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 1svt_1_E DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.574 177.584 -0.016 0.000 1.274 2 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 3 A N 2.198 125.010 122.820 -0.013 0.000 2.587 3 A HA 0.467 4.788 4.320 0.000 0.000 0.235 3 A C 0.362 177.934 177.584 -0.020 0.000 1.044 3 A CA 0.539 52.569 52.037 -0.011 0.000 0.754 3 A CB -0.129 18.867 19.000 -0.006 0.000 0.968 3 A HN 0.624 nan 8.150 nan 0.000 0.509 4 K N 1.458 121.849 120.400 -0.016 0.000 2.139 4 K HA 0.424 4.745 4.320 0.000 0.000 0.243 4 K C -0.917 175.675 176.600 -0.015 0.000 0.983 4 K CA -0.683 55.588 56.287 -0.027 0.000 0.890 4 K CB 1.268 33.756 32.500 -0.020 0.000 1.090 4 K HN 0.736 nan 8.250 nan 0.000 0.445 5 D N 1.284 121.669 120.400 -0.024 0.000 2.308 5 D HA 0.288 4.928 4.640 0.000 0.000 0.242 5 D C -1.209 175.147 176.300 0.092 0.000 1.059 5 D CA -0.601 53.419 54.000 0.033 0.000 0.830 5 D CB 1.317 42.123 40.800 0.010 0.000 1.161 5 D HN 0.245 nan 8.370 nan 0.000 0.494 6 V N 1.292 121.236 119.914 0.050 0.000 2.555 6 V HA 0.688 4.808 4.120 0.000 0.000 0.302 6 V C -0.754 175.197 176.094 -0.238 0.000 1.038 6 V CA -0.570 61.677 62.300 -0.088 0.000 0.887 6 V CB 1.657 33.342 31.823 -0.230 0.000 0.991 6 V HN 0.392 nan 8.190 nan 0.000 0.434 7 K N 4.297 124.457 120.400 -0.400 0.000 2.375 7 K HA 0.648 4.968 4.320 0.000 0.000 0.249 7 K C -1.718 174.535 176.600 -0.579 0.000 0.942 7 K CA -0.443 55.551 56.287 -0.489 0.000 0.806 7 K CB 2.555 34.646 32.500 -0.683 0.000 1.227 7 K HN 0.735 nan 8.250 nan 0.000 0.430 8 F N 0.157 120.043 119.950 -0.107 0.000 2.522 8 F HA 0.358 4.885 4.527 0.000 0.000 0.324 8 F C 1.282 177.037 175.800 -0.076 0.000 1.077 8 F CA 0.291 58.249 58.000 -0.070 0.000 0.944 8 F CB 1.909 40.884 39.000 -0.040 0.000 1.175 8 F HN 0.870 nan 8.300 nan 0.000 0.468 9 G N 2.550 111.460 108.800 0.182 0.000 2.629 9 G HA2 -0.517 3.443 3.960 0.000 0.000 0.313 9 G HA3 -0.517 3.443 3.960 0.000 0.000 0.313 9 G C 0.991 175.906 174.900 0.025 0.000 1.217 9 G CA 1.132 46.285 45.100 0.089 0.000 0.994 9 G HN 0.836 nan 8.290 nan 0.000 0.549 10 N N 0.904 119.613 118.700 0.016 0.000 2.120 10 N HA -0.068 4.672 4.740 0.000 0.000 0.188 10 N C 1.739 177.228 175.510 -0.034 0.000 1.024 10 N CA 2.406 55.452 53.050 -0.007 0.000 0.852 10 N CB -0.257 38.228 38.487 -0.004 0.000 1.003 10 N HN 0.537 nan 8.380 nan 0.000 0.424 11 D N 0.423 120.796 120.400 -0.045 0.000 2.087 11 D HA -0.166 4.474 4.640 0.000 0.000 0.192 11 D C 1.976 178.170 176.300 -0.176 0.000 0.993 11 D CA 1.697 55.638 54.000 -0.099 0.000 0.828 11 D CB -1.009 39.724 40.800 -0.111 0.000 0.968 11 D HN 0.437 nan 8.370 nan 0.000 0.448 12 A N 0.782 123.469 122.820 -0.221 0.000 1.940 12 A HA -0.300 4.020 4.320 0.000 0.000 0.221 12 A C 2.195 179.683 177.584 -0.160 0.000 1.190 12 A CA 2.151 54.016 52.037 -0.287 0.000 0.647 12 A CB -0.603 18.273 19.000 -0.206 0.000 0.821 12 A HN 0.171 nan 8.150 nan 0.000 0.457 13 R N -1.377 119.071 120.500 -0.086 0.000 2.100 13 R HA 0.050 4.391 4.340 0.000 0.000 0.220 13 R C 2.075 178.354 176.300 -0.036 0.000 1.091 13 R CA 1.008 57.082 56.100 -0.044 0.000 0.986 13 R CB -0.337 29.950 30.300 -0.021 0.000 0.888 13 R HN 0.392 nan 8.270 nan 0.000 0.444 14 V N 1.872 121.760 119.914 -0.043 0.000 2.295 14 V HA -0.280 3.840 4.120 0.000 0.000 0.246 14 V C 2.139 178.220 176.094 -0.023 0.000 1.049 14 V CA 1.674 63.957 62.300 -0.028 0.000 1.024 14 V CB -0.341 31.466 31.823 -0.028 0.000 0.648 14 V HN 0.245 nan 8.190 nan 0.000 0.447 15 K N -0.388 119.985 120.400 -0.044 0.000 2.032 15 K HA -0.212 4.109 4.320 0.000 0.000 0.209 15 K C 2.101 178.714 176.600 0.022 0.000 1.048 15 K CA 1.846 58.129 56.287 -0.006 0.000 0.927 15 K CB -0.682 31.806 32.500 -0.021 0.000 0.712 15 K HN 0.432 nan 8.250 nan 0.000 0.441 16 M N 0.634 120.236 119.600 0.002 0.000 2.267 16 M HA -0.167 4.313 4.480 0.000 0.000 0.263 16 M C 1.959 178.273 176.300 0.023 0.000 1.063 16 M CA 1.167 56.483 55.300 0.026 0.000 1.090 16 M CB 0.039 32.647 32.600 0.014 0.000 1.392 16 M HN 0.083 nan 8.290 nan 0.000 0.422 17 L N -0.034 121.196 121.223 0.012 0.000 2.127 17 L HA -0.011 4.329 4.340 0.000 0.000 0.203 17 L C 2.193 179.072 176.870 0.016 0.000 1.080 17 L CA 1.542 56.389 54.840 0.012 0.000 0.768 17 L CB -0.583 41.479 42.059 0.006 0.000 0.924 17 L HN 0.155 nan 8.230 nan 0.000 0.444 18 R N -0.256 120.253 120.500 0.017 0.000 2.103 18 R HA -0.166 4.174 4.340 0.000 0.000 0.242 18 R C 2.141 178.455 176.300 0.023 0.000 1.142 18 R CA 1.334 57.445 56.100 0.019 0.000 0.960 18 R CB -1.065 29.248 30.300 0.022 0.000 0.858 18 R HN 0.596 nan 8.270 nan 0.000 0.439 19 G N 0.641 109.460 108.800 0.031 0.000 2.480 19 G HA2 -0.263 3.697 3.960 0.000 0.000 0.216 19 G HA3 -0.263 3.697 3.960 0.000 0.000 0.216 19 G C 1.482 176.396 174.900 0.023 0.000 1.200 19 G CA 1.174 46.292 45.100 0.031 0.000 0.782 19 G HN 0.157 nan 8.290 nan 0.000 0.554 20 V N 1.536 121.463 119.914 0.022 0.000 2.250 20 V HA -0.331 3.789 4.120 0.000 0.000 0.250 20 V C 2.518 178.621 176.094 0.016 0.000 1.060 20 V CA 2.400 64.711 62.300 0.018 0.000 1.030 20 V CB -1.041 30.793 31.823 0.018 0.000 0.643 20 V HN 0.472 nan 8.190 nan 0.000 0.445 21 N N -0.045 118.664 118.700 0.014 0.000 2.036 21 N HA -0.182 4.558 4.740 0.000 0.000 0.195 21 N C 1.772 177.288 175.510 0.011 0.000 1.037 21 N CA 1.643 54.700 53.050 0.012 0.000 0.855 21 N CB -0.360 38.134 38.487 0.011 0.000 1.033 21 N HN 0.314 nan 8.380 nan 0.000 0.423 22 V N 1.753 121.674 119.914 0.011 0.000 2.252 22 V HA -0.234 3.886 4.120 0.000 0.000 0.249 22 V C 2.253 178.352 176.094 0.008 0.000 1.056 22 V CA 1.376 63.682 62.300 0.009 0.000 1.022 22 V CB -0.721 31.108 31.823 0.010 0.000 0.641 22 V HN 0.377 nan 8.190 nan 0.000 0.445 23 L N 0.944 122.173 121.223 0.010 0.000 1.955 23 L HA -0.176 4.164 4.340 0.000 0.000 0.213 23 L C 2.577 179.452 176.870 0.009 0.000 1.072 23 L CA 2.930 57.775 54.840 0.009 0.000 0.755 23 L CB -1.743 40.322 42.059 0.010 0.000 0.888 23 L HN 0.309 nan 8.230 nan 0.000 0.432 24 A N -0.246 122.581 122.820 0.011 0.000 1.892 24 A HA -0.272 4.048 4.320 0.000 0.000 0.218 24 A C 1.912 179.502 177.584 0.009 0.000 1.188 24 A CA 2.098 54.142 52.037 0.011 0.000 0.631 24 A CB -0.967 18.041 19.000 0.012 0.000 0.822 24 A HN 0.620 nan 8.150 nan 0.000 0.447 25 D N -0.088 120.317 120.400 0.008 0.000 2.182 25 D HA -0.052 4.588 4.640 0.000 0.000 0.201 25 D C 2.092 178.394 176.300 0.004 0.000 0.986 25 D CA 1.452 55.455 54.000 0.006 0.000 0.847 25 D CB -0.393 40.410 40.800 0.005 0.000 0.942 25 D HN 0.488 nan 8.370 nan 0.000 0.467 26 A N 0.319 123.141 122.820 0.003 0.000 1.929 26 A HA -0.049 4.271 4.320 0.000 0.000 0.216 26 A C 2.448 180.033 177.584 0.002 0.000 1.176 26 A CA 0.764 52.801 52.037 0.001 0.000 0.628 26 A CB -0.336 18.665 19.000 0.000 0.000 0.816 26 A HN 0.147 nan 8.150 nan 0.000 0.444 27 V N 0.047 119.963 119.914 0.004 0.000 2.407 27 V HA -0.181 3.939 4.120 0.000 0.000 0.245 27 V C 2.248 178.345 176.094 0.005 0.000 1.041 27 V CA 1.868 64.170 62.300 0.004 0.000 1.040 27 V CB -0.663 31.164 31.823 0.006 0.000 0.671 27 V HN 0.487 nan 8.190 nan 0.000 0.455 28 K N 0.623 121.027 120.400 0.007 0.000 2.189 28 K HA -0.220 4.100 4.320 0.000 0.000 0.207 28 K C 1.933 178.536 176.600 0.005 0.000 1.046 28 K CA 1.928 58.219 56.287 0.007 0.000 0.928 28 K CB -0.511 31.993 32.500 0.007 0.000 0.720 28 K HN 0.606 nan 8.250 nan 0.000 0.458 29 V N -1.108 118.808 119.914 0.003 0.000 3.141 29 V HA -0.114 4.007 4.120 0.000 0.000 0.265 29 V C 1.936 178.031 176.094 0.001 0.000 1.126 29 V CA 1.831 64.132 62.300 0.002 0.000 1.141 29 V CB -0.984 30.839 31.823 -0.000 0.000 0.743 29 V HN 0.326 nan 8.190 nan 0.000 0.492 30 T N -2.099 112.455 114.554 0.001 0.000 3.100 30 T HA 0.259 4.609 4.350 0.000 0.000 0.253 30 T C 0.555 175.256 174.700 0.002 0.000 1.118 30 T CA -0.052 62.048 62.100 -0.000 0.000 1.058 30 T CB -0.177 68.690 68.868 -0.002 0.000 0.953 30 T HN 0.381 nan 8.240 nan 0.000 0.515 31 L N 2.498 123.724 121.223 0.005 0.000 2.360 31 L HA 0.570 4.910 4.340 0.000 0.000 0.276 31 L C 0.651 177.525 176.870 0.007 0.000 1.121 31 L CA 1.480 56.325 54.840 0.007 0.000 0.845 31 L CB -0.389 41.677 42.059 0.011 0.000 1.143 31 L HN 0.651 nan 8.230 nan 0.000 0.452 32 G N 4.358 113.161 108.800 0.006 0.000 2.655 32 G HA2 -0.136 3.824 3.960 0.000 0.000 0.680 32 G HA3 -0.136 3.824 3.960 0.000 0.000 0.680 32 G C -2.333 172.566 174.900 -0.002 0.000 1.302 32 G CA -0.296 44.807 45.100 0.005 0.000 0.872 32 G HN 0.527 nan 8.290 nan 0.000 0.540 33 P HA 0.041 nan 4.420 nan 0.000 0.222 33 P C 0.919 178.212 177.300 -0.012 0.000 1.153 33 P CA 1.130 64.221 63.100 -0.015 0.000 0.798 33 P CB 0.115 31.798 31.700 -0.029 0.000 0.796 34 K N 0.623 121.020 120.400 -0.006 0.000 2.596 34 K HA 0.244 4.564 4.320 0.000 0.000 0.211 34 K C 1.036 177.636 176.600 0.000 0.000 1.046 34 K CA -0.273 56.012 56.287 -0.002 0.000 1.202 34 K CB 0.067 32.569 32.500 0.002 0.000 0.925 34 K HN 0.074 nan 8.250 nan 0.000 0.486 35 G N 1.234 110.034 108.800 -0.001 0.000 2.483 35 G HA2 0.135 4.095 3.960 0.000 0.000 0.248 35 G HA3 0.135 4.095 3.960 0.000 0.000 0.248 35 G C -0.066 174.832 174.900 -0.003 0.000 1.248 35 G CA -0.431 44.669 45.100 -0.001 0.000 0.838 35 G HN 0.223 nan 8.290 nan 0.000 0.566 36 R N 0.595 121.093 120.500 -0.003 0.000 2.843 36 R HA 0.395 4.736 4.340 0.000 0.000 0.232 36 R C -0.442 175.855 176.300 -0.006 0.000 1.305 36 R CA -1.006 55.092 56.100 -0.005 0.000 1.096 36 R CB 0.926 31.223 30.300 -0.004 0.000 1.455 36 R HN 0.471 nan 8.270 nan 0.000 0.520 37 N N -0.324 118.371 118.700 -0.007 0.000 2.459 37 N HA 0.421 5.161 4.740 0.000 0.000 0.288 37 N C -0.976 174.529 175.510 -0.010 0.000 1.186 37 N CA -0.533 52.512 53.050 -0.009 0.000 0.917 37 N CB 1.917 40.398 38.487 -0.010 0.000 1.219 37 N HN 0.112 nan 8.380 nan 0.000 0.525 38 V N 0.772 120.680 119.914 -0.011 0.000 2.715 38 V HA 0.429 4.549 4.120 0.000 0.000 0.310 38 V C -0.151 175.933 176.094 -0.017 0.000 1.054 38 V CA -0.827 61.466 62.300 -0.013 0.000 0.928 38 V CB 2.153 33.969 31.823 -0.011 0.000 1.007 38 V HN 0.299 nan 8.190 nan 0.000 0.437 39 V N 5.381 125.283 119.914 -0.021 0.000 2.398 39 V HA 0.477 4.597 4.120 0.000 0.000 0.286 39 V C -0.336 175.736 176.094 -0.036 0.000 1.026 39 V CA -0.428 61.855 62.300 -0.028 0.000 0.868 39 V CB 1.407 33.212 31.823 -0.030 0.000 0.982 39 V HN 0.611 nan 8.190 nan 0.000 0.443 40 L N 3.874 125.071 121.223 -0.044 0.000 2.295 40 L HA 0.478 4.818 4.340 0.000 0.000 0.281 40 L C 0.031 176.843 176.870 -0.097 0.000 1.018 40 L CA -0.562 54.245 54.840 -0.056 0.000 0.841 40 L CB 1.407 43.443 42.059 -0.038 0.000 1.218 40 L HN 0.533 nan 8.230 nan 0.000 0.424 41 D N 3.450 123.781 120.400 -0.116 0.000 2.390 41 D HA 0.120 4.760 4.640 0.000 0.000 0.236 41 D C -0.399 175.705 176.300 -0.326 0.000 1.189 41 D CA 0.653 54.544 54.000 -0.181 0.000 0.887 41 D CB 0.741 41.449 40.800 -0.153 0.000 1.198 41 D HN 0.360 nan 8.370 nan 0.000 0.444 42 K N 0.867 120.967 120.400 -0.500 0.000 2.729 42 K HA 0.122 4.442 4.320 0.000 0.000 0.269 42 K C 0.884 176.869 176.600 -1.025 0.000 1.065 42 K CA -0.312 55.292 56.287 -1.137 0.000 1.000 42 K CB 1.098 33.092 32.500 -0.843 0.000 1.283 42 K HN 0.360 nan 8.250 nan 0.000 0.491 43 S N 2.951 118.106 115.700 -0.908 0.000 2.392 43 S HA -0.271 4.199 4.470 0.000 0.000 0.225 43 S C 1.501 176.083 174.600 -0.029 0.000 1.041 43 S CA 1.659 59.719 58.200 -0.233 0.000 1.100 43 S CB -0.838 62.393 63.200 0.051 0.000 1.029 43 S HN 0.521 nan 8.310 nan 0.000 0.424 44 F N 2.405 122.352 119.950 -0.006 0.000 2.886 44 F HA -0.244 4.283 4.527 0.000 0.000 0.279 44 F C 1.903 177.699 175.800 -0.006 0.000 1.329 44 F CA 0.654 58.650 58.000 -0.006 0.000 1.557 44 F CB -2.143 36.854 39.000 -0.006 0.000 0.721 44 F HN 0.595 nan 8.300 nan 0.000 0.542 45 G N -0.898 107.993 108.800 0.152 0.000 2.940 45 G HA2 0.653 4.614 3.960 0.000 0.000 0.164 45 G HA3 0.653 4.614 3.960 0.000 0.000 0.164 45 G C -0.455 174.432 174.900 -0.021 0.000 1.326 45 G CA -0.217 44.917 45.100 0.056 0.000 1.020 45 G HN 0.793 nan 8.290 nan 0.000 0.586 46 A N -0.179 122.629 122.820 -0.020 0.000 2.313 46 A HA 0.684 5.004 4.320 0.000 0.000 0.261 46 A C -1.982 175.560 177.584 -0.070 0.000 1.090 46 A CA -0.718 51.294 52.037 -0.042 0.000 0.807 46 A CB -0.155 18.831 19.000 -0.024 0.000 1.055 46 A HN 0.420 nan 8.150 nan 0.000 0.492 47 P HA 0.301 nan 4.420 nan 0.000 0.274 47 P C -0.328 176.938 177.300 -0.058 0.000 1.264 47 P CA 0.083 63.129 63.100 -0.090 0.000 0.795 47 P CB 0.459 32.113 31.700 -0.076 0.000 1.064 48 T N 0.619 115.141 114.554 -0.052 0.000 2.881 48 T HA 0.560 4.910 4.350 0.000 0.000 0.290 48 T C -0.371 174.313 174.700 -0.027 0.000 1.000 48 T CA -0.254 61.828 62.100 -0.031 0.000 0.978 48 T CB 0.211 69.063 68.868 -0.026 0.000 0.997 48 T HN 0.077 nan 8.240 nan 0.000 0.443 49 I N 2.588 123.146 120.570 -0.019 0.000 2.392 49 I HA 0.609 4.779 4.170 0.000 0.000 0.295 49 I C 0.478 176.586 176.117 -0.013 0.000 0.985 49 I CA -0.169 61.121 61.300 -0.017 0.000 1.221 49 I CB 2.008 39.999 38.000 -0.016 0.000 1.366 49 I HN 0.460 nan 8.210 nan 0.000 0.467 50 T N 3.908 118.454 114.554 -0.013 0.000 2.932 50 T HA 0.315 4.665 4.350 0.000 0.000 0.318 50 T C 0.074 174.767 174.700 -0.010 0.000 1.265 50 T CA -0.614 61.480 62.100 -0.011 0.000 1.036 50 T CB 1.472 70.334 68.868 -0.010 0.000 1.209 50 T HN 0.684 nan 8.240 nan 0.000 0.484 51 K N 1.488 121.881 120.400 -0.011 0.000 2.358 51 K HA 0.226 4.546 4.320 0.000 0.000 0.197 51 K C -0.112 176.483 176.600 -0.009 0.000 1.025 51 K CA -0.008 56.273 56.287 -0.009 0.000 1.104 51 K CB 0.338 32.833 32.500 -0.010 0.000 0.855 51 K HN 0.490 nan 8.250 nan 0.000 0.531 52 D N -0.382 120.011 120.400 -0.011 0.000 2.428 52 D HA 0.159 4.799 4.640 0.000 0.000 0.221 52 D C 1.190 177.484 176.300 -0.010 0.000 1.123 52 D CA -0.115 53.877 54.000 -0.014 0.000 0.869 52 D CB 1.016 41.803 40.800 -0.021 0.000 1.032 52 D HN 0.209 nan 8.370 nan 0.000 0.506 53 G N 2.635 111.432 108.800 -0.006 0.000 2.679 53 G HA2 -0.349 3.611 3.960 0.000 0.000 0.222 53 G HA3 -0.349 3.611 3.960 0.000 0.000 0.222 53 G C 1.518 176.417 174.900 -0.002 0.000 1.164 53 G CA 1.090 46.189 45.100 -0.002 0.000 0.769 53 G HN 0.534 nan 8.290 nan 0.000 0.610 54 V N 0.071 119.982 119.914 -0.005 0.000 2.759 54 V HA -0.063 4.057 4.120 0.000 0.000 0.256 54 V C 2.796 178.887 176.094 -0.004 0.000 1.080 54 V CA 2.663 64.960 62.300 -0.006 0.000 1.101 54 V CB -0.175 31.642 31.823 -0.011 0.000 0.698 54 V HN 0.339 nan 8.190 nan 0.000 0.477 55 S N -0.534 115.163 115.700 -0.004 0.000 2.377 55 S HA -0.100 4.370 4.470 0.000 0.000 0.223 55 S C 1.851 176.452 174.600 0.003 0.000 1.030 55 S CA 1.433 59.633 58.200 0.001 0.000 0.970 55 S CB 0.066 63.265 63.200 -0.001 0.000 0.830 55 S HN 0.501 nan 8.310 nan 0.000 0.473 56 V N 2.379 122.293 119.914 -0.001 0.000 2.252 56 V HA -0.274 3.846 4.120 0.000 0.000 0.249 56 V C 2.661 178.757 176.094 0.002 0.000 1.056 56 V CA 1.923 64.222 62.300 -0.001 0.000 1.022 56 V CB -1.320 30.502 31.823 -0.002 0.000 0.641 56 V HN 0.534 nan 8.190 nan 0.000 0.445 57 A N 0.313 123.135 122.820 0.002 0.000 1.859 57 A HA -0.284 4.036 4.320 0.000 0.000 0.217 57 A C 2.265 179.852 177.584 0.005 0.000 1.198 57 A CA 2.190 54.229 52.037 0.003 0.000 0.629 57 A CB -0.677 18.323 19.000 0.001 0.000 0.830 57 A HN 0.541 nan 8.150 nan 0.000 0.446 58 R N -0.361 120.142 120.500 0.005 0.000 2.371 58 R HA -0.103 4.237 4.340 0.000 0.000 0.226 58 R C 1.141 177.452 176.300 0.018 0.000 1.132 58 R CA 1.120 57.226 56.100 0.010 0.000 1.027 58 R CB -0.171 30.136 30.300 0.012 0.000 0.848 58 R HN 0.578 nan 8.270 nan 0.000 0.479 59 E N 0.149 120.359 120.200 0.016 0.000 2.364 59 E HA 0.074 4.424 4.350 0.000 0.000 0.196 59 E C 0.554 177.162 176.600 0.014 0.000 0.990 59 E CA 0.113 56.526 56.400 0.020 0.000 0.886 59 E CB 0.401 30.109 29.700 0.013 0.000 0.866 59 E HN 0.113 nan 8.360 nan 0.000 0.493 60 I N 1.950 122.525 120.570 0.009 0.000 2.588 60 I HA 0.151 4.321 4.170 0.000 0.000 0.283 60 I C 0.386 176.507 176.117 0.007 0.000 1.119 60 I CA 0.237 61.541 61.300 0.006 0.000 1.419 60 I CB 0.279 38.282 38.000 0.006 0.000 1.394 60 I HN -0.018 nan 8.210 nan 0.000 0.562 61 E N 5.733 125.937 120.200 0.006 0.000 2.406 61 E HA 0.390 4.740 4.350 0.000 0.000 0.297 61 E C -1.946 174.655 176.600 0.002 0.000 0.917 61 E CA -0.594 55.808 56.400 0.004 0.000 0.795 61 E CB 1.606 31.309 29.700 0.005 0.000 1.285 61 E HN 0.247 nan 8.360 nan 0.000 0.400 62 L N 2.880 124.104 121.223 0.000 0.000 2.347 62 L HA 0.414 4.754 4.340 0.000 0.000 0.268 62 L C 1.438 178.305 176.870 -0.006 0.000 1.019 62 L CA 0.009 54.850 54.840 0.001 0.000 0.806 62 L CB 1.082 43.146 42.059 0.009 0.000 1.339 62 L HN 0.843 nan 8.230 nan 0.000 0.463 63 E N -0.531 119.666 120.200 -0.004 0.000 2.099 63 E HA -0.080 4.271 4.350 0.000 0.000 0.191 63 E C 0.025 176.614 176.600 -0.020 0.000 0.962 63 E CA -0.042 56.352 56.400 -0.012 0.000 0.826 63 E CB 0.304 30.000 29.700 -0.007 0.000 0.788 63 E HN 0.658 nan 8.360 nan 0.000 0.461 64 D N 1.098 121.495 120.400 -0.004 0.000 2.434 64 D HA -0.071 4.569 4.640 0.000 0.000 0.252 64 D C 0.683 176.964 176.300 -0.032 0.000 1.185 64 D CA 0.128 54.129 54.000 0.001 0.000 0.886 64 D CB 1.010 41.839 40.800 0.049 0.000 1.148 64 D HN -0.037 nan 8.370 nan 0.000 0.483 65 K N 3.491 123.813 120.400 -0.131 0.000 2.209 65 K HA -0.122 4.198 4.320 0.000 0.000 0.204 65 K C 1.699 178.165 176.600 -0.223 0.000 1.048 65 K CA 0.841 56.994 56.287 -0.223 0.000 0.940 65 K CB -0.188 32.085 32.500 -0.378 0.000 0.729 65 K HN 0.490 nan 8.250 nan 0.000 0.451 66 F N 1.633 121.571 119.950 -0.019 0.000 2.118 66 F HA -0.047 4.480 4.527 0.000 0.000 0.293 66 F C 2.294 178.085 175.800 -0.015 0.000 1.102 66 F CA 0.978 58.965 58.000 -0.022 0.000 1.247 66 F CB -0.617 38.367 39.000 -0.025 0.000 1.017 66 F HN 0.075 nan 8.300 nan 0.000 0.475 67 E N 0.002 120.309 120.200 0.178 0.000 2.085 67 E HA -0.286 4.064 4.350 0.000 0.000 0.194 67 E C 1.845 178.481 176.600 0.059 0.000 0.994 67 E CA 1.408 57.865 56.400 0.095 0.000 0.801 67 E CB -0.476 29.265 29.700 0.068 0.000 0.743 67 E HN 0.305 nan 8.360 nan 0.000 0.453 68 N N 0.869 119.590 118.700 0.035 0.000 2.094 68 N HA -0.188 4.552 4.740 0.000 0.000 0.191 68 N C 1.743 177.264 175.510 0.019 0.000 1.023 68 N CA 1.438 54.495 53.050 0.012 0.000 0.857 68 N CB -0.077 38.400 38.487 -0.016 0.000 1.013 68 N HN 0.100 nan 8.380 nan 0.000 0.426 69 M N -0.667 118.953 119.600 0.032 0.000 2.117 69 M HA -0.065 4.415 4.480 0.000 0.000 0.262 69 M C 2.123 178.448 176.300 0.041 0.000 1.065 69 M CA 1.673 56.995 55.300 0.037 0.000 1.114 69 M CB -0.629 32.011 32.600 0.067 0.000 1.361 69 M HN 0.343 nan 8.290 nan 0.000 0.408 70 G N -0.049 108.783 108.800 0.053 0.000 2.553 70 G HA2 -0.277 3.683 3.960 0.000 0.000 0.218 70 G HA3 -0.277 3.683 3.960 0.000 0.000 0.218 70 G C 1.540 176.457 174.900 0.027 0.000 1.195 70 G CA 1.255 46.378 45.100 0.039 0.000 0.779 70 G HN 0.572 nan 8.290 nan 0.000 0.577 71 A N -0.540 122.295 122.820 0.024 0.000 1.930 71 A HA -0.027 4.294 4.320 0.000 0.000 0.217 71 A C 2.344 179.936 177.584 0.013 0.000 1.175 71 A CA 1.847 53.894 52.037 0.017 0.000 0.627 71 A CB -0.310 18.699 19.000 0.015 0.000 0.815 71 A HN 0.333 nan 8.150 nan 0.000 0.443 72 Q N -1.105 118.703 119.800 0.012 0.000 2.364 72 Q HA -0.001 4.339 4.340 0.000 0.000 0.207 72 Q C 1.863 177.867 176.000 0.007 0.000 0.970 72 Q CA 1.036 56.843 55.803 0.007 0.000 0.888 72 Q CB -0.194 28.546 28.738 0.004 0.000 0.951 72 Q HN 0.780 nan 8.270 nan 0.000 0.469 73 M N -0.835 118.772 119.600 0.012 0.000 2.412 73 M HA -0.081 4.399 4.480 0.000 0.000 0.263 73 M C 2.050 178.357 176.300 0.013 0.000 1.122 73 M CA 0.617 55.925 55.300 0.013 0.000 1.179 73 M CB 0.276 32.887 32.600 0.019 0.000 1.335 73 M HN -0.007 nan 8.290 nan 0.000 0.465 74 V N -0.351 119.572 119.914 0.015 0.000 2.626 74 V HA -0.224 3.896 4.120 0.000 0.000 0.252 74 V C 2.071 178.171 176.094 0.010 0.000 1.067 74 V CA 1.748 64.058 62.300 0.017 0.000 1.081 74 V CB -1.451 30.383 31.823 0.018 0.000 0.686 74 V HN 0.514 nan 8.190 nan 0.000 0.468 75 K N 0.966 121.370 120.400 0.005 0.000 2.360 75 K HA -0.259 4.061 4.320 0.000 0.000 0.201 75 K C 2.040 178.632 176.600 -0.012 0.000 1.046 75 K CA 1.923 58.209 56.287 -0.001 0.000 0.940 75 K CB -0.126 32.374 32.500 -0.000 0.000 0.748 75 K HN 0.670 nan 8.250 nan 0.000 0.465 76 E N 0.626 120.818 120.200 -0.014 0.000 2.299 76 E HA -0.100 4.251 4.350 0.000 0.000 0.193 76 E C 1.890 178.457 176.600 -0.056 0.000 0.998 76 E CA 0.611 56.990 56.400 -0.035 0.000 0.851 76 E CB 0.205 29.888 29.700 -0.028 0.000 0.795 76 E HN 0.311 nan 8.360 nan 0.000 0.492 77 V N -0.336 119.566 119.914 -0.019 0.000 2.358 77 V HA -0.111 4.009 4.120 0.000 0.000 0.246 77 V C 2.156 178.233 176.094 -0.028 0.000 1.047 77 V CA 1.905 64.204 62.300 -0.002 0.000 1.035 77 V CB -0.398 31.460 31.823 0.059 0.000 0.658 77 V HN 0.257 nan 8.190 nan 0.000 0.452 78 A N -0.243 122.568 122.820 -0.014 0.000 1.929 78 A HA -0.115 4.205 4.320 0.000 0.000 0.216 78 A C 2.550 180.113 177.584 -0.035 0.000 1.176 78 A CA 2.105 54.137 52.037 -0.009 0.000 0.628 78 A CB -0.965 18.035 19.000 -0.001 0.000 0.816 78 A HN 0.664 nan 8.150 nan 0.000 0.444 79 S N -0.747 114.921 115.700 -0.053 0.000 2.338 79 S HA -0.159 4.311 4.470 0.000 0.000 0.218 79 S C 2.247 176.774 174.600 -0.121 0.000 1.032 79 S CA 1.588 59.748 58.200 -0.067 0.000 0.999 79 S CB -0.297 62.868 63.200 -0.060 0.000 0.905 79 S HN 0.387 nan 8.310 nan 0.000 0.439 80 K N 1.555 121.826 120.400 -0.215 0.000 2.015 80 K HA -0.081 4.239 4.320 0.000 0.000 0.216 80 K C 2.314 178.646 176.600 -0.446 0.000 1.052 80 K CA 1.646 57.672 56.287 -0.435 0.000 0.937 80 K CB -1.382 30.653 32.500 -0.775 0.000 0.719 80 K HN 0.403 nan 8.250 nan 0.000 0.446 81 A N 2.078 124.709 122.820 -0.316 0.000 1.894 81 A HA -0.318 4.002 4.320 0.000 0.000 0.220 81 A C 2.126 179.728 177.584 0.030 0.000 1.237 81 A CA 2.501 54.552 52.037 0.023 0.000 0.660 81 A CB -1.107 17.954 19.000 0.102 0.000 0.835 81 A HN 0.621 nan 8.150 nan 0.000 0.461 82 N N -0.478 118.216 118.700 -0.009 0.000 2.149 82 N HA -0.192 4.548 4.740 0.000 0.000 0.188 82 N C 0.832 176.365 175.510 0.039 0.000 1.019 82 N CA 1.755 54.814 53.050 0.015 0.000 0.857 82 N CB -0.293 38.189 38.487 -0.007 0.000 0.997 82 N HN 0.528 nan 8.380 nan 0.000 0.426 83 D N -0.059 120.340 120.400 -0.003 0.000 2.277 83 D HA -0.013 4.627 4.640 0.000 0.000 0.208 83 D C 1.464 177.793 176.300 0.049 0.000 0.962 83 D CA 0.607 54.616 54.000 0.016 0.000 0.865 83 D CB 0.107 40.889 40.800 -0.029 0.000 0.939 83 D HN 0.400 nan 8.370 nan 0.000 0.510 84 A N 0.847 123.708 122.820 0.068 0.000 1.944 84 A HA 0.440 4.760 4.320 0.000 0.000 0.209 84 A C 2.144 179.802 177.584 0.123 0.000 1.328 84 A CA 0.964 53.070 52.037 0.116 0.000 0.693 84 A CB -0.486 18.647 19.000 0.222 0.000 0.994 84 A HN 0.162 nan 8.150 nan 0.000 0.485 85 A N -1.504 121.405 122.820 0.148 0.000 1.823 85 A HA 0.369 4.689 4.320 0.000 0.000 0.214 85 A C 2.072 179.763 177.584 0.177 0.000 1.225 85 A CA 2.270 54.389 52.037 0.137 0.000 0.604 85 A CB -1.055 18.025 19.000 0.133 0.000 0.878 85 A HN 1.943 nan 8.150 nan 0.000 0.450 86 G N -2.269 106.637 108.800 0.177 0.000 2.211 86 G HA2 -0.040 3.921 3.960 0.000 0.000 0.201 86 G HA3 -0.040 3.921 3.960 0.000 0.000 0.201 86 G C -0.184 174.735 174.900 0.032 0.000 0.997 86 G CA 0.594 45.805 45.100 0.185 0.000 0.652 86 G HN 0.825 nan 8.290 nan 0.000 0.500 87 D N -2.266 118.167 120.400 0.054 0.000 2.713 87 D HA 0.544 5.184 4.640 0.000 0.000 0.306 87 D C 1.128 177.455 176.300 0.044 0.000 1.299 87 D CA 1.055 55.072 54.000 0.029 0.000 0.823 87 D CB 0.592 41.412 40.800 0.033 0.000 1.353 87 D HN 1.337 nan 8.370 nan 0.000 0.447 88 G N -0.265 108.556 108.800 0.034 0.000 2.168 88 G HA2 -0.348 3.613 3.960 0.000 0.000 0.263 88 G HA3 -0.348 3.613 3.960 0.000 0.000 0.263 88 G C 1.014 175.941 174.900 0.045 0.000 0.977 88 G CA 1.981 47.106 45.100 0.041 0.000 0.659 88 G HN 0.760 nan 8.290 nan 0.000 0.533 89 T N -1.980 112.594 114.554 0.034 0.000 2.699 89 T HA -0.164 4.186 4.350 0.000 0.000 0.268 89 T C 2.238 176.952 174.700 0.024 0.000 1.036 89 T CA 2.513 64.629 62.100 0.027 0.000 1.147 89 T CB -0.759 68.115 68.868 0.010 0.000 0.862 89 T HN 0.409 nan 8.240 nan 0.000 0.446 90 T N 1.831 116.396 114.554 0.019 0.000 2.674 90 T HA -0.107 4.243 4.350 0.000 0.000 0.265 90 T C 2.287 177.001 174.700 0.023 0.000 1.039 90 T CA 1.802 63.912 62.100 0.017 0.000 1.150 90 T CB -1.072 67.803 68.868 0.012 0.000 0.864 90 T HN 0.474 nan 8.240 nan 0.000 0.427 91 T N 2.177 116.747 114.554 0.027 0.000 2.570 91 T HA -0.179 4.171 4.350 0.000 0.000 0.266 91 T C 2.357 177.079 174.700 0.036 0.000 1.071 91 T CA 1.663 63.781 62.100 0.030 0.000 1.172 91 T CB -0.884 68.002 68.868 0.031 0.000 0.864 91 T HN 0.444 nan 8.240 nan 0.000 0.421 92 A N 1.003 123.852 122.820 0.049 0.000 1.929 92 A HA -0.274 4.046 4.320 0.000 0.000 0.221 92 A C 2.542 180.157 177.584 0.052 0.000 1.211 92 A CA 2.809 54.885 52.037 0.065 0.000 0.657 92 A CB -1.569 17.486 19.000 0.093 0.000 0.827 92 A HN 0.543 nan 8.150 nan 0.000 0.462 93 T N -0.491 114.086 114.554 0.039 0.000 2.720 93 T HA -0.115 4.236 4.350 0.000 0.000 0.268 93 T C 1.846 176.562 174.700 0.027 0.000 1.037 93 T CA 1.697 63.815 62.100 0.030 0.000 1.144 93 T CB -0.453 68.428 68.868 0.021 0.000 0.864 93 T HN 0.246 nan 8.240 nan 0.000 0.444 94 V N 1.167 121.096 119.914 0.025 0.000 2.626 94 V HA -0.040 4.080 4.120 0.000 0.000 0.252 94 V C 2.377 178.484 176.094 0.022 0.000 1.067 94 V CA 1.167 63.480 62.300 0.021 0.000 1.081 94 V CB -0.712 31.123 31.823 0.019 0.000 0.686 94 V HN 0.412 nan 8.190 nan 0.000 0.468 95 L N 0.244 121.483 121.223 0.027 0.000 2.109 95 L HA -0.061 4.279 4.340 0.000 0.000 0.207 95 L C 2.719 179.606 176.870 0.027 0.000 1.086 95 L CA 1.399 56.255 54.840 0.026 0.000 0.760 95 L CB -0.635 41.442 42.059 0.030 0.000 0.910 95 L HN 0.343 nan 8.230 nan 0.000 0.437 96 A N 0.170 123.009 122.820 0.033 0.000 1.969 96 A HA -0.256 4.064 4.320 0.000 0.000 0.218 96 A C 2.187 179.786 177.584 0.025 0.000 1.169 96 A CA 1.716 53.773 52.037 0.033 0.000 0.635 96 A CB -0.470 18.553 19.000 0.038 0.000 0.810 96 A HN 0.562 nan 8.150 nan 0.000 0.445 97 Q N -0.486 119.327 119.800 0.022 0.000 2.297 97 Q HA 0.210 4.550 4.340 0.000 0.000 0.204 97 Q C 1.708 177.718 176.000 0.016 0.000 0.962 97 Q CA 1.657 57.471 55.803 0.018 0.000 0.879 97 Q CB -0.353 28.395 28.738 0.016 0.000 0.947 97 Q HN 0.440 nan 8.270 nan 0.000 0.462 98 A N 0.810 123.640 122.820 0.016 0.000 1.887 98 A HA 0.085 4.405 4.320 0.000 0.000 0.212 98 A C 2.074 179.667 177.584 0.014 0.000 1.198 98 A CA 0.851 52.896 52.037 0.014 0.000 0.628 98 A CB -0.473 18.536 19.000 0.014 0.000 0.847 98 A HN 0.403 nan 8.150 nan 0.000 0.449 99 I N -0.007 120.573 120.570 0.016 0.000 2.163 99 I HA -0.289 3.881 4.170 0.000 0.000 0.243 99 I C 2.314 178.439 176.117 0.014 0.000 1.085 99 I CA 1.490 62.800 61.300 0.015 0.000 1.347 99 I CB -0.411 37.600 38.000 0.018 0.000 1.044 99 I HN 0.287 nan 8.210 nan 0.000 0.408 100 I N 0.380 120.960 120.570 0.016 0.000 2.208 100 I HA -0.302 3.868 4.170 0.000 0.000 0.245 100 I C 2.568 178.692 176.117 0.012 0.000 1.097 100 I CA 1.705 63.014 61.300 0.015 0.000 1.363 100 I CB -0.559 37.451 38.000 0.016 0.000 1.051 100 I HN 0.264 nan 8.210 nan 0.000 0.413 101 T N -0.185 114.375 114.554 0.011 0.000 2.708 101 T HA -0.158 4.192 4.350 0.000 0.000 0.266 101 T C 1.857 176.562 174.700 0.008 0.000 1.037 101 T CA 1.210 63.315 62.100 0.009 0.000 1.146 101 T CB -0.137 68.736 68.868 0.008 0.000 0.865 101 T HN 0.235 nan 8.240 nan 0.000 0.435 102 E N 0.655 120.860 120.200 0.008 0.000 2.076 102 E HA 0.056 4.407 4.350 0.000 0.000 0.190 102 E C 2.475 179.079 176.600 0.007 0.000 0.979 102 E CA 0.926 57.331 56.400 0.007 0.000 0.807 102 E CB -1.002 28.703 29.700 0.008 0.000 0.761 102 E HN 0.497 nan 8.360 nan 0.000 0.454 103 G N 1.927 110.732 108.800 0.009 0.000 2.679 103 G HA2 -0.286 3.674 3.960 0.000 0.000 0.217 103 G HA3 -0.286 3.674 3.960 0.000 0.000 0.217 103 G C 1.672 176.577 174.900 0.008 0.000 1.267 103 G CA 1.291 46.396 45.100 0.009 0.000 0.799 103 G HN 0.264 nan 8.290 nan 0.000 0.606 104 L N 0.390 121.617 121.223 0.008 0.000 2.137 104 L HA -0.152 4.188 4.340 0.000 0.000 0.213 104 L C 2.821 179.694 176.870 0.004 0.000 1.085 104 L CA 1.703 56.547 54.840 0.006 0.000 0.760 104 L CB -0.407 41.655 42.059 0.005 0.000 0.893 104 L HN 0.280 nan 8.230 nan 0.000 0.434 105 K N 0.300 120.702 120.400 0.004 0.000 2.148 105 K HA -0.137 4.183 4.320 0.000 0.000 0.204 105 K C 2.143 178.745 176.600 0.003 0.000 1.050 105 K CA 1.113 57.402 56.287 0.003 0.000 0.942 105 K CB 0.035 32.537 32.500 0.003 0.000 0.724 105 K HN 0.297 nan 8.250 nan 0.000 0.446 106 A N 0.511 123.333 122.820 0.004 0.000 1.898 106 A HA -0.055 4.265 4.320 0.000 0.000 0.214 106 A C 2.148 179.734 177.584 0.004 0.000 1.183 106 A CA 1.074 53.113 52.037 0.004 0.000 0.622 106 A CB -0.494 18.509 19.000 0.005 0.000 0.824 106 A HN 0.126 nan 8.150 nan 0.000 0.444 107 V N 0.126 120.043 119.914 0.005 0.000 2.380 107 V HA -0.285 3.835 4.120 0.000 0.000 0.251 107 V C 2.863 178.959 176.094 0.004 0.000 1.063 107 V CA 1.951 64.254 62.300 0.005 0.000 1.055 107 V CB -1.107 30.720 31.823 0.007 0.000 0.657 107 V HN 0.593 nan 8.190 nan 0.000 0.455 108 A N -0.581 122.241 122.820 0.003 0.000 2.206 108 A HA 0.301 4.621 4.320 0.000 0.000 0.211 108 A C 2.019 179.604 177.584 0.001 0.000 1.158 108 A CA 1.091 53.129 52.037 0.002 0.000 0.761 108 A CB -0.327 18.673 19.000 0.001 0.000 0.801 108 A HN 0.564 nan 8.150 nan 0.000 0.473 109 A N -1.702 121.119 122.820 0.001 0.000 2.379 109 A HA 0.460 4.780 4.320 0.000 0.000 0.236 109 A C 1.616 179.200 177.584 0.001 0.000 1.272 109 A CA 0.933 52.970 52.037 0.001 0.000 0.886 109 A CB -0.802 18.199 19.000 0.001 0.000 0.962 109 A HN 1.677 nan 8.150 nan 0.000 0.504 110 G N -1.446 107.355 108.800 0.001 0.000 2.176 110 G HA2 -0.282 3.678 3.960 0.000 0.000 0.253 110 G HA3 -0.282 3.678 3.960 0.000 0.000 0.253 110 G C 0.269 175.170 174.900 0.001 0.000 0.979 110 G CA 0.423 45.523 45.100 0.001 0.000 0.641 110 G HN 0.401 nan 8.290 nan 0.000 0.530 111 M N 0.907 120.509 119.600 0.002 0.000 2.252 111 M HA 0.279 4.759 4.480 0.000 0.000 0.321 111 M C 0.744 177.046 176.300 0.004 0.000 1.070 111 M CA 0.231 55.533 55.300 0.003 0.000 1.143 111 M CB 0.292 32.895 32.600 0.004 0.000 1.498 111 M HN 0.363 nan 8.290 nan 0.000 0.445 112 N N 3.389 122.092 118.700 0.005 0.000 2.420 112 N HA 0.303 5.043 4.740 0.000 0.000 0.249 112 N C -2.365 173.150 175.510 0.007 0.000 1.033 112 N CA -1.840 51.214 53.050 0.006 0.000 0.944 112 N CB 1.060 39.550 38.487 0.005 0.000 1.113 112 N HN 0.197 nan 8.380 nan 0.000 0.502 113 P HA -0.164 nan 4.420 nan 0.000 0.215 113 P C 1.473 178.780 177.300 0.011 0.000 1.157 113 P CA 1.018 64.124 63.100 0.011 0.000 0.868 113 P CB 0.111 31.819 31.700 0.013 0.000 0.788 114 M N -0.522 119.085 119.600 0.012 0.000 2.260 114 M HA -0.161 4.319 4.480 0.000 0.000 0.261 114 M C 1.155 177.461 176.300 0.010 0.000 1.066 114 M CA 1.581 56.888 55.300 0.011 0.000 1.082 114 M CB -1.555 31.052 32.600 0.011 0.000 1.388 114 M HN -0.092 nan 8.290 nan 0.000 0.419 115 D N -0.951 119.454 120.400 0.008 0.000 2.216 115 D HA 0.038 4.679 4.640 0.000 0.000 0.208 115 D C 2.164 178.469 176.300 0.007 0.000 0.960 115 D CA 0.615 54.619 54.000 0.007 0.000 0.861 115 D CB 0.003 40.806 40.800 0.006 0.000 0.985 115 D HN 0.308 nan 8.370 nan 0.000 0.493 116 L N 0.954 122.182 121.223 0.008 0.000 2.042 116 L HA -0.207 4.133 4.340 0.000 0.000 0.210 116 L C 2.504 179.379 176.870 0.009 0.000 1.076 116 L CA 1.207 56.051 54.840 0.008 0.000 0.749 116 L CB -0.318 41.746 42.059 0.008 0.000 0.893 116 L HN 0.007 nan 8.230 nan 0.000 0.432 117 K N 0.255 120.661 120.400 0.010 0.000 1.987 117 K HA -0.233 4.087 4.320 0.000 0.000 0.216 117 K C 2.289 178.895 176.600 0.009 0.000 1.051 117 K CA 1.676 57.970 56.287 0.011 0.000 0.942 117 K CB -0.092 32.416 32.500 0.013 0.000 0.722 117 K HN 0.151 nan 8.250 nan 0.000 0.444 118 R N -0.405 120.100 120.500 0.008 0.000 2.119 118 R HA -0.161 4.179 4.340 0.000 0.000 0.246 118 R C 2.419 178.722 176.300 0.005 0.000 1.146 118 R CA 1.523 57.627 56.100 0.007 0.000 0.962 118 R CB -0.718 29.586 30.300 0.006 0.000 0.863 118 R HN 0.479 nan 8.270 nan 0.000 0.442 119 G N 1.451 110.254 108.800 0.005 0.000 2.453 119 G HA2 -0.243 3.717 3.960 0.000 0.000 0.215 119 G HA3 -0.243 3.717 3.960 0.000 0.000 0.215 119 G C 1.500 176.402 174.900 0.004 0.000 1.201 119 G CA 0.699 45.802 45.100 0.005 0.000 0.784 119 G HN 0.162 nan 8.290 nan 0.000 0.545 120 I N 1.335 121.908 120.570 0.006 0.000 2.113 120 I HA -0.271 3.899 4.170 0.000 0.000 0.242 120 I C 2.385 178.504 176.117 0.004 0.000 1.057 120 I CA 1.886 63.190 61.300 0.006 0.000 1.314 120 I CB -0.136 37.870 38.000 0.009 0.000 1.022 120 I HN 0.137 nan 8.210 nan 0.000 0.408 121 D N 0.147 120.550 120.400 0.004 0.000 2.149 121 D HA -0.184 4.456 4.640 0.000 0.000 0.201 121 D C 2.051 178.350 176.300 -0.001 0.000 0.972 121 D CA 1.023 55.024 54.000 0.002 0.000 0.835 121 D CB -0.259 40.543 40.800 0.004 0.000 0.966 121 D HN 0.372 nan 8.370 nan 0.000 0.476 122 K N 1.122 121.522 120.400 0.000 0.000 2.057 122 K HA -0.104 4.216 4.320 0.000 0.000 0.207 122 K C 2.065 178.663 176.600 -0.002 0.000 1.049 122 K CA 1.239 57.526 56.287 -0.001 0.000 0.931 122 K CB -0.005 32.496 32.500 0.000 0.000 0.714 122 K HN -0.009 nan 8.250 nan 0.000 0.440 123 A N 0.773 123.592 122.820 -0.001 0.000 1.883 123 A HA -0.138 4.182 4.320 0.000 0.000 0.217 123 A C 2.270 179.852 177.584 -0.004 0.000 1.186 123 A CA 1.804 53.840 52.037 -0.001 0.000 0.624 123 A CB -0.841 18.160 19.000 0.001 0.000 0.822 123 A HN 0.188 nan 8.150 nan 0.000 0.444 124 V N 0.096 120.007 119.914 -0.006 0.000 2.392 124 V HA -0.249 3.872 4.120 0.000 0.000 0.249 124 V C 2.741 178.825 176.094 -0.017 0.000 1.059 124 V CA 2.501 64.793 62.300 -0.012 0.000 1.051 124 V CB -1.164 30.650 31.823 -0.015 0.000 0.658 124 V HN 0.673 nan 8.190 nan 0.000 0.455 125 T N 0.104 114.650 114.554 -0.014 0.000 2.833 125 T HA -0.134 4.216 4.350 0.000 0.000 0.269 125 T C 1.961 176.653 174.700 -0.013 0.000 1.054 125 T CA 1.422 63.512 62.100 -0.015 0.000 1.135 125 T CB -0.321 68.541 68.868 -0.011 0.000 0.869 125 T HN 0.585 nan 8.240 nan 0.000 0.466 126 A N 1.434 124.249 122.820 -0.009 0.000 1.874 126 A HA 0.372 4.692 4.320 0.000 0.000 0.214 126 A C 2.685 180.265 177.584 -0.007 0.000 1.189 126 A CA 1.386 53.419 52.037 -0.006 0.000 0.615 126 A CB -1.113 17.885 19.000 -0.003 0.000 0.830 126 A HN 0.477 nan 8.150 nan 0.000 0.443 127 A N -0.375 122.441 122.820 -0.008 0.000 1.908 127 A HA -0.044 4.276 4.320 0.000 0.000 0.218 127 A C 2.219 179.796 177.584 -0.011 0.000 1.181 127 A CA 1.913 53.946 52.037 -0.007 0.000 0.627 127 A CB -0.951 18.045 19.000 -0.007 0.000 0.818 127 A HN 0.383 nan 8.150 nan 0.000 0.445 128 V N -0.101 119.802 119.914 -0.018 0.000 2.343 128 V HA -0.210 3.910 4.120 0.000 0.000 0.247 128 V C 2.596 178.680 176.094 -0.016 0.000 1.051 128 V CA 2.170 64.457 62.300 -0.023 0.000 1.036 128 V CB -0.752 31.050 31.823 -0.035 0.000 0.654 128 V HN 0.484 nan 8.190 nan 0.000 0.451 129 E N 0.016 120.208 120.200 -0.013 0.000 2.147 129 E HA -0.217 4.133 4.350 0.000 0.000 0.199 129 E C 2.294 178.891 176.600 -0.005 0.000 1.005 129 E CA 1.306 57.701 56.400 -0.008 0.000 0.810 129 E CB -0.214 29.482 29.700 -0.006 0.000 0.736 129 E HN 0.543 nan 8.360 nan 0.000 0.460 130 E N -0.214 119.984 120.200 -0.004 0.000 2.076 130 E HA -0.023 4.327 4.350 0.000 0.000 0.190 130 E C 2.406 179.007 176.600 0.001 0.000 0.979 130 E CA 0.179 56.579 56.400 0.000 0.000 0.807 130 E CB -0.240 29.461 29.700 0.002 0.000 0.761 130 E HN 0.284 nan 8.360 nan 0.000 0.454 131 L N 0.869 122.092 121.223 -0.001 0.000 2.081 131 L HA -0.241 4.099 4.340 0.000 0.000 0.212 131 L C 2.310 179.180 176.870 -0.000 0.000 1.080 131 L CA 1.203 56.043 54.840 0.000 0.000 0.754 131 L CB -0.362 41.694 42.059 -0.004 0.000 0.893 131 L HN -0.001 nan 8.230 nan 0.000 0.433 132 K N -0.085 120.313 120.400 -0.003 0.000 2.280 132 K HA -0.108 4.212 4.320 0.000 0.000 0.202 132 K C 1.990 178.591 176.600 0.001 0.000 1.047 132 K CA 1.280 57.566 56.287 -0.002 0.000 0.942 132 K CB -0.421 32.077 32.500 -0.004 0.000 0.739 132 K HN 0.338 nan 8.250 nan 0.000 0.457 133 A N -0.406 122.415 122.820 0.002 0.000 1.903 133 A HA -0.005 4.315 4.320 0.000 0.000 0.213 133 A C 1.928 179.516 177.584 0.006 0.000 1.185 133 A CA 0.776 52.815 52.037 0.004 0.000 0.628 133 A CB -0.346 18.656 19.000 0.004 0.000 0.830 133 A HN 0.168 nan 8.150 nan 0.000 0.446 134 L N 0.356 121.584 121.223 0.008 0.000 2.217 134 L HA 0.021 4.361 4.340 0.000 0.000 0.211 134 L C 1.666 178.543 176.870 0.011 0.000 1.107 134 L CA 1.160 56.006 54.840 0.011 0.000 0.783 134 L CB -0.331 41.736 42.059 0.013 0.000 0.919 134 L HN 0.371 nan 8.230 nan 0.000 0.442 135 S N 0.043 115.748 115.700 0.008 0.000 2.525 135 S HA 0.284 4.754 4.470 0.000 0.000 0.285 135 S C -0.166 174.439 174.600 0.008 0.000 1.283 135 S CA -0.590 57.615 58.200 0.008 0.000 1.072 135 S CB 0.219 63.423 63.200 0.006 0.000 0.867 135 S HN 0.127 nan 8.310 nan 0.000 0.492 136 V N 2.943 122.862 119.914 0.009 0.000 2.667 136 V HA 0.720 4.841 4.120 0.000 0.000 0.308 136 V C -2.628 173.471 176.094 0.008 0.000 1.048 136 V CA -2.732 59.573 62.300 0.009 0.000 0.928 136 V CB 0.691 32.520 31.823 0.010 0.000 1.004 136 V HN 0.691 nan 8.190 nan 0.000 0.444 137 P HA 0.186 nan 4.420 nan 0.000 0.269 137 P C -0.571 176.733 177.300 0.007 0.000 1.211 137 P CA -0.029 63.074 63.100 0.006 0.000 0.781 137 P CB 0.301 32.004 31.700 0.005 0.000 0.877 138 C N 1.709 121.013 119.300 0.007 0.000 2.571 138 C HA 0.609 5.069 4.460 0.000 0.000 0.343 138 C C 0.960 175.953 174.990 0.006 0.000 1.082 138 C CA 0.567 59.590 59.018 0.007 0.000 1.339 138 C CB -0.453 27.292 27.740 0.009 0.000 1.893 138 C HN 0.693 nan 8.230 nan 0.000 0.445 139 S N 2.337 118.040 115.700 0.005 0.000 3.019 139 S HA 0.200 4.670 4.470 0.000 0.000 0.258 139 S C 0.031 174.634 174.600 0.004 0.000 1.082 139 S CA 0.392 58.595 58.200 0.004 0.000 0.836 139 S CB -0.445 62.757 63.200 0.003 0.000 0.834 139 S HN 0.896 nan 8.310 nan 0.000 0.457 140 D N 2.611 123.014 120.400 0.004 0.000 2.455 140 D HA 0.231 4.871 4.640 0.000 0.000 0.241 140 D C 0.808 177.111 176.300 0.004 0.000 1.138 140 D CA 0.236 54.238 54.000 0.004 0.000 0.877 140 D CB 1.085 41.887 40.800 0.004 0.000 1.187 140 D HN 0.125 nan 8.370 nan 0.000 0.451 141 S N 2.048 117.751 115.700 0.004 0.000 2.393 141 S HA -0.328 4.142 4.470 0.000 0.000 0.234 141 S C 1.605 176.208 174.600 0.005 0.000 1.064 141 S CA 2.150 60.352 58.200 0.004 0.000 1.088 141 S CB -0.345 62.857 63.200 0.004 0.000 0.939 141 S HN 0.775 nan 8.310 nan 0.000 0.448 142 K N 1.114 121.517 120.400 0.004 0.000 2.032 142 K HA -0.082 4.238 4.320 0.000 0.000 0.209 142 K C 2.158 178.761 176.600 0.004 0.000 1.048 142 K CA 1.381 57.670 56.287 0.004 0.000 0.927 142 K CB -0.405 32.097 32.500 0.003 0.000 0.712 142 K HN 0.307 nan 8.250 nan 0.000 0.441 143 A N 0.955 123.778 122.820 0.005 0.000 1.930 143 A HA -0.063 4.257 4.320 0.000 0.000 0.217 143 A C 2.106 179.695 177.584 0.007 0.000 1.175 143 A CA 1.233 53.273 52.037 0.006 0.000 0.627 143 A CB -0.462 18.542 19.000 0.007 0.000 0.815 143 A HN 0.381 nan 8.150 nan 0.000 0.443 144 I N -0.358 120.217 120.570 0.008 0.000 2.202 144 I HA -0.257 3.913 4.170 0.000 0.000 0.242 144 I C 2.964 179.087 176.117 0.009 0.000 1.091 144 I CA 0.969 62.275 61.300 0.009 0.000 1.368 144 I CB -0.246 37.759 38.000 0.009 0.000 1.058 144 I HN 0.358 nan 8.210 nan 0.000 0.410 145 A N -0.024 122.801 122.820 0.007 0.000 1.948 145 A HA -0.306 4.014 4.320 0.000 0.000 0.220 145 A C 2.197 179.784 177.584 0.005 0.000 1.177 145 A CA 1.821 53.862 52.037 0.006 0.000 0.636 145 A CB -0.635 18.368 19.000 0.004 0.000 0.815 145 A HN 0.482 nan 8.150 nan 0.000 0.449 146 Q N -0.614 119.188 119.800 0.004 0.000 2.050 146 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 146 Q C 2.299 178.301 176.000 0.005 0.000 0.980 146 Q CA 2.107 57.911 55.803 0.002 0.000 0.840 146 Q CB -0.507 28.232 28.738 0.002 0.000 0.898 146 Q HN 0.776 nan 8.270 nan 0.000 0.424 147 V N -1.859 118.060 119.914 0.009 0.000 2.343 147 V HA -0.116 4.004 4.120 0.000 0.000 0.247 147 V C 2.000 178.102 176.094 0.013 0.000 1.051 147 V CA 2.139 64.446 62.300 0.012 0.000 1.036 147 V CB -1.625 30.207 31.823 0.016 0.000 0.654 147 V HN 0.373 nan 8.190 nan 0.000 0.451 148 G N 0.156 108.964 108.800 0.014 0.000 2.574 148 G HA2 -0.334 3.626 3.960 0.000 0.000 0.220 148 G HA3 -0.334 3.626 3.960 0.000 0.000 0.220 148 G C 1.600 176.505 174.900 0.008 0.000 1.173 148 G CA 2.074 47.182 45.100 0.014 0.000 0.772 148 G HN 0.521 nan 8.290 nan 0.000 0.585 149 T N 1.009 115.565 114.554 0.004 0.000 2.684 149 T HA -0.101 4.249 4.350 0.000 0.000 0.267 149 T C 2.406 177.104 174.700 -0.003 0.000 1.036 149 T CA 1.310 63.409 62.100 -0.001 0.000 1.148 149 T CB -0.171 68.695 68.868 -0.004 0.000 0.863 149 T HN 0.174 nan 8.240 nan 0.000 0.436 150 I N 0.721 121.289 120.570 -0.003 0.000 2.439 150 I HA -0.074 4.096 4.170 0.000 0.000 0.251 150 I C 2.599 178.715 176.117 -0.003 0.000 1.139 150 I CA 0.745 62.041 61.300 -0.005 0.000 1.438 150 I CB -0.334 37.663 38.000 -0.005 0.000 1.085 150 I HN 0.156 nan 8.210 nan 0.000 0.427 151 S N 0.409 116.110 115.700 0.002 0.000 2.383 151 S HA -0.010 4.460 4.470 0.000 0.000 0.227 151 S C 1.775 176.373 174.600 -0.003 0.000 1.026 151 S CA 1.003 59.205 58.200 0.003 0.000 0.981 151 S CB -0.209 62.997 63.200 0.011 0.000 0.818 151 S HN 0.393 nan 8.310 nan 0.000 0.472 152 A N 1.378 124.197 122.820 -0.003 0.000 2.840 152 A HA 0.369 4.689 4.320 0.000 0.000 0.269 152 A C 0.512 178.091 177.584 -0.008 0.000 1.439 152 A CA -0.187 51.847 52.037 -0.006 0.000 1.083 152 A CB -1.459 17.539 19.000 -0.003 0.000 1.019 152 A HN 0.751 nan 8.150 nan 0.000 0.607 153 N N 0.448 119.143 118.700 -0.009 0.000 2.699 153 N HA -0.229 4.511 4.740 0.000 0.000 0.256 153 N C -0.036 175.466 175.510 -0.013 0.000 0.993 153 N CA 0.516 53.560 53.050 -0.011 0.000 0.759 153 N CB -0.683 37.797 38.487 -0.011 0.000 0.906 153 N HN 0.503 nan 8.380 nan 0.000 0.541 154 S N -0.537 115.155 115.700 -0.013 0.000 3.748 154 S HA -0.192 4.278 4.470 0.000 0.000 0.329 154 S C -0.667 173.925 174.600 -0.014 0.000 1.104 154 S CA 0.910 59.100 58.200 -0.017 0.000 0.954 154 S CB -0.675 62.511 63.200 -0.023 0.000 0.910 154 S HN 0.694 nan 8.310 nan 0.000 0.494 155 D N 0.967 121.361 120.400 -0.010 0.000 2.472 155 D HA 0.301 4.941 4.640 0.000 0.000 0.234 155 D C 1.076 177.373 176.300 -0.006 0.000 1.088 155 D CA -0.485 53.510 54.000 -0.008 0.000 0.882 155 D CB 0.615 41.411 40.800 -0.007 0.000 1.037 155 D HN 0.376 nan 8.370 nan 0.000 0.520 156 E N 1.088 121.284 120.200 -0.007 0.000 2.160 156 E HA -0.145 4.205 4.350 0.000 0.000 0.195 156 E C 1.206 177.804 176.600 -0.003 0.000 0.991 156 E CA 1.278 57.675 56.400 -0.005 0.000 0.810 156 E CB 0.339 30.036 29.700 -0.006 0.000 0.742 156 E HN 0.511 nan 8.360 nan 0.000 0.466 157 T N 0.474 115.026 114.554 -0.002 0.000 2.867 157 T HA -0.094 4.256 4.350 0.000 0.000 0.268 157 T C 2.113 176.814 174.700 0.001 0.000 1.057 157 T CA 0.952 63.052 62.100 -0.001 0.000 1.136 157 T CB -0.104 68.764 68.868 -0.001 0.000 0.874 157 T HN 0.003 nan 8.240 nan 0.000 0.466 158 V N 1.470 121.385 119.914 0.001 0.000 2.453 158 V HA 0.022 4.142 4.120 0.000 0.000 0.247 158 V C 2.872 178.969 176.094 0.006 0.000 1.048 158 V CA 1.652 63.954 62.300 0.004 0.000 1.049 158 V CB -1.459 30.366 31.823 0.003 0.000 0.672 158 V HN 0.553 nan 8.190 nan 0.000 0.457 159 G N 0.617 109.420 108.800 0.004 0.000 2.484 159 G HA2 -0.357 3.603 3.960 0.000 0.000 0.215 159 G HA3 -0.357 3.603 3.960 0.000 0.000 0.215 159 G C 1.539 176.443 174.900 0.006 0.000 1.219 159 G CA 1.312 46.416 45.100 0.006 0.000 0.791 159 G HN 0.478 nan 8.290 nan 0.000 0.550 160 K N -0.156 120.247 120.400 0.004 0.000 2.107 160 K HA -0.152 4.168 4.320 0.000 0.000 0.211 160 K C 2.287 178.890 176.600 0.005 0.000 1.049 160 K CA 1.359 57.648 56.287 0.003 0.000 0.927 160 K CB -0.644 31.857 32.500 0.002 0.000 0.714 160 K HN 0.252 nan 8.250 nan 0.000 0.452 161 L N 0.478 121.705 121.223 0.006 0.000 2.044 161 L HA 0.060 4.400 4.340 0.000 0.000 0.205 161 L C 2.150 179.026 176.870 0.009 0.000 1.075 161 L CA 1.531 56.375 54.840 0.007 0.000 0.747 161 L CB -0.544 41.519 42.059 0.007 0.000 0.903 161 L HN 0.310 nan 8.230 nan 0.000 0.435 162 I N -0.800 119.777 120.570 0.012 0.000 2.202 162 I HA -0.272 3.898 4.170 0.000 0.000 0.242 162 I C 2.546 178.670 176.117 0.012 0.000 1.091 162 I CA 1.163 62.472 61.300 0.015 0.000 1.368 162 I CB -0.468 37.544 38.000 0.020 0.000 1.058 162 I HN 0.274 nan 8.210 nan 0.000 0.410 163 A N 0.135 122.961 122.820 0.010 0.000 1.883 163 A HA -0.279 4.041 4.320 0.000 0.000 0.217 163 A C 2.248 179.836 177.584 0.007 0.000 1.186 163 A CA 1.944 53.986 52.037 0.008 0.000 0.624 163 A CB -0.694 18.310 19.000 0.007 0.000 0.822 163 A HN 0.446 nan 8.150 nan 0.000 0.444 164 E N -0.570 119.634 120.200 0.006 0.000 2.153 164 E HA -0.116 4.234 4.350 0.000 0.000 0.194 164 E C 2.307 178.911 176.600 0.006 0.000 0.988 164 E CA 0.775 57.178 56.400 0.005 0.000 0.811 164 E CB -0.241 29.462 29.700 0.005 0.000 0.746 164 E HN 0.638 nan 8.360 nan 0.000 0.466 165 A N 1.383 124.208 122.820 0.008 0.000 1.828 165 A HA -0.218 4.103 4.320 0.000 0.000 0.215 165 A C 2.182 179.770 177.584 0.007 0.000 1.203 165 A CA 1.698 53.740 52.037 0.008 0.000 0.614 165 A CB -0.627 18.380 19.000 0.011 0.000 0.844 165 A HN 0.161 nan 8.150 nan 0.000 0.445 166 M N -0.623 118.982 119.600 0.008 0.000 2.260 166 M HA -0.185 4.295 4.480 0.000 0.000 0.261 166 M C 1.678 177.981 176.300 0.004 0.000 1.066 166 M CA 1.990 57.293 55.300 0.005 0.000 1.082 166 M CB -0.823 31.780 32.600 0.006 0.000 1.388 166 M HN 0.551 nan 8.290 nan 0.000 0.419 167 D N 0.748 121.151 120.400 0.004 0.000 2.144 167 D HA -0.111 4.529 4.640 0.000 0.000 0.200 167 D C 1.895 178.196 176.300 0.003 0.000 0.978 167 D CA 1.264 55.266 54.000 0.003 0.000 0.833 167 D CB 0.232 41.034 40.800 0.003 0.000 0.961 167 D HN 0.266 nan 8.370 nan 0.000 0.470 168 K N -0.743 119.659 120.400 0.003 0.000 2.242 168 K HA 0.037 4.357 4.320 0.000 0.000 0.200 168 K C 1.962 178.564 176.600 0.003 0.000 1.050 168 K CA 0.716 57.004 56.287 0.003 0.000 0.981 168 K CB 0.605 33.107 32.500 0.004 0.000 0.795 168 K HN 0.144 nan 8.250 nan 0.000 0.477 169 V N -2.670 117.246 119.914 0.003 0.000 2.725 169 V HA 0.320 4.440 4.120 0.000 0.000 0.247 169 V C 0.961 177.055 176.094 0.001 0.000 1.058 169 V CA 0.603 62.905 62.300 0.003 0.000 1.080 169 V CB -0.556 31.268 31.823 0.003 0.000 0.713 169 V HN 0.348 nan 8.190 nan 0.000 0.465 170 G N 0.423 109.223 108.800 0.000 0.000 2.526 170 G HA2 -0.179 3.781 3.960 0.000 0.000 0.250 170 G HA3 -0.179 3.781 3.960 0.000 0.000 0.250 170 G C 0.111 175.010 174.900 -0.002 0.000 1.289 170 G CA 0.148 45.247 45.100 -0.001 0.000 0.947 170 G HN 0.302 nan 8.290 nan 0.000 0.517 171 K N -0.021 120.377 120.400 -0.004 0.000 2.211 171 K HA 0.107 4.427 4.320 0.000 0.000 0.201 171 K C 1.742 178.337 176.600 -0.009 0.000 1.052 171 K CA 1.069 57.352 56.287 -0.006 0.000 0.973 171 K CB 0.028 32.525 32.500 -0.006 0.000 0.766 171 K HN 0.355 nan 8.250 nan 0.000 0.466 172 E N 0.695 120.890 120.200 -0.009 0.000 2.512 172 E HA 0.021 4.371 4.350 0.000 0.000 0.195 172 E C 0.405 176.998 176.600 -0.012 0.000 1.083 172 E CA 0.185 56.578 56.400 -0.012 0.000 0.873 172 E CB 0.271 29.964 29.700 -0.011 0.000 0.897 172 E HN 0.245 nan 8.360 nan 0.000 0.514 173 G N 0.045 108.839 108.800 -0.009 0.000 2.432 173 G HA2 0.463 4.423 3.960 0.000 0.000 0.331 173 G HA3 0.463 4.423 3.960 0.000 0.000 0.331 173 G C -0.402 174.493 174.900 -0.007 0.000 1.170 173 G CA -0.481 44.615 45.100 -0.007 0.000 0.943 173 G HN -0.059 nan 8.290 nan 0.000 0.483 174 V N 1.034 120.945 119.914 -0.004 0.000 2.617 174 V HA 0.566 4.686 4.120 0.000 0.000 0.298 174 V C -0.098 175.999 176.094 0.005 0.000 1.048 174 V CA -0.530 61.768 62.300 -0.003 0.000 0.964 174 V CB 1.455 33.276 31.823 -0.003 0.000 1.004 174 V HN 0.578 nan 8.190 nan 0.000 0.466 175 I N 2.891 123.466 120.570 0.008 0.000 2.499 175 I HA 0.493 4.663 4.170 0.000 0.000 0.288 175 I C -0.085 176.047 176.117 0.025 0.000 1.048 175 I CA -0.215 61.095 61.300 0.016 0.000 1.062 175 I CB 2.405 40.416 38.000 0.018 0.000 1.238 175 I HN 0.753 nan 8.210 nan 0.000 0.426 176 T N 2.868 117.439 114.554 0.027 0.000 2.918 176 T HA 0.699 5.049 4.350 0.000 0.000 0.286 176 T C -0.585 174.135 174.700 0.033 0.000 1.026 176 T CA -0.889 61.232 62.100 0.035 0.000 1.031 176 T CB 2.419 71.306 68.868 0.032 0.000 1.046 176 T HN 0.329 nan 8.240 nan 0.000 0.479 177 V N 1.790 121.727 119.914 0.038 0.000 2.555 177 V HA 0.850 4.970 4.120 0.000 0.000 0.302 177 V C -1.425 174.684 176.094 0.025 0.000 1.038 177 V CA -0.518 61.800 62.300 0.030 0.000 0.887 177 V CB 1.282 33.124 31.823 0.031 0.000 0.991 177 V HN 1.198 nan 8.190 nan 0.000 0.434 178 E N 3.089 123.300 120.200 0.019 0.000 2.437 178 E HA 0.461 4.811 4.350 0.000 0.000 0.280 178 E C -1.889 174.718 176.600 0.012 0.000 1.044 178 E CA -0.996 55.414 56.400 0.016 0.000 0.826 178 E CB 0.632 30.342 29.700 0.017 0.000 1.358 178 E HN 0.497 nan 8.360 nan 0.000 0.459 179 D N 0.819 121.225 120.400 0.010 0.000 2.493 179 D HA 0.277 4.917 4.640 0.000 0.000 0.240 179 D C 0.311 176.615 176.300 0.006 0.000 1.142 179 D CA 0.646 54.651 54.000 0.008 0.000 0.872 179 D CB 0.826 41.631 40.800 0.007 0.000 1.173 179 D HN 0.561 nan 8.370 nan 0.000 0.467 180 G N 0.279 109.082 108.800 0.005 0.000 2.522 180 G HA2 0.366 4.327 3.960 0.000 0.000 0.304 180 G HA3 0.366 4.327 3.960 0.000 0.000 0.304 180 G C 1.047 175.948 174.900 0.003 0.000 1.210 180 G CA -0.087 45.015 45.100 0.004 0.000 0.960 180 G HN 0.438 nan 8.290 nan 0.000 0.497 181 T N -2.084 112.471 114.554 0.002 0.000 2.988 181 T HA 0.262 4.612 4.350 0.000 0.000 0.240 181 T C 1.616 176.317 174.700 0.001 0.000 1.014 181 T CA 0.915 63.016 62.100 0.001 0.000 1.155 181 T CB -0.549 68.319 68.868 0.000 0.000 0.872 181 T HN 0.753 nan 8.240 nan 0.000 0.440 182 G N 0.938 109.739 108.800 0.001 0.000 2.486 182 G HA2 0.432 4.392 3.960 0.000 0.000 0.272 182 G HA3 0.432 4.392 3.960 0.000 0.000 0.272 182 G C 0.627 175.527 174.900 0.000 0.000 1.426 182 G CA -0.476 44.624 45.100 0.000 0.000 1.058 182 G HN 0.339 nan 8.290 nan 0.000 0.531 183 L N -0.729 120.494 121.223 -0.000 0.000 2.416 183 L HA 0.121 4.461 4.340 0.000 0.000 0.216 183 L C 0.603 177.473 176.870 -0.000 0.000 1.098 183 L CA 0.661 55.501 54.840 -0.000 0.000 0.840 183 L CB -0.277 41.781 42.059 -0.001 0.000 0.981 183 L HN 0.519 nan 8.230 nan 0.000 0.462 184 Q N -0.482 119.318 119.800 -0.000 0.000 2.257 184 Q HA 0.313 4.653 4.340 0.000 0.000 0.262 184 Q C -0.678 175.323 176.000 0.001 0.000 0.997 184 Q CA -0.709 55.094 55.803 0.000 0.000 0.873 184 Q CB 0.665 29.403 28.738 -0.000 0.000 1.312 184 Q HN -0.002 nan 8.270 nan 0.000 0.450 185 D N 1.202 121.603 120.400 0.001 0.000 2.399 185 D HA 0.104 4.744 4.640 0.000 0.000 0.241 185 D C -0.455 175.847 176.300 0.003 0.000 1.133 185 D CA 0.219 54.221 54.000 0.002 0.000 0.890 185 D CB 1.010 41.812 40.800 0.003 0.000 1.201 185 D HN 0.621 nan 8.370 nan 0.000 0.432 186 E N 1.092 121.294 120.200 0.004 0.000 2.321 186 E HA 0.313 4.663 4.350 0.000 0.000 0.278 186 E C -1.926 174.677 176.600 0.005 0.000 0.902 186 E CA -0.804 55.598 56.400 0.003 0.000 0.758 186 E CB 1.947 31.648 29.700 0.002 0.000 1.213 186 E HN 0.189 nan 8.360 nan 0.000 0.426 187 L N 4.122 125.348 121.223 0.004 0.000 2.287 187 L HA 0.492 4.832 4.340 0.000 0.000 0.287 187 L C -1.271 175.602 176.870 0.004 0.000 1.022 187 L CA -0.158 54.685 54.840 0.005 0.000 0.814 187 L CB 1.286 43.348 42.059 0.006 0.000 1.217 187 L HN 0.433 nan 8.230 nan 0.000 0.420 188 D N 4.274 124.677 120.400 0.005 0.000 2.217 188 D HA 0.472 5.112 4.640 0.000 0.000 0.243 188 D C -0.962 175.341 176.300 0.005 0.000 1.054 188 D CA -0.068 53.934 54.000 0.004 0.000 0.838 188 D CB 2.558 43.360 40.800 0.003 0.000 1.162 188 D HN 0.278 nan 8.370 nan 0.000 0.472 189 V N 2.283 122.199 119.914 0.004 0.000 2.540 189 V HA 0.308 4.428 4.120 0.000 0.000 0.302 189 V C -0.030 176.067 176.094 0.004 0.000 1.035 189 V CA -0.829 61.474 62.300 0.005 0.000 0.873 189 V CB 2.147 33.973 31.823 0.005 0.000 0.992 189 V HN 0.271 nan 8.190 nan 0.000 0.428 190 V N 3.963 123.880 119.914 0.006 0.000 2.370 190 V HA 0.438 4.558 4.120 0.000 0.000 0.279 190 V C 0.095 176.194 176.094 0.010 0.000 1.029 190 V CA -0.785 61.519 62.300 0.007 0.000 0.870 190 V CB 1.371 33.200 31.823 0.009 0.000 0.984 190 V HN 0.776 nan 8.190 nan 0.000 0.451 191 E N 3.096 123.301 120.200 0.008 0.000 2.313 191 E HA 0.514 4.864 4.350 0.000 0.000 0.276 191 E C 0.887 177.495 176.600 0.014 0.000 1.031 191 E CA 0.979 57.384 56.400 0.009 0.000 0.857 191 E CB 1.552 31.256 29.700 0.006 0.000 1.040 191 E HN 0.995 nan 8.360 nan 0.000 0.408 192 G N 2.947 111.756 108.800 0.015 0.000 2.527 192 G HA2 -0.318 3.642 3.960 0.000 0.000 0.268 192 G HA3 -0.318 3.642 3.960 0.000 0.000 0.268 192 G C -0.082 174.836 174.900 0.031 0.000 1.175 192 G CA 0.347 45.459 45.100 0.020 0.000 0.962 192 G HN 0.572 nan 8.290 nan 0.000 0.560 193 M N 0.751 120.380 119.600 0.048 0.000 2.294 193 M HA 0.760 5.240 4.480 0.000 0.000 0.335 193 M C -0.464 175.917 176.300 0.135 0.000 1.079 193 M CA -0.513 54.834 55.300 0.078 0.000 0.982 193 M CB 1.682 34.323 32.600 0.068 0.000 1.651 193 M HN 0.924 nan 8.290 nan 0.000 0.437 194 Q N 4.109 124.011 119.800 0.169 0.000 2.418 194 Q HA 0.677 5.017 4.340 0.000 0.000 0.282 194 Q C -2.140 174.038 176.000 0.298 0.000 1.044 194 Q CA -0.766 55.149 55.803 0.187 0.000 0.813 194 Q CB 2.361 31.126 28.738 0.045 0.000 1.428 194 Q HN 0.802 nan 8.270 nan 0.000 0.402 195 F N -1.131 118.811 119.950 -0.013 0.000 2.685 195 F HA 0.482 5.009 4.527 0.000 0.000 0.315 195 F C -1.114 174.678 175.800 -0.015 0.000 1.126 195 F CA -1.346 56.648 58.000 -0.010 0.000 0.950 195 F CB 0.713 39.709 39.000 -0.007 0.000 1.360 195 F HN 0.405 nan 8.300 nan 0.000 0.469 196 D N 1.457 121.916 120.400 0.098 0.000 2.994 196 D HA 0.281 4.921 4.640 0.000 0.000 0.240 196 D C -0.522 175.755 176.300 -0.038 0.000 1.195 196 D CA -0.003 53.993 54.000 -0.006 0.000 0.957 196 D CB -0.109 40.719 40.800 0.048 0.000 1.105 196 D HN 0.230 nan 8.370 nan 0.000 0.477 197 R N 0.452 120.838 120.500 -0.190 0.000 2.651 197 R HA 0.709 5.050 4.340 0.000 0.000 0.278 197 R C 0.107 176.250 176.300 -0.261 0.000 1.010 197 R CA -0.832 55.179 56.100 -0.148 0.000 0.896 197 R CB 1.914 32.216 30.300 0.004 0.000 1.211 197 R HN 0.251 nan 8.270 nan 0.000 0.456 198 G N 0.712 109.376 108.800 -0.228 0.000 2.735 198 G HA2 0.505 4.465 3.960 0.000 0.000 0.301 198 G HA3 0.505 4.465 3.960 0.000 0.000 0.301 198 G C -0.716 174.048 174.900 -0.227 0.000 1.279 198 G CA -0.668 44.219 45.100 -0.355 0.000 1.019 198 G HN 0.424 nan 8.290 nan 0.000 0.497 199 Y N -1.219 119.091 120.300 0.016 0.000 2.757 199 Y HA 0.223 4.773 4.550 0.000 0.000 0.344 199 Y C 1.043 177.049 175.900 0.176 0.000 1.263 199 Y CA -0.659 57.506 58.100 0.109 0.000 1.493 199 Y CB 0.243 38.852 38.460 0.247 0.000 1.342 199 Y HN 0.183 nan 8.280 nan 0.000 0.627 200 L N 1.666 123.223 121.223 0.556 0.000 2.607 200 L HA 0.216 4.556 4.340 0.000 0.000 0.228 200 L C 0.214 177.303 176.870 0.364 0.000 1.123 200 L CA 0.533 55.615 54.840 0.403 0.000 0.890 200 L CB -0.202 42.047 42.059 0.316 0.000 1.103 200 L HN 0.796 nan 8.230 nan 0.000 0.468 201 S N -2.269 113.666 115.700 0.391 0.000 2.626 201 S HA 0.351 4.821 4.470 0.000 0.000 0.275 201 S C -2.583 171.874 174.600 -0.238 0.000 1.175 201 S CA -0.935 57.281 58.200 0.027 0.000 0.982 201 S CB 1.752 64.869 63.200 -0.139 0.000 1.093 201 S HN -0.238 nan 8.310 nan 0.000 0.472 202 P HA -0.020 nan 4.420 nan 0.000 0.231 202 P C 0.076 176.957 177.300 -0.698 0.000 1.154 202 P CA 0.859 63.507 63.100 -0.754 0.000 0.762 202 P CB -0.360 31.024 31.700 -0.526 0.000 0.790 203 Y N -2.794 117.253 120.300 -0.421 0.000 2.347 203 Y HA 0.035 4.586 4.550 0.000 0.000 0.294 203 Y C 1.997 177.740 175.900 -0.262 0.000 1.117 203 Y CA 0.472 58.369 58.100 -0.338 0.000 1.184 203 Y CB -1.095 37.148 38.460 -0.361 0.000 1.047 203 Y HN -0.147 nan 8.280 nan 0.000 0.546 204 F N 0.697 120.639 119.950 -0.014 0.000 2.135 204 F HA -0.261 4.266 4.527 0.000 0.000 0.300 204 F C 1.005 176.779 175.800 -0.043 0.000 1.074 204 F CA 0.476 58.466 58.000 -0.016 0.000 1.262 204 F CB -1.433 37.563 39.000 -0.008 0.000 1.013 204 F HN -0.128 nan 8.300 nan 0.000 0.489 205 I N 2.393 122.989 120.570 0.044 0.000 2.978 205 I HA -0.229 3.941 4.170 0.000 0.000 0.293 205 I C 1.096 177.235 176.117 0.036 0.000 1.218 205 I CA 0.585 61.887 61.300 0.003 0.000 1.393 205 I CB -0.137 37.798 38.000 -0.109 0.000 1.394 205 I HN 0.243 nan 8.210 nan 0.000 0.541 206 N N 5.322 124.055 118.700 0.055 0.000 2.280 206 N HA 0.014 4.754 4.740 0.000 0.000 0.192 206 N C 0.017 175.545 175.510 0.030 0.000 1.109 206 N CA 0.133 53.210 53.050 0.045 0.000 0.855 206 N CB 0.387 38.905 38.487 0.051 0.000 0.974 206 N HN 0.485 nan 8.380 nan 0.000 0.482 207 K N 0.634 121.051 120.400 0.028 0.000 2.701 207 K HA 0.251 4.571 4.320 0.000 0.000 0.212 207 K C -2.174 174.437 176.600 0.017 0.000 1.035 207 K CA -1.806 54.494 56.287 0.022 0.000 1.048 207 K CB 2.101 34.615 32.500 0.023 0.000 1.234 207 K HN -0.032 nan 8.250 nan 0.000 0.540 208 P HA -0.162 nan 4.420 nan 0.000 0.228 208 P C 0.059 177.363 177.300 0.007 0.000 1.151 208 P CA 1.069 64.169 63.100 0.000 0.000 0.770 208 P CB 0.470 32.165 31.700 -0.007 0.000 0.786 209 E N -0.345 119.862 120.200 0.010 0.000 2.107 209 E HA -0.075 4.275 4.350 0.000 0.000 0.191 209 E C 1.868 178.477 176.600 0.015 0.000 0.982 209 E CA 1.450 57.856 56.400 0.010 0.000 0.809 209 E CB -1.298 28.407 29.700 0.009 0.000 0.756 209 E HN 0.215 nan 8.360 nan 0.000 0.459 210 T N -0.911 113.656 114.554 0.021 0.000 3.043 210 T HA 0.149 4.499 4.350 0.000 0.000 0.263 210 T C 1.461 176.186 174.700 0.042 0.000 1.094 210 T CA 0.703 62.819 62.100 0.027 0.000 1.127 210 T CB -0.035 68.849 68.868 0.028 0.000 0.905 210 T HN 0.417 nan 8.240 nan 0.000 0.490 211 G N 1.415 110.244 108.800 0.048 0.000 2.147 211 G HA2 0.006 3.966 3.960 0.000 0.000 0.244 211 G HA3 0.006 3.966 3.960 0.000 0.000 0.244 211 G C 0.069 175.063 174.900 0.157 0.000 1.005 211 G CA 0.057 45.203 45.100 0.075 0.000 0.713 211 G HN 0.954 nan 8.290 nan 0.000 0.515 212 A N -1.296 121.598 122.820 0.124 0.000 2.479 212 A HA 0.915 5.235 4.320 0.000 0.000 0.296 212 A C -0.293 177.363 177.584 0.120 0.000 1.121 212 A CA -0.191 51.945 52.037 0.164 0.000 0.743 212 A CB 2.052 21.108 19.000 0.092 0.000 1.323 212 A HN 1.265 nan 8.150 nan 0.000 0.415 213 V N 0.920 120.919 119.914 0.142 0.000 2.427 213 V HA 0.534 4.654 4.120 0.000 0.000 0.286 213 V C 0.028 176.155 176.094 0.055 0.000 1.034 213 V CA -0.405 61.955 62.300 0.100 0.000 0.893 213 V CB 1.295 33.193 31.823 0.124 0.000 0.982 213 V HN 0.906 nan 8.190 nan 0.000 0.452 214 E N 4.374 124.598 120.200 0.040 0.000 2.218 214 E HA 0.660 5.010 4.350 0.000 0.000 0.263 214 E C -1.755 174.855 176.600 0.016 0.000 0.879 214 E CA -0.558 55.855 56.400 0.022 0.000 0.762 214 E CB 1.568 31.280 29.700 0.019 0.000 1.166 214 E HN 0.642 nan 8.360 nan 0.000 0.415 215 L N 3.279 124.506 121.223 0.005 0.000 2.386 215 L HA 0.535 4.875 4.340 0.000 0.000 0.271 215 L C -0.586 176.276 176.870 -0.014 0.000 0.993 215 L CA -0.839 54.001 54.840 -0.001 0.000 0.819 215 L CB 2.154 44.212 42.059 -0.003 0.000 1.294 215 L HN 0.479 nan 8.230 nan 0.000 0.414 216 E N 1.111 121.298 120.200 -0.022 0.000 2.199 216 E HA 0.381 4.731 4.350 0.000 0.000 0.265 216 E C -0.472 176.089 176.600 -0.065 0.000 0.882 216 E CA -0.677 55.702 56.400 -0.035 0.000 0.759 216 E CB 1.806 31.492 29.700 -0.024 0.000 1.148 216 E HN 0.607 nan 8.360 nan 0.000 0.412 217 S N 1.196 116.846 115.700 -0.084 0.000 3.614 217 S HA -0.128 4.342 4.470 0.000 0.000 0.360 217 S C -2.255 172.204 174.600 -0.235 0.000 1.023 217 S CA 0.427 58.542 58.200 -0.142 0.000 1.114 217 S CB -1.570 61.549 63.200 -0.135 0.000 0.907 217 S HN 0.468 nan 8.310 nan 0.000 0.470 218 P HA 0.614 nan 4.420 nan 0.000 0.282 218 P C 0.052 177.212 177.300 -0.233 0.000 1.259 218 P CA -0.718 62.273 63.100 -0.180 0.000 0.826 218 P CB 0.471 32.141 31.700 -0.051 0.000 1.064 219 F N 0.334 120.288 119.950 0.006 0.000 2.370 219 F HA 0.419 4.946 4.527 0.000 0.000 0.324 219 F C 0.864 176.667 175.800 0.005 0.000 1.116 219 F CA -0.024 57.980 58.000 0.006 0.000 1.123 219 F CB 0.353 39.356 39.000 0.006 0.000 1.238 219 F HN 0.040 nan 8.300 nan 0.000 0.536 220 I N 2.915 123.623 120.570 0.230 0.000 2.468 220 I HA 0.252 4.422 4.170 0.000 0.000 0.285 220 I C -1.304 174.868 176.117 0.092 0.000 1.039 220 I CA -0.696 60.677 61.300 0.122 0.000 1.074 220 I CB 1.805 39.855 38.000 0.082 0.000 1.228 220 I HN 0.282 nan 8.210 nan 0.000 0.436 221 L N 7.950 129.212 121.223 0.066 0.000 2.276 221 L HA 0.513 4.853 4.340 0.000 0.000 0.286 221 L C -1.000 175.887 176.870 0.029 0.000 1.061 221 L CA 0.088 54.951 54.840 0.038 0.000 0.807 221 L CB 0.747 42.822 42.059 0.028 0.000 1.177 221 L HN 0.486 nan 8.230 nan 0.000 0.429 222 L N 6.763 127.997 121.223 0.018 0.000 2.371 222 L HA 0.561 4.901 4.340 0.000 0.000 0.262 222 L C 0.060 176.933 176.870 0.005 0.000 1.054 222 L CA -0.498 54.347 54.840 0.008 0.000 0.924 222 L CB 0.923 42.981 42.059 -0.003 0.000 1.295 222 L HN 0.806 nan 8.230 nan 0.000 0.441 223 A N 1.399 124.227 122.820 0.012 0.000 2.294 223 A HA 0.255 4.575 4.320 0.000 0.000 0.316 223 A C -0.185 177.407 177.584 0.012 0.000 1.359 223 A CA -0.421 51.623 52.037 0.013 0.000 0.956 223 A CB 0.162 19.173 19.000 0.019 0.000 1.155 223 A HN 0.632 nan 8.150 nan 0.000 0.544 224 D N 2.924 123.328 120.400 0.006 0.000 2.517 224 D HA 0.417 5.057 4.640 0.000 0.000 0.220 224 D C -0.065 176.242 176.300 0.012 0.000 1.158 224 D CA 0.390 54.394 54.000 0.007 0.000 0.992 224 D CB -0.492 40.307 40.800 -0.002 0.000 1.058 224 D HN 0.665 nan 8.370 nan 0.000 0.516 225 K N 0.097 120.510 120.400 0.020 0.000 3.245 225 K HA 0.120 4.440 4.320 0.000 0.000 0.350 225 K C -1.218 175.400 176.600 0.030 0.000 1.129 225 K CA -1.135 55.166 56.287 0.024 0.000 0.883 225 K CB 0.262 32.774 32.500 0.019 0.000 1.411 225 K HN -0.116 nan 8.250 nan 0.000 0.412 226 K N 0.907 121.326 120.400 0.032 0.000 2.219 226 K HA 0.347 4.667 4.320 0.000 0.000 0.258 226 K C -0.312 176.309 176.600 0.035 0.000 1.008 226 K CA -0.258 56.051 56.287 0.037 0.000 0.928 226 K CB 0.429 32.951 32.500 0.036 0.000 0.983 226 K HN 0.407 nan 8.250 nan 0.000 0.484 227 I N 2.076 122.670 120.570 0.041 0.000 2.466 227 I HA 0.044 4.214 4.170 0.000 0.000 0.279 227 I C 0.238 176.379 176.117 0.041 0.000 1.033 227 I CA -0.054 61.270 61.300 0.040 0.000 1.123 227 I CB 1.661 39.689 38.000 0.046 0.000 1.237 227 I HN 0.621 nan 8.210 nan 0.000 0.460 228 S N 3.025 118.745 115.700 0.033 0.000 2.506 228 S HA 0.175 4.645 4.470 0.000 0.000 0.230 228 S C 0.797 175.413 174.600 0.026 0.000 1.066 228 S CA 0.079 58.297 58.200 0.030 0.000 0.940 228 S CB 0.195 63.410 63.200 0.025 0.000 0.818 228 S HN 0.551 nan 8.310 nan 0.000 0.518 229 N N 2.545 121.259 118.700 0.023 0.000 2.469 229 N HA 0.267 5.007 4.740 0.000 0.000 0.239 229 N C 0.637 176.159 175.510 0.020 0.000 1.053 229 N CA -0.060 53.001 53.050 0.019 0.000 0.937 229 N CB 0.991 39.487 38.487 0.015 0.000 1.163 229 N HN 0.204 nan 8.380 nan 0.000 0.509 230 I N 3.228 123.810 120.570 0.020 0.000 2.300 230 I HA -0.350 3.820 4.170 0.000 0.000 0.252 230 I C 1.727 177.854 176.117 0.016 0.000 1.119 230 I CA 1.455 62.768 61.300 0.021 0.000 1.384 230 I CB 0.227 38.239 38.000 0.020 0.000 1.062 230 I HN 0.462 nan 8.210 nan 0.000 0.426 231 R N 0.833 121.340 120.500 0.012 0.000 2.153 231 R HA -0.244 4.096 4.340 0.000 0.000 0.252 231 R C 1.816 178.120 176.300 0.007 0.000 1.158 231 R CA 2.010 58.115 56.100 0.008 0.000 0.975 231 R CB -0.749 29.555 30.300 0.007 0.000 0.871 231 R HN 0.559 nan 8.270 nan 0.000 0.450 232 E N 0.115 120.321 120.200 0.009 0.000 2.338 232 E HA -0.095 4.255 4.350 0.000 0.000 0.197 232 E C 1.799 178.403 176.600 0.007 0.000 1.007 232 E CA 0.699 57.103 56.400 0.008 0.000 0.849 232 E CB 0.042 29.748 29.700 0.011 0.000 0.774 232 E HN 0.299 nan 8.360 nan 0.000 0.506 233 M N 0.036 119.642 119.600 0.011 0.000 2.325 233 M HA 0.027 4.507 4.480 0.000 0.000 0.265 233 M C 2.255 178.558 176.300 0.005 0.000 1.094 233 M CA 0.791 56.098 55.300 0.011 0.000 1.161 233 M CB -0.792 31.822 32.600 0.022 0.000 1.358 233 M HN 0.120 nan 8.290 nan 0.000 0.446 234 L N 0.836 122.062 121.223 0.005 0.000 2.026 234 L HA -0.284 4.056 4.340 0.000 0.000 0.231 234 L C -0.304 176.563 176.870 -0.005 0.000 1.095 234 L CA 2.174 57.015 54.840 0.002 0.000 0.810 234 L CB -2.694 39.367 42.059 0.002 0.000 0.909 234 L HN 0.167 nan 8.230 nan 0.000 0.444 235 P HA -0.175 nan 4.420 nan 0.000 0.216 235 P C 1.856 179.140 177.300 -0.027 0.000 1.157 235 P CA 1.803 64.893 63.100 -0.016 0.000 0.880 235 P CB -0.082 31.608 31.700 -0.016 0.000 0.791 236 V N 0.346 120.243 119.914 -0.028 0.000 2.283 236 V HA -0.182 3.938 4.120 0.000 0.000 0.243 236 V C 2.839 178.908 176.094 -0.041 0.000 1.039 236 V CA 1.382 63.655 62.300 -0.046 0.000 1.016 236 V CB -1.394 30.406 31.823 -0.040 0.000 0.650 236 V HN -0.011 nan 8.190 nan 0.000 0.449 237 L N -0.014 121.200 121.223 -0.015 0.000 2.270 237 L HA -0.249 4.091 4.340 0.000 0.000 0.217 237 L C 2.515 179.384 176.870 -0.003 0.000 1.107 237 L CA 1.641 56.481 54.840 0.000 0.000 0.772 237 L CB -0.512 41.556 42.059 0.014 0.000 0.902 237 L HN 0.516 nan 8.230 nan 0.000 0.439 238 E N -0.541 119.652 120.200 -0.013 0.000 2.166 238 E HA -0.034 4.316 4.350 0.000 0.000 0.192 238 E C 2.306 178.894 176.600 -0.020 0.000 0.967 238 E CA 0.755 57.149 56.400 -0.010 0.000 0.840 238 E CB -0.037 29.657 29.700 -0.009 0.000 0.795 238 E HN 0.450 nan 8.360 nan 0.000 0.470 239 A N 1.388 124.182 122.820 -0.043 0.000 1.972 239 A HA -0.114 4.206 4.320 0.000 0.000 0.219 239 A C 2.420 179.958 177.584 -0.077 0.000 1.169 239 A CA 0.973 52.970 52.037 -0.066 0.000 0.635 239 A CB -0.484 18.455 19.000 -0.100 0.000 0.810 239 A HN 0.101 nan 8.150 nan 0.000 0.446 240 V N -0.606 119.266 119.914 -0.070 0.000 2.667 240 V HA -0.102 4.018 4.120 0.000 0.000 0.252 240 V C 2.647 178.770 176.094 0.048 0.000 1.065 240 V CA 1.453 63.742 62.300 -0.018 0.000 1.083 240 V CB -0.970 30.859 31.823 0.009 0.000 0.692 240 V HN 0.556 nan 8.190 nan 0.000 0.468 241 A N -0.846 121.990 122.820 0.027 0.000 2.238 241 A HA 0.022 4.342 4.320 0.000 0.000 0.208 241 A C 2.180 179.783 177.584 0.032 0.000 1.177 241 A CA 0.762 52.819 52.037 0.034 0.000 0.804 241 A CB -0.200 18.814 19.000 0.023 0.000 0.823 241 A HN 0.499 nan 8.150 nan 0.000 0.482 242 K N -1.099 119.318 120.400 0.028 0.000 2.313 242 K HA 0.239 4.559 4.320 0.000 0.000 0.197 242 K C 1.901 178.532 176.600 0.052 0.000 1.061 242 K CA 0.708 57.012 56.287 0.029 0.000 0.980 242 K CB 0.181 32.688 32.500 0.012 0.000 0.888 242 K HN 0.344 nan 8.250 nan 0.000 0.502 243 A N 0.648 123.518 122.820 0.083 0.000 2.167 243 A HA 0.126 4.446 4.320 0.000 0.000 0.214 243 A C 1.420 179.089 177.584 0.142 0.000 1.151 243 A CA 1.037 53.163 52.037 0.150 0.000 0.735 243 A CB -0.473 18.705 19.000 0.296 0.000 0.802 243 A HN 0.400 nan 8.150 nan 0.000 0.467 244 G N -0.769 108.098 108.800 0.112 0.000 2.168 244 G HA2 -0.301 3.659 3.960 0.000 0.000 0.257 244 G HA3 -0.301 3.659 3.960 0.000 0.000 0.257 244 G C 0.198 175.147 174.900 0.082 0.000 0.997 244 G CA 0.996 46.145 45.100 0.081 0.000 0.708 244 G HN 0.609 nan 8.290 nan 0.000 0.520 245 K N 0.855 121.334 120.400 0.132 0.000 2.156 245 K HA 0.538 4.859 4.320 0.000 0.000 0.254 245 K C -1.940 174.729 176.600 0.116 0.000 0.950 245 K CA -2.063 54.268 56.287 0.074 0.000 0.849 245 K CB 2.000 34.464 32.500 -0.059 0.000 1.100 245 K HN 0.020 nan 8.250 nan 0.000 0.434 246 P HA 0.057 nan 4.420 nan 0.000 0.272 246 P C -1.200 176.166 177.300 0.110 0.000 1.254 246 P CA -0.454 62.688 63.100 0.070 0.000 0.795 246 P CB 0.497 32.216 31.700 0.032 0.000 1.022 247 L N 0.262 121.541 121.223 0.094 0.000 2.455 247 L HA 0.525 4.865 4.340 0.000 0.000 0.264 247 L C -1.757 175.140 176.870 0.046 0.000 0.968 247 L CA -1.087 53.818 54.840 0.110 0.000 0.827 247 L CB 1.659 43.794 42.059 0.127 0.000 1.317 247 L HN 0.134 nan 8.230 nan 0.000 0.407 248 L N 5.901 127.151 121.223 0.045 0.000 2.296 248 L HA 0.629 4.969 4.340 0.000 0.000 0.286 248 L C -1.139 175.742 176.870 0.018 0.000 1.023 248 L CA -0.228 54.615 54.840 0.005 0.000 0.812 248 L CB 1.160 43.230 42.059 0.019 0.000 1.223 248 L HN 0.462 nan 8.230 nan 0.000 0.421 249 I N 7.299 127.861 120.570 -0.012 0.000 2.306 249 I HA 0.279 4.449 4.170 0.000 0.000 0.288 249 I C -0.184 175.946 176.117 0.022 0.000 1.036 249 I CA -0.218 61.088 61.300 0.011 0.000 1.221 249 I CB 0.840 38.847 38.000 0.012 0.000 1.385 249 I HN 0.549 nan 8.210 nan 0.000 0.472 250 I N 5.953 126.548 120.570 0.042 0.000 2.347 250 I HA 0.453 4.623 4.170 0.000 0.000 0.283 250 I C 0.582 176.725 176.117 0.044 0.000 1.058 250 I CA -0.083 61.254 61.300 0.062 0.000 1.202 250 I CB 0.991 39.036 38.000 0.075 0.000 1.386 250 I HN 0.617 nan 8.210 nan 0.000 0.475 251 A N 4.368 127.218 122.820 0.051 0.000 2.288 251 A HA 0.402 4.722 4.320 0.000 0.000 0.328 251 A C 1.158 178.774 177.584 0.052 0.000 1.123 251 A CA -0.539 51.525 52.037 0.045 0.000 0.861 251 A CB 0.966 19.994 19.000 0.047 0.000 1.272 251 A HN 0.747 nan 8.150 nan 0.000 0.490 252 E N -0.588 119.639 120.200 0.045 0.000 2.160 252 E HA -0.172 4.178 4.350 0.000 0.000 0.195 252 E C -0.388 176.249 176.600 0.062 0.000 0.991 252 E CA 1.712 58.143 56.400 0.052 0.000 0.810 252 E CB 0.119 29.846 29.700 0.045 0.000 0.742 252 E HN 0.636 nan 8.360 nan 0.000 0.466 253 D N -2.171 118.265 120.400 0.060 0.000 2.766 253 D HA 0.118 4.758 4.640 0.000 0.000 0.244 253 D C -1.934 174.408 176.300 0.069 0.000 1.198 253 D CA -0.505 53.536 54.000 0.067 0.000 0.739 253 D CB 1.911 42.747 40.800 0.061 0.000 1.379 253 D HN -0.129 nan 8.370 nan 0.000 0.437 254 V N 2.689 122.654 119.914 0.085 0.000 2.305 254 V HA 0.413 4.533 4.120 0.000 0.000 0.275 254 V C 0.466 176.615 176.094 0.092 0.000 1.020 254 V CA -0.675 61.680 62.300 0.092 0.000 0.811 254 V CB 0.962 32.858 31.823 0.121 0.000 1.031 254 V HN 0.422 nan 8.190 nan 0.000 0.439 255 E N 2.450 122.692 120.200 0.070 0.000 2.620 255 E HA 0.377 4.727 4.350 0.000 0.000 0.255 255 E C 1.571 178.204 176.600 0.056 0.000 1.346 255 E CA 0.140 56.576 56.400 0.060 0.000 1.013 255 E CB 0.595 30.322 29.700 0.045 0.000 1.131 255 E HN 0.604 nan 8.360 nan 0.000 0.608 256 G N 0.834 109.660 108.800 0.044 0.000 2.855 256 G HA2 -0.409 3.551 3.960 0.000 0.000 0.227 256 G HA3 -0.409 3.551 3.960 0.000 0.000 0.227 256 G C 1.290 176.209 174.900 0.031 0.000 1.245 256 G CA 1.346 46.467 45.100 0.035 0.000 0.781 256 G HN 0.560 nan 8.290 nan 0.000 0.666 257 E N 0.831 121.047 120.200 0.027 0.000 2.007 257 E HA -0.198 4.152 4.350 0.000 0.000 0.203 257 E C 3.041 179.657 176.600 0.027 0.000 1.020 257 E CA 1.641 58.054 56.400 0.022 0.000 0.845 257 E CB -0.776 28.936 29.700 0.020 0.000 0.779 257 E HN 0.311 nan 8.360 nan 0.000 0.466 258 A N 1.284 124.127 122.820 0.037 0.000 1.865 258 A HA -0.217 4.103 4.320 0.000 0.000 0.217 258 A C 2.340 179.962 177.584 0.063 0.000 1.191 258 A CA 1.841 53.907 52.037 0.047 0.000 0.623 258 A CB -1.007 18.024 19.000 0.052 0.000 0.826 258 A HN 0.346 nan 8.150 nan 0.000 0.444 259 L N -0.145 121.126 121.223 0.079 0.000 1.951 259 L HA -0.240 4.100 4.340 0.000 0.000 0.222 259 L C 2.799 179.699 176.870 0.050 0.000 1.078 259 L CA 2.766 57.668 54.840 0.104 0.000 0.778 259 L CB -1.124 41.001 42.059 0.109 0.000 0.893 259 L HN 0.435 nan 8.230 nan 0.000 0.436 260 A N -1.885 120.947 122.820 0.019 0.000 1.954 260 A HA -0.345 3.975 4.320 0.000 0.000 0.222 260 A C 2.224 179.790 177.584 -0.031 0.000 1.199 260 A CA 3.006 55.030 52.037 -0.021 0.000 0.657 260 A CB -1.492 17.498 19.000 -0.015 0.000 0.823 260 A HN 0.652 nan 8.150 nan 0.000 0.463 261 T N 0.169 114.723 114.554 -0.001 0.000 2.639 261 T HA -0.088 4.262 4.350 0.000 0.000 0.261 261 T C 1.858 176.567 174.700 0.013 0.000 1.053 261 T CA 1.337 63.438 62.100 0.001 0.000 1.158 261 T CB -0.540 68.338 68.868 0.015 0.000 0.863 261 T HN 0.352 nan 8.240 nan 0.000 0.413 262 L N 0.950 122.207 121.223 0.056 0.000 2.010 262 L HA -0.229 4.111 4.340 0.000 0.000 0.219 262 L C 2.690 179.607 176.870 0.079 0.000 1.077 262 L CA 1.374 56.280 54.840 0.110 0.000 0.773 262 L CB -0.985 41.201 42.059 0.212 0.000 0.892 262 L HN 0.160 nan 8.230 nan 0.000 0.436 263 V N -0.662 119.245 119.914 -0.013 0.000 2.220 263 V HA -0.359 3.761 4.120 0.000 0.000 0.250 263 V C 2.381 178.393 176.094 -0.137 0.000 1.056 263 V CA 2.217 64.413 62.300 -0.172 0.000 1.016 263 V CB -0.793 30.875 31.823 -0.260 0.000 0.639 263 V HN 0.272 nan 8.190 nan 0.000 0.446 264 V N 0.656 120.499 119.914 -0.118 0.000 2.317 264 V HA -0.351 3.769 4.120 0.000 0.000 0.251 264 V C 2.189 178.248 176.094 -0.058 0.000 1.065 264 V CA 2.570 64.809 62.300 -0.102 0.000 1.049 264 V CB -1.058 30.721 31.823 -0.073 0.000 0.651 264 V HN 0.621 nan 8.190 nan 0.000 0.450 265 N N 0.373 119.060 118.700 -0.021 0.000 2.109 265 N HA -0.141 4.599 4.740 0.000 0.000 0.188 265 N C 2.049 177.571 175.510 0.021 0.000 1.034 265 N CA 2.048 55.102 53.050 0.007 0.000 0.846 265 N CB -0.327 38.177 38.487 0.028 0.000 1.010 265 N HN 0.696 nan 8.380 nan 0.000 0.425 266 T N 0.003 114.585 114.554 0.047 0.000 2.759 266 T HA -0.157 4.193 4.350 0.000 0.000 0.269 266 T C 1.981 176.703 174.700 0.036 0.000 1.042 266 T CA 0.913 63.058 62.100 0.074 0.000 1.140 266 T CB -0.249 68.717 68.868 0.163 0.000 0.864 266 T HN 0.004 nan 8.240 nan 0.000 0.455 267 M N 1.440 121.032 119.600 -0.013 0.000 2.065 267 M HA 0.053 4.533 4.480 0.000 0.000 0.259 267 M C 2.118 178.403 176.300 -0.024 0.000 1.069 267 M CA 1.571 56.846 55.300 -0.042 0.000 1.110 267 M CB -0.364 32.167 32.600 -0.115 0.000 1.328 267 M HN 0.047 nan 8.290 nan 0.000 0.405 268 R N -0.072 120.414 120.500 -0.024 0.000 2.391 268 R HA 0.169 4.509 4.340 0.000 0.000 0.225 268 R C 0.768 177.068 176.300 -0.001 0.000 1.079 268 R CA 0.533 56.623 56.100 -0.016 0.000 1.147 268 R CB -0.918 29.370 30.300 -0.019 0.000 1.103 268 R HN 0.722 nan 8.270 nan 0.000 0.499 269 G N 1.122 109.927 108.800 0.009 0.000 2.258 269 G HA2 -0.298 3.662 3.960 0.000 0.000 0.274 269 G HA3 -0.298 3.662 3.960 0.000 0.000 0.274 269 G C 0.693 175.606 174.900 0.021 0.000 1.021 269 G CA 0.429 45.540 45.100 0.018 0.000 0.798 269 G HN 0.372 nan 8.290 nan 0.000 0.507 270 I N -1.178 119.405 120.570 0.022 0.000 2.130 270 I HA 0.051 4.221 4.170 0.000 0.000 0.234 270 I C 1.114 177.251 176.117 0.033 0.000 1.067 270 I CA 1.407 62.721 61.300 0.023 0.000 1.339 270 I CB -0.163 37.849 38.000 0.019 0.000 1.073 270 I HN 0.091 nan 8.210 nan 0.000 0.405 271 V N 0.562 120.502 119.914 0.044 0.000 2.686 271 V HA 0.266 4.386 4.120 0.000 0.000 0.306 271 V C -0.739 175.396 176.094 0.069 0.000 1.065 271 V CA -1.073 61.260 62.300 0.055 0.000 0.894 271 V CB 1.799 33.655 31.823 0.056 0.000 1.004 271 V HN 0.090 nan 8.190 nan 0.000 0.424 272 K N 2.772 123.213 120.400 0.070 0.000 2.349 272 K HA 0.632 4.952 4.320 0.000 0.000 0.288 272 K C -0.800 175.852 176.600 0.086 0.000 1.058 272 K CA 0.122 56.458 56.287 0.081 0.000 0.953 272 K CB 1.033 33.571 32.500 0.065 0.000 0.997 272 K HN 0.504 nan 8.250 nan 0.000 0.477 273 V N 1.629 121.611 119.914 0.113 0.000 2.808 273 V HA 0.765 4.885 4.120 0.000 0.000 0.308 273 V C -0.926 175.174 176.094 0.011 0.000 1.099 273 V CA -1.139 61.209 62.300 0.080 0.000 0.920 273 V CB 1.996 33.884 31.823 0.109 0.000 1.014 273 V HN 0.799 nan 8.190 nan 0.000 0.425 274 A N 2.675 125.362 122.820 -0.222 0.000 2.413 274 A HA 1.061 5.381 4.320 0.000 0.000 0.307 274 A C -0.497 176.720 177.584 -0.611 0.000 1.087 274 A CA -0.255 51.324 52.037 -0.764 0.000 0.750 274 A CB 2.026 20.735 19.000 -0.486 0.000 1.296 274 A HN 1.818 nan 8.150 nan 0.000 0.423 275 A N 0.422 122.715 122.820 -0.878 0.000 2.422 275 A HA 0.809 5.129 4.320 0.000 0.000 0.302 275 A C -0.733 176.770 177.584 -0.135 0.000 1.041 275 A CA -0.126 51.739 52.037 -0.286 0.000 0.708 275 A CB 1.385 20.353 19.000 -0.053 0.000 1.257 275 A HN 2.257 nan 8.150 nan 0.000 0.414 276 V N -0.770 119.134 119.914 -0.016 0.000 3.012 276 V HA 0.577 4.697 4.120 0.000 0.000 0.307 276 V C -0.453 175.697 176.094 0.094 0.000 1.166 276 V CA -1.299 61.026 62.300 0.041 0.000 0.974 276 V CB 1.330 33.164 31.823 0.018 0.000 1.040 276 V HN 0.898 nan 8.190 nan 0.000 0.428 277 K N 1.799 122.261 120.400 0.102 0.000 2.380 277 K HA 0.578 4.898 4.320 0.000 0.000 0.267 277 K C 0.520 177.224 176.600 0.175 0.000 0.990 277 K CA 0.488 56.845 56.287 0.117 0.000 0.946 277 K CB 0.815 33.375 32.500 0.099 0.000 0.937 277 K HN 1.132 nan 8.250 nan 0.000 0.491 278 A N 3.645 126.543 122.820 0.130 0.000 2.371 278 A HA 0.274 4.595 4.320 0.000 0.000 0.257 278 A C -2.148 175.509 177.584 0.122 0.000 1.089 278 A CA -1.311 50.785 52.037 0.097 0.000 0.794 278 A CB -0.176 18.844 19.000 0.034 0.000 1.029 278 A HN 0.456 nan 8.150 nan 0.000 0.488 279 P HA 0.384 nan 4.420 nan 0.000 0.276 279 P C 0.760 178.109 177.300 0.080 0.000 1.235 279 P CA 1.488 64.657 63.100 0.114 0.000 0.772 279 P CB 0.692 32.367 31.700 -0.041 0.000 0.871 280 G N 3.076 111.962 108.800 0.142 0.000 2.562 280 G HA2 -0.081 3.879 3.960 0.000 0.000 0.250 280 G HA3 -0.081 3.879 3.960 0.000 0.000 0.250 280 G C -0.679 174.397 174.900 0.294 0.000 1.269 280 G CA 0.226 45.442 45.100 0.193 0.000 0.919 280 G HN 0.756 nan 8.290 nan 0.000 0.574 281 F N -2.989 116.977 119.950 0.027 0.000 3.052 281 F HA 0.739 5.266 4.527 0.000 0.000 0.323 281 F C 1.079 176.892 175.800 0.021 0.000 1.178 281 F CA 0.720 58.735 58.000 0.024 0.000 0.892 281 F CB 0.632 39.650 39.000 0.029 0.000 1.416 281 F HN 2.542 nan 8.300 nan 0.000 0.488 282 G N 1.098 109.755 108.800 -0.239 0.000 2.550 282 G HA2 -0.283 3.677 3.960 0.000 0.000 0.277 282 G HA3 -0.283 3.677 3.960 0.000 0.000 0.277 282 G C 0.343 175.125 174.900 -0.196 0.000 1.190 282 G CA 0.652 45.552 45.100 -0.333 0.000 0.971 282 G HN 0.935 nan 8.290 nan 0.000 0.559 283 D N 1.070 121.344 120.400 -0.211 0.000 2.085 283 D HA -0.068 4.572 4.640 0.000 0.000 0.199 283 D C 2.616 178.841 176.300 -0.125 0.000 0.981 283 D CA 1.581 55.504 54.000 -0.129 0.000 0.834 283 D CB -0.144 40.591 40.800 -0.109 0.000 0.992 283 D HN 0.612 nan 8.370 nan 0.000 0.457 284 R N 1.498 121.903 120.500 -0.158 0.000 2.139 284 R HA -0.122 4.218 4.340 0.000 0.000 0.243 284 R C 2.274 178.511 176.300 -0.105 0.000 1.145 284 R CA 0.998 57.021 56.100 -0.128 0.000 0.976 284 R CB -0.585 29.631 30.300 -0.139 0.000 0.866 284 R HN 0.083 nan 8.270 nan 0.000 0.449 285 R N 1.875 122.315 120.500 -0.100 0.000 2.115 285 R HA -0.227 4.113 4.340 0.000 0.000 0.239 285 R C 1.681 177.944 176.300 -0.062 0.000 1.133 285 R CA 2.473 58.538 56.100 -0.058 0.000 0.935 285 R CB -0.174 30.117 30.300 -0.014 0.000 0.853 285 R HN 0.347 nan 8.270 nan 0.000 0.433 286 K N -0.128 120.239 120.400 -0.055 0.000 2.032 286 K HA -0.126 4.194 4.320 0.000 0.000 0.209 286 K C 2.201 178.767 176.600 -0.058 0.000 1.048 286 K CA 1.635 57.893 56.287 -0.048 0.000 0.927 286 K CB -0.252 32.225 32.500 -0.039 0.000 0.712 286 K HN 0.299 nan 8.250 nan 0.000 0.441 287 A N 1.271 124.051 122.820 -0.066 0.000 1.898 287 A HA -0.112 4.209 4.320 0.000 0.000 0.216 287 A C 2.173 179.709 177.584 -0.081 0.000 1.181 287 A CA 1.350 53.346 52.037 -0.068 0.000 0.620 287 A CB -0.422 18.537 19.000 -0.069 0.000 0.819 287 A HN 0.186 nan 8.150 nan 0.000 0.442 288 M N -1.093 118.449 119.600 -0.096 0.000 2.132 288 M HA -0.070 4.410 4.480 0.000 0.000 0.263 288 M C 2.242 178.449 176.300 -0.155 0.000 1.065 288 M CA 1.292 56.517 55.300 -0.125 0.000 1.122 288 M CB -0.330 32.190 32.600 -0.134 0.000 1.365 288 M HN 0.499 nan 8.290 nan 0.000 0.411 289 L N 0.132 121.274 121.223 -0.135 0.000 2.042 289 L HA -0.283 4.057 4.340 0.000 0.000 0.210 289 L C 2.602 179.413 176.870 -0.097 0.000 1.076 289 L CA 1.557 56.320 54.840 -0.128 0.000 0.749 289 L CB -0.323 41.686 42.059 -0.084 0.000 0.893 289 L HN 0.303 nan 8.230 nan 0.000 0.432 290 Q N 0.188 119.943 119.800 -0.076 0.000 2.096 290 Q HA -0.263 4.077 4.340 0.000 0.000 0.204 290 Q C 1.693 177.657 176.000 -0.061 0.000 0.982 290 Q CA 2.276 58.044 55.803 -0.058 0.000 0.850 290 Q CB -0.367 28.341 28.738 -0.049 0.000 0.901 290 Q HN 0.485 nan 8.270 nan 0.000 0.422 291 D N -0.126 120.229 120.400 -0.075 0.000 2.123 291 D HA -0.165 4.475 4.640 0.000 0.000 0.196 291 D C 1.934 178.190 176.300 -0.072 0.000 0.992 291 D CA 1.494 55.451 54.000 -0.071 0.000 0.833 291 D CB -0.237 40.512 40.800 -0.084 0.000 0.954 291 D HN 0.411 nan 8.370 nan 0.000 0.455 292 I N 1.236 121.746 120.570 -0.101 0.000 2.286 292 I HA -0.249 3.921 4.170 0.000 0.000 0.248 292 I C 2.528 178.615 176.117 -0.050 0.000 1.115 292 I CA 0.911 62.153 61.300 -0.097 0.000 1.392 292 I CB -0.204 37.700 38.000 -0.160 0.000 1.065 292 I HN -0.077 nan 8.210 nan 0.000 0.418 293 A N 0.721 123.515 122.820 -0.044 0.000 1.858 293 A HA -0.217 4.103 4.320 0.000 0.000 0.216 293 A C 2.413 179.989 177.584 -0.014 0.000 1.190 293 A CA 2.567 54.591 52.037 -0.021 0.000 0.617 293 A CB -1.213 17.774 19.000 -0.022 0.000 0.827 293 A HN 0.395 nan 8.150 nan 0.000 0.443 294 T N 0.652 115.193 114.554 -0.022 0.000 2.635 294 T HA -0.173 4.177 4.350 0.000 0.000 0.267 294 T C 1.832 176.525 174.700 -0.011 0.000 1.040 294 T CA 1.415 63.505 62.100 -0.016 0.000 1.156 294 T CB -0.452 68.403 68.868 -0.022 0.000 0.863 294 T HN 0.245 nan 8.240 nan 0.000 0.430 295 L N 1.868 123.082 121.223 -0.015 0.000 2.079 295 L HA -0.097 4.243 4.340 0.000 0.000 0.210 295 L C 2.327 179.197 176.870 -0.000 0.000 1.081 295 L CA 2.414 57.249 54.840 -0.008 0.000 0.752 295 L CB -1.463 40.590 42.059 -0.010 0.000 0.896 295 L HN 0.537 nan 8.230 nan 0.000 0.433 296 T N -4.522 110.034 114.554 0.003 0.000 3.069 296 T HA 0.275 4.625 4.350 0.000 0.000 0.252 296 T C 1.233 175.947 174.700 0.022 0.000 1.053 296 T CA 0.369 62.477 62.100 0.014 0.000 0.964 296 T CB 0.031 68.911 68.868 0.021 0.000 1.005 296 T HN 0.488 nan 8.240 nan 0.000 0.532 297 G N 0.681 109.491 108.800 0.015 0.000 2.295 297 G HA2 0.063 4.023 3.960 0.000 0.000 0.287 297 G HA3 0.063 4.023 3.960 0.000 0.000 0.287 297 G C 0.307 175.225 174.900 0.029 0.000 1.055 297 G CA -0.114 44.998 45.100 0.020 0.000 0.922 297 G HN 1.044 nan 8.290 nan 0.000 0.503 298 G N -1.726 107.088 108.800 0.024 0.000 2.735 298 G HA2 0.802 4.763 3.960 0.000 0.000 0.301 298 G HA3 0.802 4.763 3.960 0.000 0.000 0.301 298 G C -0.463 174.443 174.900 0.010 0.000 1.279 298 G CA 0.097 45.213 45.100 0.026 0.000 1.019 298 G HN 0.603 nan 8.290 nan 0.000 0.497 299 T N 0.385 114.943 114.554 0.006 0.000 2.797 299 T HA 0.433 4.784 4.350 0.000 0.000 0.279 299 T C 0.167 174.864 174.700 -0.005 0.000 0.991 299 T CA -0.280 61.819 62.100 -0.002 0.000 0.979 299 T CB 1.665 70.531 68.868 -0.004 0.000 0.943 299 T HN 0.362 nan 8.240 nan 0.000 0.444 300 V N 4.519 124.427 119.914 -0.010 0.000 2.585 300 V HA 0.173 4.293 4.120 0.000 0.000 0.296 300 V C 0.291 176.380 176.094 -0.009 0.000 1.035 300 V CA 0.056 62.348 62.300 -0.013 0.000 1.084 300 V CB -0.006 31.806 31.823 -0.019 0.000 0.953 300 V HN 0.755 nan 8.190 nan 0.000 0.483 301 I N 5.397 125.963 120.570 -0.007 0.000 2.412 301 I HA 0.310 4.480 4.170 0.000 0.000 0.279 301 I C 0.312 176.428 176.117 -0.002 0.000 1.063 301 I CA 0.153 61.450 61.300 -0.005 0.000 1.193 301 I CB 0.945 38.943 38.000 -0.003 0.000 1.370 301 I HN 0.749 nan 8.210 nan 0.000 0.479 302 S N 2.514 118.212 115.700 -0.004 0.000 2.621 302 S HA 0.466 4.936 4.470 0.000 0.000 0.302 302 S C 0.444 175.044 174.600 -0.001 0.000 1.093 302 S CA -0.828 57.371 58.200 -0.002 0.000 1.017 302 S CB 1.965 65.163 63.200 -0.005 0.000 1.077 302 S HN 0.553 nan 8.310 nan 0.000 0.517 303 E N 0.456 120.657 120.200 0.002 0.000 2.442 303 E HA -0.014 4.336 4.350 0.000 0.000 0.195 303 E C 0.940 177.541 176.600 0.001 0.000 1.030 303 E CA 0.407 56.808 56.400 0.002 0.000 0.869 303 E CB -0.061 29.642 29.700 0.005 0.000 0.857 303 E HN 0.784 nan 8.360 nan 0.000 0.505 304 E N 0.591 120.791 120.200 -0.000 0.000 2.418 304 E HA -0.051 4.299 4.350 0.000 0.000 0.197 304 E C 1.179 177.777 176.600 -0.003 0.000 1.026 304 E CA 0.568 56.967 56.400 -0.002 0.000 0.862 304 E CB 0.081 29.780 29.700 -0.003 0.000 0.799 304 E HN 0.358 nan 8.360 nan 0.000 0.518 305 I N -0.117 120.451 120.570 -0.004 0.000 3.941 305 I HA 0.201 4.371 4.170 0.000 0.000 0.335 305 I C 0.825 176.939 176.117 -0.004 0.000 1.402 305 I CA -0.205 61.093 61.300 -0.005 0.000 1.112 305 I CB 0.447 38.443 38.000 -0.006 0.000 1.043 305 I HN 0.046 nan 8.210 nan 0.000 0.395 306 G N 2.303 111.102 108.800 -0.002 0.000 2.314 306 G HA2 -0.265 3.695 3.960 0.000 0.000 0.292 306 G HA3 -0.265 3.695 3.960 0.000 0.000 0.292 306 G C -0.089 174.809 174.900 -0.003 0.000 1.059 306 G CA 0.094 45.192 45.100 -0.002 0.000 0.982 306 G HN 0.341 nan 8.290 nan 0.000 0.505 307 M N -0.521 119.077 119.600 -0.003 0.000 2.578 307 M HA 0.632 5.112 4.480 0.000 0.000 0.321 307 M C 0.075 176.374 176.300 -0.002 0.000 1.182 307 M CA -0.599 54.699 55.300 -0.003 0.000 0.965 307 M CB 1.952 34.550 32.600 -0.005 0.000 1.694 307 M HN 0.279 nan 8.290 nan 0.000 0.461 308 E N 1.159 121.357 120.200 -0.003 0.000 2.312 308 E HA 0.369 4.719 4.350 0.000 0.000 0.267 308 E C 0.114 176.712 176.600 -0.003 0.000 0.894 308 E CA -0.715 55.685 56.400 -0.001 0.000 0.773 308 E CB 2.159 31.858 29.700 -0.001 0.000 1.241 308 E HN 0.609 nan 8.360 nan 0.000 0.432 309 L N 0.966 122.189 121.223 -0.001 0.000 2.265 309 L HA -0.192 4.149 4.340 0.000 0.000 0.215 309 L C 1.619 178.485 176.870 -0.008 0.000 1.117 309 L CA 1.166 56.004 54.840 -0.003 0.000 0.782 309 L CB -0.375 41.686 42.059 0.002 0.000 0.914 309 L HN 0.585 nan 8.230 nan 0.000 0.441 310 E N 0.609 120.806 120.200 -0.006 0.000 2.072 310 E HA -0.135 4.215 4.350 0.000 0.000 0.191 310 E C 1.001 177.593 176.600 -0.013 0.000 0.985 310 E CA 1.060 57.455 56.400 -0.009 0.000 0.801 310 E CB -0.003 29.694 29.700 -0.006 0.000 0.750 310 E HN 0.295 nan 8.360 nan 0.000 0.452 311 K N 0.461 120.854 120.400 -0.012 0.000 3.165 311 K HA 0.400 4.720 4.320 0.000 0.000 0.259 311 K C -0.934 175.655 176.600 -0.019 0.000 1.282 311 K CA -0.222 56.056 56.287 -0.015 0.000 1.259 311 K CB 0.760 33.254 32.500 -0.011 0.000 1.546 311 K HN -0.023 nan 8.250 nan 0.000 0.384 312 A N 1.314 124.119 122.820 -0.025 0.000 2.340 312 A HA 0.325 4.645 4.320 0.000 0.000 0.297 312 A C 0.125 177.679 177.584 -0.050 0.000 1.195 312 A CA -0.727 51.291 52.037 -0.033 0.000 0.769 312 A CB 0.570 19.553 19.000 -0.029 0.000 1.163 312 A HN 0.322 nan 8.150 nan 0.000 0.472 313 T N 0.122 114.643 114.554 -0.056 0.000 2.862 313 T HA 0.484 4.834 4.350 0.000 0.000 0.276 313 T C 1.294 175.923 174.700 -0.118 0.000 0.974 313 T CA -0.650 61.403 62.100 -0.079 0.000 0.966 313 T CB 0.412 69.244 68.868 -0.061 0.000 1.072 313 T HN 0.356 nan 8.240 nan 0.000 0.538 314 L N -0.010 121.105 121.223 -0.179 0.000 2.197 314 L HA -0.125 4.215 4.340 0.000 0.000 0.215 314 L C 2.921 179.672 176.870 -0.198 0.000 1.095 314 L CA 1.656 56.307 54.840 -0.316 0.000 0.764 314 L CB -0.553 41.264 42.059 -0.403 0.000 0.897 314 L HN 0.858 nan 8.230 nan 0.000 0.436 315 E N -0.114 120.030 120.200 -0.094 0.000 2.274 315 E HA -0.187 4.163 4.350 0.000 0.000 0.194 315 E C 1.144 177.735 176.600 -0.015 0.000 0.996 315 E CA 0.775 57.157 56.400 -0.030 0.000 0.840 315 E CB 0.182 29.871 29.700 -0.018 0.000 0.772 315 E HN 0.545 nan 8.360 nan 0.000 0.491 316 D N 0.138 120.518 120.400 -0.033 0.000 2.323 316 D HA -0.036 4.604 4.640 0.000 0.000 0.209 316 D C 0.133 176.432 176.300 -0.002 0.000 0.973 316 D CA 0.259 54.249 54.000 -0.016 0.000 0.874 316 D CB 0.318 41.104 40.800 -0.024 0.000 0.930 316 D HN 0.129 nan 8.370 nan 0.000 0.521 317 L N 1.058 122.279 121.223 -0.004 0.000 2.350 317 L HA 0.317 4.657 4.340 0.000 0.000 0.275 317 L C 1.389 178.330 176.870 0.118 0.000 1.099 317 L CA -0.197 54.671 54.840 0.046 0.000 0.808 317 L CB 1.220 43.289 42.059 0.018 0.000 1.149 317 L HN -0.153 nan 8.230 nan 0.000 0.442 318 G N 1.545 110.410 108.800 0.108 0.000 2.684 318 G HA2 0.377 4.338 3.960 0.000 0.000 0.255 318 G HA3 0.377 4.338 3.960 0.000 0.000 0.255 318 G C -0.789 174.202 174.900 0.151 0.000 1.219 318 G CA -0.181 44.980 45.100 0.102 0.000 0.901 318 G HN 0.595 nan 8.290 nan 0.000 0.548 319 Q N -1.618 118.229 119.800 0.078 0.000 2.377 319 Q HA 0.601 4.941 4.340 0.000 0.000 0.279 319 Q C -0.764 175.223 176.000 -0.022 0.000 1.049 319 Q CA -0.700 55.106 55.803 0.006 0.000 0.825 319 Q CB 2.117 30.833 28.738 -0.036 0.000 1.401 319 Q HN 0.942 nan 8.270 nan 0.000 0.404 320 A N 1.890 124.677 122.820 -0.055 0.000 2.504 320 A HA 0.542 4.862 4.320 0.000 0.000 0.285 320 A C -0.597 176.949 177.584 -0.063 0.000 1.261 320 A CA -0.534 51.479 52.037 -0.040 0.000 0.741 320 A CB 1.452 20.444 19.000 -0.014 0.000 1.327 320 A HN 0.776 nan 8.150 nan 0.000 0.441 321 K N -0.826 119.548 120.400 -0.043 0.000 2.284 321 K HA 0.206 4.526 4.320 0.000 0.000 0.198 321 K C 0.305 176.882 176.600 -0.038 0.000 1.048 321 K CA 0.752 57.012 56.287 -0.046 0.000 0.987 321 K CB 0.342 32.823 32.500 -0.032 0.000 0.800 321 K HN 0.508 nan 8.250 nan 0.000 0.486 322 R N 0.015 120.500 120.500 -0.026 0.000 2.629 322 R HA 0.254 4.594 4.340 0.000 0.000 0.266 322 R C -1.784 174.511 176.300 -0.008 0.000 1.051 322 R CA -0.584 55.506 56.100 -0.018 0.000 0.895 322 R CB 2.334 32.627 30.300 -0.012 0.000 1.246 322 R HN -0.077 nan 8.270 nan 0.000 0.459 323 V N -0.755 119.156 119.914 -0.006 0.000 2.971 323 V HA 0.857 4.977 4.120 0.000 0.000 0.309 323 V C -1.200 174.890 176.094 -0.006 0.000 1.130 323 V CA -0.722 61.578 62.300 -0.000 0.000 0.964 323 V CB 2.278 34.105 31.823 0.006 0.000 1.029 323 V HN 0.416 nan 8.190 nan 0.000 0.427 324 V N 4.455 124.360 119.914 -0.016 0.000 2.760 324 V HA 0.679 4.799 4.120 0.000 0.000 0.309 324 V C -0.496 175.569 176.094 -0.047 0.000 1.077 324 V CA -0.321 61.968 62.300 -0.019 0.000 0.910 324 V CB 1.804 33.617 31.823 -0.017 0.000 1.008 324 V HN 1.174 nan 8.190 nan 0.000 0.424 325 I N 1.063 121.620 120.570 -0.021 0.000 2.534 325 I HA 0.674 4.844 4.170 0.000 0.000 0.288 325 I C -0.686 175.423 176.117 -0.013 0.000 1.077 325 I CA -0.436 60.829 61.300 -0.057 0.000 1.051 325 I CB 2.141 40.107 38.000 -0.056 0.000 1.234 325 I HN 0.473 nan 8.210 nan 0.000 0.425 326 N N 4.944 123.569 118.700 -0.125 0.000 2.566 326 N HA 0.210 4.950 4.740 0.000 0.000 0.299 326 N C 0.697 175.927 175.510 -0.467 0.000 1.277 326 N CA -0.664 52.306 53.050 -0.134 0.000 0.965 326 N CB 0.850 39.267 38.487 -0.116 0.000 1.142 326 N HN 0.703 nan 8.380 nan 0.000 0.596 327 K N 0.201 120.356 120.400 -0.408 0.000 2.144 327 K HA -0.218 4.102 4.320 0.000 0.000 0.209 327 K C -0.457 175.822 176.600 -0.536 0.000 1.047 327 K CA 2.366 58.307 56.287 -0.577 0.000 0.927 327 K CB -0.054 32.344 32.500 -0.170 0.000 0.716 327 K HN 0.633 nan 8.250 nan 0.000 0.454 328 D N -2.045 118.148 120.400 -0.344 0.000 2.783 328 D HA 0.092 4.732 4.640 0.000 0.000 0.306 328 D C -1.013 175.151 176.300 -0.226 0.000 1.633 328 D CA -0.410 53.440 54.000 -0.250 0.000 0.796 328 D CB 0.911 41.618 40.800 -0.154 0.000 1.230 328 D HN -0.151 nan 8.370 nan 0.000 0.441 329 T N 0.433 114.829 114.554 -0.265 0.000 3.078 329 T HA 0.401 4.751 4.350 0.000 0.000 0.328 329 T C -0.778 173.722 174.700 -0.333 0.000 0.987 329 T CA -0.356 61.582 62.100 -0.271 0.000 1.049 329 T CB 1.540 70.303 68.868 -0.175 0.000 1.011 329 T HN -0.081 nan 8.240 nan 0.000 0.463 330 T N 2.907 117.117 114.554 -0.572 0.000 2.837 330 T HA 0.674 5.024 4.350 0.000 0.000 0.285 330 T C 0.146 174.526 174.700 -0.534 0.000 0.984 330 T CA -0.473 61.260 62.100 -0.612 0.000 1.049 330 T CB 1.389 69.759 68.868 -0.829 0.000 0.947 330 T HN 0.590 nan 8.240 nan 0.000 0.472 331 T N 2.317 116.751 114.554 -0.200 0.000 2.971 331 T HA 0.645 4.995 4.350 0.000 0.000 0.304 331 T C -1.238 173.484 174.700 0.037 0.000 1.038 331 T CA -0.735 61.343 62.100 -0.037 0.000 1.007 331 T CB 0.382 69.225 68.868 -0.042 0.000 1.055 331 T HN 0.423 nan 8.240 nan 0.000 0.451 332 I N 5.547 126.176 120.570 0.098 0.000 2.355 332 I HA 0.477 4.647 4.170 0.000 0.000 0.288 332 I C -0.220 175.925 176.117 0.046 0.000 0.999 332 I CA -0.758 60.587 61.300 0.075 0.000 1.163 332 I CB 1.543 39.604 38.000 0.101 0.000 1.316 332 I HN 0.581 nan 8.210 nan 0.000 0.454 333 I N 5.317 125.901 120.570 0.023 0.000 2.353 333 I HA 0.288 4.458 4.170 0.000 0.000 0.293 333 I C -0.400 175.721 176.117 0.007 0.000 0.992 333 I CA -0.423 60.885 61.300 0.013 0.000 1.268 333 I CB 1.022 39.026 38.000 0.006 0.000 1.387 333 I HN 0.601 nan 8.210 nan 0.000 0.478 334 D N 4.472 124.875 120.400 0.006 0.000 4.044 334 D HA -0.098 4.542 4.640 0.000 0.000 0.242 334 D C 0.098 176.396 176.300 -0.003 0.000 1.076 334 D CA 0.953 54.953 54.000 -0.001 0.000 1.171 334 D CB -0.130 40.666 40.800 -0.006 0.000 0.866 334 D HN 0.838 nan 8.370 nan 0.000 0.413 335 G N 0.786 109.586 108.800 0.001 0.000 2.537 335 G HA2 0.408 4.368 3.960 0.000 0.000 0.273 335 G HA3 0.408 4.368 3.960 0.000 0.000 0.273 335 G C 1.285 176.183 174.900 -0.003 0.000 1.189 335 G CA -0.413 44.687 45.100 -0.000 0.000 0.881 335 G HN 0.387 nan 8.290 nan 0.000 0.535 336 V N 1.180 121.093 119.914 -0.002 0.000 3.129 336 V HA 0.089 4.209 4.120 0.000 0.000 0.259 336 V C 2.070 178.167 176.094 0.006 0.000 1.116 336 V CA 0.935 63.236 62.300 0.000 0.000 1.127 336 V CB -0.690 31.135 31.823 0.003 0.000 0.742 336 V HN 0.813 nan 8.190 nan 0.000 0.474 337 G N 1.090 109.894 108.800 0.007 0.000 2.265 337 G HA2 0.085 4.045 3.960 0.000 0.000 0.240 337 G HA3 0.085 4.045 3.960 0.000 0.000 0.240 337 G C -0.146 174.755 174.900 0.002 0.000 1.270 337 G CA -0.149 44.954 45.100 0.005 0.000 0.901 337 G HN 0.531 nan 8.290 nan 0.000 0.507 338 E N 1.806 122.007 120.200 0.002 0.000 2.331 338 E HA 0.091 4.442 4.350 0.000 0.000 0.272 338 E C 0.647 177.246 176.600 -0.002 0.000 1.036 338 E CA -0.226 56.174 56.400 0.000 0.000 0.864 338 E CB 1.555 31.256 29.700 0.001 0.000 1.035 338 E HN 0.663 nan 8.360 nan 0.000 0.408 339 E N 1.495 121.693 120.200 -0.002 0.000 2.463 339 E HA -0.208 4.142 4.350 0.000 0.000 0.201 339 E C 1.468 178.065 176.600 -0.004 0.000 1.045 339 E CA 0.643 57.041 56.400 -0.003 0.000 0.872 339 E CB -0.022 29.676 29.700 -0.003 0.000 0.797 339 E HN 0.568 nan 8.360 nan 0.000 0.538 340 A N 1.554 124.372 122.820 -0.003 0.000 1.841 340 A HA -0.054 4.266 4.320 0.000 0.000 0.214 340 A C 2.414 179.995 177.584 -0.005 0.000 1.195 340 A CA 1.457 53.492 52.037 -0.004 0.000 0.611 340 A CB -0.731 18.267 19.000 -0.003 0.000 0.835 340 A HN 0.314 nan 8.150 nan 0.000 0.443 341 A N 0.062 122.879 122.820 -0.005 0.000 1.877 341 A HA -0.098 4.223 4.320 0.000 0.000 0.216 341 A C 2.135 179.714 177.584 -0.009 0.000 1.186 341 A CA 1.614 53.647 52.037 -0.006 0.000 0.620 341 A CB -0.754 18.243 19.000 -0.005 0.000 0.822 341 A HN 0.509 nan 8.150 nan 0.000 0.443 342 I N -1.039 119.526 120.570 -0.008 0.000 2.058 342 I HA -0.321 3.849 4.170 0.000 0.000 0.235 342 I C 2.751 178.861 176.117 -0.011 0.000 1.053 342 I CA 2.002 63.296 61.300 -0.010 0.000 1.313 342 I CB -0.553 37.442 38.000 -0.008 0.000 1.039 342 I HN 0.341 nan 8.210 nan 0.000 0.396 343 Q N 1.267 121.061 119.800 -0.009 0.000 2.234 343 Q HA -0.143 4.197 4.340 0.000 0.000 0.206 343 Q C 1.944 177.938 176.000 -0.010 0.000 0.980 343 Q CA 1.921 57.718 55.803 -0.009 0.000 0.869 343 Q CB -0.698 28.036 28.738 -0.007 0.000 0.912 343 Q HN 0.561 nan 8.270 nan 0.000 0.436 344 G N 0.022 108.815 108.800 -0.010 0.000 2.484 344 G HA2 -0.335 3.625 3.960 0.000 0.000 0.215 344 G HA3 -0.335 3.625 3.960 0.000 0.000 0.215 344 G C 1.467 176.359 174.900 -0.014 0.000 1.219 344 G CA 0.874 45.968 45.100 -0.011 0.000 0.791 344 G HN 0.379 nan 8.290 nan 0.000 0.550 345 R N 0.234 120.725 120.500 -0.016 0.000 2.117 345 R HA -0.049 4.291 4.340 0.000 0.000 0.243 345 R C 2.546 178.833 176.300 -0.022 0.000 1.143 345 R CA 1.656 57.744 56.100 -0.020 0.000 0.968 345 R CB -0.941 29.346 30.300 -0.022 0.000 0.863 345 R HN 0.244 nan 8.270 nan 0.000 0.444 346 V N 0.611 120.513 119.914 -0.020 0.000 2.295 346 V HA -0.211 3.909 4.120 0.000 0.000 0.246 346 V C 2.291 178.373 176.094 -0.019 0.000 1.049 346 V CA 1.999 64.287 62.300 -0.020 0.000 1.024 346 V CB -0.960 30.853 31.823 -0.017 0.000 0.648 346 V HN 0.561 nan 8.190 nan 0.000 0.447 347 A N -1.287 121.523 122.820 -0.016 0.000 2.121 347 A HA -0.211 4.109 4.320 0.000 0.000 0.218 347 A C 2.154 179.728 177.584 -0.017 0.000 1.154 347 A CA 1.433 53.461 52.037 -0.015 0.000 0.679 347 A CB -0.334 18.659 19.000 -0.013 0.000 0.795 347 A HN 0.662 nan 8.150 nan 0.000 0.458 348 Q N -0.604 119.185 119.800 -0.019 0.000 2.033 348 Q HA -0.005 4.335 4.340 0.000 0.000 0.196 348 Q C 1.842 177.827 176.000 -0.025 0.000 0.970 348 Q CA 1.367 57.157 55.803 -0.021 0.000 0.828 348 Q CB -0.235 28.489 28.738 -0.022 0.000 0.895 348 Q HN 0.757 nan 8.270 nan 0.000 0.440 349 I N 0.394 120.947 120.570 -0.028 0.000 2.614 349 I HA -0.203 3.967 4.170 0.000 0.000 0.258 349 I C 2.370 178.469 176.117 -0.030 0.000 1.189 349 I CA 0.695 61.975 61.300 -0.033 0.000 1.462 349 I CB -0.198 37.779 38.000 -0.037 0.000 1.092 349 I HN 0.062 nan 8.210 nan 0.000 0.442 350 R N 1.083 121.568 120.500 -0.025 0.000 2.120 350 R HA -0.145 4.195 4.340 0.000 0.000 0.234 350 R C 2.048 178.335 176.300 -0.021 0.000 1.123 350 R CA 1.381 57.467 56.100 -0.022 0.000 0.975 350 R CB -0.016 30.273 30.300 -0.018 0.000 0.866 350 R HN 0.436 nan 8.270 nan 0.000 0.446 351 Q N -0.897 118.890 119.800 -0.021 0.000 2.392 351 Q HA 0.001 4.341 4.340 0.000 0.000 0.203 351 Q C 1.519 177.506 176.000 -0.022 0.000 0.917 351 Q CA 0.192 55.984 55.803 -0.019 0.000 0.939 351 Q CB 0.672 29.400 28.738 -0.016 0.000 1.063 351 Q HN 0.414 nan 8.270 nan 0.000 0.516 352 Q N 0.326 120.110 119.800 -0.027 0.000 2.083 352 Q HA -0.083 4.257 4.340 0.000 0.000 0.198 352 Q C 2.049 178.030 176.000 -0.033 0.000 0.969 352 Q CA 0.968 56.751 55.803 -0.032 0.000 0.838 352 Q CB 0.001 28.715 28.738 -0.040 0.000 0.900 352 Q HN 0.461 nan 8.270 nan 0.000 0.436 353 I N 1.501 122.051 120.570 -0.033 0.000 2.226 353 I HA -0.248 3.922 4.170 0.000 0.000 0.245 353 I C 2.176 178.280 176.117 -0.023 0.000 1.100 353 I CA 1.036 62.317 61.300 -0.031 0.000 1.374 353 I CB -0.417 37.565 38.000 -0.030 0.000 1.057 353 I HN 0.094 nan 8.210 nan 0.000 0.413 354 E N 1.367 121.555 120.200 -0.019 0.000 2.118 354 E HA -0.229 4.121 4.350 0.000 0.000 0.195 354 E C 1.529 178.122 176.600 -0.012 0.000 0.992 354 E CA 1.480 57.872 56.400 -0.014 0.000 0.804 354 E CB -0.318 29.374 29.700 -0.013 0.000 0.741 354 E HN 0.677 nan 8.360 nan 0.000 0.458 355 E N 0.033 120.224 120.200 -0.015 0.000 2.501 355 E HA 0.304 4.654 4.350 0.000 0.000 0.201 355 E C 0.001 176.593 176.600 -0.014 0.000 1.016 355 E CA -0.030 56.363 56.400 -0.012 0.000 0.920 355 E CB 0.805 30.497 29.700 -0.012 0.000 1.023 355 E HN 0.042 nan 8.360 nan 0.000 0.474 356 A N 1.915 124.724 122.820 -0.018 0.000 2.541 356 A HA 0.067 4.387 4.320 0.000 0.000 0.293 356 A C 1.390 178.970 177.584 -0.008 0.000 1.307 356 A CA -0.025 52.001 52.037 -0.019 0.000 0.978 356 A CB -0.525 18.457 19.000 -0.030 0.000 1.111 356 A HN 0.269 nan 8.150 nan 0.000 0.535 357 T N -0.018 114.535 114.554 -0.002 0.000 3.118 357 T HA 0.104 4.454 4.350 0.000 0.000 0.260 357 T C 0.971 175.679 174.700 0.013 0.000 1.139 357 T CA 0.895 62.999 62.100 0.005 0.000 1.085 357 T CB -0.083 68.788 68.868 0.006 0.000 0.934 357 T HN 0.497 nan 8.240 nan 0.000 0.518 358 S N -0.524 115.186 115.700 0.017 0.000 2.747 358 S HA 0.400 4.870 4.470 0.000 0.000 0.300 358 S C 0.299 174.919 174.600 0.035 0.000 1.121 358 S CA -0.736 57.485 58.200 0.035 0.000 0.995 358 S CB 1.488 64.722 63.200 0.055 0.000 1.113 358 S HN 0.130 nan 8.310 nan 0.000 0.547 359 D N 0.034 120.471 120.400 0.061 0.000 2.290 359 D HA 0.023 4.663 4.640 0.000 0.000 0.224 359 D C 1.393 177.742 176.300 0.081 0.000 0.967 359 D CA 0.898 54.934 54.000 0.060 0.000 0.893 359 D CB -0.409 40.430 40.800 0.065 0.000 1.037 359 D HN 0.645 nan 8.370 nan 0.000 0.477 360 Y N 2.075 122.375 120.300 -0.001 0.000 2.333 360 Y HA -0.175 4.375 4.550 0.000 0.000 0.290 360 Y C 1.262 177.158 175.900 -0.007 0.000 1.144 360 Y CA 1.576 59.676 58.100 0.000 0.000 1.228 360 Y CB -0.162 38.301 38.460 0.005 0.000 0.985 360 Y HN -0.118 nan 8.280 nan 0.000 0.542 361 D N -0.574 119.769 120.400 -0.096 0.000 2.219 361 D HA -0.112 4.528 4.640 0.000 0.000 0.205 361 D C 2.121 178.338 176.300 -0.139 0.000 0.970 361 D CA 1.005 54.919 54.000 -0.144 0.000 0.851 361 D CB -0.051 40.725 40.800 -0.040 0.000 0.943 361 D HN 0.280 nan 8.370 nan 0.000 0.488 362 R N 0.237 120.679 120.500 -0.097 0.000 2.127 362 R HA -0.055 4.285 4.340 0.000 0.000 0.217 362 R C 1.647 177.890 176.300 -0.095 0.000 1.074 362 R CA 0.664 56.719 56.100 -0.075 0.000 0.991 362 R CB 0.270 30.546 30.300 -0.040 0.000 0.895 362 R HN 0.074 nan 8.270 nan 0.000 0.450 363 E N 1.107 121.233 120.200 -0.123 0.000 2.023 363 E HA -0.208 4.142 4.350 0.000 0.000 0.196 363 E C 1.782 178.302 176.600 -0.133 0.000 1.003 363 E CA 1.181 57.514 56.400 -0.113 0.000 0.809 363 E CB -0.188 29.446 29.700 -0.109 0.000 0.755 363 E HN 0.146 nan 8.360 nan 0.000 0.449 364 K N 0.939 121.208 120.400 -0.218 0.000 2.032 364 K HA -0.071 4.249 4.320 0.000 0.000 0.209 364 K C 2.532 179.057 176.600 -0.124 0.000 1.048 364 K CA 0.779 56.956 56.287 -0.185 0.000 0.927 364 K CB -0.848 31.496 32.500 -0.260 0.000 0.712 364 K HN 0.181 nan 8.250 nan 0.000 0.441 365 L N 1.086 122.236 121.223 -0.122 0.000 2.012 365 L HA -0.240 4.100 4.340 0.000 0.000 0.210 365 L C 2.708 179.538 176.870 -0.066 0.000 1.073 365 L CA 1.440 56.228 54.840 -0.087 0.000 0.748 365 L CB -0.549 41.462 42.059 -0.079 0.000 0.891 365 L HN 0.244 nan 8.230 nan 0.000 0.431 366 Q N -0.133 119.629 119.800 -0.062 0.000 2.135 366 Q HA -0.245 4.096 4.340 0.000 0.000 0.204 366 Q C 2.144 178.120 176.000 -0.039 0.000 0.981 366 Q CA 1.699 57.474 55.803 -0.046 0.000 0.856 366 Q CB -0.092 28.620 28.738 -0.043 0.000 0.902 366 Q HN 0.519 nan 8.270 nan 0.000 0.425 367 E N 0.306 120.479 120.200 -0.044 0.000 2.058 367 E HA -0.208 4.142 4.350 0.000 0.000 0.194 367 E C 2.028 178.611 176.600 -0.027 0.000 0.997 367 E CA 1.131 57.513 56.400 -0.030 0.000 0.801 367 E CB -0.043 29.639 29.700 -0.030 0.000 0.746 367 E HN 0.274 nan 8.360 nan 0.000 0.450 368 R N 0.509 120.984 120.500 -0.041 0.000 2.096 368 R HA -0.112 4.228 4.340 0.000 0.000 0.235 368 R C 2.730 179.009 176.300 -0.034 0.000 1.127 368 R CA 1.397 57.472 56.100 -0.042 0.000 0.968 368 R CB -0.700 29.565 30.300 -0.058 0.000 0.861 368 R HN 0.231 nan 8.270 nan 0.000 0.440 369 V N -0.910 118.983 119.914 -0.034 0.000 2.407 369 V HA -0.113 4.007 4.120 0.000 0.000 0.248 369 V C 2.181 178.264 176.094 -0.019 0.000 1.055 369 V CA 1.907 64.191 62.300 -0.027 0.000 1.049 369 V CB -0.669 31.138 31.823 -0.028 0.000 0.662 369 V HN 0.256 nan 8.190 nan 0.000 0.455 370 A N 0.076 122.887 122.820 -0.016 0.000 1.930 370 A HA -0.030 4.290 4.320 0.000 0.000 0.215 370 A C 2.276 179.859 177.584 -0.002 0.000 1.176 370 A CA 1.527 53.559 52.037 -0.008 0.000 0.632 370 A CB -0.532 18.464 19.000 -0.006 0.000 0.819 370 A HN 0.580 nan 8.150 nan 0.000 0.445 371 K N -0.734 119.665 120.400 -0.002 0.000 2.209 371 K HA -0.017 4.303 4.320 0.000 0.000 0.204 371 K C 1.455 178.055 176.600 0.000 0.000 1.048 371 K CA 1.173 57.464 56.287 0.006 0.000 0.940 371 K CB -0.183 32.318 32.500 0.002 0.000 0.729 371 K HN 0.472 nan 8.250 nan 0.000 0.451 372 L N -1.164 120.053 121.223 -0.010 0.000 2.362 372 L HA 0.123 4.463 4.340 0.000 0.000 0.204 372 L C 1.891 178.756 176.870 -0.008 0.000 1.060 372 L CA 0.251 55.084 54.840 -0.012 0.000 0.827 372 L CB -0.112 41.935 42.059 -0.020 0.000 1.027 372 L HN 0.066 nan 8.230 nan 0.000 0.474 373 A N 0.257 123.072 122.820 -0.009 0.000 2.618 373 A HA 0.322 4.642 4.320 0.000 0.000 0.199 373 A C 1.729 179.311 177.584 -0.003 0.000 1.666 373 A CA 0.880 52.912 52.037 -0.007 0.000 0.621 373 A CB -1.393 17.602 19.000 -0.009 0.000 1.172 373 A HN 0.255 nan 8.150 nan 0.000 0.489 374 G N -1.620 107.179 108.800 -0.003 0.000 3.078 374 G HA2 0.433 4.393 3.960 0.000 0.000 0.163 374 G HA3 0.433 4.393 3.960 0.000 0.000 0.163 374 G C 0.494 175.396 174.900 0.003 0.000 1.894 374 G CA 0.676 45.776 45.100 -0.000 0.000 0.951 374 G HN 1.396 nan 8.290 nan 0.000 0.446 375 G N -2.647 106.156 108.800 0.004 0.000 2.827 375 G HA2 0.504 4.464 3.960 0.000 0.000 0.296 375 G HA3 0.504 4.464 3.960 0.000 0.000 0.296 375 G C -2.076 172.828 174.900 0.007 0.000 1.362 375 G CA -0.248 44.856 45.100 0.007 0.000 0.809 375 G HN 0.710 nan 8.290 nan 0.000 0.522 376 V N -0.008 119.912 119.914 0.011 0.000 2.656 376 V HA 0.801 4.921 4.120 0.000 0.000 0.307 376 V C -0.016 176.084 176.094 0.011 0.000 1.051 376 V CA -0.279 62.028 62.300 0.011 0.000 0.893 376 V CB 1.420 33.253 31.823 0.016 0.000 0.999 376 V HN 1.343 nan 8.190 nan 0.000 0.426 377 A N 4.396 127.222 122.820 0.011 0.000 2.401 377 A HA 0.937 5.257 4.320 0.000 0.000 0.310 377 A C -1.258 176.334 177.584 0.013 0.000 1.075 377 A CA -0.575 51.468 52.037 0.010 0.000 0.746 377 A CB 2.013 21.019 19.000 0.010 0.000 1.277 377 A HN 0.688 nan 8.150 nan 0.000 0.425 378 V N 2.581 122.502 119.914 0.012 0.000 2.540 378 V HA 0.429 4.549 4.120 0.000 0.000 0.302 378 V C -0.425 175.677 176.094 0.013 0.000 1.035 378 V CA -0.255 62.053 62.300 0.014 0.000 0.873 378 V CB 1.549 33.379 31.823 0.011 0.000 0.992 378 V HN 0.757 nan 8.190 nan 0.000 0.428 379 I N 4.407 124.987 120.570 0.015 0.000 2.321 379 I HA 0.396 4.566 4.170 0.000 0.000 0.291 379 I C 0.143 176.267 176.117 0.012 0.000 0.998 379 I CA -0.402 60.907 61.300 0.014 0.000 1.227 379 I CB 1.230 39.240 38.000 0.016 0.000 1.368 379 I HN 0.501 nan 8.210 nan 0.000 0.466 380 K N 6.078 126.484 120.400 0.009 0.000 2.240 380 K HA 0.482 4.802 4.320 0.000 0.000 0.271 380 K C -1.005 175.599 176.600 0.006 0.000 1.018 380 K CA -0.643 55.649 56.287 0.008 0.000 0.874 380 K CB 2.048 34.551 32.500 0.005 0.000 1.098 380 K HN 0.313 nan 8.250 nan 0.000 0.458 381 V N 2.214 122.132 119.914 0.006 0.000 2.432 381 V HA 0.331 4.451 4.120 0.000 0.000 0.275 381 V C 0.731 176.826 176.094 0.003 0.000 1.043 381 V CA -0.897 61.406 62.300 0.005 0.000 0.925 381 V CB 1.211 33.037 31.823 0.005 0.000 0.985 381 V HN 0.880 nan 8.190 nan 0.000 0.466 382 G N 2.890 111.692 108.800 0.002 0.000 2.389 382 G HA2 0.768 4.728 3.960 0.000 0.000 0.317 382 G HA3 0.768 4.728 3.960 0.000 0.000 0.317 382 G C -0.451 174.449 174.900 0.000 0.000 1.137 382 G CA 0.074 45.174 45.100 0.001 0.000 0.870 382 G HN 1.234 nan 8.290 nan 0.000 0.496 383 A N 0.209 123.029 122.820 0.000 0.000 2.602 383 A HA 0.808 5.128 4.320 0.000 0.000 0.290 383 A C 0.744 178.327 177.584 -0.001 0.000 1.114 383 A CA 0.276 52.313 52.037 -0.001 0.000 0.683 383 A CB 0.848 19.847 19.000 -0.001 0.000 1.281 383 A HN 1.666 nan 8.150 nan 0.000 0.416 384 A N -0.323 122.496 122.820 -0.002 0.000 1.903 384 A HA 0.363 4.683 4.320 0.000 0.000 0.213 384 A C 1.524 179.107 177.584 -0.001 0.000 1.185 384 A CA 2.449 54.485 52.037 -0.002 0.000 0.628 384 A CB -0.772 18.227 19.000 -0.002 0.000 0.830 384 A HN 1.667 nan 8.150 nan 0.000 0.446 385 T N -4.522 110.031 114.554 -0.002 0.000 2.765 385 T HA 0.489 4.840 4.350 0.000 0.000 0.251 385 T C 0.760 175.460 174.700 -0.001 0.000 1.027 385 T CA 0.247 62.346 62.100 -0.002 0.000 1.030 385 T CB 1.034 69.900 68.868 -0.003 0.000 1.935 385 T HN 0.133 nan 8.240 nan 0.000 0.563 386 E N -0.423 119.776 120.200 -0.001 0.000 2.444 386 E HA 0.113 4.463 4.350 0.000 0.000 0.209 386 E C 2.188 178.788 176.600 -0.000 0.000 0.806 386 E CA 0.485 56.886 56.400 0.001 0.000 1.240 386 E CB 0.670 30.372 29.700 0.003 0.000 1.238 386 E HN 0.489 nan 8.360 nan 0.000 0.591 387 V N -0.119 119.793 119.914 -0.003 0.000 2.720 387 V HA -0.177 3.943 4.120 0.000 0.000 0.256 387 V C 1.959 178.050 176.094 -0.005 0.000 1.082 387 V CA 2.141 64.438 62.300 -0.006 0.000 1.101 387 V CB -0.502 31.315 31.823 -0.010 0.000 0.693 387 V HN 0.168 nan 8.190 nan 0.000 0.479 388 E N -0.182 120.016 120.200 -0.004 0.000 2.102 388 E HA -0.137 4.213 4.350 0.000 0.000 0.190 388 E C 2.096 178.695 176.600 -0.003 0.000 0.971 388 E CA 0.975 57.373 56.400 -0.004 0.000 0.821 388 E CB -0.121 29.577 29.700 -0.004 0.000 0.777 388 E HN 0.505 nan 8.360 nan 0.000 0.460 389 M N 1.467 121.067 119.600 -0.001 0.000 2.082 389 M HA -0.204 4.276 4.480 0.000 0.000 0.258 389 M C 1.879 178.179 176.300 0.001 0.000 1.069 389 M CA 1.838 57.139 55.300 0.001 0.000 1.102 389 M CB -0.069 32.533 32.600 0.003 0.000 1.336 389 M HN -0.099 nan 8.290 nan 0.000 0.404 390 K N -0.555 119.846 120.400 0.001 0.000 2.002 390 K HA -0.240 4.080 4.320 0.000 0.000 0.209 390 K C 1.949 178.548 176.600 -0.003 0.000 1.048 390 K CA 1.920 58.209 56.287 0.002 0.000 0.930 390 K CB -0.301 32.202 32.500 0.004 0.000 0.714 390 K HN 0.552 nan 8.250 nan 0.000 0.438 391 E N 1.316 121.513 120.200 -0.005 0.000 2.058 391 E HA -0.269 4.081 4.350 0.000 0.000 0.194 391 E C 1.849 178.444 176.600 -0.008 0.000 0.997 391 E CA 1.846 58.242 56.400 -0.008 0.000 0.801 391 E CB -0.057 29.638 29.700 -0.009 0.000 0.746 391 E HN 0.073 nan 8.360 nan 0.000 0.450 392 K N 0.866 121.263 120.400 -0.006 0.000 2.002 392 K HA -0.133 4.187 4.320 0.000 0.000 0.209 392 K C 2.197 178.793 176.600 -0.006 0.000 1.048 392 K CA 1.881 58.165 56.287 -0.006 0.000 0.930 392 K CB -0.247 32.251 32.500 -0.004 0.000 0.714 392 K HN 0.109 nan 8.250 nan 0.000 0.438 393 K N -0.235 120.163 120.400 -0.003 0.000 2.059 393 K HA -0.207 4.113 4.320 0.000 0.000 0.212 393 K C 1.955 178.549 176.600 -0.010 0.000 1.050 393 K CA 1.643 57.929 56.287 -0.002 0.000 0.927 393 K CB -0.397 32.103 32.500 0.002 0.000 0.714 393 K HN 0.295 nan 8.250 nan 0.000 0.447 394 A N 0.897 123.708 122.820 -0.015 0.000 2.024 394 A HA -0.196 4.124 4.320 0.000 0.000 0.220 394 A C 2.041 179.603 177.584 -0.037 0.000 1.164 394 A CA 1.588 53.608 52.037 -0.028 0.000 0.643 394 A CB -0.367 18.619 19.000 -0.024 0.000 0.806 394 A HN 0.320 nan 8.150 nan 0.000 0.451 395 R N -1.076 119.409 120.500 -0.024 0.000 2.066 395 R HA 0.012 4.352 4.340 0.000 0.000 0.224 395 R C 2.028 178.316 176.300 -0.021 0.000 1.122 395 R CA 1.176 57.262 56.100 -0.024 0.000 0.974 395 R CB -0.349 29.942 30.300 -0.015 0.000 0.871 395 R HN 0.357 nan 8.270 nan 0.000 0.435 396 V N 1.726 121.633 119.914 -0.011 0.000 2.469 396 V HA -0.248 3.872 4.120 0.000 0.000 0.251 396 V C 2.153 178.248 176.094 0.001 0.000 1.064 396 V CA 1.672 63.972 62.300 -0.000 0.000 1.066 396 V CB -0.491 31.335 31.823 0.006 0.000 0.667 396 V HN 0.301 nan 8.190 nan 0.000 0.461 397 E N 0.353 120.542 120.200 -0.019 0.000 2.038 397 E HA -0.254 4.096 4.350 0.000 0.000 0.195 397 E C 2.024 178.544 176.600 -0.134 0.000 1.000 397 E CA 1.868 58.240 56.400 -0.048 0.000 0.803 397 E CB -0.372 29.279 29.700 -0.082 0.000 0.750 397 E HN 0.648 nan 8.360 nan 0.000 0.448 398 D N 0.326 120.639 120.400 -0.145 0.000 2.092 398 D HA -0.143 4.497 4.640 0.000 0.000 0.193 398 D C 1.849 178.126 176.300 -0.039 0.000 0.994 398 D CA 1.868 55.782 54.000 -0.144 0.000 0.828 398 D CB -0.243 40.506 40.800 -0.085 0.000 0.963 398 D HN 0.196 nan 8.370 nan 0.000 0.450 399 A N 0.658 123.475 122.820 -0.004 0.000 1.908 399 A HA -0.155 4.165 4.320 0.000 0.000 0.218 399 A C 2.096 179.720 177.584 0.066 0.000 1.181 399 A CA 0.911 52.964 52.037 0.027 0.000 0.627 399 A CB -0.795 18.216 19.000 0.018 0.000 0.818 399 A HN 0.306 nan 8.150 nan 0.000 0.445 400 L N -0.895 120.382 121.223 0.089 0.000 2.127 400 L HA -0.195 4.145 4.340 0.000 0.000 0.211 400 L C 2.155 179.147 176.870 0.203 0.000 1.089 400 L CA 2.366 57.285 54.840 0.132 0.000 0.757 400 L CB -1.107 41.037 42.059 0.141 0.000 0.899 400 L HN 0.518 nan 8.230 nan 0.000 0.434 401 H N -0.708 118.369 119.070 0.013 0.000 2.384 401 H HA 0.131 4.687 4.556 0.000 0.000 0.300 401 H C 2.176 177.514 175.328 0.016 0.000 1.057 401 H CA 1.158 57.215 56.048 0.016 0.000 1.370 401 H CB -0.203 29.570 29.762 0.018 0.000 1.417 401 H HN 0.358 nan 8.280 nan 0.000 0.527 402 A N 0.402 123.318 122.820 0.159 0.000 1.933 402 A HA -0.179 4.142 4.320 0.000 0.000 0.218 402 A C 2.457 180.079 177.584 0.062 0.000 1.175 402 A CA 2.144 54.236 52.037 0.091 0.000 0.628 402 A CB -1.003 18.033 19.000 0.059 0.000 0.814 402 A HN 0.597 nan 8.150 nan 0.000 0.444 403 T N -1.832 112.756 114.554 0.057 0.000 2.737 403 T HA -0.155 4.195 4.350 0.000 0.000 0.265 403 T C 1.905 176.622 174.700 0.028 0.000 1.038 403 T CA 1.065 63.187 62.100 0.036 0.000 1.144 403 T CB -0.445 68.442 68.868 0.031 0.000 0.866 403 T HN 0.438 nan 8.240 nan 0.000 0.434 404 R N 1.544 122.060 120.500 0.027 0.000 2.211 404 R HA 0.052 4.392 4.340 0.000 0.000 0.240 404 R C 2.707 179.009 176.300 0.003 0.000 1.144 404 R CA 1.290 57.390 56.100 0.000 0.000 0.992 404 R CB -0.781 29.497 30.300 -0.036 0.000 0.869 404 R HN 0.624 nan 8.270 nan 0.000 0.462 405 A N 0.985 123.817 122.820 0.020 0.000 1.878 405 A HA 0.111 4.432 4.320 0.000 0.000 0.213 405 A C 2.404 180.000 177.584 0.019 0.000 1.192 405 A CA 1.019 53.069 52.037 0.023 0.000 0.619 405 A CB -0.476 18.549 19.000 0.041 0.000 0.837 405 A HN 0.288 nan 8.150 nan 0.000 0.446 406 A N -0.258 122.575 122.820 0.022 0.000 1.903 406 A HA -0.128 4.192 4.320 0.000 0.000 0.219 406 A C 2.223 179.814 177.584 0.011 0.000 1.191 406 A CA 2.143 54.190 52.037 0.017 0.000 0.638 406 A CB -1.083 17.928 19.000 0.018 0.000 0.823 406 A HN 0.430 nan 8.150 nan 0.000 0.451 407 V N 0.894 120.814 119.914 0.009 0.000 2.358 407 V HA -0.250 3.870 4.120 0.000 0.000 0.246 407 V C 2.525 178.621 176.094 0.003 0.000 1.047 407 V CA 2.289 64.592 62.300 0.005 0.000 1.035 407 V CB -0.809 31.016 31.823 0.003 0.000 0.658 407 V HN 0.937 nan 8.190 nan 0.000 0.452 408 E N -0.266 119.935 120.200 0.002 0.000 2.371 408 E HA -0.121 4.229 4.350 0.000 0.000 0.194 408 E C 1.687 178.289 176.600 0.003 0.000 1.012 408 E CA 1.124 57.524 56.400 0.001 0.000 0.860 408 E CB 0.114 29.813 29.700 -0.002 0.000 0.811 408 E HN 0.672 nan 8.360 nan 0.000 0.502 409 E N -0.155 120.048 120.200 0.006 0.000 2.712 409 E HA 0.213 4.563 4.350 0.000 0.000 0.221 409 E C 0.011 176.615 176.600 0.006 0.000 0.943 409 E CA 0.269 56.673 56.400 0.005 0.000 1.259 409 E CB 1.261 30.965 29.700 0.006 0.000 1.167 409 E HN 0.334 nan 8.360 nan 0.000 0.569 410 G N 0.591 109.396 108.800 0.008 0.000 2.710 410 G HA2 -0.159 3.801 3.960 0.000 0.000 0.668 410 G HA3 -0.159 3.801 3.960 0.000 0.000 0.668 410 G C -0.512 174.395 174.900 0.011 0.000 1.320 410 G CA -0.486 44.620 45.100 0.009 0.000 0.860 410 G HN 0.621 nan 8.290 nan 0.000 0.538 411 V N -2.458 117.463 119.914 0.011 0.000 3.001 411 V HA 0.995 5.115 4.120 0.000 0.000 0.314 411 V C 0.592 176.694 176.094 0.013 0.000 1.099 411 V CA 0.133 62.441 62.300 0.013 0.000 0.989 411 V CB 1.395 33.226 31.823 0.013 0.000 1.040 411 V HN 2.508 nan 8.190 nan 0.000 0.434 412 V N -0.785 119.137 119.914 0.015 0.000 3.167 412 V HA 1.008 5.128 4.120 0.000 0.000 0.310 412 V C 0.404 176.509 176.094 0.018 0.000 1.207 412 V CA -0.702 61.608 62.300 0.017 0.000 1.059 412 V CB 1.335 33.168 31.823 0.016 0.000 1.079 412 V HN 2.125 nan 8.190 nan 0.000 0.446 413 A N 1.043 123.876 122.820 0.022 0.000 2.522 413 A HA 0.625 4.945 4.320 0.000 0.000 0.256 413 A C 0.907 178.503 177.584 0.021 0.000 1.086 413 A CA 0.609 52.661 52.037 0.024 0.000 0.763 413 A CB -0.707 18.312 19.000 0.033 0.000 1.024 413 A HN 2.016 nan 8.150 nan 0.000 0.502 414 G N 0.929 109.738 108.800 0.014 0.000 2.570 414 G HA2 0.504 4.464 3.960 0.000 0.000 0.276 414 G HA3 0.504 4.464 3.960 0.000 0.000 0.276 414 G C 1.193 176.101 174.900 0.014 0.000 1.346 414 G CA 0.055 45.161 45.100 0.011 0.000 1.034 414 G HN 2.276 nan 8.290 nan 0.000 0.512 415 G N -2.193 106.615 108.800 0.013 0.000 2.153 415 G HA2 0.197 4.157 3.960 0.000 0.000 0.252 415 G HA3 0.197 4.157 3.960 0.000 0.000 0.252 415 G C 1.464 176.384 174.900 0.033 0.000 0.994 415 G CA 1.021 46.134 45.100 0.023 0.000 0.698 415 G HN 2.492 nan 8.290 nan 0.000 0.521 416 G N -1.863 106.953 108.800 0.027 0.000 2.321 416 G HA2 -0.078 3.882 3.960 0.000 0.000 0.287 416 G HA3 -0.078 3.882 3.960 0.000 0.000 0.287 416 G C 1.725 176.644 174.900 0.031 0.000 1.018 416 G CA 1.790 46.906 45.100 0.027 0.000 0.855 416 G HN 2.140 nan 8.290 nan 0.000 0.507 417 V N -0.806 119.128 119.914 0.034 0.000 2.379 417 V HA 0.206 4.326 4.120 0.000 0.000 0.245 417 V C 2.903 179.019 176.094 0.037 0.000 1.044 417 V CA 2.262 64.587 62.300 0.040 0.000 1.036 417 V CB -0.587 31.263 31.823 0.046 0.000 0.664 417 V HN 1.431 nan 8.190 nan 0.000 0.453 418 A N 0.465 123.304 122.820 0.032 0.000 1.909 418 A HA -0.282 4.038 4.320 0.000 0.000 0.221 418 A C 2.180 179.778 177.584 0.024 0.000 1.223 418 A CA 2.711 54.764 52.037 0.027 0.000 0.658 418 A CB -1.048 17.965 19.000 0.022 0.000 0.831 418 A HN 0.576 nan 8.150 nan 0.000 0.462 419 L N -0.133 121.103 121.223 0.022 0.000 2.012 419 L HA -0.177 4.163 4.340 0.000 0.000 0.210 419 L C 2.461 179.344 176.870 0.021 0.000 1.073 419 L CA 1.567 56.418 54.840 0.019 0.000 0.748 419 L CB -0.575 41.495 42.059 0.018 0.000 0.891 419 L HN 0.424 nan 8.230 nan 0.000 0.431 420 I N -0.937 119.649 120.570 0.026 0.000 2.248 420 I HA -0.319 3.851 4.170 0.000 0.000 0.248 420 I C 2.552 178.686 176.117 0.029 0.000 1.107 420 I CA 1.194 62.511 61.300 0.028 0.000 1.373 420 I CB -0.819 37.203 38.000 0.037 0.000 1.055 420 I HN 0.348 nan 8.210 nan 0.000 0.418 421 R N 0.523 121.042 120.500 0.032 0.000 2.073 421 R HA -0.074 4.266 4.340 0.000 0.000 0.229 421 R C 2.350 178.663 176.300 0.022 0.000 1.120 421 R CA 1.353 57.472 56.100 0.031 0.000 0.967 421 R CB -1.226 29.095 30.300 0.036 0.000 0.862 421 R HN 0.462 nan 8.270 nan 0.000 0.436 422 V N -0.029 119.896 119.914 0.018 0.000 2.427 422 V HA -0.060 4.060 4.120 0.000 0.000 0.248 422 V C 2.214 178.315 176.094 0.011 0.000 1.051 422 V CA 1.845 64.153 62.300 0.013 0.000 1.048 422 V CB -0.787 31.041 31.823 0.009 0.000 0.666 422 V HN 0.196 nan 8.190 nan 0.000 0.456 423 A N 1.604 124.431 122.820 0.013 0.000 1.927 423 A HA -0.236 4.084 4.320 0.000 0.000 0.220 423 A C 2.574 180.165 177.584 0.011 0.000 1.185 423 A CA 3.165 55.209 52.037 0.012 0.000 0.639 423 A CB -1.216 17.792 19.000 0.013 0.000 0.820 423 A HN 1.066 nan 8.150 nan 0.000 0.451 424 S N -0.812 114.897 115.700 0.014 0.000 2.461 424 S HA -0.021 4.450 4.470 0.000 0.000 0.228 424 S C 1.697 176.303 174.600 0.010 0.000 1.005 424 S CA 1.121 59.328 58.200 0.012 0.000 0.942 424 S CB -0.146 63.063 63.200 0.015 0.000 0.776 424 S HN 0.553 nan 8.310 nan 0.000 0.514 425 K N 1.221 121.627 120.400 0.010 0.000 2.147 425 K HA 0.149 4.469 4.320 0.000 0.000 0.205 425 K C 1.199 177.802 176.600 0.006 0.000 1.049 425 K CA 1.041 57.333 56.287 0.008 0.000 0.936 425 K CB -0.326 32.178 32.500 0.008 0.000 0.722 425 K HN 0.411 nan 8.250 nan 0.000 0.446 426 L N -0.284 120.942 121.223 0.006 0.000 2.685 426 L HA 0.238 4.579 4.340 0.000 0.000 0.233 426 L C 1.637 178.509 176.870 0.004 0.000 1.173 426 L CA -0.304 54.538 54.840 0.004 0.000 0.961 426 L CB 0.072 42.133 42.059 0.003 0.000 1.217 426 L HN 0.070 nan 8.230 nan 0.000 0.478 427 A N 0.012 122.835 122.820 0.004 0.000 2.084 427 A HA -0.196 4.124 4.320 0.000 0.000 0.221 427 A C 1.483 179.068 177.584 0.003 0.000 1.161 427 A CA 1.675 53.715 52.037 0.004 0.000 0.653 427 A CB -0.215 18.787 19.000 0.004 0.000 0.802 427 A HN 0.351 nan 8.150 nan 0.000 0.457 428 D N -1.124 119.277 120.400 0.002 0.000 2.368 428 D HA 0.205 4.845 4.640 0.000 0.000 0.218 428 D C -0.303 175.998 176.300 0.002 0.000 1.112 428 D CA -0.225 53.776 54.000 0.002 0.000 0.834 428 D CB 0.112 40.913 40.800 0.001 0.000 0.953 428 D HN 0.257 nan 8.370 nan 0.000 0.505 429 L N 1.804 123.028 121.223 0.002 0.000 2.361 429 L HA 0.197 4.537 4.340 0.000 0.000 0.278 429 L C 0.369 177.240 176.870 0.002 0.000 1.113 429 L CA 0.328 55.169 54.840 0.001 0.000 0.849 429 L CB 0.088 42.148 42.059 0.002 0.000 1.155 429 L HN -0.196 nan 8.230 nan 0.000 0.452 430 R N 2.700 123.201 120.500 0.001 0.000 2.939 430 R HA 0.759 5.099 4.340 0.000 0.000 0.254 430 R C -0.158 176.143 176.300 0.002 0.000 1.123 430 R CA -0.573 55.528 56.100 0.001 0.000 1.020 430 R CB 1.410 31.711 30.300 0.001 0.000 1.206 430 R HN 0.768 nan 8.270 nan 0.000 0.491 431 G N -0.428 108.373 108.800 0.002 0.000 3.119 431 G HA2 0.193 4.153 3.960 0.000 0.000 0.206 431 G HA3 0.193 4.153 3.960 0.000 0.000 0.206 431 G C -0.121 174.780 174.900 0.002 0.000 1.313 431 G CA -0.360 44.741 45.100 0.002 0.000 1.010 431 G HN 0.453 nan 8.290 nan 0.000 0.578 432 Q N 0.121 119.923 119.800 0.002 0.000 2.403 432 Q HA 0.193 4.533 4.340 0.000 0.000 0.203 432 Q C 0.349 176.350 176.000 0.002 0.000 0.932 432 Q CA 0.194 55.998 55.803 0.002 0.000 0.945 432 Q CB 0.055 28.794 28.738 0.002 0.000 1.045 432 Q HN 0.557 nan 8.270 nan 0.000 0.511 433 N N -1.495 117.206 118.700 0.002 0.000 3.356 433 N HA -0.049 4.691 4.740 0.000 0.000 0.246 433 N C -0.014 175.498 175.510 0.002 0.000 1.480 433 N CA -0.330 52.721 53.050 0.002 0.000 0.877 433 N CB 0.828 39.316 38.487 0.002 0.000 1.431 433 N HN -0.143 nan 8.380 nan 0.000 0.500 434 E N 0.268 120.469 120.200 0.002 0.000 2.077 434 E HA -0.117 4.233 4.350 0.000 0.000 0.193 434 E C 0.595 177.196 176.600 0.002 0.000 0.989 434 E CA 1.975 58.376 56.400 0.002 0.000 0.800 434 E CB -0.321 29.380 29.700 0.001 0.000 0.746 434 E HN 0.537 nan 8.360 nan 0.000 0.452 435 D N 0.186 120.588 120.400 0.003 0.000 2.149 435 D HA -0.177 4.463 4.640 0.000 0.000 0.198 435 D C 1.896 178.199 176.300 0.004 0.000 0.990 435 D CA 1.029 55.031 54.000 0.003 0.000 0.839 435 D CB -0.248 40.555 40.800 0.004 0.000 0.948 435 D HN 0.398 nan 8.370 nan 0.000 0.460 436 Q N 0.017 119.819 119.800 0.004 0.000 2.170 436 Q HA -0.116 4.224 4.340 0.000 0.000 0.203 436 Q C 1.761 177.764 176.000 0.003 0.000 0.976 436 Q CA 0.764 56.570 55.803 0.004 0.000 0.858 436 Q CB -0.020 28.720 28.738 0.003 0.000 0.907 436 Q HN 0.254 nan 8.270 nan 0.000 0.433 437 N N 0.068 118.770 118.700 0.003 0.000 2.106 437 N HA -0.122 4.618 4.740 0.000 0.000 0.188 437 N C 1.868 177.380 175.510 0.003 0.000 1.029 437 N CA 1.050 54.101 53.050 0.003 0.000 0.848 437 N CB -0.485 38.003 38.487 0.002 0.000 1.007 437 N HN 0.020 nan 8.380 nan 0.000 0.423 438 V N 0.803 120.719 119.914 0.003 0.000 2.380 438 V HA -0.191 3.929 4.120 0.000 0.000 0.251 438 V C 2.355 178.452 176.094 0.004 0.000 1.063 438 V CA 2.045 64.347 62.300 0.004 0.000 1.055 438 V CB -1.328 30.497 31.823 0.004 0.000 0.657 438 V HN 0.391 nan 8.190 nan 0.000 0.455 439 G N -0.493 108.310 108.800 0.005 0.000 2.432 439 G HA2 -0.187 3.773 3.960 0.000 0.000 0.219 439 G HA3 -0.187 3.773 3.960 0.000 0.000 0.219 439 G C 1.545 176.448 174.900 0.005 0.000 1.135 439 G CA 0.904 46.007 45.100 0.006 0.000 0.767 439 G HN 0.504 nan 8.290 nan 0.000 0.550 440 I N -0.247 120.326 120.570 0.004 0.000 2.206 440 I HA -0.027 4.143 4.170 0.000 0.000 0.239 440 I C 2.701 178.821 176.117 0.004 0.000 1.078 440 I CA 0.891 62.193 61.300 0.004 0.000 1.367 440 I CB -0.086 37.916 38.000 0.003 0.000 1.078 440 I HN -0.036 nan 8.210 nan 0.000 0.413 441 K N 0.669 121.071 120.400 0.004 0.000 2.113 441 K HA -0.147 4.173 4.320 0.000 0.000 0.208 441 K C 1.901 178.504 176.600 0.005 0.000 1.047 441 K CA 1.104 57.394 56.287 0.004 0.000 0.928 441 K CB -0.627 31.876 32.500 0.004 0.000 0.716 441 K HN 0.115 nan 8.250 nan 0.000 0.446 442 V N 0.337 120.254 119.914 0.006 0.000 2.343 442 V HA -0.288 3.832 4.120 0.000 0.000 0.247 442 V C 2.171 178.269 176.094 0.007 0.000 1.051 442 V CA 2.062 64.366 62.300 0.007 0.000 1.036 442 V CB -0.705 31.122 31.823 0.007 0.000 0.654 442 V HN 0.411 nan 8.190 nan 0.000 0.451 443 A N -0.287 122.537 122.820 0.007 0.000 1.898 443 A HA -0.119 4.201 4.320 0.000 0.000 0.216 443 A C 2.169 179.757 177.584 0.007 0.000 1.181 443 A CA 1.665 53.706 52.037 0.007 0.000 0.620 443 A CB -0.487 18.516 19.000 0.006 0.000 0.819 443 A HN 0.516 nan 8.150 nan 0.000 0.442 444 L N -1.300 119.927 121.223 0.006 0.000 2.046 444 L HA -0.142 4.198 4.340 0.000 0.000 0.208 444 L C 2.747 179.622 176.870 0.008 0.000 1.077 444 L CA 1.728 56.572 54.840 0.007 0.000 0.747 444 L CB -0.499 41.564 42.059 0.006 0.000 0.896 444 L HN 0.359 nan 8.230 nan 0.000 0.432 445 R N 0.222 120.726 120.500 0.008 0.000 2.148 445 R HA -0.084 4.256 4.340 0.000 0.000 0.227 445 R C 2.124 178.429 176.300 0.009 0.000 1.103 445 R CA 1.060 57.165 56.100 0.008 0.000 0.983 445 R CB -0.089 30.215 30.300 0.006 0.000 0.874 445 R HN 0.363 nan 8.270 nan 0.000 0.451 446 A N -0.453 122.373 122.820 0.009 0.000 2.178 446 A HA 0.013 4.333 4.320 0.000 0.000 0.211 446 A C 1.779 179.370 177.584 0.012 0.000 1.157 446 A CA 0.309 52.353 52.037 0.011 0.000 0.780 446 A CB -0.072 18.935 19.000 0.012 0.000 0.828 446 A HN 0.268 nan 8.150 nan 0.000 0.476 447 M N -0.599 119.008 119.600 0.012 0.000 2.492 447 M HA -0.028 4.452 4.480 0.000 0.000 0.262 447 M C 1.393 177.702 176.300 0.015 0.000 1.090 447 M CA 0.807 56.115 55.300 0.013 0.000 1.110 447 M CB 0.007 32.614 32.600 0.012 0.000 1.407 447 M HN 0.437 nan 8.290 nan 0.000 0.470 448 E N -0.081 120.127 120.200 0.014 0.000 2.427 448 E HA -0.061 4.289 4.350 0.000 0.000 0.196 448 E C 1.912 178.520 176.600 0.014 0.000 1.028 448 E CA 0.580 56.989 56.400 0.014 0.000 0.864 448 E CB 0.023 29.730 29.700 0.011 0.000 0.813 448 E HN 0.507 nan 8.360 nan 0.000 0.514 449 A N 2.107 124.935 122.820 0.013 0.000 1.933 449 A HA -0.094 4.226 4.320 0.000 0.000 0.218 449 A C -0.337 177.256 177.584 0.015 0.000 1.175 449 A CA 0.955 53.000 52.037 0.013 0.000 0.628 449 A CB -1.190 17.818 19.000 0.013 0.000 0.814 449 A HN 0.137 nan 8.150 nan 0.000 0.444 450 P HA -0.157 nan 4.420 nan 0.000 0.215 450 P C 1.786 179.100 177.300 0.023 0.000 1.157 450 P CA 0.694 63.806 63.100 0.020 0.000 0.868 450 P CB -0.125 31.588 31.700 0.022 0.000 0.788 451 L N 0.038 121.276 121.223 0.025 0.000 2.079 451 L HA -0.162 4.178 4.340 0.000 0.000 0.210 451 L C 2.049 178.931 176.870 0.019 0.000 1.081 451 L CA 2.064 56.922 54.840 0.031 0.000 0.752 451 L CB -0.860 41.219 42.059 0.033 0.000 0.896 451 L HN -0.030 nan 8.230 nan 0.000 0.433 452 R N -0.939 119.567 120.500 0.010 0.000 2.075 452 R HA -0.147 4.193 4.340 0.000 0.000 0.232 452 R C 2.229 178.530 176.300 0.002 0.000 1.126 452 R CA 1.125 57.225 56.100 0.000 0.000 0.963 452 R CB -0.171 30.129 30.300 -0.000 0.000 0.858 452 R HN 0.469 nan 8.270 nan 0.000 0.435 453 Q N 0.583 120.389 119.800 0.009 0.000 2.123 453 Q HA -0.039 4.301 4.340 0.000 0.000 0.199 453 Q C 2.230 178.239 176.000 0.016 0.000 0.966 453 Q CA 1.122 56.931 55.803 0.011 0.000 0.845 453 Q CB 0.000 28.745 28.738 0.012 0.000 0.907 453 Q HN 0.402 nan 8.270 nan 0.000 0.439 454 I N 0.091 120.676 120.570 0.024 0.000 2.163 454 I HA -0.281 3.889 4.170 0.000 0.000 0.243 454 I C 2.250 178.396 176.117 0.048 0.000 1.085 454 I CA 0.962 62.283 61.300 0.036 0.000 1.347 454 I CB -0.276 37.752 38.000 0.046 0.000 1.044 454 I HN -0.016 nan 8.210 nan 0.000 0.408 455 V N 0.555 120.493 119.914 0.040 0.000 2.490 455 V HA -0.252 3.868 4.120 0.000 0.000 0.250 455 V C 2.252 178.350 176.094 0.006 0.000 1.061 455 V CA 1.548 63.860 62.300 0.019 0.000 1.064 455 V CB -0.366 31.418 31.823 -0.065 0.000 0.670 455 V HN 0.378 nan 8.190 nan 0.000 0.461 456 L N 0.174 121.399 121.223 0.004 0.000 2.179 456 L HA -0.008 4.332 4.340 0.000 0.000 0.208 456 L C 1.939 178.812 176.870 0.006 0.000 1.096 456 L CA 1.771 56.611 54.840 -0.000 0.000 0.779 456 L CB -0.715 41.344 42.059 -0.001 0.000 0.922 456 L HN 0.335 nan 8.230 nan 0.000 0.443 457 N N -1.692 117.014 118.700 0.011 0.000 2.520 457 N HA -0.163 4.577 4.740 0.000 0.000 0.185 457 N C 1.291 176.810 175.510 0.015 0.000 1.068 457 N CA 0.973 54.030 53.050 0.011 0.000 0.911 457 N CB -0.179 38.315 38.487 0.011 0.000 0.961 457 N HN 0.403 nan 8.380 nan 0.000 0.446 458 C N -0.012 119.302 119.300 0.024 0.000 2.626 458 C HA 0.235 4.695 4.460 0.000 0.000 0.266 458 C C 1.750 176.751 174.990 0.019 0.000 1.317 458 C CA 0.039 59.074 59.018 0.029 0.000 1.716 458 C CB -1.123 26.653 27.740 0.060 0.000 1.819 458 C HN 0.639 nan 8.230 nan 0.000 0.578 459 G N 1.399 110.205 108.800 0.011 0.000 2.153 459 G HA2 -0.218 3.742 3.960 0.000 0.000 0.252 459 G HA3 -0.218 3.742 3.960 0.000 0.000 0.252 459 G C -0.253 174.649 174.900 0.003 0.000 0.994 459 G CA 0.303 45.406 45.100 0.006 0.000 0.698 459 G HN 0.644 nan 8.290 nan 0.000 0.521 460 E N 0.004 120.204 120.200 -0.001 0.000 2.264 460 E HA 0.451 4.801 4.350 0.000 0.000 0.260 460 E C -0.187 176.391 176.600 -0.037 0.000 0.961 460 E CA -0.905 55.484 56.400 -0.019 0.000 0.834 460 E CB 1.033 30.717 29.700 -0.027 0.000 1.230 460 E HN 0.378 nan 8.360 nan 0.000 0.412 461 E N 2.050 122.223 120.200 -0.045 0.000 2.217 461 E HA 0.056 4.406 4.350 0.000 0.000 0.279 461 E C -1.944 174.622 176.600 -0.056 0.000 1.068 461 E CA -1.494 54.883 56.400 -0.038 0.000 0.882 461 E CB 0.840 30.523 29.700 -0.028 0.000 1.039 461 E HN 0.276 nan 8.360 nan 0.000 0.418 462 P HA -0.152 nan 4.420 nan 0.000 0.214 462 P C 1.541 178.815 177.300 -0.044 0.000 1.167 462 P CA 0.991 64.062 63.100 -0.049 0.000 0.882 462 P CB 0.075 31.759 31.700 -0.027 0.000 0.777 463 S N 0.157 115.840 115.700 -0.027 0.000 2.406 463 S HA -0.240 4.230 4.470 0.000 0.000 0.242 463 S C 2.080 176.664 174.600 -0.026 0.000 1.079 463 S CA 2.203 60.391 58.200 -0.021 0.000 1.133 463 S CB -2.134 61.058 63.200 -0.014 0.000 1.005 463 S HN -0.047 nan 8.310 nan 0.000 0.443 464 V N 1.544 121.440 119.914 -0.030 0.000 2.295 464 V HA -0.149 3.971 4.120 0.000 0.000 0.246 464 V C 2.648 178.723 176.094 -0.032 0.000 1.049 464 V CA 1.780 64.064 62.300 -0.027 0.000 1.024 464 V CB -0.813 30.998 31.823 -0.019 0.000 0.648 464 V HN 0.475 nan 8.190 nan 0.000 0.447 465 V N 0.040 119.908 119.914 -0.077 0.000 2.261 465 V HA -0.272 3.848 4.120 0.000 0.000 0.246 465 V C 2.695 178.771 176.094 -0.029 0.000 1.047 465 V CA 2.138 64.378 62.300 -0.099 0.000 1.015 465 V CB -1.092 30.520 31.823 -0.352 0.000 0.642 465 V HN 0.570 nan 8.190 nan 0.000 0.446 466 A N 0.283 123.083 122.820 -0.034 0.000 1.865 466 A HA -0.298 4.022 4.320 0.000 0.000 0.217 466 A C 2.032 179.616 177.584 -0.001 0.000 1.191 466 A CA 2.326 54.359 52.037 -0.006 0.000 0.623 466 A CB -0.930 18.067 19.000 -0.006 0.000 0.826 466 A HN 0.593 nan 8.150 nan 0.000 0.444 467 N N -0.227 118.468 118.700 -0.009 0.000 2.049 467 N HA -0.194 4.546 4.740 0.000 0.000 0.198 467 N C 1.965 177.466 175.510 -0.015 0.000 1.030 467 N CA 2.604 55.648 53.050 -0.010 0.000 0.870 467 N CB -0.943 37.535 38.487 -0.015 0.000 1.045 467 N HN 0.738 nan 8.380 nan 0.000 0.434 468 T N -2.002 112.526 114.554 -0.042 0.000 2.951 468 T HA 0.034 4.384 4.350 0.000 0.000 0.268 468 T C 1.967 176.653 174.700 -0.024 0.000 1.073 468 T CA 0.785 62.829 62.100 -0.093 0.000 1.134 468 T CB -0.470 68.238 68.868 -0.267 0.000 0.884 468 T HN -0.043 nan 8.240 nan 0.000 0.479 469 V N 1.654 121.576 119.914 0.014 0.000 2.453 469 V HA -0.047 4.073 4.120 0.000 0.000 0.247 469 V C 2.697 178.864 176.094 0.121 0.000 1.048 469 V CA 1.636 63.983 62.300 0.078 0.000 1.049 469 V CB -0.478 31.383 31.823 0.064 0.000 0.672 469 V HN 0.530 nan 8.190 nan 0.000 0.457 470 K N 0.460 120.899 120.400 0.065 0.000 2.283 470 K HA -0.060 4.260 4.320 0.000 0.000 0.202 470 K C 2.175 178.805 176.600 0.049 0.000 1.048 470 K CA 1.149 57.468 56.287 0.054 0.000 0.948 470 K CB -0.501 32.017 32.500 0.029 0.000 0.742 470 K HN 0.549 nan 8.250 nan 0.000 0.458 471 G N 1.451 110.277 108.800 0.044 0.000 2.462 471 G HA2 -0.158 3.803 3.960 0.000 0.000 0.220 471 G HA3 -0.158 3.803 3.960 0.000 0.000 0.220 471 G C 0.780 175.683 174.900 0.004 0.000 1.121 471 G CA 0.856 45.965 45.100 0.014 0.000 0.758 471 G HN 0.388 nan 8.290 nan 0.000 0.559 472 G N -1.189 107.658 108.800 0.077 0.000 2.583 472 G HA2 0.527 4.487 3.960 0.000 0.000 0.280 472 G HA3 0.527 4.487 3.960 0.000 0.000 0.280 472 G C -1.178 173.746 174.900 0.040 0.000 1.376 472 G CA -0.448 44.651 45.100 -0.002 0.000 1.043 472 G HN 0.104 nan 8.290 nan 0.000 0.538 473 D N -2.073 118.340 120.400 0.022 0.000 2.531 473 D HA 0.528 5.168 4.640 0.000 0.000 0.244 473 D C 0.993 177.342 176.300 0.082 0.000 1.090 473 D CA 0.618 54.643 54.000 0.041 0.000 0.989 473 D CB 1.634 42.431 40.800 -0.006 0.000 1.433 473 D HN 0.820 nan 8.370 nan 0.000 0.492 474 G N 1.245 110.081 108.800 0.061 0.000 2.685 474 G HA2 -0.386 3.574 3.960 0.000 0.000 0.329 474 G HA3 -0.386 3.574 3.960 0.000 0.000 0.329 474 G C 0.421 175.376 174.900 0.091 0.000 1.271 474 G CA 0.677 45.813 45.100 0.061 0.000 1.003 474 G HN 0.648 nan 8.290 nan 0.000 0.549 475 N N 0.025 118.785 118.700 0.099 0.000 2.322 475 N HA 0.281 5.021 4.740 0.000 0.000 0.216 475 N C -0.110 175.498 175.510 0.162 0.000 1.144 475 N CA -0.240 52.873 53.050 0.105 0.000 0.830 475 N CB 0.202 38.734 38.487 0.074 0.000 1.034 475 N HN 0.451 nan 8.380 nan 0.000 0.484 476 Y N 1.066 121.393 120.300 0.046 0.000 2.335 476 Y HA 0.494 5.044 4.550 0.000 0.000 0.331 476 Y C 0.502 176.460 175.900 0.096 0.000 1.094 476 Y CA -0.162 57.979 58.100 0.067 0.000 1.253 476 Y CB 0.579 39.071 38.460 0.053 0.000 1.203 476 Y HN -0.027 nan 8.280 nan 0.000 0.508 477 G N 3.811 112.472 108.800 -0.232 0.000 2.682 477 G HA2 0.282 4.242 3.960 0.000 0.000 0.303 477 G HA3 0.282 4.242 3.960 0.000 0.000 0.303 477 G C -2.524 172.307 174.900 -0.116 0.000 1.341 477 G CA -0.907 44.100 45.100 -0.155 0.000 0.784 477 G HN 0.554 nan 8.290 nan 0.000 0.497 478 Y N 1.467 121.688 120.300 -0.132 0.000 2.328 478 Y HA 0.581 5.131 4.550 0.000 0.000 0.337 478 Y C -0.154 175.633 175.900 -0.189 0.000 0.966 478 Y CA -1.492 56.479 58.100 -0.214 0.000 1.136 478 Y CB 1.537 39.887 38.460 -0.183 0.000 1.170 478 Y HN 0.422 nan 8.280 nan 0.000 0.470 479 N N 5.010 123.261 118.700 -0.748 0.000 2.521 479 N HA 0.196 4.936 4.740 0.000 0.000 0.236 479 N C 0.522 175.548 175.510 -0.807 0.000 1.067 479 N CA 0.560 53.276 53.050 -0.557 0.000 0.939 479 N CB 1.144 39.417 38.487 -0.355 0.000 1.201 479 N HN 0.894 nan 8.380 nan 0.000 0.511 480 A N 3.957 126.454 122.820 -0.539 0.000 1.933 480 A HA -0.090 4.230 4.320 0.000 0.000 0.218 480 A C 2.106 179.552 177.584 -0.228 0.000 1.175 480 A CA 1.805 53.642 52.037 -0.333 0.000 0.628 480 A CB -0.751 18.217 19.000 -0.054 0.000 0.814 480 A HN 0.706 nan 8.150 nan 0.000 0.444 481 A N -0.437 122.269 122.820 -0.190 0.000 1.865 481 A HA -0.129 4.192 4.320 0.000 0.000 0.217 481 A C 2.412 179.909 177.584 -0.145 0.000 1.191 481 A CA 2.615 54.574 52.037 -0.129 0.000 0.623 481 A CB -1.247 17.693 19.000 -0.100 0.000 0.826 481 A HN 0.874 nan 8.150 nan 0.000 0.444 482 T N -4.019 110.418 114.554 -0.196 0.000 3.081 482 T HA 0.235 4.585 4.350 0.000 0.000 0.250 482 T C 0.419 175.000 174.700 -0.198 0.000 1.100 482 T CA 0.924 62.925 62.100 -0.164 0.000 1.038 482 T CB -0.247 68.535 68.868 -0.143 0.000 0.962 482 T HN 0.566 nan 8.240 nan 0.000 0.516 483 E N 1.123 121.129 120.200 -0.324 0.000 2.791 483 E HA -0.176 4.174 4.350 0.000 0.000 0.271 483 E C -0.104 176.325 176.600 -0.285 0.000 1.044 483 E CA 1.040 57.265 56.400 -0.292 0.000 0.814 483 E CB -1.206 28.454 29.700 -0.067 0.000 1.400 483 E HN 0.972 nan 8.360 nan 0.000 0.423 484 E N -1.069 118.892 120.200 -0.398 0.000 2.392 484 E HA 0.511 4.861 4.350 0.000 0.000 0.269 484 E C -0.598 175.781 176.600 -0.369 0.000 0.924 484 E CA -0.965 55.265 56.400 -0.283 0.000 0.784 484 E CB 0.966 30.623 29.700 -0.071 0.000 1.292 484 E HN 0.033 nan 8.360 nan 0.000 0.447 485 Y N -0.213 120.091 120.300 0.007 0.000 2.340 485 Y HA 0.660 5.210 4.550 0.000 0.000 0.327 485 Y C 1.064 176.947 175.900 -0.028 0.000 1.321 485 Y CA 0.789 58.845 58.100 -0.074 0.000 1.433 485 Y CB 1.657 40.074 38.460 -0.071 0.000 1.373 485 Y HN 0.868 nan 8.280 nan 0.000 0.538 486 G N 0.244 109.106 108.800 0.104 0.000 2.324 486 G HA2 0.003 3.963 3.960 0.000 0.000 0.293 486 G HA3 0.003 3.963 3.960 0.000 0.000 0.293 486 G C -2.043 172.958 174.900 0.168 0.000 1.297 486 G CA -1.203 44.003 45.100 0.176 0.000 0.853 486 G HN 0.577 nan 8.290 nan 0.000 0.535 487 N N 1.021 119.810 118.700 0.148 0.000 2.406 487 N HA 0.137 4.877 4.740 0.000 0.000 0.251 487 N C 1.799 177.345 175.510 0.059 0.000 1.069 487 N CA -0.556 52.570 53.050 0.127 0.000 0.947 487 N CB 0.783 39.334 38.487 0.107 0.000 1.111 487 N HN 0.417 nan 8.380 nan 0.000 0.497 488 M N 3.395 123.021 119.600 0.044 0.000 2.106 488 M HA -0.189 4.291 4.480 0.000 0.000 0.259 488 M C 1.583 177.891 176.300 0.014 0.000 1.068 488 M CA 1.225 56.533 55.300 0.013 0.000 1.100 488 M CB -0.678 31.927 32.600 0.009 0.000 1.351 488 M HN 0.534 nan 8.290 nan 0.000 0.404 489 I N 0.298 120.883 120.570 0.025 0.000 2.394 489 I HA -0.235 3.935 4.170 0.000 0.000 0.251 489 I C 1.785 177.911 176.117 0.016 0.000 1.136 489 I CA 1.318 62.630 61.300 0.020 0.000 1.425 489 I CB -1.387 36.627 38.000 0.024 0.000 1.079 489 I HN 0.241 nan 8.210 nan 0.000 0.425 490 D N 0.633 121.046 120.400 0.022 0.000 2.183 490 D HA -0.055 4.585 4.640 0.000 0.000 0.203 490 D C 2.012 178.317 176.300 0.008 0.000 0.969 490 D CA 0.952 54.963 54.000 0.019 0.000 0.842 490 D CB 0.006 40.823 40.800 0.029 0.000 0.957 490 D HN 0.330 nan 8.370 nan 0.000 0.484 491 M N -0.670 118.931 119.600 0.002 0.000 2.530 491 M HA 0.238 4.718 4.480 0.000 0.000 0.231 491 M C 0.931 177.221 176.300 -0.016 0.000 1.180 491 M CA 0.159 55.451 55.300 -0.013 0.000 0.985 491 M CB 0.568 33.150 32.600 -0.030 0.000 1.623 491 M HN -0.045 nan 8.290 nan 0.000 0.475 492 G N 2.224 111.019 108.800 -0.007 0.000 2.198 492 G HA2 -0.246 3.714 3.960 0.000 0.000 0.260 492 G HA3 -0.246 3.714 3.960 0.000 0.000 0.260 492 G C 0.030 174.924 174.900 -0.011 0.000 1.025 492 G CA -0.083 45.012 45.100 -0.007 0.000 0.769 492 G HN 0.601 nan 8.290 nan 0.000 0.507 493 I N 1.258 121.821 120.570 -0.013 0.000 2.317 493 I HA 0.336 4.506 4.170 0.000 0.000 0.286 493 I C 0.573 176.688 176.117 -0.003 0.000 1.119 493 I CA -0.379 60.912 61.300 -0.015 0.000 1.228 493 I CB 0.159 38.142 38.000 -0.028 0.000 1.476 493 I HN 0.012 nan 8.210 nan 0.000 0.514 494 L N 3.839 125.063 121.223 0.001 0.000 2.325 494 L HA 0.587 4.927 4.340 0.000 0.000 0.278 494 L C -0.461 176.415 176.870 0.010 0.000 1.023 494 L CA -0.853 53.991 54.840 0.007 0.000 0.811 494 L CB 1.406 43.470 42.059 0.009 0.000 1.249 494 L HN 0.299 nan 8.230 nan 0.000 0.431 495 D N 1.771 122.179 120.400 0.013 0.000 2.198 495 D HA 0.417 5.057 4.640 0.000 0.000 0.247 495 D C -2.529 173.782 176.300 0.018 0.000 1.010 495 D CA -1.471 52.539 54.000 0.016 0.000 0.880 495 D CB 2.045 42.855 40.800 0.017 0.000 1.209 495 D HN 0.200 nan 8.370 nan 0.000 0.451 496 P HA 0.139 nan 4.420 nan 0.000 0.276 496 P C 0.701 178.013 177.300 0.020 0.000 1.230 496 P CA -0.213 62.901 63.100 0.022 0.000 0.776 496 P CB 0.733 32.450 31.700 0.029 0.000 0.888 497 T N 2.461 117.024 114.554 0.015 0.000 2.580 497 T HA -0.262 4.088 4.350 0.000 0.000 0.265 497 T C 1.633 176.339 174.700 0.010 0.000 1.063 497 T CA 1.677 63.784 62.100 0.011 0.000 1.170 497 T CB -0.633 68.239 68.868 0.007 0.000 0.863 497 T HN 0.490 nan 8.240 nan 0.000 0.418 498 K N 0.796 121.203 120.400 0.012 0.000 2.127 498 K HA -0.218 4.102 4.320 0.000 0.000 0.212 498 K C 2.362 178.977 176.600 0.025 0.000 1.050 498 K CA 2.049 58.345 56.287 0.015 0.000 0.929 498 K CB -0.577 31.937 32.500 0.022 0.000 0.715 498 K HN 0.333 nan 8.250 nan 0.000 0.457 499 V N -0.282 119.654 119.914 0.036 0.000 2.379 499 V HA -0.166 3.954 4.120 0.000 0.000 0.245 499 V C 1.765 177.879 176.094 0.035 0.000 1.044 499 V CA 2.416 64.745 62.300 0.048 0.000 1.036 499 V CB -0.684 31.173 31.823 0.056 0.000 0.664 499 V HN 0.437 nan 8.190 nan 0.000 0.453 500 T N 0.533 115.101 114.554 0.023 0.000 2.746 500 T HA -0.156 4.194 4.350 0.000 0.000 0.267 500 T C 2.046 176.747 174.700 0.001 0.000 1.039 500 T CA 1.903 64.012 62.100 0.016 0.000 1.142 500 T CB -0.434 68.442 68.868 0.013 0.000 0.866 500 T HN 0.484 nan 8.240 nan 0.000 0.444 501 R N 0.999 121.492 120.500 -0.011 0.000 2.080 501 R HA -0.094 4.246 4.340 0.000 0.000 0.236 501 R C 2.612 178.861 176.300 -0.085 0.000 1.137 501 R CA 1.883 57.958 56.100 -0.042 0.000 0.943 501 R CB -0.711 29.564 30.300 -0.041 0.000 0.846 501 R HN 0.303 nan 8.270 nan 0.000 0.431 502 S N 0.595 116.249 115.700 -0.075 0.000 2.356 502 S HA -0.136 4.334 4.470 0.000 0.000 0.223 502 S C 2.058 176.629 174.600 -0.048 0.000 1.032 502 S CA 1.238 59.350 58.200 -0.147 0.000 1.005 502 S CB -0.380 62.855 63.200 0.058 0.000 0.867 502 S HN 0.568 nan 8.310 nan 0.000 0.449 503 A N 1.990 124.847 122.820 0.062 0.000 1.884 503 A HA -0.161 4.159 4.320 0.000 0.000 0.219 503 A C 2.123 179.733 177.584 0.044 0.000 1.197 503 A CA 1.627 53.718 52.037 0.090 0.000 0.637 503 A CB -1.033 18.005 19.000 0.063 0.000 0.827 503 A HN 0.456 nan 8.150 nan 0.000 0.450 504 L N -0.695 120.525 121.223 -0.006 0.000 1.989 504 L HA -0.275 4.065 4.340 0.000 0.000 0.211 504 L C 2.813 179.651 176.870 -0.053 0.000 1.071 504 L CA 2.495 57.323 54.840 -0.020 0.000 0.749 504 L CB -0.840 41.204 42.059 -0.025 0.000 0.890 504 L HN 0.579 nan 8.230 nan 0.000 0.431 505 Q N -1.235 118.474 119.800 -0.151 0.000 2.061 505 Q HA -0.255 4.085 4.340 0.000 0.000 0.204 505 Q C 2.019 177.937 176.000 -0.138 0.000 0.984 505 Q CA 2.072 57.750 55.803 -0.209 0.000 0.846 505 Q CB -0.275 28.245 28.738 -0.364 0.000 0.902 505 Q HN 0.493 nan 8.270 nan 0.000 0.421 506 Y N -0.009 120.299 120.300 0.013 0.000 2.200 506 Y HA -0.107 4.443 4.550 0.000 0.000 0.290 506 Y C 2.389 178.297 175.900 0.013 0.000 1.137 506 Y CA 0.759 58.867 58.100 0.014 0.000 1.163 506 Y CB -0.861 37.608 38.460 0.015 0.000 0.988 506 Y HN 0.125 nan 8.280 nan 0.000 0.518 507 A N 0.109 123.026 122.820 0.162 0.000 1.902 507 A HA -0.126 4.194 4.320 0.000 0.000 0.217 507 A C 2.473 180.099 177.584 0.069 0.000 1.181 507 A CA 1.940 54.036 52.037 0.098 0.000 0.623 507 A CB -1.175 17.866 19.000 0.068 0.000 0.818 507 A HN 0.387 nan 8.150 nan 0.000 0.443 508 A N -0.878 121.972 122.820 0.049 0.000 1.930 508 A HA -0.053 4.267 4.320 0.000 0.000 0.217 508 A C 2.453 180.062 177.584 0.040 0.000 1.175 508 A CA 2.053 54.109 52.037 0.031 0.000 0.627 508 A CB -0.932 18.076 19.000 0.012 0.000 0.815 508 A HN 0.577 nan 8.150 nan 0.000 0.443 509 S N -0.464 115.271 115.700 0.059 0.000 2.354 509 S HA -0.155 4.315 4.470 0.000 0.000 0.219 509 S C 1.948 176.586 174.600 0.062 0.000 1.035 509 S CA 1.906 60.146 58.200 0.067 0.000 1.037 509 S CB -0.660 62.606 63.200 0.110 0.000 0.956 509 S HN 0.306 nan 8.310 nan 0.000 0.428 510 V N 2.358 122.316 119.914 0.074 0.000 2.255 510 V HA -0.182 3.938 4.120 0.000 0.000 0.247 510 V C 2.926 179.045 176.094 0.041 0.000 1.051 510 V CA 2.067 64.399 62.300 0.053 0.000 1.018 510 V CB -1.451 30.402 31.823 0.050 0.000 0.641 510 V HN 0.657 nan 8.190 nan 0.000 0.445 511 A N 0.201 123.045 122.820 0.040 0.000 1.933 511 A HA -0.059 4.261 4.320 0.000 0.000 0.218 511 A C 2.401 180.001 177.584 0.027 0.000 1.175 511 A CA 1.829 53.885 52.037 0.031 0.000 0.628 511 A CB -1.267 17.751 19.000 0.029 0.000 0.814 511 A HN 0.552 nan 8.150 nan 0.000 0.444 512 G N 0.308 109.124 108.800 0.028 0.000 2.631 512 G HA2 -0.310 3.650 3.960 0.000 0.000 0.219 512 G HA3 -0.310 3.650 3.960 0.000 0.000 0.219 512 G C 1.549 176.462 174.900 0.023 0.000 1.214 512 G CA 1.267 46.382 45.100 0.023 0.000 0.785 512 G HN 0.442 nan 8.290 nan 0.000 0.596 513 L N -0.455 120.783 121.223 0.026 0.000 2.043 513 L HA -0.123 4.217 4.340 0.000 0.000 0.212 513 L C 2.972 179.855 176.870 0.023 0.000 1.075 513 L CA 1.661 56.515 54.840 0.024 0.000 0.752 513 L CB -0.265 41.810 42.059 0.027 0.000 0.891 513 L HN 0.328 nan 8.230 nan 0.000 0.432 514 M N 0.000 119.614 119.600 0.023 0.000 2.229 514 M HA -0.164 4.316 4.480 0.000 0.000 0.264 514 M C 2.026 178.337 176.300 0.019 0.000 1.063 514 M CA 1.566 56.879 55.300 0.022 0.000 1.114 514 M CB -0.026 32.588 32.600 0.023 0.000 1.387 514 M HN 0.258 nan 8.290 nan 0.000 0.420 515 I N -2.148 118.433 120.570 0.018 0.000 3.001 515 I HA -0.053 4.117 4.170 0.000 0.000 0.268 515 I C 1.377 177.503 176.117 0.016 0.000 1.267 515 I CA 1.066 62.375 61.300 0.015 0.000 1.472 515 I CB -1.125 36.883 38.000 0.014 0.000 1.089 515 I HN 0.252 nan 8.210 nan 0.000 0.468 516 T N -2.491 112.073 114.554 0.018 0.000 3.244 516 T HA 0.178 4.528 4.350 0.000 0.000 0.254 516 T C 0.629 175.342 174.700 0.022 0.000 1.024 516 T CA -0.284 61.828 62.100 0.019 0.000 0.920 516 T CB -0.748 68.132 68.868 0.020 0.000 1.042 516 T HN 0.137 nan 8.240 nan 0.000 0.572 517 T N 2.503 117.070 114.554 0.021 0.000 2.794 517 T HA 0.286 4.636 4.350 0.000 0.000 0.296 517 T C 0.766 175.482 174.700 0.027 0.000 0.949 517 T CA -0.188 61.925 62.100 0.022 0.000 1.101 517 T CB 1.381 70.258 68.868 0.015 0.000 0.905 517 T HN 0.412 nan 8.240 nan 0.000 0.516 518 E N 1.466 121.692 120.200 0.042 0.000 2.508 518 E HA 0.213 4.563 4.350 0.000 0.000 0.217 518 E C -0.044 176.620 176.600 0.106 0.000 0.896 518 E CA -0.123 56.319 56.400 0.071 0.000 1.118 518 E CB 0.512 30.261 29.700 0.081 0.000 1.133 518 E HN 0.593 nan 8.360 nan 0.000 0.526 519 C N 0.106 119.437 119.300 0.052 0.000 3.170 519 C HA 0.758 5.218 4.460 0.000 0.000 0.319 519 C C -1.627 173.312 174.990 -0.084 0.000 1.260 519 C CA -0.697 58.296 59.018 -0.041 0.000 1.374 519 C CB 0.616 28.379 27.740 0.037 0.000 1.739 519 C HN 0.297 nan 8.230 nan 0.000 0.479 520 M N 4.082 123.589 119.600 -0.154 0.000 2.393 520 M HA 0.611 5.091 4.480 0.000 0.000 0.299 520 M C -1.293 175.042 176.300 0.058 0.000 1.103 520 M CA -0.544 54.755 55.300 -0.002 0.000 0.910 520 M CB 2.298 34.944 32.600 0.077 0.000 1.659 520 M HN 0.461 nan 8.290 nan 0.000 0.445 521 V N 1.509 121.464 119.914 0.068 0.000 2.443 521 V HA 0.730 4.850 4.120 0.000 0.000 0.293 521 V C -0.346 175.750 176.094 0.004 0.000 1.021 521 V CA -0.339 61.980 62.300 0.033 0.000 0.848 521 V CB 1.853 33.672 31.823 -0.007 0.000 0.998 521 V HN 0.963 nan 8.190 nan 0.000 0.424 522 T N 2.194 116.713 114.554 -0.058 0.000 2.754 522 T HA 0.454 4.804 4.350 0.000 0.000 0.296 522 T C -1.273 173.331 174.700 -0.159 0.000 1.205 522 T CA -0.519 61.489 62.100 -0.154 0.000 1.009 522 T CB 1.977 70.647 68.868 -0.330 0.000 1.368 522 T HN 0.557 nan 8.240 nan 0.000 0.509 523 D N 1.175 121.480 120.400 -0.159 0.000 2.357 523 D HA 0.357 4.997 4.640 0.000 0.000 0.242 523 D C 0.026 176.241 176.300 -0.142 0.000 1.153 523 D CA -0.063 53.864 54.000 -0.122 0.000 0.918 523 D CB 0.398 41.142 40.800 -0.094 0.000 1.181 523 D HN 0.387 nan 8.370 nan 0.000 0.435 524 L N 2.542 123.711 121.223 -0.090 0.000 2.380 524 L HA 0.238 4.578 4.340 0.000 0.000 0.273 524 L C -1.360 175.466 176.870 -0.073 0.000 1.138 524 L CA -1.501 53.294 54.840 -0.075 0.000 0.832 524 L CB 0.477 42.512 42.059 -0.041 0.000 1.124 524 L HN 0.344 nan 8.230 nan 0.000 0.454 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.067 63.100 -0.055 0.000 0.800 525 P CB 0.000 31.679 31.700 -0.035 0.000 0.726