REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1sx4_1_J 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 0.000 177.580 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 3 A N 3.524 126.343 122.820 -0.001 0.000 2.546 3 A HA 0.521 4.841 4.320 0.000 0.000 0.243 3 A C 0.538 178.123 177.584 0.000 0.000 1.063 3 A CA 0.308 52.348 52.037 0.005 0.000 0.757 3 A CB 0.113 19.119 19.000 0.010 0.000 0.991 3 A HN 0.646 nan 8.150 nan 0.000 0.503 4 K N 1.400 121.803 120.400 0.004 0.000 2.177 4 K HA 0.432 4.752 4.320 0.000 0.000 0.238 4 K C -0.992 175.625 176.600 0.029 0.000 1.015 4 K CA -0.686 55.600 56.287 -0.002 0.000 0.922 4 K CB 0.910 33.402 32.500 -0.013 0.000 1.127 4 K HN 0.696 nan 8.250 nan 0.000 0.469 5 D N 0.744 121.168 120.400 0.040 0.000 2.408 5 D HA 0.321 4.961 4.640 0.000 0.000 0.243 5 D C -1.391 175.027 176.300 0.196 0.000 1.075 5 D CA -0.628 53.450 54.000 0.131 0.000 0.832 5 D CB 1.335 42.244 40.800 0.181 0.000 1.162 5 D HN 0.083 nan 8.370 nan 0.000 0.515 6 V N 4.053 124.058 119.914 0.150 0.000 2.448 6 V HA 0.471 4.591 4.120 0.000 0.000 0.295 6 V C 0.203 176.262 176.094 -0.059 0.000 1.025 6 V CA -0.782 61.533 62.300 0.025 0.000 0.859 6 V CB 1.718 33.503 31.823 -0.064 0.000 0.988 6 V HN 0.385 nan 8.190 nan 0.000 0.431 7 K N 3.032 123.316 120.400 -0.193 0.000 2.259 7 K HA 0.761 5.081 4.320 0.000 0.000 0.249 7 K C -1.605 174.741 176.600 -0.424 0.000 0.942 7 K CA -0.491 55.612 56.287 -0.307 0.000 0.816 7 K CB 2.048 34.165 32.500 -0.639 0.000 1.155 7 K HN 0.494 nan 8.250 nan 0.000 0.428 8 F N 0.355 120.262 119.950 -0.071 0.000 2.561 8 F HA 0.358 4.885 4.527 0.000 0.000 0.321 8 F C 1.282 177.058 175.800 -0.041 0.000 1.065 8 F CA 0.174 58.152 58.000 -0.036 0.000 0.934 8 F CB 1.890 40.877 39.000 -0.022 0.000 1.215 8 F HN 0.821 nan 8.300 nan 0.000 0.471 9 G N 2.260 111.187 108.800 0.211 0.000 2.693 9 G HA2 -0.503 3.457 3.960 0.000 0.000 0.354 9 G HA3 -0.503 3.457 3.960 0.000 0.000 0.354 9 G C 1.255 176.189 174.900 0.056 0.000 1.207 9 G CA 1.477 46.647 45.100 0.115 0.000 0.958 9 G HN 0.679 nan 8.290 nan 0.000 0.560 10 N N 1.378 120.103 118.700 0.041 0.000 2.013 10 N HA -0.069 4.671 4.740 0.000 0.000 0.195 10 N C 1.929 177.430 175.510 -0.015 0.000 1.051 10 N CA 2.069 55.125 53.050 0.011 0.000 0.851 10 N CB -0.479 38.011 38.487 0.006 0.000 1.044 10 N HN 0.582 nan 8.380 nan 0.000 0.422 11 D N 0.593 120.978 120.400 -0.025 0.000 2.177 11 D HA -0.256 4.384 4.640 0.000 0.000 0.189 11 D C 1.827 178.050 176.300 -0.129 0.000 1.002 11 D CA 1.723 55.672 54.000 -0.084 0.000 0.845 11 D CB -1.006 39.729 40.800 -0.108 0.000 0.960 11 D HN 0.347 nan 8.370 nan 0.000 0.447 12 A N 1.449 124.190 122.820 -0.131 0.000 1.894 12 A HA -0.333 3.987 4.320 0.000 0.000 0.220 12 A C 2.219 179.766 177.584 -0.061 0.000 1.237 12 A CA 2.777 54.734 52.037 -0.133 0.000 0.660 12 A CB -0.824 18.134 19.000 -0.070 0.000 0.835 12 A HN 0.273 nan 8.150 nan 0.000 0.461 13 R N -1.105 119.380 120.500 -0.025 0.000 2.092 13 R HA -0.023 4.317 4.340 0.000 0.000 0.231 13 R C 2.064 178.358 176.300 -0.009 0.000 1.119 13 R CA 1.194 57.292 56.100 -0.004 0.000 0.970 13 R CB -0.769 29.534 30.300 0.006 0.000 0.864 13 R HN 0.395 nan 8.270 nan 0.000 0.440 14 V N 1.972 121.872 119.914 -0.023 0.000 2.252 14 V HA -0.307 3.813 4.120 0.000 0.000 0.249 14 V C 2.296 178.379 176.094 -0.018 0.000 1.056 14 V CA 1.802 64.090 62.300 -0.021 0.000 1.022 14 V CB -0.393 31.413 31.823 -0.028 0.000 0.641 14 V HN 0.213 nan 8.190 nan 0.000 0.445 15 K N -0.634 119.742 120.400 -0.040 0.000 2.059 15 K HA -0.186 4.134 4.320 0.000 0.000 0.212 15 K C 2.079 178.701 176.600 0.037 0.000 1.050 15 K CA 1.819 58.100 56.287 -0.009 0.000 0.927 15 K CB -0.721 31.743 32.500 -0.059 0.000 0.714 15 K HN 0.416 nan 8.250 nan 0.000 0.447 16 M N 0.030 119.652 119.600 0.036 0.000 2.202 16 M HA -0.194 4.286 4.480 0.000 0.000 0.262 16 M C 2.089 178.409 176.300 0.033 0.000 1.063 16 M CA 1.079 56.408 55.300 0.047 0.000 1.097 16 M CB -0.238 32.387 32.600 0.041 0.000 1.382 16 M HN 0.070 nan 8.290 nan 0.000 0.413 17 L N 0.396 121.631 121.223 0.021 0.000 2.007 17 L HA -0.125 4.215 4.340 0.000 0.000 0.205 17 L C 2.431 179.311 176.870 0.018 0.000 1.073 17 L CA 1.773 56.623 54.840 0.017 0.000 0.744 17 L CB -0.588 41.477 42.059 0.010 0.000 0.898 17 L HN 0.128 nan 8.230 nan 0.000 0.435 18 R N -0.064 120.446 120.500 0.017 0.000 2.080 18 R HA -0.127 4.213 4.340 0.000 0.000 0.236 18 R C 2.191 178.505 176.300 0.023 0.000 1.137 18 R CA 1.328 57.438 56.100 0.018 0.000 0.943 18 R CB -1.522 28.789 30.300 0.018 0.000 0.846 18 R HN 0.585 nan 8.270 nan 0.000 0.431 19 G N 1.522 110.341 108.800 0.032 0.000 2.719 19 G HA2 -0.365 3.595 3.960 0.000 0.000 0.219 19 G HA3 -0.365 3.595 3.960 0.000 0.000 0.219 19 G C 1.481 176.396 174.900 0.024 0.000 1.234 19 G CA 1.593 46.713 45.100 0.034 0.000 0.788 19 G HN 0.328 nan 8.290 nan 0.000 0.619 20 V N 1.164 121.092 119.914 0.024 0.000 2.332 20 V HA -0.267 3.853 4.120 0.000 0.000 0.248 20 V C 2.267 178.370 176.094 0.015 0.000 1.055 20 V CA 2.987 65.298 62.300 0.019 0.000 1.038 20 V CB -0.921 30.914 31.823 0.020 0.000 0.651 20 V HN 0.559 nan 8.190 nan 0.000 0.450 21 N N -0.216 118.494 118.700 0.015 0.000 2.061 21 N HA -0.194 4.546 4.740 0.000 0.000 0.193 21 N C 1.820 177.337 175.510 0.011 0.000 1.030 21 N CA 1.978 55.035 53.050 0.013 0.000 0.856 21 N CB -0.386 38.108 38.487 0.012 0.000 1.023 21 N HN 0.452 nan 8.380 nan 0.000 0.424 22 V N 1.643 121.565 119.914 0.012 0.000 2.287 22 V HA -0.244 3.876 4.120 0.000 0.000 0.248 22 V C 2.244 178.343 176.094 0.009 0.000 1.053 22 V CA 1.409 63.715 62.300 0.010 0.000 1.027 22 V CB -0.593 31.237 31.823 0.012 0.000 0.646 22 V HN 0.388 nan 8.190 nan 0.000 0.447 23 L N -0.142 121.086 121.223 0.009 0.000 1.956 23 L HA -0.277 4.063 4.340 0.000 0.000 0.216 23 L C 2.642 179.516 176.870 0.006 0.000 1.073 23 L CA 2.602 57.446 54.840 0.006 0.000 0.762 23 L CB -0.866 41.197 42.059 0.006 0.000 0.889 23 L HN 0.402 nan 8.230 nan 0.000 0.433 24 A N -0.486 122.338 122.820 0.008 0.000 1.908 24 A HA -0.257 4.063 4.320 0.000 0.000 0.218 24 A C 1.744 179.333 177.584 0.007 0.000 1.181 24 A CA 2.095 54.137 52.037 0.008 0.000 0.627 24 A CB -0.628 18.378 19.000 0.010 0.000 0.818 24 A HN 0.579 nan 8.150 nan 0.000 0.445 25 D N -0.184 120.220 120.400 0.008 0.000 2.269 25 D HA 0.084 4.724 4.640 0.000 0.000 0.208 25 D C 1.994 178.298 176.300 0.006 0.000 0.963 25 D CA 1.160 55.165 54.000 0.007 0.000 0.864 25 D CB -0.269 40.536 40.800 0.007 0.000 0.936 25 D HN 0.464 nan 8.370 nan 0.000 0.505 26 A N 0.274 123.097 122.820 0.005 0.000 2.016 26 A HA -0.015 4.305 4.320 0.000 0.000 0.217 26 A C 2.207 179.793 177.584 0.003 0.000 1.162 26 A CA 0.607 52.646 52.037 0.004 0.000 0.662 26 A CB -0.173 18.829 19.000 0.004 0.000 0.812 26 A HN 0.185 nan 8.150 nan 0.000 0.450 27 V N 0.457 120.373 119.914 0.003 0.000 3.307 27 V HA -0.032 4.088 4.120 0.000 0.000 0.253 27 V C 2.202 178.297 176.094 0.003 0.000 1.149 27 V CA 1.629 63.930 62.300 0.002 0.000 1.112 27 V CB -0.231 31.592 31.823 -0.000 0.000 0.777 27 V HN 0.767 nan 8.190 nan 0.000 0.464 28 K N 0.597 120.999 120.400 0.005 0.000 2.365 28 K HA -0.005 4.315 4.320 0.000 0.000 0.197 28 K C 1.479 178.083 176.600 0.007 0.000 1.042 28 K CA 1.553 57.844 56.287 0.006 0.000 0.987 28 K CB -0.232 32.273 32.500 0.008 0.000 0.779 28 K HN 0.470 nan 8.250 nan 0.000 0.484 29 V N -0.164 119.754 119.914 0.006 0.000 3.305 29 V HA -0.043 4.077 4.120 0.000 0.000 0.269 29 V C 1.546 177.643 176.094 0.005 0.000 1.157 29 V CA 1.261 63.564 62.300 0.006 0.000 1.157 29 V CB -0.964 30.862 31.823 0.005 0.000 0.772 29 V HN 0.476 nan 8.190 nan 0.000 0.498 30 T N -3.122 111.434 114.554 0.004 0.000 3.214 30 T HA 0.316 4.666 4.350 0.000 0.000 0.264 30 T C 1.149 175.850 174.700 0.001 0.000 1.012 30 T CA 0.312 62.413 62.100 0.002 0.000 0.901 30 T CB 0.643 69.511 68.868 0.000 0.000 1.070 30 T HN 0.334 nan 8.240 nan 0.000 0.561 31 L N 2.008 123.233 121.223 0.004 0.000 2.102 31 L HA 0.502 4.842 4.340 0.000 0.000 0.202 31 L C 1.541 178.413 176.870 0.002 0.000 1.076 31 L CA 1.078 55.921 54.840 0.004 0.000 0.761 31 L CB -1.099 40.964 42.059 0.008 0.000 0.921 31 L HN 0.373 nan 8.230 nan 0.000 0.444 32 G N -0.360 108.443 108.800 0.005 0.000 2.527 32 G HA2 0.101 4.061 3.960 0.000 0.000 0.279 32 G HA3 0.101 4.061 3.960 0.000 0.000 0.279 32 G C -1.603 173.290 174.900 -0.011 0.000 1.374 32 G CA 0.199 45.299 45.100 0.000 0.000 1.053 32 G HN 0.363 nan 8.290 nan 0.000 0.539 33 P HA 0.073 nan 4.420 nan 0.000 0.237 33 P C 0.362 177.648 177.300 -0.023 0.000 1.178 33 P CA 0.984 64.067 63.100 -0.029 0.000 0.766 33 P CB 0.382 32.053 31.700 -0.049 0.000 0.876 34 K N 0.344 120.735 120.400 -0.015 0.000 3.237 34 K HA 0.342 4.662 4.320 0.000 0.000 0.197 34 K C 0.727 177.326 176.600 -0.002 0.000 1.133 34 K CA -0.386 55.896 56.287 -0.009 0.000 0.944 34 K CB 0.908 33.403 32.500 -0.008 0.000 0.952 34 K HN 0.008 nan 8.250 nan 0.000 0.515 35 G N 0.580 109.379 108.800 -0.002 0.000 2.563 35 G HA2 0.281 4.241 3.960 0.000 0.000 0.283 35 G HA3 0.281 4.241 3.960 0.000 0.000 0.283 35 G C 0.001 174.901 174.900 0.001 0.000 1.309 35 G CA -0.472 44.628 45.100 0.001 0.000 1.022 35 G HN 0.119 nan 8.290 nan 0.000 0.501 36 R N -0.573 119.928 120.500 0.002 0.000 2.797 36 R HA 0.350 4.690 4.340 0.000 0.000 0.251 36 R C -0.180 176.121 176.300 0.002 0.000 1.107 36 R CA -0.917 55.185 56.100 0.002 0.000 1.084 36 R CB 0.409 30.711 30.300 0.004 0.000 1.205 36 R HN 0.558 nan 8.270 nan 0.000 0.515 37 N N 0.016 118.717 118.700 0.002 0.000 2.498 37 N HA 0.267 5.007 4.740 0.000 0.000 0.287 37 N C -0.680 174.831 175.510 0.002 0.000 1.097 37 N CA -0.359 52.692 53.050 0.002 0.000 0.973 37 N CB 1.884 40.372 38.487 0.002 0.000 1.153 37 N HN 0.068 nan 8.380 nan 0.000 0.472 38 V N 1.781 121.697 119.914 0.002 0.000 2.513 38 V HA 0.311 4.431 4.120 0.000 0.000 0.299 38 V C 0.105 176.201 176.094 0.003 0.000 1.035 38 V CA -0.817 61.485 62.300 0.003 0.000 0.889 38 V CB 2.130 33.955 31.823 0.003 0.000 0.988 38 V HN 0.311 nan 8.190 nan 0.000 0.440 39 V N 5.891 125.807 119.914 0.003 0.000 2.394 39 V HA 0.424 4.544 4.120 0.000 0.000 0.282 39 V C -0.558 175.538 176.094 0.004 0.000 1.031 39 V CA -0.510 61.792 62.300 0.004 0.000 0.881 39 V CB 1.436 33.261 31.823 0.003 0.000 0.982 39 V HN 0.505 nan 8.190 nan 0.000 0.451 40 L N 4.398 125.624 121.223 0.006 0.000 2.324 40 L HA 0.480 4.820 4.340 0.000 0.000 0.274 40 L C -0.027 176.849 176.870 0.010 0.000 1.012 40 L CA -0.322 54.523 54.840 0.008 0.000 0.859 40 L CB 0.986 43.050 42.059 0.009 0.000 1.224 40 L HN 0.589 nan 8.230 nan 0.000 0.429 41 D N 3.286 123.690 120.400 0.008 0.000 2.400 41 D HA 0.135 4.775 4.640 0.000 0.000 0.238 41 D C -0.162 176.148 176.300 0.017 0.000 1.157 41 D CA 0.492 54.497 54.000 0.008 0.000 0.889 41 D CB 0.825 41.625 40.800 0.000 0.000 1.199 41 D HN 0.279 nan 8.370 nan 0.000 0.436 42 K N 2.106 122.521 120.400 0.025 0.000 2.535 42 K HA 0.183 4.503 4.320 0.000 0.000 0.250 42 K C 0.655 177.294 176.600 0.066 0.000 0.948 42 K CA -0.539 55.778 56.287 0.049 0.000 0.796 42 K CB 1.424 33.956 32.500 0.053 0.000 1.216 42 K HN 0.385 nan 8.250 nan 0.000 0.432 43 S N 2.911 118.668 115.700 0.094 0.000 2.452 43 S HA -0.178 4.292 4.470 0.000 0.000 0.253 43 S C 0.431 175.042 174.600 0.018 0.000 1.061 43 S CA 1.623 59.862 58.200 0.064 0.000 1.273 43 S CB -0.305 63.039 63.200 0.241 0.000 1.191 43 S HN 0.469 nan 8.310 nan 0.000 0.430 44 F N 0.774 120.724 119.950 -0.001 0.000 2.379 44 F HA 0.595 5.122 4.527 0.000 0.000 0.332 44 F C 1.168 176.967 175.800 -0.001 0.000 1.096 44 F CA -0.153 57.846 58.000 -0.001 0.000 1.105 44 F CB 0.213 39.212 39.000 -0.002 0.000 1.189 44 F HN 0.601 nan 8.300 nan 0.000 0.515 45 G N 0.447 109.343 108.800 0.159 0.000 2.681 45 G HA2 0.241 4.201 3.960 0.000 0.000 0.220 45 G HA3 0.241 4.201 3.960 0.000 0.000 0.220 45 G C -0.826 174.105 174.900 0.053 0.000 1.353 45 G CA -0.663 44.492 45.100 0.092 0.000 0.872 45 G HN 1.160 nan 8.290 nan 0.000 0.557 46 A N 1.037 123.880 122.820 0.040 0.000 2.302 46 A HA 0.829 5.149 4.320 0.000 0.000 0.285 46 A C -0.841 176.757 177.584 0.024 0.000 1.105 46 A CA -0.197 51.854 52.037 0.025 0.000 0.816 46 A CB 0.081 19.093 19.000 0.020 0.000 1.067 46 A HN 0.925 nan 8.150 nan 0.000 0.489 47 P HA 0.200 nan 4.420 nan 0.000 0.272 47 P C -0.304 177.004 177.300 0.015 0.000 1.254 47 P CA 0.038 63.147 63.100 0.015 0.000 0.795 47 P CB 0.282 31.987 31.700 0.008 0.000 1.022 48 T N 0.835 115.397 114.554 0.013 0.000 2.779 48 T HA 0.516 4.866 4.350 0.000 0.000 0.280 48 T C 0.136 174.841 174.700 0.008 0.000 0.987 48 T CA -0.370 61.737 62.100 0.012 0.000 0.966 48 T CB 0.029 68.905 68.868 0.013 0.000 0.933 48 T HN 0.158 nan 8.240 nan 0.000 0.442 49 I N 2.925 123.499 120.570 0.007 0.000 2.359 49 I HA 0.588 4.758 4.170 0.000 0.000 0.294 49 I C 0.508 176.628 176.117 0.004 0.000 0.987 49 I CA -0.542 60.761 61.300 0.005 0.000 1.225 49 I CB 1.713 39.715 38.000 0.004 0.000 1.366 49 I HN 0.475 nan 8.210 nan 0.000 0.466 50 T N 4.118 118.674 114.554 0.003 0.000 2.853 50 T HA 0.347 4.697 4.350 0.000 0.000 0.311 50 T C -0.258 174.443 174.700 0.001 0.000 1.307 50 T CA -0.596 61.506 62.100 0.002 0.000 1.019 50 T CB 1.866 70.735 68.868 0.003 0.000 1.264 50 T HN 0.718 nan 8.240 nan 0.000 0.497 51 K N 1.072 121.472 120.400 0.000 0.000 2.469 51 K HA 0.197 4.517 4.320 0.000 0.000 0.204 51 K C -0.692 175.907 176.600 -0.002 0.000 1.047 51 K CA -0.223 56.063 56.287 -0.001 0.000 1.072 51 K CB 0.514 33.012 32.500 -0.002 0.000 0.863 51 K HN 0.477 nan 8.250 nan 0.000 0.530 52 D N -0.001 120.398 120.400 -0.002 0.000 2.443 52 D HA 0.111 4.751 4.640 0.000 0.000 0.221 52 D C 1.113 177.411 176.300 -0.004 0.000 1.097 52 D CA -0.309 53.689 54.000 -0.003 0.000 0.865 52 D CB 1.279 42.078 40.800 -0.002 0.000 1.034 52 D HN 0.181 nan 8.370 nan 0.000 0.511 53 G N 2.469 111.266 108.800 -0.005 0.000 2.485 53 G HA2 -0.233 3.727 3.960 0.000 0.000 0.221 53 G HA3 -0.233 3.727 3.960 0.000 0.000 0.221 53 G C 1.468 176.362 174.900 -0.009 0.000 1.115 53 G CA 0.783 45.879 45.100 -0.006 0.000 0.751 53 G HN 0.478 nan 8.290 nan 0.000 0.567 54 V N 0.809 120.716 119.914 -0.011 0.000 2.358 54 V HA -0.173 3.947 4.120 0.000 0.000 0.246 54 V C 3.081 179.169 176.094 -0.010 0.000 1.047 54 V CA 2.127 64.418 62.300 -0.015 0.000 1.035 54 V CB -0.463 31.349 31.823 -0.018 0.000 0.658 54 V HN 0.382 nan 8.190 nan 0.000 0.452 55 S N -0.102 115.595 115.700 -0.006 0.000 2.365 55 S HA -0.210 4.260 4.470 0.000 0.000 0.225 55 S C 1.997 176.596 174.600 -0.001 0.000 1.039 55 S CA 1.760 59.959 58.200 -0.002 0.000 1.033 55 S CB -0.324 62.876 63.200 0.000 0.000 0.887 55 S HN 0.373 nan 8.310 nan 0.000 0.447 56 V N 2.014 121.927 119.914 -0.002 0.000 2.237 56 V HA -0.225 3.895 4.120 0.000 0.000 0.245 56 V C 2.677 178.770 176.094 -0.002 0.000 1.046 56 V CA 1.745 64.044 62.300 -0.001 0.000 1.007 56 V CB -1.378 30.444 31.823 -0.000 0.000 0.638 56 V HN 0.549 nan 8.190 nan 0.000 0.445 57 A N 0.402 123.219 122.820 -0.005 0.000 1.896 57 A HA -0.391 3.929 4.320 0.000 0.000 0.220 57 A C 2.356 179.936 177.584 -0.006 0.000 1.206 57 A CA 2.895 54.928 52.037 -0.007 0.000 0.647 57 A CB -0.800 18.193 19.000 -0.012 0.000 0.828 57 A HN 0.568 nan 8.150 nan 0.000 0.455 58 R N -0.811 119.685 120.500 -0.007 0.000 2.139 58 R HA -0.206 4.134 4.340 0.000 0.000 0.243 58 R C 1.665 177.964 176.300 -0.003 0.000 1.145 58 R CA 1.974 58.070 56.100 -0.006 0.000 0.976 58 R CB -0.216 30.081 30.300 -0.004 0.000 0.866 58 R HN 0.432 nan 8.270 nan 0.000 0.449 59 E N -0.053 120.147 120.200 -0.000 0.000 2.435 59 E HA 0.085 4.435 4.350 0.000 0.000 0.195 59 E C -0.226 176.375 176.600 0.001 0.000 1.029 59 E CA 0.145 56.547 56.400 0.002 0.000 0.865 59 E CB 0.232 29.934 29.700 0.004 0.000 0.833 59 E HN 0.227 nan 8.360 nan 0.000 0.510 60 I N 2.064 122.634 120.570 -0.000 0.000 2.436 60 I HA 0.151 4.321 4.170 0.000 0.000 0.289 60 I C 0.235 176.351 176.117 -0.000 0.000 1.083 60 I CA 0.152 61.453 61.300 0.001 0.000 1.372 60 I CB 0.236 38.237 38.000 0.001 0.000 1.408 60 I HN 0.037 nan 8.210 nan 0.000 0.516 61 E N 7.697 127.897 120.200 0.000 0.000 2.290 61 E HA 0.539 4.889 4.350 0.000 0.000 0.274 61 E C -1.813 174.788 176.600 0.001 0.000 0.889 61 E CA -0.620 55.779 56.400 -0.001 0.000 0.760 61 E CB 1.888 31.586 29.700 -0.004 0.000 1.206 61 E HN 0.458 nan 8.360 nan 0.000 0.419 62 L N 3.245 124.470 121.223 0.003 0.000 2.358 62 L HA 0.407 4.747 4.340 0.000 0.000 0.268 62 L C 1.532 178.406 176.870 0.007 0.000 1.032 62 L CA -0.615 54.230 54.840 0.008 0.000 0.805 62 L CB 1.364 43.433 42.059 0.017 0.000 1.253 62 L HN 0.756 nan 8.230 nan 0.000 0.452 63 E N 0.294 120.501 120.200 0.012 0.000 2.028 63 E HA -0.167 4.183 4.350 0.000 0.000 0.190 63 E C 0.416 177.026 176.600 0.016 0.000 0.984 63 E CA 0.537 56.943 56.400 0.010 0.000 0.800 63 E CB 0.222 29.929 29.700 0.012 0.000 0.758 63 E HN 0.628 nan 8.360 nan 0.000 0.448 64 D N 1.680 122.102 120.400 0.037 0.000 2.389 64 D HA -0.049 4.591 4.640 0.000 0.000 0.263 64 D C -0.334 176.000 176.300 0.058 0.000 1.255 64 D CA 0.245 54.289 54.000 0.073 0.000 0.914 64 D CB 0.536 41.394 40.800 0.097 0.000 1.116 64 D HN 0.097 nan 8.370 nan 0.000 0.502 65 K N 2.858 123.258 120.400 0.000 0.000 2.159 65 K HA 0.065 4.385 4.320 0.000 0.000 0.242 65 K C 0.816 177.400 176.600 -0.028 0.000 1.043 65 K CA -0.483 55.731 56.287 -0.122 0.000 0.856 65 K CB 0.575 32.890 32.500 -0.307 0.000 1.072 65 K HN 0.397 nan 8.250 nan 0.000 0.514 66 F N -1.253 118.686 119.950 -0.018 0.000 2.527 66 F HA -0.368 4.159 4.527 0.000 0.000 0.750 66 F C 2.007 177.800 175.800 -0.013 0.000 0.485 66 F CA 1.802 59.791 58.000 -0.020 0.000 0.762 66 F CB -1.439 37.549 39.000 -0.020 0.000 1.612 66 F HN 0.747 nan 8.300 nan 0.000 0.278 67 E N 0.205 120.544 120.200 0.232 0.000 2.086 67 E HA -0.331 4.019 4.350 0.000 0.000 0.205 67 E C 1.634 178.277 176.600 0.071 0.000 1.027 67 E CA 2.012 58.480 56.400 0.113 0.000 0.830 67 E CB -0.396 29.357 29.700 0.088 0.000 0.751 67 E HN 0.505 nan 8.360 nan 0.000 0.456 68 N N -0.170 118.560 118.700 0.051 0.000 2.120 68 N HA -0.159 4.581 4.740 0.000 0.000 0.188 68 N C 1.804 177.319 175.510 0.009 0.000 1.024 68 N CA 1.472 54.532 53.050 0.016 0.000 0.852 68 N CB -0.006 38.476 38.487 -0.009 0.000 1.003 68 N HN 0.107 nan 8.380 nan 0.000 0.424 69 M N -0.524 119.080 119.600 0.007 0.000 2.108 69 M HA -0.085 4.395 4.480 0.000 0.000 0.261 69 M C 2.230 178.545 176.300 0.024 0.000 1.066 69 M CA 1.654 56.955 55.300 0.001 0.000 1.107 69 M CB -0.792 31.806 32.600 -0.005 0.000 1.356 69 M HN 0.360 nan 8.290 nan 0.000 0.406 70 G N 0.276 109.103 108.800 0.046 0.000 2.514 70 G HA2 -0.213 3.748 3.960 0.000 0.000 0.217 70 G HA3 -0.213 3.748 3.960 0.000 0.000 0.217 70 G C 1.626 176.541 174.900 0.024 0.000 1.198 70 G CA 1.243 46.366 45.100 0.039 0.000 0.780 70 G HN 0.551 nan 8.290 nan 0.000 0.565 71 A N -0.406 122.427 122.820 0.021 0.000 1.933 71 A HA -0.067 4.253 4.320 0.000 0.000 0.218 71 A C 2.390 179.978 177.584 0.006 0.000 1.175 71 A CA 2.006 54.051 52.037 0.013 0.000 0.628 71 A CB -0.338 18.669 19.000 0.011 0.000 0.814 71 A HN 0.331 nan 8.150 nan 0.000 0.444 72 Q N -0.940 118.862 119.800 0.003 0.000 2.230 72 Q HA -0.012 4.328 4.340 0.000 0.000 0.202 72 Q C 2.019 178.017 176.000 -0.003 0.000 0.963 72 Q CA 1.246 57.046 55.803 -0.005 0.000 0.866 72 Q CB -0.375 28.357 28.738 -0.011 0.000 0.931 72 Q HN 0.792 nan 8.270 nan 0.000 0.452 73 M N -0.809 118.794 119.600 0.005 0.000 2.156 73 M HA -0.120 4.360 4.480 0.000 0.000 0.264 73 M C 2.174 178.481 176.300 0.011 0.000 1.067 73 M CA 0.935 56.241 55.300 0.010 0.000 1.131 73 M CB -0.093 32.518 32.600 0.018 0.000 1.368 73 M HN -0.063 nan 8.290 nan 0.000 0.416 74 V N 0.440 120.361 119.914 0.012 0.000 2.270 74 V HA -0.271 3.849 4.120 0.000 0.000 0.245 74 V C 2.172 178.263 176.094 -0.005 0.000 1.043 74 V CA 1.757 64.064 62.300 0.011 0.000 1.014 74 V CB -0.713 31.118 31.823 0.014 0.000 0.645 74 V HN 0.415 nan 8.190 nan 0.000 0.447 75 K N -0.211 120.183 120.400 -0.009 0.000 2.077 75 K HA -0.315 4.005 4.320 0.000 0.000 0.213 75 K C 2.265 178.843 176.600 -0.036 0.000 1.051 75 K CA 2.240 58.514 56.287 -0.021 0.000 0.929 75 K CB -0.286 32.204 32.500 -0.017 0.000 0.715 75 K HN 0.520 nan 8.250 nan 0.000 0.451 76 E N 0.286 120.469 120.200 -0.028 0.000 2.085 76 E HA -0.201 4.149 4.350 0.000 0.000 0.194 76 E C 1.944 178.499 176.600 -0.074 0.000 0.994 76 E CA 1.317 57.694 56.400 -0.038 0.000 0.801 76 E CB 0.112 29.801 29.700 -0.018 0.000 0.743 76 E HN 0.113 nan 8.360 nan 0.000 0.453 77 V N 0.005 119.882 119.914 -0.062 0.000 2.725 77 V HA -0.008 4.112 4.120 0.000 0.000 0.247 77 V C 2.057 178.003 176.094 -0.246 0.000 1.058 77 V CA 1.344 63.583 62.300 -0.101 0.000 1.080 77 V CB 0.201 32.062 31.823 0.063 0.000 0.713 77 V HN 0.374 nan 8.190 nan 0.000 0.465 78 A N -0.659 122.084 122.820 -0.130 0.000 1.930 78 A HA -0.176 4.144 4.320 0.000 0.000 0.217 78 A C 2.526 180.006 177.584 -0.173 0.000 1.175 78 A CA 1.996 53.957 52.037 -0.127 0.000 0.627 78 A CB -0.755 18.211 19.000 -0.056 0.000 0.815 78 A HN 0.593 nan 8.150 nan 0.000 0.443 79 S N 0.022 115.631 115.700 -0.153 0.000 2.382 79 S HA -0.189 4.281 4.470 0.000 0.000 0.228 79 S C 1.933 176.403 174.600 -0.216 0.000 1.027 79 S CA 1.665 59.776 58.200 -0.148 0.000 0.991 79 S CB -0.357 62.785 63.200 -0.097 0.000 0.823 79 S HN 0.618 nan 8.310 nan 0.000 0.469 80 K N 1.203 121.403 120.400 -0.333 0.000 2.057 80 K HA 0.039 4.359 4.320 0.000 0.000 0.206 80 K C 2.539 178.803 176.600 -0.560 0.000 1.050 80 K CA 1.028 57.056 56.287 -0.432 0.000 0.935 80 K CB -0.582 31.586 32.500 -0.553 0.000 0.715 80 K HN 0.455 nan 8.250 nan 0.000 0.439 81 A N 2.902 125.251 122.820 -0.785 0.000 1.859 81 A HA -0.310 4.010 4.320 0.000 0.000 0.218 81 A C 2.124 179.599 177.584 -0.180 0.000 1.209 81 A CA 2.151 53.954 52.037 -0.391 0.000 0.639 81 A CB -1.048 17.841 19.000 -0.184 0.000 0.835 81 A HN 0.381 nan 8.150 nan 0.000 0.450 82 N N -0.066 118.532 118.700 -0.170 0.000 2.137 82 N HA -0.212 4.528 4.740 0.000 0.000 0.190 82 N C 1.181 176.606 175.510 -0.142 0.000 1.017 82 N CA 1.925 54.892 53.050 -0.138 0.000 0.859 82 N CB -0.462 37.950 38.487 -0.124 0.000 1.002 82 N HN 0.437 nan 8.380 nan 0.000 0.428 83 D N 0.029 120.344 120.400 -0.140 0.000 2.149 83 D HA -0.070 4.570 4.640 0.000 0.000 0.198 83 D C 1.363 177.627 176.300 -0.060 0.000 0.990 83 D CA 1.192 55.134 54.000 -0.097 0.000 0.839 83 D CB -0.106 40.640 40.800 -0.089 0.000 0.948 83 D HN 0.450 nan 8.370 nan 0.000 0.460 84 A N -0.675 122.120 122.820 -0.043 0.000 2.220 84 A HA 0.496 4.816 4.320 0.000 0.000 0.211 84 A C 1.752 179.342 177.584 0.010 0.000 1.176 84 A CA 0.932 52.979 52.037 0.017 0.000 0.834 84 A CB 0.516 19.570 19.000 0.090 0.000 0.868 84 A HN 0.179 nan 8.150 nan 0.000 0.488 85 A N -2.565 120.234 122.820 -0.034 0.000 2.140 85 A HA 0.487 4.807 4.320 0.000 0.000 0.199 85 A C 1.551 179.076 177.584 -0.100 0.000 1.416 85 A CA 1.083 53.101 52.037 -0.031 0.000 1.018 85 A CB 0.025 19.024 19.000 -0.001 0.000 1.117 85 A HN 1.729 nan 8.150 nan 0.000 0.480 86 G N -1.041 107.634 108.800 -0.209 0.000 2.148 86 G HA2 0.008 3.968 3.960 0.000 0.000 0.203 86 G HA3 0.008 3.968 3.960 0.000 0.000 0.203 86 G C -0.387 174.385 174.900 -0.213 0.000 0.993 86 G CA 0.364 45.231 45.100 -0.388 0.000 0.661 86 G HN 0.777 nan 8.290 nan 0.000 0.518 87 D N -2.877 117.445 120.400 -0.131 0.000 2.926 87 D HA 0.564 5.204 4.640 0.000 0.000 0.272 87 D C 0.869 177.136 176.300 -0.055 0.000 1.172 87 D CA 1.407 55.361 54.000 -0.077 0.000 0.731 87 D CB 0.453 41.224 40.800 -0.049 0.000 1.282 87 D HN 1.342 nan 8.370 nan 0.000 0.430 88 G N -0.322 108.455 108.800 -0.038 0.000 2.352 88 G HA2 -0.294 3.666 3.960 0.000 0.000 0.204 88 G HA3 -0.294 3.666 3.960 0.000 0.000 0.204 88 G C 1.195 176.080 174.900 -0.026 0.000 1.004 88 G CA 1.091 46.179 45.100 -0.020 0.000 0.648 88 G HN 0.736 nan 8.290 nan 0.000 0.491 89 T N 0.966 115.491 114.554 -0.047 0.000 2.684 89 T HA -0.330 4.020 4.350 0.000 0.000 0.259 89 T C 2.200 176.882 174.700 -0.029 0.000 1.086 89 T CA 2.939 65.009 62.100 -0.050 0.000 1.155 89 T CB -1.116 67.720 68.868 -0.052 0.000 0.848 89 T HN 0.548 nan 8.240 nan 0.000 0.464 90 T N 1.257 115.799 114.554 -0.020 0.000 2.851 90 T HA -0.045 4.305 4.350 0.000 0.000 0.262 90 T C 2.377 177.076 174.700 -0.002 0.000 1.043 90 T CA 1.511 63.605 62.100 -0.010 0.000 1.140 90 T CB -0.680 68.184 68.868 -0.007 0.000 0.872 90 T HN 0.487 nan 8.240 nan 0.000 0.446 91 T N 2.290 116.845 114.554 0.001 0.000 2.652 91 T HA -0.103 4.247 4.350 0.000 0.000 0.267 91 T C 2.399 177.108 174.700 0.016 0.000 1.039 91 T CA 1.344 63.450 62.100 0.010 0.000 1.153 91 T CB -0.677 68.198 68.868 0.012 0.000 0.863 91 T HN 0.419 nan 8.240 nan 0.000 0.428 92 A N 1.392 124.221 122.820 0.015 0.000 1.884 92 A HA -0.222 4.098 4.320 0.000 0.000 0.219 92 A C 2.560 180.159 177.584 0.024 0.000 1.197 92 A CA 2.537 54.592 52.037 0.029 0.000 0.637 92 A CB -1.524 17.489 19.000 0.022 0.000 0.827 92 A HN 0.510 nan 8.150 nan 0.000 0.450 93 T N -0.386 114.174 114.554 0.009 0.000 2.665 93 T HA -0.165 4.185 4.350 0.000 0.000 0.268 93 T C 1.841 176.549 174.700 0.014 0.000 1.035 93 T CA 1.730 63.836 62.100 0.009 0.000 1.151 93 T CB -0.545 68.324 68.868 0.002 0.000 0.862 93 T HN 0.178 nan 8.240 nan 0.000 0.438 94 V N 1.052 120.975 119.914 0.014 0.000 2.358 94 V HA -0.086 4.034 4.120 0.000 0.000 0.246 94 V C 2.414 178.519 176.094 0.018 0.000 1.047 94 V CA 1.445 63.753 62.300 0.015 0.000 1.035 94 V CB -0.560 31.271 31.823 0.014 0.000 0.658 94 V HN 0.424 nan 8.190 nan 0.000 0.452 95 L N -0.182 121.054 121.223 0.022 0.000 2.131 95 L HA -0.021 4.319 4.340 0.000 0.000 0.206 95 L C 2.715 179.601 176.870 0.026 0.000 1.087 95 L CA 1.214 56.069 54.840 0.025 0.000 0.767 95 L CB -0.773 41.303 42.059 0.029 0.000 0.917 95 L HN 0.314 nan 8.230 nan 0.000 0.441 96 A N -0.248 122.589 122.820 0.029 0.000 1.917 96 A HA -0.318 4.002 4.320 0.000 0.000 0.219 96 A C 2.290 179.888 177.584 0.024 0.000 1.182 96 A CA 2.193 54.248 52.037 0.030 0.000 0.633 96 A CB -0.614 18.405 19.000 0.032 0.000 0.819 96 A HN 0.526 nan 8.150 nan 0.000 0.448 97 Q N -0.746 119.066 119.800 0.020 0.000 2.083 97 Q HA -0.058 4.282 4.340 0.000 0.000 0.198 97 Q C 2.214 178.224 176.000 0.016 0.000 0.969 97 Q CA 1.368 57.181 55.803 0.017 0.000 0.838 97 Q CB -0.334 28.413 28.738 0.015 0.000 0.900 97 Q HN 0.586 nan 8.270 nan 0.000 0.436 98 A N 1.018 123.848 122.820 0.017 0.000 1.883 98 A HA -0.188 4.132 4.320 0.000 0.000 0.217 98 A C 1.988 179.581 177.584 0.015 0.000 1.186 98 A CA 1.580 53.627 52.037 0.015 0.000 0.624 98 A CB -0.721 18.289 19.000 0.016 0.000 0.822 98 A HN 0.464 nan 8.150 nan 0.000 0.444 99 I N -0.289 120.290 120.570 0.017 0.000 2.142 99 I HA -0.255 3.915 4.170 0.000 0.000 0.240 99 I C 2.333 178.458 176.117 0.015 0.000 1.078 99 I CA 1.466 62.775 61.300 0.015 0.000 1.343 99 I CB -0.415 37.595 38.000 0.017 0.000 1.046 99 I HN 0.277 nan 8.210 nan 0.000 0.405 100 I N 0.312 120.892 120.570 0.017 0.000 2.208 100 I HA -0.285 3.885 4.170 0.000 0.000 0.245 100 I C 2.586 178.712 176.117 0.014 0.000 1.097 100 I CA 1.564 62.873 61.300 0.016 0.000 1.363 100 I CB -0.704 37.307 38.000 0.018 0.000 1.051 100 I HN 0.286 nan 8.210 nan 0.000 0.413 101 T N 0.130 114.692 114.554 0.013 0.000 2.652 101 T HA -0.184 4.166 4.350 0.000 0.000 0.267 101 T C 1.872 176.577 174.700 0.009 0.000 1.039 101 T CA 1.414 63.520 62.100 0.011 0.000 1.153 101 T CB -0.127 68.748 68.868 0.010 0.000 0.863 101 T HN 0.279 nan 8.240 nan 0.000 0.428 102 E N 0.331 120.537 120.200 0.010 0.000 2.086 102 E HA 0.079 4.429 4.350 0.000 0.000 0.190 102 E C 2.593 179.198 176.600 0.008 0.000 0.975 102 E CA 0.854 57.259 56.400 0.008 0.000 0.813 102 E CB -0.852 28.853 29.700 0.009 0.000 0.768 102 E HN 0.516 nan 8.360 nan 0.000 0.457 103 G N 1.171 109.976 108.800 0.009 0.000 2.440 103 G HA2 -0.234 3.726 3.960 0.000 0.000 0.218 103 G HA3 -0.234 3.726 3.960 0.000 0.000 0.218 103 G C 1.483 176.389 174.900 0.009 0.000 1.154 103 G CA 0.564 45.669 45.100 0.009 0.000 0.767 103 G HN 0.188 nan 8.290 nan 0.000 0.552 104 L N -0.091 121.137 121.223 0.010 0.000 2.341 104 L HA 0.328 4.668 4.340 0.000 0.000 0.214 104 L C 2.560 179.434 176.870 0.007 0.000 1.115 104 L CA 1.104 55.949 54.840 0.009 0.000 0.820 104 L CB -0.321 41.744 42.059 0.010 0.000 0.944 104 L HN 0.118 nan 8.230 nan 0.000 0.452 105 K N -0.889 119.515 120.400 0.007 0.000 2.025 105 K HA -0.066 4.254 4.320 0.000 0.000 0.207 105 K C 2.143 178.746 176.600 0.005 0.000 1.049 105 K CA 1.285 57.575 56.287 0.005 0.000 0.933 105 K CB -0.256 32.247 32.500 0.005 0.000 0.714 105 K HN 0.322 nan 8.250 nan 0.000 0.438 106 A N 1.045 123.868 122.820 0.005 0.000 1.892 106 A HA -0.198 4.122 4.320 0.000 0.000 0.218 106 A C 2.318 179.906 177.584 0.005 0.000 1.188 106 A CA 2.157 54.198 52.037 0.005 0.000 0.631 106 A CB -1.152 17.851 19.000 0.006 0.000 0.822 106 A HN 0.272 nan 8.150 nan 0.000 0.447 107 V N -1.710 118.208 119.914 0.007 0.000 2.407 107 V HA -0.073 4.047 4.120 0.000 0.000 0.248 107 V C 2.375 178.473 176.094 0.006 0.000 1.055 107 V CA 2.423 64.727 62.300 0.008 0.000 1.049 107 V CB -0.972 30.857 31.823 0.010 0.000 0.662 107 V HN 0.602 nan 8.190 nan 0.000 0.455 108 A N -0.100 122.723 122.820 0.005 0.000 2.072 108 A HA 0.443 4.763 4.320 0.000 0.000 0.216 108 A C 2.374 179.960 177.584 0.002 0.000 1.156 108 A CA 1.306 53.345 52.037 0.004 0.000 0.701 108 A CB -0.720 18.281 19.000 0.003 0.000 0.816 108 A HN 1.027 nan 8.150 nan 0.000 0.458 109 A N -1.300 121.522 122.820 0.003 0.000 2.119 109 A HA 0.376 4.696 4.320 0.000 0.000 0.217 109 A C 1.721 179.306 177.584 0.002 0.000 1.153 109 A CA 1.335 53.373 52.037 0.002 0.000 0.692 109 A CB -0.759 18.243 19.000 0.002 0.000 0.799 109 A HN 1.833 nan 8.150 nan 0.000 0.458 110 G N -1.738 107.063 108.800 0.002 0.000 2.167 110 G HA2 -0.184 3.776 3.960 0.000 0.000 0.194 110 G HA3 -0.184 3.776 3.960 0.000 0.000 0.194 110 G C 0.010 174.912 174.900 0.003 0.000 1.027 110 G CA 0.264 45.365 45.100 0.002 0.000 0.717 110 G HN 0.359 nan 8.290 nan 0.000 0.501 111 M N -0.141 119.461 119.600 0.003 0.000 2.513 111 M HA 0.388 4.868 4.480 0.000 0.000 0.291 111 M C 0.615 176.918 176.300 0.005 0.000 1.190 111 M CA -0.903 54.399 55.300 0.004 0.000 0.960 111 M CB 0.687 33.290 32.600 0.004 0.000 1.517 111 M HN 0.112 nan 8.290 nan 0.000 0.499 112 N N 1.367 120.070 118.700 0.005 0.000 2.406 112 N HA 0.186 4.926 4.740 0.000 0.000 0.251 112 N C -2.202 173.312 175.510 0.007 0.000 1.069 112 N CA -1.575 51.478 53.050 0.006 0.000 0.947 112 N CB 1.215 39.705 38.487 0.005 0.000 1.111 112 N HN 0.218 nan 8.380 nan 0.000 0.497 113 P HA -0.144 nan 4.420 nan 0.000 0.216 113 P C 1.420 178.726 177.300 0.009 0.000 1.153 113 P CA 1.281 64.388 63.100 0.010 0.000 0.858 113 P CB 0.273 31.981 31.700 0.013 0.000 0.789 114 M N -0.809 118.796 119.600 0.009 0.000 2.175 114 M HA -0.119 4.361 4.480 0.000 0.000 0.264 114 M C 1.494 177.797 176.300 0.005 0.000 1.063 114 M CA 1.681 56.985 55.300 0.007 0.000 1.119 114 M CB -0.900 31.705 32.600 0.007 0.000 1.377 114 M HN -0.195 nan 8.290 nan 0.000 0.415 115 D N -0.325 120.077 120.400 0.005 0.000 2.117 115 D HA -0.120 4.520 4.640 0.000 0.000 0.198 115 D C 2.058 178.361 176.300 0.004 0.000 0.982 115 D CA 1.314 55.316 54.000 0.004 0.000 0.828 115 D CB -0.242 40.560 40.800 0.003 0.000 0.967 115 D HN 0.355 nan 8.370 nan 0.000 0.464 116 L N 0.757 121.983 121.223 0.005 0.000 2.046 116 L HA -0.160 4.180 4.340 0.000 0.000 0.208 116 L C 2.573 179.446 176.870 0.005 0.000 1.077 116 L CA 1.007 55.850 54.840 0.005 0.000 0.747 116 L CB -0.364 41.699 42.059 0.007 0.000 0.896 116 L HN -0.018 nan 8.230 nan 0.000 0.432 117 K N 0.441 120.844 120.400 0.005 0.000 2.020 117 K HA -0.281 4.039 4.320 0.000 0.000 0.212 117 K C 2.257 178.858 176.600 0.002 0.000 1.050 117 K CA 1.751 58.041 56.287 0.004 0.000 0.929 117 K CB -0.064 32.439 32.500 0.005 0.000 0.714 117 K HN 0.044 nan 8.250 nan 0.000 0.443 118 R N -0.286 120.215 120.500 0.001 0.000 2.154 118 R HA -0.201 4.139 4.340 0.000 0.000 0.236 118 R C 2.262 178.562 176.300 -0.000 0.000 1.121 118 R CA 2.282 58.383 56.100 -0.000 0.000 0.915 118 R CB -1.126 29.174 30.300 0.001 0.000 0.856 118 R HN 0.477 nan 8.270 nan 0.000 0.431 119 G N 0.782 109.583 108.800 0.001 0.000 2.764 119 G HA2 -0.379 3.581 3.960 0.000 0.000 0.219 119 G HA3 -0.379 3.581 3.960 0.000 0.000 0.219 119 G C 1.451 176.351 174.900 0.001 0.000 1.259 119 G CA 1.752 46.853 45.100 0.001 0.000 0.793 119 G HN 0.403 nan 8.290 nan 0.000 0.633 120 I N 1.041 121.612 120.570 0.002 0.000 2.094 120 I HA -0.311 3.859 4.170 0.000 0.000 0.236 120 I C 2.519 178.635 176.117 -0.001 0.000 1.016 120 I CA 2.023 63.324 61.300 0.002 0.000 1.294 120 I CB -0.426 37.577 38.000 0.004 0.000 1.006 120 I HN 0.140 nan 8.210 nan 0.000 0.397 121 D N 0.420 120.818 120.400 -0.004 0.000 2.172 121 D HA -0.230 4.410 4.640 0.000 0.000 0.196 121 D C 2.066 178.361 176.300 -0.008 0.000 0.999 121 D CA 1.318 55.312 54.000 -0.009 0.000 0.856 121 D CB -0.283 40.511 40.800 -0.010 0.000 0.934 121 D HN 0.384 nan 8.370 nan 0.000 0.453 122 K N 0.379 120.776 120.400 -0.005 0.000 2.001 122 K HA -0.055 4.265 4.320 0.000 0.000 0.208 122 K C 2.102 178.701 176.600 -0.003 0.000 1.048 122 K CA 1.065 57.350 56.287 -0.004 0.000 0.932 122 K CB -0.046 32.453 32.500 -0.002 0.000 0.715 122 K HN 0.014 nan 8.250 nan 0.000 0.437 123 A N 0.807 123.627 122.820 -0.001 0.000 1.917 123 A HA -0.155 4.165 4.320 0.000 0.000 0.219 123 A C 2.245 179.829 177.584 0.000 0.000 1.182 123 A CA 1.863 53.901 52.037 0.001 0.000 0.633 123 A CB -0.744 18.258 19.000 0.003 0.000 0.819 123 A HN 0.179 nan 8.150 nan 0.000 0.448 124 V N -0.639 119.274 119.914 -0.003 0.000 2.261 124 V HA -0.236 3.884 4.120 0.000 0.000 0.246 124 V C 2.703 178.793 176.094 -0.007 0.000 1.047 124 V CA 2.479 64.776 62.300 -0.005 0.000 1.015 124 V CB -1.445 30.371 31.823 -0.012 0.000 0.642 124 V HN 0.589 nan 8.190 nan 0.000 0.446 125 T N 0.417 114.965 114.554 -0.010 0.000 2.685 125 T HA -0.270 4.080 4.350 0.000 0.000 0.268 125 T C 1.963 176.660 174.700 -0.005 0.000 1.034 125 T CA 1.995 64.088 62.100 -0.010 0.000 1.149 125 T CB -0.425 68.438 68.868 -0.010 0.000 0.860 125 T HN 0.598 nan 8.240 nan 0.000 0.449 126 A N 0.914 123.732 122.820 -0.002 0.000 1.898 126 A HA 0.351 4.671 4.320 0.000 0.000 0.214 126 A C 2.608 180.194 177.584 0.003 0.000 1.183 126 A CA 1.536 53.573 52.037 0.001 0.000 0.622 126 A CB -0.960 18.041 19.000 0.002 0.000 0.824 126 A HN 0.498 nan 8.150 nan 0.000 0.444 127 A N -0.423 122.399 122.820 0.003 0.000 1.930 127 A HA 0.070 4.390 4.320 0.000 0.000 0.217 127 A C 2.173 179.761 177.584 0.006 0.000 1.175 127 A CA 1.553 53.594 52.037 0.007 0.000 0.627 127 A CB -0.861 18.144 19.000 0.009 0.000 0.815 127 A HN 0.348 nan 8.150 nan 0.000 0.443 128 V N 0.030 119.945 119.914 0.002 0.000 2.282 128 V HA -0.295 3.825 4.120 0.000 0.000 0.249 128 V C 2.561 178.657 176.094 0.004 0.000 1.057 128 V CA 2.489 64.790 62.300 0.001 0.000 1.032 128 V CB -0.834 30.986 31.823 -0.006 0.000 0.645 128 V HN 0.585 nan 8.190 nan 0.000 0.447 129 E N 0.110 120.312 120.200 0.002 0.000 2.049 129 E HA -0.218 4.132 4.350 0.000 0.000 0.198 129 E C 2.322 178.926 176.600 0.007 0.000 1.007 129 E CA 1.515 57.918 56.400 0.004 0.000 0.809 129 E CB -0.299 29.403 29.700 0.003 0.000 0.749 129 E HN 0.540 nan 8.360 nan 0.000 0.450 130 E N -0.229 119.976 120.200 0.008 0.000 2.085 130 E HA -0.194 4.156 4.350 0.000 0.000 0.194 130 E C 2.122 178.730 176.600 0.014 0.000 0.994 130 E CA 0.694 57.101 56.400 0.011 0.000 0.801 130 E CB -0.306 29.401 29.700 0.012 0.000 0.743 130 E HN 0.181 nan 8.360 nan 0.000 0.453 131 L N 1.693 122.925 121.223 0.014 0.000 2.043 131 L HA -0.237 4.103 4.340 0.000 0.000 0.212 131 L C 2.220 179.099 176.870 0.015 0.000 1.075 131 L CA 1.769 56.619 54.840 0.016 0.000 0.752 131 L CB -0.602 41.467 42.059 0.016 0.000 0.891 131 L HN 0.069 nan 8.230 nan 0.000 0.432 132 K N -1.065 119.342 120.400 0.012 0.000 2.103 132 K HA -0.154 4.166 4.320 0.000 0.000 0.207 132 K C 2.051 178.658 176.600 0.012 0.000 1.048 132 K CA 1.407 57.701 56.287 0.012 0.000 0.930 132 K CB -0.368 32.138 32.500 0.009 0.000 0.716 132 K HN 0.371 nan 8.250 nan 0.000 0.444 133 A N 1.320 124.148 122.820 0.012 0.000 1.929 133 A HA -0.101 4.219 4.320 0.000 0.000 0.216 133 A C 2.081 179.674 177.584 0.015 0.000 1.176 133 A CA 0.903 52.947 52.037 0.013 0.000 0.628 133 A CB -0.313 18.694 19.000 0.012 0.000 0.816 133 A HN 0.210 nan 8.150 nan 0.000 0.444 134 L N -0.273 120.961 121.223 0.018 0.000 2.179 134 L HA 0.145 4.485 4.340 0.000 0.000 0.208 134 L C 1.357 178.240 176.870 0.023 0.000 1.096 134 L CA 0.979 55.833 54.840 0.023 0.000 0.779 134 L CB -0.527 41.548 42.059 0.026 0.000 0.922 134 L HN 0.222 nan 8.230 nan 0.000 0.443 135 S N -0.480 115.232 115.700 0.020 0.000 2.563 135 S HA 0.114 4.584 4.470 0.000 0.000 0.294 135 S C -0.174 174.437 174.600 0.018 0.000 1.279 135 S CA -0.332 57.880 58.200 0.019 0.000 1.069 135 S CB -0.011 63.199 63.200 0.017 0.000 0.828 135 S HN 0.088 nan 8.310 nan 0.000 0.497 136 V N 8.844 128.769 119.914 0.019 0.000 2.435 136 V HA 0.394 4.514 4.120 0.000 0.000 0.290 136 V C -1.977 174.126 176.094 0.016 0.000 1.030 136 V CA -1.848 60.462 62.300 0.017 0.000 0.881 136 V CB 1.485 33.319 31.823 0.019 0.000 0.983 136 V HN 0.740 nan 8.190 nan 0.000 0.445 137 P HA 0.189 nan 4.420 nan 0.000 0.272 137 P C -0.854 176.453 177.300 0.013 0.000 1.240 137 P CA -0.263 62.845 63.100 0.013 0.000 0.791 137 P CB 0.444 32.151 31.700 0.011 0.000 0.978 138 C N 1.468 120.775 119.300 0.012 0.000 2.478 138 C HA 0.621 5.082 4.460 0.000 0.000 0.334 138 C C 1.073 176.069 174.990 0.011 0.000 1.106 138 C CA 0.387 59.412 59.018 0.012 0.000 1.363 138 C CB -0.466 27.282 27.740 0.013 0.000 1.941 138 C HN 0.643 nan 8.230 nan 0.000 0.436 139 S N 3.104 118.809 115.700 0.009 0.000 3.056 139 S HA 0.199 4.669 4.470 0.000 0.000 0.255 139 S C 0.282 174.885 174.600 0.006 0.000 1.079 139 S CA 0.618 58.823 58.200 0.008 0.000 0.810 139 S CB -0.183 63.022 63.200 0.008 0.000 0.810 139 S HN 0.942 nan 8.310 nan 0.000 0.477 140 D N 1.421 121.824 120.400 0.006 0.000 2.360 140 D HA 0.316 4.956 4.640 0.000 0.000 0.242 140 D C 1.080 177.382 176.300 0.004 0.000 1.184 140 D CA 0.018 54.020 54.000 0.004 0.000 0.930 140 D CB 0.348 41.150 40.800 0.004 0.000 1.161 140 D HN 0.084 nan 8.370 nan 0.000 0.447 141 S N -0.343 115.359 115.700 0.003 0.000 2.374 141 S HA -0.240 4.230 4.470 0.000 0.000 0.227 141 S C 1.584 176.185 174.600 0.002 0.000 1.037 141 S CA 1.687 59.888 58.200 0.002 0.000 1.024 141 S CB -0.345 62.855 63.200 0.001 0.000 0.861 141 S HN 0.628 nan 8.310 nan 0.000 0.456 142 K N 0.920 121.322 120.400 0.003 0.000 2.001 142 K HA -0.144 4.176 4.320 0.000 0.000 0.214 142 K C 2.164 178.766 176.600 0.004 0.000 1.050 142 K CA 1.506 57.795 56.287 0.003 0.000 0.934 142 K CB -0.439 32.063 32.500 0.004 0.000 0.718 142 K HN 0.314 nan 8.250 nan 0.000 0.443 143 A N 0.926 123.749 122.820 0.005 0.000 1.933 143 A HA -0.125 4.195 4.320 0.000 0.000 0.218 143 A C 2.013 179.601 177.584 0.007 0.000 1.175 143 A CA 1.244 53.285 52.037 0.007 0.000 0.628 143 A CB -0.482 18.523 19.000 0.008 0.000 0.814 143 A HN 0.309 nan 8.150 nan 0.000 0.444 144 I N 0.069 120.642 120.570 0.006 0.000 2.142 144 I HA -0.220 3.950 4.170 0.000 0.000 0.240 144 I C 2.919 179.039 176.117 0.004 0.000 1.078 144 I CA 1.391 62.695 61.300 0.006 0.000 1.343 144 I CB -1.596 36.407 38.000 0.004 0.000 1.046 144 I HN 0.351 nan 8.210 nan 0.000 0.405 145 A N -0.173 122.648 122.820 0.003 0.000 1.930 145 A HA -0.256 4.064 4.320 0.000 0.000 0.217 145 A C 2.248 179.833 177.584 0.002 0.000 1.175 145 A CA 1.703 53.741 52.037 0.002 0.000 0.627 145 A CB -0.640 18.360 19.000 0.000 0.000 0.815 145 A HN 0.451 nan 8.150 nan 0.000 0.443 146 Q N 0.214 120.016 119.800 0.003 0.000 1.943 146 Q HA -0.217 4.123 4.340 0.000 0.000 0.213 146 Q C 2.073 178.076 176.000 0.005 0.000 1.017 146 Q CA 3.399 59.204 55.803 0.004 0.000 0.874 146 Q CB -0.853 27.888 28.738 0.005 0.000 0.960 146 Q HN 0.716 nan 8.270 nan 0.000 0.417 147 V N -0.284 119.634 119.914 0.007 0.000 2.407 147 V HA -0.101 4.019 4.120 0.000 0.000 0.248 147 V C 1.910 178.009 176.094 0.009 0.000 1.055 147 V CA 2.639 64.944 62.300 0.009 0.000 1.049 147 V CB -1.399 30.431 31.823 0.012 0.000 0.662 147 V HN 0.519 nan 8.190 nan 0.000 0.455 148 G N 0.605 109.410 108.800 0.008 0.000 2.480 148 G HA2 -0.360 3.600 3.960 0.000 0.000 0.216 148 G HA3 -0.360 3.600 3.960 0.000 0.000 0.216 148 G C 1.813 176.716 174.900 0.004 0.000 1.200 148 G CA 2.459 47.563 45.100 0.007 0.000 0.782 148 G HN 0.768 nan 8.290 nan 0.000 0.554 149 T N 0.152 114.708 114.554 0.002 0.000 2.684 149 T HA -0.097 4.254 4.350 0.000 0.000 0.267 149 T C 2.423 177.123 174.700 -0.001 0.000 1.036 149 T CA 1.449 63.549 62.100 -0.000 0.000 1.148 149 T CB -0.381 68.486 68.868 -0.001 0.000 0.863 149 T HN 0.228 nan 8.240 nan 0.000 0.436 150 I N 1.701 122.271 120.570 -0.000 0.000 2.286 150 I HA -0.126 4.044 4.170 0.000 0.000 0.248 150 I C 2.998 179.114 176.117 -0.001 0.000 1.115 150 I CA 1.417 62.716 61.300 -0.002 0.000 1.392 150 I CB -0.465 37.533 38.000 -0.002 0.000 1.065 150 I HN 0.327 nan 8.210 nan 0.000 0.418 151 S N 0.255 115.958 115.700 0.004 0.000 2.481 151 S HA 0.085 4.555 4.470 0.000 0.000 0.231 151 S C 1.645 176.249 174.600 0.008 0.000 0.996 151 S CA 0.863 59.068 58.200 0.008 0.000 0.942 151 S CB -0.077 63.133 63.200 0.016 0.000 0.768 151 S HN 0.426 nan 8.310 nan 0.000 0.520 152 A N 1.417 124.239 122.820 0.004 0.000 2.545 152 A HA 0.417 4.737 4.320 0.000 0.000 0.277 152 A C 0.467 178.050 177.584 -0.001 0.000 1.301 152 A CA -0.239 51.800 52.037 0.003 0.000 0.935 152 A CB -0.699 18.303 19.000 0.002 0.000 1.093 152 A HN 0.680 nan 8.150 nan 0.000 0.519 153 N N 0.311 119.009 118.700 -0.003 0.000 2.688 153 N HA -0.205 4.535 4.740 0.000 0.000 0.261 153 N C 0.141 175.646 175.510 -0.008 0.000 1.116 153 N CA 0.558 53.604 53.050 -0.008 0.000 0.689 153 N CB -1.081 37.401 38.487 -0.007 0.000 0.882 153 N HN 0.420 nan 8.380 nan 0.000 0.554 154 S N -0.837 114.858 115.700 -0.008 0.000 3.146 154 S HA -0.226 4.244 4.470 0.000 0.000 0.285 154 S C -0.231 174.365 174.600 -0.007 0.000 1.293 154 S CA 1.330 59.525 58.200 -0.009 0.000 1.137 154 S CB -0.703 62.490 63.200 -0.012 0.000 1.357 154 S HN 0.796 nan 8.310 nan 0.000 0.678 155 D N 1.289 121.685 120.400 -0.005 0.000 2.393 155 D HA 0.292 4.932 4.640 0.000 0.000 0.232 155 D C 0.987 177.285 176.300 -0.004 0.000 1.192 155 D CA -0.183 53.814 54.000 -0.005 0.000 0.882 155 D CB 0.541 41.338 40.800 -0.004 0.000 1.038 155 D HN 0.419 nan 8.370 nan 0.000 0.499 156 E N 1.062 121.260 120.200 -0.004 0.000 2.204 156 E HA -0.167 4.183 4.350 0.000 0.000 0.195 156 E C 1.750 178.348 176.600 -0.003 0.000 0.990 156 E CA 1.327 57.725 56.400 -0.003 0.000 0.821 156 E CB 0.257 29.955 29.700 -0.003 0.000 0.750 156 E HN 0.637 nan 8.360 nan 0.000 0.477 157 T N -1.663 112.888 114.554 -0.004 0.000 2.867 157 T HA -0.081 4.269 4.350 0.000 0.000 0.268 157 T C 1.995 176.692 174.700 -0.005 0.000 1.057 157 T CA 0.956 63.053 62.100 -0.005 0.000 1.136 157 T CB -0.282 68.583 68.868 -0.005 0.000 0.874 157 T HN -0.039 nan 8.240 nan 0.000 0.466 158 V N 1.803 121.715 119.914 -0.005 0.000 2.379 158 V HA 0.087 4.207 4.120 0.000 0.000 0.245 158 V C 3.147 179.239 176.094 -0.004 0.000 1.044 158 V CA 1.577 63.875 62.300 -0.005 0.000 1.036 158 V CB -1.568 30.253 31.823 -0.003 0.000 0.664 158 V HN 0.645 nan 8.190 nan 0.000 0.453 159 G N -0.061 108.737 108.800 -0.003 0.000 2.446 159 G HA2 -0.348 3.612 3.960 0.000 0.000 0.217 159 G HA3 -0.348 3.612 3.960 0.000 0.000 0.217 159 G C 1.622 176.521 174.900 -0.003 0.000 1.168 159 G CA 1.309 46.408 45.100 -0.002 0.000 0.771 159 G HN 0.490 nan 8.290 nan 0.000 0.551 160 K N -0.457 119.941 120.400 -0.003 0.000 2.001 160 K HA -0.085 4.235 4.320 0.000 0.000 0.214 160 K C 2.515 179.112 176.600 -0.005 0.000 1.050 160 K CA 1.326 57.610 56.287 -0.004 0.000 0.934 160 K CB -0.340 32.158 32.500 -0.004 0.000 0.718 160 K HN 0.214 nan 8.250 nan 0.000 0.443 161 L N 1.050 122.269 121.223 -0.007 0.000 2.079 161 L HA -0.168 4.172 4.340 0.000 0.000 0.210 161 L C 2.111 178.975 176.870 -0.010 0.000 1.081 161 L CA 1.444 56.279 54.840 -0.009 0.000 0.752 161 L CB -0.275 41.778 42.059 -0.010 0.000 0.896 161 L HN 0.286 nan 8.230 nan 0.000 0.433 162 I N -1.353 119.212 120.570 -0.010 0.000 2.133 162 I HA -0.289 3.881 4.170 0.000 0.000 0.238 162 I C 2.621 178.734 176.117 -0.008 0.000 1.074 162 I CA 1.115 62.409 61.300 -0.011 0.000 1.342 162 I CB -0.611 37.384 38.000 -0.008 0.000 1.053 162 I HN 0.211 nan 8.210 nan 0.000 0.404 163 A N 0.348 123.165 122.820 -0.005 0.000 1.940 163 A HA -0.318 4.002 4.320 0.000 0.000 0.221 163 A C 2.228 179.809 177.584 -0.005 0.000 1.190 163 A CA 2.285 54.319 52.037 -0.004 0.000 0.647 163 A CB -0.786 18.213 19.000 -0.002 0.000 0.821 163 A HN 0.503 nan 8.150 nan 0.000 0.457 164 E N -0.826 119.370 120.200 -0.006 0.000 2.047 164 E HA -0.052 4.298 4.350 0.000 0.000 0.191 164 E C 2.444 179.039 176.600 -0.008 0.000 0.987 164 E CA 0.815 57.211 56.400 -0.007 0.000 0.799 164 E CB -0.269 29.426 29.700 -0.007 0.000 0.752 164 E HN 0.626 nan 8.360 nan 0.000 0.449 165 A N 1.475 124.289 122.820 -0.010 0.000 1.851 165 A HA -0.243 4.077 4.320 0.000 0.000 0.216 165 A C 2.221 179.799 177.584 -0.011 0.000 1.195 165 A CA 1.876 53.906 52.037 -0.012 0.000 0.622 165 A CB -0.664 18.326 19.000 -0.017 0.000 0.831 165 A HN 0.174 nan 8.150 nan 0.000 0.444 166 M N -0.920 118.674 119.600 -0.010 0.000 2.143 166 M HA -0.239 4.241 4.480 0.000 0.000 0.258 166 M C 1.777 178.074 176.300 -0.005 0.000 1.071 166 M CA 2.208 57.503 55.300 -0.007 0.000 1.088 166 M CB -0.955 31.642 32.600 -0.005 0.000 1.360 166 M HN 0.526 nan 8.290 nan 0.000 0.404 167 D N 0.349 120.745 120.400 -0.005 0.000 2.218 167 D HA -0.113 4.527 4.640 0.000 0.000 0.204 167 D C 1.881 178.178 176.300 -0.005 0.000 0.976 167 D CA 1.117 55.114 54.000 -0.004 0.000 0.853 167 D CB 0.282 41.080 40.800 -0.004 0.000 0.939 167 D HN 0.338 nan 8.370 nan 0.000 0.481 168 K N -0.980 119.416 120.400 -0.006 0.000 2.190 168 K HA 0.121 4.441 4.320 0.000 0.000 0.202 168 K C 1.404 178.000 176.600 -0.007 0.000 1.045 168 K CA 0.267 56.550 56.287 -0.007 0.000 0.976 168 K CB 0.588 33.083 32.500 -0.008 0.000 0.849 168 K HN -0.026 nan 8.250 nan 0.000 0.468 169 V N 0.417 120.326 119.914 -0.008 0.000 3.578 169 V HA 0.275 4.395 4.120 0.000 0.000 0.290 169 V C -0.120 175.970 176.094 -0.006 0.000 1.376 169 V CA 0.759 63.055 62.300 -0.007 0.000 1.083 169 V CB 0.255 32.072 31.823 -0.009 0.000 0.911 169 V HN 0.536 nan 8.190 nan 0.000 0.433 170 G N 0.683 109.479 108.800 -0.005 0.000 2.570 170 G HA2 -0.156 3.804 3.960 0.000 0.000 0.686 170 G HA3 -0.156 3.804 3.960 0.000 0.000 0.686 170 G C -0.077 174.821 174.900 -0.003 0.000 1.257 170 G CA -0.104 44.993 45.100 -0.004 0.000 0.846 170 G HN 0.309 nan 8.290 nan 0.000 0.627 171 K N 0.055 120.454 120.400 -0.001 0.000 2.442 171 K HA 0.042 4.362 4.320 0.000 0.000 0.198 171 K C 1.923 178.524 176.600 0.001 0.000 1.042 171 K CA 1.619 57.907 56.287 0.001 0.000 0.958 171 K CB 0.150 32.652 32.500 0.004 0.000 0.766 171 K HN 0.418 nan 8.250 nan 0.000 0.474 172 E N 0.925 121.125 120.200 0.001 0.000 2.024 172 E HA 0.036 4.386 4.350 0.000 0.000 0.190 172 E C 0.739 177.337 176.600 -0.004 0.000 0.974 172 E CA 0.688 57.089 56.400 0.001 0.000 0.810 172 E CB -0.585 29.116 29.700 0.002 0.000 0.775 172 E HN 0.302 nan 8.360 nan 0.000 0.453 173 G N 1.132 109.929 108.800 -0.005 0.000 2.732 173 G HA2 -0.159 3.801 3.960 0.000 0.000 0.251 173 G HA3 -0.159 3.801 3.960 0.000 0.000 0.251 173 G C -0.026 174.866 174.900 -0.014 0.000 0.628 173 G CA 0.056 45.151 45.100 -0.008 0.000 1.066 173 G HN 0.125 nan 8.290 nan 0.000 0.296 174 V N 4.328 124.233 119.914 -0.015 0.000 2.446 174 V HA 0.163 4.283 4.120 0.000 0.000 0.276 174 V C 0.842 176.918 176.094 -0.031 0.000 1.030 174 V CA 0.496 62.781 62.300 -0.025 0.000 1.033 174 V CB 0.187 31.995 31.823 -0.025 0.000 0.993 174 V HN 0.490 nan 8.190 nan 0.000 0.477 175 I N 5.562 126.107 120.570 -0.041 0.000 2.382 175 I HA 0.483 4.653 4.170 0.000 0.000 0.286 175 I C 0.397 176.479 176.117 -0.058 0.000 1.002 175 I CA -0.250 61.024 61.300 -0.044 0.000 1.135 175 I CB 1.837 39.812 38.000 -0.041 0.000 1.288 175 I HN 0.668 nan 8.210 nan 0.000 0.448 176 T N 2.548 117.071 114.554 -0.051 0.000 2.940 176 T HA 0.800 5.150 4.350 0.000 0.000 0.288 176 T C -0.395 174.277 174.700 -0.047 0.000 1.045 176 T CA -0.840 61.226 62.100 -0.056 0.000 1.018 176 T CB 2.223 71.059 68.868 -0.052 0.000 1.151 176 T HN 0.182 nan 8.240 nan 0.000 0.529 177 V N 0.810 120.696 119.914 -0.046 0.000 2.540 177 V HA 0.596 4.716 4.120 0.000 0.000 0.302 177 V C -0.280 175.796 176.094 -0.030 0.000 1.035 177 V CA -0.778 61.500 62.300 -0.037 0.000 0.873 177 V CB 1.394 33.194 31.823 -0.038 0.000 0.992 177 V HN 0.989 nan 8.190 nan 0.000 0.428 178 E N 1.277 121.462 120.200 -0.025 0.000 2.320 178 E HA 0.427 4.777 4.350 0.000 0.000 0.264 178 E C -1.389 175.201 176.600 -0.018 0.000 0.923 178 E CA -1.017 55.370 56.400 -0.022 0.000 0.796 178 E CB 1.689 31.376 29.700 -0.022 0.000 1.262 178 E HN 0.667 nan 8.360 nan 0.000 0.428 179 D N 0.640 121.031 120.400 -0.015 0.000 2.458 179 D HA 0.184 4.824 4.640 0.000 0.000 0.243 179 D C -0.090 176.202 176.300 -0.013 0.000 1.146 179 D CA 0.416 54.408 54.000 -0.013 0.000 0.877 179 D CB 0.881 41.674 40.800 -0.011 0.000 1.176 179 D HN 0.443 nan 8.370 nan 0.000 0.461 180 G N 0.335 109.128 108.800 -0.012 0.000 2.503 180 G HA2 0.340 4.300 3.960 0.000 0.000 0.257 180 G HA3 0.340 4.300 3.960 0.000 0.000 0.257 180 G C 0.952 175.846 174.900 -0.010 0.000 1.214 180 G CA -0.293 44.800 45.100 -0.011 0.000 0.839 180 G HN 0.492 nan 8.290 nan 0.000 0.559 181 T N -1.279 113.269 114.554 -0.010 0.000 2.990 181 T HA 0.386 4.736 4.350 0.000 0.000 0.250 181 T C 1.166 175.861 174.700 -0.008 0.000 1.041 181 T CA 0.669 62.763 62.100 -0.010 0.000 1.010 181 T CB 0.512 69.373 68.868 -0.011 0.000 1.003 181 T HN 0.745 nan 8.240 nan 0.000 0.499 182 G N 1.133 109.928 108.800 -0.008 0.000 3.122 182 G HA2 0.543 4.503 3.960 0.000 0.000 0.180 182 G HA3 0.543 4.503 3.960 0.000 0.000 0.180 182 G C 0.142 175.038 174.900 -0.007 0.000 1.279 182 G CA -0.344 44.752 45.100 -0.007 0.000 0.987 182 G HN 0.215 nan 8.290 nan 0.000 0.589 183 L N -0.903 120.316 121.223 -0.006 0.000 2.477 183 L HA 0.364 4.704 4.340 0.000 0.000 0.220 183 L C 0.690 177.557 176.870 -0.006 0.000 1.106 183 L CA 0.433 55.269 54.840 -0.006 0.000 0.851 183 L CB -0.252 41.804 42.059 -0.005 0.000 0.994 183 L HN 0.228 nan 8.230 nan 0.000 0.462 184 Q N 1.708 121.504 119.800 -0.007 0.000 2.261 184 Q HA 0.165 4.505 4.340 0.000 0.000 0.252 184 Q C -0.761 175.234 176.000 -0.008 0.000 0.915 184 Q CA -0.227 55.572 55.803 -0.007 0.000 0.915 184 Q CB 0.885 29.619 28.738 -0.007 0.000 1.204 184 Q HN 0.313 nan 8.270 nan 0.000 0.421 185 D N 2.253 122.648 120.400 -0.008 0.000 2.399 185 D HA 0.109 4.749 4.640 0.000 0.000 0.241 185 D C -0.220 176.074 176.300 -0.009 0.000 1.133 185 D CA 0.466 54.461 54.000 -0.009 0.000 0.890 185 D CB 0.929 41.724 40.800 -0.009 0.000 1.201 185 D HN 0.371 nan 8.370 nan 0.000 0.432 186 E N 0.326 120.520 120.200 -0.011 0.000 2.343 186 E HA 0.563 4.913 4.350 0.000 0.000 0.270 186 E C -0.783 175.809 176.600 -0.012 0.000 0.895 186 E CA -0.786 55.607 56.400 -0.011 0.000 0.767 186 E CB 2.622 32.315 29.700 -0.011 0.000 1.248 186 E HN 0.160 nan 8.360 nan 0.000 0.440 187 L N 2.478 123.693 121.223 -0.012 0.000 2.406 187 L HA 0.448 4.788 4.340 0.000 0.000 0.270 187 L C -1.628 175.235 176.870 -0.013 0.000 0.982 187 L CA -0.442 54.390 54.840 -0.013 0.000 0.843 187 L CB 0.951 43.003 42.059 -0.012 0.000 1.225 187 L HN 0.603 nan 8.230 nan 0.000 0.412 188 D N 4.413 124.804 120.400 -0.014 0.000 2.498 188 D HA 0.359 4.999 4.640 0.000 0.000 0.247 188 D C -0.411 175.880 176.300 -0.014 0.000 1.070 188 D CA -0.249 53.743 54.000 -0.013 0.000 0.842 188 D CB 3.233 44.025 40.800 -0.014 0.000 1.361 188 D HN 0.308 nan 8.370 nan 0.000 0.484 189 V N -0.209 119.698 119.914 -0.012 0.000 2.567 189 V HA 0.754 4.874 4.120 0.000 0.000 0.289 189 V C -0.040 176.047 176.094 -0.011 0.000 1.049 189 V CA -0.365 61.928 62.300 -0.012 0.000 0.969 189 V CB 1.558 33.375 31.823 -0.010 0.000 0.995 189 V HN 0.329 nan 8.190 nan 0.000 0.471 190 V N 2.113 122.020 119.914 -0.012 0.000 3.077 190 V HA 0.453 4.573 4.120 0.000 0.000 0.299 190 V C -0.639 175.450 176.094 -0.009 0.000 1.276 190 V CA -0.584 61.709 62.300 -0.011 0.000 0.993 190 V CB 2.284 34.099 31.823 -0.014 0.000 1.076 190 V HN 1.089 nan 8.190 nan 0.000 0.434 191 E N 2.760 122.956 120.200 -0.007 0.000 2.558 191 E HA 0.478 4.828 4.350 0.000 0.000 0.255 191 E C 0.369 176.967 176.600 -0.002 0.000 0.968 191 E CA 1.189 57.587 56.400 -0.003 0.000 0.939 191 E CB 0.810 30.509 29.700 -0.003 0.000 0.921 191 E HN 1.097 nan 8.360 nan 0.000 0.477 192 G N 1.291 110.094 108.800 0.004 0.000 2.435 192 G HA2 0.547 4.507 3.960 0.000 0.000 0.296 192 G HA3 0.547 4.507 3.960 0.000 0.000 0.296 192 G C -1.039 173.873 174.900 0.020 0.000 1.240 192 G CA -0.476 44.629 45.100 0.008 0.000 0.872 192 G HN 0.429 nan 8.290 nan 0.000 0.480 193 M N -0.159 119.454 119.600 0.022 0.000 2.924 193 M HA 0.349 4.829 4.480 0.000 0.000 0.259 193 M C -2.439 173.878 176.300 0.028 0.000 0.924 193 M CA -0.490 54.839 55.300 0.048 0.000 0.805 193 M CB 2.082 34.741 32.600 0.098 0.000 1.684 193 M HN 0.843 nan 8.290 nan 0.000 0.572 194 Q N 3.242 123.064 119.800 0.037 0.000 2.315 194 Q HA 0.740 5.080 4.340 0.000 0.000 0.273 194 Q C -2.193 173.841 176.000 0.057 0.000 1.053 194 Q CA -0.613 55.160 55.803 -0.050 0.000 0.817 194 Q CB 2.352 31.049 28.738 -0.068 0.000 1.326 194 Q HN 0.545 nan 8.270 nan 0.000 0.423 195 F N -0.063 119.884 119.950 -0.006 0.000 2.576 195 F HA 0.508 5.035 4.527 0.000 0.000 0.313 195 F C -0.493 175.306 175.800 -0.001 0.000 1.078 195 F CA -1.162 56.837 58.000 -0.002 0.000 0.921 195 F CB 1.221 40.221 39.000 0.001 0.000 1.232 195 F HN 0.310 nan 8.300 nan 0.000 0.459 196 D N 3.423 123.964 120.400 0.235 0.000 2.662 196 D HA 0.157 4.797 4.640 0.000 0.000 0.228 196 D C -0.241 176.167 176.300 0.179 0.000 1.093 196 D CA 0.432 54.511 54.000 0.131 0.000 1.075 196 D CB -0.202 40.658 40.800 0.101 0.000 1.122 196 D HN 0.323 nan 8.370 nan 0.000 0.475 197 R N -0.046 120.564 120.500 0.184 0.000 2.673 197 R HA 0.682 5.022 4.340 0.000 0.000 0.281 197 R C 0.288 176.591 176.300 0.006 0.000 0.991 197 R CA -0.841 55.350 56.100 0.152 0.000 0.896 197 R CB 2.206 32.705 30.300 0.331 0.000 1.201 197 R HN 0.200 nan 8.270 nan 0.000 0.457 198 G N 0.781 109.558 108.800 -0.038 0.000 2.644 198 G HA2 0.479 4.439 3.960 0.000 0.000 0.307 198 G HA3 0.479 4.439 3.960 0.000 0.000 0.307 198 G C -0.750 174.107 174.900 -0.073 0.000 1.250 198 G CA -0.625 44.374 45.100 -0.167 0.000 0.996 198 G HN 0.447 nan 8.290 nan 0.000 0.489 199 Y N -0.907 119.429 120.300 0.060 0.000 2.683 199 Y HA 0.248 4.798 4.550 0.000 0.000 0.340 199 Y C 1.118 177.118 175.900 0.167 0.000 1.245 199 Y CA -0.896 57.276 58.100 0.119 0.000 1.485 199 Y CB 0.363 38.933 38.460 0.183 0.000 1.328 199 Y HN 0.207 nan 8.280 nan 0.000 0.603 200 L N 1.654 123.182 121.223 0.509 0.000 2.558 200 L HA 0.121 4.461 4.340 0.000 0.000 0.225 200 L C 0.625 177.716 176.870 0.369 0.000 1.128 200 L CA 0.902 55.979 54.840 0.395 0.000 0.868 200 L CB -0.091 42.169 42.059 0.335 0.000 1.006 200 L HN 0.813 nan 8.230 nan 0.000 0.454 201 S N -1.568 114.379 115.700 0.412 0.000 2.563 201 S HA 0.337 4.807 4.470 0.000 0.000 0.279 201 S C -2.413 172.003 174.600 -0.307 0.000 1.155 201 S CA -0.939 57.253 58.200 -0.014 0.000 0.928 201 S CB 1.771 64.806 63.200 -0.275 0.000 1.107 201 S HN -0.250 nan 8.310 nan 0.000 0.462 202 P HA -0.022 nan 4.420 nan 0.000 0.221 202 P C 0.467 177.421 177.300 -0.577 0.000 1.145 202 P CA 0.925 63.594 63.100 -0.718 0.000 0.795 202 P CB -0.146 31.235 31.700 -0.533 0.000 0.775 203 Y N -2.707 117.364 120.300 -0.382 0.000 2.616 203 Y HA 0.005 4.555 4.550 0.000 0.000 0.296 203 Y C 1.758 177.476 175.900 -0.304 0.000 1.154 203 Y CA 0.271 58.176 58.100 -0.325 0.000 1.325 203 Y CB -1.221 37.044 38.460 -0.325 0.000 1.007 203 Y HN -0.065 nan 8.280 nan 0.000 0.542 204 F N -0.241 119.660 119.950 -0.081 0.000 2.325 204 F HA -0.010 4.517 4.527 0.000 0.000 0.299 204 F C 1.140 176.884 175.800 -0.094 0.000 1.090 204 F CA -0.351 57.605 58.000 -0.074 0.000 1.392 204 F CB -0.777 38.178 39.000 -0.076 0.000 1.053 204 F HN -0.174 nan 8.300 nan 0.000 0.521 205 I N 2.568 123.126 120.570 -0.019 0.000 2.919 205 I HA -0.223 3.947 4.170 0.000 0.000 0.299 205 I C 0.869 176.998 176.117 0.020 0.000 1.221 205 I CA 0.432 61.713 61.300 -0.032 0.000 1.424 205 I CB 0.159 38.094 38.000 -0.109 0.000 1.358 205 I HN 0.213 nan 8.210 nan 0.000 0.551 206 N N 5.370 124.089 118.700 0.032 0.000 2.184 206 N HA 0.057 4.797 4.740 0.000 0.000 0.206 206 N C -0.281 175.240 175.510 0.019 0.000 1.151 206 N CA -0.133 52.934 53.050 0.029 0.000 0.878 206 N CB 0.418 38.926 38.487 0.034 0.000 1.014 206 N HN 0.464 nan 8.380 nan 0.000 0.512 207 K N 0.926 121.337 120.400 0.018 0.000 2.920 207 K HA 0.275 4.595 4.320 0.000 0.000 0.175 207 K C -2.163 174.446 176.600 0.016 0.000 1.099 207 K CA -1.547 54.749 56.287 0.016 0.000 0.939 207 K CB 2.025 34.535 32.500 0.016 0.000 1.148 207 K HN -0.079 nan 8.250 nan 0.000 0.613 208 P HA -0.180 nan 4.420 nan 0.000 0.224 208 P C 0.204 177.513 177.300 0.014 0.000 1.142 208 P CA 1.214 64.320 63.100 0.009 0.000 0.778 208 P CB 0.402 32.105 31.700 0.005 0.000 0.764 209 E N -0.984 119.226 120.200 0.016 0.000 2.299 209 E HA -0.031 4.319 4.350 0.000 0.000 0.193 209 E C 1.458 178.073 176.600 0.025 0.000 0.998 209 E CA 1.068 57.478 56.400 0.017 0.000 0.851 209 E CB -0.905 28.804 29.700 0.014 0.000 0.795 209 E HN 0.256 nan 8.360 nan 0.000 0.492 210 T N -0.661 113.911 114.554 0.031 0.000 3.086 210 T HA 0.208 4.558 4.350 0.000 0.000 0.250 210 T C 1.215 175.950 174.700 0.058 0.000 1.074 210 T CA 0.265 62.391 62.100 0.044 0.000 0.988 210 T CB 0.311 69.204 68.868 0.041 0.000 0.988 210 T HN 0.306 nan 8.240 nan 0.000 0.530 211 G N 1.829 110.659 108.800 0.051 0.000 2.393 211 G HA2 0.055 4.015 3.960 0.000 0.000 0.299 211 G HA3 0.055 4.015 3.960 0.000 0.000 0.299 211 G C 0.048 175.022 174.900 0.123 0.000 0.990 211 G CA 0.145 45.285 45.100 0.067 0.000 1.118 211 G HN 0.972 nan 8.290 nan 0.000 0.513 212 A N -1.172 121.702 122.820 0.091 0.000 2.587 212 A HA 0.866 5.186 4.320 0.000 0.000 0.293 212 A C -0.473 177.159 177.584 0.079 0.000 1.087 212 A CA -0.293 51.818 52.037 0.122 0.000 0.692 212 A CB 1.889 20.944 19.000 0.092 0.000 1.291 212 A HN 1.261 nan 8.150 nan 0.000 0.407 213 V N 0.927 120.900 119.914 0.098 0.000 2.427 213 V HA 0.538 4.658 4.120 0.000 0.000 0.286 213 V C -0.037 176.078 176.094 0.034 0.000 1.034 213 V CA -0.249 62.089 62.300 0.064 0.000 0.893 213 V CB 1.361 33.231 31.823 0.078 0.000 0.982 213 V HN 0.883 nan 8.190 nan 0.000 0.452 214 E N 4.404 124.616 120.200 0.020 0.000 2.325 214 E HA 0.509 4.859 4.350 0.000 0.000 0.248 214 E C -1.500 175.099 176.600 -0.001 0.000 0.912 214 E CA -0.391 56.011 56.400 0.003 0.000 0.782 214 E CB 1.352 31.053 29.700 0.003 0.000 1.264 214 E HN 0.588 nan 8.360 nan 0.000 0.417 215 L N 2.872 124.089 121.223 -0.011 0.000 2.325 215 L HA 0.457 4.797 4.340 0.000 0.000 0.278 215 L C 0.061 176.917 176.870 -0.022 0.000 1.023 215 L CA -0.669 54.163 54.840 -0.012 0.000 0.811 215 L CB 1.548 43.598 42.059 -0.015 0.000 1.249 215 L HN 0.354 nan 8.230 nan 0.000 0.431 216 E N 1.717 121.903 120.200 -0.023 0.000 2.129 216 E HA 0.233 4.583 4.350 0.000 0.000 0.268 216 E C -0.223 176.343 176.600 -0.056 0.000 0.900 216 E CA -0.372 56.007 56.400 -0.035 0.000 0.755 216 E CB 1.605 31.289 29.700 -0.027 0.000 1.117 216 E HN 0.642 nan 8.360 nan 0.000 0.410 217 S N 1.740 117.393 115.700 -0.079 0.000 3.635 217 S HA -0.103 4.367 4.470 0.000 0.000 0.328 217 S C -2.203 172.277 174.600 -0.199 0.000 1.135 217 S CA 0.150 58.270 58.200 -0.133 0.000 0.942 217 S CB -0.979 62.142 63.200 -0.132 0.000 0.930 217 S HN 0.479 nan 8.310 nan 0.000 0.512 218 P HA 0.353 nan 4.420 nan 0.000 0.274 218 P C 0.155 177.365 177.300 -0.150 0.000 1.231 218 P CA -0.356 62.687 63.100 -0.094 0.000 0.790 218 P CB 0.327 32.015 31.700 -0.020 0.000 0.951 219 F N 1.069 121.018 119.950 -0.002 0.000 2.410 219 F HA 0.322 4.849 4.527 0.000 0.000 0.334 219 F C 1.056 176.856 175.800 0.001 0.000 1.134 219 F CA 0.067 58.067 58.000 0.000 0.000 1.227 219 F CB 0.314 39.314 39.000 0.001 0.000 1.194 219 F HN 0.070 nan 8.300 nan 0.000 0.571 220 I N 3.933 124.624 120.570 0.201 0.000 2.439 220 I HA 0.199 4.369 4.170 0.000 0.000 0.283 220 I C -1.076 175.099 176.117 0.097 0.000 1.023 220 I CA -0.819 60.550 61.300 0.116 0.000 1.100 220 I CB 1.535 39.585 38.000 0.084 0.000 1.238 220 I HN 0.283 nan 8.210 nan 0.000 0.445 221 L N 8.075 129.341 121.223 0.071 0.000 2.360 221 L HA 0.338 4.678 4.340 0.000 0.000 0.276 221 L C -0.572 176.320 176.870 0.037 0.000 1.121 221 L CA 0.395 55.261 54.840 0.044 0.000 0.845 221 L CB 0.447 42.524 42.059 0.030 0.000 1.143 221 L HN 0.525 nan 8.230 nan 0.000 0.452 222 L N 6.760 127.999 121.223 0.027 0.000 2.709 222 L HA 0.511 4.851 4.340 0.000 0.000 0.236 222 L C 0.216 177.089 176.870 0.005 0.000 1.266 222 L CA -0.289 54.560 54.840 0.015 0.000 0.987 222 L CB 0.466 42.532 42.059 0.012 0.000 1.306 222 L HN 0.804 nan 8.230 nan 0.000 0.467 223 A N 0.037 122.861 122.820 0.008 0.000 2.328 223 A HA 0.309 4.629 4.320 0.000 0.000 0.284 223 A C -0.163 177.421 177.584 0.000 0.000 1.160 223 A CA -0.312 51.728 52.037 0.005 0.000 0.818 223 A CB 0.435 19.442 19.000 0.010 0.000 1.087 223 A HN 0.477 nan 8.150 nan 0.000 0.504 224 D N 1.744 122.142 120.400 -0.002 0.000 2.557 224 D HA 0.434 5.074 4.640 0.000 0.000 0.236 224 D C -0.192 176.110 176.300 0.003 0.000 1.154 224 D CA -0.058 53.940 54.000 -0.004 0.000 0.985 224 D CB -0.482 40.313 40.800 -0.010 0.000 1.010 224 D HN 0.662 nan 8.370 nan 0.000 0.516 225 K N -0.268 120.137 120.400 0.008 0.000 2.772 225 K HA 0.269 4.589 4.320 0.000 0.000 0.292 225 K C -1.420 175.192 176.600 0.019 0.000 1.049 225 K CA -1.121 55.174 56.287 0.013 0.000 0.846 225 K CB 0.595 33.102 32.500 0.012 0.000 1.514 225 K HN -0.146 nan 8.250 nan 0.000 0.373 226 K N 1.555 121.968 120.400 0.022 0.000 2.276 226 K HA 0.344 4.664 4.320 0.000 0.000 0.285 226 K C -0.517 176.100 176.600 0.028 0.000 1.062 226 K CA -0.401 55.903 56.287 0.028 0.000 0.918 226 K CB 0.619 33.135 32.500 0.028 0.000 1.055 226 K HN 0.374 nan 8.250 nan 0.000 0.477 227 I N 2.735 123.325 120.570 0.034 0.000 2.297 227 I HA 0.009 4.179 4.170 0.000 0.000 0.291 227 I C 0.728 176.868 176.117 0.039 0.000 1.033 227 I CA 0.122 61.443 61.300 0.035 0.000 1.253 227 I CB 1.361 39.384 38.000 0.038 0.000 1.396 227 I HN 0.682 nan 8.210 nan 0.000 0.476 228 S N 4.040 119.759 115.700 0.032 0.000 2.591 228 S HA 0.189 4.659 4.470 0.000 0.000 0.235 228 S C 0.617 175.235 174.600 0.029 0.000 1.074 228 S CA -0.023 58.196 58.200 0.031 0.000 0.925 228 S CB 0.293 63.508 63.200 0.025 0.000 0.818 228 S HN 0.608 nan 8.310 nan 0.000 0.535 229 N N 1.583 120.298 118.700 0.025 0.000 2.430 229 N HA 0.322 5.062 4.740 0.000 0.000 0.292 229 N C 0.097 175.621 175.510 0.023 0.000 1.051 229 N CA -0.253 52.810 53.050 0.021 0.000 0.917 229 N CB 1.843 40.340 38.487 0.016 0.000 1.164 229 N HN 0.071 nan 8.380 nan 0.000 0.484 230 I N 1.841 122.425 120.570 0.023 0.000 3.001 230 I HA -0.121 4.049 4.170 0.000 0.000 0.268 230 I C 2.037 178.164 176.117 0.016 0.000 1.267 230 I CA 0.670 61.984 61.300 0.023 0.000 1.472 230 I CB 0.097 38.112 38.000 0.025 0.000 1.089 230 I HN 0.466 nan 8.210 nan 0.000 0.468 231 R N 0.848 121.356 120.500 0.012 0.000 2.083 231 R HA -0.219 4.121 4.340 0.000 0.000 0.237 231 R C 1.904 178.208 176.300 0.006 0.000 1.137 231 R CA 2.005 58.110 56.100 0.008 0.000 0.951 231 R CB -0.179 30.125 30.300 0.007 0.000 0.851 231 R HN 0.467 nan 8.270 nan 0.000 0.434 232 E N -0.296 119.909 120.200 0.008 0.000 2.267 232 E HA -0.203 4.147 4.350 0.000 0.000 0.197 232 E C 1.840 178.443 176.600 0.004 0.000 0.998 232 E CA 0.929 57.333 56.400 0.006 0.000 0.830 232 E CB 0.002 29.707 29.700 0.009 0.000 0.751 232 E HN 0.281 nan 8.360 nan 0.000 0.491 233 M N 0.039 119.644 119.600 0.008 0.000 2.248 233 M HA -0.002 4.478 4.480 0.000 0.000 0.265 233 M C 2.289 178.588 176.300 -0.002 0.000 1.079 233 M CA 0.950 56.254 55.300 0.006 0.000 1.150 233 M CB -0.579 32.030 32.600 0.016 0.000 1.366 233 M HN 0.159 nan 8.290 nan 0.000 0.433 234 L N 0.621 121.844 121.223 -0.000 0.000 2.189 234 L HA -0.204 4.136 4.340 0.000 0.000 0.214 234 L C -0.367 176.496 176.870 -0.013 0.000 1.097 234 L CA 1.385 56.223 54.840 -0.004 0.000 0.764 234 L CB -2.052 40.006 42.059 -0.001 0.000 0.900 234 L HN 0.201 nan 8.230 nan 0.000 0.436 235 P HA -0.101 nan 4.420 nan 0.000 0.217 235 P C 1.840 179.117 177.300 -0.040 0.000 1.151 235 P CA 1.235 64.320 63.100 -0.025 0.000 0.828 235 P CB 0.144 31.830 31.700 -0.023 0.000 0.788 236 V N 0.341 120.231 119.914 -0.040 0.000 2.407 236 V HA -0.135 3.985 4.120 0.000 0.000 0.245 236 V C 2.773 178.830 176.094 -0.062 0.000 1.041 236 V CA 1.214 63.478 62.300 -0.060 0.000 1.040 236 V CB -1.151 30.644 31.823 -0.048 0.000 0.671 236 V HN -0.012 nan 8.190 nan 0.000 0.455 237 L N -0.279 120.924 121.223 -0.032 0.000 2.353 237 L HA -0.169 4.171 4.340 0.000 0.000 0.220 237 L C 2.442 179.298 176.870 -0.023 0.000 1.133 237 L CA 1.367 56.196 54.840 -0.019 0.000 0.798 237 L CB -0.299 41.761 42.059 0.001 0.000 0.922 237 L HN 0.433 nan 8.230 nan 0.000 0.445 238 E N -0.510 119.671 120.200 -0.032 0.000 2.170 238 E HA -0.084 4.266 4.350 0.000 0.000 0.191 238 E C 2.245 178.818 176.600 -0.046 0.000 0.981 238 E CA 0.757 57.139 56.400 -0.030 0.000 0.830 238 E CB 0.099 29.784 29.700 -0.026 0.000 0.775 238 E HN 0.461 nan 8.360 nan 0.000 0.470 239 A N 0.438 123.212 122.820 -0.076 0.000 1.929 239 A HA -0.078 4.242 4.320 0.000 0.000 0.216 239 A C 2.315 179.810 177.584 -0.148 0.000 1.176 239 A CA 0.714 52.683 52.037 -0.113 0.000 0.628 239 A CB -0.350 18.560 19.000 -0.150 0.000 0.816 239 A HN 0.123 nan 8.150 nan 0.000 0.444 240 V N -0.151 119.673 119.914 -0.150 0.000 2.358 240 V HA -0.205 3.915 4.120 0.000 0.000 0.246 240 V C 3.030 179.122 176.094 -0.003 0.000 1.047 240 V CA 1.838 64.070 62.300 -0.113 0.000 1.035 240 V CB -0.972 30.810 31.823 -0.068 0.000 0.658 240 V HN 0.586 nan 8.190 nan 0.000 0.452 241 A N -0.838 121.980 122.820 -0.004 0.000 2.019 241 A HA -0.212 4.108 4.320 0.000 0.000 0.219 241 A C 2.276 179.870 177.584 0.017 0.000 1.164 241 A CA 1.725 53.771 52.037 0.015 0.000 0.644 241 A CB -0.347 18.658 19.000 0.008 0.000 0.805 241 A HN 0.531 nan 8.150 nan 0.000 0.449 242 K N -0.735 119.667 120.400 0.002 0.000 2.186 242 K HA 0.135 4.455 4.320 0.000 0.000 0.202 242 K C 1.876 178.492 176.600 0.028 0.000 1.052 242 K CA 0.754 57.045 56.287 0.007 0.000 0.965 242 K CB -0.103 32.392 32.500 -0.009 0.000 0.746 242 K HN 0.397 nan 8.250 nan 0.000 0.457 243 A N 0.809 123.656 122.820 0.045 0.000 2.235 243 A HA 0.115 4.435 4.320 0.000 0.000 0.208 243 A C 1.189 178.853 177.584 0.133 0.000 1.172 243 A CA 0.737 52.844 52.037 0.117 0.000 0.786 243 A CB -0.618 18.514 19.000 0.220 0.000 0.804 243 A HN 0.389 nan 8.150 nan 0.000 0.479 244 G N -0.210 108.644 108.800 0.090 0.000 2.390 244 G HA2 -0.283 3.677 3.960 0.000 0.000 0.299 244 G HA3 -0.283 3.677 3.960 0.000 0.000 0.299 244 G C 0.066 175.020 174.900 0.089 0.000 1.002 244 G CA 1.062 46.206 45.100 0.073 0.000 0.979 244 G HN 0.619 nan 8.290 nan 0.000 0.513 245 K N 0.008 120.493 120.400 0.142 0.000 2.385 245 K HA 0.552 4.872 4.320 0.000 0.000 0.248 245 K C -2.326 174.361 176.600 0.146 0.000 0.955 245 K CA -2.055 54.315 56.287 0.139 0.000 0.816 245 K CB 2.823 35.428 32.500 0.176 0.000 1.250 245 K HN 0.034 nan 8.250 nan 0.000 0.434 246 P HA 0.219 nan 4.420 nan 0.000 0.275 246 P C -1.237 176.135 177.300 0.119 0.000 1.266 246 P CA -0.568 62.580 63.100 0.081 0.000 0.793 246 P CB 0.638 32.361 31.700 0.038 0.000 1.074 247 L N 0.275 121.546 121.223 0.080 0.000 2.464 247 L HA 0.559 4.899 4.340 0.000 0.000 0.266 247 L C -1.700 175.184 176.870 0.023 0.000 0.965 247 L CA -0.883 54.010 54.840 0.089 0.000 0.833 247 L CB 1.767 43.879 42.059 0.089 0.000 1.296 247 L HN 0.152 nan 8.230 nan 0.000 0.405 248 L N 5.713 126.955 121.223 0.031 0.000 2.296 248 L HA 0.636 4.976 4.340 0.000 0.000 0.286 248 L C -0.976 175.903 176.870 0.015 0.000 1.023 248 L CA -0.274 54.563 54.840 -0.005 0.000 0.812 248 L CB 1.203 43.267 42.059 0.008 0.000 1.223 248 L HN 0.482 nan 8.230 nan 0.000 0.421 249 I N 6.859 127.422 120.570 -0.011 0.000 2.315 249 I HA 0.281 4.451 4.170 0.000 0.000 0.291 249 I C -0.115 176.023 176.117 0.035 0.000 1.006 249 I CA -0.166 61.142 61.300 0.014 0.000 1.265 249 I CB 1.039 39.044 38.000 0.008 0.000 1.387 249 I HN 0.559 nan 8.210 nan 0.000 0.475 250 I N 5.877 126.478 120.570 0.050 0.000 2.621 250 I HA 0.450 4.620 4.170 0.000 0.000 0.276 250 I C 0.391 176.523 176.117 0.025 0.000 1.118 250 I CA -0.150 61.188 61.300 0.062 0.000 1.159 250 I CB 1.019 39.068 38.000 0.081 0.000 1.357 250 I HN 0.666 nan 8.210 nan 0.000 0.513 251 A N 3.421 126.259 122.820 0.029 0.000 0.000 251 A HA 0.448 4.768 4.320 0.000 0.000 0.000 251 A C 1.163 178.759 177.584 0.019 0.000 0.000 251 A CA -0.447 51.601 52.037 0.019 0.000 0.000 251 A CB 1.044 20.059 19.000 0.026 0.000 0.000 251 A HN 0.653 nan 8.150 nan 0.000 0.000 252 E N -0.810 119.401 120.200 0.017 0.000 2.085 252 E HA -0.172 4.178 4.350 0.000 0.000 0.194 252 E C -0.164 176.459 176.600 0.039 0.000 0.994 252 E CA 1.822 58.236 56.400 0.024 0.000 0.801 252 E CB 0.124 29.839 29.700 0.025 0.000 0.743 252 E HN 0.605 nan 8.360 nan 0.000 0.453 253 D N -2.090 118.335 120.400 0.043 0.000 2.671 253 D HA 0.256 4.896 4.640 0.000 0.000 0.273 253 D C -1.905 174.430 176.300 0.059 0.000 1.264 253 D CA -0.544 53.489 54.000 0.055 0.000 0.788 253 D CB 2.128 42.958 40.800 0.051 0.000 1.324 253 D HN -0.104 nan 8.370 nan 0.000 0.424 254 V N 1.659 121.618 119.914 0.075 0.000 2.524 254 V HA 0.441 4.561 4.120 0.000 0.000 0.297 254 V C -0.367 175.778 176.094 0.085 0.000 1.035 254 V CA -0.636 61.714 62.300 0.082 0.000 0.867 254 V CB 1.761 33.647 31.823 0.105 0.000 1.004 254 V HN 0.413 nan 8.190 nan 0.000 0.426 255 E N 2.216 122.456 120.200 0.067 0.000 2.227 255 E HA 0.598 4.948 4.350 0.000 0.000 0.268 255 E C 1.084 177.715 176.600 0.052 0.000 0.907 255 E CA 0.110 56.544 56.400 0.057 0.000 0.786 255 E CB 2.215 31.941 29.700 0.043 0.000 1.191 255 E HN 0.807 nan 8.360 nan 0.000 0.411 256 G N 2.854 111.681 108.800 0.046 0.000 2.850 256 G HA2 -0.486 3.474 3.960 0.000 0.000 0.353 256 G HA3 -0.486 3.474 3.960 0.000 0.000 0.353 256 G C 1.204 176.126 174.900 0.037 0.000 0.983 256 G CA 1.276 46.399 45.100 0.037 0.000 0.832 256 G HN 0.710 nan 8.290 nan 0.000 0.889 257 E N 1.017 121.235 120.200 0.030 0.000 2.054 257 E HA -0.268 4.082 4.350 0.000 0.000 0.225 257 E C 3.011 179.632 176.600 0.035 0.000 1.048 257 E CA 2.511 58.928 56.400 0.027 0.000 0.899 257 E CB -0.864 28.849 29.700 0.023 0.000 0.801 257 E HN 0.796 nan 8.360 nan 0.000 0.495 258 A N 0.812 123.658 122.820 0.042 0.000 1.978 258 A HA -0.189 4.131 4.320 0.000 0.000 0.220 258 A C 2.239 179.869 177.584 0.077 0.000 1.170 258 A CA 1.617 53.687 52.037 0.054 0.000 0.636 258 A CB -0.630 18.402 19.000 0.053 0.000 0.810 258 A HN 0.370 nan 8.150 nan 0.000 0.448 259 L N -0.192 121.082 121.223 0.084 0.000 1.961 259 L HA -0.032 4.308 4.340 0.000 0.000 0.210 259 L C 2.681 179.594 176.870 0.072 0.000 1.072 259 L CA 2.411 57.319 54.840 0.113 0.000 0.749 259 L CB -0.941 41.183 42.059 0.109 0.000 0.889 259 L HN 0.305 nan 8.230 nan 0.000 0.432 260 A N -1.808 121.035 122.820 0.038 0.000 2.131 260 A HA -0.184 4.136 4.320 0.000 0.000 0.220 260 A C 2.107 179.689 177.584 -0.003 0.000 1.158 260 A CA 2.111 54.151 52.037 0.005 0.000 0.665 260 A CB -1.137 17.866 19.000 0.005 0.000 0.795 260 A HN 0.626 nan 8.150 nan 0.000 0.460 261 T N 0.201 114.768 114.554 0.022 0.000 2.698 261 T HA -0.023 4.327 4.350 0.000 0.000 0.260 261 T C 1.800 176.523 174.700 0.038 0.000 1.044 261 T CA 1.284 63.398 62.100 0.022 0.000 1.149 261 T CB -0.387 68.500 68.868 0.032 0.000 0.864 261 T HN 0.357 nan 8.240 nan 0.000 0.419 262 L N 1.114 122.389 121.223 0.087 0.000 2.131 262 L HA -0.096 4.244 4.340 0.000 0.000 0.210 262 L C 2.638 179.589 176.870 0.135 0.000 1.092 262 L CA 0.629 55.560 54.840 0.151 0.000 0.759 262 L CB -0.704 41.504 42.059 0.247 0.000 0.903 262 L HN 0.141 nan 8.230 nan 0.000 0.435 263 V N -0.659 119.260 119.914 0.007 0.000 2.233 263 V HA -0.259 3.861 4.120 0.000 0.000 0.247 263 V C 2.223 178.241 176.094 -0.126 0.000 1.050 263 V CA 1.756 63.953 62.300 -0.172 0.000 1.010 263 V CB -0.342 31.363 31.823 -0.196 0.000 0.637 263 V HN 0.233 nan 8.190 nan 0.000 0.444 264 V N 0.208 120.064 119.914 -0.097 0.000 3.305 264 V HA -0.127 3.993 4.120 0.000 0.000 0.269 264 V C 1.878 177.943 176.094 -0.050 0.000 1.157 264 V CA 1.514 63.754 62.300 -0.100 0.000 1.157 264 V CB -1.233 30.535 31.823 -0.092 0.000 0.772 264 V HN 0.592 nan 8.190 nan 0.000 0.498 265 N N 0.389 119.084 118.700 -0.009 0.000 2.416 265 N HA -0.095 4.645 4.740 0.000 0.000 0.177 265 N C 1.885 177.415 175.510 0.032 0.000 1.036 265 N CA 1.337 54.398 53.050 0.018 0.000 0.901 265 N CB 0.271 38.784 38.487 0.044 0.000 0.976 265 N HN 0.641 nan 8.380 nan 0.000 0.444 266 T N -2.314 112.268 114.554 0.046 0.000 3.040 266 T HA 0.134 4.484 4.350 0.000 0.000 0.250 266 T C 1.618 176.324 174.700 0.009 0.000 1.058 266 T CA -0.133 62.003 62.100 0.060 0.000 0.988 266 T CB 0.172 69.134 68.868 0.157 0.000 0.993 266 T HN -0.085 nan 8.240 nan 0.000 0.519 267 M N 2.157 121.731 119.600 -0.044 0.000 2.077 267 M HA 0.180 4.660 4.480 0.000 0.000 0.261 267 M C 2.117 178.381 176.300 -0.060 0.000 1.070 267 M CA 1.631 56.879 55.300 -0.087 0.000 1.125 267 M CB -0.145 32.358 32.600 -0.162 0.000 1.339 267 M HN 0.178 nan 8.290 nan 0.000 0.409 268 R N -0.476 119.995 120.500 -0.048 0.000 2.310 268 R HA 0.353 4.693 4.340 0.000 0.000 0.202 268 R C 0.838 177.127 176.300 -0.017 0.000 0.933 268 R CA 0.547 56.627 56.100 -0.034 0.000 1.054 268 R CB -0.422 29.858 30.300 -0.033 0.000 0.985 268 R HN 0.541 nan 8.270 nan 0.000 0.489 269 G N 1.781 110.578 108.800 -0.005 0.000 2.295 269 G HA2 -0.255 3.705 3.960 0.000 0.000 0.287 269 G HA3 -0.255 3.705 3.960 0.000 0.000 0.287 269 G C 0.524 175.430 174.900 0.011 0.000 1.055 269 G CA 0.236 45.341 45.100 0.008 0.000 0.922 269 G HN 0.360 nan 8.290 nan 0.000 0.503 270 I N -1.333 119.244 120.570 0.012 0.000 2.296 270 I HA 0.058 4.228 4.170 0.000 0.000 0.242 270 I C 0.912 177.042 176.117 0.022 0.000 1.087 270 I CA 1.150 62.458 61.300 0.013 0.000 1.393 270 I CB -0.019 37.986 38.000 0.009 0.000 1.093 270 I HN 0.133 nan 8.210 nan 0.000 0.421 271 V N 0.853 120.786 119.914 0.033 0.000 2.525 271 V HA 0.310 4.430 4.120 0.000 0.000 0.299 271 V C -0.659 175.469 176.094 0.058 0.000 1.034 271 V CA -1.158 61.167 62.300 0.042 0.000 0.863 271 V CB 1.414 33.262 31.823 0.041 0.000 0.999 271 V HN 0.056 nan 8.190 nan 0.000 0.423 272 K N 2.844 123.278 120.400 0.058 0.000 2.379 272 K HA 0.624 4.944 4.320 0.000 0.000 0.284 272 K C -0.589 176.052 176.600 0.069 0.000 1.044 272 K CA 0.202 56.532 56.287 0.071 0.000 0.974 272 K CB 1.088 33.621 32.500 0.055 0.000 0.962 272 K HN 0.566 nan 8.250 nan 0.000 0.474 273 V N 1.212 121.180 119.914 0.090 0.000 3.087 273 V HA 0.830 4.950 4.120 0.000 0.000 0.306 273 V C -1.216 174.800 176.094 -0.130 0.000 1.187 273 V CA -1.025 61.291 62.300 0.026 0.000 0.999 273 V CB 2.218 34.084 31.823 0.071 0.000 1.049 273 V HN 0.807 nan 8.190 nan 0.000 0.431 274 A N 1.913 124.512 122.820 -0.367 0.000 2.549 274 A HA 1.026 5.346 4.320 0.000 0.000 0.297 274 A C -0.871 176.336 177.584 -0.628 0.000 1.061 274 A CA -0.087 51.367 52.037 -0.971 0.000 0.690 274 A CB 1.987 20.628 19.000 -0.598 0.000 1.287 274 A HN 1.859 nan 8.150 nan 0.000 0.402 275 A N 0.622 122.999 122.820 -0.738 0.000 2.414 275 A HA 0.868 5.188 4.320 0.000 0.000 0.306 275 A C -0.588 176.968 177.584 -0.047 0.000 1.054 275 A CA -0.118 51.792 52.037 -0.210 0.000 0.724 275 A CB 1.445 20.414 19.000 -0.052 0.000 1.267 275 A HN 2.296 nan 8.150 nan 0.000 0.418 276 V N -0.703 119.235 119.914 0.040 0.000 2.888 276 V HA 0.582 4.702 4.120 0.000 0.000 0.309 276 V C -0.407 175.766 176.094 0.132 0.000 1.114 276 V CA -1.269 61.098 62.300 0.111 0.000 0.940 276 V CB 1.380 33.284 31.823 0.134 0.000 1.021 276 V HN 0.892 nan 8.190 nan 0.000 0.426 277 K N 1.991 122.469 120.400 0.129 0.000 2.440 277 K HA 0.525 4.845 4.320 0.000 0.000 0.270 277 K C 0.591 177.246 176.600 0.091 0.000 0.980 277 K CA 0.513 56.859 56.287 0.099 0.000 0.953 277 K CB 0.792 33.346 32.500 0.090 0.000 0.925 277 K HN 1.123 nan 8.250 nan 0.000 0.497 278 A N 3.667 126.492 122.820 0.009 0.000 2.332 278 A HA 0.286 4.606 4.320 0.000 0.000 0.258 278 A C -2.127 175.367 177.584 -0.149 0.000 1.087 278 A CA -1.227 50.736 52.037 -0.124 0.000 0.802 278 A CB -0.220 18.713 19.000 -0.111 0.000 1.042 278 A HN 0.474 nan 8.150 nan 0.000 0.489 279 P HA 0.396 nan 4.420 nan 0.000 0.275 279 P C 0.561 177.808 177.300 -0.088 0.000 1.227 279 P CA 1.412 64.370 63.100 -0.237 0.000 0.781 279 P CB 0.591 32.013 31.700 -0.463 0.000 0.906 280 G N 2.406 111.225 108.800 0.032 0.000 2.877 280 G HA2 -0.071 3.889 3.960 0.000 0.000 0.279 280 G HA3 -0.071 3.889 3.960 0.000 0.000 0.279 280 G C -0.872 174.124 174.900 0.159 0.000 1.431 280 G CA -0.161 44.989 45.100 0.084 0.000 0.883 280 G HN 0.689 nan 8.290 nan 0.000 0.547 281 F N -1.470 118.480 119.950 0.001 0.000 2.588 281 F HA 0.813 5.340 4.527 0.000 0.000 0.310 281 F C 0.987 176.792 175.800 0.009 0.000 1.082 281 F CA 0.075 58.078 58.000 0.004 0.000 0.929 281 F CB 1.312 40.320 39.000 0.014 0.000 1.254 281 F HN 2.375 nan 8.300 nan 0.000 0.455 282 G N 2.249 111.114 108.800 0.108 0.000 2.543 282 G HA2 -0.335 3.625 3.960 0.000 0.000 0.286 282 G HA3 -0.335 3.625 3.960 0.000 0.000 0.286 282 G C 0.348 175.221 174.900 -0.045 0.000 1.153 282 G CA 0.676 45.799 45.100 0.038 0.000 0.968 282 G HN 0.738 nan 8.290 nan 0.000 0.544 283 D N 1.277 121.629 120.400 -0.080 0.000 2.084 283 D HA -0.027 4.613 4.640 0.000 0.000 0.196 283 D C 2.524 178.766 176.300 -0.097 0.000 0.985 283 D CA 1.696 55.654 54.000 -0.071 0.000 0.826 283 D CB -0.330 40.436 40.800 -0.057 0.000 0.978 283 D HN 0.682 nan 8.370 nan 0.000 0.456 284 R N 0.763 121.171 120.500 -0.154 0.000 2.339 284 R HA 0.140 4.480 4.340 0.000 0.000 0.199 284 R C 1.967 178.185 176.300 -0.136 0.000 1.018 284 R CA 0.213 56.225 56.100 -0.146 0.000 1.036 284 R CB -0.202 29.996 30.300 -0.170 0.000 0.899 284 R HN 0.104 nan 8.270 nan 0.000 0.473 285 R N 2.280 122.707 120.500 -0.122 0.000 2.062 285 R HA -0.071 4.269 4.340 0.000 0.000 0.229 285 R C 1.252 177.504 176.300 -0.079 0.000 1.128 285 R CA 1.451 57.497 56.100 -0.089 0.000 0.960 285 R CB 0.036 30.309 30.300 -0.044 0.000 0.855 285 R HN 0.162 nan 8.270 nan 0.000 0.432 286 K N 0.219 120.582 120.400 -0.062 0.000 2.097 286 K HA -0.022 4.298 4.320 0.000 0.000 0.205 286 K C 2.124 178.691 176.600 -0.054 0.000 1.050 286 K CA 1.231 57.489 56.287 -0.050 0.000 0.938 286 K CB -0.099 32.380 32.500 -0.035 0.000 0.718 286 K HN 0.246 nan 8.250 nan 0.000 0.442 287 A N 1.332 124.116 122.820 -0.060 0.000 1.877 287 A HA -0.165 4.155 4.320 0.000 0.000 0.216 287 A C 2.138 179.682 177.584 -0.067 0.000 1.186 287 A CA 1.505 53.508 52.037 -0.058 0.000 0.620 287 A CB -0.419 18.545 19.000 -0.060 0.000 0.822 287 A HN 0.168 nan 8.150 nan 0.000 0.443 288 M N -1.067 118.481 119.600 -0.087 0.000 2.200 288 M HA -0.013 4.467 4.480 0.000 0.000 0.265 288 M C 2.250 178.475 176.300 -0.124 0.000 1.066 288 M CA 1.047 56.284 55.300 -0.106 0.000 1.127 288 M CB -0.355 32.166 32.600 -0.132 0.000 1.379 288 M HN 0.476 nan 8.290 nan 0.000 0.420 289 L N 0.058 121.209 121.223 -0.120 0.000 2.056 289 L HA -0.247 4.093 4.340 0.000 0.000 0.207 289 L C 2.609 179.437 176.870 -0.070 0.000 1.078 289 L CA 1.376 56.148 54.840 -0.113 0.000 0.749 289 L CB -0.304 41.702 42.059 -0.089 0.000 0.901 289 L HN 0.278 nan 8.230 nan 0.000 0.433 290 Q N 0.314 120.082 119.800 -0.054 0.000 2.152 290 Q HA -0.258 4.082 4.340 0.000 0.000 0.206 290 Q C 1.613 177.595 176.000 -0.030 0.000 0.985 290 Q CA 2.036 57.818 55.803 -0.035 0.000 0.863 290 Q CB -0.292 28.428 28.738 -0.031 0.000 0.904 290 Q HN 0.465 nan 8.270 nan 0.000 0.422 291 D N -0.631 119.746 120.400 -0.039 0.000 2.144 291 D HA -0.115 4.525 4.640 0.000 0.000 0.199 291 D C 1.768 178.060 176.300 -0.013 0.000 0.984 291 D CA 1.161 55.145 54.000 -0.026 0.000 0.834 291 D CB -0.126 40.655 40.800 -0.032 0.000 0.955 291 D HN 0.384 nan 8.370 nan 0.000 0.465 292 I N 0.690 121.248 120.570 -0.020 0.000 2.439 292 I HA -0.162 4.008 4.170 0.000 0.000 0.251 292 I C 2.392 178.518 176.117 0.015 0.000 1.139 292 I CA 0.540 61.846 61.300 0.010 0.000 1.438 292 I CB -0.286 37.717 38.000 0.005 0.000 1.085 292 I HN -0.082 nan 8.210 nan 0.000 0.427 293 A N 1.470 124.290 122.820 0.001 0.000 1.849 293 A HA -0.257 4.063 4.320 0.000 0.000 0.217 293 A C 2.414 180.004 177.584 0.010 0.000 1.202 293 A CA 2.907 54.949 52.037 0.008 0.000 0.629 293 A CB -1.365 17.634 19.000 -0.001 0.000 0.834 293 A HN 0.391 nan 8.150 nan 0.000 0.447 294 T N 0.421 114.977 114.554 0.003 0.000 2.721 294 T HA -0.179 4.171 4.350 0.000 0.000 0.268 294 T C 1.783 176.488 174.700 0.008 0.000 1.038 294 T CA 1.408 63.510 62.100 0.004 0.000 1.145 294 T CB -0.354 68.513 68.868 -0.002 0.000 0.858 294 T HN 0.292 nan 8.240 nan 0.000 0.459 295 L N 1.664 122.894 121.223 0.012 0.000 2.072 295 L HA -0.033 4.307 4.340 0.000 0.000 0.205 295 L C 2.394 179.274 176.870 0.016 0.000 1.079 295 L CA 2.224 57.073 54.840 0.015 0.000 0.752 295 L CB -1.163 40.911 42.059 0.025 0.000 0.906 295 L HN 0.479 nan 8.230 nan 0.000 0.436 296 T N -3.939 110.628 114.554 0.022 0.000 3.122 296 T HA 0.210 4.560 4.350 0.000 0.000 0.250 296 T C 1.228 175.943 174.700 0.025 0.000 1.067 296 T CA 0.306 62.419 62.100 0.022 0.000 0.966 296 T CB -0.214 68.674 68.868 0.033 0.000 1.002 296 T HN 0.494 nan 8.240 nan 0.000 0.542 297 G N 0.808 109.621 108.800 0.021 0.000 2.390 297 G HA2 -0.016 3.944 3.960 0.000 0.000 0.299 297 G HA3 -0.016 3.944 3.960 0.000 0.000 0.299 297 G C 0.393 175.313 174.900 0.033 0.000 1.002 297 G CA -0.055 45.059 45.100 0.023 0.000 0.979 297 G HN 1.034 nan 8.290 nan 0.000 0.513 298 G N -1.467 107.353 108.800 0.033 0.000 2.521 298 G HA2 0.714 4.674 3.960 0.000 0.000 0.323 298 G HA3 0.714 4.674 3.960 0.000 0.000 0.323 298 G C -0.188 174.727 174.900 0.024 0.000 1.211 298 G CA 0.103 45.227 45.100 0.039 0.000 0.979 298 G HN 0.516 nan 8.290 nan 0.000 0.490 299 T N 0.248 114.815 114.554 0.022 0.000 2.794 299 T HA 0.413 4.763 4.350 0.000 0.000 0.280 299 T C 0.074 174.779 174.700 0.008 0.000 0.987 299 T CA -0.287 61.821 62.100 0.012 0.000 0.993 299 T CB 1.699 70.573 68.868 0.009 0.000 0.939 299 T HN 0.283 nan 8.240 nan 0.000 0.449 300 V N 4.705 124.620 119.914 0.002 0.000 2.530 300 V HA 0.268 4.388 4.120 0.000 0.000 0.282 300 V C 0.411 176.504 176.094 -0.002 0.000 1.048 300 V CA -0.419 61.880 62.300 -0.002 0.000 0.997 300 V CB 0.594 32.411 31.823 -0.010 0.000 0.987 300 V HN 0.781 nan 8.190 nan 0.000 0.477 301 I N 5.119 125.689 120.570 -0.001 0.000 2.268 301 I HA 0.211 4.381 4.170 0.000 0.000 0.290 301 I C 0.247 176.363 176.117 -0.002 0.000 1.125 301 I CA 0.071 61.370 61.300 -0.001 0.000 1.236 301 I CB 0.486 38.487 38.000 0.001 0.000 1.469 301 I HN 0.616 nan 8.210 nan 0.000 0.512 302 S N 3.707 119.405 115.700 -0.003 0.000 2.422 302 S HA 0.264 4.734 4.470 0.000 0.000 0.298 302 S C 0.863 175.462 174.600 -0.001 0.000 1.118 302 S CA -0.826 57.372 58.200 -0.003 0.000 1.083 302 S CB 1.865 65.062 63.200 -0.005 0.000 0.971 302 S HN 0.536 nan 8.310 nan 0.000 0.478 303 E N 2.008 122.208 120.200 0.001 0.000 2.273 303 E HA -0.200 4.150 4.350 0.000 0.000 0.198 303 E C 0.696 177.297 176.600 0.001 0.000 1.002 303 E CA 1.115 57.516 56.400 0.002 0.000 0.828 303 E CB 0.012 29.715 29.700 0.004 0.000 0.747 303 E HN 0.792 nan 8.360 nan 0.000 0.491 304 E N -0.444 119.756 120.200 0.001 0.000 2.494 304 E HA -0.021 4.329 4.350 0.000 0.000 0.193 304 E C 1.078 177.678 176.600 -0.001 0.000 1.074 304 E CA 0.242 56.642 56.400 0.000 0.000 0.867 304 E CB 0.217 29.916 29.700 -0.000 0.000 0.924 304 E HN 0.333 nan 8.360 nan 0.000 0.502 305 I N -1.360 119.209 120.570 -0.001 0.000 4.439 305 I HA 0.269 4.439 4.170 0.000 0.000 0.331 305 I C 1.017 177.133 176.117 -0.001 0.000 1.345 305 I CA -0.121 61.178 61.300 -0.001 0.000 1.193 305 I CB 1.260 39.259 38.000 -0.002 0.000 1.221 305 I HN 0.107 nan 8.210 nan 0.000 0.429 306 G N 2.336 111.136 108.800 -0.000 0.000 2.167 306 G HA2 -0.178 3.782 3.960 0.000 0.000 0.194 306 G HA3 -0.178 3.782 3.960 0.000 0.000 0.194 306 G C -0.077 174.823 174.900 -0.001 0.000 1.027 306 G CA -0.383 44.717 45.100 -0.000 0.000 0.717 306 G HN 0.250 nan 8.290 nan 0.000 0.501 307 M N 0.565 120.165 119.600 -0.001 0.000 2.181 307 M HA 0.622 5.102 4.480 0.000 0.000 0.323 307 M C 0.002 176.302 176.300 -0.001 0.000 1.004 307 M CA -0.686 54.613 55.300 -0.001 0.000 0.941 307 M CB 1.542 34.141 32.600 -0.002 0.000 1.579 307 M HN 0.170 nan 8.290 nan 0.000 0.427 308 E N 2.181 122.380 120.200 -0.001 0.000 2.312 308 E HA 0.326 4.676 4.350 0.000 0.000 0.259 308 E C 0.343 176.941 176.600 -0.002 0.000 1.122 308 E CA -0.610 55.790 56.400 -0.000 0.000 0.922 308 E CB 1.385 31.084 29.700 -0.000 0.000 1.109 308 E HN 0.694 nan 8.360 nan 0.000 0.442 309 L N 0.857 122.079 121.223 -0.001 0.000 2.478 309 L HA -0.053 4.287 4.340 0.000 0.000 0.223 309 L C 1.539 178.404 176.870 -0.007 0.000 1.140 309 L CA 0.597 55.435 54.840 -0.003 0.000 0.842 309 L CB -0.294 41.766 42.059 0.001 0.000 0.953 309 L HN 0.505 nan 8.230 nan 0.000 0.452 310 E N 1.019 121.216 120.200 -0.006 0.000 2.204 310 E HA -0.126 4.224 4.350 0.000 0.000 0.194 310 E C 0.374 176.967 176.600 -0.011 0.000 0.989 310 E CA 0.924 57.319 56.400 -0.008 0.000 0.824 310 E CB 0.030 29.727 29.700 -0.005 0.000 0.756 310 E HN 0.348 nan 8.360 nan 0.000 0.477 311 K N 0.541 120.935 120.400 -0.010 0.000 2.457 311 K HA 0.560 4.880 4.320 0.000 0.000 0.226 311 K C -1.041 175.550 176.600 -0.014 0.000 1.114 311 K CA -0.222 56.058 56.287 -0.012 0.000 1.089 311 K CB 1.416 33.911 32.500 -0.008 0.000 1.739 311 K HN -0.044 nan 8.250 nan 0.000 0.473 312 A N 1.228 124.036 122.820 -0.021 0.000 2.497 312 A HA 0.428 4.748 4.320 0.000 0.000 0.280 312 A C -0.166 177.392 177.584 -0.042 0.000 1.065 312 A CA -0.793 51.228 52.037 -0.026 0.000 0.781 312 A CB 0.630 19.616 19.000 -0.022 0.000 1.289 312 A HN 0.403 nan 8.150 nan 0.000 0.415 313 T N 0.132 114.658 114.554 -0.046 0.000 2.884 313 T HA 0.565 4.915 4.350 0.000 0.000 0.277 313 T C 1.427 176.069 174.700 -0.096 0.000 0.976 313 T CA -0.644 61.413 62.100 -0.071 0.000 0.956 313 T CB 0.408 69.242 68.868 -0.056 0.000 1.113 313 T HN 0.362 nan 8.240 nan 0.000 0.554 314 L N 0.039 121.169 121.223 -0.153 0.000 2.051 314 L HA -0.164 4.176 4.340 0.000 0.000 0.214 314 L C 2.952 179.771 176.870 -0.085 0.000 1.076 314 L CA 1.892 56.587 54.840 -0.242 0.000 0.758 314 L CB -0.719 41.133 42.059 -0.345 0.000 0.890 314 L HN 0.864 nan 8.230 nan 0.000 0.433 315 E N -0.174 120.005 120.200 -0.034 0.000 2.339 315 E HA -0.262 4.088 4.350 0.000 0.000 0.201 315 E C 1.317 177.928 176.600 0.019 0.000 1.015 315 E CA 1.182 57.589 56.400 0.012 0.000 0.841 315 E CB 0.106 29.808 29.700 0.003 0.000 0.754 315 E HN 0.512 nan 8.360 nan 0.000 0.508 316 D N -0.511 119.891 120.400 0.003 0.000 2.262 316 D HA -0.027 4.613 4.640 0.000 0.000 0.212 316 D C 0.131 176.450 176.300 0.032 0.000 0.964 316 D CA 0.118 54.124 54.000 0.011 0.000 0.875 316 D CB 0.150 40.947 40.800 -0.004 0.000 0.996 316 D HN 0.092 nan 8.370 nan 0.000 0.497 317 L N 1.525 122.772 121.223 0.040 0.000 2.453 317 L HA 0.228 4.568 4.340 0.000 0.000 0.272 317 L C 1.485 178.444 176.870 0.148 0.000 1.182 317 L CA 0.062 54.958 54.840 0.093 0.000 0.858 317 L CB 0.248 42.370 42.059 0.105 0.000 1.120 317 L HN -0.133 nan 8.230 nan 0.000 0.474 318 G N 2.404 111.275 108.800 0.119 0.000 2.651 318 G HA2 0.378 4.338 3.960 0.000 0.000 0.260 318 G HA3 0.378 4.338 3.960 0.000 0.000 0.260 318 G C -0.686 174.280 174.900 0.109 0.000 1.216 318 G CA -0.258 44.900 45.100 0.096 0.000 0.913 318 G HN 0.608 nan 8.290 nan 0.000 0.535 319 Q N -1.255 118.568 119.800 0.039 0.000 2.281 319 Q HA 0.546 4.886 4.340 0.000 0.000 0.263 319 Q C -1.066 174.901 176.000 -0.054 0.000 0.989 319 Q CA -0.653 55.123 55.803 -0.044 0.000 0.852 319 Q CB 1.904 30.582 28.738 -0.100 0.000 1.337 319 Q HN 0.932 nan 8.270 nan 0.000 0.418 320 A N 2.698 125.475 122.820 -0.073 0.000 2.527 320 A HA 0.490 4.810 4.320 0.000 0.000 0.293 320 A C -0.435 177.103 177.584 -0.075 0.000 1.117 320 A CA -0.602 51.402 52.037 -0.055 0.000 0.723 320 A CB 1.735 20.719 19.000 -0.027 0.000 1.313 320 A HN 0.798 nan 8.150 nan 0.000 0.411 321 K N -0.720 119.644 120.400 -0.060 0.000 2.366 321 K HA 0.109 4.429 4.320 0.000 0.000 0.198 321 K C 0.438 177.005 176.600 -0.056 0.000 1.044 321 K CA 0.917 57.166 56.287 -0.064 0.000 0.973 321 K CB 0.138 32.608 32.500 -0.051 0.000 0.767 321 K HN 0.556 nan 8.250 nan 0.000 0.475 322 R N -0.643 119.829 120.500 -0.048 0.000 2.664 322 R HA 0.231 4.571 4.340 0.000 0.000 0.266 322 R C -1.995 174.280 176.300 -0.041 0.000 1.046 322 R CA -0.653 55.421 56.100 -0.042 0.000 0.885 322 R CB 2.062 32.339 30.300 -0.037 0.000 1.254 322 R HN -0.082 nan 8.270 nan 0.000 0.465 323 V N -0.611 119.279 119.914 -0.040 0.000 2.932 323 V HA 0.779 4.899 4.120 0.000 0.000 0.307 323 V C -1.315 174.752 176.094 -0.045 0.000 1.147 323 V CA -0.813 61.459 62.300 -0.047 0.000 0.951 323 V CB 2.133 33.930 31.823 -0.043 0.000 1.031 323 V HN 0.404 nan 8.190 nan 0.000 0.426 324 V N 5.537 125.415 119.914 -0.060 0.000 2.525 324 V HA 0.604 4.724 4.120 0.000 0.000 0.299 324 V C -0.228 175.832 176.094 -0.058 0.000 1.034 324 V CA -0.364 61.910 62.300 -0.044 0.000 0.863 324 V CB 1.636 33.434 31.823 -0.043 0.000 0.999 324 V HN 0.969 nan 8.190 nan 0.000 0.423 325 I N 1.621 122.185 120.570 -0.011 0.000 2.603 325 I HA 0.739 4.909 4.170 0.000 0.000 0.300 325 I C -0.776 175.397 176.117 0.093 0.000 1.017 325 I CA -0.559 60.744 61.300 0.005 0.000 1.098 325 I CB 2.352 40.367 38.000 0.025 0.000 1.279 325 I HN 0.399 nan 8.210 nan 0.000 0.437 326 N N 3.270 121.973 118.700 0.005 0.000 2.741 326 N HA 0.307 5.047 4.740 0.000 0.000 0.310 326 N C 0.664 175.943 175.510 -0.386 0.000 1.295 326 N CA -0.794 52.243 53.050 -0.023 0.000 0.893 326 N CB 1.230 39.673 38.487 -0.073 0.000 1.247 326 N HN 0.658 nan 8.380 nan 0.000 0.596 327 K N -0.058 120.085 120.400 -0.428 0.000 2.097 327 K HA -0.243 4.077 4.320 0.000 0.000 0.214 327 K C -0.424 175.875 176.600 -0.501 0.000 1.052 327 K CA 2.610 58.507 56.287 -0.650 0.000 0.932 327 K CB -0.015 32.362 32.500 -0.204 0.000 0.716 327 K HN 0.709 nan 8.250 nan 0.000 0.455 328 D N -2.175 118.063 120.400 -0.269 0.000 2.615 328 D HA 0.091 4.731 4.640 0.000 0.000 0.274 328 D C -0.941 175.293 176.300 -0.110 0.000 1.512 328 D CA -0.433 53.468 54.000 -0.164 0.000 0.803 328 D CB 0.755 41.496 40.800 -0.099 0.000 1.182 328 D HN -0.072 nan 8.370 nan 0.000 0.473 329 T N -0.314 114.160 114.554 -0.133 0.000 2.893 329 T HA 0.653 5.003 4.350 0.000 0.000 0.293 329 T C -0.653 173.912 174.700 -0.224 0.000 1.027 329 T CA -0.573 61.438 62.100 -0.148 0.000 0.988 329 T CB 2.163 70.962 68.868 -0.116 0.000 1.043 329 T HN -0.140 nan 8.240 nan 0.000 0.461 330 T N 2.324 116.625 114.554 -0.422 0.000 2.792 330 T HA 0.655 5.005 4.350 0.000 0.000 0.280 330 T C -0.241 174.099 174.700 -0.599 0.000 0.990 330 T CA -0.580 61.174 62.100 -0.578 0.000 0.960 330 T CB 1.383 69.681 68.868 -0.950 0.000 0.939 330 T HN 0.733 nan 8.240 nan 0.000 0.439 331 T N 3.303 117.658 114.554 -0.332 0.000 2.840 331 T HA 0.650 5.000 4.350 0.000 0.000 0.287 331 T C -0.682 173.934 174.700 -0.140 0.000 0.991 331 T CA -0.710 61.256 62.100 -0.223 0.000 0.964 331 T CB 0.153 68.933 68.868 -0.145 0.000 0.954 331 T HN 0.466 nan 8.240 nan 0.000 0.438 332 I N 5.854 126.368 120.570 -0.092 0.000 2.312 332 I HA 0.439 4.609 4.170 0.000 0.000 0.290 332 I C -0.288 175.814 176.117 -0.025 0.000 1.008 332 I CA -0.779 60.500 61.300 -0.035 0.000 1.226 332 I CB 1.237 39.251 38.000 0.023 0.000 1.371 332 I HN 0.591 nan 8.210 nan 0.000 0.468 333 I N 6.151 126.702 120.570 -0.030 0.000 2.355 333 I HA 0.268 4.438 4.170 0.000 0.000 0.288 333 I C -0.520 175.582 176.117 -0.026 0.000 0.999 333 I CA -0.440 60.843 61.300 -0.029 0.000 1.163 333 I CB 1.151 39.130 38.000 -0.035 0.000 1.316 333 I HN 0.562 nan 8.210 nan 0.000 0.454 334 D N 5.139 125.527 120.400 -0.020 0.000 4.044 334 D HA -0.115 4.525 4.640 0.000 0.000 0.242 334 D C -0.145 176.143 176.300 -0.021 0.000 1.076 334 D CA 0.820 54.807 54.000 -0.020 0.000 1.171 334 D CB -0.192 40.593 40.800 -0.025 0.000 0.866 334 D HN 0.811 nan 8.370 nan 0.000 0.413 335 G N 1.475 110.268 108.800 -0.012 0.000 2.332 335 G HA2 0.477 4.437 3.960 0.000 0.000 0.310 335 G HA3 0.477 4.437 3.960 0.000 0.000 0.310 335 G C 1.361 176.255 174.900 -0.011 0.000 1.123 335 G CA -0.357 44.737 45.100 -0.009 0.000 0.873 335 G HN 0.361 nan 8.290 nan 0.000 0.460 336 V N 2.668 122.573 119.914 -0.016 0.000 2.970 336 V HA 0.014 4.134 4.120 0.000 0.000 0.260 336 V C 2.120 178.212 176.094 -0.004 0.000 1.100 336 V CA 0.802 63.094 62.300 -0.015 0.000 1.122 336 V CB -1.215 30.594 31.823 -0.024 0.000 0.721 336 V HN 0.775 nan 8.190 nan 0.000 0.483 337 G N 1.342 110.143 108.800 0.002 0.000 2.178 337 G HA2 0.045 4.005 3.960 0.000 0.000 0.244 337 G HA3 0.045 4.005 3.960 0.000 0.000 0.244 337 G C 0.033 174.935 174.900 0.003 0.000 1.213 337 G CA -0.108 44.995 45.100 0.006 0.000 0.912 337 G HN 0.541 nan 8.290 nan 0.000 0.474 338 E N 1.683 121.885 120.200 0.003 0.000 2.392 338 E HA 0.053 4.403 4.350 0.000 0.000 0.259 338 E C 0.819 177.419 176.600 0.000 0.000 1.108 338 E CA -0.412 55.988 56.400 0.001 0.000 0.916 338 E CB 1.161 30.862 29.700 0.002 0.000 0.989 338 E HN 0.603 nan 8.360 nan 0.000 0.432 339 E N 0.923 121.122 120.200 -0.001 0.000 2.208 339 E HA -0.163 4.187 4.350 0.000 0.000 0.193 339 E C 1.876 178.475 176.600 -0.002 0.000 0.988 339 E CA 0.757 57.156 56.400 -0.002 0.000 0.828 339 E CB -0.072 29.626 29.700 -0.003 0.000 0.763 339 E HN 0.577 nan 8.360 nan 0.000 0.478 340 A N 2.037 124.856 122.820 -0.001 0.000 1.903 340 A HA -0.232 4.088 4.320 0.000 0.000 0.219 340 A C 2.443 180.026 177.584 -0.001 0.000 1.191 340 A CA 2.346 54.383 52.037 -0.001 0.000 0.638 340 A CB -0.627 18.373 19.000 -0.000 0.000 0.823 340 A HN 0.309 nan 8.150 nan 0.000 0.451 341 A N -0.599 122.221 122.820 -0.000 0.000 1.855 341 A HA 0.063 4.383 4.320 0.000 0.000 0.213 341 A C 2.143 179.726 177.584 -0.002 0.000 1.195 341 A CA 1.308 53.344 52.037 -0.001 0.000 0.610 341 A CB -0.577 18.423 19.000 0.001 0.000 0.837 341 A HN 0.462 nan 8.150 nan 0.000 0.444 342 I N -0.673 119.896 120.570 -0.001 0.000 2.208 342 I HA -0.272 3.898 4.170 0.000 0.000 0.245 342 I C 2.771 178.886 176.117 -0.003 0.000 1.097 342 I CA 1.374 62.673 61.300 -0.001 0.000 1.363 342 I CB -0.185 37.815 38.000 -0.000 0.000 1.051 342 I HN 0.272 nan 8.210 nan 0.000 0.413 343 Q N 0.789 120.587 119.800 -0.003 0.000 2.079 343 Q HA -0.085 4.255 4.340 0.000 0.000 0.200 343 Q C 2.257 178.254 176.000 -0.005 0.000 0.974 343 Q CA 1.811 57.612 55.803 -0.004 0.000 0.840 343 Q CB -0.985 27.750 28.738 -0.004 0.000 0.898 343 Q HN 0.513 nan 8.270 nan 0.000 0.430 344 G N 0.080 108.877 108.800 -0.004 0.000 2.442 344 G HA2 -0.336 3.624 3.960 0.000 0.000 0.219 344 G HA3 -0.336 3.624 3.960 0.000 0.000 0.219 344 G C 1.633 176.530 174.900 -0.006 0.000 1.141 344 G CA 1.109 46.206 45.100 -0.005 0.000 0.763 344 G HN 0.308 nan 8.290 nan 0.000 0.554 345 R N 0.028 120.524 120.500 -0.007 0.000 2.092 345 R HA 0.015 4.355 4.340 0.000 0.000 0.231 345 R C 2.613 178.907 176.300 -0.011 0.000 1.119 345 R CA 1.305 57.399 56.100 -0.009 0.000 0.970 345 R CB -0.650 29.644 30.300 -0.009 0.000 0.864 345 R HN 0.227 nan 8.270 nan 0.000 0.440 346 V N 0.665 120.573 119.914 -0.009 0.000 2.407 346 V HA -0.187 3.933 4.120 0.000 0.000 0.248 346 V C 2.325 178.413 176.094 -0.011 0.000 1.055 346 V CA 1.873 64.167 62.300 -0.010 0.000 1.049 346 V CB -0.887 30.931 31.823 -0.008 0.000 0.662 346 V HN 0.524 nan 8.190 nan 0.000 0.455 347 A N -0.913 121.901 122.820 -0.009 0.000 1.969 347 A HA -0.241 4.079 4.320 0.000 0.000 0.218 347 A C 2.203 179.782 177.584 -0.010 0.000 1.169 347 A CA 1.690 53.722 52.037 -0.009 0.000 0.635 347 A CB -0.379 18.617 19.000 -0.007 0.000 0.810 347 A HN 0.617 nan 8.150 nan 0.000 0.445 348 Q N -0.395 119.399 119.800 -0.010 0.000 1.993 348 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 348 Q C 2.081 178.072 176.000 -0.014 0.000 0.984 348 Q CA 1.670 57.466 55.803 -0.012 0.000 0.837 348 Q CB -0.326 28.405 28.738 -0.012 0.000 0.902 348 Q HN 0.718 nan 8.270 nan 0.000 0.423 349 I N 0.283 120.843 120.570 -0.017 0.000 2.264 349 I HA -0.295 3.875 4.170 0.000 0.000 0.248 349 I C 2.484 178.590 176.117 -0.020 0.000 1.111 349 I CA 0.941 62.228 61.300 -0.021 0.000 1.382 349 I CB -0.278 37.708 38.000 -0.023 0.000 1.060 349 I HN 0.161 nan 8.210 nan 0.000 0.418 350 R N 0.958 121.448 120.500 -0.016 0.000 2.115 350 R HA -0.255 4.085 4.340 0.000 0.000 0.239 350 R C 2.369 178.660 176.300 -0.014 0.000 1.133 350 R CA 2.023 58.114 56.100 -0.015 0.000 0.935 350 R CB -0.389 29.904 30.300 -0.012 0.000 0.853 350 R HN 0.383 nan 8.270 nan 0.000 0.433 351 Q N -0.377 119.415 119.800 -0.012 0.000 2.135 351 Q HA -0.219 4.121 4.340 0.000 0.000 0.204 351 Q C 2.114 178.107 176.000 -0.012 0.000 0.981 351 Q CA 1.635 57.431 55.803 -0.011 0.000 0.856 351 Q CB -0.014 28.718 28.738 -0.010 0.000 0.902 351 Q HN 0.534 nan 8.270 nan 0.000 0.425 352 Q N 0.082 119.873 119.800 -0.015 0.000 2.234 352 Q HA -0.166 4.174 4.340 0.000 0.000 0.206 352 Q C 2.000 177.989 176.000 -0.017 0.000 0.980 352 Q CA 1.007 56.800 55.803 -0.017 0.000 0.869 352 Q CB -0.233 28.492 28.738 -0.021 0.000 0.912 352 Q HN 0.507 nan 8.270 nan 0.000 0.436 353 I N 1.131 121.690 120.570 -0.018 0.000 2.493 353 I HA -0.213 3.957 4.170 0.000 0.000 0.254 353 I C 1.972 178.081 176.117 -0.013 0.000 1.160 353 I CA 0.735 62.024 61.300 -0.018 0.000 1.445 353 I CB -0.251 37.737 38.000 -0.020 0.000 1.086 353 I HN 0.058 nan 8.210 nan 0.000 0.433 354 E N 1.550 121.744 120.200 -0.010 0.000 2.072 354 E HA -0.164 4.186 4.350 0.000 0.000 0.190 354 E C 1.175 177.771 176.600 -0.006 0.000 0.982 354 E CA 1.038 57.433 56.400 -0.007 0.000 0.803 354 E CB -0.513 29.183 29.700 -0.007 0.000 0.755 354 E HN 0.604 nan 8.360 nan 0.000 0.453 355 E N 1.126 121.322 120.200 -0.006 0.000 2.303 355 E HA 0.347 4.697 4.350 0.000 0.000 0.211 355 E C -0.346 176.251 176.600 -0.004 0.000 1.223 355 E CA -0.166 56.231 56.400 -0.005 0.000 1.344 355 E CB 0.268 29.964 29.700 -0.005 0.000 1.299 355 E HN 0.089 nan 8.360 nan 0.000 0.441 356 A N 0.937 123.755 122.820 -0.004 0.000 2.290 356 A HA 0.337 4.657 4.320 0.000 0.000 0.310 356 A C 1.006 178.593 177.584 0.004 0.000 1.202 356 A CA -0.623 51.413 52.037 -0.001 0.000 0.837 356 A CB 0.488 19.485 19.000 -0.006 0.000 1.139 356 A HN 0.254 nan 8.150 nan 0.000 0.509 357 T N -1.110 113.450 114.554 0.009 0.000 2.985 357 T HA 0.297 4.647 4.350 0.000 0.000 0.254 357 T C 0.744 175.455 174.700 0.018 0.000 1.021 357 T CA 0.580 62.687 62.100 0.011 0.000 0.957 357 T CB -0.063 68.811 68.868 0.010 0.000 1.047 357 T HN 0.734 nan 8.240 nan 0.000 0.511 358 S N -0.315 115.401 115.700 0.027 0.000 2.600 358 S HA 0.405 4.875 4.470 0.000 0.000 0.300 358 S C 0.012 174.640 174.600 0.046 0.000 1.087 358 S CA -0.639 57.586 58.200 0.043 0.000 0.965 358 S CB 1.731 64.968 63.200 0.062 0.000 1.089 358 S HN 0.080 nan 8.310 nan 0.000 0.496 359 D N 0.863 121.300 120.400 0.061 0.000 2.137 359 D HA -0.048 4.593 4.640 0.000 0.000 0.202 359 D C 1.258 177.600 176.300 0.070 0.000 0.970 359 D CA 1.078 55.110 54.000 0.054 0.000 0.837 359 D CB -0.157 40.675 40.800 0.053 0.000 0.981 359 D HN 0.710 nan 8.370 nan 0.000 0.475 360 Y N 2.089 122.387 120.300 -0.003 0.000 2.274 360 Y HA -0.155 4.395 4.550 0.000 0.000 0.290 360 Y C 1.734 177.625 175.900 -0.014 0.000 1.145 360 Y CA 1.404 59.501 58.100 -0.005 0.000 1.203 360 Y CB 0.086 38.545 38.460 -0.002 0.000 0.984 360 Y HN -0.127 nan 8.280 nan 0.000 0.533 361 D N -0.498 119.944 120.400 0.069 0.000 2.312 361 D HA -0.104 4.536 4.640 0.000 0.000 0.211 361 D C 1.961 178.223 176.300 -0.065 0.000 0.964 361 D CA 0.633 54.630 54.000 -0.006 0.000 0.877 361 D CB 0.028 40.849 40.800 0.036 0.000 0.924 361 D HN 0.425 nan 8.370 nan 0.000 0.515 362 R N 0.865 121.331 120.500 -0.057 0.000 2.054 362 R HA -0.070 4.270 4.340 0.000 0.000 0.223 362 R C 2.320 178.562 176.300 -0.096 0.000 1.176 362 R CA 0.838 56.903 56.100 -0.059 0.000 0.934 362 R CB 0.089 30.371 30.300 -0.029 0.000 0.828 362 R HN 0.078 nan 8.270 nan 0.000 0.441 363 E N 1.020 121.152 120.200 -0.114 0.000 2.147 363 E HA -0.264 4.086 4.350 0.000 0.000 0.199 363 E C 1.657 178.154 176.600 -0.172 0.000 1.005 363 E CA 1.104 57.427 56.400 -0.128 0.000 0.810 363 E CB -0.227 29.397 29.700 -0.127 0.000 0.736 363 E HN 0.165 nan 8.360 nan 0.000 0.460 364 K N 0.720 120.957 120.400 -0.273 0.000 2.209 364 K HA -0.008 4.312 4.320 0.000 0.000 0.204 364 K C 2.287 178.793 176.600 -0.157 0.000 1.048 364 K CA 0.664 56.788 56.287 -0.271 0.000 0.940 364 K CB -0.238 32.028 32.500 -0.390 0.000 0.729 364 K HN 0.290 nan 8.250 nan 0.000 0.451 365 L N -0.041 121.109 121.223 -0.122 0.000 2.249 365 L HA -0.049 4.291 4.340 0.000 0.000 0.207 365 L C 2.132 178.965 176.870 -0.063 0.000 1.090 365 L CA 0.652 55.444 54.840 -0.080 0.000 0.802 365 L CB -0.158 41.863 42.059 -0.063 0.000 0.947 365 L HN 0.109 nan 8.230 nan 0.000 0.453 366 Q N -0.095 119.667 119.800 -0.064 0.000 2.331 366 Q HA -0.122 4.218 4.340 0.000 0.000 0.203 366 Q C 1.806 177.780 176.000 -0.043 0.000 0.944 366 Q CA 0.745 56.520 55.803 -0.046 0.000 0.892 366 Q CB 0.233 28.946 28.738 -0.041 0.000 0.983 366 Q HN 0.431 nan 8.270 nan 0.000 0.482 367 E N 0.056 120.222 120.200 -0.056 0.000 2.208 367 E HA -0.099 4.251 4.350 0.000 0.000 0.193 367 E C 1.801 178.382 176.600 -0.033 0.000 0.988 367 E CA 0.453 56.827 56.400 -0.042 0.000 0.828 367 E CB 0.202 29.870 29.700 -0.053 0.000 0.763 367 E HN 0.175 nan 8.360 nan 0.000 0.478 368 R N 0.279 120.753 120.500 -0.043 0.000 2.066 368 R HA -0.069 4.271 4.340 0.000 0.000 0.224 368 R C 2.646 178.931 176.300 -0.025 0.000 1.122 368 R CA 1.205 57.284 56.100 -0.035 0.000 0.974 368 R CB -0.294 29.977 30.300 -0.048 0.000 0.871 368 R HN 0.187 nan 8.270 nan 0.000 0.435 369 V N -0.885 119.013 119.914 -0.027 0.000 2.392 369 V HA -0.195 3.925 4.120 0.000 0.000 0.249 369 V C 2.176 178.262 176.094 -0.013 0.000 1.059 369 V CA 1.924 64.213 62.300 -0.019 0.000 1.051 369 V CB -0.976 30.835 31.823 -0.020 0.000 0.658 369 V HN 0.259 nan 8.190 nan 0.000 0.455 370 A N 0.773 123.585 122.820 -0.014 0.000 1.828 370 A HA -0.186 4.134 4.320 0.000 0.000 0.215 370 A C 2.297 179.881 177.584 -0.000 0.000 1.203 370 A CA 2.242 54.274 52.037 -0.008 0.000 0.614 370 A CB -0.872 18.123 19.000 -0.009 0.000 0.844 370 A HN 0.552 nan 8.150 nan 0.000 0.445 371 K N -1.174 119.229 120.400 0.005 0.000 2.107 371 K HA -0.209 4.111 4.320 0.000 0.000 0.211 371 K C 1.857 178.467 176.600 0.017 0.000 1.049 371 K CA 1.743 58.041 56.287 0.019 0.000 0.927 371 K CB -0.331 32.190 32.500 0.035 0.000 0.714 371 K HN 0.374 nan 8.250 nan 0.000 0.452 372 L N -0.210 121.018 121.223 0.009 0.000 2.071 372 L HA 0.029 4.369 4.340 0.000 0.000 0.201 372 L C 2.026 178.898 176.870 0.003 0.000 1.076 372 L CA 1.845 56.689 54.840 0.007 0.000 0.755 372 L CB -0.671 41.388 42.059 0.000 0.000 0.915 372 L HN 0.108 nan 8.230 nan 0.000 0.445 373 A N -1.149 121.670 122.820 -0.001 0.000 2.072 373 A HA 0.139 4.459 4.320 0.000 0.000 0.216 373 A C 2.181 179.764 177.584 -0.002 0.000 1.156 373 A CA 0.941 52.976 52.037 -0.003 0.000 0.701 373 A CB -1.138 17.859 19.000 -0.005 0.000 0.816 373 A HN 0.496 nan 8.150 nan 0.000 0.458 374 G N -0.532 108.267 108.800 -0.002 0.000 2.403 374 G HA2 0.356 4.316 3.960 0.000 0.000 0.216 374 G HA3 0.356 4.316 3.960 0.000 0.000 0.216 374 G C 1.130 176.029 174.900 -0.002 0.000 1.154 374 G CA 0.704 45.803 45.100 -0.002 0.000 0.784 374 G HN 1.669 nan 8.290 nan 0.000 0.538 375 G N -1.805 106.995 108.800 0.000 0.000 2.828 375 G HA2 0.040 4.000 3.960 0.000 0.000 0.463 375 G HA3 0.040 4.000 3.960 0.000 0.000 0.463 375 G C -0.719 174.178 174.900 -0.005 0.000 1.394 375 G CA -0.344 44.755 45.100 -0.002 0.000 0.862 375 G HN 1.013 nan 8.290 nan 0.000 0.540 376 V N 0.273 120.181 119.914 -0.009 0.000 2.531 376 V HA 0.745 4.865 4.120 0.000 0.000 0.301 376 V C 0.660 176.743 176.094 -0.018 0.000 1.034 376 V CA -0.081 62.210 62.300 -0.015 0.000 0.865 376 V CB 1.518 33.330 31.823 -0.019 0.000 0.995 376 V HN 2.093 nan 8.190 nan 0.000 0.424 377 A N 4.545 127.352 122.820 -0.020 0.000 2.252 377 A HA 0.727 5.047 4.320 0.000 0.000 0.309 377 A C -0.204 177.365 177.584 -0.025 0.000 1.285 377 A CA -0.445 51.580 52.037 -0.020 0.000 0.900 377 A CB 0.915 19.903 19.000 -0.019 0.000 1.157 377 A HN 1.397 nan 8.150 nan 0.000 0.536 378 V N 2.415 122.315 119.914 -0.023 0.000 2.439 378 V HA 0.685 4.805 4.120 0.000 0.000 0.282 378 V C -0.237 175.843 176.094 -0.023 0.000 1.039 378 V CA -0.601 61.684 62.300 -0.025 0.000 0.913 378 V CB 0.824 32.632 31.823 -0.025 0.000 0.983 378 V HN 0.620 nan 8.190 nan 0.000 0.460 379 I N 5.359 125.914 120.570 -0.025 0.000 2.336 379 I HA 0.460 4.630 4.170 0.000 0.000 0.292 379 I C 0.226 176.330 176.117 -0.021 0.000 0.991 379 I CA -0.537 60.750 61.300 -0.022 0.000 1.227 379 I CB 1.551 39.536 38.000 -0.024 0.000 1.366 379 I HN 0.660 nan 8.210 nan 0.000 0.466 380 K N 5.955 126.344 120.400 -0.018 0.000 2.240 380 K HA 0.470 4.790 4.320 0.000 0.000 0.271 380 K C -0.954 175.637 176.600 -0.014 0.000 1.018 380 K CA -0.676 55.601 56.287 -0.016 0.000 0.874 380 K CB 2.271 34.762 32.500 -0.015 0.000 1.098 380 K HN 0.293 nan 8.250 nan 0.000 0.458 381 V N 2.817 122.723 119.914 -0.014 0.000 2.385 381 V HA 0.241 4.361 4.120 0.000 0.000 0.269 381 V C 0.688 176.776 176.094 -0.010 0.000 1.043 381 V CA -0.542 61.751 62.300 -0.012 0.000 0.906 381 V CB 1.099 32.915 31.823 -0.011 0.000 0.995 381 V HN 0.913 nan 8.190 nan 0.000 0.467 382 G N 3.376 112.171 108.800 -0.009 0.000 2.412 382 G HA2 0.803 4.763 3.960 0.000 0.000 0.318 382 G HA3 0.803 4.763 3.960 0.000 0.000 0.318 382 G C -0.423 174.472 174.900 -0.007 0.000 1.146 382 G CA 0.221 45.316 45.100 -0.008 0.000 0.882 382 G HN 1.197 nan 8.290 nan 0.000 0.501 383 A N -0.345 122.471 122.820 -0.006 0.000 2.511 383 A HA 0.798 5.118 4.320 0.000 0.000 0.293 383 A C 0.756 178.337 177.584 -0.005 0.000 1.098 383 A CA 0.416 52.450 52.037 -0.005 0.000 0.643 383 A CB 0.368 19.365 19.000 -0.005 0.000 1.302 383 A HN 1.761 nan 8.150 nan 0.000 0.446 384 A N -0.507 122.310 122.820 -0.005 0.000 1.855 384 A HA 0.440 4.760 4.320 0.000 0.000 0.213 384 A C 1.393 178.975 177.584 -0.004 0.000 1.195 384 A CA 2.351 54.386 52.037 -0.004 0.000 0.610 384 A CB -0.666 18.331 19.000 -0.004 0.000 0.837 384 A HN 1.904 nan 8.150 nan 0.000 0.444 385 T N -2.447 112.105 114.554 -0.004 0.000 2.932 385 T HA 0.378 4.728 4.350 0.000 0.000 0.289 385 T C 0.765 175.463 174.700 -0.004 0.000 1.039 385 T CA 0.077 62.175 62.100 -0.004 0.000 1.024 385 T CB 1.650 70.516 68.868 -0.003 0.000 1.090 385 T HN 0.386 nan 8.240 nan 0.000 0.496 386 E N 1.013 121.211 120.200 -0.004 0.000 2.070 386 E HA -0.149 4.201 4.350 0.000 0.000 0.197 386 E C 1.958 178.556 176.600 -0.003 0.000 1.004 386 E CA 2.004 58.401 56.400 -0.004 0.000 0.805 386 E CB -0.200 29.498 29.700 -0.003 0.000 0.744 386 E HN 0.570 nan 8.360 nan 0.000 0.451 387 V N 0.816 120.728 119.914 -0.003 0.000 2.233 387 V HA -0.285 3.835 4.120 0.000 0.000 0.247 387 V C 2.304 178.397 176.094 -0.002 0.000 1.050 387 V CA 2.291 64.590 62.300 -0.002 0.000 1.010 387 V CB -0.789 31.033 31.823 -0.002 0.000 0.637 387 V HN 0.319 nan 8.190 nan 0.000 0.444 388 E N -0.560 119.638 120.200 -0.003 0.000 2.065 388 E HA -0.307 4.043 4.350 0.000 0.000 0.201 388 E C 2.247 178.845 176.600 -0.003 0.000 1.016 388 E CA 2.149 58.547 56.400 -0.003 0.000 0.818 388 E CB -0.198 29.500 29.700 -0.004 0.000 0.749 388 E HN 0.474 nan 8.360 nan 0.000 0.453 389 M N 0.459 120.057 119.600 -0.004 0.000 2.065 389 M HA -0.203 4.277 4.480 0.000 0.000 0.259 389 M C 1.904 178.202 176.300 -0.004 0.000 1.071 389 M CA 1.680 56.977 55.300 -0.005 0.000 1.109 389 M CB -0.181 32.416 32.600 -0.005 0.000 1.313 389 M HN -0.099 nan 8.290 nan 0.000 0.408 390 K N -0.351 120.047 120.400 -0.003 0.000 2.555 390 K HA -0.111 4.209 4.320 0.000 0.000 0.193 390 K C 1.785 178.385 176.600 -0.001 0.000 1.032 390 K CA 0.365 56.650 56.287 -0.002 0.000 1.004 390 K CB 0.102 32.601 32.500 -0.002 0.000 0.804 390 K HN 0.327 nan 8.250 nan 0.000 0.496 391 E N 1.313 121.513 120.200 -0.001 0.000 2.057 391 E HA -0.116 4.234 4.350 0.000 0.000 0.190 391 E C 1.706 178.306 176.600 -0.000 0.000 0.969 391 E CA 0.957 57.356 56.400 -0.000 0.000 0.812 391 E CB 0.222 29.922 29.700 -0.001 0.000 0.777 391 E HN 0.092 nan 8.360 nan 0.000 0.455 392 K N 1.133 121.532 120.400 -0.002 0.000 2.044 392 K HA -0.200 4.120 4.320 0.000 0.000 0.210 392 K C 2.313 178.911 176.600 -0.003 0.000 1.049 392 K CA 1.699 57.984 56.287 -0.003 0.000 0.927 392 K CB -0.122 32.375 32.500 -0.004 0.000 0.713 392 K HN -0.087 nan 8.250 nan 0.000 0.443 393 K N 0.016 120.413 120.400 -0.005 0.000 2.113 393 K HA -0.204 4.116 4.320 0.000 0.000 0.208 393 K C 1.922 178.520 176.600 -0.004 0.000 1.047 393 K CA 1.480 57.763 56.287 -0.006 0.000 0.928 393 K CB -0.174 32.322 32.500 -0.007 0.000 0.716 393 K HN 0.268 nan 8.250 nan 0.000 0.446 394 A N 1.105 123.926 122.820 0.001 0.000 1.898 394 A HA -0.140 4.180 4.320 0.000 0.000 0.216 394 A C 2.096 179.687 177.584 0.012 0.000 1.181 394 A CA 1.355 53.397 52.037 0.008 0.000 0.620 394 A CB -0.372 18.633 19.000 0.009 0.000 0.819 394 A HN 0.314 nan 8.150 nan 0.000 0.442 395 R N -0.713 119.792 120.500 0.008 0.000 2.115 395 R HA -0.025 4.315 4.340 0.000 0.000 0.226 395 R C 1.984 178.289 176.300 0.008 0.000 1.100 395 R CA 1.150 57.255 56.100 0.010 0.000 0.980 395 R CB -0.366 29.937 30.300 0.005 0.000 0.875 395 R HN 0.401 nan 8.270 nan 0.000 0.445 396 V N 1.117 121.031 119.914 0.000 0.000 2.295 396 V HA -0.258 3.862 4.120 0.000 0.000 0.246 396 V C 1.876 177.962 176.094 -0.014 0.000 1.049 396 V CA 1.920 64.216 62.300 -0.007 0.000 1.024 396 V CB -0.430 31.385 31.823 -0.013 0.000 0.648 396 V HN 0.342 nan 8.190 nan 0.000 0.447 397 E N -0.216 119.975 120.200 -0.016 0.000 2.160 397 E HA -0.229 4.121 4.350 0.000 0.000 0.195 397 E C 1.979 178.591 176.600 0.019 0.000 0.991 397 E CA 1.309 57.688 56.400 -0.033 0.000 0.810 397 E CB -0.162 29.523 29.700 -0.026 0.000 0.742 397 E HN 0.604 nan 8.360 nan 0.000 0.466 398 D N 0.255 120.689 120.400 0.056 0.000 2.084 398 D HA -0.145 4.495 4.640 0.000 0.000 0.194 398 D C 1.947 178.299 176.300 0.087 0.000 0.990 398 D CA 1.396 55.452 54.000 0.093 0.000 0.826 398 D CB -0.251 40.580 40.800 0.053 0.000 0.971 398 D HN 0.161 nan 8.370 nan 0.000 0.453 399 A N 1.081 123.926 122.820 0.043 0.000 1.851 399 A HA -0.171 4.149 4.320 0.000 0.000 0.216 399 A C 2.355 179.960 177.584 0.034 0.000 1.195 399 A CA 1.311 53.367 52.037 0.033 0.000 0.622 399 A CB -1.109 17.899 19.000 0.014 0.000 0.831 399 A HN 0.257 nan 8.150 nan 0.000 0.444 400 L N -1.089 120.135 121.223 0.002 0.000 2.054 400 L HA -0.337 4.003 4.340 0.000 0.000 0.220 400 L C 2.623 179.491 176.870 -0.003 0.000 1.081 400 L CA 2.505 57.327 54.840 -0.031 0.000 0.780 400 L CB -0.473 41.533 42.059 -0.090 0.000 0.893 400 L HN 0.546 nan 8.230 nan 0.000 0.438 401 H N -0.789 118.278 119.070 -0.004 0.000 2.290 401 H HA -0.090 4.466 4.556 0.000 0.000 0.298 401 H C 2.127 177.455 175.328 -0.000 0.000 1.087 401 H CA 1.611 57.658 56.048 -0.003 0.000 1.291 401 H CB -0.378 29.381 29.762 -0.004 0.000 1.369 401 H HN 0.540 nan 8.280 nan 0.000 0.492 402 A N -0.152 122.750 122.820 0.138 0.000 2.066 402 A HA -0.096 4.224 4.320 0.000 0.000 0.218 402 A C 2.510 180.126 177.584 0.053 0.000 1.157 402 A CA 1.684 53.764 52.037 0.072 0.000 0.670 402 A CB -0.475 18.553 19.000 0.047 0.000 0.804 402 A HN 0.441 nan 8.150 nan 0.000 0.453 403 T N -0.768 113.815 114.554 0.048 0.000 2.851 403 T HA -0.056 4.294 4.350 0.000 0.000 0.262 403 T C 2.057 176.776 174.700 0.031 0.000 1.043 403 T CA 1.154 63.272 62.100 0.030 0.000 1.140 403 T CB -0.168 68.711 68.868 0.017 0.000 0.872 403 T HN 0.461 nan 8.240 nan 0.000 0.446 404 R N 0.751 121.274 120.500 0.039 0.000 2.120 404 R HA 0.027 4.367 4.340 0.000 0.000 0.234 404 R C 2.650 178.977 176.300 0.045 0.000 1.123 404 R CA 1.202 57.324 56.100 0.037 0.000 0.975 404 R CB -0.313 30.013 30.300 0.043 0.000 0.866 404 R HN 0.384 nan 8.270 nan 0.000 0.446 405 A N 0.509 123.363 122.820 0.056 0.000 1.898 405 A HA -0.003 4.317 4.320 0.000 0.000 0.214 405 A C 2.269 179.873 177.584 0.033 0.000 1.183 405 A CA 1.308 53.373 52.037 0.046 0.000 0.622 405 A CB -0.496 18.532 19.000 0.046 0.000 0.824 405 A HN 0.381 nan 8.150 nan 0.000 0.444 406 A N -0.383 122.455 122.820 0.030 0.000 1.933 406 A HA 0.020 4.340 4.320 0.000 0.000 0.218 406 A C 2.213 179.810 177.584 0.021 0.000 1.175 406 A CA 1.722 53.773 52.037 0.024 0.000 0.628 406 A CB -0.924 18.089 19.000 0.021 0.000 0.814 406 A HN 0.339 nan 8.150 nan 0.000 0.444 407 V N 0.198 120.124 119.914 0.021 0.000 2.233 407 V HA -0.330 3.790 4.120 0.000 0.000 0.247 407 V C 2.445 178.550 176.094 0.018 0.000 1.050 407 V CA 2.489 64.799 62.300 0.017 0.000 1.010 407 V CB -0.981 30.851 31.823 0.016 0.000 0.637 407 V HN 0.670 nan 8.190 nan 0.000 0.444 408 E N -0.165 120.047 120.200 0.021 0.000 2.070 408 E HA -0.233 4.117 4.350 0.000 0.000 0.197 408 E C 1.707 178.318 176.600 0.019 0.000 1.004 408 E CA 1.756 58.168 56.400 0.021 0.000 0.805 408 E CB -0.073 29.642 29.700 0.025 0.000 0.744 408 E HN 0.731 nan 8.360 nan 0.000 0.451 409 E N -1.003 119.209 120.200 0.020 0.000 2.676 409 E HA 0.268 4.618 4.350 0.000 0.000 0.225 409 E C 0.369 176.979 176.600 0.018 0.000 0.944 409 E CA 0.161 56.572 56.400 0.018 0.000 1.156 409 E CB 1.702 31.414 29.700 0.019 0.000 1.117 409 E HN 0.209 nan 8.360 nan 0.000 0.523 410 G N 1.473 110.284 108.800 0.018 0.000 2.685 410 G HA2 -0.162 3.798 3.960 0.000 0.000 0.387 410 G HA3 -0.162 3.798 3.960 0.000 0.000 0.387 410 G C -0.342 174.568 174.900 0.018 0.000 1.324 410 G CA -0.514 44.596 45.100 0.017 0.000 0.878 410 G HN 0.470 nan 8.290 nan 0.000 0.527 411 V N -2.317 117.607 119.914 0.018 0.000 3.019 411 V HA 1.011 5.131 4.120 0.000 0.000 0.317 411 V C 0.708 176.814 176.094 0.020 0.000 1.094 411 V CA 0.273 62.584 62.300 0.018 0.000 1.000 411 V CB 1.297 33.130 31.823 0.016 0.000 1.060 411 V HN 2.589 nan 8.190 nan 0.000 0.443 412 V N -1.382 118.545 119.914 0.020 0.000 3.226 412 V HA 0.966 5.086 4.120 0.000 0.000 0.304 412 V C 0.251 176.360 176.094 0.024 0.000 1.336 412 V CA -0.778 61.537 62.300 0.024 0.000 1.066 412 V CB 1.151 32.989 31.823 0.025 0.000 1.087 412 V HN 2.322 nan 8.190 nan 0.000 0.451 413 A N 0.602 123.440 122.820 0.031 0.000 2.561 413 A HA 0.471 4.791 4.320 0.000 0.000 0.251 413 A C 1.423 179.021 177.584 0.024 0.000 1.062 413 A CA 0.631 52.687 52.037 0.031 0.000 0.761 413 A CB -0.323 18.704 19.000 0.045 0.000 0.986 413 A HN 2.215 nan 8.150 nan 0.000 0.510 414 G N 2.040 110.848 108.800 0.013 0.000 2.920 414 G HA2 0.216 4.176 3.960 0.000 0.000 0.208 414 G HA3 0.216 4.176 3.960 0.000 0.000 0.208 414 G C 0.929 175.834 174.900 0.009 0.000 1.159 414 G CA 0.732 45.837 45.100 0.008 0.000 0.784 414 G HN 1.123 nan 8.290 nan 0.000 0.535 415 G N -0.664 108.145 108.800 0.015 0.000 3.314 415 G HA2 0.399 4.359 3.960 0.000 0.000 0.238 415 G HA3 0.399 4.359 3.960 0.000 0.000 0.238 415 G C 1.249 176.169 174.900 0.033 0.000 1.184 415 G CA 0.312 45.421 45.100 0.015 0.000 0.806 415 G HN 1.118 nan 8.290 nan 0.000 0.536 416 G N -0.665 108.154 108.800 0.031 0.000 2.299 416 G HA2 -0.397 3.563 3.960 0.000 0.000 0.237 416 G HA3 -0.397 3.563 3.960 0.000 0.000 0.237 416 G C 1.478 176.405 174.900 0.045 0.000 1.027 416 G CA 0.625 45.748 45.100 0.038 0.000 0.619 416 G HN 0.626 nan 8.290 nan 0.000 0.513 417 V N 1.521 121.466 119.914 0.051 0.000 2.277 417 V HA -0.170 3.950 4.120 0.000 0.000 0.253 417 V C 3.369 179.495 176.094 0.054 0.000 1.067 417 V CA 3.474 65.810 62.300 0.061 0.000 1.047 417 V CB -1.528 30.333 31.823 0.063 0.000 0.649 417 V HN 1.308 nan 8.190 nan 0.000 0.447 418 A N -0.137 122.710 122.820 0.044 0.000 1.892 418 A HA -0.183 4.137 4.320 0.000 0.000 0.218 418 A C 2.223 179.829 177.584 0.037 0.000 1.188 418 A CA 2.124 54.185 52.037 0.040 0.000 0.631 418 A CB -0.561 18.459 19.000 0.033 0.000 0.822 418 A HN 0.442 nan 8.150 nan 0.000 0.447 419 L N -0.545 120.699 121.223 0.035 0.000 2.056 419 L HA -0.130 4.210 4.340 0.000 0.000 0.207 419 L C 2.576 179.466 176.870 0.033 0.000 1.078 419 L CA 1.256 56.114 54.840 0.031 0.000 0.749 419 L CB -1.050 41.026 42.059 0.029 0.000 0.901 419 L HN 0.348 nan 8.230 nan 0.000 0.433 420 I N 0.167 120.760 120.570 0.040 0.000 2.248 420 I HA -0.331 3.839 4.170 0.000 0.000 0.248 420 I C 2.763 178.905 176.117 0.041 0.000 1.107 420 I CA 1.367 62.692 61.300 0.041 0.000 1.373 420 I CB -0.487 37.544 38.000 0.051 0.000 1.055 420 I HN 0.327 nan 8.210 nan 0.000 0.418 421 R N 0.963 121.490 120.500 0.045 0.000 2.055 421 R HA -0.124 4.216 4.340 0.000 0.000 0.228 421 R C 2.375 178.695 176.300 0.032 0.000 1.143 421 R CA 2.078 58.205 56.100 0.045 0.000 0.945 421 R CB -0.597 29.734 30.300 0.052 0.000 0.841 421 R HN 0.271 nan 8.270 nan 0.000 0.429 422 V N -0.692 119.239 119.914 0.029 0.000 2.469 422 V HA -0.119 4.001 4.120 0.000 0.000 0.251 422 V C 2.142 178.247 176.094 0.019 0.000 1.064 422 V CA 1.887 64.201 62.300 0.022 0.000 1.066 422 V CB -1.175 30.660 31.823 0.020 0.000 0.667 422 V HN 0.406 nan 8.190 nan 0.000 0.461 423 A N 1.470 124.302 122.820 0.021 0.000 1.902 423 A HA -0.156 4.164 4.320 0.000 0.000 0.217 423 A C 2.628 180.222 177.584 0.015 0.000 1.181 423 A CA 2.570 54.617 52.037 0.017 0.000 0.623 423 A CB -1.114 17.897 19.000 0.019 0.000 0.818 423 A HN 1.044 nan 8.150 nan 0.000 0.443 424 S N -0.319 115.392 115.700 0.018 0.000 2.453 424 S HA -0.103 4.367 4.470 0.000 0.000 0.231 424 S C 1.771 176.378 174.600 0.012 0.000 1.005 424 S CA 1.198 59.407 58.200 0.015 0.000 0.949 424 S CB -0.285 62.926 63.200 0.018 0.000 0.774 424 S HN 0.575 nan 8.310 nan 0.000 0.510 425 K N 1.076 121.484 120.400 0.013 0.000 1.984 425 K HA 0.008 4.328 4.320 0.000 0.000 0.209 425 K C 0.755 177.360 176.600 0.008 0.000 1.046 425 K CA 1.248 57.541 56.287 0.010 0.000 0.934 425 K CB -0.590 31.918 32.500 0.012 0.000 0.717 425 K HN 0.486 nan 8.250 nan 0.000 0.438 426 L N -0.286 120.941 121.223 0.008 0.000 2.934 426 L HA 0.321 4.661 4.340 0.000 0.000 0.233 426 L C 0.707 177.580 176.870 0.006 0.000 1.358 426 L CA -0.047 54.797 54.840 0.006 0.000 1.233 426 L CB 0.314 42.377 42.059 0.006 0.000 1.594 426 L HN -0.087 nan 8.230 nan 0.000 0.439 427 A N -1.371 121.452 122.820 0.005 0.000 2.507 427 A HA 0.240 4.560 4.320 0.000 0.000 0.270 427 A C 1.115 178.701 177.584 0.003 0.000 1.318 427 A CA -0.088 51.951 52.037 0.004 0.000 0.924 427 A CB -0.175 18.828 19.000 0.005 0.000 1.061 427 A HN 0.387 nan 8.150 nan 0.000 0.516 428 D N -0.755 119.647 120.400 0.002 0.000 2.366 428 D HA 0.087 4.727 4.640 0.000 0.000 0.205 428 D C 0.483 176.784 176.300 0.002 0.000 1.022 428 D CA -0.083 53.918 54.000 0.002 0.000 0.868 428 D CB 0.032 40.833 40.800 0.001 0.000 0.953 428 D HN 0.299 nan 8.370 nan 0.000 0.514 429 L N 2.150 123.374 121.223 0.002 0.000 2.653 429 L HA -0.086 4.254 4.340 0.000 0.000 0.288 429 L C 0.517 177.388 176.870 0.002 0.000 1.243 429 L CA 0.946 55.788 54.840 0.002 0.000 0.906 429 L CB -0.005 42.055 42.059 0.003 0.000 1.154 429 L HN -0.092 nan 8.230 nan 0.000 0.498 430 R N 2.926 123.427 120.500 0.001 0.000 2.912 430 R HA 0.759 5.099 4.340 0.000 0.000 0.262 430 R C -0.045 176.256 176.300 0.001 0.000 1.057 430 R CA -0.307 55.793 56.100 0.001 0.000 0.981 430 R CB 1.381 31.681 30.300 0.001 0.000 1.201 430 R HN 0.775 nan 8.270 nan 0.000 0.484 431 G N -0.099 108.702 108.800 0.001 0.000 3.212 431 G HA2 0.307 4.267 3.960 0.000 0.000 0.188 431 G HA3 0.307 4.267 3.960 0.000 0.000 0.188 431 G C -0.247 174.654 174.900 0.001 0.000 1.254 431 G CA -0.090 45.010 45.100 0.001 0.000 0.957 431 G HN 0.358 nan 8.290 nan 0.000 0.596 432 Q N -0.589 119.212 119.800 0.001 0.000 2.581 432 Q HA 0.185 4.526 4.340 0.000 0.000 0.222 432 Q C 1.079 177.079 176.000 0.001 0.000 0.904 432 Q CA -0.073 55.730 55.803 0.001 0.000 0.923 432 Q CB -0.185 28.554 28.738 0.001 0.000 1.117 432 Q HN 0.524 nan 8.270 nan 0.000 0.618 433 N N 2.055 120.756 118.700 0.001 0.000 2.458 433 N HA -0.084 4.656 4.740 0.000 0.000 0.258 433 N C 0.737 176.247 175.510 0.001 0.000 1.219 433 N CA 0.034 53.085 53.050 0.001 0.000 0.902 433 N CB 0.574 39.062 38.487 0.002 0.000 1.076 433 N HN 0.354 nan 8.380 nan 0.000 0.455 434 E N 2.233 122.434 120.200 0.001 0.000 2.401 434 E HA -0.229 4.121 4.350 0.000 0.000 0.199 434 E C -0.017 176.584 176.600 0.002 0.000 1.023 434 E CA 0.999 57.400 56.400 0.001 0.000 0.859 434 E CB 0.124 29.825 29.700 0.001 0.000 0.780 434 E HN 0.568 nan 8.360 nan 0.000 0.523 435 D N 1.398 121.799 120.400 0.002 0.000 2.144 435 D HA -0.119 4.521 4.640 0.000 0.000 0.200 435 D C 1.812 178.114 176.300 0.003 0.000 0.978 435 D CA 0.982 54.984 54.000 0.003 0.000 0.833 435 D CB -0.072 40.730 40.800 0.003 0.000 0.961 435 D HN 0.392 nan 8.370 nan 0.000 0.470 436 Q N -0.007 119.794 119.800 0.002 0.000 2.245 436 Q HA -0.037 4.303 4.340 0.000 0.000 0.201 436 Q C 1.625 177.626 176.000 0.002 0.000 0.955 436 Q CA 0.423 56.227 55.803 0.002 0.000 0.870 436 Q CB 0.133 28.872 28.738 0.002 0.000 0.945 436 Q HN 0.171 nan 8.270 nan 0.000 0.461 437 N N 0.055 118.757 118.700 0.002 0.000 2.142 437 N HA -0.119 4.621 4.740 0.000 0.000 0.186 437 N C 1.779 177.290 175.510 0.003 0.000 1.023 437 N CA 0.975 54.027 53.050 0.002 0.000 0.852 437 N CB -0.218 38.270 38.487 0.002 0.000 0.998 437 N HN 0.033 nan 8.380 nan 0.000 0.424 438 V N 0.689 120.604 119.914 0.003 0.000 2.343 438 V HA -0.136 3.984 4.120 0.000 0.000 0.247 438 V C 2.402 178.498 176.094 0.004 0.000 1.051 438 V CA 1.929 64.231 62.300 0.004 0.000 1.036 438 V CB -1.277 30.548 31.823 0.004 0.000 0.654 438 V HN 0.328 nan 8.190 nan 0.000 0.451 439 G N 0.555 109.357 108.800 0.004 0.000 2.514 439 G HA2 -0.279 3.681 3.960 0.000 0.000 0.217 439 G HA3 -0.279 3.681 3.960 0.000 0.000 0.217 439 G C 1.540 176.442 174.900 0.004 0.000 1.198 439 G CA 1.443 46.546 45.100 0.004 0.000 0.780 439 G HN 0.505 nan 8.290 nan 0.000 0.565 440 I N 0.666 121.239 120.570 0.004 0.000 2.208 440 I HA -0.179 3.991 4.170 0.000 0.000 0.245 440 I C 2.816 178.936 176.117 0.005 0.000 1.097 440 I CA 1.405 62.708 61.300 0.004 0.000 1.363 440 I CB -0.196 37.806 38.000 0.003 0.000 1.051 440 I HN 0.099 nan 8.210 nan 0.000 0.413 441 K N 0.570 120.973 120.400 0.005 0.000 1.973 441 K HA -0.147 4.173 4.320 0.000 0.000 0.212 441 K C 2.186 178.790 176.600 0.007 0.000 1.047 441 K CA 1.591 57.881 56.287 0.005 0.000 0.937 441 K CB -0.696 31.806 32.500 0.005 0.000 0.721 441 K HN 0.101 nan 8.250 nan 0.000 0.440 442 V N 1.781 121.699 119.914 0.007 0.000 2.257 442 V HA -0.378 3.742 4.120 0.000 0.000 0.257 442 V C 2.482 178.582 176.094 0.009 0.000 1.077 442 V CA 2.354 64.659 62.300 0.008 0.000 1.063 442 V CB -0.851 30.976 31.823 0.008 0.000 0.664 442 V HN 0.492 nan 8.190 nan 0.000 0.450 443 A N -1.033 121.792 122.820 0.008 0.000 1.858 443 A HA -0.152 4.168 4.320 0.000 0.000 0.216 443 A C 2.205 179.795 177.584 0.010 0.000 1.190 443 A CA 1.994 54.036 52.037 0.009 0.000 0.617 443 A CB -0.541 18.463 19.000 0.007 0.000 0.827 443 A HN 0.488 nan 8.150 nan 0.000 0.443 444 L N -0.736 120.492 121.223 0.009 0.000 1.956 444 L HA -0.240 4.100 4.340 0.000 0.000 0.216 444 L C 2.876 179.753 176.870 0.012 0.000 1.073 444 L CA 2.125 56.971 54.840 0.010 0.000 0.762 444 L CB -0.485 41.579 42.059 0.009 0.000 0.889 444 L HN 0.535 nan 8.230 nan 0.000 0.433 445 R N 0.376 120.883 120.500 0.011 0.000 2.241 445 R HA -0.139 4.201 4.340 0.000 0.000 0.224 445 R C 2.004 178.312 176.300 0.013 0.000 1.101 445 R CA 1.110 57.216 56.100 0.011 0.000 0.995 445 R CB -0.130 30.175 30.300 0.009 0.000 0.870 445 R HN 0.371 nan 8.270 nan 0.000 0.463 446 A N 1.048 123.876 122.820 0.013 0.000 2.015 446 A HA -0.075 4.245 4.320 0.000 0.000 0.219 446 A C 2.058 179.652 177.584 0.018 0.000 1.163 446 A CA 1.064 53.110 52.037 0.015 0.000 0.646 446 A CB -0.291 18.719 19.000 0.016 0.000 0.806 446 A HN 0.380 nan 8.150 nan 0.000 0.448 447 M N -0.376 119.235 119.600 0.018 0.000 2.557 447 M HA -0.072 4.408 4.480 0.000 0.000 0.259 447 M C 1.209 177.523 176.300 0.023 0.000 1.086 447 M CA 0.923 56.236 55.300 0.021 0.000 1.096 447 M CB -0.278 32.334 32.600 0.020 0.000 1.424 447 M HN 0.443 nan 8.290 nan 0.000 0.488 448 E N 0.637 120.850 120.200 0.022 0.000 2.442 448 E HA 0.061 4.411 4.350 0.000 0.000 0.195 448 E C 2.071 178.685 176.600 0.024 0.000 1.030 448 E CA 0.416 56.830 56.400 0.024 0.000 0.869 448 E CB 0.056 29.768 29.700 0.020 0.000 0.857 448 E HN 0.485 nan 8.360 nan 0.000 0.505 449 A N 2.775 125.608 122.820 0.022 0.000 1.859 449 A HA -0.153 4.167 4.320 0.000 0.000 0.217 449 A C -0.264 177.334 177.584 0.023 0.000 1.198 449 A CA 1.398 53.447 52.037 0.020 0.000 0.629 449 A CB -1.580 17.431 19.000 0.019 0.000 0.830 449 A HN 0.120 nan 8.150 nan 0.000 0.446 450 P HA -0.199 nan 4.420 nan 0.000 0.214 450 P C 1.780 179.100 177.300 0.034 0.000 1.169 450 P CA 1.322 64.438 63.100 0.026 0.000 0.908 450 P CB -0.150 31.566 31.700 0.026 0.000 0.791 451 L N -0.663 120.584 121.223 0.041 0.000 1.990 451 L HA -0.226 4.114 4.340 0.000 0.000 0.213 451 L C 2.465 179.364 176.870 0.049 0.000 1.072 451 L CA 2.040 56.914 54.840 0.056 0.000 0.755 451 L CB -0.762 41.335 42.059 0.064 0.000 0.889 451 L HN -0.248 nan 8.230 nan 0.000 0.432 452 R N -1.107 119.413 120.500 0.034 0.000 2.103 452 R HA -0.239 4.101 4.340 0.000 0.000 0.242 452 R C 2.350 178.666 176.300 0.026 0.000 1.142 452 R CA 1.766 57.880 56.100 0.025 0.000 0.960 452 R CB -0.426 29.884 30.300 0.017 0.000 0.858 452 R HN 0.449 nan 8.270 nan 0.000 0.439 453 Q N 0.589 120.405 119.800 0.026 0.000 2.050 453 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 453 Q C 1.854 177.872 176.000 0.031 0.000 0.980 453 Q CA 1.612 57.430 55.803 0.024 0.000 0.840 453 Q CB -0.103 28.647 28.738 0.020 0.000 0.898 453 Q HN 0.264 nan 8.270 nan 0.000 0.424 454 I N -0.224 120.369 120.570 0.039 0.000 2.113 454 I HA -0.299 3.871 4.170 0.000 0.000 0.242 454 I C 2.188 178.344 176.117 0.064 0.000 1.064 454 I CA 1.305 62.633 61.300 0.046 0.000 1.320 454 I CB -1.243 36.789 38.000 0.053 0.000 1.028 454 I HN 0.113 nan 8.210 nan 0.000 0.406 455 V N 0.940 120.904 119.914 0.083 0.000 2.332 455 V HA -0.276 3.844 4.120 0.000 0.000 0.248 455 V C 2.555 178.678 176.094 0.049 0.000 1.055 455 V CA 1.831 64.184 62.300 0.089 0.000 1.038 455 V CB -0.638 31.206 31.823 0.034 0.000 0.651 455 V HN 0.346 nan 8.190 nan 0.000 0.450 456 L N 0.565 121.808 121.223 0.032 0.000 2.027 456 L HA -0.120 4.220 4.340 0.000 0.000 0.206 456 L C 2.218 179.101 176.870 0.021 0.000 1.074 456 L CA 1.923 56.776 54.840 0.021 0.000 0.745 456 L CB -0.826 41.242 42.059 0.016 0.000 0.898 456 L HN 0.293 nan 8.230 nan 0.000 0.433 457 N N -0.646 118.068 118.700 0.022 0.000 2.137 457 N HA -0.227 4.513 4.740 0.000 0.000 0.190 457 N C 1.804 177.326 175.510 0.019 0.000 1.017 457 N CA 1.847 54.908 53.050 0.018 0.000 0.859 457 N CB -1.019 37.478 38.487 0.017 0.000 1.002 457 N HN 0.446 nan 8.380 nan 0.000 0.428 458 C N -0.871 118.447 119.300 0.030 0.000 2.472 458 C HA 0.189 4.649 4.460 0.000 0.000 0.278 458 C C 1.825 176.833 174.990 0.029 0.000 1.447 458 C CA 0.564 59.602 59.018 0.033 0.000 1.773 458 C CB -1.302 26.475 27.740 0.062 0.000 1.793 458 C HN 0.680 nan 8.230 nan 0.000 0.544 459 G N 0.506 109.321 108.800 0.025 0.000 2.176 459 G HA2 -0.178 3.782 3.960 0.000 0.000 0.253 459 G HA3 -0.178 3.782 3.960 0.000 0.000 0.253 459 G C -0.075 174.836 174.900 0.019 0.000 0.979 459 G CA 0.308 45.419 45.100 0.018 0.000 0.641 459 G HN 0.577 nan 8.290 nan 0.000 0.530 460 E N 0.530 120.746 120.200 0.027 0.000 2.351 460 E HA 0.370 4.720 4.350 0.000 0.000 0.255 460 E C 0.043 176.639 176.600 -0.006 0.000 1.188 460 E CA -0.651 55.755 56.400 0.011 0.000 0.940 460 E CB 0.721 30.428 29.700 0.012 0.000 1.094 460 E HN 0.329 nan 8.360 nan 0.000 0.474 461 E N 1.539 121.724 120.200 -0.025 0.000 2.257 461 E HA 0.076 4.427 4.350 0.000 0.000 0.278 461 E C -1.730 174.844 176.600 -0.043 0.000 1.049 461 E CA -1.530 54.853 56.400 -0.028 0.000 0.876 461 E CB 1.026 30.709 29.700 -0.030 0.000 1.035 461 E HN 0.225 nan 8.360 nan 0.000 0.419 462 P HA -0.144 nan 4.420 nan 0.000 0.211 462 P C 1.485 178.768 177.300 -0.029 0.000 1.191 462 P CA 1.242 64.328 63.100 -0.024 0.000 0.909 462 P CB 0.045 31.742 31.700 -0.005 0.000 0.770 463 S N -0.164 115.525 115.700 -0.018 0.000 2.426 463 S HA -0.253 4.217 4.470 0.000 0.000 0.253 463 S C 2.053 176.637 174.600 -0.026 0.000 1.104 463 S CA 2.304 60.494 58.200 -0.016 0.000 1.158 463 S CB -2.118 61.075 63.200 -0.012 0.000 1.043 463 S HN -0.050 nan 8.310 nan 0.000 0.443 464 V N 1.414 121.308 119.914 -0.034 0.000 2.270 464 V HA -0.122 3.998 4.120 0.000 0.000 0.245 464 V C 2.676 178.736 176.094 -0.057 0.000 1.043 464 V CA 1.750 64.026 62.300 -0.040 0.000 1.014 464 V CB -0.777 31.025 31.823 -0.035 0.000 0.645 464 V HN 0.484 nan 8.190 nan 0.000 0.447 465 V N 0.101 119.954 119.914 -0.100 0.000 2.343 465 V HA -0.274 3.846 4.120 0.000 0.000 0.247 465 V C 2.674 178.744 176.094 -0.041 0.000 1.051 465 V CA 2.030 64.248 62.300 -0.136 0.000 1.036 465 V CB -1.067 30.519 31.823 -0.395 0.000 0.654 465 V HN 0.569 nan 8.190 nan 0.000 0.451 466 A N 0.786 123.589 122.820 -0.029 0.000 1.849 466 A HA -0.368 3.952 4.320 0.000 0.000 0.217 466 A C 2.059 179.644 177.584 0.001 0.000 1.202 466 A CA 2.677 54.716 52.037 0.004 0.000 0.629 466 A CB -1.132 17.870 19.000 0.004 0.000 0.834 466 A HN 0.709 nan 8.150 nan 0.000 0.447 467 N N -0.565 118.126 118.700 -0.015 0.000 2.091 467 N HA -0.221 4.519 4.740 0.000 0.000 0.193 467 N C 1.769 177.260 175.510 -0.031 0.000 1.021 467 N CA 3.360 56.398 53.050 -0.019 0.000 0.862 467 N CB -0.523 37.950 38.487 -0.023 0.000 1.018 467 N HN 0.543 nan 8.380 nan 0.000 0.429 468 T N -2.196 112.316 114.554 -0.070 0.000 2.904 468 T HA -0.008 4.342 4.350 0.000 0.000 0.267 468 T C 1.938 176.608 174.700 -0.051 0.000 1.059 468 T CA 1.211 63.235 62.100 -0.127 0.000 1.137 468 T CB -0.740 67.940 68.868 -0.314 0.000 0.879 468 T HN 0.036 nan 8.240 nan 0.000 0.467 469 V N 1.994 121.912 119.914 0.006 0.000 2.392 469 V HA -0.143 3.977 4.120 0.000 0.000 0.249 469 V C 2.819 178.989 176.094 0.127 0.000 1.059 469 V CA 1.867 64.233 62.300 0.111 0.000 1.051 469 V CB -0.534 31.364 31.823 0.125 0.000 0.658 469 V HN 0.564 nan 8.190 nan 0.000 0.455 470 K N 0.264 120.703 120.400 0.064 0.000 2.148 470 K HA -0.087 4.233 4.320 0.000 0.000 0.204 470 K C 2.178 178.799 176.600 0.035 0.000 1.050 470 K CA 1.404 57.719 56.287 0.047 0.000 0.942 470 K CB -0.571 31.942 32.500 0.023 0.000 0.724 470 K HN 0.562 nan 8.250 nan 0.000 0.446 471 G N 1.316 110.130 108.800 0.023 0.000 2.509 471 G HA2 -0.095 3.865 3.960 0.000 0.000 0.218 471 G HA3 -0.095 3.865 3.960 0.000 0.000 0.218 471 G C 0.869 175.748 174.900 -0.034 0.000 1.124 471 G CA 0.720 45.814 45.100 -0.010 0.000 0.776 471 G HN 0.359 nan 8.290 nan 0.000 0.547 472 G N -0.950 107.856 108.800 0.010 0.000 2.582 472 G HA2 0.496 4.457 3.960 0.000 0.000 0.232 472 G HA3 0.496 4.457 3.960 0.000 0.000 0.232 472 G C -0.881 174.000 174.900 -0.032 0.000 1.458 472 G CA -0.368 44.673 45.100 -0.098 0.000 1.062 472 G HN 0.151 nan 8.290 nan 0.000 0.566 473 D N -2.174 118.212 120.400 -0.024 0.000 2.583 473 D HA 0.489 5.129 4.640 0.000 0.000 0.248 473 D C 0.745 177.079 176.300 0.058 0.000 1.209 473 D CA 0.630 54.634 54.000 0.007 0.000 0.848 473 D CB 1.912 42.692 40.800 -0.034 0.000 1.431 473 D HN 0.888 nan 8.370 nan 0.000 0.436 474 G N 1.585 110.415 108.800 0.051 0.000 2.611 474 G HA2 -0.316 3.644 3.960 0.000 0.000 0.301 474 G HA3 -0.316 3.644 3.960 0.000 0.000 0.301 474 G C 0.306 175.260 174.900 0.090 0.000 1.233 474 G CA 0.093 45.228 45.100 0.060 0.000 0.993 474 G HN 0.583 nan 8.290 nan 0.000 0.553 475 N N 0.481 119.241 118.700 0.101 0.000 2.327 475 N HA 0.172 4.912 4.740 0.000 0.000 0.231 475 N C -0.002 175.610 175.510 0.170 0.000 1.130 475 N CA 0.050 53.166 53.050 0.110 0.000 0.845 475 N CB 0.355 38.887 38.487 0.076 0.000 1.073 475 N HN 0.476 nan 8.380 nan 0.000 0.496 476 Y N 1.275 121.604 120.300 0.049 0.000 2.411 476 Y HA 0.400 4.950 4.550 0.000 0.000 0.333 476 Y C 0.866 176.827 175.900 0.101 0.000 1.186 476 Y CA 0.362 58.504 58.100 0.071 0.000 1.381 476 Y CB 0.538 39.030 38.460 0.055 0.000 1.273 476 Y HN 0.158 nan 8.280 nan 0.000 0.546 477 G N 3.340 112.008 108.800 -0.221 0.000 2.561 477 G HA2 0.290 4.250 3.960 0.000 0.000 0.310 477 G HA3 0.290 4.250 3.960 0.000 0.000 0.310 477 G C -2.554 172.331 174.900 -0.024 0.000 1.292 477 G CA -0.872 44.188 45.100 -0.067 0.000 0.811 477 G HN 0.616 nan 8.290 nan 0.000 0.482 478 Y N 1.136 121.402 120.300 -0.057 0.000 2.376 478 Y HA 0.693 5.243 4.550 0.000 0.000 0.340 478 Y C -0.699 175.104 175.900 -0.161 0.000 0.965 478 Y CA -1.561 56.444 58.100 -0.158 0.000 1.078 478 Y CB 2.122 40.531 38.460 -0.085 0.000 1.193 478 Y HN 0.498 nan 8.280 nan 0.000 0.452 479 N N 4.741 123.022 118.700 -0.698 0.000 2.589 479 N HA 0.297 5.037 4.740 0.000 0.000 0.232 479 N C 0.493 175.465 175.510 -0.897 0.000 1.015 479 N CA 0.394 53.098 53.050 -0.576 0.000 0.931 479 N CB 1.201 39.481 38.487 -0.345 0.000 1.150 479 N HN 0.874 nan 8.380 nan 0.000 0.512 480 A N 3.606 125.967 122.820 -0.765 0.000 1.997 480 A HA -0.174 4.146 4.320 0.000 0.000 0.221 480 A C 2.071 179.465 177.584 -0.317 0.000 1.172 480 A CA 2.082 53.802 52.037 -0.527 0.000 0.645 480 A CB -0.827 18.095 19.000 -0.129 0.000 0.813 480 A HN 0.737 nan 8.150 nan 0.000 0.454 481 A N -0.839 121.831 122.820 -0.251 0.000 1.898 481 A HA -0.030 4.290 4.320 0.000 0.000 0.216 481 A C 2.255 179.738 177.584 -0.168 0.000 1.181 481 A CA 2.284 54.225 52.037 -0.160 0.000 0.620 481 A CB -0.859 18.068 19.000 -0.122 0.000 0.819 481 A HN 0.907 nan 8.150 nan 0.000 0.442 482 T N -2.923 111.493 114.554 -0.231 0.000 3.054 482 T HA 0.228 4.578 4.350 0.000 0.000 0.255 482 T C 0.217 174.781 174.700 -0.227 0.000 1.035 482 T CA 0.648 62.636 62.100 -0.186 0.000 0.941 482 T CB -0.348 68.424 68.868 -0.159 0.000 1.026 482 T HN 0.634 nan 8.240 nan 0.000 0.533 483 E N 0.121 120.100 120.200 -0.367 0.000 2.539 483 E HA -0.222 4.128 4.350 0.000 0.000 0.253 483 E C -0.658 175.762 176.600 -0.300 0.000 1.145 483 E CA 0.705 56.905 56.400 -0.334 0.000 0.738 483 E CB -2.330 27.348 29.700 -0.037 0.000 1.308 483 E HN 0.712 nan 8.360 nan 0.000 0.409 484 E N -0.270 119.682 120.200 -0.413 0.000 2.199 484 E HA 0.454 4.804 4.350 0.000 0.000 0.269 484 E C -0.710 175.687 176.600 -0.338 0.000 0.899 484 E CA -0.696 55.536 56.400 -0.281 0.000 0.772 484 E CB 1.008 30.628 29.700 -0.133 0.000 1.155 484 E HN 0.118 nan 8.360 nan 0.000 0.408 485 Y N 0.965 121.249 120.300 -0.025 0.000 2.300 485 Y HA 0.620 5.170 4.550 0.000 0.000 0.328 485 Y C 1.210 176.986 175.900 -0.206 0.000 1.270 485 Y CA 0.437 58.413 58.100 -0.207 0.000 1.352 485 Y CB 1.364 39.645 38.460 -0.297 0.000 1.286 485 Y HN 0.641 nan 8.280 nan 0.000 0.536 486 G N 0.553 109.242 108.800 -0.185 0.000 2.356 486 G HA2 -0.015 3.945 3.960 0.000 0.000 0.281 486 G HA3 -0.015 3.945 3.960 0.000 0.000 0.281 486 G C -1.860 173.093 174.900 0.088 0.000 1.246 486 G CA -1.081 44.045 45.100 0.043 0.000 0.889 486 G HN 0.519 nan 8.290 nan 0.000 0.486 487 N N 1.307 120.085 118.700 0.131 0.000 2.462 487 N HA 0.152 4.892 4.740 0.000 0.000 0.242 487 N C 1.707 177.248 175.510 0.051 0.000 1.010 487 N CA -0.569 52.555 53.050 0.123 0.000 0.939 487 N CB 0.809 39.365 38.487 0.115 0.000 1.127 487 N HN 0.374 nan 8.380 nan 0.000 0.509 488 M N 3.210 122.830 119.600 0.034 0.000 2.143 488 M HA -0.217 4.263 4.480 0.000 0.000 0.258 488 M C 1.644 177.948 176.300 0.007 0.000 1.071 488 M CA 1.415 56.716 55.300 0.003 0.000 1.088 488 M CB -0.530 32.076 32.600 0.010 0.000 1.360 488 M HN 0.591 nan 8.290 nan 0.000 0.404 489 I N -0.053 120.531 120.570 0.023 0.000 2.277 489 I HA -0.256 3.914 4.170 0.000 0.000 0.243 489 I C 1.928 178.054 176.117 0.014 0.000 1.094 489 I CA 1.054 62.365 61.300 0.018 0.000 1.393 489 I CB -0.362 37.653 38.000 0.025 0.000 1.078 489 I HN 0.185 nan 8.210 nan 0.000 0.417 490 D N 0.820 121.233 120.400 0.022 0.000 2.116 490 D HA -0.218 4.422 4.640 0.000 0.000 0.193 490 D C 2.056 178.359 176.300 0.005 0.000 0.998 490 D CA 1.615 55.626 54.000 0.018 0.000 0.836 490 D CB -0.281 40.537 40.800 0.029 0.000 0.951 490 D HN 0.325 nan 8.370 nan 0.000 0.449 491 M N -0.656 118.943 119.600 -0.002 0.000 2.686 491 M HA 0.131 4.611 4.480 0.000 0.000 0.246 491 M C 1.044 177.327 176.300 -0.029 0.000 1.096 491 M CA 0.708 55.994 55.300 -0.023 0.000 1.076 491 M CB 0.160 32.733 32.600 -0.045 0.000 1.504 491 M HN 0.084 nan 8.290 nan 0.000 0.524 492 G N 1.685 110.475 108.800 -0.017 0.000 2.182 492 G HA2 -0.197 3.763 3.960 0.000 0.000 0.248 492 G HA3 -0.197 3.763 3.960 0.000 0.000 0.248 492 G C -0.206 174.680 174.900 -0.023 0.000 1.042 492 G CA -0.364 44.725 45.100 -0.017 0.000 0.775 492 G HN 0.394 nan 8.290 nan 0.000 0.501 493 I N 1.394 121.949 120.570 -0.025 0.000 2.697 493 I HA 0.434 4.604 4.170 0.000 0.000 0.279 493 I C 0.500 176.610 176.117 -0.012 0.000 1.171 493 I CA -1.173 60.110 61.300 -0.028 0.000 1.135 493 I CB 0.348 38.318 38.000 -0.049 0.000 1.445 493 I HN 0.408 nan 8.210 nan 0.000 0.541 494 L N 1.641 122.861 121.223 -0.005 0.000 2.341 494 L HA 0.830 5.170 4.340 0.000 0.000 0.267 494 L C -1.242 175.632 176.870 0.006 0.000 1.009 494 L CA -0.510 54.333 54.840 0.004 0.000 0.819 494 L CB 2.917 44.981 42.059 0.008 0.000 1.323 494 L HN 0.043 nan 8.230 nan 0.000 0.425 495 D N 2.144 122.550 120.400 0.010 0.000 2.362 495 D HA 0.509 5.149 4.640 0.000 0.000 0.247 495 D C -2.576 173.733 176.300 0.014 0.000 1.050 495 D CA -1.326 52.681 54.000 0.011 0.000 0.839 495 D CB 2.243 43.050 40.800 0.012 0.000 1.283 495 D HN 0.400 nan 8.370 nan 0.000 0.477 496 P HA 0.023 nan 4.420 nan 0.000 0.267 496 P C 0.821 178.132 177.300 0.019 0.000 1.200 496 P CA 0.071 63.182 63.100 0.019 0.000 0.772 496 P CB 0.663 32.375 31.700 0.021 0.000 0.855 497 T N 1.457 116.023 114.554 0.021 0.000 2.777 497 T HA -0.163 4.187 4.350 0.000 0.000 0.266 497 T C 1.643 176.357 174.700 0.023 0.000 1.040 497 T CA 1.180 63.292 62.100 0.021 0.000 1.141 497 T CB -0.340 68.540 68.868 0.019 0.000 0.868 497 T HN 0.471 nan 8.240 nan 0.000 0.444 498 K N 0.668 121.083 120.400 0.025 0.000 2.059 498 K HA -0.156 4.164 4.320 0.000 0.000 0.212 498 K C 2.418 179.038 176.600 0.033 0.000 1.050 498 K CA 1.734 58.038 56.287 0.029 0.000 0.927 498 K CB -0.464 32.055 32.500 0.031 0.000 0.714 498 K HN 0.304 nan 8.250 nan 0.000 0.447 499 V N -0.142 119.787 119.914 0.025 0.000 2.379 499 V HA -0.175 3.945 4.120 0.000 0.000 0.245 499 V C 1.724 177.835 176.094 0.029 0.000 1.044 499 V CA 2.407 64.720 62.300 0.022 0.000 1.036 499 V CB -0.638 31.186 31.823 0.002 0.000 0.664 499 V HN 0.356 nan 8.190 nan 0.000 0.453 500 T N 0.794 115.364 114.554 0.026 0.000 2.720 500 T HA -0.215 4.135 4.350 0.000 0.000 0.268 500 T C 1.931 176.652 174.700 0.034 0.000 1.037 500 T CA 2.287 64.404 62.100 0.028 0.000 1.144 500 T CB -0.418 68.465 68.868 0.025 0.000 0.864 500 T HN 0.669 nan 8.240 nan 0.000 0.444 501 R N 1.065 121.584 120.500 0.032 0.000 2.070 501 R HA -0.097 4.243 4.340 0.000 0.000 0.232 501 R C 2.599 178.927 176.300 0.046 0.000 1.138 501 R CA 1.900 58.017 56.100 0.029 0.000 0.936 501 R CB -0.595 29.716 30.300 0.019 0.000 0.839 501 R HN 0.236 nan 8.270 nan 0.000 0.429 502 S N 0.925 116.671 115.700 0.076 0.000 2.381 502 S HA -0.268 4.202 4.470 0.000 0.000 0.230 502 S C 2.091 176.824 174.600 0.220 0.000 1.052 502 S CA 1.539 59.840 58.200 0.169 0.000 1.068 502 S CB -0.544 62.773 63.200 0.196 0.000 0.918 502 S HN 0.620 nan 8.310 nan 0.000 0.448 503 A N 1.215 124.113 122.820 0.130 0.000 1.892 503 A HA -0.101 4.220 4.320 0.000 0.000 0.218 503 A C 2.163 179.814 177.584 0.111 0.000 1.188 503 A CA 1.541 53.644 52.037 0.109 0.000 0.631 503 A CB -0.778 18.256 19.000 0.057 0.000 0.822 503 A HN 0.476 nan 8.150 nan 0.000 0.447 504 L N -1.274 119.992 121.223 0.071 0.000 2.072 504 L HA -0.178 4.162 4.340 0.000 0.000 0.205 504 L C 2.795 179.685 176.870 0.033 0.000 1.079 504 L CA 1.625 56.492 54.840 0.045 0.000 0.752 504 L CB -0.414 41.661 42.059 0.025 0.000 0.906 504 L HN 0.527 nan 8.230 nan 0.000 0.436 505 Q N -1.372 118.431 119.800 0.006 0.000 2.079 505 Q HA -0.226 4.114 4.340 0.000 0.000 0.200 505 Q C 1.997 177.939 176.000 -0.096 0.000 0.974 505 Q CA 1.739 57.494 55.803 -0.081 0.000 0.840 505 Q CB -0.088 28.551 28.738 -0.165 0.000 0.898 505 Q HN 0.441 nan 8.270 nan 0.000 0.430 506 Y N -0.023 120.277 120.300 0.000 0.000 2.242 506 Y HA -0.188 4.362 4.550 0.000 0.000 0.291 506 Y C 2.275 178.175 175.900 0.001 0.000 1.137 506 Y CA 1.111 59.210 58.100 -0.001 0.000 1.181 506 Y CB -0.443 38.015 38.460 -0.003 0.000 0.989 506 Y HN 0.146 nan 8.280 nan 0.000 0.527 507 A N -0.134 122.785 122.820 0.165 0.000 1.877 507 A HA -0.147 4.173 4.320 0.000 0.000 0.216 507 A C 2.414 180.036 177.584 0.064 0.000 1.186 507 A CA 1.862 53.957 52.037 0.096 0.000 0.620 507 A CB -1.251 17.788 19.000 0.065 0.000 0.822 507 A HN 0.387 nan 8.150 nan 0.000 0.443 508 A N -0.463 122.379 122.820 0.038 0.000 2.015 508 A HA -0.035 4.285 4.320 0.000 0.000 0.219 508 A C 2.430 180.020 177.584 0.010 0.000 1.163 508 A CA 2.060 54.106 52.037 0.015 0.000 0.646 508 A CB -0.751 18.248 19.000 -0.001 0.000 0.806 508 A HN 0.746 nan 8.150 nan 0.000 0.448 509 S N -0.669 115.036 115.700 0.009 0.000 2.345 509 S HA -0.118 4.352 4.470 0.000 0.000 0.220 509 S C 1.924 176.544 174.600 0.033 0.000 1.031 509 S CA 1.641 59.844 58.200 0.005 0.000 0.996 509 S CB -0.631 62.561 63.200 -0.014 0.000 0.882 509 S HN 0.575 nan 8.310 nan 0.000 0.445 510 V N 1.560 121.509 119.914 0.058 0.000 2.809 510 V HA 0.165 4.285 4.120 0.000 0.000 0.256 510 V C 2.583 178.699 176.094 0.036 0.000 1.080 510 V CA 1.607 63.938 62.300 0.052 0.000 1.102 510 V CB -0.906 30.953 31.823 0.061 0.000 0.705 510 V HN 0.634 nan 8.190 nan 0.000 0.475 511 A N 0.083 122.922 122.820 0.033 0.000 1.897 511 A HA 0.058 4.378 4.320 0.000 0.000 0.215 511 A C 2.346 179.942 177.584 0.020 0.000 1.181 511 A CA 1.582 53.634 52.037 0.025 0.000 0.620 511 A CB -1.291 17.723 19.000 0.022 0.000 0.821 511 A HN 0.596 nan 8.150 nan 0.000 0.443 512 G N -0.127 108.683 108.800 0.016 0.000 2.418 512 G HA2 -0.135 3.825 3.960 0.000 0.000 0.217 512 G HA3 -0.135 3.825 3.960 0.000 0.000 0.217 512 G C 1.393 176.302 174.900 0.015 0.000 1.158 512 G CA 1.164 46.271 45.100 0.012 0.000 0.771 512 G HN 0.316 nan 8.290 nan 0.000 0.545 513 L N 0.304 121.538 121.223 0.018 0.000 2.013 513 L HA -0.030 4.310 4.340 0.000 0.000 0.212 513 L C 3.031 179.914 176.870 0.021 0.000 1.073 513 L CA 1.581 56.434 54.840 0.020 0.000 0.753 513 L CB -0.710 41.364 42.059 0.025 0.000 0.890 513 L HN 0.248 nan 8.230 nan 0.000 0.432 514 M N -1.794 117.820 119.600 0.023 0.000 2.156 514 M HA -0.181 4.299 4.480 0.000 0.000 0.264 514 M C 2.173 178.486 176.300 0.021 0.000 1.067 514 M CA 1.474 56.788 55.300 0.023 0.000 1.131 514 M CB -0.259 32.356 32.600 0.024 0.000 1.368 514 M HN 0.131 nan 8.290 nan 0.000 0.416 515 I N 0.132 120.713 120.570 0.018 0.000 2.657 515 I HA -0.222 3.948 4.170 0.000 0.000 0.261 515 I C 1.328 177.455 176.117 0.018 0.000 1.212 515 I CA 1.204 62.514 61.300 0.017 0.000 1.453 515 I CB -0.315 37.694 38.000 0.014 0.000 1.092 515 I HN 0.371 nan 8.210 nan 0.000 0.452 516 T N -4.142 110.424 114.554 0.019 0.000 3.228 516 T HA 0.213 4.563 4.350 0.000 0.000 0.278 516 T C 0.436 175.151 174.700 0.025 0.000 1.014 516 T CA -0.344 61.769 62.100 0.021 0.000 0.904 516 T CB -0.211 68.667 68.868 0.017 0.000 1.110 516 T HN -0.101 nan 8.240 nan 0.000 0.541 517 T N 2.408 116.978 114.554 0.026 0.000 2.767 517 T HA 0.347 4.697 4.350 0.000 0.000 0.288 517 T C 0.537 175.259 174.700 0.036 0.000 0.963 517 T CA -0.488 61.629 62.100 0.028 0.000 1.019 517 T CB 1.597 70.480 68.868 0.025 0.000 0.923 517 T HN 0.048 nan 8.240 nan 0.000 0.468 518 E N 0.618 120.846 120.200 0.046 0.000 2.413 518 E HA 0.167 4.517 4.350 0.000 0.000 0.203 518 E C 0.365 177.011 176.600 0.075 0.000 0.957 518 E CA 0.147 56.596 56.400 0.080 0.000 0.950 518 E CB 0.632 30.397 29.700 0.109 0.000 0.957 518 E HN 0.570 nan 8.360 nan 0.000 0.497 519 C N 0.231 119.529 119.300 -0.003 0.000 2.994 519 C HA 0.749 5.209 4.460 0.000 0.000 0.304 519 C C -1.336 173.583 174.990 -0.118 0.000 1.273 519 C CA -0.586 58.334 59.018 -0.164 0.000 1.537 519 C CB 0.747 28.382 27.740 -0.176 0.000 2.001 519 C HN 0.165 nan 8.230 nan 0.000 0.471 520 M N 4.633 124.147 119.600 -0.142 0.000 2.206 520 M HA 0.424 4.904 4.480 0.000 0.000 0.272 520 M C -1.239 175.105 176.300 0.073 0.000 1.012 520 M CA -0.332 54.994 55.300 0.043 0.000 0.986 520 M CB 1.940 34.675 32.600 0.225 0.000 1.740 520 M HN 0.433 nan 8.290 nan 0.000 0.472 521 V N 1.688 121.597 119.914 -0.008 0.000 2.581 521 V HA 0.885 5.005 4.120 0.000 0.000 0.303 521 V C -0.048 175.965 176.094 -0.134 0.000 1.041 521 V CA -0.251 62.020 62.300 -0.048 0.000 0.907 521 V CB 2.066 33.857 31.823 -0.052 0.000 0.994 521 V HN 0.939 nan 8.190 nan 0.000 0.442 522 T N 1.700 116.143 114.554 -0.186 0.000 2.677 522 T HA 0.235 4.585 4.350 0.000 0.000 0.305 522 T C -1.751 172.834 174.700 -0.192 0.000 1.569 522 T CA -0.646 61.290 62.100 -0.274 0.000 0.984 522 T CB 1.763 70.277 68.868 -0.589 0.000 1.629 522 T HN 0.688 nan 8.240 nan 0.000 0.494 523 D N 1.284 121.582 120.400 -0.171 0.000 2.354 523 D HA 0.320 4.960 4.640 0.000 0.000 0.247 523 D C 0.136 176.384 176.300 -0.086 0.000 1.138 523 D CA -0.327 53.612 54.000 -0.102 0.000 0.958 523 D CB 0.843 41.599 40.800 -0.074 0.000 1.144 523 D HN 0.391 nan 8.370 nan 0.000 0.458 524 L N 1.988 123.187 121.223 -0.039 0.000 2.426 524 L HA 0.122 4.462 4.340 0.000 0.000 0.271 524 L C -1.449 175.413 176.870 -0.013 0.000 1.169 524 L CA -1.353 53.480 54.840 -0.011 0.000 0.836 524 L CB 0.320 42.380 42.059 0.002 0.000 1.112 524 L HN 0.218 nan 8.230 nan 0.000 0.465 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.103 63.100 0.005 0.000 0.800 525 P CB 0.000 31.715 31.700 0.026 0.000 0.726