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 1aon_1_N 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 0.000 177.578 177.584 -0.010 0.000 1.274 2 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 2 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 3 A N 3.397 126.212 122.820 -0.008 0.000 2.454 3 A HA 0.603 4.923 4.320 -0.000 0.000 0.260 3 A C 0.412 177.990 177.584 -0.009 0.000 1.106 3 A CA 0.037 52.073 52.037 -0.002 0.000 0.780 3 A CB 0.187 19.189 19.000 0.003 0.000 1.044 3 A HN 0.592 nan 8.150 nan 0.000 0.498 4 K N 1.397 121.796 120.400 -0.002 0.000 2.132 4 K HA 0.437 4.757 4.320 -0.000 0.000 0.241 4 K C -0.835 175.772 176.600 0.013 0.000 1.000 4 K CA -0.662 55.619 56.287 -0.011 0.000 0.911 4 K CB 0.916 33.413 32.500 -0.004 0.000 1.093 4 K HN 0.721 nan 8.250 nan 0.000 0.460 5 D N 0.456 120.858 120.400 0.002 0.000 2.375 5 D HA 0.381 5.021 4.640 -0.000 0.000 0.247 5 D C -1.377 175.065 176.300 0.236 0.000 1.061 5 D CA -0.640 53.412 54.000 0.087 0.000 0.834 5 D CB 1.336 42.140 40.800 0.007 0.000 1.247 5 D HN 0.056 nan 8.370 nan 0.000 0.489 6 V N 4.157 124.235 119.914 0.273 0.000 2.531 6 V HA 0.463 4.583 4.120 -0.000 0.000 0.301 6 V C 0.031 176.221 176.094 0.160 0.000 1.034 6 V CA -0.799 61.631 62.300 0.215 0.000 0.865 6 V CB 1.867 33.760 31.823 0.116 0.000 0.995 6 V HN 0.412 nan 8.190 nan 0.000 0.424 7 K N 3.476 123.816 120.400 -0.100 0.000 2.328 7 K HA 0.785 5.105 4.320 -0.000 0.000 0.246 7 K C -1.610 174.832 176.600 -0.262 0.000 0.955 7 K CA -0.559 55.623 56.287 -0.175 0.000 0.817 7 K CB 2.474 34.623 32.500 -0.586 0.000 1.208 7 K HN 0.421 nan 8.250 nan 0.000 0.432 8 F N -0.381 119.497 119.950 -0.120 0.000 2.611 8 F HA 0.404 4.931 4.527 -0.000 0.000 0.324 8 F C 1.328 177.078 175.800 -0.082 0.000 1.061 8 F CA -0.051 57.901 58.000 -0.080 0.000 0.954 8 F CB 1.259 40.232 39.000 -0.045 0.000 1.301 8 F HN 0.814 nan 8.300 nan 0.000 0.482 9 G N 1.734 110.623 108.800 0.149 0.000 2.698 9 G HA2 -0.470 3.490 3.960 -0.000 0.000 0.346 9 G HA3 -0.470 3.490 3.960 -0.000 0.000 0.346 9 G C 1.148 176.053 174.900 0.009 0.000 1.287 9 G CA 1.408 46.547 45.100 0.064 0.000 0.990 9 G HN 0.672 nan 8.290 nan 0.000 0.545 10 N N 1.334 120.037 118.700 0.006 0.000 2.028 10 N HA -0.008 4.732 4.740 -0.000 0.000 0.194 10 N C 1.848 177.332 175.510 -0.042 0.000 1.050 10 N CA 1.804 54.844 53.050 -0.017 0.000 0.848 10 N CB -0.690 37.791 38.487 -0.011 0.000 1.038 10 N HN 0.614 nan 8.380 nan 0.000 0.423 11 D N 0.257 120.635 120.400 -0.037 0.000 2.242 11 D HA -0.264 4.376 4.640 -0.000 0.000 0.190 11 D C 1.706 177.905 176.300 -0.169 0.000 1.012 11 D CA 2.009 55.963 54.000 -0.078 0.000 0.875 11 D CB -0.487 40.283 40.800 -0.050 0.000 0.922 11 D HN 0.384 nan 8.370 nan 0.000 0.448 12 A N 0.391 123.104 122.820 -0.178 0.000 1.832 12 A HA -0.157 4.163 4.320 -0.000 0.000 0.214 12 A C 2.147 179.629 177.584 -0.169 0.000 1.200 12 A CA 1.622 53.498 52.037 -0.268 0.000 0.610 12 A CB -0.535 18.336 19.000 -0.215 0.000 0.842 12 A HN 0.101 nan 8.150 nan 0.000 0.444 13 R N -0.576 119.867 120.500 -0.095 0.000 2.103 13 R HA -0.141 4.199 4.340 -0.000 0.000 0.242 13 R C 2.042 178.314 176.300 -0.048 0.000 1.142 13 R CA 1.590 57.656 56.100 -0.057 0.000 0.960 13 R CB -0.783 29.497 30.300 -0.033 0.000 0.858 13 R HN 0.406 nan 8.270 nan 0.000 0.439 14 V N 1.553 121.437 119.914 -0.051 0.000 2.287 14 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 14 V C 2.347 178.422 176.094 -0.032 0.000 1.053 14 V CA 1.679 63.958 62.300 -0.035 0.000 1.027 14 V CB -0.409 31.394 31.823 -0.033 0.000 0.646 14 V HN 0.226 nan 8.190 nan 0.000 0.447 15 K N -0.460 119.906 120.400 -0.057 0.000 2.032 15 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 15 K C 2.142 178.745 176.600 0.005 0.000 1.048 15 K CA 1.749 58.022 56.287 -0.023 0.000 0.927 15 K CB -0.630 31.834 32.500 -0.059 0.000 0.712 15 K HN 0.409 nan 8.250 nan 0.000 0.441 16 M N 0.192 119.784 119.600 -0.014 0.000 2.106 16 M HA -0.219 4.261 4.480 -0.000 0.000 0.259 16 M C 2.195 178.499 176.300 0.006 0.000 1.068 16 M CA 1.202 56.505 55.300 0.006 0.000 1.100 16 M CB -0.334 32.261 32.600 -0.008 0.000 1.351 16 M HN 0.054 nan 8.290 nan 0.000 0.404 17 L N 0.484 121.706 121.223 -0.002 0.000 1.976 17 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 17 L C 2.378 179.252 176.870 0.006 0.000 1.071 17 L CA 1.939 56.779 54.840 0.000 0.000 0.746 17 L CB -0.612 41.445 42.059 -0.004 0.000 0.890 17 L HN 0.152 nan 8.230 nan 0.000 0.432 18 R N -0.477 120.028 120.500 0.007 0.000 2.094 18 R HA -0.147 4.193 4.340 -0.000 0.000 0.239 18 R C 2.219 178.528 176.300 0.015 0.000 1.137 18 R CA 1.362 57.468 56.100 0.011 0.000 0.943 18 R CB -1.355 28.954 30.300 0.015 0.000 0.850 18 R HN 0.598 nan 8.270 nan 0.000 0.433 19 G N 0.957 109.771 108.800 0.022 0.000 2.586 19 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.218 19 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.218 19 G C 1.464 176.373 174.900 0.015 0.000 1.216 19 G CA 1.243 46.358 45.100 0.025 0.000 0.786 19 G HN 0.303 nan 8.290 nan 0.000 0.583 20 V N 1.244 121.165 119.914 0.012 0.000 2.252 20 V HA -0.296 3.824 4.120 -0.000 0.000 0.249 20 V C 2.279 178.377 176.094 0.006 0.000 1.056 20 V CA 3.017 65.322 62.300 0.007 0.000 1.022 20 V CB -0.979 30.848 31.823 0.006 0.000 0.641 20 V HN 0.587 nan 8.190 nan 0.000 0.445 21 N N -0.386 118.318 118.700 0.006 0.000 2.049 21 N HA -0.237 4.503 4.740 -0.000 0.000 0.198 21 N C 1.809 177.322 175.510 0.005 0.000 1.030 21 N CA 2.214 55.268 53.050 0.006 0.000 0.870 21 N CB -0.402 38.088 38.487 0.006 0.000 1.045 21 N HN 0.469 nan 8.380 nan 0.000 0.434 22 V N 2.113 122.030 119.914 0.006 0.000 2.231 22 V HA -0.274 3.846 4.120 -0.000 0.000 0.250 22 V C 2.308 178.404 176.094 0.003 0.000 1.058 22 V CA 1.583 63.886 62.300 0.005 0.000 1.022 22 V CB -0.812 31.015 31.823 0.006 0.000 0.640 22 V HN 0.425 nan 8.190 nan 0.000 0.445 23 L N 0.215 121.440 121.223 0.003 0.000 1.978 23 L HA -0.279 4.061 4.340 -0.000 0.000 0.218 23 L C 2.521 179.391 176.870 -0.000 0.000 1.075 23 L CA 3.076 57.916 54.840 -0.000 0.000 0.767 23 L CB -1.206 40.852 42.059 -0.001 0.000 0.890 23 L HN 0.400 nan 8.230 nan 0.000 0.434 24 A N -0.560 122.260 122.820 0.001 0.000 1.873 24 A HA -0.228 4.092 4.320 -0.000 0.000 0.215 24 A C 1.884 179.469 177.584 0.002 0.000 1.186 24 A CA 1.713 53.751 52.037 0.002 0.000 0.616 24 A CB -0.715 18.287 19.000 0.003 0.000 0.823 24 A HN 0.562 nan 8.150 nan 0.000 0.442 25 D N 0.016 120.417 120.400 0.003 0.000 2.182 25 D HA -0.070 4.570 4.640 -0.000 0.000 0.201 25 D C 2.088 178.389 176.300 0.002 0.000 0.986 25 D CA 1.473 55.474 54.000 0.003 0.000 0.847 25 D CB -0.237 40.565 40.800 0.003 0.000 0.942 25 D HN 0.452 nan 8.370 nan 0.000 0.467 26 A N 0.194 123.014 122.820 0.001 0.000 1.975 26 A HA -0.018 4.302 4.320 -0.000 0.000 0.215 26 A C 2.241 179.825 177.584 -0.001 0.000 1.170 26 A CA 0.684 52.721 52.037 0.000 0.000 0.656 26 A CB -0.208 18.792 19.000 -0.000 0.000 0.821 26 A HN 0.186 nan 8.150 nan 0.000 0.449 27 V N 0.779 120.692 119.914 -0.001 0.000 3.174 27 V HA -0.084 4.036 4.120 -0.000 0.000 0.254 27 V C 2.291 178.384 176.094 -0.002 0.000 1.120 27 V CA 1.829 64.128 62.300 -0.002 0.000 1.114 27 V CB -0.398 31.422 31.823 -0.004 0.000 0.756 27 V HN 0.771 nan 8.190 nan 0.000 0.467 28 K N 0.929 121.329 120.400 -0.000 0.000 2.097 28 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 28 K C 1.785 178.386 176.600 0.001 0.000 1.050 28 K CA 1.901 58.188 56.287 0.001 0.000 0.938 28 K CB -1.120 31.381 32.500 0.003 0.000 0.718 28 K HN 0.482 nan 8.250 nan 0.000 0.442 29 V N 0.597 120.511 119.914 0.001 0.000 2.944 29 V HA -0.158 3.962 4.120 -0.000 0.000 0.265 29 V C 1.756 177.850 176.094 -0.001 0.000 1.125 29 V CA 1.865 64.165 62.300 0.001 0.000 1.145 29 V CB -1.485 30.339 31.823 0.001 0.000 0.725 29 V HN 0.596 nan 8.190 nan 0.000 0.510 30 T N -3.871 110.682 114.554 -0.002 0.000 3.176 30 T HA 0.316 4.665 4.350 -0.000 0.000 0.263 30 T C 1.111 175.808 174.700 -0.006 0.000 1.021 30 T CA 0.281 62.379 62.100 -0.004 0.000 0.905 30 T CB 0.636 69.502 68.868 -0.004 0.000 1.057 30 T HN 0.317 nan 8.240 nan 0.000 0.558 31 L N 2.684 123.904 121.223 -0.004 0.000 1.982 31 L HA 0.450 4.790 4.340 -0.000 0.000 0.206 31 L C 1.664 178.528 176.870 -0.010 0.000 1.078 31 L CA 1.514 56.351 54.840 -0.006 0.000 0.749 31 L CB -1.340 40.717 42.059 -0.002 0.000 0.894 31 L HN 0.428 nan 8.230 nan 0.000 0.436 32 G N -0.560 108.234 108.800 -0.010 0.000 2.855 32 G HA2 0.027 3.987 3.960 -0.000 0.000 0.248 32 G HA3 0.027 3.987 3.960 -0.000 0.000 0.248 32 G C -1.716 173.169 174.900 -0.025 0.000 1.243 32 G CA 0.140 45.229 45.100 -0.018 0.000 0.881 32 G HN 0.432 nan 8.290 nan 0.000 0.598 33 P HA 0.027 nan 4.420 nan 0.000 0.229 33 P C 0.543 177.824 177.300 -0.033 0.000 1.160 33 P CA 1.018 64.094 63.100 -0.040 0.000 0.777 33 P CB 0.405 32.070 31.700 -0.059 0.000 0.814 34 K N 0.725 121.107 120.400 -0.030 0.000 3.109 34 K HA 0.332 4.652 4.320 -0.000 0.000 0.214 34 K C 0.801 177.394 176.600 -0.012 0.000 1.196 34 K CA -0.427 55.848 56.287 -0.021 0.000 1.115 34 K CB 0.619 33.107 32.500 -0.020 0.000 1.103 34 K HN 0.020 nan 8.250 nan 0.000 0.467 35 G N 0.868 109.661 108.800 -0.012 0.000 2.539 35 G HA2 0.162 4.122 3.960 -0.000 0.000 0.258 35 G HA3 0.162 4.122 3.960 -0.000 0.000 0.258 35 G C 0.100 174.996 174.900 -0.005 0.000 1.202 35 G CA -0.546 44.550 45.100 -0.007 0.000 0.851 35 G HN 0.172 nan 8.290 nan 0.000 0.556 36 R N -0.431 120.068 120.500 -0.003 0.000 2.549 36 R HA 0.289 4.629 4.340 -0.000 0.000 0.259 36 R C 0.451 176.749 176.300 -0.002 0.000 1.095 36 R CA -0.605 55.493 56.100 -0.002 0.000 1.148 36 R CB 0.420 30.719 30.300 -0.000 0.000 1.181 36 R HN 0.857 nan 8.270 nan 0.000 0.571 37 N N -1.125 117.574 118.700 -0.002 0.000 2.362 37 N HA 0.534 5.274 4.740 -0.000 0.000 0.299 37 N C -0.931 174.578 175.510 -0.001 0.000 1.170 37 N CA -0.842 52.207 53.050 -0.002 0.000 0.825 37 N CB 1.759 40.245 38.487 -0.002 0.000 1.299 37 N HN 0.038 nan 8.380 nan 0.000 0.502 38 V N 0.707 120.620 119.914 -0.001 0.000 2.881 38 V HA 0.408 4.528 4.120 -0.000 0.000 0.316 38 V C -0.189 175.905 176.094 -0.000 0.000 1.070 38 V CA -0.816 61.483 62.300 -0.001 0.000 0.976 38 V CB 2.003 33.825 31.823 -0.001 0.000 1.038 38 V HN 0.483 nan 8.190 nan 0.000 0.446 39 V N 4.499 124.413 119.914 0.000 0.000 2.357 39 V HA 0.405 4.525 4.120 -0.000 0.000 0.284 39 V C -0.632 175.463 176.094 0.001 0.000 1.018 39 V CA -0.523 61.777 62.300 0.001 0.000 0.841 39 V CB 1.503 33.327 31.823 0.001 0.000 0.991 39 V HN 0.495 nan 8.190 nan 0.000 0.437 40 L N 3.831 125.055 121.223 0.003 0.000 2.283 40 L HA 0.421 4.761 4.340 -0.000 0.000 0.281 40 L C 0.118 176.991 176.870 0.006 0.000 1.033 40 L CA -0.183 54.659 54.840 0.003 0.000 0.848 40 L CB 0.714 42.776 42.059 0.004 0.000 1.226 40 L HN 0.660 nan 8.230 nan 0.000 0.429 41 D N 3.234 123.636 120.400 0.003 0.000 2.488 41 D HA 0.033 4.673 4.640 -0.000 0.000 0.238 41 D C -0.003 176.303 176.300 0.010 0.000 1.138 41 D CA 0.742 54.743 54.000 0.003 0.000 0.873 41 D CB 0.959 41.755 40.800 -0.006 0.000 1.183 41 D HN 0.311 nan 8.370 nan 0.000 0.458 42 K N 1.800 122.212 120.400 0.019 0.000 2.164 42 K HA 0.259 4.579 4.320 -0.000 0.000 0.258 42 K C 0.992 177.610 176.600 0.030 0.000 0.951 42 K CA -0.669 55.646 56.287 0.046 0.000 0.844 42 K CB 1.471 34.013 32.500 0.070 0.000 1.099 42 K HN 0.358 nan 8.250 nan 0.000 0.435 43 S N 1.919 117.643 115.700 0.039 0.000 2.351 43 S HA -0.090 4.379 4.470 -0.000 0.000 0.220 43 S C 0.334 174.801 174.600 -0.222 0.000 1.035 43 S CA 1.284 59.402 58.200 -0.137 0.000 1.031 43 S CB -0.173 62.905 63.200 -0.203 0.000 0.928 43 S HN 0.397 nan 8.310 nan 0.000 0.433 44 F N 1.671 121.618 119.950 -0.005 0.000 2.405 44 F HA 0.606 5.133 4.527 -0.000 0.000 0.355 44 F C 1.154 176.951 175.800 -0.004 0.000 1.121 44 F CA -0.053 57.945 58.000 -0.004 0.000 1.112 44 F CB 0.398 39.395 39.000 -0.004 0.000 1.126 44 F HN 0.445 nan 8.300 nan 0.000 0.481 45 G N 1.432 110.314 108.800 0.137 0.000 2.568 45 G HA2 0.130 4.090 3.960 -0.000 0.000 0.222 45 G HA3 0.130 4.090 3.960 -0.000 0.000 0.222 45 G C -0.431 174.499 174.900 0.049 0.000 1.321 45 G CA -0.670 44.481 45.100 0.085 0.000 0.893 45 G HN 1.088 nan 8.290 nan 0.000 0.569 46 A N 2.129 124.973 122.820 0.040 0.000 2.477 46 A HA 0.640 4.960 4.320 -0.000 0.000 0.246 46 A C -0.567 177.032 177.584 0.025 0.000 1.078 46 A CA 0.290 52.342 52.037 0.026 0.000 0.770 46 A CB -0.245 18.767 19.000 0.021 0.000 1.011 46 A HN 0.911 nan 8.150 nan 0.000 0.494 47 P HA 0.189 nan 4.420 nan 0.000 0.272 47 P C -0.387 176.921 177.300 0.013 0.000 1.254 47 P CA 0.059 63.167 63.100 0.013 0.000 0.795 47 P CB 0.456 32.160 31.700 0.007 0.000 1.022 48 T N 1.008 115.569 114.554 0.011 0.000 2.807 48 T HA 0.537 4.887 4.350 -0.000 0.000 0.279 48 T C 0.223 174.926 174.700 0.006 0.000 0.993 48 T CA -0.348 61.758 62.100 0.009 0.000 0.970 48 T CB 0.448 69.322 68.868 0.010 0.000 0.950 48 T HN 0.199 nan 8.240 nan 0.000 0.441 49 I N 2.319 122.892 120.570 0.004 0.000 2.460 49 I HA 0.687 4.857 4.170 -0.000 0.000 0.298 49 I C 0.460 176.578 176.117 0.001 0.000 0.989 49 I CA -0.459 60.842 61.300 0.002 0.000 1.173 49 I CB 2.008 40.009 38.000 0.002 0.000 1.338 49 I HN 0.550 nan 8.210 nan 0.000 0.456 50 T N 3.648 118.202 114.554 0.000 0.000 2.733 50 T HA 0.338 4.688 4.350 -0.000 0.000 0.312 50 T C -0.733 173.966 174.700 -0.002 0.000 1.590 50 T CA -0.654 61.445 62.100 -0.001 0.000 1.005 50 T CB 1.497 70.364 68.868 -0.001 0.000 1.528 50 T HN 0.696 nan 8.240 nan 0.000 0.496 51 K N 1.035 121.433 120.400 -0.003 0.000 2.536 51 K HA 0.227 4.547 4.320 -0.000 0.000 0.203 51 K C -0.886 175.711 176.600 -0.005 0.000 1.063 51 K CA -0.297 55.988 56.287 -0.004 0.000 1.063 51 K CB 0.579 33.075 32.500 -0.005 0.000 0.843 51 K HN 0.436 nan 8.250 nan 0.000 0.521 52 D N 0.380 120.777 120.400 -0.005 0.000 2.456 52 D HA 0.126 4.765 4.640 -0.000 0.000 0.219 52 D C 1.283 177.580 176.300 -0.006 0.000 1.126 52 D CA -0.192 53.804 54.000 -0.006 0.000 0.890 52 D CB 1.025 41.822 40.800 -0.005 0.000 1.025 52 D HN 0.202 nan 8.370 nan 0.000 0.511 53 G N 2.459 111.255 108.800 -0.007 0.000 2.574 53 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.220 53 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.220 53 G C 1.618 176.513 174.900 -0.009 0.000 1.173 53 G CA 1.062 46.158 45.100 -0.007 0.000 0.772 53 G HN 0.484 nan 8.290 nan 0.000 0.585 54 V N 0.801 120.708 119.914 -0.011 0.000 2.278 54 V HA -0.260 3.859 4.120 -0.000 0.000 0.251 54 V C 3.143 179.230 176.094 -0.011 0.000 1.062 54 V CA 2.498 64.790 62.300 -0.013 0.000 1.038 54 V CB -0.748 31.067 31.823 -0.014 0.000 0.646 54 V HN 0.417 nan 8.190 nan 0.000 0.447 55 S N -0.651 115.044 115.700 -0.008 0.000 2.338 55 S HA -0.164 4.306 4.470 -0.000 0.000 0.218 55 S C 1.979 176.575 174.600 -0.006 0.000 1.032 55 S CA 1.503 59.699 58.200 -0.007 0.000 0.999 55 S CB -0.291 62.907 63.200 -0.004 0.000 0.905 55 S HN 0.342 nan 8.310 nan 0.000 0.439 56 V N 2.463 122.374 119.914 -0.006 0.000 2.218 56 V HA -0.352 3.768 4.120 -0.000 0.000 0.251 56 V C 2.675 178.765 176.094 -0.007 0.000 1.057 56 V CA 2.122 64.419 62.300 -0.005 0.000 1.022 56 V CB -1.450 30.370 31.823 -0.005 0.000 0.645 56 V HN 0.574 nan 8.190 nan 0.000 0.451 57 A N -0.156 122.659 122.820 -0.008 0.000 1.894 57 A HA -0.410 3.909 4.320 -0.000 0.000 0.220 57 A C 2.338 179.915 177.584 -0.012 0.000 1.237 57 A CA 3.074 55.105 52.037 -0.011 0.000 0.660 57 A CB -0.876 18.116 19.000 -0.014 0.000 0.835 57 A HN 0.576 nan 8.150 nan 0.000 0.461 58 R N -0.633 119.860 120.500 -0.012 0.000 2.159 58 R HA -0.272 4.068 4.340 -0.000 0.000 0.252 58 R C 1.930 178.223 176.300 -0.011 0.000 1.144 58 R CA 2.302 58.394 56.100 -0.013 0.000 0.961 58 R CB -0.333 29.960 30.300 -0.012 0.000 0.877 58 R HN 0.514 nan 8.270 nan 0.000 0.444 59 E N -0.087 120.108 120.200 -0.008 0.000 2.418 59 E HA 0.019 4.369 4.350 -0.000 0.000 0.197 59 E C -0.141 176.455 176.600 -0.006 0.000 1.026 59 E CA 0.221 56.618 56.400 -0.006 0.000 0.862 59 E CB 0.125 29.823 29.700 -0.003 0.000 0.799 59 E HN 0.248 nan 8.360 nan 0.000 0.518 60 I N 1.981 122.546 120.570 -0.007 0.000 2.517 60 I HA 0.121 4.291 4.170 -0.000 0.000 0.285 60 I C 0.185 176.298 176.117 -0.007 0.000 1.106 60 I CA 0.433 61.730 61.300 -0.006 0.000 1.402 60 I CB 0.077 38.074 38.000 -0.005 0.000 1.399 60 I HN 0.061 nan 8.210 nan 0.000 0.535 61 E N 7.602 127.799 120.200 -0.006 0.000 2.349 61 E HA 0.364 4.714 4.350 -0.000 0.000 0.290 61 E C -1.649 174.948 176.600 -0.005 0.000 0.901 61 E CA -0.536 55.860 56.400 -0.007 0.000 0.800 61 E CB 1.431 31.126 29.700 -0.009 0.000 1.303 61 E HN 0.461 nan 8.360 nan 0.000 0.397 62 L N 3.219 124.442 121.223 -0.001 0.000 2.439 62 L HA 0.339 4.679 4.340 -0.000 0.000 0.259 62 L C 1.642 178.511 176.870 -0.003 0.000 1.129 62 L CA -0.290 54.551 54.840 0.002 0.000 0.803 62 L CB 0.866 42.932 42.059 0.012 0.000 1.161 62 L HN 0.732 nan 8.230 nan 0.000 0.462 63 E N 0.423 120.623 120.200 -0.001 0.000 2.076 63 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 63 E C 0.478 177.074 176.600 -0.007 0.000 0.979 63 E CA 0.262 56.658 56.400 -0.007 0.000 0.807 63 E CB 0.307 30.005 29.700 -0.004 0.000 0.761 63 E HN 0.650 nan 8.360 nan 0.000 0.454 64 D N 1.727 122.134 120.400 0.012 0.000 2.342 64 D HA -0.008 4.632 4.640 -0.000 0.000 0.260 64 D C -0.567 175.748 176.300 0.024 0.000 1.278 64 D CA 0.097 54.115 54.000 0.030 0.000 0.910 64 D CB 0.479 41.319 40.800 0.067 0.000 1.079 64 D HN 0.065 nan 8.370 nan 0.000 0.496 65 K N 2.673 123.039 120.400 -0.056 0.000 2.285 65 K HA 0.010 4.329 4.320 -0.000 0.000 0.255 65 K C 0.597 177.197 176.600 -0.000 0.000 1.000 65 K CA -0.285 55.922 56.287 -0.134 0.000 0.887 65 K CB 0.625 32.929 32.500 -0.328 0.000 0.997 65 K HN 0.380 nan 8.250 nan 0.000 0.510 66 F N -1.197 118.743 119.950 -0.016 0.000 2.523 66 F HA -0.366 4.161 4.527 -0.000 0.000 0.749 66 F C 1.820 177.611 175.800 -0.014 0.000 0.485 66 F CA 1.858 59.847 58.000 -0.018 0.000 0.779 66 F CB -1.365 37.627 39.000 -0.014 0.000 1.624 66 F HN 0.729 nan 8.300 nan 0.000 0.277 67 E N 0.179 120.513 120.200 0.224 0.000 2.058 67 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 67 E C 1.601 178.244 176.600 0.073 0.000 0.997 67 E CA 1.567 58.032 56.400 0.108 0.000 0.801 67 E CB -0.400 29.348 29.700 0.080 0.000 0.746 67 E HN 0.528 nan 8.360 nan 0.000 0.450 68 N N 0.608 119.343 118.700 0.059 0.000 2.094 68 N HA -0.200 4.539 4.740 -0.000 0.000 0.191 68 N C 1.799 177.326 175.510 0.027 0.000 1.023 68 N CA 1.635 54.702 53.050 0.027 0.000 0.857 68 N CB -0.031 38.458 38.487 0.004 0.000 1.013 68 N HN 0.088 nan 8.380 nan 0.000 0.426 69 M N -0.524 119.104 119.600 0.046 0.000 2.082 69 M HA -0.112 4.368 4.480 -0.000 0.000 0.258 69 M C 2.354 178.674 176.300 0.033 0.000 1.071 69 M CA 1.920 57.245 55.300 0.042 0.000 1.103 69 M CB -1.200 31.449 32.600 0.081 0.000 1.307 69 M HN 0.344 nan 8.290 nan 0.000 0.409 70 G N 0.056 108.883 108.800 0.045 0.000 2.547 70 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.221 70 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.221 70 G C 1.601 176.509 174.900 0.014 0.000 1.140 70 G CA 1.550 46.666 45.100 0.027 0.000 0.760 70 G HN 0.588 nan 8.290 nan 0.000 0.583 71 A N -0.187 122.642 122.820 0.014 0.000 1.840 71 A HA -0.024 4.296 4.320 -0.000 0.000 0.214 71 A C 2.406 179.988 177.584 -0.004 0.000 1.198 71 A CA 1.943 53.983 52.037 0.005 0.000 0.608 71 A CB -0.508 18.495 19.000 0.005 0.000 0.839 71 A HN 0.284 nan 8.150 nan 0.000 0.443 72 Q N -0.370 119.428 119.800 -0.004 0.000 2.152 72 Q HA -0.219 4.120 4.340 -0.000 0.000 0.206 72 Q C 2.130 178.118 176.000 -0.019 0.000 0.985 72 Q CA 1.878 57.673 55.803 -0.012 0.000 0.863 72 Q CB -0.645 28.086 28.738 -0.011 0.000 0.904 72 Q HN 0.787 nan 8.270 nan 0.000 0.422 73 M N -0.525 119.068 119.600 -0.012 0.000 2.108 73 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 73 M C 2.262 178.544 176.300 -0.030 0.000 1.066 73 M CA 1.163 56.452 55.300 -0.018 0.000 1.107 73 M CB -0.347 32.249 32.600 -0.006 0.000 1.356 73 M HN -0.015 nan 8.290 nan 0.000 0.406 74 V N 0.491 120.391 119.914 -0.023 0.000 2.229 74 V HA -0.259 3.861 4.120 -0.000 0.000 0.243 74 V C 2.173 178.239 176.094 -0.047 0.000 1.042 74 V CA 1.830 64.113 62.300 -0.028 0.000 1.000 74 V CB -0.737 31.077 31.823 -0.014 0.000 0.637 74 V HN 0.409 nan 8.190 nan 0.000 0.446 75 K N -0.114 120.264 120.400 -0.037 0.000 2.117 75 K HA -0.354 3.966 4.320 -0.000 0.000 0.215 75 K C 2.182 178.741 176.600 -0.068 0.000 1.053 75 K CA 2.460 58.721 56.287 -0.044 0.000 0.935 75 K CB -0.370 32.111 32.500 -0.032 0.000 0.719 75 K HN 0.586 nan 8.250 nan 0.000 0.460 76 E N 0.621 120.779 120.200 -0.070 0.000 2.033 76 E HA -0.223 4.127 4.350 -0.000 0.000 0.199 76 E C 2.044 178.548 176.600 -0.161 0.000 1.011 76 E CA 1.690 58.034 56.400 -0.093 0.000 0.815 76 E CB -0.061 29.593 29.700 -0.076 0.000 0.755 76 E HN 0.189 nan 8.360 nan 0.000 0.451 77 V N 0.522 120.321 119.914 -0.192 0.000 2.453 77 V HA -0.127 3.993 4.120 -0.000 0.000 0.247 77 V C 2.198 178.056 176.094 -0.394 0.000 1.048 77 V CA 1.923 64.001 62.300 -0.369 0.000 1.049 77 V CB -0.295 31.356 31.823 -0.287 0.000 0.672 77 V HN 0.449 nan 8.190 nan 0.000 0.457 78 A N -0.855 121.852 122.820 -0.187 0.000 2.019 78 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 78 A C 2.526 180.043 177.584 -0.111 0.000 1.164 78 A CA 2.211 54.184 52.037 -0.108 0.000 0.644 78 A CB -0.807 18.162 19.000 -0.052 0.000 0.805 78 A HN 0.611 nan 8.150 nan 0.000 0.449 79 S N -0.428 115.194 115.700 -0.130 0.000 2.357 79 S HA -0.137 4.333 4.470 -0.000 0.000 0.221 79 S C 2.008 176.536 174.600 -0.120 0.000 1.031 79 S CA 1.455 59.597 58.200 -0.098 0.000 0.982 79 S CB -0.309 62.843 63.200 -0.080 0.000 0.853 79 S HN 0.595 nan 8.310 nan 0.000 0.458 80 K N 1.165 121.430 120.400 -0.224 0.000 2.113 80 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 80 K C 2.337 178.884 176.600 -0.089 0.000 1.047 80 K CA 1.217 57.360 56.287 -0.239 0.000 0.928 80 K CB -0.502 31.686 32.500 -0.519 0.000 0.716 80 K HN 0.462 nan 8.250 nan 0.000 0.446 81 A N 2.541 125.282 122.820 -0.131 0.000 1.842 81 A HA -0.293 4.027 4.320 -0.000 0.000 0.217 81 A C 2.088 179.749 177.584 0.128 0.000 1.206 81 A CA 2.014 54.217 52.037 0.276 0.000 0.630 81 A CB -0.994 18.151 19.000 0.241 0.000 0.839 81 A HN 0.382 nan 8.150 nan 0.000 0.447 82 N N 0.279 118.997 118.700 0.029 0.000 2.060 82 N HA -0.243 4.496 4.740 -0.000 0.000 0.195 82 N C 1.211 176.709 175.510 -0.020 0.000 1.028 82 N CA 2.209 55.248 53.050 -0.018 0.000 0.861 82 N CB -0.588 37.872 38.487 -0.044 0.000 1.029 82 N HN 0.415 nan 8.380 nan 0.000 0.428 83 D N 0.211 120.610 120.400 -0.003 0.000 2.170 83 D HA -0.134 4.506 4.640 -0.000 0.000 0.193 83 D C 0.641 176.967 176.300 0.042 0.000 1.004 83 D CA 1.510 55.518 54.000 0.013 0.000 0.860 83 D CB -0.311 40.496 40.800 0.011 0.000 0.931 83 D HN 0.464 nan 8.370 nan 0.000 0.448 84 A N -1.408 121.461 122.820 0.083 0.000 2.965 84 A HA 0.695 5.015 4.320 -0.000 0.000 0.304 84 A C 0.814 178.434 177.584 0.060 0.000 1.214 84 A CA 0.491 52.580 52.037 0.087 0.000 0.977 84 A CB 0.395 19.472 19.000 0.128 0.000 1.127 84 A HN 0.124 nan 8.150 nan 0.000 0.572 85 A N -2.201 120.634 122.820 0.024 0.000 2.431 85 A HA 0.440 4.760 4.320 -0.000 0.000 0.149 85 A C 1.515 179.064 177.584 -0.058 0.000 1.903 85 A CA 0.906 52.947 52.037 0.007 0.000 1.329 85 A CB -0.734 18.277 19.000 0.018 0.000 1.467 85 A HN 2.058 nan 8.150 nan 0.000 0.352 86 G N -0.881 107.823 108.800 -0.161 0.000 2.175 86 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.244 86 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.244 86 G C -0.166 174.592 174.900 -0.237 0.000 0.982 86 G CA 0.958 45.816 45.100 -0.404 0.000 0.641 86 G HN 1.190 nan 8.290 nan 0.000 0.527 87 D N -3.036 117.298 120.400 -0.111 0.000 2.827 87 D HA 0.488 5.128 4.640 -0.000 0.000 0.336 87 D C 1.061 177.347 176.300 -0.023 0.000 1.374 87 D CA 1.163 55.126 54.000 -0.062 0.000 0.794 87 D CB 0.470 41.242 40.800 -0.047 0.000 1.364 87 D HN 1.344 nan 8.370 nan 0.000 0.464 88 G N -0.472 108.321 108.800 -0.011 0.000 2.279 88 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.223 88 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.223 88 G C 1.182 176.087 174.900 0.009 0.000 1.015 88 G CA 1.248 46.352 45.100 0.007 0.000 0.621 88 G HN 0.615 nan 8.290 nan 0.000 0.506 89 T N 1.191 115.744 114.554 -0.003 0.000 2.656 89 T HA -0.313 4.037 4.350 -0.000 0.000 0.262 89 T C 2.330 177.026 174.700 -0.007 0.000 1.070 89 T CA 3.050 65.144 62.100 -0.011 0.000 1.160 89 T CB -0.992 67.862 68.868 -0.022 0.000 0.855 89 T HN 0.636 nan 8.240 nan 0.000 0.456 90 T N 1.558 116.109 114.554 -0.006 0.000 2.639 90 T HA -0.101 4.249 4.350 -0.000 0.000 0.261 90 T C 2.331 177.033 174.700 0.003 0.000 1.053 90 T CA 1.740 63.837 62.100 -0.004 0.000 1.158 90 T CB -1.012 67.853 68.868 -0.005 0.000 0.863 90 T HN 0.445 nan 8.240 nan 0.000 0.413 91 T N 2.446 117.003 114.554 0.005 0.000 2.594 91 T HA -0.266 4.083 4.350 -0.000 0.000 0.266 91 T C 2.290 177.001 174.700 0.018 0.000 1.070 91 T CA 1.782 63.888 62.100 0.011 0.000 1.166 91 T CB -0.918 67.957 68.868 0.012 0.000 0.862 91 T HN 0.465 nan 8.240 nan 0.000 0.436 92 A N 1.178 124.014 122.820 0.027 0.000 1.884 92 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 92 A C 2.579 180.179 177.584 0.026 0.000 1.197 92 A CA 2.762 54.824 52.037 0.041 0.000 0.637 92 A CB -1.583 17.452 19.000 0.058 0.000 0.827 92 A HN 0.543 nan 8.150 nan 0.000 0.450 93 T N -0.169 114.392 114.554 0.012 0.000 2.635 93 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 93 T C 1.894 176.599 174.700 0.009 0.000 1.040 93 T CA 1.934 64.037 62.100 0.006 0.000 1.156 93 T CB -0.755 68.112 68.868 -0.002 0.000 0.863 93 T HN 0.219 nan 8.240 nan 0.000 0.430 94 V N 1.630 121.550 119.914 0.009 0.000 2.252 94 V HA -0.218 3.902 4.120 -0.000 0.000 0.249 94 V C 2.528 178.630 176.094 0.012 0.000 1.056 94 V CA 1.830 64.135 62.300 0.009 0.000 1.022 94 V CB -0.913 30.915 31.823 0.009 0.000 0.641 94 V HN 0.417 nan 8.190 nan 0.000 0.445 95 L N -0.027 121.205 121.223 0.017 0.000 1.989 95 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 95 L C 2.830 179.712 176.870 0.019 0.000 1.071 95 L CA 1.676 56.527 54.840 0.019 0.000 0.749 95 L CB -1.053 41.020 42.059 0.024 0.000 0.890 95 L HN 0.369 nan 8.230 nan 0.000 0.431 96 A N -0.294 122.539 122.820 0.022 0.000 1.906 96 A HA -0.418 3.901 4.320 -0.000 0.000 0.222 96 A C 2.249 179.842 177.584 0.014 0.000 1.282 96 A CA 2.730 54.779 52.037 0.020 0.000 0.675 96 A CB -1.024 17.986 19.000 0.016 0.000 0.838 96 A HN 0.576 nan 8.150 nan 0.000 0.469 97 Q N -1.049 118.758 119.800 0.011 0.000 1.975 97 Q HA -0.154 4.186 4.340 -0.000 0.000 0.205 97 Q C 2.307 178.313 176.000 0.009 0.000 0.990 97 Q CA 2.147 57.955 55.803 0.009 0.000 0.845 97 Q CB -0.488 28.255 28.738 0.007 0.000 0.913 97 Q HN 0.665 nan 8.270 nan 0.000 0.420 98 A N 0.954 123.780 122.820 0.010 0.000 1.900 98 A HA -0.320 4.000 4.320 -0.000 0.000 0.225 98 A C 2.004 179.593 177.584 0.010 0.000 1.414 98 A CA 2.446 54.489 52.037 0.010 0.000 0.702 98 A CB -1.366 17.641 19.000 0.012 0.000 0.845 98 A HN 0.566 nan 8.150 nan 0.000 0.478 99 I N -0.566 120.011 120.570 0.012 0.000 2.072 99 I HA -0.270 3.900 4.170 -0.000 0.000 0.235 99 I C 2.392 178.515 176.117 0.009 0.000 1.058 99 I CA 1.769 63.076 61.300 0.011 0.000 1.320 99 I CB -0.552 37.457 38.000 0.014 0.000 1.047 99 I HN 0.382 nan 8.210 nan 0.000 0.397 100 I N 0.641 121.217 120.570 0.010 0.000 2.182 100 I HA -0.400 3.770 4.170 -0.000 0.000 0.248 100 I C 2.557 178.677 176.117 0.005 0.000 1.073 100 I CA 1.957 63.261 61.300 0.007 0.000 1.335 100 I CB -1.036 36.968 38.000 0.007 0.000 1.031 100 I HN 0.394 nan 8.210 nan 0.000 0.420 101 T N 0.213 114.770 114.554 0.005 0.000 2.595 101 T HA -0.177 4.173 4.350 -0.000 0.000 0.264 101 T C 1.819 176.521 174.700 0.004 0.000 1.058 101 T CA 1.469 63.571 62.100 0.004 0.000 1.166 101 T CB -0.235 68.636 68.868 0.005 0.000 0.863 101 T HN 0.326 nan 8.240 nan 0.000 0.415 102 E N 0.888 121.091 120.200 0.005 0.000 2.017 102 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 102 E C 2.665 179.267 176.600 0.004 0.000 0.997 102 E CA 1.380 57.783 56.400 0.004 0.000 0.804 102 E CB -1.153 28.550 29.700 0.005 0.000 0.757 102 E HN 0.553 nan 8.360 nan 0.000 0.448 103 G N 1.076 109.879 108.800 0.005 0.000 2.485 103 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.221 103 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.221 103 G C 1.511 176.413 174.900 0.003 0.000 1.115 103 G CA 0.609 45.711 45.100 0.004 0.000 0.751 103 G HN 0.145 nan 8.290 nan 0.000 0.567 104 L N -0.139 121.085 121.223 0.002 0.000 2.341 104 L HA 0.254 4.594 4.340 -0.000 0.000 0.214 104 L C 2.609 179.479 176.870 -0.001 0.000 1.115 104 L CA 1.153 55.993 54.840 0.000 0.000 0.820 104 L CB -0.203 41.855 42.059 -0.001 0.000 0.944 104 L HN 0.158 nan 8.230 nan 0.000 0.452 105 K N -0.984 119.416 120.400 0.000 0.000 2.031 105 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 105 K C 2.124 178.724 176.600 0.000 0.000 1.049 105 K CA 1.121 57.408 56.287 0.000 0.000 0.939 105 K CB -0.312 32.189 32.500 0.001 0.000 0.717 105 K HN 0.289 nan 8.250 nan 0.000 0.438 106 A N 1.811 124.632 122.820 0.001 0.000 1.859 106 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 106 A C 2.480 180.065 177.584 0.002 0.000 1.209 106 A CA 2.605 54.643 52.037 0.002 0.000 0.639 106 A CB -1.397 17.605 19.000 0.003 0.000 0.835 106 A HN 0.211 nan 8.150 nan 0.000 0.450 107 V N -2.098 117.817 119.914 0.002 0.000 2.278 107 V HA -0.226 3.894 4.120 -0.000 0.000 0.251 107 V C 2.524 178.618 176.094 0.001 0.000 1.062 107 V CA 2.431 64.732 62.300 0.002 0.000 1.038 107 V CB -1.711 30.113 31.823 0.002 0.000 0.646 107 V HN 0.709 nan 8.190 nan 0.000 0.447 108 A N 0.060 122.880 122.820 -0.000 0.000 2.168 108 A HA 0.440 4.760 4.320 -0.000 0.000 0.215 108 A C 2.279 179.862 177.584 -0.001 0.000 1.152 108 A CA 1.443 53.480 52.037 -0.001 0.000 0.716 108 A CB -0.670 18.328 19.000 -0.003 0.000 0.794 108 A HN 1.027 nan 8.150 nan 0.000 0.465 109 A N -2.101 120.719 122.820 -0.000 0.000 2.132 109 A HA 0.436 4.756 4.320 -0.000 0.000 0.213 109 A C 1.735 179.319 177.584 -0.000 0.000 1.154 109 A CA 1.434 53.471 52.037 -0.000 0.000 0.753 109 A CB -0.303 18.697 19.000 0.000 0.000 0.826 109 A HN 1.570 nan 8.150 nan 0.000 0.469 110 G N -1.975 106.825 108.800 0.000 0.000 2.480 110 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.193 110 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.193 110 G C 0.306 175.206 174.900 0.001 0.000 1.004 110 G CA -0.040 45.060 45.100 0.000 0.000 0.696 110 G HN 0.268 nan 8.290 nan 0.000 0.478 111 M N 1.454 121.055 119.600 0.002 0.000 2.245 111 M HA 0.195 4.675 4.480 -0.000 0.000 0.312 111 M C 0.760 177.062 176.300 0.003 0.000 1.070 111 M CA -0.063 55.238 55.300 0.002 0.000 1.162 111 M CB 0.207 32.808 32.600 0.002 0.000 1.448 111 M HN 0.287 nan 8.290 nan 0.000 0.446 112 N N 2.259 120.961 118.700 0.003 0.000 2.442 112 N HA 0.109 4.849 4.740 -0.000 0.000 0.265 112 N C -2.248 173.264 175.510 0.005 0.000 1.138 112 N CA -1.430 51.623 53.050 0.004 0.000 0.956 112 N CB 1.169 39.658 38.487 0.004 0.000 1.067 112 N HN 0.246 nan 8.380 nan 0.000 0.474 113 P HA -0.083 nan 4.420 nan 0.000 0.214 113 P C 1.539 178.843 177.300 0.006 0.000 1.162 113 P CA 1.069 64.172 63.100 0.006 0.000 0.879 113 P CB 0.163 31.867 31.700 0.007 0.000 0.786 114 M N -0.319 119.285 119.600 0.007 0.000 2.108 114 M HA -0.200 4.279 4.480 -0.000 0.000 0.257 114 M C 1.386 177.690 176.300 0.006 0.000 1.071 114 M CA 1.826 57.130 55.300 0.006 0.000 1.093 114 M CB -1.230 31.374 32.600 0.007 0.000 1.345 114 M HN -0.123 nan 8.290 nan 0.000 0.403 115 D N -0.795 119.608 120.400 0.005 0.000 2.120 115 D HA -0.069 4.570 4.640 -0.000 0.000 0.202 115 D C 2.132 178.435 176.300 0.005 0.000 0.972 115 D CA 1.139 55.142 54.000 0.005 0.000 0.837 115 D CB -0.323 40.480 40.800 0.004 0.000 0.989 115 D HN 0.343 nan 8.370 nan 0.000 0.469 116 L N 1.123 122.349 121.223 0.005 0.000 1.997 116 L HA -0.261 4.079 4.340 -0.000 0.000 0.216 116 L C 2.627 179.501 176.870 0.006 0.000 1.074 116 L CA 1.535 56.378 54.840 0.005 0.000 0.763 116 L CB -0.569 41.493 42.059 0.005 0.000 0.890 116 L HN 0.042 nan 8.230 nan 0.000 0.434 117 K N 0.424 120.828 120.400 0.007 0.000 2.009 117 K HA -0.272 4.048 4.320 -0.000 0.000 0.210 117 K C 2.319 178.924 176.600 0.007 0.000 1.049 117 K CA 1.818 58.110 56.287 0.008 0.000 0.929 117 K CB -0.159 32.346 32.500 0.008 0.000 0.714 117 K HN 0.095 nan 8.250 nan 0.000 0.440 118 R N -0.125 120.378 120.500 0.006 0.000 2.115 118 R HA -0.173 4.167 4.340 -0.000 0.000 0.239 118 R C 2.390 178.693 176.300 0.005 0.000 1.133 118 R CA 2.183 58.286 56.100 0.005 0.000 0.935 118 R CB -1.018 29.285 30.300 0.004 0.000 0.853 118 R HN 0.478 nan 8.270 nan 0.000 0.433 119 G N 0.934 109.737 108.800 0.005 0.000 2.505 119 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.220 119 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.220 119 G C 1.482 176.384 174.900 0.005 0.000 1.145 119 G CA 1.419 46.521 45.100 0.004 0.000 0.761 119 G HN 0.351 nan 8.290 nan 0.000 0.571 120 I N 0.858 121.432 120.570 0.006 0.000 2.090 120 I HA -0.146 4.024 4.170 -0.000 0.000 0.236 120 I C 2.434 178.554 176.117 0.005 0.000 1.064 120 I CA 1.449 62.753 61.300 0.007 0.000 1.324 120 I CB -0.401 37.604 38.000 0.009 0.000 1.044 120 I HN 0.094 nan 8.210 nan 0.000 0.399 121 D N 1.026 121.430 120.400 0.005 0.000 2.191 121 D HA -0.287 4.353 4.640 -0.000 0.000 0.195 121 D C 1.965 178.265 176.300 0.001 0.000 1.003 121 D CA 1.584 55.586 54.000 0.003 0.000 0.867 121 D CB -0.329 40.473 40.800 0.003 0.000 0.926 121 D HN 0.388 nan 8.370 nan 0.000 0.450 122 K N 0.859 121.260 120.400 0.002 0.000 1.985 122 K HA -0.140 4.180 4.320 -0.000 0.000 0.210 122 K C 2.229 178.830 176.600 0.001 0.000 1.047 122 K CA 1.418 57.705 56.287 0.001 0.000 0.932 122 K CB -0.167 32.334 32.500 0.002 0.000 0.716 122 K HN 0.018 nan 8.250 nan 0.000 0.439 123 A N 0.889 123.711 122.820 0.003 0.000 1.896 123 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 123 A C 2.298 179.883 177.584 0.002 0.000 1.206 123 A CA 2.354 54.393 52.037 0.003 0.000 0.647 123 A CB -1.107 17.896 19.000 0.005 0.000 0.828 123 A HN 0.229 nan 8.150 nan 0.000 0.455 124 V N -0.401 119.513 119.914 0.001 0.000 2.220 124 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 124 V C 2.695 178.785 176.094 -0.006 0.000 1.049 124 V CA 2.656 64.954 62.300 -0.002 0.000 1.003 124 V CB -1.642 30.178 31.823 -0.004 0.000 0.634 124 V HN 0.655 nan 8.190 nan 0.000 0.444 125 T N 0.617 115.167 114.554 -0.007 0.000 2.594 125 T HA -0.354 3.996 4.350 -0.000 0.000 0.266 125 T C 2.005 176.701 174.700 -0.006 0.000 1.070 125 T CA 2.376 64.471 62.100 -0.009 0.000 1.166 125 T CB -0.712 68.153 68.868 -0.006 0.000 0.862 125 T HN 0.628 nan 8.240 nan 0.000 0.436 126 A N 1.562 124.381 122.820 -0.003 0.000 1.851 126 A HA 0.079 4.399 4.320 -0.000 0.000 0.216 126 A C 2.720 180.304 177.584 -0.000 0.000 1.195 126 A CA 2.314 54.350 52.037 -0.001 0.000 0.622 126 A CB -1.365 17.636 19.000 0.001 0.000 0.831 126 A HN 0.582 nan 8.150 nan 0.000 0.444 127 A N -0.669 122.151 122.820 0.001 0.000 1.978 127 A HA -0.019 4.301 4.320 -0.000 0.000 0.220 127 A C 2.192 179.775 177.584 -0.001 0.000 1.170 127 A CA 1.866 53.904 52.037 0.002 0.000 0.636 127 A CB -0.971 18.031 19.000 0.003 0.000 0.810 127 A HN 0.477 nan 8.150 nan 0.000 0.448 128 V N -0.290 119.621 119.914 -0.006 0.000 2.407 128 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 128 V C 2.522 178.612 176.094 -0.007 0.000 1.055 128 V CA 2.349 64.642 62.300 -0.011 0.000 1.049 128 V CB -0.784 31.027 31.823 -0.019 0.000 0.662 128 V HN 0.539 nan 8.190 nan 0.000 0.455 129 E N 0.219 120.416 120.200 -0.005 0.000 2.017 129 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 129 E C 2.321 178.922 176.600 0.001 0.000 0.997 129 E CA 1.137 57.536 56.400 -0.002 0.000 0.804 129 E CB -0.377 29.322 29.700 -0.001 0.000 0.757 129 E HN 0.502 nan 8.360 nan 0.000 0.448 130 E N 0.106 120.308 120.200 0.003 0.000 2.164 130 E HA -0.254 4.095 4.350 -0.000 0.000 0.206 130 E C 2.131 178.736 176.600 0.008 0.000 1.032 130 E CA 0.967 57.371 56.400 0.007 0.000 0.832 130 E CB -0.445 29.260 29.700 0.009 0.000 0.742 130 E HN 0.167 nan 8.360 nan 0.000 0.460 131 L N 1.343 122.569 121.223 0.005 0.000 2.042 131 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 131 L C 2.212 179.085 176.870 0.005 0.000 1.076 131 L CA 1.777 56.620 54.840 0.005 0.000 0.749 131 L CB -0.298 41.761 42.059 0.001 0.000 0.893 131 L HN 0.045 nan 8.230 nan 0.000 0.432 132 K N -1.087 119.315 120.400 0.003 0.000 2.063 132 K HA -0.160 4.159 4.320 -0.000 0.000 0.208 132 K C 2.085 178.689 176.600 0.006 0.000 1.048 132 K CA 1.344 57.632 56.287 0.003 0.000 0.928 132 K CB -0.422 32.078 32.500 0.001 0.000 0.713 132 K HN 0.393 nan 8.250 nan 0.000 0.442 133 A N 1.783 124.608 122.820 0.007 0.000 1.845 133 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 133 A C 2.166 179.757 177.584 0.012 0.000 1.195 133 A CA 1.312 53.355 52.037 0.009 0.000 0.616 133 A CB -0.692 18.314 19.000 0.010 0.000 0.832 133 A HN 0.251 nan 8.150 nan 0.000 0.443 134 L N 0.434 121.665 121.223 0.014 0.000 2.127 134 L HA -0.011 4.329 4.340 -0.000 0.000 0.211 134 L C 1.500 178.380 176.870 0.017 0.000 1.089 134 L CA 1.586 56.438 54.840 0.019 0.000 0.757 134 L CB -0.801 41.270 42.059 0.021 0.000 0.899 134 L HN 0.304 nan 8.230 nan 0.000 0.434 135 S N -0.697 115.011 115.700 0.013 0.000 2.546 135 S HA 0.169 4.639 4.470 -0.000 0.000 0.290 135 S C -0.191 174.416 174.600 0.013 0.000 1.290 135 S CA -0.502 57.706 58.200 0.012 0.000 1.069 135 S CB 0.085 63.290 63.200 0.009 0.000 0.846 135 S HN 0.106 nan 8.310 nan 0.000 0.495 136 V N 8.742 128.664 119.914 0.013 0.000 2.370 136 V HA 0.367 4.487 4.120 -0.000 0.000 0.283 136 V C -1.958 174.143 176.094 0.012 0.000 1.023 136 V CA -1.860 60.448 62.300 0.013 0.000 0.857 136 V CB 1.138 32.970 31.823 0.015 0.000 0.985 136 V HN 0.782 nan 8.190 nan 0.000 0.443 137 P HA -0.007 nan 4.420 nan 0.000 0.270 137 P C -0.523 176.783 177.300 0.010 0.000 1.216 137 P CA 0.023 63.129 63.100 0.010 0.000 0.788 137 P CB 0.338 32.043 31.700 0.009 0.000 0.883 138 C N 1.792 121.097 119.300 0.010 0.000 3.078 138 C HA 0.539 4.999 4.460 -0.000 0.000 0.320 138 C C 0.915 175.911 174.990 0.009 0.000 1.039 138 C CA 0.340 59.364 59.018 0.010 0.000 1.386 138 C CB -0.869 26.877 27.740 0.011 0.000 1.836 138 C HN 0.634 nan 8.230 nan 0.000 0.514 139 S N 2.755 118.460 115.700 0.008 0.000 3.526 139 S HA 0.216 4.686 4.470 -0.000 0.000 0.222 139 S C 0.187 174.790 174.600 0.006 0.000 1.001 139 S CA 0.704 58.908 58.200 0.007 0.000 0.831 139 S CB -0.269 62.935 63.200 0.007 0.000 0.941 139 S HN 0.935 nan 8.310 nan 0.000 0.585 140 D N 2.011 122.414 120.400 0.005 0.000 2.474 140 D HA 0.047 4.687 4.640 -0.000 0.000 0.232 140 D C 0.656 176.959 176.300 0.004 0.000 1.177 140 D CA 0.490 54.493 54.000 0.004 0.000 0.876 140 D CB 0.174 40.976 40.800 0.004 0.000 1.208 140 D HN 0.158 nan 8.370 nan 0.000 0.464 141 S N 0.335 116.037 115.700 0.003 0.000 2.528 141 S HA -0.174 4.296 4.470 -0.000 0.000 0.244 141 S C 1.470 176.072 174.600 0.003 0.000 0.982 141 S CA 0.998 59.199 58.200 0.002 0.000 0.953 141 S CB -0.257 62.944 63.200 0.001 0.000 0.754 141 S HN 0.621 nan 8.310 nan 0.000 0.529 142 K N 1.803 122.205 120.400 0.003 0.000 1.995 142 K HA 0.032 4.352 4.320 -0.000 0.000 0.207 142 K C 2.349 178.952 176.600 0.005 0.000 1.041 142 K CA 1.074 57.363 56.287 0.004 0.000 0.942 142 K CB -0.476 32.026 32.500 0.004 0.000 0.731 142 K HN 0.235 nan 8.250 nan 0.000 0.439 143 A N 1.898 124.721 122.820 0.006 0.000 1.948 143 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 143 A C 2.081 179.669 177.584 0.007 0.000 1.177 143 A CA 1.553 53.594 52.037 0.007 0.000 0.636 143 A CB -0.628 18.377 19.000 0.008 0.000 0.815 143 A HN 0.376 nan 8.150 nan 0.000 0.449 144 I N -0.167 120.407 120.570 0.006 0.000 2.113 144 I HA -0.244 3.926 4.170 -0.000 0.000 0.238 144 I C 2.959 179.078 176.117 0.004 0.000 1.070 144 I CA 1.622 62.925 61.300 0.005 0.000 1.332 144 I CB -1.729 36.273 38.000 0.004 0.000 1.044 144 I HN 0.364 nan 8.210 nan 0.000 0.402 145 A N -0.073 122.749 122.820 0.003 0.000 1.969 145 A HA -0.248 4.071 4.320 -0.000 0.000 0.218 145 A C 2.202 179.788 177.584 0.003 0.000 1.169 145 A CA 1.662 53.700 52.037 0.002 0.000 0.635 145 A CB -0.567 18.433 19.000 0.001 0.000 0.810 145 A HN 0.477 nan 8.150 nan 0.000 0.445 146 Q N 0.074 119.877 119.800 0.004 0.000 1.858 146 Q HA -0.184 4.155 4.340 -0.000 0.000 0.240 146 Q C 2.008 178.011 176.000 0.005 0.000 1.014 146 Q CA 2.849 58.655 55.803 0.005 0.000 0.884 146 Q CB -1.090 27.651 28.738 0.006 0.000 0.957 146 Q HN 0.523 nan 8.270 nan 0.000 0.419 147 V N 0.483 120.401 119.914 0.007 0.000 2.363 147 V HA -0.258 3.862 4.120 -0.000 0.000 0.254 147 V C 1.810 177.910 176.094 0.009 0.000 1.074 147 V CA 2.921 65.227 62.300 0.009 0.000 1.069 147 V CB -1.300 30.530 31.823 0.011 0.000 0.659 147 V HN 0.597 nan 8.190 nan 0.000 0.455 148 G N -0.188 108.616 108.800 0.008 0.000 2.524 148 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.215 148 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.215 148 G C 1.749 176.652 174.900 0.006 0.000 1.239 148 G CA 2.171 47.276 45.100 0.008 0.000 0.798 148 G HN 0.730 nan 8.290 nan 0.000 0.557 149 T N 0.302 114.858 114.554 0.003 0.000 2.760 149 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 149 T C 2.348 177.049 174.700 0.001 0.000 1.047 149 T CA 1.603 63.704 62.100 0.002 0.000 1.139 149 T CB -0.394 68.475 68.868 0.001 0.000 0.855 149 T HN 0.305 nan 8.240 nan 0.000 0.471 150 I N 1.208 121.779 120.570 0.002 0.000 2.163 150 I HA -0.115 4.054 4.170 -0.000 0.000 0.240 150 I C 3.035 179.153 176.117 0.001 0.000 1.081 150 I CA 1.496 62.796 61.300 0.000 0.000 1.353 150 I CB -0.669 37.331 38.000 0.001 0.000 1.054 150 I HN 0.323 nan 8.210 nan 0.000 0.407 151 S N 0.609 116.313 115.700 0.006 0.000 2.447 151 S HA -0.034 4.435 4.470 -0.000 0.000 0.233 151 S C 1.908 176.515 174.600 0.010 0.000 1.006 151 S CA 1.072 59.279 58.200 0.010 0.000 0.957 151 S CB -0.185 63.027 63.200 0.020 0.000 0.773 151 S HN 0.451 nan 8.310 nan 0.000 0.507 152 A N 1.144 123.968 122.820 0.008 0.000 2.238 152 A HA 0.273 4.593 4.320 -0.000 0.000 0.208 152 A C 0.700 178.285 177.584 0.002 0.000 1.177 152 A CA 0.436 52.476 52.037 0.006 0.000 0.804 152 A CB -0.802 18.201 19.000 0.004 0.000 0.823 152 A HN 0.828 nan 8.150 nan 0.000 0.482 153 N N -0.952 117.748 118.700 -0.000 0.000 2.792 153 N HA -0.221 4.519 4.740 -0.000 0.000 0.258 153 N C 0.366 175.872 175.510 -0.005 0.000 1.118 153 N CA 0.297 53.345 53.050 -0.005 0.000 0.672 153 N CB -1.157 37.328 38.487 -0.005 0.000 0.913 153 N HN 0.322 nan 8.380 nan 0.000 0.562 154 S N -1.077 114.620 115.700 -0.005 0.000 2.115 154 S HA -0.286 4.184 4.470 -0.000 0.000 0.227 154 S C 0.061 174.659 174.600 -0.003 0.000 1.127 154 S CA 1.471 59.668 58.200 -0.005 0.000 1.645 154 S CB -0.956 62.239 63.200 -0.007 0.000 2.159 154 S HN 0.848 nan 8.310 nan 0.000 0.584 155 D N 2.712 123.110 120.400 -0.003 0.000 2.419 155 D HA 0.007 4.647 4.640 -0.000 0.000 0.281 155 D C 1.081 177.380 176.300 -0.002 0.000 1.398 155 D CA 0.595 54.593 54.000 -0.002 0.000 1.047 155 D CB 0.205 41.004 40.800 -0.002 0.000 1.115 155 D HN 0.614 nan 8.370 nan 0.000 0.540 156 E N 1.286 121.485 120.200 -0.002 0.000 2.058 156 E HA -0.216 4.133 4.350 -0.000 0.000 0.194 156 E C 2.042 178.641 176.600 -0.002 0.000 0.997 156 E CA 1.795 58.195 56.400 -0.001 0.000 0.801 156 E CB -0.098 29.602 29.700 -0.001 0.000 0.746 156 E HN 0.697 nan 8.360 nan 0.000 0.450 157 T N -0.300 114.253 114.554 -0.002 0.000 2.714 157 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 157 T C 2.029 176.727 174.700 -0.003 0.000 1.036 157 T CA 1.747 63.845 62.100 -0.003 0.000 1.148 157 T CB -0.822 68.043 68.868 -0.003 0.000 0.856 157 T HN -0.023 nan 8.240 nan 0.000 0.462 158 V N 2.362 122.274 119.914 -0.003 0.000 2.216 158 V HA 0.002 4.122 4.120 -0.000 0.000 0.242 158 V C 3.206 179.298 176.094 -0.003 0.000 1.042 158 V CA 1.981 64.279 62.300 -0.003 0.000 0.991 158 V CB -1.692 30.130 31.823 -0.002 0.000 0.633 158 V HN 0.653 nan 8.190 nan 0.000 0.449 159 G N -0.263 108.536 108.800 -0.001 0.000 2.562 159 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.223 159 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.223 159 G C 1.557 176.456 174.900 -0.002 0.000 1.102 159 G CA 1.539 46.639 45.100 -0.001 0.000 0.742 159 G HN 0.562 nan 8.290 nan 0.000 0.587 160 K N -0.257 120.142 120.400 -0.002 0.000 1.965 160 K HA -0.105 4.215 4.320 -0.000 0.000 0.218 160 K C 2.494 179.091 176.600 -0.004 0.000 1.048 160 K CA 1.484 57.769 56.287 -0.003 0.000 0.960 160 K CB -0.392 32.106 32.500 -0.003 0.000 0.732 160 K HN 0.156 nan 8.250 nan 0.000 0.444 161 L N 1.580 122.799 121.223 -0.006 0.000 2.051 161 L HA -0.245 4.095 4.340 -0.000 0.000 0.214 161 L C 2.368 179.233 176.870 -0.009 0.000 1.076 161 L CA 1.722 56.557 54.840 -0.008 0.000 0.758 161 L CB -0.683 41.370 42.059 -0.010 0.000 0.890 161 L HN 0.369 nan 8.230 nan 0.000 0.433 162 I N -0.806 119.758 120.570 -0.009 0.000 2.208 162 I HA -0.355 3.815 4.170 -0.000 0.000 0.245 162 I C 2.620 178.733 176.117 -0.008 0.000 1.097 162 I CA 1.373 62.667 61.300 -0.010 0.000 1.363 162 I CB -0.678 37.317 38.000 -0.008 0.000 1.051 162 I HN 0.286 nan 8.210 nan 0.000 0.413 163 A N 0.586 123.403 122.820 -0.005 0.000 1.898 163 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 163 A C 2.208 179.789 177.584 -0.004 0.000 1.181 163 A CA 1.570 53.605 52.037 -0.003 0.000 0.620 163 A CB -0.548 18.451 19.000 -0.001 0.000 0.819 163 A HN 0.459 nan 8.150 nan 0.000 0.442 164 E N 0.077 120.274 120.200 -0.005 0.000 2.023 164 E HA -0.148 4.201 4.350 -0.000 0.000 0.196 164 E C 2.382 178.978 176.600 -0.007 0.000 1.003 164 E CA 0.984 57.380 56.400 -0.006 0.000 0.809 164 E CB -0.432 29.264 29.700 -0.006 0.000 0.755 164 E HN 0.585 nan 8.360 nan 0.000 0.449 165 A N 1.912 124.726 122.820 -0.009 0.000 1.859 165 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 165 A C 2.300 179.878 177.584 -0.010 0.000 1.242 165 A CA 2.461 54.491 52.037 -0.011 0.000 0.661 165 A CB -0.939 18.052 19.000 -0.015 0.000 0.842 165 A HN 0.190 nan 8.150 nan 0.000 0.455 166 M N -1.188 118.406 119.600 -0.009 0.000 2.192 166 M HA -0.220 4.260 4.480 -0.000 0.000 0.259 166 M C 1.723 178.020 176.300 -0.004 0.000 1.071 166 M CA 2.052 57.348 55.300 -0.006 0.000 1.082 166 M CB -0.726 31.872 32.600 -0.004 0.000 1.373 166 M HN 0.559 nan 8.290 nan 0.000 0.408 167 D N 0.282 120.680 120.400 -0.004 0.000 2.350 167 D HA -0.098 4.542 4.640 -0.000 0.000 0.216 167 D C 1.891 178.189 176.300 -0.004 0.000 0.968 167 D CA 0.935 54.933 54.000 -0.003 0.000 0.894 167 D CB 0.352 41.151 40.800 -0.003 0.000 0.909 167 D HN 0.144 nan 8.370 nan 0.000 0.520 168 K N -0.378 120.019 120.400 -0.005 0.000 2.183 168 K HA 0.096 4.416 4.320 -0.000 0.000 0.218 168 K C 1.538 178.135 176.600 -0.005 0.000 1.025 168 K CA 0.282 56.566 56.287 -0.005 0.000 0.944 168 K CB -0.997 31.498 32.500 -0.007 0.000 0.936 168 K HN -0.011 nan 8.250 nan 0.000 0.460 169 V N 1.200 121.110 119.914 -0.006 0.000 3.636 169 V HA 0.152 4.272 4.120 -0.000 0.000 0.279 169 V C 0.204 176.296 176.094 -0.003 0.000 1.263 169 V CA 1.016 63.313 62.300 -0.005 0.000 1.182 169 V CB -1.055 30.764 31.823 -0.007 0.000 0.955 169 V HN 0.653 nan 8.190 nan 0.000 0.443 170 G N 0.374 109.172 108.800 -0.003 0.000 2.746 170 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.685 170 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.685 170 G C 0.203 175.103 174.900 -0.001 0.000 1.350 170 G CA 0.070 45.170 45.100 -0.001 0.000 0.837 170 G HN 0.341 nan 8.290 nan 0.000 0.564 171 K N 0.067 120.468 120.400 0.001 0.000 2.097 171 K HA -0.086 4.234 4.320 -0.000 0.000 0.206 171 K C 1.871 178.473 176.600 0.003 0.000 1.049 171 K CA 1.924 58.212 56.287 0.002 0.000 0.933 171 K CB -0.013 32.490 32.500 0.005 0.000 0.717 171 K HN 0.437 nan 8.250 nan 0.000 0.442 172 E N 0.207 120.410 120.200 0.005 0.000 2.479 172 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 172 E C 0.543 177.145 176.600 0.003 0.000 1.049 172 E CA -0.076 56.328 56.400 0.007 0.000 0.870 172 E CB 0.289 29.995 29.700 0.011 0.000 0.944 172 E HN 0.306 nan 8.360 nan 0.000 0.492 173 G N -0.046 108.754 108.800 -0.001 0.000 2.750 173 G HA2 0.166 4.126 3.960 -0.000 0.000 0.250 173 G HA3 0.166 4.126 3.960 -0.000 0.000 0.250 173 G C -0.267 174.627 174.900 -0.009 0.000 1.230 173 G CA -0.481 44.617 45.100 -0.004 0.000 0.883 173 G HN 0.062 nan 8.290 nan 0.000 0.573 174 V N 1.027 120.933 119.914 -0.013 0.000 2.328 174 V HA 0.315 4.435 4.120 -0.000 0.000 0.278 174 V C -0.374 175.703 176.094 -0.029 0.000 1.021 174 V CA -0.336 61.950 62.300 -0.022 0.000 0.838 174 V CB 0.685 32.494 31.823 -0.024 0.000 0.999 174 V HN 0.432 nan 8.190 nan 0.000 0.447 175 I N 4.938 125.487 120.570 -0.036 0.000 2.441 175 I HA 0.709 4.878 4.170 -0.000 0.000 0.295 175 I C 0.522 176.609 176.117 -0.050 0.000 0.994 175 I CA 0.084 61.360 61.300 -0.039 0.000 1.144 175 I CB 2.214 40.190 38.000 -0.039 0.000 1.314 175 I HN 0.749 nan 8.210 nan 0.000 0.445 176 T N 2.126 116.653 114.554 -0.045 0.000 2.864 176 T HA 0.912 5.262 4.350 -0.000 0.000 0.289 176 T C -0.841 173.835 174.700 -0.040 0.000 1.082 176 T CA -0.813 61.259 62.100 -0.047 0.000 1.009 176 T CB 1.716 70.558 68.868 -0.043 0.000 1.234 176 T HN 0.236 nan 8.240 nan 0.000 0.526 177 V N 0.937 120.828 119.914 -0.038 0.000 2.686 177 V HA 0.617 4.737 4.120 -0.000 0.000 0.306 177 V C -0.853 175.226 176.094 -0.024 0.000 1.065 177 V CA -0.812 61.470 62.300 -0.030 0.000 0.894 177 V CB 1.655 33.460 31.823 -0.030 0.000 1.004 177 V HN 1.037 nan 8.190 nan 0.000 0.424 178 E N 1.675 121.863 120.200 -0.021 0.000 2.317 178 E HA 0.472 4.822 4.350 -0.000 0.000 0.270 178 E C -1.609 174.981 176.600 -0.016 0.000 0.885 178 E CA -1.056 55.333 56.400 -0.019 0.000 0.760 178 E CB 2.256 31.943 29.700 -0.021 0.000 1.227 178 E HN 0.694 nan 8.360 nan 0.000 0.434 179 D N 1.000 121.392 120.400 -0.014 0.000 2.449 179 D HA 0.190 4.830 4.640 -0.000 0.000 0.236 179 D C 0.266 176.558 176.300 -0.013 0.000 1.149 179 D CA 0.611 54.604 54.000 -0.012 0.000 0.878 179 D CB 0.537 41.331 40.800 -0.011 0.000 1.198 179 D HN 0.460 nan 8.370 nan 0.000 0.446 180 G N -0.202 108.591 108.800 -0.011 0.000 2.467 180 G HA2 0.291 4.251 3.960 -0.000 0.000 0.257 180 G HA3 0.291 4.251 3.960 -0.000 0.000 0.257 180 G C 1.143 176.037 174.900 -0.011 0.000 1.227 180 G CA -0.280 44.813 45.100 -0.011 0.000 0.835 180 G HN 0.534 nan 8.290 nan 0.000 0.556 181 T N -0.197 114.350 114.554 -0.011 0.000 2.942 181 T HA 0.244 4.593 4.350 -0.000 0.000 0.265 181 T C 1.368 176.063 174.700 -0.009 0.000 1.062 181 T CA 1.074 63.168 62.100 -0.011 0.000 1.139 181 T CB 0.061 68.922 68.868 -0.012 0.000 0.883 181 T HN 0.725 nan 8.240 nan 0.000 0.468 182 G N 0.605 109.400 108.800 -0.009 0.000 3.234 182 G HA2 0.530 4.490 3.960 -0.000 0.000 0.159 182 G HA3 0.530 4.490 3.960 -0.000 0.000 0.159 182 G C 0.161 175.056 174.900 -0.007 0.000 1.175 182 G CA -0.145 44.950 45.100 -0.008 0.000 0.900 182 G HN 0.233 nan 8.290 nan 0.000 0.621 183 L N -0.798 120.421 121.223 -0.007 0.000 2.416 183 L HA 0.396 4.736 4.340 -0.000 0.000 0.216 183 L C 0.709 177.575 176.870 -0.006 0.000 1.098 183 L CA 0.562 55.398 54.840 -0.006 0.000 0.840 183 L CB -0.243 41.812 42.059 -0.005 0.000 0.981 183 L HN 0.192 nan 8.230 nan 0.000 0.462 184 Q N 1.223 121.019 119.800 -0.007 0.000 2.259 184 Q HA 0.195 4.535 4.340 -0.000 0.000 0.249 184 Q C -0.803 175.192 176.000 -0.008 0.000 0.914 184 Q CA -0.308 55.491 55.803 -0.007 0.000 0.904 184 Q CB 1.091 29.826 28.738 -0.007 0.000 1.213 184 Q HN 0.229 nan 8.270 nan 0.000 0.428 185 D N 1.654 122.049 120.400 -0.008 0.000 2.339 185 D HA 0.212 4.852 4.640 -0.000 0.000 0.245 185 D C -0.337 175.957 176.300 -0.009 0.000 1.115 185 D CA 0.197 54.191 54.000 -0.009 0.000 0.917 185 D CB 0.833 41.628 40.800 -0.008 0.000 1.192 185 D HN 0.283 nan 8.370 nan 0.000 0.428 186 E N 0.465 120.658 120.200 -0.011 0.000 2.278 186 E HA 0.420 4.769 4.350 -0.000 0.000 0.272 186 E C -0.986 175.606 176.600 -0.013 0.000 0.890 186 E CA -0.633 55.761 56.400 -0.012 0.000 0.770 186 E CB 2.450 32.143 29.700 -0.012 0.000 1.212 186 E HN 0.205 nan 8.360 nan 0.000 0.415 187 L N 3.547 124.763 121.223 -0.012 0.000 2.325 187 L HA 0.513 4.853 4.340 -0.000 0.000 0.281 187 L C -1.510 175.352 176.870 -0.013 0.000 1.004 187 L CA -0.426 54.406 54.840 -0.013 0.000 0.823 187 L CB 0.811 42.863 42.059 -0.012 0.000 1.236 187 L HN 0.523 nan 8.230 nan 0.000 0.415 188 D N 4.161 124.552 120.400 -0.015 0.000 2.732 188 D HA 0.415 5.055 4.640 -0.000 0.000 0.229 188 D C -0.909 175.382 176.300 -0.015 0.000 1.152 188 D CA -0.159 53.832 54.000 -0.014 0.000 0.854 188 D CB 2.906 43.697 40.800 -0.015 0.000 1.590 188 D HN 0.313 nan 8.370 nan 0.000 0.468 189 V N -0.741 119.165 119.914 -0.014 0.000 2.398 189 V HA 0.811 4.931 4.120 -0.000 0.000 0.286 189 V C -0.171 175.915 176.094 -0.013 0.000 1.026 189 V CA -0.599 61.693 62.300 -0.013 0.000 0.868 189 V CB 1.447 33.263 31.823 -0.011 0.000 0.982 189 V HN 0.324 nan 8.190 nan 0.000 0.443 190 V N 2.999 122.904 119.914 -0.015 0.000 3.049 190 V HA 0.547 4.667 4.120 -0.000 0.000 0.309 190 V C -0.383 175.702 176.094 -0.014 0.000 1.148 190 V CA -0.547 61.744 62.300 -0.015 0.000 0.990 190 V CB 2.311 34.123 31.823 -0.018 0.000 1.039 190 V HN 1.038 nan 8.190 nan 0.000 0.430 191 E N 3.084 123.277 120.200 -0.011 0.000 2.585 191 E HA 0.429 4.779 4.350 -0.000 0.000 0.252 191 E C 0.256 176.849 176.600 -0.011 0.000 0.981 191 E CA 1.101 57.496 56.400 -0.008 0.000 0.943 191 E CB 0.512 30.208 29.700 -0.006 0.000 0.923 191 E HN 1.087 nan 8.360 nan 0.000 0.486 192 G N 1.413 110.208 108.800 -0.009 0.000 2.495 192 G HA2 0.560 4.520 3.960 -0.000 0.000 0.294 192 G HA3 0.560 4.520 3.960 -0.000 0.000 0.294 192 G C -1.137 173.757 174.900 -0.009 0.000 1.397 192 G CA -0.533 44.559 45.100 -0.014 0.000 0.790 192 G HN 0.411 nan 8.290 nan 0.000 0.486 193 M N -0.710 118.877 119.600 -0.022 0.000 2.949 193 M HA 0.654 5.134 4.480 -0.000 0.000 0.270 193 M C -2.300 173.956 176.300 -0.074 0.000 1.221 193 M CA -0.686 54.606 55.300 -0.013 0.000 0.818 193 M CB 2.222 34.847 32.600 0.041 0.000 1.635 193 M HN 0.836 nan 8.290 nan 0.000 0.492 194 Q N 1.686 121.451 119.800 -0.059 0.000 2.482 194 Q HA 0.703 5.043 4.340 -0.000 0.000 0.286 194 Q C -2.285 173.701 176.000 -0.024 0.000 1.007 194 Q CA -0.635 55.063 55.803 -0.175 0.000 0.801 194 Q CB 2.825 31.494 28.738 -0.116 0.000 1.455 194 Q HN 0.632 nan 8.270 nan 0.000 0.398 195 F N -0.927 119.032 119.950 0.016 0.000 2.703 195 F HA 0.430 4.956 4.527 -0.000 0.000 0.308 195 F C -1.551 174.261 175.800 0.020 0.000 1.126 195 F CA -1.382 56.629 58.000 0.019 0.000 0.959 195 F CB 0.657 39.671 39.000 0.022 0.000 1.297 195 F HN 0.310 nan 8.300 nan 0.000 0.441 196 D N 2.530 123.136 120.400 0.343 0.000 2.398 196 D HA 0.416 5.056 4.640 -0.000 0.000 0.250 196 D C -0.433 176.019 176.300 0.255 0.000 1.287 196 D CA 0.544 54.675 54.000 0.218 0.000 0.992 196 D CB 0.187 41.064 40.800 0.129 0.000 1.071 196 D HN 0.533 nan 8.370 nan 0.000 0.514 197 R N 0.627 121.298 120.500 0.285 0.000 2.572 197 R HA 0.551 4.891 4.340 -0.000 0.000 0.273 197 R C -0.322 176.064 176.300 0.144 0.000 1.168 197 R CA -0.566 55.678 56.100 0.240 0.000 1.021 197 R CB 1.548 32.089 30.300 0.402 0.000 1.249 197 R HN 0.342 nan 8.270 nan 0.000 0.423 198 G N 1.803 110.611 108.800 0.013 0.000 2.461 198 G HA2 0.418 4.378 3.960 -0.000 0.000 0.329 198 G HA3 0.418 4.378 3.960 -0.000 0.000 0.329 198 G C -0.780 174.075 174.900 -0.074 0.000 1.170 198 G CA -0.629 44.388 45.100 -0.138 0.000 0.935 198 G HN 0.523 nan 8.290 nan 0.000 0.492 199 Y N -0.839 119.539 120.300 0.130 0.000 2.812 199 Y HA 0.211 4.760 4.550 -0.000 0.000 0.348 199 Y C 0.626 176.582 175.900 0.094 0.000 1.274 199 Y CA -0.899 57.307 58.100 0.176 0.000 1.489 199 Y CB 0.175 38.763 38.460 0.214 0.000 1.348 199 Y HN 0.121 nan 8.280 nan 0.000 0.646 200 L N 1.860 123.306 121.223 0.371 0.000 2.685 200 L HA 0.328 4.668 4.340 -0.000 0.000 0.233 200 L C 0.225 177.093 176.870 -0.004 0.000 1.173 200 L CA 0.438 55.385 54.840 0.179 0.000 0.961 200 L CB -0.701 41.451 42.059 0.155 0.000 1.217 200 L HN 0.735 nan 8.230 nan 0.000 0.478 201 S N -1.606 114.025 115.700 -0.115 0.000 2.586 201 S HA 0.367 4.837 4.470 -0.000 0.000 0.296 201 S C -2.398 171.758 174.600 -0.740 0.000 1.120 201 S CA -0.600 57.279 58.200 -0.534 0.000 0.927 201 S CB 1.377 63.861 63.200 -1.193 0.000 1.114 201 S HN -0.146 nan 8.310 nan 0.000 0.453 202 P HA -0.012 nan 4.420 nan 0.000 0.218 202 P C 0.342 177.393 177.300 -0.415 0.000 1.149 202 P CA 0.897 63.659 63.100 -0.563 0.000 0.817 202 P CB -0.081 31.477 31.700 -0.236 0.000 0.785 203 Y N -2.277 117.804 120.300 -0.365 0.000 2.621 203 Y HA -0.031 4.519 4.550 -0.000 0.000 0.330 203 Y C 1.379 177.320 175.900 0.067 0.000 1.219 203 Y CA 0.435 58.442 58.100 -0.156 0.000 1.286 203 Y CB -1.193 37.203 38.460 -0.107 0.000 1.053 203 Y HN -0.008 nan 8.280 nan 0.000 0.498 204 F N -1.057 118.834 119.950 -0.098 0.000 2.653 204 F HA 0.224 4.751 4.527 -0.000 0.000 0.288 204 F C 1.091 176.823 175.800 -0.113 0.000 1.121 204 F CA -1.209 56.738 58.000 -0.088 0.000 1.384 204 F CB -0.524 38.417 39.000 -0.098 0.000 1.115 204 F HN -0.182 nan 8.300 nan 0.000 0.599 205 I N 3.659 124.223 120.570 -0.011 0.000 2.906 205 I HA -0.205 3.965 4.170 -0.000 0.000 0.301 205 I C 1.105 177.221 176.117 -0.002 0.000 1.221 205 I CA 0.590 61.867 61.300 -0.038 0.000 1.435 205 I CB 0.209 38.146 38.000 -0.105 0.000 1.345 205 I HN 0.253 nan 8.210 nan 0.000 0.558 206 N N 5.197 123.903 118.700 0.010 0.000 2.171 206 N HA 0.027 4.767 4.740 -0.000 0.000 0.212 206 N C -0.155 175.355 175.510 -0.001 0.000 1.184 206 N CA -0.153 52.900 53.050 0.005 0.000 0.888 206 N CB 0.658 39.149 38.487 0.007 0.000 1.038 206 N HN 0.396 nan 8.380 nan 0.000 0.517 207 K N 2.191 122.593 120.400 0.002 0.000 2.606 207 K HA 0.317 4.637 4.320 -0.000 0.000 0.196 207 K C -1.805 174.796 176.600 0.001 0.000 1.048 207 K CA -1.845 54.444 56.287 0.004 0.000 1.017 207 K CB 2.130 34.638 32.500 0.014 0.000 1.413 207 K HN -0.002 nan 8.250 nan 0.000 0.568 208 P HA -0.231 nan 4.420 nan 0.000 0.213 208 P C 0.876 178.172 177.300 -0.007 0.000 1.176 208 P CA 1.363 64.451 63.100 -0.020 0.000 0.919 208 P CB 0.419 32.102 31.700 -0.028 0.000 0.791 209 E N -0.847 119.352 120.200 -0.003 0.000 2.331 209 E HA -0.095 4.255 4.350 -0.000 0.000 0.199 209 E C 1.550 178.160 176.600 0.017 0.000 1.008 209 E CA 1.220 57.623 56.400 0.005 0.000 0.843 209 E CB -0.588 29.114 29.700 0.004 0.000 0.761 209 E HN 0.376 nan 8.360 nan 0.000 0.507 210 T N -1.622 112.946 114.554 0.023 0.000 2.985 210 T HA 0.207 4.556 4.350 -0.000 0.000 0.254 210 T C 1.190 175.923 174.700 0.055 0.000 1.021 210 T CA 0.411 62.535 62.100 0.040 0.000 0.957 210 T CB 0.779 69.670 68.868 0.039 0.000 1.047 210 T HN 0.269 nan 8.240 nan 0.000 0.511 211 G N 2.034 110.859 108.800 0.042 0.000 2.258 211 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.274 211 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.274 211 G C 0.172 175.139 174.900 0.111 0.000 1.021 211 G CA 0.259 45.396 45.100 0.061 0.000 0.798 211 G HN 0.919 nan 8.290 nan 0.000 0.507 212 A N -1.312 121.556 122.820 0.081 0.000 2.322 212 A HA 0.881 5.201 4.320 -0.000 0.000 0.327 212 A C -0.174 177.456 177.584 0.077 0.000 1.134 212 A CA -0.310 51.786 52.037 0.099 0.000 0.831 212 A CB 2.124 21.166 19.000 0.070 0.000 1.288 212 A HN 1.104 nan 8.150 nan 0.000 0.472 213 V N 2.015 121.986 119.914 0.095 0.000 2.305 213 V HA 0.261 4.381 4.120 -0.000 0.000 0.275 213 V C -0.462 175.658 176.094 0.043 0.000 1.020 213 V CA -0.319 62.025 62.300 0.072 0.000 0.811 213 V CB 0.681 32.573 31.823 0.115 0.000 1.031 213 V HN 0.913 nan 8.190 nan 0.000 0.439 214 E N 5.276 125.488 120.200 0.021 0.000 2.146 214 E HA 0.589 4.939 4.350 -0.000 0.000 0.282 214 E C -1.045 175.553 176.600 -0.004 0.000 0.989 214 E CA -0.384 56.019 56.400 0.005 0.000 0.799 214 E CB 1.855 31.555 29.700 0.000 0.000 1.088 214 E HN 0.516 nan 8.360 nan 0.000 0.397 215 L N 2.920 124.137 121.223 -0.011 0.000 2.362 215 L HA 0.326 4.666 4.340 -0.000 0.000 0.275 215 L C 0.010 176.865 176.870 -0.025 0.000 0.998 215 L CA -1.013 53.817 54.840 -0.017 0.000 0.820 215 L CB 1.682 43.731 42.059 -0.018 0.000 1.270 215 L HN 0.342 nan 8.230 nan 0.000 0.415 216 E N 1.995 122.179 120.200 -0.027 0.000 2.152 216 E HA 0.084 4.434 4.350 -0.000 0.000 0.285 216 E C 0.474 177.037 176.600 -0.062 0.000 1.043 216 E CA -0.028 56.349 56.400 -0.039 0.000 0.839 216 E CB 1.210 30.891 29.700 -0.032 0.000 1.069 216 E HN 0.684 nan 8.360 nan 0.000 0.399 217 S N 1.821 117.474 115.700 -0.079 0.000 3.294 217 S HA -0.179 4.291 4.470 -0.000 0.000 0.361 217 S C -2.311 172.175 174.600 -0.190 0.000 0.935 217 S CA -0.060 58.064 58.200 -0.127 0.000 1.263 217 S CB -1.744 61.373 63.200 -0.138 0.000 0.891 217 S HN 0.254 nan 8.310 nan 0.000 0.487 218 P HA 0.576 nan 4.420 nan 0.000 0.276 218 P C 0.388 177.614 177.300 -0.123 0.000 1.261 218 P CA -0.795 62.261 63.100 -0.075 0.000 0.800 218 P CB 0.330 32.042 31.700 0.019 0.000 1.066 219 F N -0.246 119.697 119.950 -0.012 0.000 2.368 219 F HA 0.418 4.945 4.527 -0.000 0.000 0.308 219 F C 0.791 176.590 175.800 -0.002 0.000 1.198 219 F CA 0.092 58.088 58.000 -0.006 0.000 1.130 219 F CB 0.032 39.028 39.000 -0.007 0.000 1.300 219 F HN 0.003 nan 8.300 nan 0.000 0.537 220 I N 2.409 123.103 120.570 0.207 0.000 2.569 220 I HA 0.258 4.428 4.170 -0.000 0.000 0.290 220 I C -1.381 174.798 176.117 0.104 0.000 1.088 220 I CA -0.778 60.595 61.300 0.122 0.000 1.047 220 I CB 2.047 40.098 38.000 0.084 0.000 1.237 220 I HN 0.248 nan 8.210 nan 0.000 0.421 221 L N 7.149 128.421 121.223 0.082 0.000 2.309 221 L HA 0.563 4.903 4.340 -0.000 0.000 0.282 221 L C -0.998 175.907 176.870 0.059 0.000 1.036 221 L CA -0.491 54.386 54.840 0.061 0.000 0.806 221 L CB 1.627 43.713 42.059 0.045 0.000 1.220 221 L HN 0.642 nan 8.230 nan 0.000 0.429 222 L N 5.956 127.208 121.223 0.047 0.000 2.581 222 L HA 0.403 4.743 4.340 -0.000 0.000 0.241 222 L C 0.730 177.617 176.870 0.029 0.000 1.265 222 L CA -0.370 54.495 54.840 0.042 0.000 0.954 222 L CB 0.905 42.987 42.059 0.040 0.000 1.269 222 L HN 0.733 nan 8.230 nan 0.000 0.475 223 A N 0.359 123.197 122.820 0.029 0.000 2.261 223 A HA 0.162 4.482 4.320 -0.000 0.000 0.275 223 A C 0.618 178.211 177.584 0.015 0.000 1.246 223 A CA 0.671 52.720 52.037 0.021 0.000 0.810 223 A CB 0.333 19.347 19.000 0.024 0.000 1.168 223 A HN 0.612 nan 8.150 nan 0.000 0.506 224 D N -3.104 117.303 120.400 0.013 0.000 2.430 224 D HA 0.116 4.756 4.640 -0.000 0.000 0.289 224 D C 0.257 176.563 176.300 0.010 0.000 1.215 224 D CA 0.359 54.364 54.000 0.008 0.000 0.838 224 D CB 0.075 40.878 40.800 0.006 0.000 1.290 224 D HN 0.653 nan 8.370 nan 0.000 0.521 225 K N -0.494 119.914 120.400 0.013 0.000 2.307 225 K HA 0.657 4.977 4.320 -0.000 0.000 0.239 225 K C -0.806 175.805 176.600 0.018 0.000 1.083 225 K CA -0.983 55.313 56.287 0.014 0.000 0.913 225 K CB 1.071 33.578 32.500 0.013 0.000 1.322 225 K HN -0.327 nan 8.250 nan 0.000 0.514 226 K N 0.914 121.325 120.400 0.019 0.000 2.201 226 K HA 0.320 4.640 4.320 -0.000 0.000 0.278 226 K C -0.643 175.970 176.600 0.022 0.000 1.027 226 K CA -0.445 55.855 56.287 0.022 0.000 0.909 226 K CB 0.794 33.306 32.500 0.020 0.000 1.062 226 K HN 0.438 nan 8.250 nan 0.000 0.465 227 I N 3.451 124.038 120.570 0.028 0.000 2.307 227 I HA 0.066 4.236 4.170 -0.000 0.000 0.287 227 I C 1.004 177.137 176.117 0.027 0.000 1.054 227 I CA 0.078 61.394 61.300 0.027 0.000 1.218 227 I CB 0.109 38.129 38.000 0.032 0.000 1.398 227 I HN 0.737 nan 8.210 nan 0.000 0.475 228 S N 4.457 120.169 115.700 0.020 0.000 2.444 228 S HA 0.086 4.556 4.470 -0.000 0.000 0.223 228 S C 0.880 175.489 174.600 0.015 0.000 1.054 228 S CA -0.033 58.177 58.200 0.017 0.000 0.947 228 S CB 0.138 63.345 63.200 0.013 0.000 0.850 228 S HN 0.619 nan 8.310 nan 0.000 0.527 229 N N 0.857 119.564 118.700 0.012 0.000 2.518 229 N HA 0.276 5.016 4.740 -0.000 0.000 0.283 229 N C 0.513 176.028 175.510 0.009 0.000 1.119 229 N CA -0.201 52.854 53.050 0.009 0.000 0.983 229 N CB 1.107 39.597 38.487 0.006 0.000 1.139 229 N HN 0.136 nan 8.380 nan 0.000 0.465 230 I N 3.172 123.747 120.570 0.008 0.000 2.286 230 I HA -0.098 4.072 4.170 -0.000 0.000 0.245 230 I C 2.464 178.582 176.117 0.002 0.000 1.104 230 I CA 0.595 61.899 61.300 0.007 0.000 1.397 230 I CB -0.692 37.311 38.000 0.005 0.000 1.072 230 I HN 0.633 nan 8.210 nan 0.000 0.417 231 R N 1.495 121.995 120.500 0.000 0.000 2.271 231 R HA -0.385 3.955 4.340 -0.000 0.000 0.235 231 R C 2.154 178.451 176.300 -0.004 0.000 1.112 231 R CA 2.891 58.989 56.100 -0.003 0.000 0.886 231 R CB -0.535 29.764 30.300 -0.002 0.000 0.934 231 R HN 0.346 nan 8.270 nan 0.000 0.420 232 E N -0.199 120.000 120.200 -0.002 0.000 2.271 232 E HA -0.271 4.079 4.350 -0.000 0.000 0.209 232 E C 1.859 178.455 176.600 -0.008 0.000 1.046 232 E CA 2.332 58.730 56.400 -0.003 0.000 0.840 232 E CB -0.270 29.431 29.700 0.001 0.000 0.738 232 E HN 0.383 nan 8.360 nan 0.000 0.470 233 M N -0.530 119.065 119.600 -0.008 0.000 2.193 233 M HA 0.037 4.517 4.480 -0.000 0.000 0.265 233 M C 1.846 178.132 176.300 -0.024 0.000 1.071 233 M CA 1.027 56.318 55.300 -0.015 0.000 1.140 233 M CB -0.387 32.206 32.600 -0.011 0.000 1.369 233 M HN 0.061 nan 8.290 nan 0.000 0.423 234 L N 0.218 121.430 121.223 -0.020 0.000 2.095 234 L HA -0.325 4.015 4.340 -0.000 0.000 0.229 234 L C -0.457 176.394 176.870 -0.031 0.000 1.097 234 L CA 2.016 56.842 54.840 -0.023 0.000 0.813 234 L CB -2.833 39.216 42.059 -0.017 0.000 0.907 234 L HN 0.251 nan 8.230 nan 0.000 0.445 235 P HA -0.161 nan 4.420 nan 0.000 0.213 235 P C 1.809 179.076 177.300 -0.054 0.000 1.170 235 P CA 2.521 65.599 63.100 -0.037 0.000 0.898 235 P CB -0.266 31.416 31.700 -0.030 0.000 0.787 236 V N -1.854 118.025 119.914 -0.059 0.000 2.358 236 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 236 V C 2.686 178.718 176.094 -0.103 0.000 1.047 236 V CA 1.554 63.801 62.300 -0.088 0.000 1.035 236 V CB -2.195 29.584 31.823 -0.074 0.000 0.658 236 V HN -0.079 nan 8.190 nan 0.000 0.452 237 L N 1.201 122.381 121.223 -0.072 0.000 2.189 237 L HA -0.180 4.160 4.340 -0.000 0.000 0.214 237 L C 2.458 179.285 176.870 -0.073 0.000 1.097 237 L CA 2.547 57.347 54.840 -0.067 0.000 0.764 237 L CB -0.853 41.181 42.059 -0.042 0.000 0.900 237 L HN 0.659 nan 8.230 nan 0.000 0.436 238 E N -1.232 118.926 120.200 -0.070 0.000 2.190 238 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 238 E C 2.096 178.645 176.600 -0.085 0.000 0.978 238 E CA 0.661 57.023 56.400 -0.063 0.000 0.839 238 E CB -0.026 29.646 29.700 -0.047 0.000 0.787 238 E HN 0.572 nan 8.360 nan 0.000 0.473 239 A N 0.974 123.724 122.820 -0.116 0.000 1.930 239 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 239 A C 2.295 179.747 177.584 -0.220 0.000 1.175 239 A CA 1.527 53.473 52.037 -0.152 0.000 0.627 239 A CB -0.647 18.248 19.000 -0.176 0.000 0.815 239 A HN 0.302 nan 8.150 nan 0.000 0.443 240 V N -3.414 116.340 119.914 -0.268 0.000 3.306 240 V HA 0.297 4.417 4.120 -0.000 0.000 0.264 240 V C 2.150 178.175 176.094 -0.115 0.000 1.149 240 V CA 1.221 63.335 62.300 -0.310 0.000 1.143 240 V CB -0.817 30.819 31.823 -0.313 0.000 0.767 240 V HN 0.445 nan 8.190 nan 0.000 0.476 241 A N 0.877 123.644 122.820 -0.087 0.000 1.898 241 A HA 0.035 4.355 4.320 -0.000 0.000 0.214 241 A C 2.304 179.872 177.584 -0.027 0.000 1.183 241 A CA 1.520 53.531 52.037 -0.043 0.000 0.622 241 A CB -0.313 18.663 19.000 -0.040 0.000 0.824 241 A HN 0.529 nan 8.150 nan 0.000 0.444 242 K N -0.332 120.045 120.400 -0.039 0.000 2.243 242 K HA 0.186 4.506 4.320 -0.000 0.000 0.201 242 K C 1.956 178.554 176.600 -0.003 0.000 1.051 242 K CA 0.689 56.964 56.287 -0.020 0.000 0.970 242 K CB -0.085 32.400 32.500 -0.026 0.000 0.755 242 K HN 0.384 nan 8.250 nan 0.000 0.465 243 A N 0.891 123.702 122.820 -0.015 0.000 2.168 243 A HA 0.044 4.364 4.320 -0.000 0.000 0.215 243 A C 1.629 179.285 177.584 0.119 0.000 1.152 243 A CA 1.130 53.202 52.037 0.058 0.000 0.716 243 A CB -0.694 18.303 19.000 -0.004 0.000 0.794 243 A HN 0.420 nan 8.150 nan 0.000 0.465 244 G N -0.962 107.881 108.800 0.071 0.000 2.180 244 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.263 244 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.263 244 G C 0.241 175.203 174.900 0.103 0.000 0.989 244 G CA 1.116 46.258 45.100 0.070 0.000 0.692 244 G HN 0.647 nan 8.290 nan 0.000 0.526 245 K N 0.166 120.686 120.400 0.201 0.000 2.221 245 K HA 0.566 4.886 4.320 -0.000 0.000 0.243 245 K C -2.491 174.234 176.600 0.209 0.000 0.968 245 K CA -2.243 54.171 56.287 0.212 0.000 0.846 245 K CB 1.735 34.396 32.500 0.268 0.000 1.141 245 K HN -0.038 nan 8.250 nan 0.000 0.434 246 P HA 0.112 nan 4.420 nan 0.000 0.274 246 P C -1.240 176.156 177.300 0.159 0.000 1.260 246 P CA -0.540 62.611 63.100 0.085 0.000 0.793 246 P CB 0.495 32.210 31.700 0.025 0.000 1.048 247 L N 1.364 122.635 121.223 0.080 0.000 2.482 247 L HA 0.496 4.836 4.340 -0.000 0.000 0.263 247 L C -1.854 175.032 176.870 0.026 0.000 0.957 247 L CA -0.790 54.108 54.840 0.097 0.000 0.836 247 L CB 1.744 43.841 42.059 0.064 0.000 1.324 247 L HN 0.285 nan 8.230 nan 0.000 0.406 248 L N 5.289 126.543 121.223 0.051 0.000 2.334 248 L HA 0.647 4.987 4.340 -0.000 0.000 0.273 248 L C -1.046 175.857 176.870 0.055 0.000 1.013 248 L CA -0.536 54.325 54.840 0.035 0.000 0.816 248 L CB 2.116 44.202 42.059 0.045 0.000 1.278 248 L HN 0.670 nan 8.230 nan 0.000 0.431 249 I N 4.430 125.036 120.570 0.061 0.000 2.646 249 I HA 0.492 4.662 4.170 -0.000 0.000 0.299 249 I C -0.706 175.473 176.117 0.103 0.000 1.036 249 I CA -0.700 60.644 61.300 0.073 0.000 1.074 249 I CB 2.643 40.679 38.000 0.060 0.000 1.258 249 I HN 0.465 nan 8.210 nan 0.000 0.430 250 I N 4.352 124.978 120.570 0.092 0.000 2.563 250 I HA 0.660 4.829 4.170 -0.000 0.000 0.285 250 I C -0.388 175.761 176.117 0.054 0.000 1.123 250 I CA -0.076 61.280 61.300 0.095 0.000 1.059 250 I CB 1.715 39.786 38.000 0.118 0.000 1.229 250 I HN 0.764 nan 8.210 nan 0.000 0.442 251 A N 4.735 127.582 122.820 0.045 0.000 2.588 251 A HA 0.570 4.890 4.320 -0.000 0.000 0.309 251 A C 0.439 178.037 177.584 0.023 0.000 1.173 251 A CA -0.445 51.609 52.037 0.027 0.000 0.631 251 A CB 0.887 19.906 19.000 0.032 0.000 1.364 251 A HN 0.466 nan 8.150 nan 0.000 0.526 252 E N 0.496 120.709 120.200 0.022 0.000 2.012 252 E HA -0.127 4.223 4.350 -0.000 0.000 0.211 252 E C 0.024 176.642 176.600 0.030 0.000 1.029 252 E CA 1.945 58.358 56.400 0.023 0.000 0.867 252 E CB -0.000 29.713 29.700 0.023 0.000 0.790 252 E HN 0.624 nan 8.360 nan 0.000 0.482 253 D N -2.105 118.316 120.400 0.036 0.000 3.145 253 D HA 0.300 4.939 4.640 -0.000 0.000 0.345 253 D C -1.544 174.786 176.300 0.050 0.000 1.391 253 D CA -0.474 53.553 54.000 0.045 0.000 0.930 253 D CB 1.578 42.399 40.800 0.035 0.000 1.451 253 D HN -0.122 nan 8.370 nan 0.000 0.555 254 V N 1.321 121.267 119.914 0.054 0.000 2.655 254 V HA 0.322 4.442 4.120 -0.000 0.000 0.301 254 V C -1.027 175.092 176.094 0.042 0.000 1.082 254 V CA -0.765 61.568 62.300 0.055 0.000 0.899 254 V CB 1.742 33.614 31.823 0.082 0.000 1.014 254 V HN 0.377 nan 8.190 nan 0.000 0.429 255 E N 2.361 122.580 120.200 0.031 0.000 2.283 255 E HA 0.479 4.829 4.350 -0.000 0.000 0.278 255 E C 1.377 177.987 176.600 0.017 0.000 1.027 255 E CA 0.523 56.934 56.400 0.020 0.000 0.843 255 E CB 1.432 31.140 29.700 0.014 0.000 1.062 255 E HN 0.740 nan 8.360 nan 0.000 0.401 256 G N 3.036 111.840 108.800 0.007 0.000 2.728 256 G HA2 -0.478 3.482 3.960 -0.000 0.000 0.224 256 G HA3 -0.478 3.482 3.960 -0.000 0.000 0.224 256 G C 1.315 176.215 174.900 0.000 0.000 1.139 256 G CA 1.579 46.677 45.100 -0.004 0.000 0.761 256 G HN 0.724 nan 8.290 nan 0.000 0.621 257 E N 0.435 120.636 120.200 0.002 0.000 2.113 257 E HA -0.227 4.123 4.350 -0.000 0.000 0.210 257 E C 2.615 179.220 176.600 0.008 0.000 1.040 257 E CA 1.881 58.283 56.400 0.003 0.000 0.847 257 E CB -0.370 29.332 29.700 0.004 0.000 0.755 257 E HN 0.472 nan 8.360 nan 0.000 0.459 258 A N 0.407 123.237 122.820 0.017 0.000 1.997 258 A HA 0.099 4.419 4.320 -0.000 0.000 0.212 258 A C 2.060 179.669 177.584 0.041 0.000 1.178 258 A CA 0.356 52.408 52.037 0.025 0.000 0.698 258 A CB -0.348 18.668 19.000 0.028 0.000 0.842 258 A HN 0.387 nan 8.150 nan 0.000 0.458 259 L N -0.176 121.073 121.223 0.044 0.000 1.950 259 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 259 L C 2.802 179.700 176.870 0.046 0.000 1.079 259 L CA 1.616 56.496 54.840 0.067 0.000 0.754 259 L CB -0.529 41.558 42.059 0.048 0.000 0.889 259 L HN 0.343 nan 8.230 nan 0.000 0.433 260 A N -0.377 122.440 122.820 -0.004 0.000 2.009 260 A HA -0.324 3.996 4.320 -0.000 0.000 0.222 260 A C 2.275 179.845 177.584 -0.024 0.000 1.175 260 A CA 2.846 54.855 52.037 -0.046 0.000 0.651 260 A CB -1.489 17.476 19.000 -0.059 0.000 0.815 260 A HN 0.750 nan 8.150 nan 0.000 0.459 261 T N -1.345 113.210 114.554 0.003 0.000 2.674 261 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 261 T C 1.839 176.558 174.700 0.030 0.000 1.039 261 T CA 1.448 63.554 62.100 0.009 0.000 1.150 261 T CB -0.715 68.159 68.868 0.010 0.000 0.864 261 T HN 0.330 nan 8.240 nan 0.000 0.427 262 L N 1.023 122.283 121.223 0.061 0.000 2.079 262 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 262 L C 2.997 179.956 176.870 0.148 0.000 1.081 262 L CA 0.953 55.844 54.840 0.084 0.000 0.752 262 L CB -0.943 41.176 42.059 0.099 0.000 0.896 262 L HN 0.184 nan 8.230 nan 0.000 0.433 263 V N -0.285 119.747 119.914 0.196 0.000 2.231 263 V HA -0.325 3.795 4.120 -0.000 0.000 0.250 263 V C 2.410 178.568 176.094 0.107 0.000 1.058 263 V CA 2.165 64.589 62.300 0.207 0.000 1.022 263 V CB -0.633 31.148 31.823 -0.069 0.000 0.640 263 V HN 0.241 nan 8.190 nan 0.000 0.445 264 V N 0.591 120.516 119.914 0.018 0.000 2.453 264 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 264 V C 2.419 178.535 176.094 0.036 0.000 1.048 264 V CA 1.997 64.305 62.300 0.013 0.000 1.049 264 V CB -1.071 30.742 31.823 -0.017 0.000 0.672 264 V HN 0.665 nan 8.190 nan 0.000 0.457 265 N N 1.015 119.736 118.700 0.034 0.000 2.132 265 N HA -0.226 4.513 4.740 -0.000 0.000 0.191 265 N C 1.879 177.405 175.510 0.027 0.000 1.015 265 N CA 2.590 55.654 53.050 0.024 0.000 0.864 265 N CB -0.058 38.439 38.487 0.018 0.000 1.006 265 N HN 0.726 nan 8.380 nan 0.000 0.430 266 T N -0.939 113.645 114.554 0.051 0.000 2.818 266 T HA 0.015 4.364 4.350 -0.000 0.000 0.246 266 T C 1.492 176.233 174.700 0.068 0.000 1.036 266 T CA 0.444 62.572 62.100 0.046 0.000 1.160 266 T CB -0.647 68.249 68.868 0.045 0.000 0.869 266 T HN 0.298 nan 8.240 nan 0.000 0.419 267 M N 1.784 121.453 119.600 0.115 0.000 2.987 267 M HA 0.504 4.984 4.480 -0.000 0.000 0.331 267 M C 0.548 176.889 176.300 0.069 0.000 1.766 267 M CA 0.719 56.088 55.300 0.115 0.000 1.445 267 M CB -1.296 31.416 32.600 0.187 0.000 1.925 267 M HN 0.619 nan 8.290 nan 0.000 0.467 268 R N 0.878 121.406 120.500 0.046 0.000 3.157 268 R HA 0.082 4.422 4.340 -0.000 0.000 0.259 268 R C -0.331 175.982 176.300 0.022 0.000 1.018 268 R CA 0.805 56.921 56.100 0.027 0.000 0.678 268 R CB -3.035 27.282 30.300 0.027 0.000 1.225 268 R HN 1.644 nan 8.270 nan 0.000 0.408 269 G N -1.132 107.680 108.800 0.019 0.000 2.695 269 G HA2 0.715 4.675 3.960 -0.000 0.000 0.290 269 G HA3 0.715 4.675 3.960 -0.000 0.000 0.290 269 G C 0.916 175.819 174.900 0.005 0.000 1.410 269 G CA -0.267 44.841 45.100 0.012 0.000 0.844 269 G HN 0.524 nan 8.290 nan 0.000 0.478 270 I N -0.279 120.292 120.570 0.001 0.000 2.126 270 I HA -0.153 4.017 4.170 -0.000 0.000 0.200 270 I C 1.090 177.204 176.117 -0.005 0.000 1.014 270 I CA 0.955 62.254 61.300 -0.002 0.000 1.339 270 I CB -0.495 37.502 38.000 -0.005 0.000 1.086 270 I HN 0.060 nan 8.210 nan 0.000 0.393 271 V N 2.028 121.936 119.914 -0.010 0.000 2.529 271 V HA -0.014 4.106 4.120 -0.000 0.000 0.292 271 V C 0.197 176.278 176.094 -0.022 0.000 1.028 271 V CA 0.079 62.369 62.300 -0.016 0.000 1.074 271 V CB 0.274 32.083 31.823 -0.024 0.000 0.958 271 V HN 0.299 nan 8.190 nan 0.000 0.481 272 K N 4.959 125.344 120.400 -0.026 0.000 2.449 272 K HA 0.638 4.958 4.320 -0.000 0.000 0.257 272 K C -0.690 175.863 176.600 -0.079 0.000 0.989 272 K CA -0.438 55.823 56.287 -0.044 0.000 0.916 272 K CB 1.372 33.858 32.500 -0.023 0.000 1.136 272 K HN 0.678 nan 8.250 nan 0.000 0.439 273 V N -0.320 119.505 119.914 -0.149 0.000 3.069 273 V HA 1.006 5.126 4.120 -0.000 0.000 0.312 273 V C -1.276 174.529 176.094 -0.481 0.000 1.369 273 V CA -0.711 61.465 62.300 -0.206 0.000 1.047 273 V CB 1.425 33.172 31.823 -0.125 0.000 1.098 273 V HN 0.727 nan 8.190 nan 0.000 0.473 274 A N -0.700 121.839 122.820 -0.468 0.000 2.586 274 A HA 1.077 5.397 4.320 -0.000 0.000 0.290 274 A C -0.672 176.780 177.584 -0.221 0.000 1.086 274 A CA -0.303 51.257 52.037 -0.795 0.000 0.665 274 A CB 0.987 19.420 19.000 -0.946 0.000 1.279 274 A HN 2.753 nan 8.150 nan 0.000 0.423 275 A N -0.551 122.288 122.820 0.032 0.000 2.594 275 A HA 0.871 5.191 4.320 -0.000 0.000 0.295 275 A C -0.783 176.969 177.584 0.281 0.000 1.071 275 A CA 0.019 52.155 52.037 0.166 0.000 0.685 275 A CB 1.271 20.352 19.000 0.134 0.000 1.285 275 A HN 2.382 nan 8.150 nan 0.000 0.405 276 V N -0.863 119.187 119.914 0.225 0.000 2.876 276 V HA 0.657 4.777 4.120 -0.000 0.000 0.312 276 V C -0.244 175.955 176.094 0.175 0.000 1.085 276 V CA -1.224 61.213 62.300 0.228 0.000 0.945 276 V CB 1.364 33.346 31.823 0.264 0.000 1.017 276 V HN 0.955 nan 8.190 nan 0.000 0.428 277 K N 1.955 122.434 120.400 0.132 0.000 2.339 277 K HA 0.469 4.789 4.320 -0.000 0.000 0.260 277 K C 0.400 177.012 176.600 0.020 0.000 0.989 277 K CA 0.600 56.930 56.287 0.071 0.000 0.888 277 K CB 0.305 32.834 32.500 0.048 0.000 0.983 277 K HN 1.138 nan 8.250 nan 0.000 0.515 278 A N 2.625 125.421 122.820 -0.040 0.000 2.310 278 A HA 0.358 4.678 4.320 -0.000 0.000 0.299 278 A C -2.150 175.287 177.584 -0.244 0.000 1.147 278 A CA -1.614 50.331 52.037 -0.153 0.000 0.818 278 A CB 0.086 19.034 19.000 -0.088 0.000 1.096 278 A HN 0.481 nan 8.150 nan 0.000 0.495 279 P HA 0.345 nan 4.420 nan 0.000 0.269 279 P C 0.503 177.703 177.300 -0.167 0.000 1.209 279 P CA 1.351 64.195 63.100 -0.425 0.000 0.776 279 P CB 0.539 31.808 31.700 -0.718 0.000 0.876 280 G N 2.146 110.922 108.800 -0.039 0.000 2.801 280 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.686 280 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.686 280 G C -0.796 174.184 174.900 0.135 0.000 1.507 280 G CA -0.437 44.681 45.100 0.030 0.000 0.980 280 G HN 0.604 nan 8.290 nan 0.000 0.589 281 F N 0.677 120.607 119.950 -0.032 0.000 2.493 281 F HA 0.805 5.332 4.527 -0.000 0.000 0.329 281 F C 1.011 176.805 175.800 -0.010 0.000 1.126 281 F CA -0.377 57.612 58.000 -0.019 0.000 0.937 281 F CB 1.208 40.204 39.000 -0.006 0.000 1.146 281 F HN 2.269 nan 8.300 nan 0.000 0.442 282 G N 3.031 111.876 108.800 0.076 0.000 2.531 282 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.274 282 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.274 282 G C 0.599 175.463 174.900 -0.059 0.000 1.159 282 G CA 0.425 45.531 45.100 0.009 0.000 0.969 282 G HN 0.674 nan 8.290 nan 0.000 0.554 283 D N 0.486 120.839 120.400 -0.078 0.000 2.154 283 D HA -0.179 4.461 4.640 -0.000 0.000 0.190 283 D C 2.468 178.702 176.300 -0.109 0.000 1.003 283 D CA 1.956 55.907 54.000 -0.082 0.000 0.849 283 D CB -0.200 40.551 40.800 -0.082 0.000 0.942 283 D HN 0.345 nan 8.370 nan 0.000 0.446 284 R N 0.713 121.108 120.500 -0.175 0.000 2.080 284 R HA -0.138 4.202 4.340 -0.000 0.000 0.236 284 R C 2.358 178.583 176.300 -0.125 0.000 1.137 284 R CA 1.704 57.696 56.100 -0.180 0.000 0.943 284 R CB -0.510 29.625 30.300 -0.276 0.000 0.846 284 R HN 0.379 nan 8.270 nan 0.000 0.431 285 R N 0.851 121.288 120.500 -0.105 0.000 2.133 285 R HA -0.185 4.155 4.340 -0.000 0.000 0.247 285 R C 1.494 177.757 176.300 -0.062 0.000 1.151 285 R CA 1.488 57.543 56.100 -0.075 0.000 0.971 285 R CB -0.431 29.845 30.300 -0.040 0.000 0.866 285 R HN 0.005 nan 8.270 nan 0.000 0.447 286 K N 1.228 121.596 120.400 -0.054 0.000 1.981 286 K HA -0.215 4.105 4.320 -0.000 0.000 0.228 286 K C 2.333 178.909 176.600 -0.040 0.000 1.050 286 K CA 1.995 58.258 56.287 -0.040 0.000 1.001 286 K CB -1.071 31.406 32.500 -0.038 0.000 0.738 286 K HN 0.363 nan 8.250 nan 0.000 0.447 287 A N 2.173 124.965 122.820 -0.047 0.000 1.869 287 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 287 A C 2.317 179.877 177.584 -0.040 0.000 1.203 287 A CA 2.653 54.665 52.037 -0.042 0.000 0.638 287 A CB -0.585 18.384 19.000 -0.051 0.000 0.831 287 A HN 0.309 nan 8.150 nan 0.000 0.450 288 M N -1.492 118.074 119.600 -0.056 0.000 2.758 288 M HA -0.283 4.197 4.480 -0.000 0.000 0.262 288 M C 2.221 178.497 176.300 -0.040 0.000 1.052 288 M CA 2.288 57.552 55.300 -0.059 0.000 1.059 288 M CB -1.562 30.980 32.600 -0.097 0.000 1.265 288 M HN 0.479 nan 8.290 nan 0.000 0.486 289 L N 0.466 121.662 121.223 -0.045 0.000 2.079 289 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 289 L C 2.538 179.409 176.870 0.002 0.000 1.081 289 L CA 2.003 56.831 54.840 -0.020 0.000 0.752 289 L CB -0.857 41.190 42.059 -0.020 0.000 0.896 289 L HN 0.383 nan 8.230 nan 0.000 0.433 290 Q N -0.014 119.782 119.800 -0.006 0.000 2.061 290 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 290 Q C 1.750 177.755 176.000 0.008 0.000 0.984 290 Q CA 2.399 58.203 55.803 0.001 0.000 0.846 290 Q CB -0.431 28.303 28.738 -0.007 0.000 0.902 290 Q HN 0.618 nan 8.270 nan 0.000 0.421 291 D N -0.331 120.073 120.400 0.006 0.000 2.123 291 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 291 D C 1.774 178.093 176.300 0.032 0.000 0.992 291 D CA 1.560 55.569 54.000 0.015 0.000 0.833 291 D CB -0.184 40.624 40.800 0.013 0.000 0.954 291 D HN 0.375 nan 8.370 nan 0.000 0.455 292 I N 0.854 121.451 120.570 0.046 0.000 2.163 292 I HA -0.261 3.909 4.170 -0.000 0.000 0.240 292 I C 2.486 178.634 176.117 0.052 0.000 1.081 292 I CA 0.970 62.312 61.300 0.071 0.000 1.353 292 I CB -0.436 37.627 38.000 0.106 0.000 1.054 292 I HN -0.022 nan 8.210 nan 0.000 0.407 293 A N 1.016 123.860 122.820 0.041 0.000 1.859 293 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 293 A C 2.392 179.992 177.584 0.027 0.000 1.209 293 A CA 3.059 55.117 52.037 0.034 0.000 0.639 293 A CB -1.430 17.585 19.000 0.025 0.000 0.835 293 A HN 0.424 nan 8.150 nan 0.000 0.450 294 T N 0.105 114.672 114.554 0.021 0.000 2.592 294 T HA -0.269 4.081 4.350 -0.000 0.000 0.267 294 T C 1.829 176.539 174.700 0.016 0.000 1.060 294 T CA 1.916 64.025 62.100 0.016 0.000 1.167 294 T CB -0.660 68.215 68.868 0.012 0.000 0.863 294 T HN 0.399 nan 8.240 nan 0.000 0.431 295 L N 1.550 122.785 121.223 0.020 0.000 2.043 295 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 295 L C 2.552 179.431 176.870 0.014 0.000 1.075 295 L CA 2.550 57.400 54.840 0.017 0.000 0.752 295 L CB -1.219 40.855 42.059 0.024 0.000 0.891 295 L HN 0.547 nan 8.230 nan 0.000 0.432 296 T N -4.057 110.509 114.554 0.021 0.000 3.065 296 T HA 0.299 4.649 4.350 -0.000 0.000 0.252 296 T C 1.382 176.092 174.700 0.016 0.000 1.099 296 T CA 0.343 62.453 62.100 0.016 0.000 1.063 296 T CB -0.331 68.554 68.868 0.028 0.000 0.948 296 T HN 0.747 nan 8.240 nan 0.000 0.506 297 G N 0.696 109.508 108.800 0.019 0.000 2.182 297 G HA2 0.047 4.007 3.960 -0.000 0.000 0.248 297 G HA3 0.047 4.007 3.960 -0.000 0.000 0.248 297 G C 0.265 175.183 174.900 0.030 0.000 1.042 297 G CA -0.214 44.898 45.100 0.020 0.000 0.775 297 G HN 1.025 nan 8.290 nan 0.000 0.501 298 G N -1.397 107.424 108.800 0.036 0.000 2.509 298 G HA2 0.736 4.696 3.960 -0.000 0.000 0.328 298 G HA3 0.736 4.696 3.960 -0.000 0.000 0.328 298 G C -0.226 174.695 174.900 0.035 0.000 1.194 298 G CA 0.138 45.265 45.100 0.045 0.000 0.967 298 G HN 0.517 nan 8.290 nan 0.000 0.488 299 T N 0.254 114.829 114.554 0.035 0.000 2.829 299 T HA 0.444 4.794 4.350 -0.000 0.000 0.282 299 T C 0.319 175.033 174.700 0.024 0.000 0.990 299 T CA -0.297 61.819 62.100 0.025 0.000 1.028 299 T CB 1.426 70.307 68.868 0.021 0.000 0.951 299 T HN 0.744 nan 8.240 nan 0.000 0.460 300 V N 1.650 121.575 119.914 0.018 0.000 2.385 300 V HA 0.489 4.608 4.120 -0.000 0.000 0.269 300 V C -0.188 175.913 176.094 0.012 0.000 1.043 300 V CA -0.857 61.452 62.300 0.015 0.000 0.906 300 V CB -0.140 31.689 31.823 0.011 0.000 0.995 300 V HN 0.649 nan 8.190 nan 0.000 0.467 301 I N 4.768 125.346 120.570 0.013 0.000 2.243 301 I HA 0.238 4.407 4.170 -0.000 0.000 0.297 301 I C 0.876 176.998 176.117 0.008 0.000 1.161 301 I CA 0.858 62.163 61.300 0.009 0.000 1.298 301 I CB -0.016 37.990 38.000 0.010 0.000 1.475 301 I HN 0.670 nan 8.210 nan 0.000 0.561 302 S N 5.049 120.752 115.700 0.005 0.000 2.475 302 S HA 0.236 4.706 4.470 -0.000 0.000 0.281 302 S C 1.164 175.766 174.600 0.004 0.000 1.198 302 S CA -0.670 57.532 58.200 0.004 0.000 1.063 302 S CB 1.187 64.388 63.200 0.002 0.000 0.972 302 S HN 0.443 nan 8.310 nan 0.000 0.486 303 E N 2.191 122.394 120.200 0.004 0.000 2.347 303 E HA -0.080 4.270 4.350 -0.000 0.000 0.196 303 E C 0.516 177.118 176.600 0.003 0.000 1.008 303 E CA 0.636 57.038 56.400 0.004 0.000 0.852 303 E CB 0.039 29.742 29.700 0.005 0.000 0.783 303 E HN 0.708 nan 8.360 nan 0.000 0.505 304 E N 0.107 120.308 120.200 0.003 0.000 2.416 304 E HA 0.110 4.460 4.350 -0.000 0.000 0.189 304 E C 0.971 177.572 176.600 0.001 0.000 1.091 304 E CA 0.022 56.422 56.400 0.002 0.000 0.889 304 E CB 0.214 29.915 29.700 0.001 0.000 1.015 304 E HN 0.220 nan 8.360 nan 0.000 0.479 305 I N -1.557 119.013 120.570 0.002 0.000 4.541 305 I HA 0.177 4.346 4.170 -0.000 0.000 0.337 305 I C 1.315 177.433 176.117 0.002 0.000 1.338 305 I CA -0.028 61.273 61.300 0.001 0.000 1.244 305 I CB 1.110 39.111 38.000 0.002 0.000 1.417 305 I HN 0.223 nan 8.210 nan 0.000 0.501 306 G N 2.077 110.878 108.800 0.002 0.000 2.377 306 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.250 306 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.250 306 G C 0.542 175.443 174.900 0.002 0.000 1.039 306 G CA 0.161 45.262 45.100 0.002 0.000 0.625 306 G HN 0.314 nan 8.290 nan 0.000 0.526 307 M N 1.455 121.056 119.600 0.002 0.000 2.336 307 M HA 0.286 4.766 4.480 -0.000 0.000 0.371 307 M C 0.573 176.874 176.300 0.002 0.000 1.542 307 M CA 0.951 56.252 55.300 0.002 0.000 0.959 307 M CB 0.319 32.921 32.600 0.003 0.000 2.033 307 M HN 0.449 nan 8.290 nan 0.000 0.472 308 E N 2.494 122.694 120.200 0.001 0.000 2.281 308 E HA 0.346 4.696 4.350 -0.000 0.000 0.257 308 E C 0.316 176.916 176.600 0.000 0.000 0.971 308 E CA -0.699 55.702 56.400 0.001 0.000 0.839 308 E CB 1.271 30.971 29.700 0.000 0.000 1.238 308 E HN 0.730 nan 8.360 nan 0.000 0.412 309 L N 0.858 122.081 121.223 0.000 0.000 2.109 309 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 309 L C 2.074 178.940 176.870 -0.007 0.000 1.086 309 L CA 1.077 55.915 54.840 -0.002 0.000 0.760 309 L CB -0.414 41.645 42.059 -0.000 0.000 0.910 309 L HN 0.612 nan 8.230 nan 0.000 0.437 310 E N 0.605 120.801 120.200 -0.007 0.000 2.204 310 E HA -0.169 4.180 4.350 -0.000 0.000 0.195 310 E C 0.474 177.067 176.600 -0.010 0.000 0.990 310 E CA 0.864 57.258 56.400 -0.010 0.000 0.821 310 E CB -0.009 29.687 29.700 -0.008 0.000 0.750 310 E HN 0.238 nan 8.360 nan 0.000 0.477 311 K N 0.801 121.197 120.400 -0.007 0.000 2.758 311 K HA 0.365 4.685 4.320 -0.000 0.000 0.250 311 K C -1.005 175.592 176.600 -0.006 0.000 1.268 311 K CA -0.107 56.176 56.287 -0.006 0.000 1.228 311 K CB 1.212 33.709 32.500 -0.003 0.000 1.715 311 K HN 0.046 nan 8.250 nan 0.000 0.334 312 A N 0.097 122.911 122.820 -0.011 0.000 2.532 312 A HA 0.628 4.948 4.320 -0.000 0.000 0.296 312 A C -0.659 176.913 177.584 -0.021 0.000 1.058 312 A CA -0.719 51.312 52.037 -0.011 0.000 0.729 312 A CB 1.152 20.148 19.000 -0.008 0.000 1.285 312 A HN 0.228 nan 8.150 nan 0.000 0.396 313 T N 1.858 116.401 114.554 -0.019 0.000 2.926 313 T HA 0.459 4.808 4.350 -0.000 0.000 0.289 313 T C 1.158 175.842 174.700 -0.028 0.000 1.054 313 T CA -0.562 61.520 62.100 -0.031 0.000 1.015 313 T CB 0.981 69.836 68.868 -0.021 0.000 1.167 313 T HN 0.457 nan 8.240 nan 0.000 0.526 314 L N 1.167 122.358 121.223 -0.053 0.000 2.211 314 L HA -0.178 4.161 4.340 -0.000 0.000 0.216 314 L C 2.479 179.379 176.870 0.050 0.000 1.092 314 L CA 1.702 56.523 54.840 -0.031 0.000 0.767 314 L CB -1.099 40.925 42.059 -0.059 0.000 0.894 314 L HN 0.818 nan 8.230 nan 0.000 0.437 315 E N -1.240 118.978 120.200 0.031 0.000 2.472 315 E HA -0.182 4.168 4.350 -0.000 0.000 0.200 315 E C 0.593 177.215 176.600 0.037 0.000 1.046 315 E CA 1.160 57.584 56.400 0.039 0.000 0.871 315 E CB -0.223 29.491 29.700 0.023 0.000 0.806 315 E HN 0.565 nan 8.360 nan 0.000 0.533 316 D N 0.217 120.638 120.400 0.033 0.000 2.417 316 D HA 0.109 4.749 4.640 -0.000 0.000 0.207 316 D C 0.215 176.544 176.300 0.047 0.000 1.075 316 D CA -0.065 53.953 54.000 0.031 0.000 0.851 316 D CB 0.432 41.242 40.800 0.017 0.000 0.976 316 D HN 0.104 nan 8.370 nan 0.000 0.505 317 L N 0.668 121.934 121.223 0.072 0.000 2.454 317 L HA 0.497 4.836 4.340 -0.000 0.000 0.256 317 L C 1.314 178.252 176.870 0.112 0.000 1.136 317 L CA -0.327 54.577 54.840 0.106 0.000 0.804 317 L CB 0.782 42.941 42.059 0.166 0.000 1.181 317 L HN -0.146 nan 8.230 nan 0.000 0.469 318 G N -0.613 108.251 108.800 0.106 0.000 2.667 318 G HA2 0.721 4.681 3.960 -0.000 0.000 0.310 318 G HA3 0.721 4.681 3.960 -0.000 0.000 0.310 318 G C -1.349 173.582 174.900 0.051 0.000 1.259 318 G CA -0.339 44.803 45.100 0.069 0.000 1.019 318 G HN 0.462 nan 8.290 nan 0.000 0.496 319 Q N -1.469 118.330 119.800 -0.000 0.000 2.320 319 Q HA 0.580 4.920 4.340 -0.000 0.000 0.272 319 Q C -1.183 174.783 176.000 -0.057 0.000 1.023 319 Q CA -0.751 55.014 55.803 -0.063 0.000 0.855 319 Q CB 2.624 31.280 28.738 -0.136 0.000 1.367 319 Q HN 0.880 nan 8.270 nan 0.000 0.406 320 A N 1.220 123.997 122.820 -0.070 0.000 2.475 320 A HA 0.450 4.770 4.320 -0.000 0.000 0.301 320 A C -0.232 177.307 177.584 -0.075 0.000 1.059 320 A CA -0.676 51.327 52.037 -0.057 0.000 0.710 320 A CB 1.308 20.285 19.000 -0.039 0.000 1.288 320 A HN 0.758 nan 8.150 nan 0.000 0.408 321 K N 0.064 120.425 120.400 -0.065 0.000 2.362 321 K HA 0.004 4.324 4.320 -0.000 0.000 0.200 321 K C 0.546 177.111 176.600 -0.059 0.000 1.046 321 K CA 1.094 57.341 56.287 -0.067 0.000 0.952 321 K CB 0.061 32.529 32.500 -0.054 0.000 0.753 321 K HN 0.586 nan 8.250 nan 0.000 0.466 322 R N -1.194 119.275 120.500 -0.051 0.000 2.747 322 R HA 0.487 4.827 4.340 -0.000 0.000 0.272 322 R C -1.953 174.322 176.300 -0.042 0.000 1.032 322 R CA -0.777 55.297 56.100 -0.044 0.000 0.896 322 R CB 2.522 32.800 30.300 -0.038 0.000 1.253 322 R HN -0.111 nan 8.270 nan 0.000 0.461 323 V N 1.138 121.030 119.914 -0.037 0.000 2.915 323 V HA 0.470 4.590 4.120 -0.000 0.000 0.273 323 V C -1.898 174.180 176.094 -0.028 0.000 1.538 323 V CA -0.571 61.704 62.300 -0.041 0.000 0.946 323 V CB 1.937 33.739 31.823 -0.035 0.000 1.183 323 V HN 0.614 nan 8.190 nan 0.000 0.446 324 V N 4.883 124.777 119.914 -0.034 0.000 2.841 324 V HA 0.907 5.027 4.120 -0.000 0.000 0.310 324 V C -1.067 175.028 176.094 0.001 0.000 1.090 324 V CA -0.652 61.645 62.300 -0.006 0.000 0.930 324 V CB 1.857 33.677 31.823 -0.006 0.000 1.014 324 V HN 0.786 nan 8.190 nan 0.000 0.425 325 I N 4.526 125.135 120.570 0.065 0.000 2.785 325 I HA 0.662 4.832 4.170 -0.000 0.000 0.302 325 I C -0.045 176.182 176.117 0.183 0.000 1.069 325 I CA -0.301 61.064 61.300 0.109 0.000 1.045 325 I CB 2.247 40.364 38.000 0.194 0.000 1.236 325 I HN 1.023 nan 8.210 nan 0.000 0.429 326 N N 3.278 122.063 118.700 0.142 0.000 3.167 326 N HA 0.291 5.031 4.740 -0.000 0.000 0.323 326 N C 0.539 176.014 175.510 -0.058 0.000 1.478 326 N CA -0.767 52.381 53.050 0.164 0.000 0.753 326 N CB 1.041 39.576 38.487 0.079 0.000 1.721 326 N HN 0.538 nan 8.380 nan 0.000 0.618 327 K N -0.494 119.858 120.400 -0.079 0.000 2.207 327 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 327 K C -0.477 175.825 176.600 -0.497 0.000 1.046 327 K CA 2.724 58.747 56.287 -0.441 0.000 0.929 327 K CB -0.277 32.168 32.500 -0.091 0.000 0.720 327 K HN 0.758 nan 8.250 nan 0.000 0.463 328 D N -1.965 118.296 120.400 -0.232 0.000 2.848 328 D HA 0.092 4.732 4.640 -0.000 0.000 0.303 328 D C -0.933 175.345 176.300 -0.036 0.000 1.665 328 D CA -0.421 53.497 54.000 -0.137 0.000 0.807 328 D CB 0.301 41.050 40.800 -0.085 0.000 1.288 328 D HN -0.088 nan 8.370 nan 0.000 0.441 329 T N -0.041 114.495 114.554 -0.030 0.000 3.105 329 T HA 0.571 4.921 4.350 -0.000 0.000 0.321 329 T C -0.973 173.696 174.700 -0.051 0.000 1.135 329 T CA -0.352 61.745 62.100 -0.005 0.000 1.053 329 T CB 2.226 71.091 68.868 -0.006 0.000 1.133 329 T HN -0.085 nan 8.240 nan 0.000 0.463 330 T N 2.120 116.577 114.554 -0.162 0.000 2.856 330 T HA 0.781 5.130 4.350 -0.000 0.000 0.283 330 T C -0.506 173.895 174.700 -0.499 0.000 1.008 330 T CA -0.640 61.271 62.100 -0.314 0.000 0.997 330 T CB 1.784 70.423 68.868 -0.381 0.000 0.992 330 T HN 0.640 nan 8.240 nan 0.000 0.454 331 T N 2.730 117.094 114.554 -0.317 0.000 3.172 331 T HA 0.573 4.923 4.350 -0.000 0.000 0.320 331 T C -0.938 173.660 174.700 -0.169 0.000 1.085 331 T CA -0.851 61.090 62.100 -0.265 0.000 1.052 331 T CB 0.238 69.007 68.868 -0.164 0.000 1.107 331 T HN 0.633 nan 8.240 nan 0.000 0.458 332 I N 2.981 123.459 120.570 -0.152 0.000 2.498 332 I HA 0.723 4.893 4.170 -0.000 0.000 0.301 332 I C -0.888 175.192 176.117 -0.061 0.000 0.984 332 I CA -1.202 60.047 61.300 -0.086 0.000 1.204 332 I CB 1.559 39.523 38.000 -0.060 0.000 1.362 332 I HN 0.551 nan 8.210 nan 0.000 0.471 333 I N 4.079 124.620 120.570 -0.049 0.000 2.389 333 I HA 0.289 4.459 4.170 -0.000 0.000 0.288 333 I C -0.851 175.245 176.117 -0.036 0.000 0.999 333 I CA -0.381 60.894 61.300 -0.041 0.000 1.129 333 I CB 1.417 39.393 38.000 -0.040 0.000 1.288 333 I HN 0.729 nan 8.210 nan 0.000 0.444 334 D N 5.114 125.496 120.400 -0.030 0.000 3.908 334 D HA -0.118 4.522 4.640 -0.000 0.000 0.237 334 D C -0.111 176.171 176.300 -0.029 0.000 1.091 334 D CA 0.842 54.825 54.000 -0.028 0.000 1.147 334 D CB -0.089 40.693 40.800 -0.031 0.000 0.857 334 D HN 0.810 nan 8.370 nan 0.000 0.410 335 G N 1.558 110.346 108.800 -0.020 0.000 2.372 335 G HA2 0.450 4.410 3.960 -0.000 0.000 0.283 335 G HA3 0.450 4.410 3.960 -0.000 0.000 0.283 335 G C 1.403 176.293 174.900 -0.017 0.000 1.177 335 G CA -0.350 44.740 45.100 -0.016 0.000 0.842 335 G HN 0.371 nan 8.290 nan 0.000 0.503 336 V N 2.567 122.469 119.914 -0.021 0.000 3.078 336 V HA -0.018 4.102 4.120 -0.000 0.000 0.265 336 V C 2.157 178.246 176.094 -0.009 0.000 1.122 336 V CA 0.811 63.099 62.300 -0.020 0.000 1.141 336 V CB -1.314 30.493 31.823 -0.027 0.000 0.735 336 V HN 0.811 nan 8.190 nan 0.000 0.498 337 G N 1.489 110.288 108.800 -0.003 0.000 2.138 337 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.244 337 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.244 337 G C 0.066 174.966 174.900 -0.000 0.000 1.166 337 G CA -0.177 44.924 45.100 0.002 0.000 0.902 337 G HN 0.356 nan 8.290 nan 0.000 0.460 338 E N 2.396 122.596 120.200 0.001 0.000 2.417 338 E HA -0.017 4.333 4.350 -0.000 0.000 0.261 338 E C 1.271 177.871 176.600 -0.000 0.000 1.000 338 E CA -0.219 56.181 56.400 -0.000 0.000 0.919 338 E CB 0.855 30.555 29.700 0.001 0.000 0.955 338 E HN 0.564 nan 8.360 nan 0.000 0.455 339 E N 2.609 122.808 120.200 -0.002 0.000 2.097 339 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 339 E C 1.762 178.362 176.600 -0.001 0.000 1.000 339 E CA 1.543 57.941 56.400 -0.002 0.000 0.804 339 E CB -0.272 29.426 29.700 -0.003 0.000 0.740 339 E HN 0.612 nan 8.360 nan 0.000 0.454 340 A N 1.673 124.492 122.820 -0.001 0.000 1.892 340 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 340 A C 2.468 180.052 177.584 0.000 0.000 1.188 340 A CA 2.728 54.765 52.037 -0.001 0.000 0.631 340 A CB -0.814 18.186 19.000 -0.000 0.000 0.822 340 A HN 0.310 nan 8.150 nan 0.000 0.447 341 A N -0.066 122.755 122.820 0.001 0.000 1.835 341 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 341 A C 2.140 179.725 177.584 0.002 0.000 1.199 341 A CA 1.558 53.596 52.037 0.002 0.000 0.615 341 A CB -0.773 18.229 19.000 0.004 0.000 0.838 341 A HN 0.508 nan 8.150 nan 0.000 0.444 342 I N -0.443 120.128 120.570 0.002 0.000 2.039 342 I HA -0.351 3.819 4.170 -0.000 0.000 0.233 342 I C 2.752 178.869 176.117 0.001 0.000 1.040 342 I CA 1.712 63.014 61.300 0.003 0.000 1.308 342 I CB -0.731 37.270 38.000 0.002 0.000 1.035 342 I HN 0.350 nan 8.210 nan 0.000 0.392 343 Q N 0.840 120.640 119.800 -0.000 0.000 2.197 343 Q HA -0.228 4.112 4.340 -0.000 0.000 0.211 343 Q C 2.228 178.227 176.000 -0.001 0.000 0.993 343 Q CA 2.086 57.889 55.803 -0.001 0.000 0.883 343 Q CB -1.249 27.488 28.738 -0.002 0.000 0.916 343 Q HN 0.735 nan 8.270 nan 0.000 0.418 344 G N 0.731 109.530 108.800 -0.001 0.000 2.433 344 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.216 344 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.216 344 G C 1.608 176.507 174.900 -0.002 0.000 1.186 344 G CA 0.894 45.993 45.100 -0.001 0.000 0.779 344 G HN 0.300 nan 8.290 nan 0.000 0.543 345 R N 0.275 120.774 120.500 -0.001 0.000 2.154 345 R HA -0.090 4.250 4.340 -0.000 0.000 0.248 345 R C 2.568 178.865 176.300 -0.004 0.000 1.155 345 R CA 1.596 57.695 56.100 -0.002 0.000 0.979 345 R CB -0.833 29.467 30.300 0.000 0.000 0.869 345 R HN 0.276 nan 8.270 nan 0.000 0.452 346 V N 0.406 120.318 119.914 -0.003 0.000 2.237 346 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 346 V C 2.383 178.474 176.094 -0.006 0.000 1.046 346 V CA 2.013 64.310 62.300 -0.005 0.000 1.007 346 V CB -1.249 30.572 31.823 -0.003 0.000 0.638 346 V HN 0.544 nan 8.190 nan 0.000 0.445 347 A N -0.488 122.330 122.820 -0.005 0.000 1.915 347 A HA -0.396 3.924 4.320 -0.000 0.000 0.220 347 A C 2.148 179.728 177.584 -0.007 0.000 1.198 347 A CA 2.695 54.729 52.037 -0.005 0.000 0.647 347 A CB -0.710 18.287 19.000 -0.004 0.000 0.825 347 A HN 0.702 nan 8.150 nan 0.000 0.456 348 Q N -0.566 119.230 119.800 -0.007 0.000 1.956 348 Q HA -0.209 4.131 4.340 -0.000 0.000 0.208 348 Q C 2.179 178.172 176.000 -0.011 0.000 0.998 348 Q CA 1.904 57.702 55.803 -0.008 0.000 0.855 348 Q CB -0.490 28.243 28.738 -0.008 0.000 0.928 348 Q HN 0.753 nan 8.270 nan 0.000 0.418 349 I N 0.546 121.108 120.570 -0.013 0.000 2.087 349 I HA -0.369 3.801 4.170 -0.000 0.000 0.240 349 I C 2.509 178.616 176.117 -0.016 0.000 1.054 349 I CA 1.215 62.505 61.300 -0.017 0.000 1.311 349 I CB -0.556 37.434 38.000 -0.018 0.000 1.024 349 I HN 0.236 nan 8.210 nan 0.000 0.402 350 R N 0.626 121.119 120.500 -0.013 0.000 2.162 350 R HA -0.304 4.035 4.340 -0.000 0.000 0.245 350 R C 2.109 178.402 176.300 -0.011 0.000 1.129 350 R CA 2.081 58.175 56.100 -0.011 0.000 0.940 350 R CB -1.271 29.024 30.300 -0.008 0.000 0.875 350 R HN 0.585 nan 8.270 nan 0.000 0.437 351 Q N 0.883 120.677 119.800 -0.010 0.000 1.985 351 Q HA -0.246 4.093 4.340 -0.000 0.000 0.207 351 Q C 2.121 178.114 176.000 -0.011 0.000 0.996 351 Q CA 2.151 57.949 55.803 -0.009 0.000 0.851 351 Q CB -0.116 28.617 28.738 -0.008 0.000 0.921 351 Q HN 0.469 nan 8.270 nan 0.000 0.418 352 Q N -0.081 119.710 119.800 -0.014 0.000 2.242 352 Q HA -0.220 4.119 4.340 -0.000 0.000 0.211 352 Q C 2.033 178.022 176.000 -0.019 0.000 0.992 352 Q CA 1.744 57.537 55.803 -0.017 0.000 0.889 352 Q CB -0.377 28.348 28.738 -0.022 0.000 0.913 352 Q HN 0.559 nan 8.270 nan 0.000 0.422 353 I N 1.341 121.899 120.570 -0.019 0.000 2.916 353 I HA -0.235 3.935 4.170 -0.000 0.000 0.267 353 I C 2.429 178.538 176.117 -0.013 0.000 1.263 353 I CA 0.877 62.166 61.300 -0.019 0.000 1.471 353 I CB -0.648 37.341 38.000 -0.018 0.000 1.089 353 I HN 0.346 nan 8.210 nan 0.000 0.468 354 E N 1.577 121.771 120.200 -0.010 0.000 2.097 354 E HA -0.302 4.048 4.350 -0.000 0.000 0.196 354 E C 1.618 178.215 176.600 -0.006 0.000 1.000 354 E CA 1.563 57.959 56.400 -0.007 0.000 0.804 354 E CB -0.360 29.336 29.700 -0.006 0.000 0.740 354 E HN 0.426 nan 8.360 nan 0.000 0.454 355 E N 1.338 121.533 120.200 -0.007 0.000 2.086 355 E HA -0.185 4.165 4.350 -0.000 0.000 0.205 355 E C 1.397 177.996 176.600 -0.002 0.000 1.027 355 E CA 2.016 58.413 56.400 -0.005 0.000 0.830 355 E CB -0.585 29.110 29.700 -0.007 0.000 0.751 355 E HN 0.546 nan 8.360 nan 0.000 0.456 356 A N -0.622 122.196 122.820 -0.003 0.000 2.798 356 A HA -0.305 4.015 4.320 -0.000 0.000 0.282 356 A C 1.427 179.016 177.584 0.008 0.000 1.464 356 A CA 1.411 53.449 52.037 0.001 0.000 0.844 356 A CB -2.483 16.518 19.000 0.002 0.000 1.006 356 A HN 0.287 nan 8.150 nan 0.000 0.577 357 T N -0.731 113.828 114.554 0.008 0.000 3.098 357 T HA 0.265 4.615 4.350 -0.000 0.000 0.266 357 T C 0.712 175.427 174.700 0.025 0.000 1.145 357 T CA 1.552 63.660 62.100 0.014 0.000 1.092 357 T CB -0.198 68.677 68.868 0.012 0.000 0.908 357 T HN 1.484 nan 8.240 nan 0.000 0.526 358 S N -0.562 115.157 115.700 0.032 0.000 2.578 358 S HA 0.251 4.721 4.470 -0.000 0.000 0.272 358 S C -1.308 173.328 174.600 0.060 0.000 1.145 358 S CA -0.766 57.467 58.200 0.055 0.000 0.835 358 S CB 1.245 64.499 63.200 0.090 0.000 1.104 358 S HN 0.018 nan 8.310 nan 0.000 0.458 359 D N 1.031 121.477 120.400 0.077 0.000 2.340 359 D HA 0.172 4.812 4.640 -0.000 0.000 0.220 359 D C 0.607 176.984 176.300 0.128 0.000 1.039 359 D CA 0.424 54.469 54.000 0.075 0.000 0.866 359 D CB 0.105 40.941 40.800 0.061 0.000 0.913 359 D HN 0.477 nan 8.370 nan 0.000 0.523 360 Y N 0.703 121.000 120.300 -0.005 0.000 2.506 360 Y HA 0.080 4.630 4.550 -0.000 0.000 0.287 360 Y C 1.153 177.044 175.900 -0.015 0.000 1.147 360 Y CA 0.763 58.859 58.100 -0.007 0.000 1.241 360 Y CB 0.107 38.563 38.460 -0.007 0.000 1.279 360 Y HN -0.228 nan 8.280 nan 0.000 0.527 361 D N 0.137 120.534 120.400 -0.005 0.000 2.097 361 D HA -0.127 4.513 4.640 -0.000 0.000 0.195 361 D C 2.156 178.398 176.300 -0.097 0.000 0.989 361 D CA 1.510 55.450 54.000 -0.101 0.000 0.827 361 D CB -0.199 40.594 40.800 -0.012 0.000 0.966 361 D HN 0.199 nan 8.370 nan 0.000 0.456 362 R N 0.450 120.926 120.500 -0.039 0.000 2.066 362 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 362 R C 2.148 178.419 176.300 -0.049 0.000 1.131 362 R CA 1.268 57.348 56.100 -0.033 0.000 0.955 362 R CB -0.045 30.252 30.300 -0.006 0.000 0.851 362 R HN 0.230 nan 8.270 nan 0.000 0.432 363 E N 0.360 120.532 120.200 -0.047 0.000 2.085 363 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 363 E C 1.681 178.220 176.600 -0.101 0.000 0.994 363 E CA 1.467 57.837 56.400 -0.049 0.000 0.801 363 E CB 0.140 29.833 29.700 -0.012 0.000 0.743 363 E HN 0.005 nan 8.360 nan 0.000 0.453 364 K N 0.618 120.899 120.400 -0.197 0.000 1.973 364 K HA -0.069 4.251 4.320 -0.000 0.000 0.210 364 K C 2.191 178.706 176.600 -0.141 0.000 1.045 364 K CA 1.277 57.424 56.287 -0.234 0.000 0.937 364 K CB -0.601 31.660 32.500 -0.398 0.000 0.721 364 K HN 0.132 nan 8.250 nan 0.000 0.438 365 L N 0.705 121.854 121.223 -0.123 0.000 2.064 365 L HA -0.337 4.002 4.340 -0.000 0.000 0.216 365 L C 2.597 179.432 176.870 -0.058 0.000 1.077 365 L CA 1.602 56.394 54.840 -0.080 0.000 0.766 365 L CB -0.605 41.416 42.059 -0.063 0.000 0.890 365 L HN 0.337 nan 8.230 nan 0.000 0.435 366 Q N 0.642 120.410 119.800 -0.053 0.000 1.985 366 Q HA -0.254 4.086 4.340 -0.000 0.000 0.207 366 Q C 1.942 177.925 176.000 -0.029 0.000 0.996 366 Q CA 2.184 57.966 55.803 -0.034 0.000 0.851 366 Q CB -0.254 28.467 28.738 -0.028 0.000 0.921 366 Q HN 0.466 nan 8.270 nan 0.000 0.418 367 E N -0.232 119.946 120.200 -0.036 0.000 2.086 367 E HA -0.304 4.046 4.350 -0.000 0.000 0.205 367 E C 2.152 178.743 176.600 -0.015 0.000 1.027 367 E CA 1.657 58.044 56.400 -0.022 0.000 0.830 367 E CB -0.306 29.376 29.700 -0.031 0.000 0.751 367 E HN 0.309 nan 8.360 nan 0.000 0.456 368 R N 0.472 120.955 120.500 -0.027 0.000 2.096 368 R HA -0.173 4.166 4.340 -0.000 0.000 0.240 368 R C 2.537 178.832 176.300 -0.007 0.000 1.139 368 R CA 1.617 57.707 56.100 -0.017 0.000 0.952 368 R CB -0.683 29.598 30.300 -0.032 0.000 0.854 368 R HN 0.074 nan 8.270 nan 0.000 0.436 369 V N 1.278 121.184 119.914 -0.013 0.000 2.252 369 V HA -0.338 3.782 4.120 -0.000 0.000 0.249 369 V C 2.515 178.608 176.094 -0.001 0.000 1.056 369 V CA 2.083 64.378 62.300 -0.008 0.000 1.022 369 V CB -1.029 30.787 31.823 -0.011 0.000 0.641 369 V HN 0.477 nan 8.190 nan 0.000 0.445 370 A N 0.035 122.854 122.820 -0.001 0.000 1.842 370 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 370 A C 2.267 179.858 177.584 0.010 0.000 1.206 370 A CA 2.306 54.346 52.037 0.004 0.000 0.630 370 A CB -0.709 18.294 19.000 0.005 0.000 0.839 370 A HN 0.432 nan 8.150 nan 0.000 0.447 371 K N -0.879 119.532 120.400 0.019 0.000 2.097 371 K HA -0.228 4.092 4.320 -0.000 0.000 0.214 371 K C 1.912 178.527 176.600 0.026 0.000 1.052 371 K CA 1.785 58.091 56.287 0.031 0.000 0.932 371 K CB -1.034 31.498 32.500 0.054 0.000 0.716 371 K HN 0.444 nan 8.250 nan 0.000 0.455 372 L N 0.315 121.550 121.223 0.021 0.000 1.982 372 L HA -0.043 4.297 4.340 -0.000 0.000 0.206 372 L C 2.246 179.122 176.870 0.009 0.000 1.078 372 L CA 2.147 56.997 54.840 0.017 0.000 0.749 372 L CB -0.892 41.175 42.059 0.013 0.000 0.894 372 L HN 0.175 nan 8.230 nan 0.000 0.436 373 A N -0.964 121.859 122.820 0.005 0.000 2.016 373 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 373 A C 2.223 179.808 177.584 0.001 0.000 1.162 373 A CA 1.009 53.047 52.037 0.002 0.000 0.662 373 A CB -1.368 17.631 19.000 -0.000 0.000 0.812 373 A HN 0.541 nan 8.150 nan 0.000 0.450 374 G N -0.347 108.455 108.800 0.003 0.000 2.450 374 G HA2 0.288 4.247 3.960 -0.000 0.000 0.220 374 G HA3 0.288 4.247 3.960 -0.000 0.000 0.220 374 G C 1.175 176.075 174.900 -0.001 0.000 1.130 374 G CA 0.789 45.889 45.100 0.001 0.000 0.760 374 G HN 1.701 nan 8.290 nan 0.000 0.557 375 G N -1.926 106.874 108.800 -0.001 0.000 2.888 375 G HA2 0.005 3.965 3.960 -0.000 0.000 0.441 375 G HA3 0.005 3.965 3.960 -0.000 0.000 0.441 375 G C -0.615 174.280 174.900 -0.009 0.000 1.461 375 G CA -0.322 44.775 45.100 -0.005 0.000 0.897 375 G HN 0.984 nan 8.290 nan 0.000 0.547 376 V N 1.023 120.929 119.914 -0.014 0.000 2.407 376 V HA 0.697 4.817 4.120 -0.000 0.000 0.291 376 V C 0.864 176.945 176.094 -0.021 0.000 1.018 376 V CA -0.073 62.215 62.300 -0.020 0.000 0.842 376 V CB 1.209 33.015 31.823 -0.028 0.000 0.996 376 V HN 1.970 nan 8.190 nan 0.000 0.426 377 A N 5.211 128.018 122.820 -0.021 0.000 2.409 377 A HA 0.700 5.020 4.320 -0.000 0.000 0.267 377 A C -0.055 177.514 177.584 -0.025 0.000 1.127 377 A CA -0.183 51.842 52.037 -0.021 0.000 0.795 377 A CB 0.618 19.607 19.000 -0.019 0.000 1.061 377 A HN 1.398 nan 8.150 nan 0.000 0.502 378 V N 1.194 121.094 119.914 -0.023 0.000 2.864 378 V HA 0.869 4.989 4.120 -0.000 0.000 0.314 378 V C -0.444 175.637 176.094 -0.023 0.000 1.073 378 V CA -0.910 61.375 62.300 -0.025 0.000 0.956 378 V CB 1.549 33.357 31.823 -0.026 0.000 1.023 378 V HN 0.704 nan 8.190 nan 0.000 0.435 379 I N 1.839 122.395 120.570 -0.024 0.000 2.730 379 I HA 0.578 4.748 4.170 -0.000 0.000 0.298 379 I C -0.531 175.575 176.117 -0.019 0.000 1.089 379 I CA -0.848 60.440 61.300 -0.020 0.000 1.041 379 I CB 2.680 40.667 38.000 -0.021 0.000 1.235 379 I HN 0.636 nan 8.210 nan 0.000 0.423 380 K N 4.456 124.846 120.400 -0.016 0.000 2.575 380 K HA 0.380 4.700 4.320 -0.000 0.000 0.236 380 K C -1.081 175.512 176.600 -0.013 0.000 0.976 380 K CA -0.616 55.662 56.287 -0.015 0.000 0.985 380 K CB 1.995 34.486 32.500 -0.015 0.000 1.198 380 K HN 0.286 nan 8.250 nan 0.000 0.464 381 V N 2.779 122.685 119.914 -0.012 0.000 2.441 381 V HA -0.034 4.086 4.120 -0.000 0.000 0.279 381 V C 1.092 177.181 176.094 -0.009 0.000 0.990 381 V CA 0.149 62.443 62.300 -0.010 0.000 1.116 381 V CB -0.094 31.724 31.823 -0.009 0.000 0.977 381 V HN 0.818 nan 8.190 nan 0.000 0.470 382 G N 3.703 112.498 108.800 -0.008 0.000 2.507 382 G HA2 0.688 4.648 3.960 -0.000 0.000 0.271 382 G HA3 0.688 4.648 3.960 -0.000 0.000 0.271 382 G C -0.259 174.637 174.900 -0.006 0.000 1.189 382 G CA 0.267 45.363 45.100 -0.008 0.000 0.859 382 G HN 1.370 nan 8.290 nan 0.000 0.542 383 A N -0.529 122.287 122.820 -0.006 0.000 2.590 383 A HA 0.739 5.059 4.320 -0.000 0.000 0.294 383 A C 0.560 178.141 177.584 -0.005 0.000 1.046 383 A CA 0.402 52.435 52.037 -0.005 0.000 0.684 383 A CB 0.426 19.422 19.000 -0.005 0.000 1.279 383 A HN 1.834 nan 8.150 nan 0.000 0.415 384 A N 0.447 123.265 122.820 -0.005 0.000 1.825 384 A HA 0.362 4.682 4.320 -0.000 0.000 0.214 384 A C 1.545 179.127 177.584 -0.004 0.000 1.206 384 A CA 2.395 54.429 52.037 -0.004 0.000 0.609 384 A CB -0.918 18.080 19.000 -0.004 0.000 0.851 384 A HN 1.846 nan 8.150 nan 0.000 0.445 385 T N -1.816 112.735 114.554 -0.004 0.000 2.902 385 T HA 0.277 4.626 4.350 -0.000 0.000 0.280 385 T C 0.912 175.609 174.700 -0.005 0.000 0.992 385 T CA 0.215 62.312 62.100 -0.004 0.000 1.015 385 T CB 1.300 70.166 68.868 -0.004 0.000 1.044 385 T HN 0.459 nan 8.240 nan 0.000 0.520 386 E N 1.313 121.510 120.200 -0.005 0.000 2.208 386 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 386 E C 1.810 178.407 176.600 -0.005 0.000 0.988 386 E CA 0.757 57.154 56.400 -0.005 0.000 0.828 386 E CB 0.044 29.741 29.700 -0.005 0.000 0.763 386 E HN 0.543 nan 8.360 nan 0.000 0.478 387 V N 1.363 121.274 119.914 -0.004 0.000 2.221 387 V HA -0.274 3.846 4.120 -0.000 0.000 0.242 387 V C 2.458 178.550 176.094 -0.003 0.000 1.041 387 V CA 2.275 64.573 62.300 -0.004 0.000 0.995 387 V CB -0.834 30.987 31.823 -0.003 0.000 0.635 387 V HN 0.403 nan 8.190 nan 0.000 0.448 388 E N -0.266 119.933 120.200 -0.003 0.000 2.086 388 E HA -0.331 4.018 4.350 -0.000 0.000 0.200 388 E C 2.217 178.815 176.600 -0.003 0.000 1.012 388 E CA 2.179 58.577 56.400 -0.003 0.000 0.812 388 E CB -0.240 29.458 29.700 -0.003 0.000 0.743 388 E HN 0.408 nan 8.360 nan 0.000 0.453 389 M N 1.307 120.905 119.600 -0.004 0.000 2.605 389 M HA -0.254 4.226 4.480 -0.000 0.000 0.269 389 M C 1.983 178.280 176.300 -0.004 0.000 1.064 389 M CA 2.150 57.448 55.300 -0.005 0.000 1.078 389 M CB -0.745 31.852 32.600 -0.005 0.000 1.234 389 M HN 0.029 nan 8.290 nan 0.000 0.483 390 K N -0.327 120.071 120.400 -0.004 0.000 2.160 390 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 390 K C 1.994 178.594 176.600 -0.001 0.000 1.047 390 K CA 1.467 57.752 56.287 -0.003 0.000 0.930 390 K CB -0.324 32.174 32.500 -0.003 0.000 0.720 390 K HN 0.431 nan 8.250 nan 0.000 0.450 391 E N 2.001 122.200 120.200 -0.001 0.000 2.007 391 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 391 E C 1.922 178.522 176.600 0.001 0.000 0.999 391 E CA 1.518 57.918 56.400 0.000 0.000 0.811 391 E CB -0.050 29.650 29.700 -0.001 0.000 0.762 391 E HN 0.173 nan 8.360 nan 0.000 0.450 392 K N 0.975 121.375 120.400 -0.001 0.000 2.059 392 K HA -0.245 4.075 4.320 -0.000 0.000 0.212 392 K C 2.371 178.971 176.600 -0.001 0.000 1.050 392 K CA 2.233 58.519 56.287 -0.001 0.000 0.927 392 K CB -0.277 32.221 32.500 -0.003 0.000 0.714 392 K HN -0.003 nan 8.250 nan 0.000 0.447 393 K N 0.077 120.476 120.400 -0.002 0.000 2.144 393 K HA -0.244 4.075 4.320 -0.000 0.000 0.209 393 K C 1.866 178.467 176.600 0.001 0.000 1.047 393 K CA 1.542 57.827 56.287 -0.003 0.000 0.927 393 K CB -0.258 32.239 32.500 -0.004 0.000 0.716 393 K HN 0.305 nan 8.250 nan 0.000 0.454 394 A N 1.451 124.274 122.820 0.005 0.000 1.835 394 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 394 A C 2.098 179.694 177.584 0.019 0.000 1.199 394 A CA 1.803 53.848 52.037 0.013 0.000 0.615 394 A CB -0.657 18.351 19.000 0.013 0.000 0.838 394 A HN 0.402 nan 8.150 nan 0.000 0.444 395 R N -0.603 119.906 120.500 0.014 0.000 2.119 395 R HA -0.161 4.179 4.340 -0.000 0.000 0.246 395 R C 1.987 178.297 176.300 0.017 0.000 1.146 395 R CA 1.622 57.732 56.100 0.016 0.000 0.962 395 R CB -0.893 29.412 30.300 0.009 0.000 0.863 395 R HN 0.413 nan 8.270 nan 0.000 0.442 396 V N 1.311 121.229 119.914 0.007 0.000 2.219 396 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 396 V C 2.033 178.124 176.094 -0.005 0.000 1.053 396 V CA 2.251 64.550 62.300 -0.001 0.000 1.009 396 V CB -0.587 31.231 31.823 -0.009 0.000 0.636 396 V HN 0.401 nan 8.190 nan 0.000 0.445 397 E N -0.037 120.158 120.200 -0.008 0.000 2.130 397 E HA -0.263 4.086 4.350 -0.000 0.000 0.196 397 E C 1.877 178.491 176.600 0.023 0.000 0.998 397 E CA 1.560 57.940 56.400 -0.032 0.000 0.806 397 E CB -0.294 29.399 29.700 -0.012 0.000 0.738 397 E HN 0.653 nan 8.360 nan 0.000 0.459 398 D N 0.695 121.148 120.400 0.087 0.000 2.106 398 D HA -0.194 4.446 4.640 -0.000 0.000 0.194 398 D C 1.989 178.363 176.300 0.123 0.000 0.988 398 D CA 1.618 55.706 54.000 0.146 0.000 0.845 398 D CB -0.754 40.092 40.800 0.077 0.000 0.990 398 D HN 0.179 nan 8.370 nan 0.000 0.448 399 A N 1.223 124.079 122.820 0.060 0.000 1.881 399 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 399 A C 2.353 179.961 177.584 0.040 0.000 1.215 399 A CA 2.178 54.240 52.037 0.042 0.000 0.648 399 A CB -1.311 17.700 19.000 0.019 0.000 0.832 399 A HN 0.357 nan 8.150 nan 0.000 0.455 400 L N -1.455 119.769 121.223 0.003 0.000 2.030 400 L HA -0.349 3.991 4.340 -0.000 0.000 0.222 400 L C 2.613 179.475 176.870 -0.014 0.000 1.082 400 L CA 2.510 57.329 54.840 -0.036 0.000 0.785 400 L CB -0.593 41.407 42.059 -0.099 0.000 0.895 400 L HN 0.594 nan 8.230 nan 0.000 0.439 401 H N -0.205 118.868 119.070 0.004 0.000 2.497 401 H HA -0.273 4.283 4.556 -0.000 0.000 0.294 401 H C 2.172 177.504 175.328 0.007 0.000 1.056 401 H CA 1.932 57.984 56.048 0.007 0.000 1.124 401 H CB -0.870 28.897 29.762 0.008 0.000 1.407 401 H HN 0.590 nan 8.280 nan 0.000 0.617 402 A N 0.359 123.286 122.820 0.178 0.000 1.944 402 A HA -0.309 4.010 4.320 -0.000 0.000 0.222 402 A C 2.700 180.321 177.584 0.060 0.000 1.237 402 A CA 3.272 55.360 52.037 0.085 0.000 0.668 402 A CB -1.379 17.656 19.000 0.058 0.000 0.830 402 A HN 0.619 nan 8.150 nan 0.000 0.471 403 T N -0.566 114.019 114.554 0.051 0.000 2.635 403 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 403 T C 2.013 176.730 174.700 0.029 0.000 1.040 403 T CA 1.689 63.807 62.100 0.030 0.000 1.156 403 T CB -0.305 68.573 68.868 0.017 0.000 0.863 403 T HN 0.580 nan 8.240 nan 0.000 0.430 404 R N 0.892 121.413 120.500 0.035 0.000 2.096 404 R HA -0.069 4.271 4.340 -0.000 0.000 0.240 404 R C 2.872 179.195 176.300 0.038 0.000 1.139 404 R CA 1.479 57.599 56.100 0.032 0.000 0.952 404 R CB -0.621 29.700 30.300 0.036 0.000 0.854 404 R HN 0.410 nan 8.270 nan 0.000 0.436 405 A N 1.239 124.091 122.820 0.052 0.000 1.877 405 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 405 A C 2.419 180.020 177.584 0.028 0.000 1.186 405 A CA 1.729 53.790 52.037 0.041 0.000 0.620 405 A CB -0.825 18.203 19.000 0.045 0.000 0.822 405 A HN 0.421 nan 8.150 nan 0.000 0.443 406 A N -0.407 122.429 122.820 0.028 0.000 1.903 406 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 406 A C 2.263 179.857 177.584 0.017 0.000 1.191 406 A CA 2.232 54.281 52.037 0.020 0.000 0.638 406 A CB -1.239 17.773 19.000 0.020 0.000 0.823 406 A HN 0.479 nan 8.150 nan 0.000 0.451 407 V N 0.209 120.134 119.914 0.018 0.000 2.219 407 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 407 V C 2.426 178.529 176.094 0.014 0.000 1.053 407 V CA 2.502 64.811 62.300 0.015 0.000 1.009 407 V CB -1.163 30.669 31.823 0.014 0.000 0.636 407 V HN 0.695 nan 8.190 nan 0.000 0.445 408 E N 0.034 120.244 120.200 0.017 0.000 2.097 408 E HA -0.248 4.101 4.350 -0.000 0.000 0.196 408 E C 1.593 178.199 176.600 0.011 0.000 1.000 408 E CA 1.766 58.175 56.400 0.015 0.000 0.804 408 E CB -0.129 29.581 29.700 0.018 0.000 0.740 408 E HN 0.732 nan 8.360 nan 0.000 0.454 409 E N -0.631 119.576 120.200 0.011 0.000 2.759 409 E HA 0.253 4.603 4.350 -0.000 0.000 0.220 409 E C 0.399 177.004 176.600 0.008 0.000 0.974 409 E CA 0.114 56.518 56.400 0.008 0.000 1.148 409 E CB 1.494 31.197 29.700 0.004 0.000 1.059 409 E HN 0.232 nan 8.360 nan 0.000 0.493 410 G N 1.415 110.222 108.800 0.010 0.000 2.693 410 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.226 410 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.226 410 G C -0.148 174.759 174.900 0.011 0.000 1.354 410 G CA -0.341 44.765 45.100 0.011 0.000 0.873 410 G HN 0.564 nan 8.290 nan 0.000 0.562 411 V N -3.015 116.906 119.914 0.011 0.000 3.156 411 V HA 1.032 5.152 4.120 -0.000 0.000 0.310 411 V C 0.518 176.619 176.094 0.012 0.000 1.234 411 V CA 0.644 62.951 62.300 0.011 0.000 1.065 411 V CB 1.330 33.160 31.823 0.012 0.000 1.088 411 V HN 2.662 nan 8.190 nan 0.000 0.451 412 V N -2.900 117.021 119.914 0.011 0.000 3.203 412 V HA 0.992 5.112 4.120 -0.000 0.000 0.305 412 V C 0.254 176.356 176.094 0.012 0.000 1.361 412 V CA -0.792 61.517 62.300 0.014 0.000 1.066 412 V CB 0.919 32.750 31.823 0.013 0.000 1.085 412 V HN 2.497 nan 8.190 nan 0.000 0.456 413 A N 0.042 122.872 122.820 0.016 0.000 2.546 413 A HA 0.554 4.874 4.320 -0.000 0.000 0.243 413 A C 1.140 178.726 177.584 0.002 0.000 1.063 413 A CA 0.563 52.607 52.037 0.011 0.000 0.757 413 A CB -0.172 18.839 19.000 0.018 0.000 0.991 413 A HN 2.248 nan 8.150 nan 0.000 0.503 414 G N 1.460 110.256 108.800 -0.008 0.000 3.502 414 G HA2 0.366 4.326 3.960 -0.000 0.000 0.267 414 G HA3 0.366 4.326 3.960 -0.000 0.000 0.267 414 G C 0.699 175.587 174.900 -0.020 0.000 1.090 414 G CA 0.642 45.735 45.100 -0.011 0.000 0.795 414 G HN 1.156 nan 8.290 nan 0.000 0.535 415 G N -0.319 108.467 108.800 -0.025 0.000 3.448 415 G HA2 0.415 4.375 3.960 -0.000 0.000 0.261 415 G HA3 0.415 4.375 3.960 -0.000 0.000 0.261 415 G C 1.163 176.058 174.900 -0.009 0.000 1.173 415 G CA 0.184 45.265 45.100 -0.032 0.000 0.835 415 G HN 1.177 nan 8.290 nan 0.000 0.534 416 G N -0.933 107.866 108.800 -0.001 0.000 2.176 416 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.253 416 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.253 416 G C 1.246 176.154 174.900 0.014 0.000 0.979 416 G CA 0.476 45.581 45.100 0.008 0.000 0.641 416 G HN 0.523 nan 8.290 nan 0.000 0.530 417 V N 1.069 120.989 119.914 0.011 0.000 2.223 417 V HA -0.024 4.096 4.120 -0.000 0.000 0.244 417 V C 3.325 179.432 176.094 0.022 0.000 1.045 417 V CA 3.065 65.375 62.300 0.017 0.000 1.000 417 V CB -1.562 30.266 31.823 0.008 0.000 0.635 417 V HN 1.200 nan 8.190 nan 0.000 0.445 418 A N 0.309 123.140 122.820 0.019 0.000 1.929 418 A HA -0.260 4.060 4.320 -0.000 0.000 0.221 418 A C 2.224 179.820 177.584 0.020 0.000 1.211 418 A CA 2.470 54.519 52.037 0.020 0.000 0.657 418 A CB -0.771 18.238 19.000 0.014 0.000 0.827 418 A HN 0.430 nan 8.150 nan 0.000 0.462 419 L N -0.686 120.548 121.223 0.017 0.000 2.017 419 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 419 L C 2.647 179.529 176.870 0.021 0.000 1.073 419 L CA 1.466 56.316 54.840 0.017 0.000 0.745 419 L CB -1.288 40.780 42.059 0.015 0.000 0.894 419 L HN 0.345 nan 8.230 nan 0.000 0.432 420 I N -0.121 120.464 120.570 0.024 0.000 2.118 420 I HA -0.327 3.843 4.170 -0.000 0.000 0.241 420 I C 2.733 178.869 176.117 0.032 0.000 1.070 420 I CA 1.255 62.572 61.300 0.029 0.000 1.327 420 I CB -0.979 37.042 38.000 0.034 0.000 1.034 420 I HN 0.285 nan 8.210 nan 0.000 0.405 421 R N 1.415 121.936 120.500 0.036 0.000 2.171 421 R HA -0.207 4.133 4.340 -0.000 0.000 0.226 421 R C 2.397 178.715 176.300 0.030 0.000 1.113 421 R CA 2.988 59.112 56.100 0.040 0.000 0.887 421 R CB -1.077 29.249 30.300 0.042 0.000 0.830 421 R HN 0.314 nan 8.270 nan 0.000 0.432 422 V N -1.074 118.855 119.914 0.025 0.000 2.313 422 V HA -0.297 3.823 4.120 -0.000 0.000 0.253 422 V C 2.177 178.281 176.094 0.018 0.000 1.070 422 V CA 2.243 64.554 62.300 0.019 0.000 1.057 422 V CB -1.698 30.134 31.823 0.015 0.000 0.653 422 V HN 0.517 nan 8.190 nan 0.000 0.450 423 A N 1.788 124.619 122.820 0.018 0.000 1.851 423 A HA -0.221 4.098 4.320 -0.000 0.000 0.216 423 A C 2.669 180.263 177.584 0.017 0.000 1.195 423 A CA 3.449 55.496 52.037 0.016 0.000 0.622 423 A CB -1.428 17.582 19.000 0.017 0.000 0.831 423 A HN 1.159 nan 8.150 nan 0.000 0.444 424 S N -0.300 115.413 115.700 0.021 0.000 2.420 424 S HA -0.219 4.251 4.470 -0.000 0.000 0.237 424 S C 1.850 176.461 174.600 0.018 0.000 1.023 424 S CA 1.473 59.685 58.200 0.021 0.000 0.991 424 S CB -0.324 62.893 63.200 0.027 0.000 0.792 424 S HN 0.461 nan 8.310 nan 0.000 0.488 425 K N 2.323 122.734 120.400 0.019 0.000 1.969 425 K HA 0.014 4.334 4.320 -0.000 0.000 0.220 425 K C 1.569 178.176 176.600 0.012 0.000 1.040 425 K CA 1.263 57.560 56.287 0.016 0.000 0.981 425 K CB -1.305 31.205 32.500 0.016 0.000 0.746 425 K HN 0.676 nan 8.250 nan 0.000 0.444 426 L N 0.189 121.419 121.223 0.011 0.000 2.544 426 L HA 0.250 4.590 4.340 -0.000 0.000 0.240 426 L C 1.010 177.885 176.870 0.008 0.000 1.421 426 L CA -0.167 54.678 54.840 0.009 0.000 1.206 426 L CB -0.483 41.580 42.059 0.007 0.000 1.463 426 L HN 0.016 nan 8.230 nan 0.000 0.437 427 A N -0.403 122.423 122.820 0.009 0.000 2.275 427 A HA 0.056 4.376 4.320 -0.000 0.000 0.212 427 A C 1.574 179.162 177.584 0.006 0.000 1.201 427 A CA 0.247 52.289 52.037 0.008 0.000 0.843 427 A CB -0.045 18.960 19.000 0.009 0.000 0.873 427 A HN 0.624 nan 8.150 nan 0.000 0.492 428 D N -0.867 119.536 120.400 0.006 0.000 2.431 428 D HA 0.043 4.683 4.640 -0.000 0.000 0.235 428 D C 0.542 176.844 176.300 0.004 0.000 0.980 428 D CA -0.087 53.916 54.000 0.005 0.000 0.912 428 D CB -0.270 40.532 40.800 0.004 0.000 1.056 428 D HN 0.271 nan 8.370 nan 0.000 0.494 429 L N 2.969 124.195 121.223 0.005 0.000 3.505 429 L HA -0.224 4.116 4.340 -0.000 0.000 0.392 429 L C 0.082 176.954 176.870 0.004 0.000 1.042 429 L CA 0.816 55.658 54.840 0.004 0.000 0.788 429 L CB -0.127 41.934 42.059 0.004 0.000 1.235 429 L HN -0.063 nan 8.230 nan 0.000 0.694 430 R N 3.664 124.166 120.500 0.003 0.000 2.902 430 R HA 0.867 5.207 4.340 -0.000 0.000 0.258 430 R C 0.076 176.378 176.300 0.003 0.000 1.071 430 R CA -0.301 55.800 56.100 0.003 0.000 1.024 430 R CB 1.430 31.732 30.300 0.003 0.000 1.184 430 R HN 0.769 nan 8.270 nan 0.000 0.492 431 G N -0.120 108.682 108.800 0.003 0.000 2.658 431 G HA2 0.378 4.337 3.960 -0.000 0.000 0.292 431 G HA3 0.378 4.337 3.960 -0.000 0.000 0.292 431 G C -0.234 174.667 174.900 0.002 0.000 1.320 431 G CA -0.371 44.730 45.100 0.003 0.000 0.933 431 G HN 0.266 nan 8.290 nan 0.000 0.476 432 Q N 0.239 120.041 119.800 0.002 0.000 1.809 432 Q HA -0.036 4.304 4.340 -0.000 0.000 0.269 432 Q C 1.424 177.426 176.000 0.002 0.000 0.984 432 Q CA 0.860 56.664 55.803 0.002 0.000 0.885 432 Q CB -0.550 28.189 28.738 0.002 0.000 0.933 432 Q HN 0.690 nan 8.270 nan 0.000 0.422 433 N N 1.003 119.705 118.700 0.002 0.000 2.412 433 N HA -0.132 4.608 4.740 -0.000 0.000 0.254 433 N C 0.743 176.255 175.510 0.002 0.000 1.232 433 N CA 0.012 53.063 53.050 0.002 0.000 0.880 433 N CB 0.450 38.939 38.487 0.003 0.000 1.076 433 N HN 0.351 nan 8.380 nan 0.000 0.458 434 E N 2.382 122.583 120.200 0.002 0.000 2.160 434 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 434 E C 0.326 176.928 176.600 0.003 0.000 0.991 434 E CA 1.257 57.659 56.400 0.002 0.000 0.810 434 E CB 0.120 29.821 29.700 0.002 0.000 0.742 434 E HN 0.632 nan 8.360 nan 0.000 0.466 435 D N 0.328 120.729 120.400 0.003 0.000 2.351 435 D HA -0.144 4.496 4.640 -0.000 0.000 0.216 435 D C 1.600 177.902 176.300 0.003 0.000 0.968 435 D CA 0.846 54.847 54.000 0.003 0.000 0.899 435 D CB 0.052 40.854 40.800 0.003 0.000 0.907 435 D HN 0.472 nan 8.370 nan 0.000 0.514 436 Q N -0.254 119.548 119.800 0.003 0.000 2.297 436 Q HA 0.028 4.368 4.340 -0.000 0.000 0.203 436 Q C 1.761 177.763 176.000 0.004 0.000 0.931 436 Q CA 0.166 55.971 55.803 0.004 0.000 0.885 436 Q CB 0.181 28.921 28.738 0.003 0.000 0.991 436 Q HN 0.205 nan 8.270 nan 0.000 0.498 437 N N 0.828 119.530 118.700 0.003 0.000 2.043 437 N HA -0.144 4.596 4.740 -0.000 0.000 0.193 437 N C 2.049 177.561 175.510 0.004 0.000 1.037 437 N CA 1.516 54.568 53.050 0.003 0.000 0.851 437 N CB -0.430 38.059 38.487 0.003 0.000 1.027 437 N HN 0.044 nan 8.380 nan 0.000 0.422 438 V N 1.346 121.262 119.914 0.004 0.000 2.282 438 V HA -0.207 3.913 4.120 -0.000 0.000 0.249 438 V C 2.597 178.694 176.094 0.005 0.000 1.057 438 V CA 2.106 64.409 62.300 0.004 0.000 1.032 438 V CB -1.530 30.295 31.823 0.004 0.000 0.645 438 V HN 0.363 nan 8.190 nan 0.000 0.447 439 G N 0.310 109.113 108.800 0.005 0.000 2.505 439 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 439 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 439 G C 1.531 176.434 174.900 0.006 0.000 1.145 439 G CA 1.469 46.572 45.100 0.005 0.000 0.761 439 G HN 0.545 nan 8.290 nan 0.000 0.571 440 I N 0.042 120.615 120.570 0.005 0.000 2.252 440 I HA -0.084 4.086 4.170 -0.000 0.000 0.245 440 I C 2.756 178.877 176.117 0.006 0.000 1.102 440 I CA 1.110 62.413 61.300 0.005 0.000 1.385 440 I CB -0.233 37.770 38.000 0.005 0.000 1.064 440 I HN 0.010 nan 8.210 nan 0.000 0.414 441 K N 1.157 121.561 120.400 0.006 0.000 1.977 441 K HA -0.159 4.161 4.320 -0.000 0.000 0.218 441 K C 1.982 178.586 176.600 0.007 0.000 1.051 441 K CA 1.588 57.878 56.287 0.006 0.000 0.953 441 K CB -1.020 31.483 32.500 0.005 0.000 0.727 441 K HN 0.020 nan 8.250 nan 0.000 0.445 442 V N 1.175 121.093 119.914 0.007 0.000 2.243 442 V HA -0.416 3.704 4.120 -0.000 0.000 0.258 442 V C 2.207 178.306 176.094 0.008 0.000 1.073 442 V CA 2.420 64.724 62.300 0.007 0.000 1.069 442 V CB -1.174 30.654 31.823 0.007 0.000 0.681 442 V HN 0.540 nan 8.190 nan 0.000 0.457 443 A N -0.403 122.423 122.820 0.008 0.000 1.852 443 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 443 A C 2.181 179.771 177.584 0.010 0.000 1.215 443 A CA 2.659 54.702 52.037 0.009 0.000 0.641 443 A CB -0.809 18.196 19.000 0.008 0.000 0.838 443 A HN 0.522 nan 8.150 nan 0.000 0.450 444 L N -1.240 119.988 121.223 0.009 0.000 1.970 444 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 444 L C 2.851 179.728 176.870 0.011 0.000 1.071 444 L CA 2.085 56.931 54.840 0.010 0.000 0.751 444 L CB -0.587 41.477 42.059 0.009 0.000 0.889 444 L HN 0.535 nan 8.230 nan 0.000 0.432 445 R N 0.433 120.939 120.500 0.010 0.000 2.170 445 R HA -0.206 4.134 4.340 -0.000 0.000 0.242 445 R C 2.142 178.448 176.300 0.011 0.000 1.145 445 R CA 1.420 57.526 56.100 0.010 0.000 0.984 445 R CB -0.216 30.090 30.300 0.008 0.000 0.869 445 R HN 0.394 nan 8.270 nan 0.000 0.455 446 A N 0.521 123.347 122.820 0.011 0.000 2.066 446 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 446 A C 2.014 179.606 177.584 0.013 0.000 1.157 446 A CA 1.068 53.112 52.037 0.012 0.000 0.670 446 A CB -0.267 18.740 19.000 0.012 0.000 0.804 446 A HN 0.371 nan 8.150 nan 0.000 0.453 447 M N -0.795 118.813 119.600 0.013 0.000 2.476 447 M HA -0.055 4.425 4.480 -0.000 0.000 0.262 447 M C 1.413 177.722 176.300 0.015 0.000 1.079 447 M CA 0.898 56.207 55.300 0.014 0.000 1.104 447 M CB -0.286 32.323 32.600 0.014 0.000 1.409 447 M HN 0.432 nan 8.290 nan 0.000 0.467 448 E N 0.821 121.030 120.200 0.015 0.000 2.358 448 E HA -0.015 4.334 4.350 -0.000 0.000 0.195 448 E C 2.105 178.715 176.600 0.016 0.000 1.010 448 E CA 0.484 56.894 56.400 0.017 0.000 0.856 448 E CB 0.024 29.733 29.700 0.015 0.000 0.795 448 E HN 0.483 nan 8.360 nan 0.000 0.504 449 A N 2.444 125.272 122.820 0.014 0.000 1.870 449 A HA -0.208 4.111 4.320 -0.000 0.000 0.219 449 A C -0.301 177.291 177.584 0.014 0.000 1.224 449 A CA 1.736 53.781 52.037 0.013 0.000 0.650 449 A CB -1.723 17.284 19.000 0.012 0.000 0.836 449 A HN 0.139 nan 8.150 nan 0.000 0.454 450 P HA -0.189 nan 4.420 nan 0.000 0.214 450 P C 1.794 179.103 177.300 0.015 0.000 1.169 450 P CA 1.395 64.502 63.100 0.012 0.000 0.908 450 P CB -0.141 31.566 31.700 0.012 0.000 0.791 451 L N -0.272 120.963 121.223 0.020 0.000 1.956 451 L HA -0.217 4.123 4.340 -0.000 0.000 0.216 451 L C 2.389 179.277 176.870 0.031 0.000 1.073 451 L CA 2.006 56.864 54.840 0.029 0.000 0.762 451 L CB -1.087 40.993 42.059 0.035 0.000 0.889 451 L HN -0.210 nan 8.230 nan 0.000 0.433 452 R N -0.985 119.530 120.500 0.024 0.000 2.113 452 R HA -0.287 4.053 4.340 -0.000 0.000 0.244 452 R C 2.354 178.665 176.300 0.019 0.000 1.142 452 R CA 1.947 58.058 56.100 0.020 0.000 0.953 452 R CB -0.587 29.722 30.300 0.014 0.000 0.860 452 R HN 0.488 nan 8.270 nan 0.000 0.438 453 Q N 0.724 120.534 119.800 0.016 0.000 2.096 453 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 453 Q C 1.855 177.864 176.000 0.015 0.000 0.982 453 Q CA 1.573 57.384 55.803 0.013 0.000 0.850 453 Q CB -0.055 28.689 28.738 0.010 0.000 0.901 453 Q HN 0.248 nan 8.270 nan 0.000 0.422 454 I N -0.402 120.179 120.570 0.018 0.000 2.090 454 I HA -0.241 3.929 4.170 -0.000 0.000 0.236 454 I C 2.260 178.397 176.117 0.033 0.000 1.064 454 I CA 1.011 62.321 61.300 0.018 0.000 1.324 454 I CB -1.559 36.450 38.000 0.015 0.000 1.044 454 I HN 0.096 nan 8.210 nan 0.000 0.399 455 V N 1.214 121.163 119.914 0.059 0.000 2.277 455 V HA -0.310 3.810 4.120 -0.000 0.000 0.253 455 V C 2.637 178.756 176.094 0.041 0.000 1.067 455 V CA 2.000 64.346 62.300 0.077 0.000 1.047 455 V CB -0.881 30.974 31.823 0.053 0.000 0.649 455 V HN 0.350 nan 8.190 nan 0.000 0.447 456 L N 0.997 122.236 121.223 0.026 0.000 1.970 456 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 456 L C 2.222 179.101 176.870 0.015 0.000 1.071 456 L CA 2.179 57.029 54.840 0.016 0.000 0.751 456 L CB -1.174 40.892 42.059 0.012 0.000 0.889 456 L HN 0.338 nan 8.230 nan 0.000 0.432 457 N N -0.858 117.850 118.700 0.014 0.000 2.272 457 N HA -0.178 4.562 4.740 -0.000 0.000 0.185 457 N C 1.664 177.180 175.510 0.010 0.000 1.014 457 N CA 1.638 54.693 53.050 0.009 0.000 0.870 457 N CB -0.757 37.733 38.487 0.004 0.000 0.975 457 N HN 0.467 nan 8.380 nan 0.000 0.433 458 C N -0.702 118.608 119.300 0.017 0.000 2.626 458 C HA 0.322 4.782 4.460 -0.000 0.000 0.266 458 C C 1.647 176.650 174.990 0.023 0.000 1.317 458 C CA 0.136 59.166 59.018 0.019 0.000 1.716 458 C CB -0.995 26.764 27.740 0.032 0.000 1.819 458 C HN 0.603 nan 8.230 nan 0.000 0.578 459 G N 1.095 109.907 108.800 0.020 0.000 2.136 459 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.242 459 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.242 459 G C -0.272 174.640 174.900 0.019 0.000 0.989 459 G CA 0.092 45.202 45.100 0.017 0.000 0.682 459 G HN 0.512 nan 8.290 nan 0.000 0.522 460 E N 0.172 120.387 120.200 0.025 0.000 2.232 460 E HA 0.412 4.762 4.350 -0.000 0.000 0.264 460 E C 0.056 176.655 176.600 -0.001 0.000 0.973 460 E CA -0.879 55.531 56.400 0.017 0.000 0.849 460 E CB 0.688 30.410 29.700 0.036 0.000 1.198 460 E HN 0.209 nan 8.360 nan 0.000 0.407 461 E N 2.250 122.438 120.200 -0.019 0.000 2.238 461 E HA 0.049 4.399 4.350 -0.000 0.000 0.264 461 E C -1.734 174.847 176.600 -0.031 0.000 1.136 461 E CA -1.415 54.971 56.400 -0.023 0.000 0.929 461 E CB 0.575 30.259 29.700 -0.027 0.000 1.010 461 E HN 0.187 nan 8.360 nan 0.000 0.440 462 P HA -0.193 nan 4.420 nan 0.000 0.208 462 P C 1.565 178.856 177.300 -0.015 0.000 1.200 462 P CA 1.742 64.836 63.100 -0.011 0.000 0.924 462 P CB 0.040 31.740 31.700 0.000 0.000 0.774 463 S N -0.453 115.241 115.700 -0.009 0.000 2.406 463 S HA -0.247 4.222 4.470 -0.000 0.000 0.242 463 S C 2.007 176.600 174.600 -0.012 0.000 1.079 463 S CA 2.401 60.596 58.200 -0.007 0.000 1.133 463 S CB -2.062 61.135 63.200 -0.006 0.000 1.005 463 S HN -0.066 nan 8.310 nan 0.000 0.443 464 V N 1.923 121.824 119.914 -0.021 0.000 2.220 464 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 464 V C 2.719 178.795 176.094 -0.030 0.000 1.049 464 V CA 1.941 64.225 62.300 -0.026 0.000 1.003 464 V CB -1.084 30.721 31.823 -0.030 0.000 0.634 464 V HN 0.496 nan 8.190 nan 0.000 0.444 465 V N 0.278 120.152 119.914 -0.066 0.000 2.252 465 V HA -0.342 3.778 4.120 -0.000 0.000 0.249 465 V C 2.756 178.853 176.094 0.004 0.000 1.056 465 V CA 2.341 64.590 62.300 -0.084 0.000 1.022 465 V CB -1.401 30.242 31.823 -0.299 0.000 0.641 465 V HN 0.594 nan 8.190 nan 0.000 0.445 466 A N 0.583 123.401 122.820 -0.003 0.000 1.881 466 A HA -0.422 3.898 4.320 -0.000 0.000 0.219 466 A C 2.024 179.624 177.584 0.026 0.000 1.215 466 A CA 2.964 55.014 52.037 0.021 0.000 0.648 466 A CB -1.193 17.814 19.000 0.013 0.000 0.832 466 A HN 0.723 nan 8.150 nan 0.000 0.455 467 N N -0.323 118.383 118.700 0.011 0.000 2.023 467 N HA -0.249 4.490 4.740 -0.000 0.000 0.200 467 N C 1.849 177.366 175.510 0.012 0.000 1.048 467 N CA 4.068 57.122 53.050 0.008 0.000 0.872 467 N CB -0.894 37.590 38.487 -0.005 0.000 1.070 467 N HN 0.572 nan 8.380 nan 0.000 0.441 468 T N -2.024 112.526 114.554 -0.008 0.000 2.822 468 T HA -0.113 4.237 4.350 -0.000 0.000 0.270 468 T C 1.907 176.625 174.700 0.029 0.000 1.064 468 T CA 1.735 63.811 62.100 -0.040 0.000 1.131 468 T CB -0.842 67.908 68.868 -0.197 0.000 0.858 468 T HN 0.084 nan 8.240 nan 0.000 0.483 469 V N 1.502 121.460 119.914 0.072 0.000 2.453 469 V HA -0.071 4.049 4.120 -0.000 0.000 0.247 469 V C 2.894 179.054 176.094 0.110 0.000 1.048 469 V CA 1.429 63.784 62.300 0.092 0.000 1.049 469 V CB -0.490 31.384 31.823 0.084 0.000 0.672 469 V HN 0.413 nan 8.190 nan 0.000 0.457 470 K N 0.949 121.393 120.400 0.074 0.000 2.074 470 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 470 K C 2.284 178.929 176.600 0.075 0.000 1.048 470 K CA 1.670 57.996 56.287 0.064 0.000 0.926 470 K CB -1.182 31.342 32.500 0.039 0.000 0.713 470 K HN 0.528 nan 8.250 nan 0.000 0.444 471 G N 1.455 110.298 108.800 0.072 0.000 2.553 471 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 471 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 471 G C 1.111 176.060 174.900 0.082 0.000 1.195 471 G CA 1.392 46.528 45.100 0.060 0.000 0.779 471 G HN 0.476 nan 8.290 nan 0.000 0.577 472 G N -0.737 108.177 108.800 0.189 0.000 2.466 472 G HA2 0.420 4.380 3.960 -0.000 0.000 0.279 472 G HA3 0.420 4.380 3.960 -0.000 0.000 0.279 472 G C -0.401 174.587 174.900 0.147 0.000 1.410 472 G CA 0.258 45.462 45.100 0.173 0.000 1.065 472 G HN 0.369 nan 8.290 nan 0.000 0.547 473 D N -2.519 117.961 120.400 0.134 0.000 2.677 473 D HA 0.498 5.138 4.640 -0.000 0.000 0.298 473 D C 0.674 177.049 176.300 0.124 0.000 1.250 473 D CA 0.572 54.632 54.000 0.100 0.000 0.888 473 D CB 1.308 42.132 40.800 0.039 0.000 1.397 473 D HN 1.016 nan 8.370 nan 0.000 0.461 474 G N 0.981 109.833 108.800 0.087 0.000 2.566 474 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.280 474 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.280 474 G C 0.161 175.125 174.900 0.106 0.000 1.225 474 G CA -0.031 45.119 45.100 0.083 0.000 0.966 474 G HN 0.537 nan 8.290 nan 0.000 0.560 475 N N 0.511 119.276 118.700 0.108 0.000 2.346 475 N HA 0.133 4.873 4.740 -0.000 0.000 0.225 475 N C -0.039 175.560 175.510 0.148 0.000 1.144 475 N CA 0.154 53.263 53.050 0.099 0.000 0.837 475 N CB 0.152 38.681 38.487 0.069 0.000 1.069 475 N HN 0.474 nan 8.380 nan 0.000 0.487 476 Y N 1.254 121.585 120.300 0.052 0.000 2.436 476 Y HA 0.447 4.997 4.550 -0.000 0.000 0.336 476 Y C 0.662 176.627 175.900 0.109 0.000 1.049 476 Y CA -0.341 57.804 58.100 0.075 0.000 1.294 476 Y CB 0.225 38.724 38.460 0.064 0.000 1.179 476 Y HN 0.084 nan 8.280 nan 0.000 0.520 477 G N 4.298 112.884 108.800 -0.357 0.000 2.870 477 G HA2 0.304 4.264 3.960 -0.000 0.000 0.299 477 G HA3 0.304 4.264 3.960 -0.000 0.000 0.299 477 G C -2.428 172.346 174.900 -0.211 0.000 1.324 477 G CA -0.875 44.065 45.100 -0.267 0.000 0.808 477 G HN 0.537 nan 8.290 nan 0.000 0.535 478 Y N 1.331 121.478 120.300 -0.255 0.000 2.341 478 Y HA 0.609 5.159 4.550 -0.000 0.000 0.338 478 Y C -0.414 175.307 175.900 -0.299 0.000 0.965 478 Y CA -1.593 56.239 58.100 -0.447 0.000 1.108 478 Y CB 1.751 39.819 38.460 -0.653 0.000 1.180 478 Y HN 0.421 nan 8.280 nan 0.000 0.458 479 N N 4.838 123.064 118.700 -0.790 0.000 2.437 479 N HA 0.226 4.966 4.740 -0.000 0.000 0.243 479 N C 0.448 175.337 175.510 -1.036 0.000 1.041 479 N CA 0.619 53.281 53.050 -0.647 0.000 0.940 479 N CB 1.582 39.850 38.487 -0.366 0.000 1.133 479 N HN 0.960 nan 8.380 nan 0.000 0.506 480 A N 4.159 126.484 122.820 -0.826 0.000 1.933 480 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 480 A C 2.072 179.443 177.584 -0.354 0.000 1.175 480 A CA 1.833 53.505 52.037 -0.609 0.000 0.628 480 A CB -0.693 18.166 19.000 -0.236 0.000 0.814 480 A HN 0.736 nan 8.150 nan 0.000 0.444 481 A N -0.713 121.944 122.820 -0.270 0.000 2.024 481 A HA -0.075 4.245 4.320 -0.000 0.000 0.220 481 A C 2.207 179.698 177.584 -0.154 0.000 1.164 481 A CA 2.478 54.415 52.037 -0.166 0.000 0.643 481 A CB -0.791 18.131 19.000 -0.130 0.000 0.806 481 A HN 0.907 nan 8.150 nan 0.000 0.451 482 T N -5.102 109.324 114.554 -0.213 0.000 3.004 482 T HA 0.288 4.638 4.350 -0.000 0.000 0.266 482 T C 0.270 174.879 174.700 -0.152 0.000 0.986 482 T CA 0.682 62.693 62.100 -0.148 0.000 0.902 482 T CB -0.132 68.663 68.868 -0.122 0.000 1.118 482 T HN 0.541 nan 8.240 nan 0.000 0.522 483 E N 0.797 120.820 120.200 -0.296 0.000 2.791 483 E HA -0.162 4.188 4.350 -0.000 0.000 0.271 483 E C -0.768 175.833 176.600 0.002 0.000 1.044 483 E CA 0.647 56.975 56.400 -0.120 0.000 0.814 483 E CB -1.666 28.081 29.700 0.077 0.000 1.400 483 E HN 0.750 nan 8.360 nan 0.000 0.423 484 E N 0.056 120.141 120.200 -0.191 0.000 2.191 484 E HA 0.347 4.697 4.350 -0.000 0.000 0.263 484 E C -0.743 175.832 176.600 -0.041 0.000 0.881 484 E CA -0.617 55.775 56.400 -0.012 0.000 0.757 484 E CB 0.996 30.700 29.700 0.006 0.000 1.147 484 E HN 0.050 nan 8.360 nan 0.000 0.414 485 Y N 1.169 121.560 120.300 0.151 0.000 2.299 485 Y HA 0.590 5.140 4.550 -0.000 0.000 0.335 485 Y C 1.301 177.251 175.900 0.083 0.000 1.287 485 Y CA 0.482 58.611 58.100 0.048 0.000 1.424 485 Y CB 1.178 39.643 38.460 0.008 0.000 1.326 485 Y HN 0.703 nan 8.280 nan 0.000 0.567 486 G N 0.329 109.242 108.800 0.187 0.000 2.398 486 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.251 486 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.251 486 G C -1.646 173.422 174.900 0.280 0.000 1.277 486 G CA -1.056 44.248 45.100 0.341 0.000 0.927 486 G HN 0.544 nan 8.290 nan 0.000 0.477 487 N N 1.582 120.401 118.700 0.198 0.000 2.521 487 N HA 0.179 4.918 4.740 -0.000 0.000 0.236 487 N C 1.862 177.413 175.510 0.067 0.000 1.067 487 N CA -0.526 52.610 53.050 0.144 0.000 0.939 487 N CB 0.635 39.189 38.487 0.112 0.000 1.201 487 N HN 0.389 nan 8.380 nan 0.000 0.511 488 M N 3.054 122.676 119.600 0.037 0.000 2.116 488 M HA -0.239 4.241 4.480 -0.000 0.000 0.255 488 M C 1.660 177.962 176.300 0.004 0.000 1.075 488 M CA 1.508 56.806 55.300 -0.003 0.000 1.087 488 M CB -0.653 31.938 32.600 -0.014 0.000 1.340 488 M HN 0.564 nan 8.290 nan 0.000 0.402 489 I N -0.166 120.416 120.570 0.020 0.000 2.233 489 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 489 I C 1.964 178.090 176.117 0.016 0.000 1.093 489 I CA 1.101 62.411 61.300 0.016 0.000 1.380 489 I CB -0.562 37.452 38.000 0.022 0.000 1.067 489 I HN 0.197 nan 8.210 nan 0.000 0.413 490 D N 0.964 121.380 120.400 0.026 0.000 2.123 490 D HA -0.187 4.452 4.640 -0.000 0.000 0.196 490 D C 2.106 178.416 176.300 0.015 0.000 0.992 490 D CA 1.474 55.489 54.000 0.024 0.000 0.833 490 D CB -0.256 40.566 40.800 0.037 0.000 0.954 490 D HN 0.309 nan 8.370 nan 0.000 0.455 491 M N -0.525 119.082 119.600 0.012 0.000 2.700 491 M HA 0.074 4.554 4.480 -0.000 0.000 0.249 491 M C 1.058 177.348 176.300 -0.016 0.000 1.082 491 M CA 0.776 56.072 55.300 -0.006 0.000 1.077 491 M CB 0.009 32.596 32.600 -0.021 0.000 1.477 491 M HN 0.103 nan 8.290 nan 0.000 0.529 492 G N 1.599 110.394 108.800 -0.009 0.000 2.176 492 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.252 492 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.252 492 G C -0.176 174.712 174.900 -0.020 0.000 1.024 492 G CA -0.294 44.799 45.100 -0.012 0.000 0.755 492 G HN 0.411 nan 8.290 nan 0.000 0.507 493 I N 1.253 121.809 120.570 -0.024 0.000 2.464 493 I HA 0.575 4.745 4.170 -0.000 0.000 0.277 493 I C 0.575 176.680 176.117 -0.020 0.000 1.040 493 I CA -0.912 60.368 61.300 -0.033 0.000 1.153 493 I CB 0.243 38.208 38.000 -0.057 0.000 1.274 493 I HN 0.383 nan 8.210 nan 0.000 0.469 494 L N 2.934 124.150 121.223 -0.013 0.000 2.357 494 L HA 0.881 5.221 4.340 -0.000 0.000 0.244 494 L C -1.450 175.419 176.870 -0.003 0.000 1.115 494 L CA -0.834 54.004 54.840 -0.004 0.000 0.919 494 L CB 2.630 44.690 42.059 0.002 0.000 1.532 494 L HN 0.030 nan 8.230 nan 0.000 0.416 495 D N -0.487 119.915 120.400 0.002 0.000 2.990 495 D HA 0.389 5.029 4.640 -0.000 0.000 0.227 495 D C -2.821 173.483 176.300 0.007 0.000 1.249 495 D CA -1.053 52.949 54.000 0.003 0.000 0.891 495 D CB 2.573 43.374 40.800 0.002 0.000 1.647 495 D HN 0.297 nan 8.370 nan 0.000 0.530 496 P HA 0.013 nan 4.420 nan 0.000 0.258 496 P C 0.947 178.252 177.300 0.009 0.000 1.187 496 P CA 0.297 63.404 63.100 0.013 0.000 0.767 496 P CB 0.556 32.267 31.700 0.019 0.000 0.770 497 T N 3.168 117.727 114.554 0.008 0.000 2.653 497 T HA -0.300 4.050 4.350 -0.000 0.000 0.267 497 T C 1.637 176.337 174.700 0.000 0.000 1.037 497 T CA 1.752 63.855 62.100 0.005 0.000 1.159 497 T CB -0.379 68.492 68.868 0.005 0.000 0.859 497 T HN 0.507 nan 8.240 nan 0.000 0.449 498 K N 0.666 121.067 120.400 0.002 0.000 2.015 498 K HA -0.195 4.124 4.320 -0.000 0.000 0.216 498 K C 2.455 179.051 176.600 -0.006 0.000 1.052 498 K CA 2.214 58.500 56.287 -0.003 0.000 0.937 498 K CB -0.579 31.924 32.500 0.006 0.000 0.719 498 K HN 0.377 nan 8.250 nan 0.000 0.446 499 V N -0.554 119.362 119.914 0.002 0.000 2.252 499 V HA -0.267 3.853 4.120 -0.000 0.000 0.249 499 V C 1.978 178.075 176.094 0.005 0.000 1.056 499 V CA 2.567 64.870 62.300 0.005 0.000 1.022 499 V CB -1.494 30.332 31.823 0.004 0.000 0.641 499 V HN 0.412 nan 8.190 nan 0.000 0.445 500 T N 0.316 114.872 114.554 0.003 0.000 2.620 500 T HA -0.317 4.033 4.350 -0.000 0.000 0.267 500 T C 1.934 176.632 174.700 -0.003 0.000 1.044 500 T CA 2.821 64.923 62.100 0.003 0.000 1.161 500 T CB -0.484 68.386 68.868 0.003 0.000 0.862 500 T HN 0.671 nan 8.240 nan 0.000 0.438 501 R N 0.809 121.301 120.500 -0.014 0.000 2.113 501 R HA -0.156 4.184 4.340 -0.000 0.000 0.231 501 R C 2.667 178.934 176.300 -0.055 0.000 1.129 501 R CA 2.117 58.198 56.100 -0.033 0.000 0.915 501 R CB -0.645 29.630 30.300 -0.041 0.000 0.837 501 R HN 0.313 nan 8.270 nan 0.000 0.430 502 S N 0.789 116.447 115.700 -0.071 0.000 2.422 502 S HA -0.348 4.122 4.470 -0.000 0.000 0.248 502 S C 2.072 176.655 174.600 -0.028 0.000 1.069 502 S CA 1.788 59.917 58.200 -0.118 0.000 1.214 502 S CB -0.942 62.241 63.200 -0.029 0.000 1.122 502 S HN 0.652 nan 8.310 nan 0.000 0.432 503 A N 2.209 125.062 122.820 0.054 0.000 1.870 503 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 503 A C 2.143 179.774 177.584 0.079 0.000 1.224 503 A CA 2.065 54.157 52.037 0.092 0.000 0.650 503 A CB -1.170 17.860 19.000 0.051 0.000 0.836 503 A HN 0.459 nan 8.150 nan 0.000 0.454 504 L N -0.316 120.926 121.223 0.031 0.000 2.013 504 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 504 L C 2.571 179.451 176.870 0.017 0.000 1.073 504 L CA 2.736 57.588 54.840 0.021 0.000 0.753 504 L CB -1.213 40.848 42.059 0.004 0.000 0.890 504 L HN 0.618 nan 8.230 nan 0.000 0.432 505 Q N -1.370 118.414 119.800 -0.027 0.000 2.046 505 Q HA -0.238 4.102 4.340 -0.000 0.000 0.200 505 Q C 2.109 178.121 176.000 0.020 0.000 0.975 505 Q CA 1.711 57.478 55.803 -0.059 0.000 0.836 505 Q CB -0.326 28.304 28.738 -0.180 0.000 0.896 505 Q HN 0.444 nan 8.270 nan 0.000 0.428 506 Y N 0.671 120.970 120.300 -0.001 0.000 2.165 506 Y HA -0.233 4.317 4.550 0.000 0.000 0.286 506 Y C 2.428 178.327 175.900 -0.002 0.000 1.155 506 Y CA 0.889 58.987 58.100 -0.002 0.000 1.164 506 Y CB -0.892 37.565 38.460 -0.004 0.000 0.978 506 Y HN 0.156 nan 8.280 nan 0.000 0.513 507 A N -0.163 122.759 122.820 0.169 0.000 1.877 507 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 507 A C 2.529 180.155 177.584 0.070 0.000 1.186 507 A CA 2.051 54.142 52.037 0.090 0.000 0.620 507 A CB -1.277 17.759 19.000 0.061 0.000 0.822 507 A HN 0.389 nan 8.150 nan 0.000 0.443 508 A N -0.666 122.191 122.820 0.062 0.000 1.908 508 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 508 A C 2.439 180.053 177.584 0.051 0.000 1.181 508 A CA 2.292 54.354 52.037 0.042 0.000 0.627 508 A CB -1.132 17.884 19.000 0.026 0.000 0.818 508 A HN 0.630 nan 8.150 nan 0.000 0.445 509 S N -0.726 115.021 115.700 0.079 0.000 2.444 509 S HA -0.213 4.256 4.470 -0.000 0.000 0.225 509 S C 1.963 176.600 174.600 0.062 0.000 1.042 509 S CA 2.263 60.515 58.200 0.086 0.000 1.132 509 S CB -0.984 62.316 63.200 0.168 0.000 1.099 509 S HN 0.847 nan 8.310 nan 0.000 0.417 510 V N 2.320 122.272 119.914 0.064 0.000 2.317 510 V HA -0.210 3.910 4.120 -0.000 0.000 0.251 510 V C 2.577 178.686 176.094 0.024 0.000 1.065 510 V CA 2.587 64.907 62.300 0.033 0.000 1.049 510 V CB -1.478 30.356 31.823 0.018 0.000 0.651 510 V HN 0.685 nan 8.190 nan 0.000 0.450 511 A N 0.102 122.939 122.820 0.028 0.000 1.842 511 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 511 A C 2.482 180.075 177.584 0.016 0.000 1.206 511 A CA 2.420 54.468 52.037 0.019 0.000 0.630 511 A CB -1.770 17.242 19.000 0.021 0.000 0.839 511 A HN 0.751 nan 8.150 nan 0.000 0.447 512 G N -0.635 108.176 108.800 0.018 0.000 2.469 512 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 512 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 512 G C 1.438 176.345 174.900 0.012 0.000 1.150 512 G CA 1.313 46.422 45.100 0.014 0.000 0.763 512 G HN 0.377 nan 8.290 nan 0.000 0.561 513 L N 0.328 121.561 121.223 0.016 0.000 2.034 513 L HA -0.142 4.198 4.340 -0.000 0.000 0.217 513 L C 3.045 179.918 176.870 0.006 0.000 1.077 513 L CA 1.852 56.699 54.840 0.012 0.000 0.769 513 L CB -0.461 41.607 42.059 0.015 0.000 0.890 513 L HN 0.284 nan 8.230 nan 0.000 0.435 514 M N -1.716 117.887 119.600 0.005 0.000 2.077 514 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 514 M C 2.208 178.506 176.300 -0.002 0.000 1.070 514 M CA 1.692 56.992 55.300 -0.001 0.000 1.125 514 M CB -0.423 32.178 32.600 0.000 0.000 1.339 514 M HN 0.172 nan 8.290 nan 0.000 0.409 515 I N 0.351 120.922 120.570 0.002 0.000 2.479 515 I HA -0.270 3.900 4.170 -0.000 0.000 0.258 515 I C 1.909 178.027 176.117 0.002 0.000 1.165 515 I CA 1.599 62.900 61.300 0.002 0.000 1.422 515 I CB -0.785 37.218 38.000 0.005 0.000 1.087 515 I HN 0.468 nan 8.210 nan 0.000 0.441 516 T N -4.231 110.325 114.554 0.002 0.000 3.092 516 T HA 0.138 4.488 4.350 -0.000 0.000 0.258 516 T C 0.664 175.364 174.700 -0.000 0.000 1.031 516 T CA -0.251 61.851 62.100 0.003 0.000 0.925 516 T CB -0.240 68.631 68.868 0.005 0.000 1.036 516 T HN -0.018 nan 8.240 nan 0.000 0.544 517 T N 2.693 117.243 114.554 -0.007 0.000 2.832 517 T HA 0.304 4.654 4.350 -0.000 0.000 0.296 517 T C 0.557 175.244 174.700 -0.021 0.000 0.968 517 T CA -0.433 61.657 62.100 -0.018 0.000 1.107 517 T CB 1.376 70.230 68.868 -0.024 0.000 0.916 517 T HN 0.108 nan 8.240 nan 0.000 0.517 518 E N 0.351 120.535 120.200 -0.028 0.000 2.541 518 E HA 0.190 4.540 4.350 -0.000 0.000 0.219 518 E C 0.069 176.616 176.600 -0.089 0.000 0.922 518 E CA 0.046 56.439 56.400 -0.012 0.000 1.095 518 E CB 0.827 30.550 29.700 0.039 0.000 1.112 518 E HN 0.555 nan 8.360 nan 0.000 0.516 519 C N 0.415 119.612 119.300 -0.170 0.000 2.994 519 C HA 0.726 5.186 4.460 -0.000 0.000 0.305 519 C C -1.507 173.341 174.990 -0.237 0.000 1.251 519 C CA -0.516 58.281 59.018 -0.368 0.000 1.478 519 C CB 0.863 28.309 27.740 -0.490 0.000 1.922 519 C HN 0.143 nan 8.230 nan 0.000 0.472 520 M N 4.326 123.776 119.600 -0.250 0.000 2.271 520 M HA 0.535 5.015 4.480 -0.000 0.000 0.285 520 M C -1.242 175.142 176.300 0.141 0.000 1.059 520 M CA -0.434 54.855 55.300 -0.018 0.000 0.940 520 M CB 2.061 34.675 32.600 0.024 0.000 1.636 520 M HN 0.379 nan 8.290 nan 0.000 0.460 521 V N 1.150 121.135 119.914 0.118 0.000 2.680 521 V HA 0.922 5.042 4.120 -0.000 0.000 0.309 521 V C -0.225 175.874 176.094 0.009 0.000 1.052 521 V CA -0.363 61.984 62.300 0.078 0.000 0.908 521 V CB 2.194 34.021 31.823 0.007 0.000 1.001 521 V HN 0.963 nan 8.190 nan 0.000 0.431 522 T N 1.194 115.698 114.554 -0.082 0.000 2.686 522 T HA 0.273 4.623 4.350 -0.000 0.000 0.308 522 T C -1.825 172.771 174.700 -0.173 0.000 1.667 522 T CA -0.589 61.401 62.100 -0.182 0.000 0.987 522 T CB 1.787 70.419 68.868 -0.394 0.000 1.652 522 T HN 0.640 nan 8.240 nan 0.000 0.496 523 D N 1.188 121.490 120.400 -0.162 0.000 2.360 523 D HA 0.410 5.050 4.640 -0.000 0.000 0.242 523 D C 0.215 176.428 176.300 -0.144 0.000 1.184 523 D CA -0.100 53.829 54.000 -0.120 0.000 0.930 523 D CB 0.453 41.199 40.800 -0.091 0.000 1.161 523 D HN 0.422 nan 8.370 nan 0.000 0.447 524 L N 1.916 123.086 121.223 -0.089 0.000 2.395 524 L HA 0.271 4.611 4.340 -0.000 0.000 0.269 524 L C -1.238 175.590 176.870 -0.070 0.000 1.133 524 L CA -1.460 53.335 54.840 -0.074 0.000 0.812 524 L CB 0.253 42.290 42.059 -0.035 0.000 1.125 524 L HN 0.304 nan 8.230 nan 0.000 0.452 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.071 63.100 -0.049 0.000 0.800 525 P CB 0.000 31.681 31.700 -0.032 0.000 0.726