REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1sx4_1_G DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.575 177.584 -0.014 0.000 1.274 2 A CA 0.000 52.028 52.037 -0.016 0.000 0.836 2 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 3 A N 2.198 125.013 122.820 -0.009 0.000 2.561 3 A HA 0.511 4.831 4.320 -0.001 0.000 0.234 3 A C 0.298 177.875 177.584 -0.012 0.000 1.055 3 A CA 0.423 52.456 52.037 -0.005 0.000 0.756 3 A CB -0.039 18.962 19.000 0.001 0.000 0.986 3 A HN 0.637 nan 8.150 nan 0.000 0.505 4 K N 1.255 121.650 120.400 -0.008 0.000 2.166 4 K HA 0.445 4.765 4.320 -0.001 0.000 0.245 4 K C -1.175 175.431 176.600 0.010 0.000 0.967 4 K CA -0.685 55.592 56.287 -0.016 0.000 0.863 4 K CB 1.419 33.908 32.500 -0.019 0.000 1.107 4 K HN 0.676 nan 8.250 nan 0.000 0.436 5 D N 1.693 122.104 120.400 0.020 0.000 2.453 5 D HA 0.210 4.850 4.640 -0.001 0.000 0.238 5 D C -0.947 175.467 176.300 0.191 0.000 1.088 5 D CA -0.583 53.485 54.000 0.112 0.000 0.854 5 D CB 0.862 41.752 40.800 0.149 0.000 1.076 5 D HN 0.280 nan 8.370 nan 0.000 0.533 6 V N 1.253 121.218 119.914 0.085 0.000 2.539 6 V HA 0.676 4.795 4.120 -0.001 0.000 0.292 6 V C -0.263 175.733 176.094 -0.164 0.000 1.045 6 V CA -0.502 61.769 62.300 -0.048 0.000 0.945 6 V CB 1.521 33.213 31.823 -0.218 0.000 0.993 6 V HN 0.330 nan 8.190 nan 0.000 0.464 7 K N 3.575 123.788 120.400 -0.311 0.000 2.422 7 K HA 0.705 5.025 4.320 -0.001 0.000 0.251 7 K C -1.637 174.697 176.600 -0.444 0.000 0.933 7 K CA -0.413 55.630 56.287 -0.407 0.000 0.798 7 K CB 2.259 34.349 32.500 -0.685 0.000 1.238 7 K HN 0.721 nan 8.250 nan 0.000 0.428 8 F N 0.085 119.984 119.950 -0.084 0.000 2.594 8 F HA 0.399 4.926 4.527 -0.001 0.000 0.335 8 F C 1.499 177.266 175.800 -0.055 0.000 1.058 8 F CA 0.007 57.980 58.000 -0.046 0.000 0.981 8 F CB 1.421 40.404 39.000 -0.029 0.000 1.289 8 F HN 0.788 nan 8.300 nan 0.000 0.490 9 G N 1.491 110.428 108.800 0.229 0.000 2.730 9 G HA2 -0.531 3.429 3.960 -0.001 0.000 0.531 9 G HA3 -0.531 3.429 3.960 -0.001 0.000 0.531 9 G C 1.094 176.017 174.900 0.040 0.000 1.112 9 G CA 1.622 46.782 45.100 0.100 0.000 0.868 9 G HN 0.897 nan 8.290 nan 0.000 0.740 10 N N 0.081 118.795 118.700 0.023 0.000 2.142 10 N HA -0.082 4.657 4.740 -0.001 0.000 0.186 10 N C 1.813 177.312 175.510 -0.019 0.000 1.023 10 N CA 2.009 55.061 53.050 0.002 0.000 0.852 10 N CB -0.286 38.202 38.487 0.002 0.000 0.998 10 N HN 0.504 nan 8.380 nan 0.000 0.424 11 D N 0.017 120.401 120.400 -0.027 0.000 2.230 11 D HA -0.239 4.400 4.640 -0.001 0.000 0.189 11 D C 1.826 178.051 176.300 -0.126 0.000 1.006 11 D CA 2.132 56.091 54.000 -0.069 0.000 0.853 11 D CB -0.762 39.999 40.800 -0.064 0.000 0.959 11 D HN 0.475 nan 8.370 nan 0.000 0.449 12 A N 0.149 122.888 122.820 -0.135 0.000 1.933 12 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 12 A C 2.209 179.742 177.584 -0.086 0.000 1.175 12 A CA 1.621 53.545 52.037 -0.188 0.000 0.628 12 A CB -0.402 18.503 19.000 -0.158 0.000 0.814 12 A HN 0.169 nan 8.150 nan 0.000 0.444 13 R N -0.806 119.671 120.500 -0.039 0.000 2.066 13 R HA -0.069 4.270 4.340 -0.001 0.000 0.232 13 R C 2.099 178.392 176.300 -0.011 0.000 1.131 13 R CA 1.360 57.454 56.100 -0.010 0.000 0.955 13 R CB -0.725 29.576 30.300 0.001 0.000 0.851 13 R HN 0.369 nan 8.270 nan 0.000 0.432 14 V N 2.244 122.145 119.914 -0.021 0.000 2.250 14 V HA -0.361 3.759 4.120 -0.001 0.000 0.253 14 V C 2.333 178.420 176.094 -0.011 0.000 1.065 14 V CA 1.931 64.221 62.300 -0.017 0.000 1.039 14 V CB -0.441 31.367 31.823 -0.024 0.000 0.647 14 V HN 0.334 nan 8.190 nan 0.000 0.446 15 K N -0.717 119.666 120.400 -0.028 0.000 2.032 15 K HA -0.196 4.124 4.320 -0.001 0.000 0.209 15 K C 2.135 178.760 176.600 0.041 0.000 1.048 15 K CA 1.870 58.161 56.287 0.006 0.000 0.927 15 K CB -0.675 31.821 32.500 -0.007 0.000 0.712 15 K HN 0.454 nan 8.250 nan 0.000 0.441 16 M N 0.800 120.423 119.600 0.038 0.000 2.108 16 M HA -0.234 4.246 4.480 -0.001 0.000 0.257 16 M C 2.153 178.475 176.300 0.036 0.000 1.071 16 M CA 1.543 56.874 55.300 0.051 0.000 1.093 16 M CB -0.119 32.505 32.600 0.040 0.000 1.345 16 M HN 0.119 nan 8.290 nan 0.000 0.403 17 L N 0.138 121.374 121.223 0.023 0.000 2.109 17 L HA -0.108 4.232 4.340 -0.001 0.000 0.207 17 L C 2.197 179.078 176.870 0.019 0.000 1.086 17 L CA 1.695 56.546 54.840 0.018 0.000 0.760 17 L CB -0.568 41.498 42.059 0.012 0.000 0.910 17 L HN 0.202 nan 8.230 nan 0.000 0.437 18 R N -0.299 120.213 120.500 0.020 0.000 2.103 18 R HA -0.138 4.202 4.340 -0.001 0.000 0.242 18 R C 2.199 178.513 176.300 0.023 0.000 1.142 18 R CA 1.272 57.384 56.100 0.020 0.000 0.960 18 R CB -1.121 29.191 30.300 0.021 0.000 0.858 18 R HN 0.583 nan 8.270 nan 0.000 0.439 19 G N 0.844 109.663 108.800 0.031 0.000 2.484 19 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.215 19 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.215 19 G C 1.508 176.420 174.900 0.020 0.000 1.219 19 G CA 1.153 46.270 45.100 0.029 0.000 0.791 19 G HN 0.138 nan 8.290 nan 0.000 0.550 20 V N 1.679 121.606 119.914 0.021 0.000 2.250 20 V HA -0.385 3.735 4.120 -0.001 0.000 0.253 20 V C 2.492 178.594 176.094 0.013 0.000 1.065 20 V CA 2.496 64.806 62.300 0.016 0.000 1.039 20 V CB -1.159 30.674 31.823 0.017 0.000 0.647 20 V HN 0.491 nan 8.190 nan 0.000 0.446 21 N N -0.064 118.644 118.700 0.013 0.000 2.036 21 N HA -0.190 4.549 4.740 -0.001 0.000 0.195 21 N C 1.754 177.269 175.510 0.008 0.000 1.037 21 N CA 1.691 54.747 53.050 0.010 0.000 0.855 21 N CB -0.379 38.114 38.487 0.010 0.000 1.033 21 N HN 0.340 nan 8.380 nan 0.000 0.423 22 V N 1.790 121.709 119.914 0.009 0.000 2.252 22 V HA -0.229 3.891 4.120 -0.001 0.000 0.249 22 V C 2.251 178.347 176.094 0.004 0.000 1.056 22 V CA 1.440 63.743 62.300 0.006 0.000 1.022 22 V CB -0.749 31.078 31.823 0.007 0.000 0.641 22 V HN 0.394 nan 8.190 nan 0.000 0.445 23 L N 1.188 122.415 121.223 0.005 0.000 1.976 23 L HA -0.118 4.222 4.340 -0.001 0.000 0.209 23 L C 2.519 179.391 176.870 0.003 0.000 1.071 23 L CA 2.905 57.747 54.840 0.003 0.000 0.746 23 L CB -1.756 40.305 42.059 0.004 0.000 0.890 23 L HN 0.290 nan 8.230 nan 0.000 0.432 24 A N -0.194 122.630 122.820 0.006 0.000 1.940 24 A HA -0.240 4.079 4.320 -0.001 0.000 0.219 24 A C 1.860 179.447 177.584 0.005 0.000 1.176 24 A CA 1.942 53.983 52.037 0.007 0.000 0.631 24 A CB -0.804 18.201 19.000 0.009 0.000 0.814 24 A HN 0.603 nan 8.150 nan 0.000 0.446 25 D N 0.069 120.472 120.400 0.004 0.000 2.178 25 D HA 0.024 4.663 4.640 -0.001 0.000 0.202 25 D C 2.089 178.390 176.300 0.001 0.000 0.974 25 D CA 1.344 55.346 54.000 0.003 0.000 0.841 25 D CB -0.486 40.316 40.800 0.003 0.000 0.953 25 D HN 0.447 nan 8.370 nan 0.000 0.478 26 A N 0.416 123.236 122.820 -0.000 0.000 2.019 26 A HA -0.087 4.233 4.320 -0.001 0.000 0.219 26 A C 2.295 179.877 177.584 -0.002 0.000 1.164 26 A CA 0.962 52.997 52.037 -0.003 0.000 0.644 26 A CB -0.298 18.699 19.000 -0.005 0.000 0.805 26 A HN 0.177 nan 8.150 nan 0.000 0.449 27 V N -0.326 119.588 119.914 -0.000 0.000 2.825 27 V HA -0.109 4.010 4.120 -0.001 0.000 0.246 27 V C 2.173 178.268 176.094 0.002 0.000 1.068 27 V CA 1.459 63.759 62.300 0.000 0.000 1.088 27 V CB -0.440 31.384 31.823 0.001 0.000 0.733 27 V HN 0.464 nan 8.190 nan 0.000 0.468 28 K N 1.101 121.503 120.400 0.004 0.000 2.103 28 K HA -0.157 4.162 4.320 -0.001 0.000 0.207 28 K C 2.072 178.674 176.600 0.004 0.000 1.048 28 K CA 1.806 58.096 56.287 0.005 0.000 0.930 28 K CB -0.601 31.902 32.500 0.005 0.000 0.716 28 K HN 0.570 nan 8.250 nan 0.000 0.444 29 V N 0.005 119.920 119.914 0.002 0.000 2.828 29 V HA -0.164 3.956 4.120 -0.001 0.000 0.260 29 V C 2.050 178.145 176.094 0.002 0.000 1.101 29 V CA 2.041 64.342 62.300 0.001 0.000 1.123 29 V CB -1.536 30.287 31.823 -0.001 0.000 0.704 29 V HN 0.360 nan 8.190 nan 0.000 0.493 30 T N -2.360 112.195 114.554 0.002 0.000 3.144 30 T HA 0.320 4.669 4.350 -0.001 0.000 0.249 30 T C 0.302 175.005 174.700 0.005 0.000 1.089 30 T CA -0.190 61.911 62.100 0.002 0.000 0.989 30 T CB -0.112 68.757 68.868 0.001 0.000 0.992 30 T HN 0.348 nan 8.240 nan 0.000 0.540 31 L N 2.259 123.486 121.223 0.007 0.000 2.312 31 L HA 0.680 5.019 4.340 -0.001 0.000 0.281 31 L C 0.608 177.484 176.870 0.011 0.000 1.070 31 L CA 1.126 55.972 54.840 0.009 0.000 0.805 31 L CB 0.118 42.184 42.059 0.011 0.000 1.174 31 L HN 0.621 nan 8.230 nan 0.000 0.434 32 G N 4.693 113.499 108.800 0.010 0.000 2.756 32 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.678 32 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.678 32 G C -2.235 172.667 174.900 0.005 0.000 1.349 32 G CA -0.305 44.801 45.100 0.010 0.000 0.847 32 G HN 0.565 nan 8.290 nan 0.000 0.548 33 P HA -0.022 nan 4.420 nan 0.000 0.219 33 P C 1.030 178.327 177.300 -0.004 0.000 1.150 33 P CA 1.350 64.445 63.100 -0.007 0.000 0.814 33 P CB 0.044 31.732 31.700 -0.019 0.000 0.787 34 K N 0.659 121.059 120.400 0.001 0.000 2.790 34 K HA 0.221 4.541 4.320 -0.001 0.000 0.229 34 K C 1.136 177.739 176.600 0.005 0.000 1.040 34 K CA -0.362 55.927 56.287 0.004 0.000 1.211 34 K CB -0.315 32.191 32.500 0.009 0.000 1.002 34 K HN 0.101 nan 8.250 nan 0.000 0.479 35 G N 0.910 109.712 108.800 0.003 0.000 2.569 35 G HA2 0.164 4.123 3.960 -0.001 0.000 0.249 35 G HA3 0.164 4.123 3.960 -0.001 0.000 0.249 35 G C -0.194 174.706 174.900 0.001 0.000 1.216 35 G CA -0.448 44.654 45.100 0.003 0.000 0.845 35 G HN 0.242 nan 8.290 nan 0.000 0.568 36 R N -0.125 120.376 120.500 0.001 0.000 2.919 36 R HA 0.342 4.682 4.340 -0.001 0.000 0.260 36 R C -0.483 175.816 176.300 -0.002 0.000 1.067 36 R CA -0.981 55.119 56.100 -0.001 0.000 1.003 36 R CB 1.472 31.771 30.300 -0.001 0.000 1.192 36 R HN 0.525 nan 8.270 nan 0.000 0.488 37 N N -0.188 118.509 118.700 -0.004 0.000 2.485 37 N HA 0.452 5.192 4.740 -0.001 0.000 0.280 37 N C -0.858 174.647 175.510 -0.008 0.000 1.205 37 N CA -0.412 52.635 53.050 -0.005 0.000 0.959 37 N CB 1.703 40.186 38.487 -0.006 0.000 1.206 37 N HN 0.090 nan 8.380 nan 0.000 0.545 38 V N 0.523 120.431 119.914 -0.010 0.000 2.914 38 V HA 0.435 4.555 4.120 -0.001 0.000 0.314 38 V C -0.343 175.740 176.094 -0.018 0.000 1.084 38 V CA -0.815 61.477 62.300 -0.013 0.000 0.963 38 V CB 2.404 34.219 31.823 -0.013 0.000 1.025 38 V HN 0.292 nan 8.190 nan 0.000 0.432 39 V N 4.536 124.436 119.914 -0.023 0.000 2.384 39 V HA 0.521 4.641 4.120 -0.001 0.000 0.287 39 V C -0.517 175.552 176.094 -0.042 0.000 1.020 39 V CA -0.423 61.858 62.300 -0.031 0.000 0.850 39 V CB 1.432 33.237 31.823 -0.031 0.000 0.987 39 V HN 0.606 nan 8.190 nan 0.000 0.436 40 L N 3.825 125.016 121.223 -0.054 0.000 2.313 40 L HA 0.581 4.921 4.340 -0.001 0.000 0.283 40 L C 0.015 176.816 176.870 -0.115 0.000 1.013 40 L CA -0.524 54.272 54.840 -0.073 0.000 0.816 40 L CB 1.590 43.611 42.059 -0.064 0.000 1.236 40 L HN 0.493 nan 8.230 nan 0.000 0.419 41 D N 2.670 122.991 120.400 -0.132 0.000 2.414 41 D HA 0.339 4.979 4.640 -0.001 0.000 0.251 41 D C -0.636 175.478 176.300 -0.310 0.000 1.252 41 D CA -0.012 53.885 54.000 -0.171 0.000 0.999 41 D CB 0.912 41.633 40.800 -0.131 0.000 1.093 41 D HN 0.390 nan 8.370 nan 0.000 0.515 42 K N -0.411 119.749 120.400 -0.400 0.000 2.635 42 K HA 0.126 4.445 4.320 -0.001 0.000 0.266 42 K C 0.644 176.917 176.600 -0.545 0.000 1.033 42 K CA -0.238 55.541 56.287 -0.846 0.000 0.919 42 K CB 1.142 33.075 32.500 -0.946 0.000 1.289 42 K HN 0.294 nan 8.250 nan 0.000 0.463 43 S N 2.881 118.371 115.700 -0.350 0.000 2.400 43 S HA -0.177 4.292 4.470 -0.001 0.000 0.232 43 S C 1.614 176.333 174.600 0.199 0.000 1.025 43 S CA 0.955 59.175 58.200 0.034 0.000 0.993 43 S CB -0.628 62.669 63.200 0.162 0.000 0.808 43 S HN 0.501 nan 8.310 nan 0.000 0.478 44 F N 2.890 122.838 119.950 -0.004 0.000 2.397 44 F HA 0.067 4.594 4.527 -0.001 0.000 0.308 44 F C 1.949 177.747 175.800 -0.003 0.000 1.335 44 F CA 0.472 58.470 58.000 -0.004 0.000 1.282 44 F CB -1.818 37.179 39.000 -0.004 0.000 0.881 44 F HN 0.473 nan 8.300 nan 0.000 0.606 45 G N -1.760 107.140 108.800 0.167 0.000 3.253 45 G HA2 0.603 4.562 3.960 -0.001 0.000 0.175 45 G HA3 0.603 4.562 3.960 -0.001 0.000 0.175 45 G C -0.924 173.979 174.900 0.004 0.000 1.098 45 G CA -0.214 44.928 45.100 0.071 0.000 0.790 45 G HN 0.613 nan 8.290 nan 0.000 0.648 46 A N 0.631 123.454 122.820 0.004 0.000 2.520 46 A HA 0.560 4.879 4.320 -0.001 0.000 0.235 46 A C -1.764 175.789 177.584 -0.052 0.000 1.065 46 A CA -0.272 51.752 52.037 -0.021 0.000 0.764 46 A CB -0.600 18.395 19.000 -0.008 0.000 1.002 46 A HN 0.362 nan 8.150 nan 0.000 0.502 47 P HA 0.207 nan 4.420 nan 0.000 0.273 47 P C -0.101 177.165 177.300 -0.057 0.000 1.258 47 P CA 0.123 63.171 63.100 -0.086 0.000 0.802 47 P CB 0.379 32.037 31.700 -0.071 0.000 1.040 48 T N 0.547 115.066 114.554 -0.058 0.000 2.841 48 T HA 0.547 4.896 4.350 -0.001 0.000 0.285 48 T C -0.329 174.353 174.700 -0.029 0.000 0.991 48 T CA -0.330 61.749 62.100 -0.035 0.000 0.966 48 T CB 0.085 68.929 68.868 -0.039 0.000 0.962 48 T HN 0.103 nan 8.240 nan 0.000 0.438 49 I N 3.031 123.591 120.570 -0.018 0.000 2.321 49 I HA 0.545 4.714 4.170 -0.001 0.000 0.291 49 I C 0.560 176.672 176.117 -0.008 0.000 0.998 49 I CA -0.321 60.971 61.300 -0.014 0.000 1.227 49 I CB 1.698 39.691 38.000 -0.011 0.000 1.368 49 I HN 0.444 nan 8.210 nan 0.000 0.466 50 T N 4.228 118.777 114.554 -0.009 0.000 2.864 50 T HA 0.352 4.702 4.350 -0.001 0.000 0.299 50 T C 0.022 174.720 174.700 -0.004 0.000 1.166 50 T CA -0.608 61.489 62.100 -0.004 0.000 1.007 50 T CB 1.787 70.653 68.868 -0.004 0.000 1.219 50 T HN 0.684 nan 8.240 nan 0.000 0.506 51 K N 1.026 121.426 120.400 -0.001 0.000 2.387 51 K HA 0.206 4.526 4.320 -0.001 0.000 0.203 51 K C -0.608 175.992 176.600 -0.000 0.000 1.030 51 K CA -0.113 56.174 56.287 -0.000 0.000 1.099 51 K CB 0.362 32.863 32.500 0.001 0.000 0.863 51 K HN 0.526 nan 8.250 nan 0.000 0.529 52 D N -0.624 119.775 120.400 -0.002 0.000 2.412 52 D HA 0.172 4.812 4.640 -0.001 0.000 0.224 52 D C 1.172 177.469 176.300 -0.006 0.000 1.093 52 D CA -0.236 53.762 54.000 -0.003 0.000 0.850 52 D CB 1.373 42.172 40.800 -0.003 0.000 1.046 52 D HN 0.157 nan 8.370 nan 0.000 0.507 53 G N 2.604 111.400 108.800 -0.005 0.000 2.574 53 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.220 53 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.220 53 G C 1.487 176.382 174.900 -0.010 0.000 1.173 53 G CA 1.052 46.149 45.100 -0.006 0.000 0.772 53 G HN 0.539 nan 8.290 nan 0.000 0.585 54 V N 0.153 120.058 119.914 -0.015 0.000 2.913 54 V HA -0.048 4.072 4.120 -0.001 0.000 0.260 54 V C 2.710 178.796 176.094 -0.014 0.000 1.098 54 V CA 2.576 64.864 62.300 -0.020 0.000 1.121 54 V CB -0.154 31.649 31.823 -0.033 0.000 0.714 54 V HN 0.318 nan 8.190 nan 0.000 0.487 55 S N -0.519 115.175 115.700 -0.010 0.000 2.362 55 S HA -0.072 4.398 4.470 -0.001 0.000 0.221 55 S C 1.830 176.426 174.600 -0.006 0.000 1.032 55 S CA 1.407 59.604 58.200 -0.004 0.000 0.973 55 S CB 0.151 63.350 63.200 -0.001 0.000 0.849 55 S HN 0.491 nan 8.310 nan 0.000 0.465 56 V N 2.231 122.141 119.914 -0.008 0.000 2.295 56 V HA -0.214 3.906 4.120 -0.001 0.000 0.246 56 V C 2.627 178.716 176.094 -0.008 0.000 1.049 56 V CA 1.863 64.157 62.300 -0.010 0.000 1.024 56 V CB -1.158 30.660 31.823 -0.009 0.000 0.648 56 V HN 0.521 nan 8.190 nan 0.000 0.447 57 A N 0.237 123.052 122.820 -0.008 0.000 1.858 57 A HA -0.202 4.118 4.320 -0.001 0.000 0.216 57 A C 2.274 179.854 177.584 -0.007 0.000 1.190 57 A CA 1.589 53.621 52.037 -0.008 0.000 0.617 57 A CB -0.558 18.436 19.000 -0.009 0.000 0.827 57 A HN 0.470 nan 8.150 nan 0.000 0.443 58 R N 0.002 120.498 120.500 -0.007 0.000 2.228 58 R HA -0.195 4.145 4.340 -0.001 0.000 0.259 58 R C 1.389 177.690 176.300 0.002 0.000 1.183 58 R CA 1.513 57.611 56.100 -0.002 0.000 1.002 58 R CB -0.664 29.638 30.300 0.003 0.000 0.879 58 R HN 0.569 nan 8.270 nan 0.000 0.467 59 E N 0.465 120.664 120.200 -0.001 0.000 2.358 59 E HA 0.026 4.376 4.350 -0.001 0.000 0.195 59 E C 0.766 177.362 176.600 -0.007 0.000 1.010 59 E CA 0.242 56.639 56.400 -0.005 0.000 0.856 59 E CB 0.082 29.771 29.700 -0.017 0.000 0.795 59 E HN 0.202 nan 8.360 nan 0.000 0.504 60 I N 2.100 122.666 120.570 -0.006 0.000 2.452 60 I HA 0.144 4.313 4.170 -0.001 0.000 0.287 60 I C 0.423 176.537 176.117 -0.005 0.000 1.079 60 I CA 0.155 61.452 61.300 -0.006 0.000 1.387 60 I CB 0.180 38.178 38.000 -0.005 0.000 1.404 60 I HN -0.034 nan 8.210 nan 0.000 0.522 61 E N 6.236 126.433 120.200 -0.006 0.000 2.321 61 E HA 0.532 4.881 4.350 -0.001 0.000 0.278 61 E C -1.950 174.646 176.600 -0.006 0.000 0.902 61 E CA -0.651 55.745 56.400 -0.007 0.000 0.758 61 E CB 2.048 31.744 29.700 -0.007 0.000 1.213 61 E HN 0.249 nan 8.360 nan 0.000 0.426 62 L N 2.996 124.215 121.223 -0.006 0.000 2.286 62 L HA 0.351 4.691 4.340 -0.001 0.000 0.265 62 L C 1.214 178.081 176.870 -0.005 0.000 1.012 62 L CA -0.176 54.663 54.840 -0.002 0.000 0.818 62 L CB 1.389 43.452 42.059 0.006 0.000 1.337 62 L HN 0.879 nan 8.230 nan 0.000 0.438 63 E N -0.277 119.923 120.200 0.001 0.000 2.140 63 E HA -0.083 4.266 4.350 -0.001 0.000 0.191 63 E C 0.186 176.785 176.600 -0.001 0.000 0.973 63 E CA 0.149 56.547 56.400 -0.003 0.000 0.829 63 E CB 0.176 29.876 29.700 0.001 0.000 0.781 63 E HN 0.621 nan 8.360 nan 0.000 0.466 64 D N 1.258 121.669 120.400 0.018 0.000 2.426 64 D HA -0.068 4.571 4.640 -0.001 0.000 0.261 64 D C 0.497 176.803 176.300 0.011 0.000 1.245 64 D CA 0.081 54.108 54.000 0.044 0.000 0.917 64 D CB 0.780 41.630 40.800 0.082 0.000 1.123 64 D HN 0.091 nan 8.370 nan 0.000 0.508 65 K N 3.445 123.803 120.400 -0.070 0.000 2.281 65 K HA -0.142 4.178 4.320 -0.001 0.000 0.203 65 K C 1.544 177.987 176.600 -0.263 0.000 1.046 65 K CA 0.837 56.997 56.287 -0.211 0.000 0.938 65 K CB -0.078 32.210 32.500 -0.353 0.000 0.737 65 K HN 0.492 nan 8.250 nan 0.000 0.458 66 F N 1.128 121.067 119.950 -0.019 0.000 2.220 66 F HA 0.038 4.564 4.527 -0.001 0.000 0.290 66 F C 2.322 178.112 175.800 -0.016 0.000 1.080 66 F CA 0.607 58.594 58.000 -0.022 0.000 1.318 66 F CB -0.292 38.694 39.000 -0.023 0.000 1.063 66 F HN 0.025 nan 8.300 nan 0.000 0.498 67 E N 0.172 120.477 120.200 0.174 0.000 2.118 67 E HA -0.262 4.087 4.350 -0.001 0.000 0.195 67 E C 1.823 178.455 176.600 0.054 0.000 0.992 67 E CA 1.342 57.799 56.400 0.095 0.000 0.804 67 E CB -0.264 29.477 29.700 0.069 0.000 0.741 67 E HN 0.265 nan 8.360 nan 0.000 0.458 68 N N 0.577 119.294 118.700 0.027 0.000 2.069 68 N HA -0.177 4.562 4.740 -0.001 0.000 0.191 68 N C 1.741 177.249 175.510 -0.003 0.000 1.031 68 N CA 1.458 54.506 53.050 -0.002 0.000 0.852 68 N CB -0.043 38.426 38.487 -0.030 0.000 1.018 68 N HN 0.062 nan 8.380 nan 0.000 0.423 69 M N -0.349 119.246 119.600 -0.009 0.000 2.089 69 M HA -0.150 4.330 4.480 -0.001 0.000 0.257 69 M C 2.184 178.497 176.300 0.021 0.000 1.071 69 M CA 1.908 57.208 55.300 -0.000 0.000 1.096 69 M CB -0.923 31.680 32.600 0.006 0.000 1.330 69 M HN 0.371 nan 8.290 nan 0.000 0.403 70 G N -0.063 108.761 108.800 0.041 0.000 2.553 70 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.218 70 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.218 70 G C 1.555 176.467 174.900 0.020 0.000 1.195 70 G CA 1.424 46.545 45.100 0.035 0.000 0.779 70 G HN 0.590 nan 8.290 nan 0.000 0.577 71 A N -0.806 122.024 122.820 0.016 0.000 1.968 71 A HA 0.039 4.358 4.320 -0.001 0.000 0.217 71 A C 2.326 179.912 177.584 0.003 0.000 1.169 71 A CA 1.695 53.738 52.037 0.009 0.000 0.638 71 A CB -0.221 18.783 19.000 0.007 0.000 0.812 71 A HN 0.341 nan 8.150 nan 0.000 0.446 72 Q N -0.885 118.915 119.800 0.000 0.000 2.436 72 Q HA 0.057 4.397 4.340 -0.001 0.000 0.209 72 Q C 1.817 177.814 176.000 -0.004 0.000 0.965 72 Q CA 0.798 56.597 55.803 -0.006 0.000 0.910 72 Q CB -0.149 28.581 28.738 -0.012 0.000 0.980 72 Q HN 0.771 nan 8.270 nan 0.000 0.491 73 M N -0.617 118.984 119.600 0.002 0.000 2.384 73 M HA -0.079 4.401 4.480 -0.001 0.000 0.258 73 M C 2.151 178.454 176.300 0.006 0.000 1.130 73 M CA 0.841 56.144 55.300 0.005 0.000 1.187 73 M CB -0.119 32.488 32.600 0.012 0.000 1.307 73 M HN -0.027 nan 8.290 nan 0.000 0.468 74 V N -0.119 119.801 119.914 0.010 0.000 2.594 74 V HA -0.231 3.889 4.120 -0.001 0.000 0.253 74 V C 2.108 178.204 176.094 0.004 0.000 1.069 74 V CA 1.735 64.042 62.300 0.011 0.000 1.082 74 V CB -1.458 30.373 31.823 0.013 0.000 0.680 74 V HN 0.514 nan 8.190 nan 0.000 0.469 75 K N 0.838 121.237 120.400 -0.002 0.000 2.360 75 K HA -0.251 4.069 4.320 -0.001 0.000 0.201 75 K C 2.031 178.618 176.600 -0.022 0.000 1.046 75 K CA 1.824 58.106 56.287 -0.010 0.000 0.940 75 K CB -0.100 32.395 32.500 -0.010 0.000 0.748 75 K HN 0.676 nan 8.250 nan 0.000 0.465 76 E N 0.411 120.598 120.200 -0.022 0.000 2.371 76 E HA -0.089 4.260 4.350 -0.001 0.000 0.194 76 E C 1.789 178.352 176.600 -0.062 0.000 1.012 76 E CA 0.417 56.791 56.400 -0.042 0.000 0.860 76 E CB 0.287 29.967 29.700 -0.033 0.000 0.811 76 E HN 0.296 nan 8.360 nan 0.000 0.502 77 V N -0.368 119.532 119.914 -0.023 0.000 2.323 77 V HA -0.083 4.036 4.120 -0.001 0.000 0.244 77 V C 2.177 178.249 176.094 -0.037 0.000 1.041 77 V CA 1.820 64.119 62.300 -0.002 0.000 1.025 77 V CB -0.361 31.493 31.823 0.051 0.000 0.656 77 V HN 0.245 nan 8.190 nan 0.000 0.451 78 A N 0.125 122.930 122.820 -0.025 0.000 1.902 78 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 78 A C 2.626 180.173 177.584 -0.062 0.000 1.181 78 A CA 2.564 54.585 52.037 -0.028 0.000 0.623 78 A CB -1.183 17.807 19.000 -0.018 0.000 0.818 78 A HN 0.769 nan 8.150 nan 0.000 0.443 79 S N -0.885 114.769 115.700 -0.077 0.000 2.355 79 S HA -0.171 4.299 4.470 -0.001 0.000 0.222 79 S C 2.217 176.724 174.600 -0.154 0.000 1.031 79 S CA 1.628 59.772 58.200 -0.094 0.000 0.993 79 S CB -0.294 62.859 63.200 -0.078 0.000 0.859 79 S HN 0.436 nan 8.310 nan 0.000 0.453 80 K N 1.272 121.522 120.400 -0.250 0.000 1.985 80 K HA 0.015 4.335 4.320 -0.001 0.000 0.210 80 K C 2.418 178.718 176.600 -0.501 0.000 1.047 80 K CA 1.297 57.297 56.287 -0.478 0.000 0.932 80 K CB -1.204 30.805 32.500 -0.818 0.000 0.716 80 K HN 0.419 nan 8.250 nan 0.000 0.439 81 A N 2.193 124.794 122.820 -0.365 0.000 1.969 81 A HA -0.304 4.016 4.320 -0.001 0.000 0.223 81 A C 2.012 179.568 177.584 -0.047 0.000 1.218 81 A CA 2.507 54.524 52.037 -0.033 0.000 0.667 81 A CB -0.902 18.124 19.000 0.043 0.000 0.826 81 A HN 0.603 nan 8.150 nan 0.000 0.472 82 N N -1.439 117.202 118.700 -0.098 0.000 2.290 82 N HA -0.123 4.616 4.740 -0.001 0.000 0.179 82 N C 0.786 176.234 175.510 -0.104 0.000 1.016 82 N CA 1.134 54.127 53.050 -0.095 0.000 0.871 82 N CB -0.111 38.321 38.487 -0.091 0.000 0.987 82 N HN 0.377 nan 8.380 nan 0.000 0.431 83 D N 0.697 121.036 120.400 -0.103 0.000 2.264 83 D HA -0.017 4.623 4.640 -0.001 0.000 0.208 83 D C 1.618 177.901 176.300 -0.029 0.000 0.966 83 D CA 0.551 54.510 54.000 -0.069 0.000 0.864 83 D CB 0.002 40.755 40.800 -0.078 0.000 0.933 83 D HN 0.394 nan 8.370 nan 0.000 0.499 84 A N 0.247 123.055 122.820 -0.019 0.000 1.878 84 A HA 0.347 4.667 4.320 -0.001 0.000 0.213 84 A C 1.855 179.484 177.584 0.076 0.000 1.192 84 A CA 1.426 53.506 52.037 0.072 0.000 0.619 84 A CB 0.164 19.296 19.000 0.221 0.000 0.837 84 A HN 0.180 nan 8.150 nan 0.000 0.446 85 A N -2.199 120.649 122.820 0.046 0.000 2.661 85 A HA 0.480 4.799 4.320 -0.001 0.000 0.278 85 A C 1.354 178.920 177.584 -0.029 0.000 1.090 85 A CA 0.906 52.971 52.037 0.047 0.000 0.969 85 A CB -0.618 18.421 19.000 0.065 0.000 1.240 85 A HN 1.817 nan 8.150 nan 0.000 0.578 86 G N 0.057 108.763 108.800 -0.156 0.000 2.416 86 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.301 86 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.301 86 G C -0.178 174.620 174.900 -0.169 0.000 0.985 86 G CA 1.024 45.913 45.100 -0.353 0.000 0.934 86 G HN 0.723 nan 8.290 nan 0.000 0.513 87 D N -2.472 117.892 120.400 -0.059 0.000 2.728 87 D HA 0.501 5.140 4.640 -0.001 0.000 0.249 87 D C 0.760 177.065 176.300 0.009 0.000 1.225 87 D CA 0.941 54.933 54.000 -0.015 0.000 0.748 87 D CB 0.517 41.326 40.800 0.015 0.000 1.326 87 D HN 1.254 nan 8.370 nan 0.000 0.426 88 G N 0.732 109.540 108.800 0.013 0.000 2.175 88 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.244 88 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.244 88 G C 1.050 175.966 174.900 0.026 0.000 0.982 88 G CA 1.552 46.667 45.100 0.025 0.000 0.641 88 G HN 0.904 nan 8.290 nan 0.000 0.527 89 T N -2.192 112.369 114.554 0.012 0.000 2.803 89 T HA -0.126 4.224 4.350 -0.001 0.000 0.269 89 T C 2.180 176.887 174.700 0.011 0.000 1.052 89 T CA 2.630 64.734 62.100 0.007 0.000 1.136 89 T CB -0.606 68.255 68.868 -0.012 0.000 0.864 89 T HN 0.357 nan 8.240 nan 0.000 0.467 90 T N 1.737 116.297 114.554 0.010 0.000 2.812 90 T HA -0.050 4.300 4.350 -0.001 0.000 0.264 90 T C 2.274 176.984 174.700 0.017 0.000 1.042 90 T CA 1.629 63.735 62.100 0.011 0.000 1.140 90 T CB -0.853 68.020 68.868 0.009 0.000 0.870 90 T HN 0.511 nan 8.240 nan 0.000 0.445 91 T N 2.342 116.909 114.554 0.021 0.000 2.635 91 T HA -0.134 4.216 4.350 -0.001 0.000 0.267 91 T C 2.372 177.089 174.700 0.030 0.000 1.040 91 T CA 1.387 63.502 62.100 0.024 0.000 1.156 91 T CB -0.718 68.166 68.868 0.026 0.000 0.863 91 T HN 0.436 nan 8.240 nan 0.000 0.430 92 A N 1.444 124.287 122.820 0.039 0.000 1.849 92 A HA -0.220 4.099 4.320 -0.001 0.000 0.217 92 A C 2.580 180.188 177.584 0.041 0.000 1.202 92 A CA 2.604 54.674 52.037 0.055 0.000 0.629 92 A CB -1.589 17.458 19.000 0.079 0.000 0.834 92 A HN 0.482 nan 8.150 nan 0.000 0.447 93 T N -0.196 114.375 114.554 0.030 0.000 2.624 93 T HA -0.204 4.145 4.350 -0.001 0.000 0.268 93 T C 1.861 176.573 174.700 0.021 0.000 1.041 93 T CA 1.952 64.065 62.100 0.022 0.000 1.159 93 T CB -0.711 68.165 68.868 0.013 0.000 0.863 93 T HN 0.176 nan 8.240 nan 0.000 0.434 94 V N 1.283 121.208 119.914 0.019 0.000 2.324 94 V HA -0.182 3.938 4.120 -0.001 0.000 0.250 94 V C 2.468 178.574 176.094 0.019 0.000 1.060 94 V CA 1.632 63.942 62.300 0.017 0.000 1.042 94 V CB -0.670 31.162 31.823 0.016 0.000 0.650 94 V HN 0.450 nan 8.190 nan 0.000 0.450 95 L N -0.442 120.795 121.223 0.023 0.000 2.141 95 L HA -0.106 4.234 4.340 -0.001 0.000 0.209 95 L C 2.610 179.494 176.870 0.023 0.000 1.094 95 L CA 1.375 56.229 54.840 0.023 0.000 0.763 95 L CB -0.601 41.474 42.059 0.025 0.000 0.908 95 L HN 0.370 nan 8.230 nan 0.000 0.437 96 A N 0.013 122.849 122.820 0.027 0.000 1.898 96 A HA -0.227 4.092 4.320 -0.001 0.000 0.214 96 A C 2.178 179.775 177.584 0.021 0.000 1.183 96 A CA 1.260 53.314 52.037 0.028 0.000 0.622 96 A CB -0.487 18.533 19.000 0.033 0.000 0.824 96 A HN 0.486 nan 8.150 nan 0.000 0.444 97 Q N 0.061 119.872 119.800 0.019 0.000 2.308 97 Q HA -0.053 4.287 4.340 -0.001 0.000 0.209 97 Q C 1.633 177.641 176.000 0.014 0.000 0.985 97 Q CA 2.210 58.022 55.803 0.016 0.000 0.881 97 Q CB -0.368 28.378 28.738 0.013 0.000 0.917 97 Q HN 0.517 nan 8.270 nan 0.000 0.443 98 A N 0.440 123.269 122.820 0.015 0.000 1.887 98 A HA 0.123 4.443 4.320 -0.001 0.000 0.210 98 A C 2.038 179.630 177.584 0.013 0.000 1.221 98 A CA 0.674 52.718 52.037 0.013 0.000 0.635 98 A CB -0.427 18.580 19.000 0.012 0.000 0.881 98 A HN 0.392 nan 8.150 nan 0.000 0.456 99 I N 0.247 120.826 120.570 0.015 0.000 2.118 99 I HA -0.333 3.836 4.170 -0.001 0.000 0.241 99 I C 2.346 178.472 176.117 0.014 0.000 1.070 99 I CA 1.717 63.026 61.300 0.014 0.000 1.327 99 I CB -0.554 37.456 38.000 0.016 0.000 1.034 99 I HN 0.301 nan 8.210 nan 0.000 0.405 100 I N 0.302 120.881 120.570 0.016 0.000 2.127 100 I HA -0.303 3.866 4.170 -0.001 0.000 0.241 100 I C 2.644 178.769 176.117 0.013 0.000 1.075 100 I CA 1.786 63.095 61.300 0.015 0.000 1.334 100 I CB -0.724 37.286 38.000 0.017 0.000 1.040 100 I HN 0.257 nan 8.210 nan 0.000 0.405 101 T N 0.268 114.829 114.554 0.012 0.000 2.544 101 T HA -0.238 4.112 4.350 -0.001 0.000 0.264 101 T C 1.867 176.572 174.700 0.009 0.000 1.096 101 T CA 1.679 63.785 62.100 0.010 0.000 1.181 101 T CB -0.304 68.570 68.868 0.008 0.000 0.864 101 T HN 0.267 nan 8.240 nan 0.000 0.415 102 E N 0.578 120.783 120.200 0.008 0.000 2.070 102 E HA -0.105 4.245 4.350 -0.001 0.000 0.197 102 E C 2.485 179.090 176.600 0.008 0.000 1.004 102 E CA 1.483 57.888 56.400 0.007 0.000 0.805 102 E CB -1.092 28.612 29.700 0.007 0.000 0.744 102 E HN 0.587 nan 8.360 nan 0.000 0.451 103 G N 0.987 109.793 108.800 0.009 0.000 2.446 103 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.217 103 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.217 103 G C 1.730 176.636 174.900 0.010 0.000 1.168 103 G CA 0.785 45.891 45.100 0.010 0.000 0.771 103 G HN 0.234 nan 8.290 nan 0.000 0.551 104 L N 0.068 121.297 121.223 0.010 0.000 2.131 104 L HA -0.035 4.304 4.340 -0.001 0.000 0.210 104 L C 2.785 179.659 176.870 0.008 0.000 1.092 104 L CA 1.369 56.215 54.840 0.010 0.000 0.759 104 L CB -0.295 41.770 42.059 0.010 0.000 0.903 104 L HN 0.266 nan 8.230 nan 0.000 0.435 105 K N 0.401 120.805 120.400 0.007 0.000 2.217 105 K HA -0.098 4.222 4.320 -0.001 0.000 0.202 105 K C 1.953 178.556 176.600 0.005 0.000 1.051 105 K CA 1.064 57.354 56.287 0.005 0.000 0.952 105 K CB 0.066 32.569 32.500 0.005 0.000 0.736 105 K HN 0.258 nan 8.250 nan 0.000 0.453 106 A N 0.089 122.913 122.820 0.006 0.000 2.132 106 A HA 0.046 4.365 4.320 -0.001 0.000 0.213 106 A C 1.896 179.484 177.584 0.006 0.000 1.154 106 A CA 0.402 52.443 52.037 0.006 0.000 0.753 106 A CB 0.071 19.075 19.000 0.006 0.000 0.826 106 A HN 0.127 nan 8.150 nan 0.000 0.469 107 V N -0.263 119.656 119.914 0.008 0.000 2.453 107 V HA -0.158 3.962 4.120 -0.001 0.000 0.247 107 V C 2.923 179.021 176.094 0.007 0.000 1.048 107 V CA 1.679 63.984 62.300 0.009 0.000 1.049 107 V CB -0.846 30.984 31.823 0.012 0.000 0.672 107 V HN 0.556 nan 8.190 nan 0.000 0.457 108 A N 0.116 122.940 122.820 0.006 0.000 2.015 108 A HA 0.038 4.358 4.320 -0.001 0.000 0.219 108 A C 2.321 179.906 177.584 0.003 0.000 1.163 108 A CA 1.485 53.524 52.037 0.004 0.000 0.646 108 A CB -0.512 18.489 19.000 0.003 0.000 0.806 108 A HN 0.540 nan 8.150 nan 0.000 0.448 109 A N -1.420 121.402 122.820 0.003 0.000 2.121 109 A HA 0.338 4.657 4.320 -0.001 0.000 0.218 109 A C 1.835 179.421 177.584 0.002 0.000 1.154 109 A CA 1.436 53.475 52.037 0.002 0.000 0.679 109 A CB -0.925 18.076 19.000 0.002 0.000 0.795 109 A HN 1.901 nan 8.150 nan 0.000 0.458 110 G N -1.831 106.971 108.800 0.003 0.000 2.140 110 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.211 110 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.211 110 G C 0.081 174.983 174.900 0.003 0.000 1.013 110 G CA 0.194 45.296 45.100 0.003 0.000 0.705 110 G HN 0.400 nan 8.290 nan 0.000 0.508 111 M N 0.274 119.877 119.600 0.004 0.000 2.245 111 M HA 0.205 4.685 4.480 -0.001 0.000 0.330 111 M C 0.912 177.216 176.300 0.007 0.000 1.098 111 M CA -0.384 54.919 55.300 0.005 0.000 1.172 111 M CB 0.296 32.899 32.600 0.005 0.000 1.467 111 M HN 0.208 nan 8.290 nan 0.000 0.454 112 N N 3.003 121.707 118.700 0.007 0.000 2.400 112 N HA 0.117 4.857 4.740 -0.001 0.000 0.267 112 N C -2.112 173.404 175.510 0.010 0.000 1.208 112 N CA -1.737 51.318 53.050 0.008 0.000 0.951 112 N CB 0.560 39.051 38.487 0.007 0.000 1.227 112 N HN 0.230 nan 8.380 nan 0.000 0.488 113 P HA -0.157 nan 4.420 nan 0.000 0.216 113 P C 1.631 178.940 177.300 0.014 0.000 1.150 113 P CA 1.010 64.119 63.100 0.014 0.000 0.837 113 P CB 0.131 31.841 31.700 0.017 0.000 0.786 114 M N -0.207 119.402 119.600 0.014 0.000 2.144 114 M HA -0.167 4.312 4.480 -0.001 0.000 0.260 114 M C 1.254 177.560 176.300 0.011 0.000 1.067 114 M CA 1.676 56.984 55.300 0.013 0.000 1.095 114 M CB -1.587 31.021 32.600 0.013 0.000 1.365 114 M HN -0.035 nan 8.290 nan 0.000 0.406 115 D N -0.291 120.114 120.400 0.009 0.000 2.224 115 D HA -0.016 4.623 4.640 -0.001 0.000 0.205 115 D C 2.226 178.531 176.300 0.008 0.000 0.965 115 D CA 0.616 54.621 54.000 0.008 0.000 0.852 115 D CB -0.009 40.795 40.800 0.007 0.000 0.947 115 D HN 0.333 nan 8.370 nan 0.000 0.494 116 L N 0.749 121.977 121.223 0.009 0.000 2.017 116 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 116 L C 2.515 179.391 176.870 0.009 0.000 1.073 116 L CA 1.188 56.033 54.840 0.009 0.000 0.745 116 L CB -0.314 41.751 42.059 0.010 0.000 0.894 116 L HN 0.004 nan 8.230 nan 0.000 0.432 117 K N 0.282 120.688 120.400 0.011 0.000 2.001 117 K HA -0.230 4.089 4.320 -0.001 0.000 0.214 117 K C 2.270 178.876 176.600 0.009 0.000 1.050 117 K CA 1.574 57.867 56.287 0.011 0.000 0.934 117 K CB -0.086 32.422 32.500 0.013 0.000 0.718 117 K HN 0.147 nan 8.250 nan 0.000 0.443 118 R N -0.243 120.262 120.500 0.008 0.000 2.096 118 R HA -0.147 4.193 4.340 -0.001 0.000 0.240 118 R C 2.511 178.814 176.300 0.005 0.000 1.139 118 R CA 1.616 57.720 56.100 0.006 0.000 0.952 118 R CB -0.862 29.442 30.300 0.006 0.000 0.854 118 R HN 0.501 nan 8.270 nan 0.000 0.436 119 G N 1.545 110.348 108.800 0.005 0.000 2.453 119 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.215 119 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.215 119 G C 1.531 176.433 174.900 0.004 0.000 1.201 119 G CA 0.783 45.886 45.100 0.004 0.000 0.784 119 G HN 0.166 nan 8.290 nan 0.000 0.545 120 I N 1.269 121.842 120.570 0.005 0.000 2.113 120 I HA -0.273 3.897 4.170 -0.001 0.000 0.242 120 I C 2.491 178.609 176.117 0.002 0.000 1.057 120 I CA 1.840 63.143 61.300 0.005 0.000 1.314 120 I CB -0.213 37.791 38.000 0.008 0.000 1.022 120 I HN 0.115 nan 8.210 nan 0.000 0.408 121 D N 0.472 120.873 120.400 0.003 0.000 2.084 121 D HA -0.219 4.421 4.640 -0.001 0.000 0.194 121 D C 2.047 178.346 176.300 -0.003 0.000 0.990 121 D CA 1.359 55.358 54.000 -0.001 0.000 0.826 121 D CB -0.359 40.442 40.800 0.001 0.000 0.971 121 D HN 0.325 nan 8.370 nan 0.000 0.453 122 K N 1.041 121.441 120.400 -0.001 0.000 2.001 122 K HA -0.225 4.095 4.320 -0.001 0.000 0.214 122 K C 2.119 178.717 176.600 -0.003 0.000 1.050 122 K CA 1.805 58.091 56.287 -0.002 0.000 0.934 122 K CB -0.260 32.240 32.500 -0.000 0.000 0.718 122 K HN 0.014 nan 8.250 nan 0.000 0.443 123 A N 0.572 123.391 122.820 -0.002 0.000 1.935 123 A HA -0.282 4.037 4.320 -0.001 0.000 0.224 123 A C 2.316 179.897 177.584 -0.005 0.000 1.324 123 A CA 2.648 54.684 52.037 -0.002 0.000 0.686 123 A CB -1.261 17.739 19.000 0.000 0.000 0.837 123 A HN 0.267 nan 8.150 nan 0.000 0.481 124 V N -0.715 119.194 119.914 -0.008 0.000 2.379 124 V HA -0.189 3.930 4.120 -0.001 0.000 0.245 124 V C 2.680 178.763 176.094 -0.019 0.000 1.044 124 V CA 2.380 64.671 62.300 -0.014 0.000 1.036 124 V CB -1.128 30.683 31.823 -0.019 0.000 0.664 124 V HN 0.686 nan 8.190 nan 0.000 0.453 125 T N 0.362 114.906 114.554 -0.017 0.000 2.929 125 T HA -0.129 4.221 4.350 -0.001 0.000 0.271 125 T C 1.904 176.596 174.700 -0.014 0.000 1.085 125 T CA 1.417 63.506 62.100 -0.018 0.000 1.125 125 T CB -0.279 68.581 68.868 -0.013 0.000 0.874 125 T HN 0.560 nan 8.240 nan 0.000 0.494 126 A N 1.205 124.019 122.820 -0.010 0.000 1.903 126 A HA 0.475 4.795 4.320 -0.001 0.000 0.213 126 A C 2.633 180.212 177.584 -0.007 0.000 1.185 126 A CA 1.143 53.176 52.037 -0.007 0.000 0.628 126 A CB -0.945 18.052 19.000 -0.004 0.000 0.830 126 A HN 0.468 nan 8.150 nan 0.000 0.446 127 A N -0.393 122.422 122.820 -0.009 0.000 1.972 127 A HA 0.035 4.354 4.320 -0.001 0.000 0.219 127 A C 2.173 179.750 177.584 -0.012 0.000 1.169 127 A CA 1.696 53.728 52.037 -0.008 0.000 0.635 127 A CB -0.784 18.211 19.000 -0.008 0.000 0.810 127 A HN 0.331 nan 8.150 nan 0.000 0.446 128 V N -0.038 119.865 119.914 -0.019 0.000 2.307 128 V HA -0.202 3.917 4.120 -0.001 0.000 0.245 128 V C 2.616 178.700 176.094 -0.016 0.000 1.045 128 V CA 2.188 64.474 62.300 -0.023 0.000 1.024 128 V CB -0.700 31.101 31.823 -0.035 0.000 0.651 128 V HN 0.463 nan 8.190 nan 0.000 0.449 129 E N 0.007 120.199 120.200 -0.012 0.000 2.070 129 E HA -0.205 4.145 4.350 -0.001 0.000 0.197 129 E C 2.296 178.893 176.600 -0.004 0.000 1.004 129 E CA 1.177 57.572 56.400 -0.008 0.000 0.805 129 E CB -0.420 29.277 29.700 -0.006 0.000 0.744 129 E HN 0.499 nan 8.360 nan 0.000 0.451 130 E N 0.359 120.557 120.200 -0.003 0.000 2.049 130 E HA -0.183 4.166 4.350 -0.001 0.000 0.198 130 E C 2.394 178.995 176.600 0.002 0.000 1.007 130 E CA 0.759 57.159 56.400 0.000 0.000 0.809 130 E CB -0.484 29.216 29.700 0.001 0.000 0.749 130 E HN 0.288 nan 8.360 nan 0.000 0.450 131 L N 0.646 121.868 121.223 -0.001 0.000 2.012 131 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 131 L C 2.442 179.313 176.870 0.001 0.000 1.073 131 L CA 1.483 56.323 54.840 0.000 0.000 0.748 131 L CB -0.375 41.681 42.059 -0.004 0.000 0.891 131 L HN 0.081 nan 8.230 nan 0.000 0.431 132 K N -0.289 120.109 120.400 -0.002 0.000 2.360 132 K HA -0.096 4.223 4.320 -0.001 0.000 0.201 132 K C 2.025 178.626 176.600 0.002 0.000 1.046 132 K CA 1.029 57.316 56.287 -0.001 0.000 0.945 132 K CB -0.113 32.385 32.500 -0.003 0.000 0.750 132 K HN 0.320 nan 8.250 nan 0.000 0.464 133 A N 0.630 123.451 122.820 0.002 0.000 1.975 133 A HA -0.022 4.298 4.320 -0.001 0.000 0.215 133 A C 1.903 179.491 177.584 0.007 0.000 1.170 133 A CA 0.701 52.740 52.037 0.004 0.000 0.656 133 A CB -0.098 18.904 19.000 0.004 0.000 0.821 133 A HN 0.094 nan 8.150 nan 0.000 0.449 134 L N -0.192 121.035 121.223 0.008 0.000 2.240 134 L HA 0.098 4.438 4.340 -0.001 0.000 0.211 134 L C 1.511 178.388 176.870 0.012 0.000 1.106 134 L CA 0.810 55.657 54.840 0.012 0.000 0.793 134 L CB -0.417 41.650 42.059 0.014 0.000 0.927 134 L HN 0.261 nan 8.230 nan 0.000 0.446 135 S N -0.582 115.123 115.700 0.009 0.000 2.552 135 S HA 0.282 4.752 4.470 -0.001 0.000 0.289 135 S C -0.314 174.292 174.600 0.009 0.000 1.304 135 S CA -0.268 57.937 58.200 0.009 0.000 1.063 135 S CB 0.164 63.368 63.200 0.007 0.000 0.848 135 S HN 0.123 nan 8.310 nan 0.000 0.499 136 V N 3.467 123.387 119.914 0.010 0.000 2.735 136 V HA 0.741 4.861 4.120 -0.001 0.000 0.310 136 V C -2.897 173.202 176.094 0.009 0.000 1.061 136 V CA -2.755 59.551 62.300 0.009 0.000 0.913 136 V CB 1.280 33.109 31.823 0.011 0.000 1.005 136 V HN 0.631 nan 8.190 nan 0.000 0.428 137 P HA 0.263 nan 4.420 nan 0.000 0.271 137 P C -0.642 176.662 177.300 0.008 0.000 1.216 137 P CA -0.083 63.022 63.100 0.007 0.000 0.776 137 P CB 0.578 32.282 31.700 0.006 0.000 0.881 138 C N 3.278 122.582 119.300 0.008 0.000 2.264 138 C HA 0.562 5.022 4.460 -0.001 0.000 0.322 138 C C 1.124 176.118 174.990 0.006 0.000 1.210 138 C CA 0.459 59.481 59.018 0.008 0.000 1.539 138 C CB -1.216 26.529 27.740 0.009 0.000 2.167 138 C HN 0.683 nan 8.230 nan 0.000 0.463 139 S N 2.060 117.763 115.700 0.005 0.000 2.744 139 S HA 0.185 4.654 4.470 -0.001 0.000 0.265 139 S C -0.225 174.376 174.600 0.003 0.000 1.065 139 S CA 0.054 58.257 58.200 0.004 0.000 1.191 139 S CB -0.355 62.847 63.200 0.003 0.000 1.150 139 S HN 0.854 nan 8.310 nan 0.000 0.646 140 D N 1.332 121.734 120.400 0.003 0.000 2.354 140 D HA 0.487 5.127 4.640 -0.001 0.000 0.247 140 D C 0.994 177.295 176.300 0.002 0.000 1.138 140 D CA -0.425 53.577 54.000 0.002 0.000 0.958 140 D CB 0.683 41.484 40.800 0.002 0.000 1.144 140 D HN -0.063 nan 8.370 nan 0.000 0.458 141 S N -0.634 115.067 115.700 0.001 0.000 2.402 141 S HA -0.170 4.299 4.470 -0.001 0.000 0.229 141 S C 1.564 176.164 174.600 0.001 0.000 1.021 141 S CA 1.099 59.299 58.200 0.000 0.000 0.974 141 S CB -0.367 62.833 63.200 -0.000 0.000 0.800 141 S HN 0.617 nan 8.310 nan 0.000 0.484 142 K N 1.228 121.628 120.400 0.001 0.000 2.026 142 K HA -0.075 4.244 4.320 -0.001 0.000 0.208 142 K C 2.155 178.756 176.600 0.002 0.000 1.048 142 K CA 1.310 57.598 56.287 0.001 0.000 0.929 142 K CB -0.389 32.112 32.500 0.001 0.000 0.713 142 K HN 0.280 nan 8.250 nan 0.000 0.439 143 A N 1.759 124.580 122.820 0.003 0.000 1.858 143 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 143 A C 2.132 179.719 177.584 0.005 0.000 1.190 143 A CA 1.606 53.646 52.037 0.004 0.000 0.617 143 A CB -0.721 18.282 19.000 0.006 0.000 0.827 143 A HN 0.377 nan 8.150 nan 0.000 0.443 144 I N -0.072 120.501 120.570 0.005 0.000 2.121 144 I HA -0.420 3.749 4.170 -0.001 0.000 0.243 144 I C 2.943 179.063 176.117 0.004 0.000 1.047 144 I CA 1.648 62.951 61.300 0.005 0.000 1.308 144 I CB -0.593 37.409 38.000 0.003 0.000 1.015 144 I HN 0.415 nan 8.210 nan 0.000 0.410 145 A N -0.157 122.664 122.820 0.003 0.000 1.972 145 A HA -0.259 4.060 4.320 -0.001 0.000 0.219 145 A C 2.194 179.779 177.584 0.002 0.000 1.169 145 A CA 1.681 53.719 52.037 0.002 0.000 0.635 145 A CB -0.548 18.453 19.000 0.000 0.000 0.810 145 A HN 0.536 nan 8.150 nan 0.000 0.446 146 Q N -0.758 119.043 119.800 0.002 0.000 2.123 146 Q HA -0.062 4.278 4.340 -0.001 0.000 0.199 146 Q C 2.230 178.232 176.000 0.005 0.000 0.966 146 Q CA 1.480 57.284 55.803 0.002 0.000 0.845 146 Q CB -0.350 28.388 28.738 0.001 0.000 0.907 146 Q HN 0.699 nan 8.270 nan 0.000 0.439 147 V N -0.906 119.013 119.914 0.008 0.000 2.323 147 V HA -0.064 4.055 4.120 -0.001 0.000 0.244 147 V C 1.913 178.016 176.094 0.014 0.000 1.041 147 V CA 2.209 64.516 62.300 0.012 0.000 1.025 147 V CB -1.229 30.604 31.823 0.016 0.000 0.656 147 V HN 0.349 nan 8.190 nan 0.000 0.451 148 G N 0.104 108.912 108.800 0.013 0.000 2.599 148 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.219 148 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.219 148 G C 1.635 176.542 174.900 0.011 0.000 1.193 148 G CA 2.015 47.123 45.100 0.013 0.000 0.778 148 G HN 0.516 nan 8.290 nan 0.000 0.589 149 T N 0.614 115.172 114.554 0.006 0.000 2.759 149 T HA -0.101 4.249 4.350 -0.001 0.000 0.269 149 T C 2.315 177.017 174.700 0.002 0.000 1.042 149 T CA 1.211 63.313 62.100 0.002 0.000 1.140 149 T CB -0.114 68.754 68.868 -0.002 0.000 0.864 149 T HN 0.175 nan 8.240 nan 0.000 0.455 150 I N 0.270 120.842 120.570 0.003 0.000 2.406 150 I HA -0.016 4.153 4.170 -0.001 0.000 0.249 150 I C 2.570 178.691 176.117 0.007 0.000 1.122 150 I CA 0.733 62.034 61.300 0.001 0.000 1.431 150 I CB -0.259 37.742 38.000 0.001 0.000 1.087 150 I HN 0.090 nan 8.210 nan 0.000 0.424 151 S N 0.425 116.133 115.700 0.013 0.000 2.382 151 S HA -0.064 4.405 4.470 -0.001 0.000 0.228 151 S C 1.775 176.386 174.600 0.018 0.000 1.027 151 S CA 1.060 59.272 58.200 0.019 0.000 0.991 151 S CB -0.371 62.846 63.200 0.029 0.000 0.823 151 S HN 0.457 nan 8.310 nan 0.000 0.469 152 A N 1.371 124.200 122.820 0.015 0.000 2.728 152 A HA 0.318 4.637 4.320 -0.001 0.000 0.258 152 A C 0.622 178.210 177.584 0.007 0.000 1.454 152 A CA 0.009 52.054 52.037 0.013 0.000 1.146 152 A CB -1.480 17.527 19.000 0.012 0.000 0.985 152 A HN 0.763 nan 8.150 nan 0.000 0.603 153 N N 0.320 119.024 118.700 0.005 0.000 2.708 153 N HA -0.250 4.489 4.740 -0.001 0.000 0.251 153 N C -0.134 175.373 175.510 -0.004 0.000 1.017 153 N CA 0.519 53.569 53.050 0.001 0.000 0.742 153 N CB -0.651 37.836 38.487 0.001 0.000 0.943 153 N HN 0.544 nan 8.380 nan 0.000 0.539 154 S N -0.892 114.805 115.700 -0.005 0.000 3.808 154 S HA -0.165 4.304 4.470 -0.001 0.000 0.312 154 S C -0.677 173.919 174.600 -0.007 0.000 1.134 154 S CA 0.632 58.826 58.200 -0.010 0.000 0.884 154 S CB -0.803 62.387 63.200 -0.016 0.000 0.918 154 S HN 0.614 nan 8.310 nan 0.000 0.523 155 D N 1.364 121.762 120.400 -0.003 0.000 2.485 155 D HA 0.260 4.899 4.640 -0.001 0.000 0.221 155 D C 1.213 177.512 176.300 -0.002 0.000 1.112 155 D CA -0.393 53.606 54.000 -0.002 0.000 0.911 155 D CB 0.473 41.274 40.800 0.001 0.000 1.019 155 D HN 0.429 nan 8.370 nan 0.000 0.516 156 E N 0.737 120.935 120.200 -0.004 0.000 2.233 156 E HA -0.177 4.173 4.350 -0.001 0.000 0.199 156 E C 1.247 177.846 176.600 -0.002 0.000 1.004 156 E CA 1.314 57.712 56.400 -0.004 0.000 0.819 156 E CB 0.278 29.974 29.700 -0.006 0.000 0.738 156 E HN 0.482 nan 8.360 nan 0.000 0.478 157 T N 0.373 114.926 114.554 -0.002 0.000 2.857 157 T HA -0.072 4.277 4.350 -0.001 0.000 0.266 157 T C 2.195 176.895 174.700 0.000 0.000 1.048 157 T CA 0.857 62.956 62.100 -0.001 0.000 1.139 157 T CB -0.185 68.683 68.868 -0.001 0.000 0.874 157 T HN -0.012 nan 8.240 nan 0.000 0.455 158 V N 1.866 121.781 119.914 0.002 0.000 2.307 158 V HA -0.050 4.070 4.120 -0.001 0.000 0.245 158 V C 2.977 179.073 176.094 0.003 0.000 1.045 158 V CA 1.900 64.202 62.300 0.004 0.000 1.024 158 V CB -1.552 30.275 31.823 0.007 0.000 0.651 158 V HN 0.577 nan 8.190 nan 0.000 0.449 159 G N -0.255 108.547 108.800 0.003 0.000 2.476 159 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.218 159 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.218 159 G C 1.672 176.572 174.900 0.001 0.000 1.164 159 G CA 1.300 46.401 45.100 0.003 0.000 0.768 159 G HN 0.463 nan 8.290 nan 0.000 0.560 160 K N -0.480 119.920 120.400 -0.000 0.000 2.057 160 K HA 0.011 4.331 4.320 -0.001 0.000 0.206 160 K C 2.491 179.090 176.600 -0.002 0.000 1.050 160 K CA 0.870 57.156 56.287 -0.001 0.000 0.935 160 K CB -0.223 32.276 32.500 -0.002 0.000 0.715 160 K HN 0.267 nan 8.250 nan 0.000 0.439 161 L N 1.527 122.749 121.223 -0.001 0.000 2.044 161 L HA -0.085 4.255 4.340 -0.001 0.000 0.205 161 L C 2.133 179.001 176.870 -0.003 0.000 1.075 161 L CA 1.263 56.101 54.840 -0.002 0.000 0.747 161 L CB -0.337 41.721 42.059 -0.001 0.000 0.903 161 L HN 0.180 nan 8.230 nan 0.000 0.435 162 I N -0.888 119.680 120.570 -0.003 0.000 2.069 162 I HA -0.403 3.767 4.170 -0.001 0.000 0.237 162 I C 2.606 178.720 176.117 -0.005 0.000 1.053 162 I CA 1.481 62.778 61.300 -0.005 0.000 1.311 162 I CB -0.685 37.314 38.000 -0.002 0.000 1.030 162 I HN 0.308 nan 8.210 nan 0.000 0.398 163 A N 0.181 122.999 122.820 -0.003 0.000 1.884 163 A HA -0.317 4.002 4.320 -0.001 0.000 0.219 163 A C 2.261 179.843 177.584 -0.004 0.000 1.197 163 A CA 2.221 54.256 52.037 -0.003 0.000 0.637 163 A CB -0.885 18.114 19.000 -0.001 0.000 0.827 163 A HN 0.496 nan 8.150 nan 0.000 0.450 164 E N -0.748 119.450 120.200 -0.003 0.000 2.097 164 E HA -0.223 4.126 4.350 -0.001 0.000 0.196 164 E C 2.379 178.976 176.600 -0.005 0.000 1.000 164 E CA 1.214 57.612 56.400 -0.004 0.000 0.804 164 E CB -0.283 29.415 29.700 -0.004 0.000 0.740 164 E HN 0.630 nan 8.360 nan 0.000 0.454 165 A N 1.189 124.005 122.820 -0.006 0.000 1.855 165 A HA -0.173 4.147 4.320 -0.001 0.000 0.215 165 A C 2.184 179.763 177.584 -0.009 0.000 1.191 165 A CA 1.369 53.401 52.037 -0.008 0.000 0.613 165 A CB -0.522 18.472 19.000 -0.011 0.000 0.829 165 A HN 0.164 nan 8.150 nan 0.000 0.442 166 M N -0.632 118.962 119.600 -0.010 0.000 2.192 166 M HA -0.240 4.240 4.480 -0.001 0.000 0.259 166 M C 1.729 178.024 176.300 -0.007 0.000 1.071 166 M CA 2.173 57.467 55.300 -0.010 0.000 1.082 166 M CB -0.806 31.789 32.600 -0.008 0.000 1.373 166 M HN 0.523 nan 8.290 nan 0.000 0.408 167 D N 0.106 120.503 120.400 -0.006 0.000 2.162 167 D HA -0.081 4.559 4.640 -0.001 0.000 0.203 167 D C 1.853 178.150 176.300 -0.005 0.000 0.967 167 D CA 1.260 55.257 54.000 -0.005 0.000 0.840 167 D CB 0.272 41.069 40.800 -0.004 0.000 0.972 167 D HN 0.212 nan 8.370 nan 0.000 0.482 168 K N -0.467 119.929 120.400 -0.005 0.000 2.067 168 K HA 0.015 4.335 4.320 -0.001 0.000 0.203 168 K C 2.034 178.631 176.600 -0.005 0.000 1.048 168 K CA 0.990 57.274 56.287 -0.005 0.000 0.954 168 K CB 0.059 32.556 32.500 -0.005 0.000 0.737 168 K HN 0.100 nan 8.250 nan 0.000 0.444 169 V N -1.630 118.280 119.914 -0.007 0.000 3.141 169 V HA 0.157 4.277 4.120 -0.001 0.000 0.265 169 V C 0.985 177.075 176.094 -0.008 0.000 1.126 169 V CA 0.738 63.033 62.300 -0.007 0.000 1.141 169 V CB -1.402 30.416 31.823 -0.010 0.000 0.743 169 V HN 0.438 nan 8.190 nan 0.000 0.492 170 G N 0.931 109.726 108.800 -0.007 0.000 2.527 170 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.227 170 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.227 170 G C 0.270 175.165 174.900 -0.008 0.000 1.291 170 G CA 0.264 45.360 45.100 -0.007 0.000 0.904 170 G HN 0.392 nan 8.290 nan 0.000 0.577 171 K N 0.653 121.048 120.400 -0.007 0.000 2.284 171 K HA 0.148 4.468 4.320 -0.001 0.000 0.198 171 K C 1.359 177.953 176.600 -0.010 0.000 1.048 171 K CA 1.258 57.541 56.287 -0.008 0.000 0.987 171 K CB 0.244 32.741 32.500 -0.006 0.000 0.800 171 K HN 0.559 nan 8.250 nan 0.000 0.486 172 E N 1.002 121.195 120.200 -0.010 0.000 2.569 172 E HA 0.111 4.461 4.350 -0.001 0.000 0.205 172 E C 0.193 176.785 176.600 -0.014 0.000 1.006 172 E CA -0.281 56.112 56.400 -0.012 0.000 0.985 172 E CB 1.154 30.848 29.700 -0.011 0.000 1.060 172 E HN 0.139 nan 8.360 nan 0.000 0.460 173 G N 1.102 109.894 108.800 -0.014 0.000 2.389 173 G HA2 0.419 4.378 3.960 -0.001 0.000 0.328 173 G HA3 0.419 4.378 3.960 -0.001 0.000 0.328 173 G C 0.167 175.056 174.900 -0.019 0.000 1.133 173 G CA -0.471 44.621 45.100 -0.014 0.000 0.891 173 G HN -0.015 nan 8.290 nan 0.000 0.485 174 V N 1.053 120.955 119.914 -0.019 0.000 2.686 174 V HA 0.503 4.623 4.120 -0.001 0.000 0.295 174 V C 0.137 176.216 176.094 -0.025 0.000 1.057 174 V CA -0.531 61.754 62.300 -0.025 0.000 1.012 174 V CB 1.120 32.929 31.823 -0.022 0.000 1.006 174 V HN 0.551 nan 8.190 nan 0.000 0.477 175 I N 3.081 123.630 120.570 -0.035 0.000 2.466 175 I HA 0.569 4.738 4.170 -0.001 0.000 0.289 175 I C -0.049 176.044 176.117 -0.040 0.000 1.026 175 I CA -0.166 61.113 61.300 -0.034 0.000 1.078 175 I CB 2.265 40.242 38.000 -0.039 0.000 1.249 175 I HN 0.839 nan 8.210 nan 0.000 0.429 176 T N 2.798 117.338 114.554 -0.025 0.000 2.893 176 T HA 0.690 5.039 4.350 -0.001 0.000 0.291 176 T C -0.555 174.140 174.700 -0.009 0.000 1.028 176 T CA -0.894 61.196 62.100 -0.018 0.000 0.995 176 T CB 2.135 70.999 68.868 -0.006 0.000 1.051 176 T HN 0.394 nan 8.240 nan 0.000 0.470 177 V N 1.038 120.950 119.914 -0.002 0.000 2.513 177 V HA 0.895 5.015 4.120 -0.001 0.000 0.299 177 V C -0.876 175.225 176.094 0.012 0.000 1.035 177 V CA -0.623 61.680 62.300 0.005 0.000 0.889 177 V CB 1.066 32.895 31.823 0.010 0.000 0.988 177 V HN 1.213 nan 8.190 nan 0.000 0.440 178 E N 2.678 122.884 120.200 0.010 0.000 2.430 178 E HA 0.486 4.836 4.350 -0.001 0.000 0.279 178 E C -1.710 174.896 176.600 0.010 0.000 1.003 178 E CA -1.079 55.328 56.400 0.012 0.000 0.801 178 E CB 1.247 30.953 29.700 0.010 0.000 1.313 178 E HN 0.547 nan 8.360 nan 0.000 0.459 179 D N 0.685 121.092 120.400 0.011 0.000 2.472 179 D HA 0.268 4.908 4.640 -0.001 0.000 0.237 179 D C 0.197 176.501 176.300 0.006 0.000 1.141 179 D CA 0.603 54.608 54.000 0.010 0.000 0.875 179 D CB 0.952 41.758 40.800 0.010 0.000 1.192 179 D HN 0.562 nan 8.370 nan 0.000 0.450 180 G N -0.400 108.403 108.800 0.006 0.000 2.511 180 G HA2 0.392 4.352 3.960 -0.001 0.000 0.316 180 G HA3 0.392 4.352 3.960 -0.001 0.000 0.316 180 G C 0.984 175.886 174.900 0.003 0.000 1.210 180 G CA -0.232 44.870 45.100 0.004 0.000 0.969 180 G HN 0.426 nan 8.290 nan 0.000 0.492 181 T N -1.543 113.012 114.554 0.002 0.000 2.866 181 T HA 0.232 4.582 4.350 -0.001 0.000 0.250 181 T C 1.597 176.298 174.700 0.001 0.000 1.033 181 T CA 0.980 63.081 62.100 0.001 0.000 1.145 181 T CB -0.403 68.465 68.868 -0.000 0.000 0.866 181 T HN 0.711 nan 8.240 nan 0.000 0.434 182 G N 0.592 109.393 108.800 0.001 0.000 2.714 182 G HA2 0.540 4.499 3.960 -0.001 0.000 0.197 182 G HA3 0.540 4.499 3.960 -0.001 0.000 0.197 182 G C 0.538 175.439 174.900 0.002 0.000 1.449 182 G CA -0.533 44.568 45.100 0.001 0.000 1.065 182 G HN 0.303 nan 8.290 nan 0.000 0.575 183 L N -0.485 120.738 121.223 0.001 0.000 2.408 183 L HA 0.162 4.502 4.340 -0.001 0.000 0.215 183 L C 0.467 177.338 176.870 0.001 0.000 1.081 183 L CA 0.460 55.300 54.840 0.001 0.000 0.840 183 L CB -0.233 41.827 42.059 0.001 0.000 1.002 183 L HN 0.408 nan 8.230 nan 0.000 0.468 184 Q N 0.226 120.026 119.800 0.001 0.000 2.230 184 Q HA 0.261 4.600 4.340 -0.001 0.000 0.248 184 Q C -0.673 175.328 176.000 0.001 0.000 0.915 184 Q CA -0.474 55.330 55.803 0.001 0.000 0.900 184 Q CB 0.528 29.266 28.738 -0.000 0.000 1.229 184 Q HN -0.015 nan 8.270 nan 0.000 0.439 185 D N 1.506 121.907 120.400 0.001 0.000 2.399 185 D HA 0.077 4.717 4.640 -0.001 0.000 0.241 185 D C -0.403 175.897 176.300 0.000 0.000 1.133 185 D CA 0.219 54.219 54.000 0.001 0.000 0.890 185 D CB 0.890 41.691 40.800 0.002 0.000 1.201 185 D HN 0.638 nan 8.370 nan 0.000 0.432 186 E N 1.253 121.453 120.200 0.000 0.000 2.290 186 E HA 0.375 4.724 4.350 -0.001 0.000 0.274 186 E C -1.834 174.765 176.600 -0.002 0.000 0.889 186 E CA -0.856 55.544 56.400 -0.001 0.000 0.760 186 E CB 1.627 31.326 29.700 -0.001 0.000 1.206 186 E HN 0.185 nan 8.360 nan 0.000 0.419 187 L N 4.138 125.360 121.223 -0.003 0.000 2.298 187 L HA 0.500 4.839 4.340 -0.001 0.000 0.284 187 L C -1.386 175.482 176.870 -0.004 0.000 1.013 187 L CA -0.250 54.587 54.840 -0.003 0.000 0.824 187 L CB 1.286 43.343 42.059 -0.004 0.000 1.221 187 L HN 0.470 nan 8.230 nan 0.000 0.418 188 D N 3.974 124.371 120.400 -0.004 0.000 2.168 188 D HA 0.521 5.161 4.640 -0.001 0.000 0.246 188 D C -0.947 175.350 176.300 -0.005 0.000 1.050 188 D CA 0.039 54.036 54.000 -0.005 0.000 0.857 188 D CB 2.430 43.227 40.800 -0.006 0.000 1.169 188 D HN 0.292 nan 8.370 nan 0.000 0.453 189 V N 2.662 122.573 119.914 -0.005 0.000 2.488 189 V HA 0.174 4.293 4.120 -0.001 0.000 0.293 189 V C -0.183 175.908 176.094 -0.005 0.000 1.027 189 V CA -0.825 61.472 62.300 -0.005 0.000 0.862 189 V CB 1.886 33.706 31.823 -0.005 0.000 1.008 189 V HN 0.293 nan 8.190 nan 0.000 0.428 190 V N 3.698 123.610 119.914 -0.004 0.000 2.498 190 V HA 0.413 4.533 4.120 -0.001 0.000 0.279 190 V C 0.315 176.409 176.094 -0.001 0.000 1.048 190 V CA -0.688 61.610 62.300 -0.003 0.000 0.967 190 V CB 1.254 33.076 31.823 -0.003 0.000 0.988 190 V HN 0.726 nan 8.190 nan 0.000 0.473 191 E N 3.302 123.501 120.200 -0.001 0.000 2.167 191 E HA 0.496 4.845 4.350 -0.001 0.000 0.284 191 E C 0.845 177.448 176.600 0.005 0.000 1.016 191 E CA 0.903 57.303 56.400 0.000 0.000 0.817 191 E CB 1.326 31.024 29.700 -0.002 0.000 1.080 191 E HN 1.015 nan 8.360 nan 0.000 0.397 192 G N 3.549 112.353 108.800 0.007 0.000 2.550 192 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.277 192 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.277 192 G C 0.022 174.936 174.900 0.024 0.000 1.190 192 G CA 0.360 45.467 45.100 0.012 0.000 0.971 192 G HN 0.557 nan 8.290 nan 0.000 0.559 193 M N 1.154 120.776 119.600 0.037 0.000 2.209 193 M HA 0.710 5.189 4.480 -0.001 0.000 0.355 193 M C -0.351 176.009 176.300 0.099 0.000 1.171 193 M CA -0.158 55.184 55.300 0.070 0.000 1.069 193 M CB 1.285 33.931 32.600 0.076 0.000 1.622 193 M HN 0.963 nan 8.290 nan 0.000 0.459 194 Q N 4.833 124.715 119.800 0.137 0.000 2.468 194 Q HA 0.462 4.802 4.340 -0.001 0.000 0.263 194 Q C -2.228 173.885 176.000 0.187 0.000 0.979 194 Q CA -0.752 55.116 55.803 0.109 0.000 0.932 194 Q CB 1.493 30.229 28.738 -0.003 0.000 1.462 194 Q HN 0.813 nan 8.270 nan 0.000 0.403 195 F N -0.160 119.783 119.950 -0.012 0.000 2.691 195 F HA 0.617 5.143 4.527 -0.001 0.000 0.334 195 F C -0.486 175.305 175.800 -0.015 0.000 1.107 195 F CA -1.230 56.764 58.000 -0.010 0.000 0.991 195 F CB 0.726 39.722 39.000 -0.006 0.000 1.400 195 F HN 0.416 nan 8.300 nan 0.000 0.503 196 D N 0.348 120.833 120.400 0.140 0.000 2.870 196 D HA 0.217 4.856 4.640 -0.001 0.000 0.241 196 D C -0.546 175.745 176.300 -0.016 0.000 1.234 196 D CA 0.068 54.082 54.000 0.023 0.000 0.844 196 D CB -0.144 40.695 40.800 0.065 0.000 1.051 196 D HN 0.107 nan 8.370 nan 0.000 0.469 197 R N 0.573 120.990 120.500 -0.137 0.000 2.513 197 R HA 0.604 4.943 4.340 -0.001 0.000 0.301 197 R C 0.351 176.524 176.300 -0.213 0.000 0.968 197 R CA -0.768 55.271 56.100 -0.101 0.000 0.872 197 R CB 1.646 31.994 30.300 0.079 0.000 1.177 197 R HN 0.155 nan 8.270 nan 0.000 0.444 198 G N 1.525 110.201 108.800 -0.208 0.000 2.502 198 G HA2 0.387 4.347 3.960 -0.001 0.000 0.305 198 G HA3 0.387 4.347 3.960 -0.001 0.000 0.305 198 G C -0.543 174.205 174.900 -0.253 0.000 1.190 198 G CA -0.536 44.339 45.100 -0.374 0.000 0.933 198 G HN 0.462 nan 8.290 nan 0.000 0.503 199 Y N -1.080 119.237 120.300 0.028 0.000 2.788 199 Y HA 0.180 4.730 4.550 -0.001 0.000 0.341 199 Y C 1.224 177.220 175.900 0.160 0.000 1.258 199 Y CA -0.731 57.434 58.100 0.109 0.000 1.503 199 Y CB 0.321 38.904 38.460 0.204 0.000 1.325 199 Y HN 0.203 nan 8.280 nan 0.000 0.614 200 L N 1.555 123.059 121.223 0.468 0.000 2.446 200 L HA 0.079 4.418 4.340 -0.001 0.000 0.219 200 L C 0.490 177.578 176.870 0.363 0.000 1.116 200 L CA 0.838 55.891 54.840 0.355 0.000 0.844 200 L CB -0.096 42.139 42.059 0.292 0.000 0.970 200 L HN 0.839 nan 8.230 nan 0.000 0.457 201 S N -2.456 113.511 115.700 0.444 0.000 2.575 201 S HA 0.405 4.874 4.470 -0.001 0.000 0.278 201 S C -2.417 172.163 174.600 -0.034 0.000 1.139 201 S CA -1.246 57.047 58.200 0.156 0.000 0.954 201 S CB 1.823 65.014 63.200 -0.014 0.000 1.054 201 S HN -0.241 nan 8.310 nan 0.000 0.483 202 P HA 0.021 nan 4.420 nan 0.000 0.236 202 P C 0.127 177.075 177.300 -0.587 0.000 1.172 202 P CA 0.664 63.349 63.100 -0.691 0.000 0.759 202 P CB -0.327 31.113 31.700 -0.432 0.000 0.843 203 Y N -2.660 117.431 120.300 -0.347 0.000 2.420 203 Y HA 0.015 4.565 4.550 -0.001 0.000 0.292 203 Y C 1.874 177.611 175.900 -0.272 0.000 1.119 203 Y CA 0.609 58.524 58.100 -0.309 0.000 1.229 203 Y CB -1.004 37.254 38.460 -0.337 0.000 1.026 203 Y HN -0.102 nan 8.280 nan 0.000 0.554 204 F N 0.319 120.256 119.950 -0.021 0.000 2.250 204 F HA -0.142 4.384 4.527 -0.001 0.000 0.301 204 F C 1.005 176.763 175.800 -0.069 0.000 1.077 204 F CA 0.198 58.182 58.000 -0.026 0.000 1.348 204 F CB -0.999 37.999 39.000 -0.003 0.000 1.040 204 F HN -0.152 nan 8.300 nan 0.000 0.509 205 I N 2.591 123.153 120.570 -0.014 0.000 2.907 205 I HA -0.188 3.981 4.170 -0.001 0.000 0.285 205 I C 0.920 177.037 176.117 0.000 0.000 1.189 205 I CA 0.302 61.567 61.300 -0.057 0.000 1.376 205 I CB -0.147 37.737 38.000 -0.193 0.000 1.420 205 I HN 0.205 nan 8.210 nan 0.000 0.544 206 N N 5.783 124.502 118.700 0.032 0.000 2.336 206 N HA -0.003 4.737 4.740 -0.001 0.000 0.189 206 N C -0.050 175.470 175.510 0.018 0.000 1.113 206 N CA 0.206 53.275 53.050 0.031 0.000 0.858 206 N CB 0.396 38.909 38.487 0.043 0.000 0.970 206 N HN 0.430 nan 8.380 nan 0.000 0.471 207 K N 0.866 121.274 120.400 0.013 0.000 2.701 207 K HA 0.218 4.537 4.320 -0.001 0.000 0.212 207 K C -2.235 174.368 176.600 0.004 0.000 1.035 207 K CA -1.491 54.802 56.287 0.010 0.000 1.048 207 K CB 2.421 34.930 32.500 0.015 0.000 1.234 207 K HN -0.005 nan 8.250 nan 0.000 0.540 208 P HA -0.159 nan 4.420 nan 0.000 0.222 208 P C 0.368 177.667 177.300 -0.002 0.000 1.147 208 P CA 1.196 64.289 63.100 -0.012 0.000 0.790 208 P CB 0.471 32.161 31.700 -0.018 0.000 0.780 209 E N -0.002 120.200 120.200 0.002 0.000 2.110 209 E HA -0.121 4.229 4.350 -0.001 0.000 0.193 209 E C 1.892 178.497 176.600 0.009 0.000 0.988 209 E CA 1.808 58.211 56.400 0.004 0.000 0.804 209 E CB -1.526 28.177 29.700 0.004 0.000 0.745 209 E HN 0.275 nan 8.360 nan 0.000 0.458 210 T N -1.084 113.478 114.554 0.014 0.000 3.014 210 T HA 0.160 4.509 4.350 -0.001 0.000 0.263 210 T C 1.484 176.204 174.700 0.033 0.000 1.078 210 T CA 0.695 62.807 62.100 0.020 0.000 1.135 210 T CB -0.068 68.814 68.868 0.022 0.000 0.895 210 T HN 0.427 nan 8.240 nan 0.000 0.480 211 G N 1.378 110.199 108.800 0.035 0.000 2.160 211 G HA2 0.068 4.028 3.960 -0.001 0.000 0.244 211 G HA3 0.068 4.028 3.960 -0.001 0.000 0.244 211 G C 0.028 175.001 174.900 0.121 0.000 1.022 211 G CA -0.032 45.101 45.100 0.055 0.000 0.741 211 G HN 0.977 nan 8.290 nan 0.000 0.508 212 A N -1.336 121.541 122.820 0.094 0.000 2.556 212 A HA 0.908 5.227 4.320 -0.001 0.000 0.294 212 A C -0.260 177.380 177.584 0.094 0.000 1.091 212 A CA -0.168 51.953 52.037 0.141 0.000 0.704 212 A CB 1.954 21.009 19.000 0.092 0.000 1.300 212 A HN 1.292 nan 8.150 nan 0.000 0.406 213 V N 0.924 120.912 119.914 0.124 0.000 2.539 213 V HA 0.613 4.732 4.120 -0.001 0.000 0.292 213 V C 0.128 176.251 176.094 0.048 0.000 1.045 213 V CA -0.317 62.033 62.300 0.085 0.000 0.945 213 V CB 1.374 33.266 31.823 0.115 0.000 0.993 213 V HN 0.911 nan 8.190 nan 0.000 0.464 214 E N 4.015 124.236 120.200 0.034 0.000 2.274 214 E HA 0.625 4.974 4.350 -0.001 0.000 0.269 214 E C -1.933 174.676 176.600 0.016 0.000 0.891 214 E CA -0.556 55.855 56.400 0.019 0.000 0.784 214 E CB 1.651 31.360 29.700 0.015 0.000 1.225 214 E HN 0.667 nan 8.360 nan 0.000 0.412 215 L N 2.471 123.699 121.223 0.008 0.000 2.370 215 L HA 0.611 4.950 4.340 -0.001 0.000 0.266 215 L C -0.605 176.262 176.870 -0.004 0.000 1.002 215 L CA -1.031 53.813 54.840 0.007 0.000 0.818 215 L CB 2.152 44.217 42.059 0.009 0.000 1.325 215 L HN 0.466 nan 8.230 nan 0.000 0.418 216 E N 0.312 120.508 120.200 -0.007 0.000 2.222 216 E HA 0.447 4.796 4.350 -0.001 0.000 0.267 216 E C -0.456 176.121 176.600 -0.038 0.000 0.884 216 E CA -0.868 55.520 56.400 -0.020 0.000 0.764 216 E CB 1.843 31.535 29.700 -0.014 0.000 1.169 216 E HN 0.602 nan 8.360 nan 0.000 0.413 217 S N 1.092 116.754 115.700 -0.064 0.000 3.614 217 S HA -0.123 4.346 4.470 -0.001 0.000 0.360 217 S C -2.263 172.233 174.600 -0.173 0.000 1.023 217 S CA 0.472 58.600 58.200 -0.119 0.000 1.114 217 S CB -1.542 61.592 63.200 -0.111 0.000 0.907 217 S HN 0.477 nan 8.310 nan 0.000 0.470 218 P HA 0.510 nan 4.420 nan 0.000 0.282 218 P C 0.108 177.331 177.300 -0.130 0.000 1.249 218 P CA -0.619 62.438 63.100 -0.072 0.000 0.806 218 P CB 0.431 32.128 31.700 -0.005 0.000 0.984 219 F N 1.571 121.523 119.950 0.004 0.000 2.410 219 F HA 0.297 4.824 4.527 -0.001 0.000 0.334 219 F C 1.067 176.869 175.800 0.003 0.000 1.134 219 F CA 0.285 58.287 58.000 0.004 0.000 1.227 219 F CB 0.284 39.287 39.000 0.004 0.000 1.194 219 F HN 0.085 nan 8.300 nan 0.000 0.571 220 I N 3.660 124.355 120.570 0.208 0.000 2.447 220 I HA 0.245 4.414 4.170 -0.001 0.000 0.287 220 I C -1.268 174.910 176.117 0.101 0.000 1.023 220 I CA -0.833 60.537 61.300 0.118 0.000 1.083 220 I CB 1.758 39.804 38.000 0.076 0.000 1.245 220 I HN 0.250 nan 8.210 nan 0.000 0.434 221 L N 8.107 129.373 121.223 0.072 0.000 2.257 221 L HA 0.493 4.833 4.340 -0.001 0.000 0.290 221 L C -0.884 176.006 176.870 0.034 0.000 1.044 221 L CA -0.090 54.777 54.840 0.046 0.000 0.810 221 L CB 0.660 42.738 42.059 0.032 0.000 1.193 221 L HN 0.458 nan 8.230 nan 0.000 0.425 222 L N 6.168 127.406 121.223 0.026 0.000 2.277 222 L HA 0.688 5.027 4.340 -0.001 0.000 0.284 222 L C -0.026 176.849 176.870 0.008 0.000 1.028 222 L CA -0.525 54.323 54.840 0.013 0.000 0.835 222 L CB 1.193 43.254 42.059 0.003 0.000 1.215 222 L HN 0.770 nan 8.230 nan 0.000 0.425 223 A N 1.922 124.748 122.820 0.010 0.000 2.285 223 A HA 0.335 4.654 4.320 -0.001 0.000 0.310 223 A C -0.408 177.181 177.584 0.007 0.000 1.266 223 A CA -0.533 51.510 52.037 0.010 0.000 0.832 223 A CB 0.778 19.787 19.000 0.016 0.000 1.163 223 A HN 0.691 nan 8.150 nan 0.000 0.499 224 D N 2.802 123.203 120.400 0.002 0.000 2.713 224 D HA 0.348 4.988 4.640 -0.001 0.000 0.229 224 D C -0.040 176.265 176.300 0.007 0.000 1.136 224 D CA 0.334 54.334 54.000 -0.000 0.000 1.010 224 D CB -0.598 40.197 40.800 -0.008 0.000 1.084 224 D HN 0.606 nan 8.370 nan 0.000 0.495 225 K N -0.369 120.040 120.400 0.015 0.000 2.774 225 K HA 0.207 4.526 4.320 -0.001 0.000 0.283 225 K C -1.054 175.562 176.600 0.026 0.000 1.050 225 K CA -1.150 55.149 56.287 0.019 0.000 0.872 225 K CB 0.605 33.114 32.500 0.015 0.000 1.434 225 K HN -0.180 nan 8.250 nan 0.000 0.372 226 K N 1.662 122.080 120.400 0.030 0.000 2.414 226 K HA 0.194 4.514 4.320 -0.001 0.000 0.272 226 K C -0.267 176.353 176.600 0.033 0.000 0.993 226 K CA 0.066 56.374 56.287 0.035 0.000 0.964 226 K CB 0.311 32.831 32.500 0.034 0.000 0.925 226 K HN 0.405 nan 8.250 nan 0.000 0.487 227 I N 2.283 122.876 120.570 0.039 0.000 2.420 227 I HA 0.034 4.204 4.170 -0.001 0.000 0.282 227 I C 0.274 176.415 176.117 0.040 0.000 1.019 227 I CA -0.070 61.253 61.300 0.038 0.000 1.130 227 I CB 1.739 39.765 38.000 0.044 0.000 1.262 227 I HN 0.665 nan 8.210 nan 0.000 0.454 228 S N 3.476 119.196 115.700 0.032 0.000 2.591 228 S HA 0.193 4.662 4.470 -0.001 0.000 0.235 228 S C 0.729 175.346 174.600 0.027 0.000 1.074 228 S CA -0.020 58.199 58.200 0.030 0.000 0.925 228 S CB 0.257 63.472 63.200 0.025 0.000 0.818 228 S HN 0.572 nan 8.310 nan 0.000 0.535 229 N N 2.092 120.806 118.700 0.023 0.000 2.434 229 N HA 0.270 5.009 4.740 -0.001 0.000 0.272 229 N C 0.384 175.906 175.510 0.020 0.000 1.040 229 N CA -0.073 52.988 53.050 0.018 0.000 0.956 229 N CB 1.418 39.913 38.487 0.014 0.000 1.108 229 N HN 0.148 nan 8.380 nan 0.000 0.481 230 I N 3.271 123.852 120.570 0.019 0.000 2.676 230 I HA -0.191 3.979 4.170 -0.001 0.000 0.259 230 I C 1.817 177.942 176.117 0.014 0.000 1.194 230 I CA 0.791 62.103 61.300 0.020 0.000 1.473 230 I CB 0.182 38.194 38.000 0.020 0.000 1.096 230 I HN 0.455 nan 8.210 nan 0.000 0.443 231 R N 0.951 121.457 120.500 0.010 0.000 2.113 231 R HA -0.241 4.099 4.340 -0.001 0.000 0.244 231 R C 1.755 178.059 176.300 0.005 0.000 1.142 231 R CA 1.919 58.023 56.100 0.006 0.000 0.953 231 R CB -0.875 29.428 30.300 0.005 0.000 0.860 231 R HN 0.488 nan 8.270 nan 0.000 0.438 232 E N 0.277 120.482 120.200 0.008 0.000 2.267 232 E HA -0.157 4.193 4.350 -0.001 0.000 0.197 232 E C 1.870 178.473 176.600 0.005 0.000 0.998 232 E CA 0.932 57.336 56.400 0.006 0.000 0.830 232 E CB -0.031 29.675 29.700 0.010 0.000 0.751 232 E HN 0.342 nan 8.360 nan 0.000 0.491 233 M N -0.187 119.417 119.600 0.007 0.000 2.429 233 M HA 0.053 4.532 4.480 -0.001 0.000 0.265 233 M C 2.284 178.583 176.300 -0.002 0.000 1.120 233 M CA 0.624 55.927 55.300 0.006 0.000 1.173 233 M CB -0.652 31.958 32.600 0.016 0.000 1.343 233 M HN 0.116 nan 8.290 nan 0.000 0.464 234 L N 1.030 122.253 121.223 -0.001 0.000 2.011 234 L HA -0.262 4.077 4.340 -0.001 0.000 0.225 234 L C -0.411 176.450 176.870 -0.014 0.000 1.084 234 L CA 2.114 56.951 54.840 -0.005 0.000 0.791 234 L CB -2.466 39.591 42.059 -0.003 0.000 0.898 234 L HN 0.171 nan 8.230 nan 0.000 0.440 235 P HA -0.154 nan 4.420 nan 0.000 0.217 235 P C 1.718 178.996 177.300 -0.037 0.000 1.148 235 P CA 1.554 64.640 63.100 -0.023 0.000 0.828 235 P CB 0.027 31.715 31.700 -0.021 0.000 0.783 236 V N 0.059 119.950 119.914 -0.038 0.000 2.341 236 V HA -0.111 4.008 4.120 -0.001 0.000 0.240 236 V C 2.780 178.835 176.094 -0.064 0.000 1.035 236 V CA 1.007 63.272 62.300 -0.058 0.000 1.033 236 V CB -1.317 30.478 31.823 -0.047 0.000 0.678 236 V HN -0.049 nan 8.190 nan 0.000 0.464 237 L N 0.246 121.447 121.223 -0.036 0.000 2.197 237 L HA -0.254 4.086 4.340 -0.001 0.000 0.215 237 L C 2.483 179.336 176.870 -0.030 0.000 1.095 237 L CA 1.766 56.592 54.840 -0.023 0.000 0.764 237 L CB -0.617 41.442 42.059 -0.000 0.000 0.897 237 L HN 0.503 nan 8.230 nan 0.000 0.436 238 E N -0.337 119.843 120.200 -0.035 0.000 2.216 238 E HA -0.018 4.332 4.350 -0.001 0.000 0.192 238 E C 2.332 178.903 176.600 -0.048 0.000 0.973 238 E CA 0.744 57.126 56.400 -0.031 0.000 0.851 238 E CB -0.026 29.660 29.700 -0.023 0.000 0.804 238 E HN 0.459 nan 8.360 nan 0.000 0.477 239 A N 1.411 124.188 122.820 -0.072 0.000 1.972 239 A HA -0.121 4.198 4.320 -0.001 0.000 0.219 239 A C 2.436 179.932 177.584 -0.147 0.000 1.169 239 A CA 1.065 53.040 52.037 -0.104 0.000 0.635 239 A CB -0.457 18.467 19.000 -0.126 0.000 0.810 239 A HN 0.102 nan 8.150 nan 0.000 0.446 240 V N -0.573 119.247 119.914 -0.156 0.000 2.488 240 V HA -0.099 4.020 4.120 -0.001 0.000 0.246 240 V C 2.909 178.983 176.094 -0.034 0.000 1.046 240 V CA 1.443 63.651 62.300 -0.154 0.000 1.053 240 V CB -1.187 30.560 31.823 -0.126 0.000 0.679 240 V HN 0.551 nan 8.190 nan 0.000 0.458 241 A N -0.424 122.383 122.820 -0.020 0.000 2.019 241 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 241 A C 2.332 179.921 177.584 0.008 0.000 1.164 241 A CA 1.678 53.718 52.037 0.006 0.000 0.644 241 A CB -0.371 18.631 19.000 0.003 0.000 0.805 241 A HN 0.477 nan 8.150 nan 0.000 0.449 242 K N -0.794 119.602 120.400 -0.007 0.000 2.167 242 K HA 0.091 4.411 4.320 -0.001 0.000 0.203 242 K C 2.004 178.615 176.600 0.018 0.000 1.052 242 K CA 0.851 57.138 56.287 0.000 0.000 0.956 242 K CB -0.113 32.379 32.500 -0.014 0.000 0.735 242 K HN 0.424 nan 8.250 nan 0.000 0.451 243 A N 0.219 123.055 122.820 0.027 0.000 2.169 243 A HA 0.125 4.445 4.320 -0.001 0.000 0.212 243 A C 1.295 178.947 177.584 0.113 0.000 1.153 243 A CA 0.972 53.061 52.037 0.086 0.000 0.756 243 A CB -0.267 18.818 19.000 0.141 0.000 0.813 243 A HN 0.411 nan 8.150 nan 0.000 0.471 244 G N -0.646 108.206 108.800 0.087 0.000 2.179 244 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.257 244 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.257 244 G C 0.117 175.077 174.900 0.099 0.000 1.010 244 G CA 0.837 45.983 45.100 0.078 0.000 0.736 244 G HN 0.600 nan 8.290 nan 0.000 0.513 245 K N 0.663 121.161 120.400 0.162 0.000 2.208 245 K HA 0.565 4.884 4.320 -0.001 0.000 0.247 245 K C -2.067 174.637 176.600 0.172 0.000 0.953 245 K CA -2.023 54.365 56.287 0.169 0.000 0.837 245 K CB 2.261 34.900 32.500 0.231 0.000 1.131 245 K HN 0.049 nan 8.250 nan 0.000 0.431 246 P HA 0.149 nan 4.420 nan 0.000 0.275 246 P C -1.248 176.134 177.300 0.138 0.000 1.266 246 P CA -0.516 62.644 63.100 0.101 0.000 0.793 246 P CB 0.629 32.364 31.700 0.059 0.000 1.074 247 L N 0.572 121.853 121.223 0.097 0.000 2.464 247 L HA 0.500 4.839 4.340 -0.001 0.000 0.266 247 L C -1.497 175.392 176.870 0.031 0.000 0.965 247 L CA -0.983 53.918 54.840 0.102 0.000 0.833 247 L CB 1.683 43.800 42.059 0.097 0.000 1.296 247 L HN 0.133 nan 8.230 nan 0.000 0.405 248 L N 5.682 126.927 121.223 0.036 0.000 2.307 248 L HA 0.642 4.982 4.340 -0.001 0.000 0.282 248 L C -1.037 175.837 176.870 0.006 0.000 1.051 248 L CA -0.124 54.712 54.840 -0.006 0.000 0.804 248 L CB 1.223 43.292 42.059 0.016 0.000 1.197 248 L HN 0.472 nan 8.230 nan 0.000 0.431 249 I N 7.010 127.563 120.570 -0.028 0.000 2.390 249 I HA 0.311 4.480 4.170 -0.001 0.000 0.283 249 I C -0.465 175.666 176.117 0.024 0.000 1.016 249 I CA -0.246 61.055 61.300 0.001 0.000 1.151 249 I CB 1.082 39.078 38.000 -0.007 0.000 1.293 249 I HN 0.529 nan 8.210 nan 0.000 0.458 250 I N 5.777 126.375 120.570 0.047 0.000 2.371 250 I HA 0.542 4.712 4.170 -0.001 0.000 0.282 250 I C 0.452 176.593 176.117 0.040 0.000 1.031 250 I CA -0.055 61.285 61.300 0.068 0.000 1.180 250 I CB 1.290 39.343 38.000 0.089 0.000 1.336 250 I HN 0.643 nan 8.210 nan 0.000 0.467 251 A N 4.268 127.116 122.820 0.047 0.000 2.344 251 A HA 0.455 4.775 4.320 -0.001 0.000 0.307 251 A C 1.016 178.625 177.584 0.042 0.000 1.151 251 A CA -0.534 51.525 52.037 0.037 0.000 0.842 251 A CB 1.040 20.064 19.000 0.040 0.000 1.350 251 A HN 0.718 nan 8.150 nan 0.000 0.459 252 E N -0.739 119.483 120.200 0.036 0.000 2.209 252 E HA -0.149 4.201 4.350 -0.001 0.000 0.196 252 E C -0.330 176.303 176.600 0.055 0.000 0.993 252 E CA 1.700 58.126 56.400 0.043 0.000 0.819 252 E CB 0.122 29.844 29.700 0.038 0.000 0.745 252 E HN 0.626 nan 8.360 nan 0.000 0.477 253 D N -2.353 118.081 120.400 0.056 0.000 2.783 253 D HA 0.113 4.753 4.640 -0.001 0.000 0.253 253 D C -1.998 174.343 176.300 0.067 0.000 1.206 253 D CA -0.504 53.535 54.000 0.064 0.000 0.740 253 D CB 1.597 42.432 40.800 0.059 0.000 1.313 253 D HN -0.137 nan 8.370 nan 0.000 0.427 254 V N 2.590 122.553 119.914 0.083 0.000 2.380 254 V HA 0.438 4.558 4.120 -0.001 0.000 0.286 254 V C 0.273 176.423 176.094 0.093 0.000 1.015 254 V CA -0.599 61.757 62.300 0.092 0.000 0.834 254 V CB 1.285 33.180 31.823 0.120 0.000 1.009 254 V HN 0.447 nan 8.190 nan 0.000 0.428 255 E N 2.518 122.761 120.200 0.072 0.000 2.790 255 E HA 0.460 4.810 4.350 -0.001 0.000 0.256 255 E C 1.455 178.090 176.600 0.059 0.000 1.246 255 E CA -0.040 56.397 56.400 0.061 0.000 1.041 255 E CB 0.689 30.417 29.700 0.046 0.000 1.272 255 E HN 0.623 nan 8.360 nan 0.000 0.603 256 G N 0.784 109.612 108.800 0.046 0.000 2.863 256 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.217 256 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.217 256 G C 1.259 176.178 174.900 0.031 0.000 1.315 256 G CA 1.113 46.235 45.100 0.036 0.000 0.796 256 G HN 0.537 nan 8.290 nan 0.000 0.669 257 E N 0.812 121.027 120.200 0.026 0.000 2.048 257 E HA -0.228 4.121 4.350 -0.001 0.000 0.202 257 E C 2.972 179.587 176.600 0.025 0.000 1.021 257 E CA 1.670 58.082 56.400 0.020 0.000 0.825 257 E CB -0.669 29.042 29.700 0.017 0.000 0.756 257 E HN 0.310 nan 8.360 nan 0.000 0.454 258 A N 1.197 124.039 122.820 0.036 0.000 1.841 258 A HA -0.205 4.115 4.320 -0.001 0.000 0.216 258 A C 2.311 179.933 177.584 0.063 0.000 1.199 258 A CA 1.744 53.809 52.037 0.047 0.000 0.621 258 A CB -1.063 17.969 19.000 0.053 0.000 0.835 258 A HN 0.327 nan 8.150 nan 0.000 0.445 259 L N -0.122 121.149 121.223 0.081 0.000 1.963 259 L HA -0.221 4.118 4.340 -0.001 0.000 0.220 259 L C 2.781 179.683 176.870 0.052 0.000 1.076 259 L CA 2.667 57.573 54.840 0.111 0.000 0.772 259 L CB -1.210 40.921 42.059 0.120 0.000 0.892 259 L HN 0.465 nan 8.230 nan 0.000 0.435 260 A N -1.712 121.119 122.820 0.018 0.000 1.894 260 A HA -0.373 3.947 4.320 -0.001 0.000 0.220 260 A C 2.301 179.859 177.584 -0.043 0.000 1.237 260 A CA 3.262 55.281 52.037 -0.029 0.000 0.660 260 A CB -1.575 17.412 19.000 -0.021 0.000 0.835 260 A HN 0.592 nan 8.150 nan 0.000 0.461 261 T N 0.048 114.595 114.554 -0.011 0.000 2.746 261 T HA -0.089 4.260 4.350 -0.001 0.000 0.267 261 T C 1.829 176.532 174.700 0.005 0.000 1.039 261 T CA 1.367 63.462 62.100 -0.010 0.000 1.142 261 T CB -0.381 68.489 68.868 0.005 0.000 0.866 261 T HN 0.358 nan 8.240 nan 0.000 0.444 262 L N 0.739 121.991 121.223 0.048 0.000 2.012 262 L HA -0.143 4.196 4.340 -0.001 0.000 0.210 262 L C 2.633 179.541 176.870 0.063 0.000 1.073 262 L CA 1.175 56.082 54.840 0.111 0.000 0.748 262 L CB -0.570 41.627 42.059 0.231 0.000 0.891 262 L HN 0.172 nan 8.230 nan 0.000 0.431 263 V N -0.760 119.114 119.914 -0.067 0.000 2.332 263 V HA -0.266 3.854 4.120 -0.001 0.000 0.248 263 V C 2.381 178.353 176.094 -0.203 0.000 1.055 263 V CA 1.684 63.823 62.300 -0.268 0.000 1.038 263 V CB -0.399 31.222 31.823 -0.337 0.000 0.651 263 V HN 0.255 nan 8.190 nan 0.000 0.450 264 V N 0.632 120.457 119.914 -0.148 0.000 2.407 264 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 264 V C 1.996 178.049 176.094 -0.068 0.000 1.055 264 V CA 2.345 64.571 62.300 -0.123 0.000 1.049 264 V CB -1.113 30.654 31.823 -0.094 0.000 0.662 264 V HN 0.644 nan 8.190 nan 0.000 0.455 265 N N 0.479 119.163 118.700 -0.027 0.000 2.250 265 N HA -0.130 4.610 4.740 -0.001 0.000 0.181 265 N C 1.995 177.519 175.510 0.024 0.000 1.017 265 N CA 1.581 54.635 53.050 0.005 0.000 0.866 265 N CB -0.168 38.336 38.487 0.028 0.000 0.985 265 N HN 0.669 nan 8.380 nan 0.000 0.429 266 T N -0.424 114.159 114.554 0.047 0.000 2.857 266 T HA -0.071 4.279 4.350 -0.001 0.000 0.266 266 T C 1.930 176.650 174.700 0.033 0.000 1.048 266 T CA 0.587 62.736 62.100 0.081 0.000 1.139 266 T CB -0.203 68.781 68.868 0.193 0.000 0.874 266 T HN -0.021 nan 8.240 nan 0.000 0.455 267 M N 1.470 121.057 119.600 -0.022 0.000 2.082 267 M HA 0.012 4.492 4.480 -0.001 0.000 0.258 267 M C 2.314 178.600 176.300 -0.024 0.000 1.071 267 M CA 1.660 56.933 55.300 -0.045 0.000 1.103 267 M CB -0.380 32.151 32.600 -0.115 0.000 1.307 267 M HN 0.045 nan 8.290 nan 0.000 0.409 268 R N -0.328 120.156 120.500 -0.026 0.000 2.346 268 R HA 0.087 4.426 4.340 -0.001 0.000 0.199 268 R C 0.742 177.041 176.300 -0.002 0.000 1.015 268 R CA 0.631 56.720 56.100 -0.018 0.000 1.058 268 R CB -0.669 29.618 30.300 -0.022 0.000 0.921 268 R HN 0.751 nan 8.270 nan 0.000 0.475 269 G N 0.911 109.716 108.800 0.008 0.000 2.176 269 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.252 269 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.252 269 G C 0.618 175.530 174.900 0.019 0.000 1.024 269 G CA 0.230 45.340 45.100 0.017 0.000 0.755 269 G HN 0.318 nan 8.290 nan 0.000 0.507 270 I N -1.096 119.486 120.570 0.020 0.000 2.185 270 I HA 0.094 4.263 4.170 -0.001 0.000 0.235 270 I C 1.034 177.169 176.117 0.029 0.000 1.069 270 I CA 1.286 62.598 61.300 0.020 0.000 1.354 270 I CB -0.149 37.861 38.000 0.016 0.000 1.093 270 I HN 0.081 nan 8.210 nan 0.000 0.411 271 V N 0.711 120.649 119.914 0.041 0.000 2.686 271 V HA 0.260 4.380 4.120 -0.001 0.000 0.306 271 V C -0.649 175.487 176.094 0.070 0.000 1.065 271 V CA -1.060 61.270 62.300 0.051 0.000 0.894 271 V CB 1.712 33.562 31.823 0.046 0.000 1.004 271 V HN 0.096 nan 8.190 nan 0.000 0.424 272 K N 2.932 123.375 120.400 0.071 0.000 2.363 272 K HA 0.551 4.870 4.320 -0.001 0.000 0.289 272 K C -0.673 175.977 176.600 0.084 0.000 1.063 272 K CA 0.301 56.636 56.287 0.081 0.000 0.967 272 K CB 0.594 33.133 32.500 0.066 0.000 0.987 272 K HN 0.534 nan 8.250 nan 0.000 0.473 273 V N 1.376 121.357 119.914 0.111 0.000 3.078 273 V HA 0.871 4.990 4.120 -0.001 0.000 0.311 273 V C -0.890 175.159 176.094 -0.075 0.000 1.138 273 V CA -1.116 61.218 62.300 0.057 0.000 1.007 273 V CB 2.141 34.020 31.823 0.094 0.000 1.045 273 V HN 0.746 nan 8.190 nan 0.000 0.432 274 A N 1.430 124.020 122.820 -0.384 0.000 2.587 274 A HA 1.054 5.374 4.320 -0.001 0.000 0.293 274 A C -0.904 176.206 177.584 -0.791 0.000 1.087 274 A CA -0.137 51.284 52.037 -1.026 0.000 0.692 274 A CB 2.030 20.739 19.000 -0.485 0.000 1.291 274 A HN 1.998 nan 8.150 nan 0.000 0.407 275 A N 0.021 122.271 122.820 -0.950 0.000 2.515 275 A HA 0.880 5.200 4.320 -0.001 0.000 0.298 275 A C -0.900 176.638 177.584 -0.077 0.000 1.059 275 A CA -0.073 51.786 52.037 -0.297 0.000 0.698 275 A CB 1.503 20.448 19.000 -0.091 0.000 1.289 275 A HN 2.323 nan 8.150 nan 0.000 0.404 276 V N -1.021 118.904 119.914 0.018 0.000 3.000 276 V HA 0.518 4.638 4.120 -0.001 0.000 0.300 276 V C -0.493 175.671 176.094 0.116 0.000 1.251 276 V CA -1.280 61.061 62.300 0.068 0.000 0.972 276 V CB 1.095 32.944 31.823 0.042 0.000 1.065 276 V HN 0.948 nan 8.190 nan 0.000 0.431 277 K N 1.761 122.232 120.400 0.119 0.000 2.344 277 K HA 0.578 4.898 4.320 -0.001 0.000 0.260 277 K C 0.633 177.336 176.600 0.172 0.000 0.988 277 K CA 0.513 56.874 56.287 0.124 0.000 0.909 277 K CB 0.653 33.214 32.500 0.102 0.000 0.968 277 K HN 1.154 nan 8.250 nan 0.000 0.505 278 A N 2.934 125.817 122.820 0.105 0.000 2.351 278 A HA 0.283 4.602 4.320 -0.001 0.000 0.257 278 A C -2.170 175.441 177.584 0.045 0.000 1.087 278 A CA -1.239 50.821 52.037 0.039 0.000 0.798 278 A CB -0.212 18.789 19.000 0.001 0.000 1.033 278 A HN 0.447 nan 8.150 nan 0.000 0.488 279 P HA 0.387 nan 4.420 nan 0.000 0.276 279 P C 0.718 178.030 177.300 0.020 0.000 1.230 279 P CA 1.391 64.466 63.100 -0.042 0.000 0.776 279 P CB 0.628 32.136 31.700 -0.319 0.000 0.888 280 G N 2.695 111.558 108.800 0.105 0.000 2.682 280 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.256 280 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.256 280 G C -0.522 174.534 174.900 0.260 0.000 1.333 280 G CA 0.298 45.505 45.100 0.179 0.000 0.904 280 G HN 0.698 nan 8.290 nan 0.000 0.569 281 F N -2.387 117.574 119.950 0.018 0.000 2.922 281 F HA 0.847 5.373 4.527 -0.001 0.000 0.345 281 F C 1.306 177.116 175.800 0.016 0.000 1.209 281 F CA 0.225 58.235 58.000 0.017 0.000 1.018 281 F CB 0.566 39.579 39.000 0.022 0.000 1.472 281 F HN 2.379 nan 8.300 nan 0.000 0.521 282 G N 0.832 109.482 108.800 -0.249 0.000 2.611 282 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.301 282 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.301 282 G C 0.444 175.222 174.900 -0.202 0.000 1.233 282 G CA 0.762 45.649 45.100 -0.355 0.000 0.993 282 G HN 0.860 nan 8.290 nan 0.000 0.553 283 D N 0.980 121.251 120.400 -0.215 0.000 2.183 283 D HA -0.023 4.617 4.640 -0.001 0.000 0.205 283 D C 2.631 178.865 176.300 -0.111 0.000 0.962 283 D CA 1.232 55.156 54.000 -0.126 0.000 0.849 283 D CB -0.042 40.696 40.800 -0.104 0.000 0.978 283 D HN 0.622 nan 8.370 nan 0.000 0.488 284 R N 1.437 121.855 120.500 -0.136 0.000 2.120 284 R HA -0.047 4.292 4.340 -0.001 0.000 0.234 284 R C 2.299 178.545 176.300 -0.091 0.000 1.123 284 R CA 0.600 56.636 56.100 -0.107 0.000 0.975 284 R CB -0.485 29.748 30.300 -0.112 0.000 0.866 284 R HN 0.055 nan 8.270 nan 0.000 0.446 285 R N 2.089 122.539 120.500 -0.085 0.000 2.143 285 R HA -0.225 4.114 4.340 -0.001 0.000 0.239 285 R C 1.737 177.995 176.300 -0.069 0.000 1.126 285 R CA 2.408 58.471 56.100 -0.062 0.000 0.927 285 R CB -0.171 30.115 30.300 -0.024 0.000 0.860 285 R HN 0.285 nan 8.270 nan 0.000 0.433 286 K N -0.194 120.172 120.400 -0.057 0.000 2.063 286 K HA -0.126 4.194 4.320 -0.001 0.000 0.208 286 K C 2.215 178.781 176.600 -0.056 0.000 1.048 286 K CA 1.515 57.772 56.287 -0.050 0.000 0.928 286 K CB -0.241 32.236 32.500 -0.039 0.000 0.713 286 K HN 0.317 nan 8.250 nan 0.000 0.442 287 A N 1.419 124.203 122.820 -0.061 0.000 1.902 287 A HA -0.141 4.179 4.320 -0.001 0.000 0.217 287 A C 2.150 179.691 177.584 -0.071 0.000 1.181 287 A CA 1.413 53.414 52.037 -0.060 0.000 0.623 287 A CB -0.416 18.548 19.000 -0.060 0.000 0.818 287 A HN 0.224 nan 8.150 nan 0.000 0.443 288 M N -1.062 118.485 119.600 -0.088 0.000 2.200 288 M HA 0.017 4.496 4.480 -0.001 0.000 0.265 288 M C 2.114 178.328 176.300 -0.143 0.000 1.066 288 M CA 1.078 56.310 55.300 -0.114 0.000 1.127 288 M CB -0.175 32.348 32.600 -0.128 0.000 1.379 288 M HN 0.485 nan 8.290 nan 0.000 0.420 289 L N 0.059 121.201 121.223 -0.134 0.000 2.083 289 L HA -0.269 4.070 4.340 -0.001 0.000 0.209 289 L C 2.475 179.291 176.870 -0.090 0.000 1.083 289 L CA 1.362 56.123 54.840 -0.131 0.000 0.752 289 L CB -0.297 41.705 42.059 -0.095 0.000 0.899 289 L HN 0.336 nan 8.230 nan 0.000 0.433 290 Q N 0.252 120.010 119.800 -0.070 0.000 2.135 290 Q HA -0.251 4.088 4.340 -0.001 0.000 0.204 290 Q C 1.631 177.601 176.000 -0.050 0.000 0.981 290 Q CA 2.086 57.859 55.803 -0.050 0.000 0.856 290 Q CB -0.239 28.474 28.738 -0.043 0.000 0.902 290 Q HN 0.442 nan 8.270 nan 0.000 0.425 291 D N -0.096 120.266 120.400 -0.064 0.000 2.106 291 D HA -0.190 4.450 4.640 -0.001 0.000 0.191 291 D C 1.899 178.168 176.300 -0.052 0.000 0.997 291 D CA 1.736 55.701 54.000 -0.058 0.000 0.834 291 D CB -0.332 40.425 40.800 -0.072 0.000 0.956 291 D HN 0.408 nan 8.370 nan 0.000 0.448 292 I N 1.106 121.631 120.570 -0.075 0.000 2.208 292 I HA -0.276 3.894 4.170 -0.001 0.000 0.245 292 I C 2.513 178.614 176.117 -0.026 0.000 1.097 292 I CA 1.017 62.282 61.300 -0.057 0.000 1.363 292 I CB -0.340 37.598 38.000 -0.103 0.000 1.051 292 I HN -0.071 nan 8.210 nan 0.000 0.413 293 A N 0.976 123.779 122.820 -0.028 0.000 1.859 293 A HA -0.261 4.058 4.320 -0.001 0.000 0.217 293 A C 2.428 180.008 177.584 -0.006 0.000 1.198 293 A CA 2.879 54.909 52.037 -0.011 0.000 0.629 293 A CB -1.344 17.648 19.000 -0.014 0.000 0.830 293 A HN 0.405 nan 8.150 nan 0.000 0.446 294 T N 0.470 115.016 114.554 -0.013 0.000 2.635 294 T HA -0.166 4.184 4.350 -0.001 0.000 0.267 294 T C 1.826 176.522 174.700 -0.006 0.000 1.040 294 T CA 1.411 63.505 62.100 -0.010 0.000 1.156 294 T CB -0.421 68.438 68.868 -0.015 0.000 0.863 294 T HN 0.259 nan 8.240 nan 0.000 0.430 295 L N 1.683 122.901 121.223 -0.007 0.000 2.127 295 L HA -0.084 4.255 4.340 -0.001 0.000 0.211 295 L C 2.319 179.189 176.870 0.000 0.000 1.089 295 L CA 2.308 57.146 54.840 -0.003 0.000 0.757 295 L CB -1.248 40.812 42.059 0.001 0.000 0.899 295 L HN 0.532 nan 8.230 nan 0.000 0.434 296 T N -4.722 109.834 114.554 0.003 0.000 3.044 296 T HA 0.277 4.627 4.350 -0.001 0.000 0.260 296 T C 1.142 175.846 174.700 0.008 0.000 1.019 296 T CA 0.337 62.440 62.100 0.004 0.000 0.921 296 T CB 0.119 68.994 68.868 0.012 0.000 1.053 296 T HN 0.457 nan 8.240 nan 0.000 0.533 297 G N 0.546 109.351 108.800 0.008 0.000 2.314 297 G HA2 0.100 4.059 3.960 -0.001 0.000 0.292 297 G HA3 0.100 4.059 3.960 -0.001 0.000 0.292 297 G C 0.297 175.214 174.900 0.027 0.000 1.059 297 G CA -0.133 44.975 45.100 0.014 0.000 0.982 297 G HN 1.068 nan 8.290 nan 0.000 0.505 298 G N -1.571 107.245 108.800 0.027 0.000 2.735 298 G HA2 0.816 4.775 3.960 -0.001 0.000 0.301 298 G HA3 0.816 4.775 3.960 -0.001 0.000 0.301 298 G C -0.534 174.378 174.900 0.021 0.000 1.279 298 G CA 0.026 45.148 45.100 0.037 0.000 1.019 298 G HN 0.635 nan 8.290 nan 0.000 0.497 299 T N 0.600 115.166 114.554 0.021 0.000 2.786 299 T HA 0.419 4.768 4.350 -0.001 0.000 0.283 299 T C 0.162 174.866 174.700 0.006 0.000 0.992 299 T CA -0.270 61.836 62.100 0.010 0.000 0.954 299 T CB 1.520 70.394 68.868 0.009 0.000 0.934 299 T HN 0.393 nan 8.240 nan 0.000 0.440 300 V N 4.789 124.702 119.914 -0.002 0.000 2.599 300 V HA 0.159 4.279 4.120 -0.001 0.000 0.300 300 V C 0.412 176.504 176.094 -0.003 0.000 1.034 300 V CA 0.064 62.361 62.300 -0.006 0.000 1.115 300 V CB -0.004 31.811 31.823 -0.014 0.000 0.934 300 V HN 0.782 nan 8.190 nan 0.000 0.485 301 I N 5.295 125.865 120.570 -0.001 0.000 2.412 301 I HA 0.276 4.445 4.170 -0.001 0.000 0.279 301 I C 0.277 176.394 176.117 -0.000 0.000 1.063 301 I CA 0.128 61.428 61.300 -0.000 0.000 1.193 301 I CB 0.819 38.820 38.000 0.002 0.000 1.370 301 I HN 0.748 nan 8.210 nan 0.000 0.479 302 S N 2.452 118.150 115.700 -0.002 0.000 2.537 302 S HA 0.397 4.867 4.470 -0.001 0.000 0.301 302 S C 0.481 175.081 174.600 -0.001 0.000 1.092 302 S CA -0.876 57.323 58.200 -0.002 0.000 1.048 302 S CB 1.808 65.005 63.200 -0.005 0.000 1.053 302 S HN 0.547 nan 8.310 nan 0.000 0.501 303 E N 0.881 121.082 120.200 0.001 0.000 2.516 303 E HA -0.074 4.276 4.350 -0.001 0.000 0.199 303 E C 0.986 177.586 176.600 0.000 0.000 1.069 303 E CA 0.493 56.894 56.400 0.002 0.000 0.876 303 E CB -0.067 29.635 29.700 0.004 0.000 0.843 303 E HN 0.753 nan 8.360 nan 0.000 0.530 304 E N 0.568 120.767 120.200 -0.001 0.000 2.076 304 E HA -0.049 4.301 4.350 -0.001 0.000 0.190 304 E C 1.472 178.070 176.600 -0.003 0.000 0.979 304 E CA 0.616 57.015 56.400 -0.003 0.000 0.807 304 E CB 0.117 29.814 29.700 -0.005 0.000 0.761 304 E HN 0.300 nan 8.360 nan 0.000 0.454 305 I N 0.760 121.328 120.570 -0.004 0.000 3.680 305 I HA 0.086 4.256 4.170 -0.001 0.000 0.306 305 I C 0.647 176.763 176.117 -0.003 0.000 1.260 305 I CA -0.009 61.288 61.300 -0.004 0.000 1.201 305 I CB -0.413 37.585 38.000 -0.004 0.000 1.009 305 I HN 0.066 nan 8.210 nan 0.000 0.467 306 G N 2.260 111.059 108.800 -0.002 0.000 2.392 306 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.290 306 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.290 306 G C -0.276 174.623 174.900 -0.001 0.000 1.032 306 G CA -0.027 45.073 45.100 -0.001 0.000 1.269 306 G HN 0.326 nan 8.290 nan 0.000 0.511 307 M N -0.083 119.516 119.600 -0.001 0.000 2.591 307 M HA 0.560 5.040 4.480 -0.001 0.000 0.306 307 M C -0.097 176.203 176.300 -0.000 0.000 1.190 307 M CA -0.695 54.605 55.300 -0.001 0.000 0.889 307 M CB 2.394 34.993 32.600 -0.001 0.000 1.728 307 M HN 0.338 nan 8.290 nan 0.000 0.458 308 E N 1.313 121.513 120.200 -0.001 0.000 2.266 308 E HA 0.366 4.716 4.350 -0.001 0.000 0.268 308 E C 0.211 176.810 176.600 -0.001 0.000 0.879 308 E CA -0.569 55.831 56.400 -0.000 0.000 0.762 308 E CB 2.615 32.314 29.700 -0.001 0.000 1.199 308 E HN 0.620 nan 8.360 nan 0.000 0.422 309 L N 1.463 122.686 121.223 0.000 0.000 2.012 309 L HA -0.255 4.084 4.340 -0.001 0.000 0.210 309 L C 1.837 178.703 176.870 -0.006 0.000 1.073 309 L CA 1.522 56.361 54.840 -0.001 0.000 0.748 309 L CB -0.348 41.713 42.059 0.003 0.000 0.891 309 L HN 0.620 nan 8.230 nan 0.000 0.431 310 E N 0.373 120.570 120.200 -0.005 0.000 2.114 310 E HA -0.202 4.147 4.350 -0.001 0.000 0.199 310 E C 0.854 177.447 176.600 -0.011 0.000 1.008 310 E CA 1.259 57.654 56.400 -0.008 0.000 0.810 310 E CB -0.109 29.588 29.700 -0.005 0.000 0.739 310 E HN 0.322 nan 8.360 nan 0.000 0.456 311 K N 0.446 120.841 120.400 -0.009 0.000 2.502 311 K HA 0.415 4.734 4.320 -0.001 0.000 0.244 311 K C -1.034 175.559 176.600 -0.012 0.000 1.249 311 K CA -0.168 56.113 56.287 -0.010 0.000 1.193 311 K CB 0.719 33.214 32.500 -0.007 0.000 1.674 311 K HN 0.006 nan 8.250 nan 0.000 0.302 312 A N 1.436 124.245 122.820 -0.018 0.000 2.446 312 A HA 0.281 4.601 4.320 -0.001 0.000 0.282 312 A C 0.087 177.649 177.584 -0.037 0.000 1.102 312 A CA -0.830 51.194 52.037 -0.022 0.000 0.737 312 A CB 0.592 19.581 19.000 -0.019 0.000 1.212 312 A HN 0.406 nan 8.150 nan 0.000 0.434 313 T N 0.313 114.845 114.554 -0.037 0.000 2.754 313 T HA 0.429 4.779 4.350 -0.001 0.000 0.286 313 T C 1.443 176.094 174.700 -0.080 0.000 0.997 313 T CA -0.458 61.610 62.100 -0.054 0.000 0.982 313 T CB 0.323 69.168 68.868 -0.037 0.000 1.027 313 T HN 0.423 nan 8.240 nan 0.000 0.529 314 L N 0.045 121.191 121.223 -0.129 0.000 2.089 314 L HA -0.190 4.150 4.340 -0.001 0.000 0.213 314 L C 3.092 179.915 176.870 -0.079 0.000 1.079 314 L CA 1.935 56.642 54.840 -0.223 0.000 0.758 314 L CB -0.596 41.298 42.059 -0.275 0.000 0.891 314 L HN 0.890 nan 8.230 nan 0.000 0.433 315 E N -0.037 120.153 120.200 -0.017 0.000 2.097 315 E HA -0.272 4.078 4.350 -0.001 0.000 0.196 315 E C 1.601 178.226 176.600 0.043 0.000 1.000 315 E CA 1.608 58.028 56.400 0.034 0.000 0.804 315 E CB 0.060 29.771 29.700 0.019 0.000 0.740 315 E HN 0.529 nan 8.360 nan 0.000 0.454 316 D N 0.095 120.506 120.400 0.018 0.000 2.218 316 D HA -0.118 4.522 4.640 -0.001 0.000 0.204 316 D C 0.381 176.708 176.300 0.045 0.000 0.976 316 D CA 0.410 54.423 54.000 0.022 0.000 0.853 316 D CB -0.065 40.738 40.800 0.005 0.000 0.939 316 D HN 0.118 nan 8.370 nan 0.000 0.481 317 L N 1.203 122.465 121.223 0.066 0.000 2.453 317 L HA 0.203 4.542 4.340 -0.001 0.000 0.272 317 L C 1.437 178.411 176.870 0.174 0.000 1.182 317 L CA 0.143 55.060 54.840 0.130 0.000 0.858 317 L CB 0.602 42.767 42.059 0.176 0.000 1.120 317 L HN -0.137 nan 8.230 nan 0.000 0.474 318 G N 2.433 111.310 108.800 0.128 0.000 2.651 318 G HA2 0.407 4.366 3.960 -0.001 0.000 0.260 318 G HA3 0.407 4.366 3.960 -0.001 0.000 0.260 318 G C -0.754 174.200 174.900 0.090 0.000 1.216 318 G CA -0.223 44.931 45.100 0.090 0.000 0.913 318 G HN 0.623 nan 8.290 nan 0.000 0.535 319 Q N -1.546 118.255 119.800 0.003 0.000 2.418 319 Q HA 0.605 4.945 4.340 -0.001 0.000 0.282 319 Q C -0.892 175.060 176.000 -0.080 0.000 1.044 319 Q CA -0.710 55.030 55.803 -0.104 0.000 0.813 319 Q CB 2.119 30.716 28.738 -0.236 0.000 1.428 319 Q HN 0.973 nan 8.270 nan 0.000 0.402 320 A N 1.857 124.618 122.820 -0.098 0.000 2.552 320 A HA 0.516 4.835 4.320 -0.001 0.000 0.288 320 A C -0.659 176.877 177.584 -0.081 0.000 1.193 320 A CA -0.565 51.432 52.037 -0.066 0.000 0.713 320 A CB 1.489 20.472 19.000 -0.029 0.000 1.305 320 A HN 0.775 nan 8.150 nan 0.000 0.424 321 K N -0.772 119.595 120.400 -0.055 0.000 2.314 321 K HA 0.197 4.517 4.320 -0.001 0.000 0.198 321 K C 0.225 176.801 176.600 -0.040 0.000 1.045 321 K CA 0.820 57.076 56.287 -0.051 0.000 0.988 321 K CB 0.253 32.731 32.500 -0.038 0.000 0.783 321 K HN 0.502 nan 8.250 nan 0.000 0.484 322 R N -0.202 120.280 120.500 -0.030 0.000 2.664 322 R HA 0.177 4.516 4.340 -0.001 0.000 0.260 322 R C -1.880 174.412 176.300 -0.014 0.000 1.062 322 R CA -0.497 55.591 56.100 -0.020 0.000 0.902 322 R CB 2.141 32.431 30.300 -0.015 0.000 1.258 322 R HN -0.046 nan 8.270 nan 0.000 0.465 323 V N -0.117 119.790 119.914 -0.011 0.000 2.876 323 V HA 0.855 4.975 4.120 -0.001 0.000 0.312 323 V C -1.434 174.651 176.094 -0.014 0.000 1.085 323 V CA -0.533 61.760 62.300 -0.011 0.000 0.945 323 V CB 2.354 34.173 31.823 -0.007 0.000 1.017 323 V HN 0.417 nan 8.190 nan 0.000 0.428 324 V N 6.321 126.219 119.914 -0.026 0.000 2.482 324 V HA 0.570 4.690 4.120 -0.001 0.000 0.295 324 V C -0.339 175.726 176.094 -0.048 0.000 1.026 324 V CA -0.200 62.085 62.300 -0.024 0.000 0.856 324 V CB 1.392 33.200 31.823 -0.024 0.000 1.001 324 V HN 1.066 nan 8.190 nan 0.000 0.424 325 I N 3.055 123.616 120.570 -0.015 0.000 2.466 325 I HA 0.679 4.849 4.170 -0.001 0.000 0.289 325 I C -0.684 175.456 176.117 0.038 0.000 1.026 325 I CA -0.340 60.940 61.300 -0.033 0.000 1.078 325 I CB 2.031 40.012 38.000 -0.033 0.000 1.249 325 I HN 0.463 nan 8.210 nan 0.000 0.429 326 N N 5.511 124.170 118.700 -0.068 0.000 2.681 326 N HA 0.228 4.968 4.740 -0.001 0.000 0.311 326 N C 0.515 175.797 175.510 -0.380 0.000 1.303 326 N CA -0.750 52.261 53.050 -0.065 0.000 0.926 326 N CB 0.771 39.214 38.487 -0.073 0.000 1.136 326 N HN 0.663 nan 8.380 nan 0.000 0.592 327 K N 0.247 120.444 120.400 -0.337 0.000 2.152 327 K HA -0.173 4.146 4.320 -0.001 0.000 0.206 327 K C -0.518 175.819 176.600 -0.438 0.000 1.048 327 K CA 2.038 58.017 56.287 -0.513 0.000 0.933 327 K CB -0.056 32.350 32.500 -0.156 0.000 0.721 327 K HN 0.575 nan 8.250 nan 0.000 0.447 328 D N -1.243 118.990 120.400 -0.280 0.000 2.822 328 D HA 0.105 4.745 4.640 -0.001 0.000 0.327 328 D C -1.119 175.071 176.300 -0.183 0.000 1.577 328 D CA -0.398 53.479 54.000 -0.205 0.000 0.785 328 D CB 1.134 41.858 40.800 -0.127 0.000 1.199 328 D HN -0.159 nan 8.370 nan 0.000 0.443 329 T N 0.313 114.732 114.554 -0.225 0.000 3.348 329 T HA 0.335 4.684 4.350 -0.001 0.000 0.328 329 T C -0.653 173.862 174.700 -0.307 0.000 0.913 329 T CA -0.405 61.551 62.100 -0.240 0.000 1.043 329 T CB 1.513 70.287 68.868 -0.156 0.000 1.021 329 T HN -0.093 nan 8.240 nan 0.000 0.461 330 T N 2.783 117.018 114.554 -0.531 0.000 2.909 330 T HA 0.654 5.003 4.350 -0.001 0.000 0.289 330 T C 0.150 174.534 174.700 -0.527 0.000 1.005 330 T CA -0.338 61.410 62.100 -0.587 0.000 1.084 330 T CB 1.320 69.669 68.868 -0.865 0.000 0.975 330 T HN 0.578 nan 8.240 nan 0.000 0.509 331 T N 2.638 117.038 114.554 -0.256 0.000 3.071 331 T HA 0.554 4.903 4.350 -0.001 0.000 0.311 331 T C -1.062 173.621 174.700 -0.028 0.000 1.042 331 T CA -0.678 61.355 62.100 -0.112 0.000 1.028 331 T CB 0.280 69.100 68.868 -0.080 0.000 1.068 331 T HN 0.434 nan 8.240 nan 0.000 0.451 332 I N 5.582 126.175 120.570 0.038 0.000 2.331 332 I HA 0.462 4.632 4.170 -0.001 0.000 0.292 332 I C -0.065 176.067 176.117 0.024 0.000 0.998 332 I CA -0.716 60.610 61.300 0.043 0.000 1.267 332 I CB 1.363 39.412 38.000 0.083 0.000 1.386 332 I HN 0.566 nan 8.210 nan 0.000 0.476 333 I N 5.928 126.502 120.570 0.007 0.000 2.312 333 I HA 0.199 4.369 4.170 -0.001 0.000 0.290 333 I C -0.553 175.562 176.117 -0.005 0.000 1.008 333 I CA -0.231 61.069 61.300 -0.000 0.000 1.226 333 I CB 0.816 38.812 38.000 -0.006 0.000 1.371 333 I HN 0.612 nan 8.210 nan 0.000 0.468 334 D N 4.830 125.229 120.400 -0.003 0.000 4.353 334 D HA -0.110 4.530 4.640 -0.001 0.000 0.242 334 D C 0.084 176.376 176.300 -0.013 0.000 1.063 334 D CA 0.973 54.968 54.000 -0.008 0.000 1.224 334 D CB 0.011 40.803 40.800 -0.013 0.000 0.831 334 D HN 0.764 nan 8.370 nan 0.000 0.405 335 G N 1.125 109.920 108.800 -0.008 0.000 2.448 335 G HA2 0.416 4.375 3.960 -0.001 0.000 0.285 335 G HA3 0.416 4.375 3.960 -0.001 0.000 0.285 335 G C 1.340 176.229 174.900 -0.018 0.000 1.176 335 G CA -0.504 44.589 45.100 -0.012 0.000 0.852 335 G HN 0.381 nan 8.290 nan 0.000 0.530 336 V N 1.771 121.671 119.914 -0.024 0.000 2.809 336 V HA 0.010 4.129 4.120 -0.001 0.000 0.256 336 V C 2.176 178.262 176.094 -0.013 0.000 1.080 336 V CA 1.157 63.441 62.300 -0.025 0.000 1.102 336 V CB -0.972 30.829 31.823 -0.037 0.000 0.705 336 V HN 0.826 nan 8.190 nan 0.000 0.475 337 G N 1.303 110.098 108.800 -0.008 0.000 2.150 337 G HA2 0.005 3.964 3.960 -0.001 0.000 0.250 337 G HA3 0.005 3.964 3.960 -0.001 0.000 0.250 337 G C -0.049 174.848 174.900 -0.005 0.000 1.179 337 G CA -0.142 44.956 45.100 -0.004 0.000 0.934 337 G HN 0.571 nan 8.290 nan 0.000 0.453 338 E N 2.118 122.316 120.200 -0.004 0.000 2.413 338 E HA 0.012 4.361 4.350 -0.001 0.000 0.263 338 E C 0.820 177.417 176.600 -0.004 0.000 1.015 338 E CA 0.111 56.509 56.400 -0.004 0.000 0.916 338 E CB 1.114 30.813 29.700 -0.003 0.000 0.947 338 E HN 0.688 nan 8.360 nan 0.000 0.440 339 E N 1.739 121.937 120.200 -0.005 0.000 2.409 339 E HA -0.185 4.165 4.350 -0.001 0.000 0.198 339 E C 1.641 178.239 176.600 -0.004 0.000 1.024 339 E CA 0.603 57.000 56.400 -0.005 0.000 0.861 339 E CB -0.010 29.687 29.700 -0.005 0.000 0.788 339 E HN 0.587 nan 8.360 nan 0.000 0.521 340 A N 1.727 124.545 122.820 -0.004 0.000 1.865 340 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 340 A C 2.418 179.999 177.584 -0.004 0.000 1.191 340 A CA 1.818 53.853 52.037 -0.004 0.000 0.623 340 A CB -0.685 18.313 19.000 -0.003 0.000 0.826 340 A HN 0.326 nan 8.150 nan 0.000 0.444 341 A N -0.526 122.292 122.820 -0.004 0.000 1.929 341 A HA 0.068 4.387 4.320 -0.001 0.000 0.216 341 A C 2.121 179.701 177.584 -0.007 0.000 1.176 341 A CA 1.211 53.245 52.037 -0.005 0.000 0.628 341 A CB -0.539 18.459 19.000 -0.004 0.000 0.816 341 A HN 0.488 nan 8.150 nan 0.000 0.444 342 I N -0.816 119.750 120.570 -0.006 0.000 2.099 342 I HA -0.295 3.874 4.170 -0.001 0.000 0.239 342 I C 2.763 178.875 176.117 -0.008 0.000 1.066 342 I CA 1.849 63.144 61.300 -0.007 0.000 1.324 342 I CB -0.361 37.635 38.000 -0.006 0.000 1.037 342 I HN 0.323 nan 8.210 nan 0.000 0.401 343 Q N 1.238 121.034 119.800 -0.007 0.000 2.135 343 Q HA -0.155 4.184 4.340 -0.001 0.000 0.204 343 Q C 1.994 177.990 176.000 -0.008 0.000 0.981 343 Q CA 2.111 57.910 55.803 -0.007 0.000 0.856 343 Q CB -0.809 27.925 28.738 -0.006 0.000 0.902 343 Q HN 0.539 nan 8.270 nan 0.000 0.425 344 G N -0.179 108.616 108.800 -0.008 0.000 2.434 344 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.214 344 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.214 344 G C 1.514 176.408 174.900 -0.010 0.000 1.202 344 G CA 0.817 45.912 45.100 -0.008 0.000 0.788 344 G HN 0.369 nan 8.290 nan 0.000 0.539 345 R N 0.319 120.812 120.500 -0.012 0.000 2.159 345 R HA -0.013 4.326 4.340 -0.001 0.000 0.237 345 R C 2.390 178.680 176.300 -0.016 0.000 1.131 345 R CA 1.428 57.519 56.100 -0.015 0.000 0.982 345 R CB -0.802 29.488 30.300 -0.016 0.000 0.868 345 R HN 0.257 nan 8.270 nan 0.000 0.453 346 V N 0.293 120.199 119.914 -0.014 0.000 2.453 346 V HA -0.060 4.060 4.120 -0.001 0.000 0.247 346 V C 2.187 178.273 176.094 -0.014 0.000 1.048 346 V CA 1.633 63.924 62.300 -0.015 0.000 1.049 346 V CB -0.648 31.168 31.823 -0.012 0.000 0.672 346 V HN 0.502 nan 8.190 nan 0.000 0.457 347 A N -1.021 121.792 122.820 -0.012 0.000 2.168 347 A HA -0.165 4.155 4.320 -0.001 0.000 0.215 347 A C 2.137 179.714 177.584 -0.012 0.000 1.152 347 A CA 1.196 53.227 52.037 -0.010 0.000 0.716 347 A CB -0.249 18.746 19.000 -0.009 0.000 0.794 347 A HN 0.636 nan 8.150 nan 0.000 0.465 348 Q N -0.576 119.216 119.800 -0.014 0.000 2.107 348 Q HA 0.115 4.455 4.340 -0.001 0.000 0.195 348 Q C 1.637 177.626 176.000 -0.018 0.000 0.964 348 Q CA 1.079 56.873 55.803 -0.015 0.000 0.833 348 Q CB -0.165 28.563 28.738 -0.016 0.000 0.910 348 Q HN 0.709 nan 8.270 nan 0.000 0.465 349 I N 0.819 121.376 120.570 -0.021 0.000 3.083 349 I HA -0.162 4.007 4.170 -0.001 0.000 0.273 349 I C 2.247 178.351 176.117 -0.022 0.000 1.297 349 I CA 0.394 61.679 61.300 -0.025 0.000 1.452 349 I CB -0.140 37.843 38.000 -0.030 0.000 1.078 349 I HN 0.093 nan 8.210 nan 0.000 0.484 350 R N 1.648 122.137 120.500 -0.018 0.000 2.073 350 R HA -0.179 4.161 4.340 -0.001 0.000 0.234 350 R C 1.990 178.282 176.300 -0.013 0.000 1.134 350 R CA 1.723 57.814 56.100 -0.014 0.000 0.952 350 R CB -0.099 30.194 30.300 -0.012 0.000 0.850 350 R HN 0.394 nan 8.270 nan 0.000 0.433 351 Q N -0.613 119.179 119.800 -0.013 0.000 2.360 351 Q HA 0.045 4.385 4.340 -0.001 0.000 0.202 351 Q C 1.650 177.642 176.000 -0.014 0.000 0.915 351 Q CA 0.126 55.922 55.803 -0.011 0.000 0.943 351 Q CB 0.571 29.303 28.738 -0.010 0.000 1.064 351 Q HN 0.356 nan 8.270 nan 0.000 0.511 352 Q N 0.477 120.266 119.800 -0.018 0.000 2.124 352 Q HA -0.122 4.217 4.340 -0.001 0.000 0.202 352 Q C 1.986 177.973 176.000 -0.022 0.000 0.977 352 Q CA 1.199 56.988 55.803 -0.022 0.000 0.850 352 Q CB -0.006 28.714 28.738 -0.030 0.000 0.901 352 Q HN 0.513 nan 8.270 nan 0.000 0.429 353 I N 0.973 121.531 120.570 -0.021 0.000 2.353 353 I HA -0.191 3.978 4.170 -0.001 0.000 0.248 353 I C 2.072 178.183 176.117 -0.010 0.000 1.119 353 I CA 0.708 61.997 61.300 -0.018 0.000 1.417 353 I CB -0.313 37.676 38.000 -0.019 0.000 1.078 353 I HN 0.033 nan 8.210 nan 0.000 0.421 354 E N 1.632 121.827 120.200 -0.008 0.000 2.077 354 E HA -0.214 4.136 4.350 -0.001 0.000 0.193 354 E C 1.392 177.991 176.600 -0.002 0.000 0.989 354 E CA 1.393 57.791 56.400 -0.004 0.000 0.800 354 E CB -0.293 29.405 29.700 -0.004 0.000 0.746 354 E HN 0.660 nan 8.360 nan 0.000 0.452 355 E N 0.153 120.351 120.200 -0.004 0.000 2.501 355 E HA 0.308 4.657 4.350 -0.001 0.000 0.200 355 E C -0.068 176.530 176.600 -0.003 0.000 1.016 355 E CA -0.072 56.326 56.400 -0.003 0.000 0.921 355 E CB 0.815 30.513 29.700 -0.004 0.000 1.034 355 E HN 0.038 nan 8.360 nan 0.000 0.468 356 A N 1.889 124.705 122.820 -0.005 0.000 2.655 356 A HA 0.078 4.398 4.320 -0.001 0.000 0.297 356 A C 1.322 178.909 177.584 0.006 0.000 1.461 356 A CA -0.209 51.825 52.037 -0.004 0.000 1.146 356 A CB -0.590 18.402 19.000 -0.014 0.000 1.108 356 A HN 0.253 nan 8.150 nan 0.000 0.550 357 T N -0.317 114.243 114.554 0.010 0.000 3.163 357 T HA 0.128 4.478 4.350 -0.001 0.000 0.260 357 T C 0.835 175.549 174.700 0.023 0.000 1.156 357 T CA 0.851 62.960 62.100 0.015 0.000 1.072 357 T CB -0.169 68.707 68.868 0.013 0.000 0.937 357 T HN 0.411 nan 8.240 nan 0.000 0.528 358 S N -0.585 115.133 115.700 0.029 0.000 2.726 358 S HA 0.411 4.881 4.470 -0.001 0.000 0.308 358 S C 0.250 174.880 174.600 0.049 0.000 1.115 358 S CA -0.756 57.472 58.200 0.047 0.000 0.965 358 S CB 1.741 64.983 63.200 0.070 0.000 1.145 358 S HN 0.144 nan 8.310 nan 0.000 0.532 359 D N -0.151 120.293 120.400 0.072 0.000 2.323 359 D HA 0.039 4.679 4.640 -0.001 0.000 0.218 359 D C 1.231 177.589 176.300 0.097 0.000 0.973 359 D CA 0.774 54.818 54.000 0.073 0.000 0.890 359 D CB -0.055 40.790 40.800 0.074 0.000 1.011 359 D HN 0.599 nan 8.370 nan 0.000 0.499 360 Y N 1.876 122.181 120.300 0.009 0.000 2.337 360 Y HA -0.081 4.469 4.550 -0.001 0.000 0.293 360 Y C 0.982 176.883 175.900 0.002 0.000 1.123 360 Y CA 1.340 59.446 58.100 0.009 0.000 1.201 360 Y CB 0.027 38.494 38.460 0.010 0.000 1.011 360 Y HN -0.202 nan 8.280 nan 0.000 0.545 361 D N -0.241 120.139 120.400 -0.033 0.000 2.392 361 D HA -0.047 4.593 4.640 -0.001 0.000 0.228 361 D C 1.892 178.123 176.300 -0.115 0.000 1.003 361 D CA 0.531 54.469 54.000 -0.104 0.000 0.917 361 D CB -0.001 40.801 40.800 0.002 0.000 0.890 361 D HN 0.335 nan 8.370 nan 0.000 0.532 362 R N 0.125 120.563 120.500 -0.103 0.000 2.164 362 R HA 0.001 4.341 4.340 -0.001 0.000 0.198 362 R C 1.492 177.739 176.300 -0.089 0.000 1.028 362 R CA 0.215 56.274 56.100 -0.068 0.000 1.083 362 R CB 0.401 30.686 30.300 -0.024 0.000 1.026 362 R HN -0.007 nan 8.270 nan 0.000 0.514 363 E N 1.609 121.737 120.200 -0.120 0.000 2.023 363 E HA -0.222 4.128 4.350 -0.001 0.000 0.196 363 E C 1.662 178.184 176.600 -0.130 0.000 1.003 363 E CA 1.170 57.503 56.400 -0.112 0.000 0.809 363 E CB -0.173 29.458 29.700 -0.115 0.000 0.755 363 E HN 0.203 nan 8.360 nan 0.000 0.449 364 K N 0.933 121.207 120.400 -0.210 0.000 2.063 364 K HA -0.081 4.239 4.320 -0.001 0.000 0.208 364 K C 2.543 179.074 176.600 -0.115 0.000 1.048 364 K CA 0.789 56.972 56.287 -0.174 0.000 0.928 364 K CB -0.684 31.671 32.500 -0.242 0.000 0.713 364 K HN 0.195 nan 8.250 nan 0.000 0.442 365 L N 1.165 122.321 121.223 -0.111 0.000 2.017 365 L HA -0.218 4.122 4.340 -0.001 0.000 0.208 365 L C 2.678 179.513 176.870 -0.057 0.000 1.073 365 L CA 1.392 56.186 54.840 -0.076 0.000 0.745 365 L CB -0.520 41.499 42.059 -0.067 0.000 0.894 365 L HN 0.231 nan 8.230 nan 0.000 0.432 366 Q N -0.314 119.453 119.800 -0.055 0.000 2.170 366 Q HA -0.209 4.130 4.340 -0.001 0.000 0.203 366 Q C 2.107 178.085 176.000 -0.037 0.000 0.976 366 Q CA 1.286 57.064 55.803 -0.041 0.000 0.858 366 Q CB -0.061 28.654 28.738 -0.038 0.000 0.907 366 Q HN 0.513 nan 8.270 nan 0.000 0.433 367 E N 0.696 120.870 120.200 -0.043 0.000 2.012 367 E HA -0.207 4.142 4.350 -0.001 0.000 0.197 367 E C 2.071 178.656 176.600 -0.026 0.000 1.007 367 E CA 1.018 57.399 56.400 -0.031 0.000 0.816 367 E CB -0.035 29.645 29.700 -0.034 0.000 0.762 367 E HN 0.246 nan 8.360 nan 0.000 0.451 368 R N 0.353 120.831 120.500 -0.036 0.000 2.096 368 R HA -0.191 4.149 4.340 -0.001 0.000 0.240 368 R C 2.705 178.989 176.300 -0.026 0.000 1.139 368 R CA 1.784 57.863 56.100 -0.034 0.000 0.952 368 R CB -0.922 29.349 30.300 -0.048 0.000 0.854 368 R HN 0.259 nan 8.270 nan 0.000 0.436 369 V N -1.198 118.699 119.914 -0.028 0.000 2.324 369 V HA -0.226 3.894 4.120 -0.001 0.000 0.250 369 V C 2.191 178.275 176.094 -0.015 0.000 1.060 369 V CA 2.052 64.339 62.300 -0.022 0.000 1.042 369 V CB -0.952 30.858 31.823 -0.022 0.000 0.650 369 V HN 0.322 nan 8.190 nan 0.000 0.450 370 A N 0.181 122.993 122.820 -0.014 0.000 1.929 370 A HA -0.069 4.250 4.320 -0.001 0.000 0.216 370 A C 2.292 179.875 177.584 -0.002 0.000 1.176 370 A CA 1.701 53.733 52.037 -0.009 0.000 0.628 370 A CB -0.539 18.456 19.000 -0.010 0.000 0.816 370 A HN 0.610 nan 8.150 nan 0.000 0.444 371 K N -0.703 119.698 120.400 0.001 0.000 2.283 371 K HA 0.068 4.387 4.320 -0.001 0.000 0.202 371 K C 1.369 177.975 176.600 0.009 0.000 1.048 371 K CA 0.949 57.243 56.287 0.013 0.000 0.948 371 K CB -0.153 32.360 32.500 0.022 0.000 0.742 371 K HN 0.469 nan 8.250 nan 0.000 0.458 372 L N -1.203 120.018 121.223 -0.002 0.000 2.470 372 L HA 0.146 4.485 4.340 -0.001 0.000 0.219 372 L C 1.871 178.738 176.870 -0.004 0.000 1.071 372 L CA 0.230 55.067 54.840 -0.005 0.000 0.850 372 L CB 0.091 42.143 42.059 -0.012 0.000 1.040 372 L HN 0.061 nan 8.230 nan 0.000 0.475 373 A N 0.003 122.820 122.820 -0.006 0.000 2.265 373 A HA 0.512 4.832 4.320 -0.001 0.000 0.226 373 A C 1.580 179.162 177.584 -0.004 0.000 1.937 373 A CA 0.703 52.737 52.037 -0.006 0.000 0.771 373 A CB -1.209 17.786 19.000 -0.008 0.000 1.421 373 A HN 0.216 nan 8.150 nan 0.000 0.570 374 G N -1.110 107.687 108.800 -0.005 0.000 3.086 374 G HA2 0.457 4.417 3.960 -0.001 0.000 0.159 374 G HA3 0.457 4.417 3.960 -0.001 0.000 0.159 374 G C 0.404 175.303 174.900 -0.002 0.000 1.654 374 G CA 0.286 45.384 45.100 -0.004 0.000 1.078 374 G HN 1.138 nan 8.290 nan 0.000 0.558 375 G N -2.355 106.443 108.800 -0.003 0.000 2.730 375 G HA2 0.520 4.479 3.960 -0.001 0.000 0.289 375 G HA3 0.520 4.479 3.960 -0.001 0.000 0.289 375 G C -1.751 173.148 174.900 -0.002 0.000 1.341 375 G CA -0.366 44.734 45.100 -0.001 0.000 0.932 375 G HN 0.623 nan 8.290 nan 0.000 0.481 376 V N 0.205 120.119 119.914 0.000 0.000 2.459 376 V HA 0.751 4.871 4.120 -0.001 0.000 0.295 376 V C 0.310 176.402 176.094 -0.004 0.000 1.029 376 V CA -0.517 61.783 62.300 -0.001 0.000 0.874 376 V CB 1.088 32.914 31.823 0.005 0.000 0.985 376 V HN 1.149 nan 8.190 nan 0.000 0.438 377 A N 4.342 127.157 122.820 -0.007 0.000 2.374 377 A HA 0.920 5.240 4.320 -0.001 0.000 0.317 377 A C -1.094 176.485 177.584 -0.008 0.000 1.094 377 A CA -0.599 51.433 52.037 -0.008 0.000 0.765 377 A CB 1.958 20.952 19.000 -0.010 0.000 1.268 377 A HN 0.635 nan 8.150 nan 0.000 0.438 378 V N 2.879 122.789 119.914 -0.007 0.000 2.540 378 V HA 0.420 4.539 4.120 -0.001 0.000 0.302 378 V C -0.471 175.620 176.094 -0.005 0.000 1.035 378 V CA -0.246 62.050 62.300 -0.006 0.000 0.873 378 V CB 1.608 33.429 31.823 -0.003 0.000 0.992 378 V HN 0.790 nan 8.190 nan 0.000 0.428 379 I N 4.446 125.013 120.570 -0.005 0.000 2.392 379 I HA 0.429 4.598 4.170 -0.001 0.000 0.295 379 I C -0.069 176.048 176.117 0.001 0.000 0.985 379 I CA -0.503 60.795 61.300 -0.002 0.000 1.221 379 I CB 1.541 39.540 38.000 -0.003 0.000 1.366 379 I HN 0.515 nan 8.210 nan 0.000 0.467 380 K N 5.880 126.281 120.400 0.001 0.000 2.293 380 K HA 0.450 4.769 4.320 -0.001 0.000 0.267 380 K C -1.055 175.547 176.600 0.004 0.000 1.010 380 K CA -0.663 55.625 56.287 0.003 0.000 0.875 380 K CB 1.755 34.256 32.500 0.002 0.000 1.106 380 K HN 0.282 nan 8.250 nan 0.000 0.450 381 V N 2.186 122.103 119.914 0.006 0.000 2.508 381 V HA 0.258 4.377 4.120 -0.001 0.000 0.281 381 V C 0.876 176.974 176.094 0.006 0.000 1.041 381 V CA -0.759 61.545 62.300 0.007 0.000 1.016 381 V CB 0.906 32.735 31.823 0.010 0.000 0.984 381 V HN 0.875 nan 8.190 nan 0.000 0.478 382 G N 2.940 111.743 108.800 0.005 0.000 2.367 382 G HA2 0.724 4.684 3.960 -0.001 0.000 0.314 382 G HA3 0.724 4.684 3.960 -0.001 0.000 0.314 382 G C -0.458 174.445 174.900 0.004 0.000 1.130 382 G CA 0.024 45.127 45.100 0.004 0.000 0.864 382 G HN 1.300 nan 8.290 nan 0.000 0.486 383 A N 0.509 123.332 122.820 0.004 0.000 2.589 383 A HA 0.762 5.082 4.320 -0.001 0.000 0.296 383 A C 0.728 178.314 177.584 0.003 0.000 1.062 383 A CA 0.270 52.309 52.037 0.004 0.000 0.686 383 A CB 1.011 20.015 19.000 0.005 0.000 1.282 383 A HN 1.702 nan 8.150 nan 0.000 0.404 384 A N 0.692 123.514 122.820 0.003 0.000 1.873 384 A HA 0.309 4.629 4.320 -0.001 0.000 0.215 384 A C 1.462 179.048 177.584 0.003 0.000 1.186 384 A CA 2.489 54.527 52.037 0.002 0.000 0.616 384 A CB -0.807 18.194 19.000 0.001 0.000 0.823 384 A HN 1.747 nan 8.150 nan 0.000 0.442 385 T N -4.376 110.180 114.554 0.003 0.000 2.844 385 T HA 0.518 4.868 4.350 -0.001 0.000 0.274 385 T C 0.607 175.311 174.700 0.006 0.000 0.991 385 T CA -0.052 62.050 62.100 0.004 0.000 0.983 385 T CB 1.584 70.453 68.868 0.003 0.000 1.310 385 T HN 0.216 nan 8.240 nan 0.000 0.596 386 E N -0.491 119.713 120.200 0.007 0.000 2.216 386 E HA 0.022 4.372 4.350 -0.001 0.000 0.192 386 E C 2.188 178.794 176.600 0.009 0.000 0.973 386 E CA 0.391 56.797 56.400 0.010 0.000 0.851 386 E CB 0.025 29.732 29.700 0.012 0.000 0.804 386 E HN 0.535 nan 8.360 nan 0.000 0.477 387 V N 0.705 120.622 119.914 0.006 0.000 2.469 387 V HA -0.227 3.893 4.120 -0.001 0.000 0.251 387 V C 2.138 178.234 176.094 0.004 0.000 1.064 387 V CA 1.829 64.130 62.300 0.003 0.000 1.066 387 V CB -0.542 31.281 31.823 -0.001 0.000 0.667 387 V HN 0.201 nan 8.190 nan 0.000 0.461 388 E N -0.395 119.807 120.200 0.004 0.000 2.086 388 E HA -0.130 4.219 4.350 -0.001 0.000 0.190 388 E C 2.105 178.710 176.600 0.007 0.000 0.975 388 E CA 1.045 57.448 56.400 0.005 0.000 0.813 388 E CB -0.049 29.653 29.700 0.003 0.000 0.768 388 E HN 0.497 nan 8.360 nan 0.000 0.457 389 M N 1.695 121.300 119.600 0.009 0.000 2.082 389 M HA -0.220 4.259 4.480 -0.001 0.000 0.258 389 M C 1.915 178.224 176.300 0.014 0.000 1.071 389 M CA 1.791 57.098 55.300 0.011 0.000 1.103 389 M CB -0.212 32.395 32.600 0.012 0.000 1.307 389 M HN -0.131 nan 8.290 nan 0.000 0.409 390 K N -0.418 119.991 120.400 0.015 0.000 2.032 390 K HA -0.296 4.023 4.320 -0.001 0.000 0.218 390 K C 1.995 178.605 176.600 0.017 0.000 1.054 390 K CA 2.376 58.674 56.287 0.018 0.000 0.941 390 K CB -0.517 31.994 32.500 0.019 0.000 0.720 390 K HN 0.559 nan 8.250 nan 0.000 0.449 391 E N 1.398 121.605 120.200 0.012 0.000 2.051 391 E HA -0.225 4.124 4.350 -0.001 0.000 0.192 391 E C 1.900 178.508 176.600 0.012 0.000 0.991 391 E CA 1.854 58.261 56.400 0.010 0.000 0.799 391 E CB -0.127 29.576 29.700 0.006 0.000 0.748 391 E HN 0.097 nan 8.360 nan 0.000 0.449 392 K N 0.868 121.274 120.400 0.011 0.000 2.057 392 K HA -0.145 4.175 4.320 -0.001 0.000 0.207 392 K C 2.168 178.778 176.600 0.016 0.000 1.049 392 K CA 1.840 58.135 56.287 0.012 0.000 0.931 392 K CB -0.216 32.289 32.500 0.009 0.000 0.714 392 K HN 0.135 nan 8.250 nan 0.000 0.440 393 K N -0.377 120.034 120.400 0.018 0.000 2.026 393 K HA -0.116 4.204 4.320 -0.001 0.000 0.208 393 K C 1.991 178.609 176.600 0.031 0.000 1.048 393 K CA 1.316 57.617 56.287 0.023 0.000 0.929 393 K CB -0.310 32.204 32.500 0.023 0.000 0.713 393 K HN 0.239 nan 8.250 nan 0.000 0.439 394 A N 1.516 124.354 122.820 0.030 0.000 1.883 394 A HA -0.214 4.105 4.320 -0.001 0.000 0.217 394 A C 2.117 179.724 177.584 0.038 0.000 1.186 394 A CA 1.663 53.721 52.037 0.035 0.000 0.624 394 A CB -0.533 18.483 19.000 0.026 0.000 0.822 394 A HN 0.326 nan 8.150 nan 0.000 0.444 395 R N -0.749 119.768 120.500 0.029 0.000 2.082 395 R HA -0.110 4.229 4.340 -0.001 0.000 0.234 395 R C 2.106 178.430 176.300 0.039 0.000 1.136 395 R CA 1.668 57.786 56.100 0.030 0.000 0.935 395 R CB -0.839 29.472 30.300 0.019 0.000 0.842 395 R HN 0.382 nan 8.270 nan 0.000 0.430 396 V N 1.734 121.667 119.914 0.032 0.000 2.278 396 V HA -0.310 3.810 4.120 -0.001 0.000 0.251 396 V C 2.309 178.431 176.094 0.046 0.000 1.062 396 V CA 1.924 64.242 62.300 0.031 0.000 1.038 396 V CB -0.594 31.241 31.823 0.020 0.000 0.646 396 V HN 0.361 nan 8.190 nan 0.000 0.447 397 E N -0.023 120.214 120.200 0.062 0.000 2.065 397 E HA -0.327 4.023 4.350 -0.001 0.000 0.201 397 E C 2.041 178.776 176.600 0.225 0.000 1.016 397 E CA 2.132 58.598 56.400 0.111 0.000 0.818 397 E CB -0.464 29.308 29.700 0.119 0.000 0.749 397 E HN 0.725 nan 8.360 nan 0.000 0.453 398 D N -0.324 120.174 120.400 0.165 0.000 2.116 398 D HA -0.160 4.480 4.640 -0.001 0.000 0.193 398 D C 1.738 178.123 176.300 0.142 0.000 0.998 398 D CA 1.915 55.997 54.000 0.136 0.000 0.836 398 D CB 0.005 40.842 40.800 0.060 0.000 0.951 398 D HN 0.208 nan 8.370 nan 0.000 0.449 399 A N -0.167 122.709 122.820 0.094 0.000 1.984 399 A HA 0.038 4.358 4.320 -0.001 0.000 0.214 399 A C 2.046 179.664 177.584 0.058 0.000 1.173 399 A CA 0.129 52.206 52.037 0.067 0.000 0.673 399 A CB -0.516 18.507 19.000 0.039 0.000 0.830 399 A HN 0.309 nan 8.150 nan 0.000 0.453 400 L N -0.049 121.197 121.223 0.038 0.000 2.064 400 L HA -0.285 4.055 4.340 -0.001 0.000 0.216 400 L C 2.207 179.050 176.870 -0.044 0.000 1.077 400 L CA 2.643 57.468 54.840 -0.026 0.000 0.766 400 L CB -1.157 40.857 42.059 -0.075 0.000 0.890 400 L HN 0.582 nan 8.230 nan 0.000 0.435 401 H N -1.123 117.954 119.070 0.012 0.000 2.333 401 H HA -0.001 4.554 4.556 -0.001 0.000 0.302 401 H C 2.191 177.528 175.328 0.015 0.000 1.075 401 H CA 1.500 57.556 56.048 0.014 0.000 1.348 401 H CB 0.023 29.795 29.762 0.016 0.000 1.393 401 H HN 0.456 nan 8.280 nan 0.000 0.509 402 A N 0.305 123.217 122.820 0.153 0.000 1.877 402 A HA -0.233 4.087 4.320 -0.001 0.000 0.216 402 A C 2.519 180.136 177.584 0.055 0.000 1.186 402 A CA 2.272 54.361 52.037 0.087 0.000 0.620 402 A CB -1.272 17.766 19.000 0.063 0.000 0.822 402 A HN 0.621 nan 8.150 nan 0.000 0.443 403 T N -1.348 113.230 114.554 0.040 0.000 2.607 403 T HA -0.278 4.072 4.350 -0.001 0.000 0.267 403 T C 1.905 176.617 174.700 0.019 0.000 1.049 403 T CA 1.487 63.600 62.100 0.022 0.000 1.162 403 T CB -0.622 68.252 68.868 0.010 0.000 0.863 403 T HN 0.461 nan 8.240 nan 0.000 0.424 404 R N 1.792 122.299 120.500 0.012 0.000 2.204 404 R HA -0.089 4.250 4.340 -0.001 0.000 0.253 404 R C 2.736 179.052 176.300 0.027 0.000 1.172 404 R CA 1.592 57.697 56.100 0.009 0.000 0.994 404 R CB -1.098 29.196 30.300 -0.010 0.000 0.874 404 R HN 0.694 nan 8.270 nan 0.000 0.462 405 A N 0.704 123.550 122.820 0.043 0.000 1.911 405 A HA 0.173 4.492 4.320 -0.001 0.000 0.212 405 A C 2.405 180.008 177.584 0.031 0.000 1.189 405 A CA 0.944 53.008 52.037 0.045 0.000 0.639 405 A CB -0.387 18.648 19.000 0.059 0.000 0.839 405 A HN 0.296 nan 8.150 nan 0.000 0.449 406 A N -0.245 122.592 122.820 0.028 0.000 1.903 406 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 406 A C 2.215 179.809 177.584 0.016 0.000 1.191 406 A CA 2.128 54.177 52.037 0.021 0.000 0.638 406 A CB -1.049 17.962 19.000 0.018 0.000 0.823 406 A HN 0.421 nan 8.150 nan 0.000 0.451 407 V N 0.901 120.824 119.914 0.014 0.000 2.427 407 V HA -0.235 3.885 4.120 -0.001 0.000 0.248 407 V C 2.500 178.601 176.094 0.010 0.000 1.051 407 V CA 2.259 64.565 62.300 0.010 0.000 1.048 407 V CB -0.777 31.050 31.823 0.007 0.000 0.666 407 V HN 0.928 nan 8.190 nan 0.000 0.456 408 E N -0.243 119.965 120.200 0.013 0.000 2.385 408 E HA -0.133 4.216 4.350 -0.001 0.000 0.194 408 E C 1.720 178.328 176.600 0.013 0.000 1.013 408 E CA 1.065 57.473 56.400 0.013 0.000 0.866 408 E CB 0.088 29.798 29.700 0.015 0.000 0.832 408 E HN 0.650 nan 8.360 nan 0.000 0.500 409 E N 0.042 120.251 120.200 0.015 0.000 2.676 409 E HA 0.221 4.571 4.350 -0.001 0.000 0.225 409 E C 0.229 176.836 176.600 0.012 0.000 0.944 409 E CA 0.373 56.781 56.400 0.013 0.000 1.156 409 E CB 1.154 30.863 29.700 0.015 0.000 1.117 409 E HN 0.336 nan 8.360 nan 0.000 0.523 410 G N 0.209 109.016 108.800 0.012 0.000 2.660 410 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.247 410 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.247 410 G C -0.556 174.352 174.900 0.013 0.000 1.328 410 G CA -0.528 44.578 45.100 0.011 0.000 0.884 410 G HN 0.697 nan 8.290 nan 0.000 0.531 411 V N -2.840 117.082 119.914 0.013 0.000 3.007 411 V HA 0.989 5.109 4.120 -0.001 0.000 0.311 411 V C 0.562 176.664 176.094 0.014 0.000 1.120 411 V CA 0.081 62.389 62.300 0.014 0.000 0.980 411 V CB 1.145 32.976 31.823 0.014 0.000 1.033 411 V HN 2.508 nan 8.190 nan 0.000 0.429 412 V N -0.888 119.036 119.914 0.016 0.000 3.167 412 V HA 1.027 5.147 4.120 -0.001 0.000 0.310 412 V C 0.325 176.430 176.094 0.019 0.000 1.207 412 V CA -0.676 61.635 62.300 0.018 0.000 1.059 412 V CB 1.474 33.307 31.823 0.017 0.000 1.079 412 V HN 2.070 nan 8.190 nan 0.000 0.446 413 A N 0.884 123.718 122.820 0.023 0.000 2.451 413 A HA 0.704 5.024 4.320 -0.001 0.000 0.266 413 A C 0.800 178.398 177.584 0.023 0.000 1.119 413 A CA 0.486 52.538 52.037 0.025 0.000 0.786 413 A CB -0.540 18.480 19.000 0.035 0.000 1.061 413 A HN 1.959 nan 8.150 nan 0.000 0.503 414 G N 0.893 109.704 108.800 0.017 0.000 2.570 414 G HA2 0.505 4.464 3.960 -0.001 0.000 0.276 414 G HA3 0.505 4.464 3.960 -0.001 0.000 0.276 414 G C 1.131 176.043 174.900 0.020 0.000 1.346 414 G CA 0.047 45.157 45.100 0.016 0.000 1.034 414 G HN 2.231 nan 8.290 nan 0.000 0.512 415 G N -2.265 106.548 108.800 0.022 0.000 2.160 415 G HA2 0.225 4.185 3.960 -0.001 0.000 0.251 415 G HA3 0.225 4.185 3.960 -0.001 0.000 0.251 415 G C 1.419 176.344 174.900 0.041 0.000 1.008 415 G CA 0.990 46.111 45.100 0.035 0.000 0.724 415 G HN 2.518 nan 8.290 nan 0.000 0.514 416 G N -2.158 106.661 108.800 0.032 0.000 2.225 416 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.267 416 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.267 416 G C 1.655 176.576 174.900 0.035 0.000 1.024 416 G CA 1.651 46.769 45.100 0.031 0.000 0.784 416 G HN 2.087 nan 8.290 nan 0.000 0.507 417 V N -0.571 119.365 119.914 0.038 0.000 2.407 417 V HA 0.257 4.376 4.120 -0.001 0.000 0.245 417 V C 2.870 178.988 176.094 0.040 0.000 1.041 417 V CA 2.325 64.651 62.300 0.045 0.000 1.040 417 V CB -0.478 31.376 31.823 0.052 0.000 0.671 417 V HN 1.344 nan 8.190 nan 0.000 0.455 418 A N 0.375 123.215 122.820 0.033 0.000 1.884 418 A HA -0.226 4.094 4.320 -0.001 0.000 0.219 418 A C 2.163 179.762 177.584 0.024 0.000 1.197 418 A CA 2.519 54.572 52.037 0.028 0.000 0.637 418 A CB -0.976 18.037 19.000 0.022 0.000 0.827 418 A HN 0.539 nan 8.150 nan 0.000 0.450 419 L N -0.941 120.295 121.223 0.022 0.000 2.046 419 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 419 L C 2.358 179.240 176.870 0.021 0.000 1.077 419 L CA 1.695 56.546 54.840 0.018 0.000 0.747 419 L CB -0.689 41.380 42.059 0.016 0.000 0.896 419 L HN 0.498 nan 8.230 nan 0.000 0.432 420 I N -1.318 119.268 120.570 0.027 0.000 2.361 420 I HA -0.263 3.907 4.170 -0.001 0.000 0.251 420 I C 2.483 178.618 176.117 0.030 0.000 1.133 420 I CA 0.862 62.179 61.300 0.029 0.000 1.413 420 I CB -0.144 37.877 38.000 0.035 0.000 1.073 420 I HN 0.206 nan 8.210 nan 0.000 0.424 421 R N -0.111 120.409 120.500 0.034 0.000 2.062 421 R HA -0.092 4.248 4.340 -0.001 0.000 0.229 421 R C 2.371 178.685 176.300 0.022 0.000 1.128 421 R CA 1.709 57.828 56.100 0.032 0.000 0.960 421 R CB -1.360 28.962 30.300 0.037 0.000 0.855 421 R HN 0.445 nan 8.270 nan 0.000 0.432 422 V N 0.663 120.588 119.914 0.018 0.000 2.490 422 V HA -0.120 3.999 4.120 -0.001 0.000 0.250 422 V C 2.162 178.263 176.094 0.011 0.000 1.061 422 V CA 2.056 64.364 62.300 0.012 0.000 1.064 422 V CB -0.680 31.148 31.823 0.008 0.000 0.670 422 V HN 0.246 nan 8.190 nan 0.000 0.461 423 A N 1.102 123.929 122.820 0.012 0.000 1.978 423 A HA -0.152 4.167 4.320 -0.001 0.000 0.220 423 A C 2.528 180.118 177.584 0.011 0.000 1.170 423 A CA 2.444 54.487 52.037 0.011 0.000 0.636 423 A CB -0.906 18.102 19.000 0.012 0.000 0.810 423 A HN 1.036 nan 8.150 nan 0.000 0.448 424 S N -0.766 114.942 115.700 0.014 0.000 2.470 424 S HA 0.015 4.485 4.470 -0.001 0.000 0.225 424 S C 1.649 176.255 174.600 0.009 0.000 1.006 424 S CA 0.945 59.152 58.200 0.012 0.000 0.934 424 S CB -0.130 63.078 63.200 0.014 0.000 0.778 424 S HN 0.552 nan 8.310 nan 0.000 0.517 425 K N 1.040 121.445 120.400 0.009 0.000 2.211 425 K HA 0.190 4.510 4.320 -0.001 0.000 0.203 425 K C 1.213 177.816 176.600 0.005 0.000 1.050 425 K CA 0.929 57.220 56.287 0.007 0.000 0.945 425 K CB -0.263 32.241 32.500 0.007 0.000 0.732 425 K HN 0.417 nan 8.250 nan 0.000 0.451 426 L N -0.483 120.743 121.223 0.005 0.000 2.667 426 L HA 0.231 4.571 4.340 -0.001 0.000 0.232 426 L C 1.761 178.632 176.870 0.003 0.000 1.138 426 L CA -0.247 54.595 54.840 0.003 0.000 0.921 426 L CB 0.054 42.115 42.059 0.003 0.000 1.180 426 L HN 0.043 nan 8.230 nan 0.000 0.487 427 A N 0.208 123.030 122.820 0.004 0.000 2.148 427 A HA -0.224 4.095 4.320 -0.001 0.000 0.222 427 A C 1.515 179.101 177.584 0.002 0.000 1.161 427 A CA 1.897 53.936 52.037 0.003 0.000 0.662 427 A CB -0.272 18.730 19.000 0.003 0.000 0.799 427 A HN 0.375 nan 8.150 nan 0.000 0.466 428 D N -1.574 118.827 120.400 0.002 0.000 2.398 428 D HA 0.195 4.835 4.640 -0.001 0.000 0.210 428 D C -0.011 176.290 176.300 0.001 0.000 1.094 428 D CA -0.348 53.653 54.000 0.001 0.000 0.839 428 D CB 0.030 40.831 40.800 0.001 0.000 0.963 428 D HN 0.276 nan 8.370 nan 0.000 0.506 429 L N 1.804 123.028 121.223 0.001 0.000 2.490 429 L HA 0.101 4.440 4.340 -0.001 0.000 0.274 429 L C 0.365 177.236 176.870 0.001 0.000 1.201 429 L CA 0.736 55.577 54.840 0.001 0.000 0.869 429 L CB 0.081 42.141 42.059 0.001 0.000 1.123 429 L HN -0.161 nan 8.230 nan 0.000 0.484 430 R N 2.631 123.132 120.500 0.001 0.000 2.808 430 R HA 0.680 5.019 4.340 -0.001 0.000 0.272 430 R C -0.386 175.915 176.300 0.001 0.000 0.995 430 R CA -0.565 55.535 56.100 0.001 0.000 0.917 430 R CB 1.681 31.982 30.300 0.001 0.000 1.217 430 R HN 0.789 nan 8.270 nan 0.000 0.471 431 G N -0.287 108.514 108.800 0.002 0.000 2.887 431 G HA2 0.218 4.178 3.960 -0.001 0.000 0.277 431 G HA3 0.218 4.178 3.960 -0.001 0.000 0.277 431 G C 0.239 175.140 174.900 0.002 0.000 1.346 431 G CA -0.453 44.648 45.100 0.002 0.000 1.058 431 G HN 0.490 nan 8.290 nan 0.000 0.535 432 Q N -0.337 119.464 119.800 0.002 0.000 2.443 432 Q HA -0.005 4.335 4.340 -0.001 0.000 0.213 432 Q C 0.517 176.519 176.000 0.002 0.000 0.982 432 Q CA 1.123 56.927 55.803 0.002 0.000 0.894 432 Q CB -0.232 28.507 28.738 0.002 0.000 0.947 432 Q HN 0.552 nan 8.270 nan 0.000 0.480 433 N N -1.443 117.258 118.700 0.002 0.000 3.127 433 N HA -0.024 4.716 4.740 -0.001 0.000 0.239 433 N C -0.219 175.292 175.510 0.002 0.000 1.407 433 N CA -0.433 52.618 53.050 0.002 0.000 0.891 433 N CB 1.030 39.518 38.487 0.003 0.000 1.447 433 N HN -0.128 nan 8.380 nan 0.000 0.507 434 E N 0.310 120.511 120.200 0.002 0.000 2.150 434 E HA -0.088 4.262 4.350 -0.001 0.000 0.193 434 E C 0.435 177.037 176.600 0.003 0.000 0.985 434 E CA 1.664 58.065 56.400 0.002 0.000 0.814 434 E CB -0.171 29.530 29.700 0.002 0.000 0.752 434 E HN 0.562 nan 8.360 nan 0.000 0.466 435 D N 0.340 120.742 120.400 0.003 0.000 2.104 435 D HA -0.179 4.461 4.640 -0.001 0.000 0.194 435 D C 1.863 178.165 176.300 0.004 0.000 0.994 435 D CA 1.199 55.202 54.000 0.004 0.000 0.830 435 D CB -0.324 40.478 40.800 0.005 0.000 0.959 435 D HN 0.347 nan 8.370 nan 0.000 0.452 436 Q N -0.028 119.774 119.800 0.004 0.000 2.234 436 Q HA -0.136 4.204 4.340 -0.001 0.000 0.206 436 Q C 1.705 177.707 176.000 0.004 0.000 0.980 436 Q CA 0.824 56.630 55.803 0.004 0.000 0.869 436 Q CB 0.020 28.760 28.738 0.004 0.000 0.912 436 Q HN 0.257 nan 8.270 nan 0.000 0.436 437 N N -0.339 118.362 118.700 0.003 0.000 2.142 437 N HA -0.110 4.630 4.740 -0.001 0.000 0.186 437 N C 1.801 177.313 175.510 0.003 0.000 1.023 437 N CA 0.919 53.971 53.050 0.003 0.000 0.852 437 N CB -0.317 38.172 38.487 0.002 0.000 0.998 437 N HN 0.040 nan 8.380 nan 0.000 0.424 438 V N 1.003 120.919 119.914 0.003 0.000 2.343 438 V HA -0.170 3.949 4.120 -0.001 0.000 0.247 438 V C 2.425 178.521 176.094 0.004 0.000 1.051 438 V CA 2.070 64.372 62.300 0.004 0.000 1.036 438 V CB -1.272 30.553 31.823 0.004 0.000 0.654 438 V HN 0.347 nan 8.190 nan 0.000 0.451 439 G N -0.003 108.800 108.800 0.005 0.000 2.446 439 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.217 439 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.217 439 G C 1.565 176.468 174.900 0.005 0.000 1.168 439 G CA 1.242 46.345 45.100 0.006 0.000 0.771 439 G HN 0.484 nan 8.290 nan 0.000 0.551 440 I N 0.252 120.825 120.570 0.004 0.000 2.118 440 I HA -0.214 3.956 4.170 -0.001 0.000 0.241 440 I C 2.762 178.882 176.117 0.004 0.000 1.070 440 I CA 1.544 62.846 61.300 0.003 0.000 1.327 440 I CB -0.165 37.836 38.000 0.003 0.000 1.034 440 I HN 0.035 nan 8.210 nan 0.000 0.405 441 K N 0.523 120.926 120.400 0.004 0.000 2.147 441 K HA -0.081 4.239 4.320 -0.001 0.000 0.205 441 K C 1.911 178.514 176.600 0.005 0.000 1.049 441 K CA 0.779 57.068 56.287 0.004 0.000 0.936 441 K CB -0.533 31.969 32.500 0.004 0.000 0.722 441 K HN 0.105 nan 8.250 nan 0.000 0.446 442 V N 0.468 120.385 119.914 0.005 0.000 2.282 442 V HA -0.335 3.785 4.120 -0.001 0.000 0.249 442 V C 2.145 178.243 176.094 0.007 0.000 1.057 442 V CA 2.276 64.580 62.300 0.006 0.000 1.032 442 V CB -0.647 31.180 31.823 0.007 0.000 0.645 442 V HN 0.434 nan 8.190 nan 0.000 0.447 443 A N -0.863 121.961 122.820 0.006 0.000 1.930 443 A HA -0.040 4.279 4.320 -0.001 0.000 0.215 443 A C 2.135 179.723 177.584 0.006 0.000 1.176 443 A CA 1.285 53.325 52.037 0.006 0.000 0.632 443 A CB -0.416 18.587 19.000 0.005 0.000 0.819 443 A HN 0.506 nan 8.150 nan 0.000 0.445 444 L N -1.014 120.212 121.223 0.005 0.000 2.013 444 L HA -0.239 4.100 4.340 -0.001 0.000 0.212 444 L C 2.819 179.694 176.870 0.007 0.000 1.073 444 L CA 1.879 56.722 54.840 0.006 0.000 0.753 444 L CB -0.620 41.442 42.059 0.006 0.000 0.890 444 L HN 0.384 nan 8.230 nan 0.000 0.432 445 R N -0.035 120.469 120.500 0.007 0.000 2.083 445 R HA -0.176 4.163 4.340 -0.001 0.000 0.237 445 R C 2.456 178.760 176.300 0.008 0.000 1.137 445 R CA 1.585 57.689 56.100 0.007 0.000 0.951 445 R CB -0.386 29.918 30.300 0.006 0.000 0.851 445 R HN 0.391 nan 8.270 nan 0.000 0.434 446 A N 0.561 123.386 122.820 0.008 0.000 1.940 446 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 446 A C 2.095 179.686 177.584 0.011 0.000 1.176 446 A CA 1.565 53.608 52.037 0.010 0.000 0.631 446 A CB -0.480 18.526 19.000 0.011 0.000 0.814 446 A HN 0.315 nan 8.150 nan 0.000 0.446 447 M N -0.471 119.135 119.600 0.010 0.000 2.419 447 M HA -0.217 4.263 4.480 -0.001 0.000 0.260 447 M C 1.374 177.683 176.300 0.014 0.000 1.073 447 M CA 1.415 56.722 55.300 0.012 0.000 1.056 447 M CB -0.287 32.319 32.600 0.011 0.000 1.394 447 M HN 0.482 nan 8.290 nan 0.000 0.444 448 E N -0.796 119.412 120.200 0.013 0.000 2.489 448 E HA 0.036 4.385 4.350 -0.001 0.000 0.193 448 E C 1.852 178.459 176.600 0.012 0.000 1.057 448 E CA 0.290 56.698 56.400 0.013 0.000 0.866 448 E CB 0.119 29.825 29.700 0.010 0.000 0.916 448 E HN 0.524 nan 8.360 nan 0.000 0.500 449 A N 2.237 125.064 122.820 0.012 0.000 1.845 449 A HA -0.103 4.216 4.320 -0.001 0.000 0.215 449 A C -0.322 177.270 177.584 0.013 0.000 1.195 449 A CA 1.118 53.161 52.037 0.011 0.000 0.616 449 A CB -1.382 17.625 19.000 0.012 0.000 0.832 449 A HN 0.116 nan 8.150 nan 0.000 0.443 450 P HA -0.142 nan 4.420 nan 0.000 0.215 450 P C 1.795 179.108 177.300 0.022 0.000 1.153 450 P CA 0.834 63.946 63.100 0.019 0.000 0.853 450 P CB -0.106 31.607 31.700 0.021 0.000 0.788 451 L N -0.794 120.444 121.223 0.024 0.000 2.012 451 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 451 L C 2.397 179.276 176.870 0.015 0.000 1.073 451 L CA 1.774 56.631 54.840 0.028 0.000 0.748 451 L CB -0.215 41.863 42.059 0.032 0.000 0.891 451 L HN -0.183 nan 8.230 nan 0.000 0.431 452 R N -1.018 119.486 120.500 0.007 0.000 2.189 452 R HA -0.125 4.214 4.340 -0.001 0.000 0.223 452 R C 2.283 178.582 176.300 -0.002 0.000 1.092 452 R CA 0.954 57.052 56.100 -0.004 0.000 0.989 452 R CB -0.018 30.280 30.300 -0.003 0.000 0.876 452 R HN 0.440 nan 8.270 nan 0.000 0.457 453 Q N -0.071 119.733 119.800 0.007 0.000 2.250 453 Q HA 0.049 4.388 4.340 -0.001 0.000 0.200 453 Q C 2.074 178.081 176.000 0.013 0.000 0.941 453 Q CA 0.780 56.588 55.803 0.008 0.000 0.872 453 Q CB 0.284 29.028 28.738 0.010 0.000 0.965 453 Q HN 0.391 nan 8.270 nan 0.000 0.480 454 I N 0.110 120.693 120.570 0.021 0.000 2.208 454 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 454 I C 2.178 178.319 176.117 0.040 0.000 1.097 454 I CA 1.010 62.331 61.300 0.034 0.000 1.363 454 I CB -0.218 37.812 38.000 0.049 0.000 1.051 454 I HN -0.015 nan 8.210 nan 0.000 0.413 455 V N 0.401 120.328 119.914 0.023 0.000 2.548 455 V HA -0.219 3.901 4.120 -0.001 0.000 0.249 455 V C 2.259 178.348 176.094 -0.007 0.000 1.055 455 V CA 1.118 63.417 62.300 -0.003 0.000 1.065 455 V CB -0.240 31.530 31.823 -0.088 0.000 0.681 455 V HN 0.305 nan 8.190 nan 0.000 0.462 456 L N 0.340 121.560 121.223 -0.005 0.000 2.156 456 L HA -0.044 4.295 4.340 -0.001 0.000 0.208 456 L C 1.956 178.828 176.870 0.003 0.000 1.095 456 L CA 1.770 56.608 54.840 -0.005 0.000 0.770 456 L CB -1.021 41.036 42.059 -0.004 0.000 0.914 456 L HN 0.381 nan 8.230 nan 0.000 0.439 457 N N -2.079 116.627 118.700 0.009 0.000 2.459 457 N HA -0.139 4.600 4.740 -0.001 0.000 0.181 457 N C 1.252 176.771 175.510 0.015 0.000 1.046 457 N CA 0.963 54.020 53.050 0.011 0.000 0.904 457 N CB -0.033 38.462 38.487 0.012 0.000 0.964 457 N HN 0.372 nan 8.380 nan 0.000 0.444 458 C N -0.010 119.303 119.300 0.023 0.000 2.791 458 C HA 0.272 4.732 4.460 -0.001 0.000 0.270 458 C C 1.628 176.629 174.990 0.019 0.000 1.257 458 C CA -0.321 58.715 59.018 0.029 0.000 1.699 458 C CB -0.897 26.879 27.740 0.060 0.000 1.904 458 C HN 0.573 nan 8.230 nan 0.000 0.603 459 G N 1.913 110.718 108.800 0.009 0.000 2.225 459 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.267 459 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.267 459 G C -0.204 174.696 174.900 -0.000 0.000 1.024 459 G CA 0.601 45.703 45.100 0.003 0.000 0.784 459 G HN 0.655 nan 8.290 nan 0.000 0.507 460 E N -0.422 119.773 120.200 -0.008 0.000 2.390 460 E HA 0.519 4.868 4.350 -0.001 0.000 0.249 460 E C -0.005 176.570 176.600 -0.042 0.000 0.981 460 E CA -0.879 55.505 56.400 -0.026 0.000 0.860 460 E CB 0.852 30.526 29.700 -0.044 0.000 1.278 460 E HN 0.422 nan 8.360 nan 0.000 0.416 461 E N 1.807 121.975 120.200 -0.054 0.000 2.044 461 E HA 0.109 4.458 4.350 -0.001 0.000 0.282 461 E C -1.985 174.576 176.600 -0.065 0.000 1.031 461 E CA -1.736 54.637 56.400 -0.045 0.000 0.824 461 E CB 0.841 30.523 29.700 -0.030 0.000 1.076 461 E HN 0.228 nan 8.360 nan 0.000 0.395 462 P HA -0.230 nan 4.420 nan 0.000 0.217 462 P C 1.113 178.385 177.300 -0.046 0.000 1.148 462 P CA 1.373 64.441 63.100 -0.054 0.000 0.834 462 P CB 0.175 31.857 31.700 -0.030 0.000 0.783 463 S N -2.474 113.206 115.700 -0.034 0.000 2.524 463 S HA 0.061 4.531 4.470 -0.001 0.000 0.216 463 S C 1.858 176.444 174.600 -0.024 0.000 0.987 463 S CA 0.038 58.224 58.200 -0.023 0.000 0.909 463 S CB -0.978 62.213 63.200 -0.015 0.000 0.781 463 S HN -0.045 nan 8.310 nan 0.000 0.521 464 V N 1.468 121.362 119.914 -0.033 0.000 2.379 464 V HA -0.053 4.066 4.120 -0.001 0.000 0.243 464 V C 2.483 178.559 176.094 -0.030 0.000 1.035 464 V CA 1.170 63.455 62.300 -0.025 0.000 1.035 464 V CB -0.453 31.358 31.823 -0.020 0.000 0.673 464 V HN 0.385 nan 8.190 nan 0.000 0.457 465 V N 0.444 120.310 119.914 -0.080 0.000 2.233 465 V HA -0.288 3.831 4.120 -0.001 0.000 0.247 465 V C 2.768 178.843 176.094 -0.031 0.000 1.050 465 V CA 2.270 64.504 62.300 -0.109 0.000 1.010 465 V CB -1.180 30.412 31.823 -0.385 0.000 0.637 465 V HN 0.556 nan 8.190 nan 0.000 0.444 466 A N 0.234 123.033 122.820 -0.035 0.000 1.927 466 A HA -0.323 3.996 4.320 -0.001 0.000 0.220 466 A C 2.020 179.607 177.584 0.005 0.000 1.185 466 A CA 2.492 54.527 52.037 -0.004 0.000 0.639 466 A CB -0.885 18.112 19.000 -0.005 0.000 0.820 466 A HN 0.622 nan 8.150 nan 0.000 0.451 467 N N -0.303 118.394 118.700 -0.005 0.000 2.069 467 N HA -0.147 4.592 4.740 -0.001 0.000 0.191 467 N C 2.033 177.539 175.510 -0.008 0.000 1.031 467 N CA 2.452 55.499 53.050 -0.004 0.000 0.852 467 N CB -0.894 37.586 38.487 -0.010 0.000 1.018 467 N HN 0.738 nan 8.380 nan 0.000 0.423 468 T N -1.776 112.757 114.554 -0.034 0.000 2.867 468 T HA -0.015 4.334 4.350 -0.001 0.000 0.268 468 T C 2.029 176.739 174.700 0.016 0.000 1.057 468 T CA 0.992 63.044 62.100 -0.081 0.000 1.136 468 T CB -0.678 68.028 68.868 -0.269 0.000 0.874 468 T HN -0.062 nan 8.240 nan 0.000 0.466 469 V N 1.601 121.533 119.914 0.030 0.000 2.427 469 V HA -0.105 4.015 4.120 -0.001 0.000 0.248 469 V C 2.839 179.015 176.094 0.137 0.000 1.051 469 V CA 1.755 64.114 62.300 0.099 0.000 1.048 469 V CB -0.596 31.272 31.823 0.076 0.000 0.666 469 V HN 0.501 nan 8.190 nan 0.000 0.456 470 K N 0.327 120.770 120.400 0.073 0.000 2.057 470 K HA -0.092 4.228 4.320 -0.001 0.000 0.206 470 K C 2.146 178.778 176.600 0.054 0.000 1.050 470 K CA 1.327 57.648 56.287 0.057 0.000 0.935 470 K CB -0.623 31.895 32.500 0.030 0.000 0.715 470 K HN 0.553 nan 8.250 nan 0.000 0.439 471 G N 0.661 109.486 108.800 0.042 0.000 2.564 471 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.216 471 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.216 471 G C 0.659 175.549 174.900 -0.017 0.000 1.124 471 G CA 0.801 45.906 45.100 0.008 0.000 0.764 471 G HN 0.378 nan 8.290 nan 0.000 0.550 472 G N -1.231 107.595 108.800 0.043 0.000 2.890 472 G HA2 0.545 4.504 3.960 -0.001 0.000 0.189 472 G HA3 0.545 4.504 3.960 -0.001 0.000 0.189 472 G C -1.392 173.510 174.900 0.003 0.000 1.342 472 G CA -0.399 44.653 45.100 -0.079 0.000 1.026 472 G HN 0.080 nan 8.290 nan 0.000 0.579 473 D N -2.219 118.187 120.400 0.010 0.000 2.596 473 D HA 0.518 5.158 4.640 -0.001 0.000 0.234 473 D C 0.930 177.271 176.300 0.069 0.000 1.181 473 D CA 0.679 54.692 54.000 0.021 0.000 0.856 473 D CB 1.756 42.538 40.800 -0.031 0.000 1.498 473 D HN 0.841 nan 8.370 nan 0.000 0.446 474 G N 1.853 110.685 108.800 0.053 0.000 2.690 474 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.334 474 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.334 474 G C 0.457 175.409 174.900 0.088 0.000 1.250 474 G CA 0.760 45.894 45.100 0.057 0.000 0.994 474 G HN 0.653 nan 8.290 nan 0.000 0.549 475 N N -0.117 118.643 118.700 0.100 0.000 2.279 475 N HA 0.277 5.017 4.740 -0.001 0.000 0.226 475 N C -0.153 175.456 175.510 0.165 0.000 1.126 475 N CA -0.309 52.804 53.050 0.106 0.000 0.846 475 N CB 0.377 38.908 38.487 0.074 0.000 1.050 475 N HN 0.432 nan 8.380 nan 0.000 0.502 476 Y N 1.664 121.991 120.300 0.045 0.000 2.442 476 Y HA 0.383 4.932 4.550 -0.001 0.000 0.330 476 Y C 0.619 176.580 175.900 0.101 0.000 1.129 476 Y CA 0.118 58.258 58.100 0.067 0.000 1.365 476 Y CB 0.320 38.810 38.460 0.049 0.000 1.233 476 Y HN 0.045 nan 8.280 nan 0.000 0.529 477 G N 3.966 112.641 108.800 -0.209 0.000 2.606 477 G HA2 0.282 4.241 3.960 -0.001 0.000 0.300 477 G HA3 0.282 4.241 3.960 -0.001 0.000 0.300 477 G C -2.495 172.351 174.900 -0.089 0.000 1.360 477 G CA -0.928 44.091 45.100 -0.135 0.000 0.783 477 G HN 0.536 nan 8.290 nan 0.000 0.484 478 Y N 1.497 121.725 120.300 -0.120 0.000 2.331 478 Y HA 0.597 5.146 4.550 -0.001 0.000 0.338 478 Y C -0.117 175.666 175.900 -0.195 0.000 0.992 478 Y CA -1.516 56.456 58.100 -0.213 0.000 1.121 478 Y CB 1.569 39.926 38.460 -0.171 0.000 1.184 478 Y HN 0.418 nan 8.280 nan 0.000 0.469 479 N N 4.963 123.150 118.700 -0.855 0.000 2.469 479 N HA 0.198 4.937 4.740 -0.001 0.000 0.239 479 N C 0.491 175.436 175.510 -0.942 0.000 1.053 479 N CA 0.577 53.241 53.050 -0.643 0.000 0.937 479 N CB 1.275 39.524 38.487 -0.397 0.000 1.163 479 N HN 0.928 nan 8.380 nan 0.000 0.509 480 A N 4.027 126.513 122.820 -0.556 0.000 1.908 480 A HA -0.111 4.209 4.320 -0.001 0.000 0.218 480 A C 2.076 179.531 177.584 -0.216 0.000 1.181 480 A CA 1.884 53.757 52.037 -0.273 0.000 0.627 480 A CB -0.702 18.304 19.000 0.010 0.000 0.818 480 A HN 0.705 nan 8.150 nan 0.000 0.445 481 A N -0.555 122.152 122.820 -0.189 0.000 1.902 481 A HA -0.059 4.260 4.320 -0.001 0.000 0.217 481 A C 2.210 179.705 177.584 -0.147 0.000 1.181 481 A CA 2.298 54.259 52.037 -0.127 0.000 0.623 481 A CB -1.000 17.942 19.000 -0.096 0.000 0.818 481 A HN 0.845 nan 8.150 nan 0.000 0.443 482 T N -1.995 112.428 114.554 -0.218 0.000 3.105 482 T HA 0.211 4.560 4.350 -0.001 0.000 0.253 482 T C 0.214 174.787 174.700 -0.212 0.000 1.047 482 T CA 0.508 62.502 62.100 -0.176 0.000 0.944 482 T CB -0.415 68.362 68.868 -0.151 0.000 1.016 482 T HN 0.652 nan 8.240 nan 0.000 0.544 483 E N 1.821 121.840 120.200 -0.301 0.000 2.216 483 E HA -0.262 4.087 4.350 -0.001 0.000 0.219 483 E C -0.471 175.920 176.600 -0.348 0.000 1.317 483 E CA 0.914 57.121 56.400 -0.322 0.000 0.716 483 E CB -2.177 27.504 29.700 -0.031 0.000 1.135 483 E HN 0.939 nan 8.360 nan 0.000 0.359 484 E N -0.527 119.370 120.200 -0.506 0.000 2.367 484 E HA 0.523 4.872 4.350 -0.001 0.000 0.273 484 E C -0.750 175.577 176.600 -0.456 0.000 0.903 484 E CA -1.083 55.096 56.400 -0.368 0.000 0.764 484 E CB 0.867 30.495 29.700 -0.121 0.000 1.252 484 E HN 0.102 nan 8.360 nan 0.000 0.446 485 Y N 0.202 120.476 120.300 -0.042 0.000 2.300 485 Y HA 0.583 5.133 4.550 -0.000 0.000 0.328 485 Y C 1.142 177.012 175.900 -0.050 0.000 1.270 485 Y CA 0.862 58.896 58.100 -0.110 0.000 1.352 485 Y CB 1.573 39.973 38.460 -0.101 0.000 1.286 485 Y HN 0.837 nan 8.280 nan 0.000 0.536 486 G N 0.673 109.514 108.800 0.068 0.000 2.323 486 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.291 486 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.291 486 G C -1.891 173.103 174.900 0.157 0.000 1.278 486 G CA -1.193 44.010 45.100 0.172 0.000 0.860 486 G HN 0.536 nan 8.290 nan 0.000 0.504 487 N N 1.030 119.815 118.700 0.141 0.000 2.411 487 N HA 0.127 4.866 4.740 -0.001 0.000 0.259 487 N C 1.637 177.179 175.510 0.054 0.000 1.103 487 N CA -0.424 52.693 53.050 0.113 0.000 0.954 487 N CB 0.853 39.394 38.487 0.090 0.000 1.085 487 N HN 0.400 nan 8.380 nan 0.000 0.485 488 M N 3.491 123.118 119.600 0.044 0.000 2.296 488 M HA -0.099 4.381 4.480 -0.001 0.000 0.265 488 M C 1.538 177.848 176.300 0.016 0.000 1.064 488 M CA 0.693 56.003 55.300 0.015 0.000 1.109 488 M CB -0.369 32.239 32.600 0.014 0.000 1.396 488 M HN 0.531 nan 8.290 nan 0.000 0.430 489 I N 0.868 121.454 120.570 0.026 0.000 2.252 489 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 489 I C 1.796 177.922 176.117 0.015 0.000 1.102 489 I CA 1.424 62.736 61.300 0.019 0.000 1.385 489 I CB -1.299 36.715 38.000 0.022 0.000 1.064 489 I HN 0.243 nan 8.210 nan 0.000 0.414 490 D N 0.505 120.916 120.400 0.019 0.000 2.178 490 D HA -0.125 4.515 4.640 -0.001 0.000 0.202 490 D C 2.230 178.534 176.300 0.006 0.000 0.974 490 D CA 1.015 55.024 54.000 0.015 0.000 0.841 490 D CB -0.073 40.741 40.800 0.023 0.000 0.953 490 D HN 0.349 nan 8.370 nan 0.000 0.478 491 M N -0.718 118.883 119.600 0.001 0.000 2.595 491 M HA 0.130 4.609 4.480 -0.001 0.000 0.248 491 M C 1.086 177.377 176.300 -0.016 0.000 1.119 491 M CA 0.612 55.904 55.300 -0.014 0.000 1.079 491 M CB 0.337 32.919 32.600 -0.030 0.000 1.472 491 M HN 0.024 nan 8.290 nan 0.000 0.501 492 G N 2.388 111.184 108.800 -0.007 0.000 2.198 492 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.257 492 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.257 492 G C 0.015 174.910 174.900 -0.009 0.000 1.042 492 G CA -0.218 44.879 45.100 -0.006 0.000 0.791 492 G HN 0.550 nan 8.290 nan 0.000 0.502 493 I N 1.280 121.843 120.570 -0.011 0.000 2.318 493 I HA 0.309 4.479 4.170 -0.001 0.000 0.285 493 I C 0.551 176.667 176.117 -0.001 0.000 1.127 493 I CA -0.370 60.922 61.300 -0.012 0.000 1.243 493 I CB 0.197 38.182 38.000 -0.025 0.000 1.498 493 I HN 0.014 nan 8.210 nan 0.000 0.535 494 L N 3.928 125.153 121.223 0.003 0.000 2.282 494 L HA 0.499 4.839 4.340 -0.001 0.000 0.288 494 L C -0.418 176.459 176.870 0.012 0.000 1.033 494 L CA -0.707 54.139 54.840 0.009 0.000 0.807 494 L CB 1.207 43.272 42.059 0.009 0.000 1.209 494 L HN 0.318 nan 8.230 nan 0.000 0.423 495 D N 3.791 124.200 120.400 0.014 0.000 2.175 495 D HA 0.358 4.997 4.640 -0.001 0.000 0.248 495 D C -2.429 173.883 176.300 0.019 0.000 1.047 495 D CA -1.491 52.520 54.000 0.017 0.000 0.883 495 D CB 1.797 42.608 40.800 0.018 0.000 1.180 495 D HN 0.217 nan 8.370 nan 0.000 0.438 496 P HA 0.126 nan 4.420 nan 0.000 0.276 496 P C 0.706 178.019 177.300 0.021 0.000 1.243 496 P CA -0.202 62.912 63.100 0.023 0.000 0.768 496 P CB 0.749 32.468 31.700 0.031 0.000 0.856 497 T N 2.773 117.337 114.554 0.017 0.000 2.635 497 T HA -0.250 4.100 4.350 -0.001 0.000 0.267 497 T C 1.616 176.323 174.700 0.012 0.000 1.040 497 T CA 1.593 63.700 62.100 0.013 0.000 1.156 497 T CB -0.521 68.353 68.868 0.010 0.000 0.863 497 T HN 0.504 nan 8.240 nan 0.000 0.430 498 K N 0.831 121.241 120.400 0.016 0.000 2.242 498 K HA -0.172 4.148 4.320 -0.001 0.000 0.206 498 K C 2.279 178.895 176.600 0.026 0.000 1.045 498 K CA 1.610 57.908 56.287 0.019 0.000 0.930 498 K CB -0.337 32.181 32.500 0.029 0.000 0.726 498 K HN 0.374 nan 8.250 nan 0.000 0.462 499 V N -0.799 119.134 119.914 0.031 0.000 2.379 499 V HA -0.125 3.995 4.120 -0.001 0.000 0.243 499 V C 1.714 177.825 176.094 0.029 0.000 1.035 499 V CA 2.125 64.449 62.300 0.039 0.000 1.035 499 V CB -0.575 31.273 31.823 0.041 0.000 0.673 499 V HN 0.328 nan 8.190 nan 0.000 0.457 500 T N 0.911 115.476 114.554 0.020 0.000 2.737 500 T HA -0.206 4.144 4.350 -0.001 0.000 0.269 500 T C 2.057 176.757 174.700 0.001 0.000 1.040 500 T CA 2.150 64.258 62.100 0.013 0.000 1.142 500 T CB -0.445 68.430 68.868 0.011 0.000 0.861 500 T HN 0.528 nan 8.240 nan 0.000 0.456 501 R N 0.803 121.297 120.500 -0.010 0.000 2.093 501 R HA 0.050 4.389 4.340 -0.001 0.000 0.224 501 R C 2.396 178.647 176.300 -0.082 0.000 1.101 501 R CA 1.280 57.356 56.100 -0.039 0.000 0.979 501 R CB -0.480 29.795 30.300 -0.040 0.000 0.877 501 R HN 0.288 nan 8.270 nan 0.000 0.441 502 S N 0.977 116.640 115.700 -0.062 0.000 2.368 502 S HA -0.035 4.434 4.470 -0.001 0.000 0.224 502 S C 2.059 176.649 174.600 -0.017 0.000 1.029 502 S CA 1.010 59.134 58.200 -0.126 0.000 0.988 502 S CB -0.187 63.065 63.200 0.087 0.000 0.838 502 S HN 0.524 nan 8.310 nan 0.000 0.462 503 A N 1.772 124.635 122.820 0.071 0.000 1.892 503 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 503 A C 2.099 179.707 177.584 0.039 0.000 1.188 503 A CA 1.365 53.454 52.037 0.085 0.000 0.631 503 A CB -0.819 18.215 19.000 0.057 0.000 0.822 503 A HN 0.467 nan 8.150 nan 0.000 0.447 504 L N -0.956 120.260 121.223 -0.012 0.000 2.056 504 L HA -0.206 4.134 4.340 -0.001 0.000 0.207 504 L C 2.739 179.579 176.870 -0.051 0.000 1.078 504 L CA 1.934 56.761 54.840 -0.022 0.000 0.749 504 L CB -0.620 41.421 42.059 -0.029 0.000 0.901 504 L HN 0.552 nan 8.230 nan 0.000 0.433 505 Q N -1.084 118.628 119.800 -0.148 0.000 2.020 505 Q HA -0.242 4.097 4.340 -0.001 0.000 0.202 505 Q C 2.062 177.958 176.000 -0.173 0.000 0.982 505 Q CA 1.941 57.600 55.803 -0.239 0.000 0.838 505 Q CB -0.200 28.280 28.738 -0.430 0.000 0.899 505 Q HN 0.459 nan 8.270 nan 0.000 0.423 506 Y N -0.058 120.245 120.300 0.005 0.000 2.242 506 Y HA -0.119 4.431 4.550 -0.000 0.000 0.291 506 Y C 2.283 178.185 175.900 0.004 0.000 1.137 506 Y CA 0.734 58.837 58.100 0.004 0.000 1.181 506 Y CB -0.849 37.613 38.460 0.003 0.000 0.989 506 Y HN 0.138 nan 8.280 nan 0.000 0.527 507 A N 0.143 123.057 122.820 0.157 0.000 1.858 507 A HA -0.109 4.211 4.320 -0.001 0.000 0.216 507 A C 2.520 180.142 177.584 0.062 0.000 1.190 507 A CA 2.058 54.149 52.037 0.090 0.000 0.617 507 A CB -1.318 17.720 19.000 0.063 0.000 0.827 507 A HN 0.364 nan 8.150 nan 0.000 0.443 508 A N -0.779 122.065 122.820 0.040 0.000 1.908 508 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 508 A C 2.491 180.096 177.584 0.034 0.000 1.181 508 A CA 2.381 54.433 52.037 0.025 0.000 0.627 508 A CB -1.112 17.892 19.000 0.006 0.000 0.818 508 A HN 0.602 nan 8.150 nan 0.000 0.445 509 S N -0.850 114.879 115.700 0.048 0.000 2.359 509 S HA -0.183 4.287 4.470 -0.001 0.000 0.223 509 S C 2.075 176.709 174.600 0.057 0.000 1.039 509 S CA 2.312 60.547 58.200 0.058 0.000 1.042 509 S CB -0.745 62.514 63.200 0.098 0.000 0.915 509 S HN 1.038 nan 8.310 nan 0.000 0.439 510 V N 1.350 121.304 119.914 0.066 0.000 2.302 510 V HA 0.142 4.262 4.120 -0.001 0.000 0.243 510 V C 2.497 178.612 176.094 0.036 0.000 1.036 510 V CA 1.913 64.241 62.300 0.047 0.000 1.020 510 V CB -1.534 30.315 31.823 0.043 0.000 0.657 510 V HN 0.538 nan 8.190 nan 0.000 0.453 511 A N 0.909 123.751 122.820 0.036 0.000 1.940 511 A HA -0.183 4.137 4.320 -0.001 0.000 0.221 511 A C 2.457 180.056 177.584 0.025 0.000 1.190 511 A CA 2.775 54.829 52.037 0.029 0.000 0.647 511 A CB -1.850 17.166 19.000 0.027 0.000 0.821 511 A HN 0.939 nan 8.150 nan 0.000 0.457 512 G N -0.485 108.330 108.800 0.025 0.000 2.491 512 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.218 512 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.218 512 G C 1.598 176.511 174.900 0.022 0.000 1.180 512 G CA 1.185 46.298 45.100 0.021 0.000 0.774 512 G HN 0.459 nan 8.290 nan 0.000 0.562 513 L N -0.268 120.969 121.223 0.024 0.000 1.994 513 L HA -0.053 4.287 4.340 -0.001 0.000 0.208 513 L C 3.146 180.030 176.870 0.023 0.000 1.071 513 L CA 1.172 56.026 54.840 0.024 0.000 0.745 513 L CB -0.268 41.806 42.059 0.025 0.000 0.892 513 L HN 0.227 nan 8.230 nan 0.000 0.431 514 M N -0.247 119.367 119.600 0.024 0.000 2.260 514 M HA -0.235 4.245 4.480 -0.001 0.000 0.261 514 M C 1.978 178.292 176.300 0.023 0.000 1.066 514 M CA 1.698 57.012 55.300 0.024 0.000 1.082 514 M CB -0.379 32.236 32.600 0.024 0.000 1.388 514 M HN 0.387 nan 8.290 nan 0.000 0.419 515 I N -2.856 117.726 120.570 0.021 0.000 3.793 515 I HA 0.044 4.214 4.170 -0.001 0.000 0.315 515 I C 1.349 177.478 176.117 0.021 0.000 1.275 515 I CA 0.692 62.004 61.300 0.020 0.000 1.214 515 I CB -0.525 37.485 38.000 0.017 0.000 1.018 515 I HN 0.114 nan 8.210 nan 0.000 0.439 516 T N -2.295 112.272 114.554 0.022 0.000 3.186 516 T HA 0.198 4.548 4.350 -0.001 0.000 0.257 516 T C 0.612 175.329 174.700 0.029 0.000 1.029 516 T CA -0.270 61.845 62.100 0.024 0.000 0.916 516 T CB -0.768 68.114 68.868 0.023 0.000 1.041 516 T HN 0.193 nan 8.240 nan 0.000 0.562 517 T N 2.683 117.254 114.554 0.029 0.000 2.853 517 T HA 0.185 4.535 4.350 -0.001 0.000 0.298 517 T C 0.840 175.565 174.700 0.042 0.000 0.978 517 T CA 0.065 62.185 62.100 0.033 0.000 1.152 517 T CB 1.299 70.184 68.868 0.030 0.000 0.914 517 T HN 0.457 nan 8.240 nan 0.000 0.539 518 E N 0.995 121.229 120.200 0.057 0.000 2.453 518 E HA 0.194 4.544 4.350 -0.001 0.000 0.211 518 E C 0.202 176.877 176.600 0.125 0.000 0.897 518 E CA -0.075 56.380 56.400 0.091 0.000 1.063 518 E CB 0.554 30.314 29.700 0.099 0.000 1.080 518 E HN 0.635 nan 8.360 nan 0.000 0.512 519 C N 0.156 119.492 119.300 0.060 0.000 2.971 519 C HA 0.799 5.259 4.460 -0.001 0.000 0.310 519 C C -1.428 173.514 174.990 -0.081 0.000 1.285 519 C CA -0.633 58.341 59.018 -0.073 0.000 1.593 519 C CB 0.860 28.553 27.740 -0.078 0.000 2.076 519 C HN 0.394 nan 8.230 nan 0.000 0.472 520 M N 3.756 123.282 119.600 -0.123 0.000 2.277 520 M HA 0.459 4.938 4.480 -0.001 0.000 0.282 520 M C -1.315 175.033 176.300 0.080 0.000 1.074 520 M CA -0.340 54.986 55.300 0.043 0.000 0.954 520 M CB 2.060 34.774 32.600 0.191 0.000 1.672 520 M HN 0.391 nan 8.290 nan 0.000 0.471 521 V N 1.628 121.555 119.914 0.022 0.000 2.513 521 V HA 0.892 5.012 4.120 -0.001 0.000 0.299 521 V C -0.113 175.931 176.094 -0.084 0.000 1.035 521 V CA -0.256 62.033 62.300 -0.017 0.000 0.889 521 V CB 1.928 33.725 31.823 -0.042 0.000 0.988 521 V HN 0.964 nan 8.190 nan 0.000 0.440 522 T N 2.228 116.690 114.554 -0.154 0.000 2.658 522 T HA 0.329 4.679 4.350 -0.001 0.000 0.306 522 T C -1.868 172.707 174.700 -0.208 0.000 1.544 522 T CA -0.486 61.461 62.100 -0.255 0.000 0.991 522 T CB 1.792 70.355 68.868 -0.508 0.000 1.774 522 T HN 0.613 nan 8.240 nan 0.000 0.479 523 D N 0.970 121.245 120.400 -0.209 0.000 2.294 523 D HA 0.520 5.160 4.640 -0.001 0.000 0.250 523 D C -0.040 176.190 176.300 -0.117 0.000 1.058 523 D CA -0.290 53.634 54.000 -0.127 0.000 0.950 523 D CB 0.727 41.468 40.800 -0.099 0.000 1.158 523 D HN 0.445 nan 8.370 nan 0.000 0.453 524 L N 2.660 123.847 121.223 -0.061 0.000 2.456 524 L HA 0.184 4.524 4.340 -0.001 0.000 0.272 524 L C -1.415 175.433 176.870 -0.036 0.000 1.189 524 L CA -1.300 53.521 54.840 -0.031 0.000 0.846 524 L CB 0.141 42.193 42.059 -0.011 0.000 1.111 524 L HN 0.328 nan 8.230 nan 0.000 0.475 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.091 63.100 -0.015 0.000 0.800 525 P CB 0.000 31.704 31.700 0.007 0.000 0.726