 517 T C 0.256 174.955 174.700 -0.001 0.000 1.000 517 T CA -0.638 61.459 62.100 -0.005 0.000 0.977 517 T CB 2.126 70.987 68.868 -0.011 0.000 0.979 517 T HN 0.090 nan 8.240 nan 0.000 0.446 518 E N 0.357 120.563 120.200 0.009 0.000 2.541 518 E HA 0.194 4.544 4.350 -0.000 0.000 0.219 518 E C -0.032 176.640 176.600 0.120 0.000 0.922 518 E CA 0.106 56.523 56.400 0.028 0.000 1.095 518 E CB 0.923 30.610 29.700 -0.021 0.000 1.112 518 E HN 0.545 nan 8.360 nan 0.000 0.516 519 C N 0.921 120.292 119.300 0.118 0.000 2.880 519 C HA 0.687 5.147 4.460 -0.000 0.000 0.320 519 C C -1.324 173.693 174.990 0.045 0.000 1.176 519 C CA -0.572 58.587 59.018 0.234 0.000 1.390 519 C CB 0.417 28.376 27.740 0.365 0.000 1.846 519 C HN 0.110 nan 8.230 nan 0.000 0.478 520 M N 5.127 124.679 119.600 -0.081 0.000 2.395 520 M HA 0.563 5.042 4.480 -0.000 0.000 0.307 520 M C -1.194 175.049 176.300 -0.095 0.000 1.091 520 M CA -0.644 54.554 55.300 -0.170 0.000 0.919 520 M CB 2.156 34.478 32.600 -0.464 0.000 1.662 520 M HN 0.350 nan 8.290 nan 0.000 0.440 521 V N 1.622 121.556 119.914 0.032 0.000 2.357 521 V HA 0.491 4.611 4.120 -0.000 0.000 0.281 521 V C -0.373 175.810 176.094 0.148 0.000 1.015 521 V CA -0.311 62.047 62.300 0.098 0.000 0.827 521 V CB 1.688 33.552 31.823 0.069 0.000 1.018 521 V HN 0.973 nan 8.190 nan 0.000 0.432 522 T N 2.395 117.082 114.554 0.222 0.000 2.907 522 T HA 0.485 4.835 4.350 -0.000 0.000 0.290 522 T C -0.474 174.246 174.700 0.033 0.000 1.066 522 T CA -0.462 61.717 62.100 0.133 0.000 1.012 522 T CB 1.775 70.738 68.868 0.159 0.000 1.184 522 T HN 0.633 nan 8.240 nan 0.000 0.522 523 D N 0.930 121.327 120.400 -0.005 0.000 2.354 523 D HA 0.297 4.937 4.640 -0.000 0.000 0.238 523 D C -0.293 175.963 176.300 -0.073 0.000 1.250 523 D CA -0.036 53.946 54.000 -0.030 0.000 0.911 523 D CB 0.269 41.052 40.800 -0.028 0.000 1.163 523 D HN 0.174 nan 8.370 nan 0.000 0.456 524 L N 2.272 123.457 121.223 -0.064 0.000 2.350 524 L HA 0.282 4.622 4.340 -0.000 0.000 0.275 524 L C -1.772 175.044 176.870 -0.090 0.000 1.099 524 L CA -1.937 52.853 54.840 -0.084 0.000 0.808 524 L CB 0.868 42.894 42.059 -0.056 0.000 1.149 524 L HN 0.311 nan 8.230 nan 0.000 0.442 525 P HA -0.072 nan 4.420 nan 0.000 0.314 525 P C -0.825 176.434 177.300 -0.068 0.000 1.521 525 P CA 0.781 63.820 63.100 -0.101 0.000 0.754 525 P CB -0.229 31.401 31.700 -0.116 0.000 1.692 526 K N 0.000 120.366 120.400 -0.057 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.262 56.287 -0.042 0.000 0.838 526 K CB 0.000 32.478 32.500 -0.036 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543