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 3e76_1_J DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 3 A N 2.957 125.773 122.820 -0.006 0.000 2.477 3 A HA 0.577 4.902 4.320 0.009 0.000 0.246 3 A C 0.267 177.846 177.584 -0.008 0.000 1.078 3 A CA 0.308 52.344 52.037 -0.002 0.000 0.770 3 A CB 0.137 19.139 19.000 0.003 0.000 1.011 3 A HN 0.623 nan 8.150 nan 0.000 0.494 4 K N 1.398 121.797 120.400 -0.002 0.000 2.267 4 K HA 0.435 4.760 4.320 0.009 0.000 0.246 4 K C -1.424 175.184 176.600 0.013 0.000 0.954 4 K CA -0.712 55.569 56.287 -0.010 0.000 0.824 4 K CB 2.085 34.578 32.500 -0.013 0.000 1.167 4 K HN 0.758 nan 8.250 nan 0.000 0.431 5 D N 0.983 121.392 120.400 0.015 0.000 2.278 5 D HA 0.397 5.042 4.640 0.009 0.000 0.245 5 D C -1.341 175.055 176.300 0.160 0.000 1.052 5 D CA -0.607 53.452 54.000 0.099 0.000 0.834 5 D CB 1.469 42.358 40.800 0.150 0.000 1.194 5 D HN 0.070 nan 8.370 nan 0.000 0.481 6 V N 4.170 124.155 119.914 0.118 0.000 2.531 6 V HA 0.439 4.565 4.120 0.009 0.000 0.301 6 V C -0.060 175.915 176.094 -0.198 0.000 1.034 6 V CA -0.811 61.467 62.300 -0.037 0.000 0.865 6 V CB 1.771 33.499 31.823 -0.159 0.000 0.995 6 V HN 0.414 nan 8.190 nan 0.000 0.424 7 K N 3.757 123.959 120.400 -0.330 0.000 2.259 7 K HA 0.744 5.070 4.320 0.009 0.000 0.252 7 K C -1.580 174.705 176.600 -0.525 0.000 0.936 7 K CA -0.499 55.520 56.287 -0.446 0.000 0.810 7 K CB 2.348 34.434 32.500 -0.691 0.000 1.143 7 K HN 0.444 nan 8.250 nan 0.000 0.427 8 F N 0.376 120.281 119.950 -0.075 0.000 2.522 8 F HA 0.425 4.957 4.527 0.009 0.000 0.324 8 F C 1.210 176.981 175.800 -0.048 0.000 1.077 8 F CA 0.120 58.096 58.000 -0.039 0.000 0.944 8 F CB 1.781 40.768 39.000 -0.022 0.000 1.175 8 F HN 0.837 nan 8.300 nan 0.000 0.468 9 G N 2.475 111.380 108.800 0.175 0.000 2.611 9 G HA2 -0.418 3.547 3.960 0.009 0.000 0.301 9 G HA3 -0.418 3.547 3.960 0.009 0.000 0.301 9 G C 1.266 176.187 174.900 0.035 0.000 1.233 9 G CA 0.668 45.823 45.100 0.092 0.000 0.993 9 G HN 0.687 nan 8.290 nan 0.000 0.553 10 N N 0.757 119.471 118.700 0.024 0.000 2.104 10 N HA -0.143 4.603 4.740 0.009 0.000 0.190 10 N C 1.868 177.367 175.510 -0.019 0.000 1.024 10 N CA 2.015 55.067 53.050 0.003 0.000 0.853 10 N CB -0.418 38.071 38.487 0.003 0.000 1.008 10 N HN 0.596 nan 8.380 nan 0.000 0.424 11 D N 0.347 120.731 120.400 -0.027 0.000 2.149 11 D HA -0.120 4.525 4.640 0.009 0.000 0.198 11 D C 1.532 177.752 176.300 -0.133 0.000 0.990 11 D CA 1.170 55.127 54.000 -0.072 0.000 0.839 11 D CB 0.084 40.842 40.800 -0.070 0.000 0.948 11 D HN 0.340 nan 8.370 nan 0.000 0.460 12 A N 0.473 123.220 122.820 -0.122 0.000 1.970 12 A HA -0.057 4.268 4.320 0.009 0.000 0.216 12 A C 2.314 179.854 177.584 -0.074 0.000 1.170 12 A CA 0.695 52.634 52.037 -0.164 0.000 0.645 12 A CB -0.235 18.691 19.000 -0.122 0.000 0.816 12 A HN 0.135 nan 8.150 nan 0.000 0.447 13 R N -0.259 120.220 120.500 -0.035 0.000 2.073 13 R HA -0.079 4.266 4.340 0.009 0.000 0.229 13 R C 2.115 178.411 176.300 -0.008 0.000 1.120 13 R CA 1.459 57.554 56.100 -0.007 0.000 0.967 13 R CB -0.539 29.762 30.300 0.003 0.000 0.862 13 R HN 0.535 nan 8.270 nan 0.000 0.436 14 V N -0.269 119.632 119.914 -0.021 0.000 2.594 14 V HA -0.174 3.951 4.120 0.009 0.000 0.253 14 V C 1.715 177.803 176.094 -0.010 0.000 1.069 14 V CA 1.503 63.794 62.300 -0.015 0.000 1.082 14 V CB -0.410 31.401 31.823 -0.021 0.000 0.680 14 V HN 0.119 nan 8.190 nan 0.000 0.469 15 K N -0.197 120.191 120.400 -0.020 0.000 2.155 15 K HA 0.127 4.452 4.320 0.009 0.000 0.203 15 K C 2.110 178.740 176.600 0.050 0.000 1.052 15 K CA 1.511 57.807 56.287 0.014 0.000 0.948 15 K CB -0.282 32.219 32.500 0.001 0.000 0.728 15 K HN 0.512 nan 8.250 nan 0.000 0.448 16 M N 0.334 119.960 119.600 0.043 0.000 2.123 16 M HA -0.146 4.340 4.480 0.009 0.000 0.263 16 M C 2.243 178.563 176.300 0.032 0.000 1.069 16 M CA 1.088 56.416 55.300 0.047 0.000 1.133 16 M CB -0.273 32.353 32.600 0.042 0.000 1.356 16 M HN 0.019 nan 8.290 nan 0.000 0.415 17 L N 0.498 121.734 121.223 0.022 0.000 2.012 17 L HA -0.222 4.123 4.340 0.009 0.000 0.210 17 L C 2.456 179.336 176.870 0.017 0.000 1.073 17 L CA 1.944 56.794 54.840 0.017 0.000 0.748 17 L CB -0.585 41.481 42.059 0.012 0.000 0.891 17 L HN 0.161 nan 8.230 nan 0.000 0.431 18 R N -0.371 120.139 120.500 0.018 0.000 2.105 18 R HA -0.113 4.232 4.340 0.009 0.000 0.239 18 R C 2.134 178.448 176.300 0.022 0.000 1.135 18 R CA 1.702 57.813 56.100 0.018 0.000 0.967 18 R CB -1.048 29.263 30.300 0.018 0.000 0.861 18 R HN 0.516 nan 8.270 nan 0.000 0.442 19 G N -0.322 108.496 108.800 0.030 0.000 2.394 19 G HA2 -0.189 3.776 3.960 0.009 0.000 0.214 19 G HA3 -0.189 3.776 3.960 0.009 0.000 0.214 19 G C 1.422 176.336 174.900 0.023 0.000 1.176 19 G CA 0.905 46.023 45.100 0.031 0.000 0.786 19 G HN 0.333 nan 8.290 nan 0.000 0.533 20 V N -0.372 119.556 119.914 0.022 0.000 2.427 20 V HA -0.111 4.014 4.120 0.009 0.000 0.248 20 V C 2.276 178.379 176.094 0.015 0.000 1.051 20 V CA 2.041 64.352 62.300 0.018 0.000 1.048 20 V CB -0.731 31.104 31.823 0.020 0.000 0.666 20 V HN 0.152 nan 8.190 nan 0.000 0.456 21 N N 0.973 119.681 118.700 0.014 0.000 2.223 21 N HA -0.094 4.651 4.740 0.009 0.000 0.185 21 N C 1.715 177.231 175.510 0.010 0.000 1.016 21 N CA 1.644 54.701 53.050 0.011 0.000 0.863 21 N CB -0.579 37.914 38.487 0.010 0.000 0.983 21 N HN 0.514 nan 8.380 nan 0.000 0.429 22 V N 1.082 121.002 119.914 0.011 0.000 2.270 22 V HA -0.148 3.977 4.120 0.009 0.000 0.245 22 V C 2.371 178.470 176.094 0.007 0.000 1.043 22 V CA 1.095 63.401 62.300 0.009 0.000 1.014 22 V CB -0.573 31.256 31.823 0.010 0.000 0.645 22 V HN 0.229 nan 8.190 nan 0.000 0.447 23 L N 0.005 121.233 121.223 0.008 0.000 2.046 23 L HA -0.161 4.184 4.340 0.009 0.000 0.208 23 L C 2.495 179.368 176.870 0.005 0.000 1.077 23 L CA 1.907 56.751 54.840 0.006 0.000 0.747 23 L CB -0.496 41.567 42.059 0.006 0.000 0.896 23 L HN 0.313 nan 8.230 nan 0.000 0.432 24 A N -0.454 122.370 122.820 0.007 0.000 1.855 24 A HA -0.242 4.083 4.320 0.009 0.000 0.215 24 A C 1.863 179.450 177.584 0.005 0.000 1.191 24 A CA 1.971 54.012 52.037 0.007 0.000 0.613 24 A CB -0.799 18.206 19.000 0.009 0.000 0.829 24 A HN 0.489 nan 8.150 nan 0.000 0.442 25 D N 0.028 120.431 120.400 0.005 0.000 2.218 25 D HA 0.016 4.662 4.640 0.009 0.000 0.204 25 D C 1.950 178.251 176.300 0.002 0.000 0.976 25 D CA 1.284 55.286 54.000 0.003 0.000 0.853 25 D CB -0.250 40.552 40.800 0.004 0.000 0.939 25 D HN 0.449 nan 8.370 nan 0.000 0.481 26 A N -0.133 122.688 122.820 0.002 0.000 2.067 26 A HA 0.015 4.340 4.320 0.009 0.000 0.217 26 A C 2.203 179.786 177.584 -0.001 0.000 1.156 26 A CA 0.621 52.658 52.037 0.000 0.000 0.683 26 A CB 0.071 19.071 19.000 0.000 0.000 0.808 26 A HN 0.160 nan 8.150 nan 0.000 0.455 27 V N 0.468 120.382 119.914 -0.001 0.000 2.788 27 V HA -0.107 4.018 4.120 0.009 0.000 0.241 27 V C 2.285 178.378 176.094 -0.001 0.000 1.083 27 V CA 1.539 63.837 62.300 -0.002 0.000 1.103 27 V CB -0.269 31.553 31.823 -0.003 0.000 0.800 27 V HN 0.776 nan 8.190 nan 0.000 0.476 28 K N 1.864 122.264 120.400 0.001 0.000 2.360 28 K HA -0.106 4.219 4.320 0.009 0.000 0.201 28 K C 1.686 178.287 176.600 0.001 0.000 1.046 28 K CA 1.783 58.071 56.287 0.002 0.000 0.945 28 K CB -0.591 31.911 32.500 0.003 0.000 0.750 28 K HN 0.489 nan 8.250 nan 0.000 0.464 29 V N -0.497 119.417 119.914 0.000 0.000 3.217 29 V HA -0.069 4.056 4.120 0.009 0.000 0.264 29 V C 1.815 177.909 176.094 -0.001 0.000 1.135 29 V CA 1.367 63.667 62.300 -0.000 0.000 1.142 29 V CB -0.814 31.009 31.823 -0.001 0.000 0.754 29 V HN 0.517 nan 8.190 nan 0.000 0.484 30 T N -2.212 112.341 114.554 -0.002 0.000 3.186 30 T HA 0.414 4.770 4.350 0.009 0.000 0.257 30 T C 0.118 174.816 174.700 -0.003 0.000 1.029 30 T CA -0.302 61.797 62.100 -0.003 0.000 0.916 30 T CB -0.004 68.861 68.868 -0.005 0.000 1.041 30 T HN 0.291 nan 8.240 nan 0.000 0.562 31 L N 2.291 123.514 121.223 -0.000 0.000 2.371 31 L HA 0.675 5.020 4.340 0.009 0.000 0.272 31 L C 0.876 177.748 176.870 0.003 0.000 1.124 31 L CA 1.501 56.342 54.840 0.002 0.000 0.816 31 L CB 0.168 42.229 42.059 0.004 0.000 1.129 31 L HN 0.654 nan 8.230 nan 0.000 0.448 32 G N 4.376 113.178 108.800 0.003 0.000 2.741 32 G HA2 -0.182 3.783 3.960 0.009 0.000 0.222 32 G HA3 -0.182 3.783 3.960 0.009 0.000 0.222 32 G C -2.159 172.740 174.900 -0.003 0.000 1.364 32 G CA -0.146 44.956 45.100 0.003 0.000 0.866 32 G HN 0.645 nan 8.290 nan 0.000 0.555 33 P HA 0.226 nan 4.420 nan 0.000 0.245 33 P C 0.920 178.215 177.300 -0.008 0.000 1.199 33 P CA 0.611 63.704 63.100 -0.012 0.000 0.807 33 P CB 0.335 32.022 31.700 -0.022 0.000 1.002 34 K N 0.846 121.245 120.400 -0.001 0.000 2.520 34 K HA 0.252 4.577 4.320 0.009 0.000 0.205 34 K C 1.075 177.677 176.600 0.003 0.000 1.035 34 K CA -0.084 56.205 56.287 0.003 0.000 1.188 34 K CB -0.201 32.308 32.500 0.015 0.000 0.894 34 K HN 0.099 nan 8.250 nan 0.000 0.497 35 G N 1.173 109.973 108.800 0.000 0.000 2.594 35 G HA2 0.118 4.083 3.960 0.009 0.000 0.243 35 G HA3 0.118 4.083 3.960 0.009 0.000 0.243 35 G C 0.067 174.966 174.900 -0.002 0.000 1.229 35 G CA -0.442 44.658 45.100 -0.001 0.000 0.843 35 G HN 0.089 nan 8.290 nan 0.000 0.578 36 R N 0.197 120.696 120.500 -0.002 0.000 2.674 36 R HA 0.284 4.630 4.340 0.009 0.000 0.266 36 R C -0.534 175.764 176.300 -0.003 0.000 1.016 36 R CA -0.987 55.112 56.100 -0.002 0.000 1.062 36 R CB 0.818 31.117 30.300 -0.001 0.000 1.142 36 R HN 0.525 nan 8.270 nan 0.000 0.517 37 N N -0.509 118.189 118.700 -0.004 0.000 2.518 37 N HA 0.247 4.992 4.740 0.009 0.000 0.283 37 N C -0.914 174.594 175.510 -0.004 0.000 1.119 37 N CA -0.207 52.841 53.050 -0.004 0.000 0.983 37 N CB 1.236 39.721 38.487 -0.004 0.000 1.139 37 N HN 0.135 nan 8.380 nan 0.000 0.465 38 V N 2.422 122.334 119.914 -0.004 0.000 2.448 38 V HA 0.352 4.477 4.120 0.009 0.000 0.295 38 V C -0.373 175.719 176.094 -0.004 0.000 1.025 38 V CA -0.812 61.486 62.300 -0.004 0.000 0.859 38 V CB 1.678 33.498 31.823 -0.004 0.000 0.988 38 V HN 0.336 nan 8.190 nan 0.000 0.431 39 V N 6.789 126.701 119.914 -0.003 0.000 2.407 39 V HA 0.464 4.589 4.120 0.009 0.000 0.278 39 V C -0.144 175.949 176.094 -0.002 0.000 1.037 39 V CA -0.419 61.880 62.300 -0.003 0.000 0.900 39 V CB 1.325 33.147 31.823 -0.002 0.000 0.983 39 V HN 0.614 nan 8.190 nan 0.000 0.459 40 L N 3.772 124.994 121.223 -0.002 0.000 2.313 40 L HA 0.543 4.888 4.340 0.009 0.000 0.283 40 L C -0.305 176.566 176.870 0.002 0.000 1.013 40 L CA -0.563 54.276 54.840 -0.001 0.000 0.816 40 L CB 1.779 43.836 42.059 -0.002 0.000 1.236 40 L HN 0.531 nan 8.230 nan 0.000 0.419 41 D N 2.921 123.322 120.400 0.002 0.000 2.302 41 D HA 0.312 4.957 4.640 0.009 0.000 0.248 41 D C -0.682 175.624 176.300 0.010 0.000 1.094 41 D CA 0.104 54.106 54.000 0.003 0.000 0.897 41 D CB 0.999 41.798 40.800 -0.002 0.000 1.200 41 D HN 0.338 nan 8.370 nan 0.000 0.429 42 K N 0.774 121.185 120.400 0.018 0.000 2.375 42 K HA 0.249 4.574 4.320 0.009 0.000 0.249 42 K C 0.956 177.573 176.600 0.029 0.000 0.942 42 K CA -0.624 55.685 56.287 0.038 0.000 0.806 42 K CB 1.813 34.349 32.500 0.061 0.000 1.227 42 K HN 0.436 nan 8.250 nan 0.000 0.430 43 S N 1.312 117.032 115.700 0.032 0.000 2.368 43 S HA -0.062 4.413 4.470 0.009 0.000 0.225 43 S C 0.600 175.121 174.600 -0.132 0.000 1.030 43 S CA 0.782 58.944 58.200 -0.063 0.000 0.999 43 S CB -0.281 62.862 63.200 -0.094 0.000 0.844 43 S HN 0.415 nan 8.310 nan 0.000 0.459 44 F N 3.370 123.312 119.950 -0.013 0.000 2.404 44 F HA 0.563 5.090 4.527 -0.001 0.000 0.359 44 F C 1.605 177.397 175.800 -0.012 0.000 1.134 44 F CA 0.468 58.460 58.000 -0.013 0.000 1.160 44 F CB 0.456 39.447 39.000 -0.014 0.000 1.186 44 F HN 0.539 nan 8.300 nan 0.000 0.526 45 G N 2.320 111.182 108.800 0.103 0.000 2.550 45 G HA2 -0.149 3.817 3.960 0.009 0.000 0.277 45 G HA3 -0.149 3.817 3.960 0.009 0.000 0.277 45 G C 0.019 174.944 174.900 0.042 0.000 1.190 45 G CA -0.457 44.685 45.100 0.070 0.000 0.971 45 G HN 1.036 nan 8.290 nan 0.000 0.559 46 A N 1.693 124.535 122.820 0.038 0.000 2.445 46 A HA 0.645 4.971 4.320 0.009 0.000 0.242 46 A C -1.307 176.290 177.584 0.021 0.000 1.075 46 A CA 0.275 52.325 52.037 0.022 0.000 0.777 46 A CB -0.192 18.819 19.000 0.018 0.000 1.013 46 A HN 0.714 nan 8.150 nan 0.000 0.493 47 P HA 0.339 nan 4.420 nan 0.000 0.274 47 P C -0.473 176.831 177.300 0.007 0.000 1.237 47 P CA -0.154 62.952 63.100 0.010 0.000 0.793 47 P CB 0.579 32.281 31.700 0.004 0.000 0.977 48 T N 2.044 116.601 114.554 0.005 0.000 2.744 48 T HA 0.468 4.823 4.350 0.009 0.000 0.291 48 T C 0.325 175.024 174.700 -0.001 0.000 0.957 48 T CA -0.236 61.864 62.100 0.001 0.000 1.002 48 T CB -0.162 68.706 68.868 -0.001 0.000 0.919 48 T HN 0.173 nan 8.240 nan 0.000 0.468 49 I N 3.029 123.597 120.570 -0.003 0.000 2.312 49 I HA 0.486 4.661 4.170 0.009 0.000 0.290 49 I C 0.578 176.692 176.117 -0.006 0.000 1.008 49 I CA -0.345 60.953 61.300 -0.004 0.000 1.226 49 I CB 1.342 39.340 38.000 -0.003 0.000 1.371 49 I HN 0.506 nan 8.210 nan 0.000 0.468 50 T N 4.141 118.691 114.554 -0.007 0.000 2.883 50 T HA 0.401 4.756 4.350 0.009 0.000 0.301 50 T C 0.261 174.956 174.700 -0.009 0.000 1.158 50 T CA -0.581 61.514 62.100 -0.009 0.000 1.007 50 T CB 1.814 70.675 68.868 -0.011 0.000 1.186 50 T HN 0.646 nan 8.240 nan 0.000 0.499 51 K N 0.664 121.058 120.400 -0.010 0.000 2.373 51 K HA 0.169 4.494 4.320 0.009 0.000 0.200 51 K C -0.292 176.301 176.600 -0.012 0.000 1.054 51 K CA -0.184 56.097 56.287 -0.010 0.000 1.065 51 K CB 0.367 32.862 32.500 -0.010 0.000 0.886 51 K HN 0.493 nan 8.250 nan 0.000 0.546 52 D N 0.801 121.192 120.400 -0.015 0.000 2.349 52 D HA -0.000 4.645 4.640 0.009 0.000 0.266 52 D C 1.217 177.506 176.300 -0.018 0.000 1.293 52 D CA 0.137 54.126 54.000 -0.019 0.000 0.926 52 D CB 0.987 41.773 40.800 -0.023 0.000 1.090 52 D HN 0.231 nan 8.370 nan 0.000 0.502 53 G N 2.575 111.364 108.800 -0.018 0.000 2.479 53 G HA2 -0.210 3.756 3.960 0.009 0.000 0.220 53 G HA3 -0.210 3.756 3.960 0.009 0.000 0.220 53 G C 1.423 176.311 174.900 -0.019 0.000 1.115 53 G CA 0.808 45.898 45.100 -0.016 0.000 0.757 53 G HN 0.487 nan 8.290 nan 0.000 0.560 54 V N 0.752 120.651 119.914 -0.025 0.000 2.323 54 V HA -0.126 3.999 4.120 0.009 0.000 0.244 54 V C 2.960 179.041 176.094 -0.023 0.000 1.041 54 V CA 2.020 64.303 62.300 -0.028 0.000 1.025 54 V CB -0.728 31.074 31.823 -0.036 0.000 0.656 54 V HN 0.319 nan 8.190 nan 0.000 0.451 55 S N 0.292 115.979 115.700 -0.022 0.000 2.382 55 S HA -0.146 4.329 4.470 0.009 0.000 0.228 55 S C 2.009 176.601 174.600 -0.015 0.000 1.027 55 S CA 1.486 59.675 58.200 -0.019 0.000 0.991 55 S CB -0.206 62.983 63.200 -0.019 0.000 0.823 55 S HN 0.391 nan 8.310 nan 0.000 0.469 56 V N 1.766 121.672 119.914 -0.013 0.000 2.379 56 V HA -0.116 4.009 4.120 0.009 0.000 0.245 56 V C 2.635 178.723 176.094 -0.009 0.000 1.044 56 V CA 1.536 63.830 62.300 -0.010 0.000 1.036 56 V CB -1.197 30.621 31.823 -0.008 0.000 0.664 56 V HN 0.522 nan 8.190 nan 0.000 0.453 57 A N 0.021 122.835 122.820 -0.011 0.000 1.877 57 A HA -0.232 4.093 4.320 0.009 0.000 0.216 57 A C 2.376 179.954 177.584 -0.009 0.000 1.186 57 A CA 1.781 53.812 52.037 -0.010 0.000 0.620 57 A CB -0.561 18.431 19.000 -0.013 0.000 0.822 57 A HN 0.451 nan 8.150 nan 0.000 0.443 58 R N -0.554 119.939 120.500 -0.012 0.000 2.117 58 R HA -0.139 4.207 4.340 0.009 0.000 0.243 58 R C 1.755 178.050 176.300 -0.008 0.000 1.143 58 R CA 1.434 57.528 56.100 -0.011 0.000 0.968 58 R CB -0.239 30.053 30.300 -0.014 0.000 0.863 58 R HN 0.517 nan 8.270 nan 0.000 0.444 59 E N 0.227 120.422 120.200 -0.008 0.000 2.285 59 E HA -0.010 4.345 4.350 0.009 0.000 0.194 59 E C 0.611 177.209 176.600 -0.004 0.000 0.997 59 E CA 0.303 56.699 56.400 -0.006 0.000 0.845 59 E CB 0.130 29.827 29.700 -0.005 0.000 0.782 59 E HN 0.172 nan 8.360 nan 0.000 0.491 60 I N 1.902 122.470 120.570 -0.003 0.000 2.533 60 I HA 0.087 4.262 4.170 0.009 0.000 0.284 60 I C 0.414 176.530 176.117 -0.001 0.000 1.109 60 I CA 0.420 61.719 61.300 -0.001 0.000 1.412 60 I CB 0.160 38.160 38.000 -0.000 0.000 1.396 60 I HN -0.012 nan 8.210 nan 0.000 0.543 61 E N 6.924 127.124 120.200 -0.001 0.000 2.428 61 E HA 0.348 4.703 4.350 0.009 0.000 0.307 61 E C -1.716 174.883 176.600 -0.002 0.000 0.902 61 E CA -0.487 55.912 56.400 -0.002 0.000 0.799 61 E CB 1.333 31.031 29.700 -0.004 0.000 1.351 61 E HN 0.461 nan 8.360 nan 0.000 0.392 62 L N 3.129 124.352 121.223 -0.000 0.000 2.439 62 L HA 0.327 4.672 4.340 0.009 0.000 0.259 62 L C 1.718 178.589 176.870 0.000 0.000 1.129 62 L CA -0.103 54.739 54.840 0.004 0.000 0.803 62 L CB 0.917 42.983 42.059 0.011 0.000 1.161 62 L HN 0.721 nan 8.230 nan 0.000 0.462 63 E N 0.497 120.700 120.200 0.005 0.000 2.033 63 E HA -0.160 4.195 4.350 0.009 0.000 0.189 63 E C 0.135 176.739 176.600 0.006 0.000 0.979 63 E CA 0.465 56.867 56.400 0.003 0.000 0.802 63 E CB 0.194 29.898 29.700 0.006 0.000 0.763 63 E HN 0.706 nan 8.360 nan 0.000 0.449 64 D N 0.707 121.121 120.400 0.024 0.000 2.412 64 D HA -0.063 4.582 4.640 0.009 0.000 0.257 64 D C 0.943 177.261 176.300 0.030 0.000 1.217 64 D CA 0.076 54.106 54.000 0.049 0.000 0.897 64 D CB 0.700 41.550 40.800 0.082 0.000 1.132 64 D HN -0.054 nan 8.370 nan 0.000 0.493 65 K N 3.276 123.658 120.400 -0.030 0.000 2.113 65 K HA -0.178 4.148 4.320 0.009 0.000 0.208 65 K C 1.608 178.092 176.600 -0.193 0.000 1.047 65 K CA 1.232 57.425 56.287 -0.157 0.000 0.928 65 K CB -0.288 32.041 32.500 -0.285 0.000 0.716 65 K HN 0.552 nan 8.250 nan 0.000 0.446 66 F N 1.504 121.442 119.950 -0.019 0.000 2.113 66 F HA -0.101 4.432 4.527 0.010 0.000 0.297 66 F C 2.413 178.204 175.800 -0.015 0.000 1.103 66 F CA 1.142 59.129 58.000 -0.022 0.000 1.248 66 F CB -0.421 38.563 39.000 -0.026 0.000 0.999 66 F HN 0.119 nan 8.300 nan 0.000 0.475 67 E N 0.038 120.343 120.200 0.175 0.000 2.058 67 E HA -0.288 4.068 4.350 0.009 0.000 0.194 67 E C 1.905 178.535 176.600 0.050 0.000 0.997 67 E CA 1.444 57.899 56.400 0.092 0.000 0.801 67 E CB -0.415 29.326 29.700 0.069 0.000 0.746 67 E HN 0.310 nan 8.360 nan 0.000 0.450 68 N N 0.746 119.461 118.700 0.026 0.000 2.094 68 N HA -0.199 4.546 4.740 0.009 0.000 0.191 68 N C 1.751 177.260 175.510 -0.001 0.000 1.023 68 N CA 1.564 54.615 53.050 0.001 0.000 0.857 68 N CB -0.065 38.408 38.487 -0.023 0.000 1.013 68 N HN 0.086 nan 8.380 nan 0.000 0.426 69 M N -0.536 119.061 119.600 -0.006 0.000 2.065 69 M HA -0.068 4.417 4.480 0.009 0.000 0.259 69 M C 2.247 178.559 176.300 0.021 0.000 1.069 69 M CA 1.889 57.187 55.300 -0.002 0.000 1.110 69 M CB -0.851 31.745 32.600 -0.006 0.000 1.328 69 M HN 0.347 nan 8.290 nan 0.000 0.405 70 G N 0.017 108.842 108.800 0.041 0.000 2.514 70 G HA2 -0.254 3.711 3.960 0.009 0.000 0.217 70 G HA3 -0.254 3.711 3.960 0.009 0.000 0.217 70 G C 1.612 176.528 174.900 0.026 0.000 1.198 70 G CA 1.370 46.493 45.100 0.038 0.000 0.780 70 G HN 0.568 nan 8.290 nan 0.000 0.565 71 A N -0.351 122.482 122.820 0.022 0.000 1.892 71 A HA -0.139 4.186 4.320 0.009 0.000 0.218 71 A C 2.366 179.957 177.584 0.011 0.000 1.188 71 A CA 2.152 54.199 52.037 0.015 0.000 0.631 71 A CB -0.433 18.575 19.000 0.013 0.000 0.822 71 A HN 0.360 nan 8.150 nan 0.000 0.447 72 Q N -1.137 118.668 119.800 0.008 0.000 2.297 72 Q HA -0.011 4.334 4.340 0.009 0.000 0.204 72 Q C 2.045 178.050 176.000 0.009 0.000 0.962 72 Q CA 0.989 56.795 55.803 0.005 0.000 0.879 72 Q CB -0.273 28.464 28.738 -0.001 0.000 0.947 72 Q HN 0.791 nan 8.270 nan 0.000 0.462 73 M N -0.222 119.387 119.600 0.014 0.000 2.123 73 M HA -0.132 4.353 4.480 0.009 0.000 0.263 73 M C 2.180 178.493 176.300 0.022 0.000 1.069 73 M CA 1.318 56.630 55.300 0.020 0.000 1.133 73 M CB -0.141 32.474 32.600 0.024 0.000 1.356 73 M HN 0.121 nan 8.290 nan 0.000 0.415 74 V N -2.159 117.767 119.914 0.021 0.000 2.809 74 V HA -0.147 3.979 4.120 0.009 0.000 0.256 74 V C 1.970 178.070 176.094 0.011 0.000 1.080 74 V CA 1.494 63.807 62.300 0.021 0.000 1.102 74 V CB -0.969 30.866 31.823 0.021 0.000 0.705 74 V HN 0.420 nan 8.190 nan 0.000 0.475 75 K N 0.062 120.466 120.400 0.006 0.000 2.057 75 K HA -0.174 4.151 4.320 0.009 0.000 0.206 75 K C 2.355 178.949 176.600 -0.010 0.000 1.050 75 K CA 1.547 57.833 56.287 -0.003 0.000 0.935 75 K CB -0.178 32.321 32.500 -0.002 0.000 0.715 75 K HN 0.491 nan 8.250 nan 0.000 0.439 76 E N 0.395 120.594 120.200 -0.002 0.000 2.114 76 E HA -0.202 4.153 4.350 0.009 0.000 0.199 76 E C 1.959 178.544 176.600 -0.026 0.000 1.008 76 E CA 1.637 58.034 56.400 -0.005 0.000 0.810 76 E CB -0.094 29.615 29.700 0.015 0.000 0.739 76 E HN 0.176 nan 8.360 nan 0.000 0.456 77 V N 1.104 121.013 119.914 -0.010 0.000 2.270 77 V HA -0.239 3.886 4.120 0.009 0.000 0.245 77 V C 2.572 178.604 176.094 -0.104 0.000 1.043 77 V CA 1.815 64.099 62.300 -0.026 0.000 1.014 77 V CB -1.274 30.577 31.823 0.046 0.000 0.645 77 V HN 0.242 nan 8.190 nan 0.000 0.447 78 A N 1.558 124.343 122.820 -0.058 0.000 1.903 78 A HA -0.300 4.025 4.320 0.009 0.000 0.219 78 A C 2.568 180.092 177.584 -0.100 0.000 1.191 78 A CA 3.183 55.181 52.037 -0.066 0.000 0.638 78 A CB -1.110 17.869 19.000 -0.036 0.000 0.823 78 A HN 0.768 nan 8.150 nan 0.000 0.451 79 S N -0.681 114.965 115.700 -0.089 0.000 2.402 79 S HA -0.113 4.362 4.470 0.009 0.000 0.229 79 S C 1.809 176.321 174.600 -0.146 0.000 1.021 79 S CA 1.443 59.590 58.200 -0.089 0.000 0.974 79 S CB -0.259 62.910 63.200 -0.051 0.000 0.800 79 S HN 0.618 nan 8.310 nan 0.000 0.484 80 K N 1.114 121.373 120.400 -0.236 0.000 2.167 80 K HA 0.265 4.590 4.320 0.009 0.000 0.203 80 K C 2.475 178.696 176.600 -0.632 0.000 1.052 80 K CA 0.756 56.799 56.287 -0.406 0.000 0.956 80 K CB -0.364 31.854 32.500 -0.470 0.000 0.735 80 K HN 0.466 nan 8.250 nan 0.000 0.451 81 A N 1.732 124.213 122.820 -0.565 0.000 1.933 81 A HA -0.224 4.101 4.320 0.009 0.000 0.218 81 A C 1.862 179.338 177.584 -0.180 0.000 1.175 81 A CA 1.886 53.703 52.037 -0.368 0.000 0.628 81 A CB -0.635 18.258 19.000 -0.179 0.000 0.814 81 A HN 0.296 nan 8.150 nan 0.000 0.444 82 N N 0.184 118.793 118.700 -0.151 0.000 2.223 82 N HA -0.143 4.602 4.740 0.009 0.000 0.185 82 N C 1.028 176.491 175.510 -0.079 0.000 1.016 82 N CA 1.703 54.695 53.050 -0.098 0.000 0.863 82 N CB -0.203 38.233 38.487 -0.085 0.000 0.983 82 N HN 0.413 nan 8.380 nan 0.000 0.429 83 D N -0.610 119.730 120.400 -0.101 0.000 2.224 83 D HA 0.009 4.655 4.640 0.009 0.000 0.205 83 D C 1.620 177.910 176.300 -0.017 0.000 0.965 83 D CA 0.944 54.910 54.000 -0.056 0.000 0.852 83 D CB -0.223 40.535 40.800 -0.070 0.000 0.947 83 D HN 0.416 nan 8.370 nan 0.000 0.494 84 A N 0.404 123.206 122.820 -0.031 0.000 1.903 84 A HA 0.295 4.620 4.320 0.009 0.000 0.213 84 A C 2.032 179.656 177.584 0.067 0.000 1.185 84 A CA 1.753 53.820 52.037 0.049 0.000 0.628 84 A CB 0.028 19.100 19.000 0.121 0.000 0.830 84 A HN 0.233 nan 8.150 nan 0.000 0.446 85 A N -3.596 119.254 122.820 0.050 0.000 1.933 85 A HA 0.477 4.802 4.320 0.009 0.000 0.198 85 A C 1.804 179.440 177.584 0.086 0.000 1.617 85 A CA 1.108 53.193 52.037 0.080 0.000 1.039 85 A CB -0.166 18.871 19.000 0.062 0.000 1.066 85 A HN 1.844 nan 8.150 nan 0.000 0.484 86 G N -0.669 108.127 108.800 -0.007 0.000 2.213 86 G HA2 -0.175 3.790 3.960 0.009 0.000 0.226 86 G HA3 -0.175 3.790 3.960 0.009 0.000 0.226 86 G C -0.096 174.756 174.900 -0.079 0.000 0.992 86 G CA 0.569 45.607 45.100 -0.104 0.000 0.632 86 G HN 0.814 nan 8.290 nan 0.000 0.511 87 D N -1.147 119.237 120.400 -0.027 0.000 2.423 87 D HA 0.593 5.238 4.640 0.009 0.000 0.235 87 D C 1.026 177.321 176.300 -0.010 0.000 1.011 87 D CA 0.773 54.762 54.000 -0.017 0.000 0.963 87 D CB 1.007 41.809 40.800 0.005 0.000 1.349 87 D HN 1.357 nan 8.370 nan 0.000 0.508 88 G N 0.604 109.400 108.800 -0.007 0.000 2.160 88 G HA2 -0.286 3.679 3.960 0.009 0.000 0.244 88 G HA3 -0.286 3.679 3.960 0.009 0.000 0.244 88 G C 0.907 175.804 174.900 -0.005 0.000 1.022 88 G CA 1.093 46.194 45.100 0.002 0.000 0.741 88 G HN 0.725 nan 8.290 nan 0.000 0.508 89 T N -3.543 110.999 114.554 -0.019 0.000 2.896 89 T HA -0.025 4.331 4.350 0.009 0.000 0.263 89 T C 2.265 176.957 174.700 -0.015 0.000 1.050 89 T CA 2.285 64.368 62.100 -0.027 0.000 1.140 89 T CB -0.360 68.485 68.868 -0.039 0.000 0.877 89 T HN 0.303 nan 8.240 nan 0.000 0.457 90 T N 2.338 116.886 114.554 -0.010 0.000 2.857 90 T HA -0.055 4.300 4.350 0.009 0.000 0.266 90 T C 2.228 176.930 174.700 0.003 0.000 1.048 90 T CA 1.704 63.801 62.100 -0.004 0.000 1.139 90 T CB -0.833 68.032 68.868 -0.004 0.000 0.874 90 T HN 0.557 nan 8.240 nan 0.000 0.455 91 T N 2.090 116.648 114.554 0.007 0.000 2.867 91 T HA 0.050 4.405 4.350 0.009 0.000 0.268 91 T C 2.433 177.146 174.700 0.021 0.000 1.057 91 T CA 0.939 63.047 62.100 0.014 0.000 1.136 91 T CB -0.486 68.392 68.868 0.017 0.000 0.874 91 T HN 0.425 nan 8.240 nan 0.000 0.466 92 A N 1.855 124.688 122.820 0.021 0.000 1.877 92 A HA -0.105 4.220 4.320 0.009 0.000 0.216 92 A C 2.590 180.191 177.584 0.028 0.000 1.186 92 A CA 1.957 54.014 52.037 0.033 0.000 0.620 92 A CB -1.311 17.706 19.000 0.028 0.000 0.822 92 A HN 0.462 nan 8.150 nan 0.000 0.443 93 T N 0.099 114.662 114.554 0.016 0.000 2.821 93 T HA -0.100 4.255 4.350 0.009 0.000 0.267 93 T C 1.951 176.660 174.700 0.015 0.000 1.046 93 T CA 1.740 63.848 62.100 0.014 0.000 1.139 93 T CB -0.645 68.226 68.868 0.006 0.000 0.871 93 T HN 0.602 nan 8.240 nan 0.000 0.454 94 V N -0.070 119.853 119.914 0.014 0.000 2.515 94 V HA 0.006 4.131 4.120 0.009 0.000 0.250 94 V C 2.213 178.317 176.094 0.017 0.000 1.058 94 V CA 1.231 63.539 62.300 0.013 0.000 1.064 94 V CB -1.078 30.752 31.823 0.011 0.000 0.675 94 V HN 0.384 nan 8.190 nan 0.000 0.461 95 L N 0.679 121.915 121.223 0.022 0.000 2.023 95 L HA 0.031 4.376 4.340 0.009 0.000 0.205 95 L C 3.086 179.971 176.870 0.026 0.000 1.073 95 L CA 1.670 56.525 54.840 0.025 0.000 0.745 95 L CB -0.925 41.153 42.059 0.032 0.000 0.900 95 L HN 0.383 nan 8.230 nan 0.000 0.435 96 A N -0.570 122.268 122.820 0.030 0.000 1.892 96 A HA -0.337 3.988 4.320 0.009 0.000 0.218 96 A C 2.252 179.851 177.584 0.024 0.000 1.188 96 A CA 2.227 54.283 52.037 0.031 0.000 0.631 96 A CB -0.760 18.261 19.000 0.035 0.000 0.822 96 A HN 0.531 nan 8.150 nan 0.000 0.447 97 Q N -0.777 119.035 119.800 0.020 0.000 2.061 97 Q HA -0.165 4.180 4.340 0.009 0.000 0.204 97 Q C 2.231 178.240 176.000 0.015 0.000 0.984 97 Q CA 1.741 57.554 55.803 0.017 0.000 0.846 97 Q CB -0.335 28.411 28.738 0.014 0.000 0.902 97 Q HN 0.628 nan 8.270 nan 0.000 0.421 98 A N 0.371 123.200 122.820 0.015 0.000 2.015 98 A HA -0.118 4.207 4.320 0.009 0.000 0.219 98 A C 1.892 179.484 177.584 0.014 0.000 1.163 98 A CA 1.088 53.133 52.037 0.013 0.000 0.646 98 A CB -0.461 18.547 19.000 0.013 0.000 0.806 98 A HN 0.464 nan 8.150 nan 0.000 0.448 99 I N -0.781 119.799 120.570 0.016 0.000 2.333 99 I HA -0.153 4.022 4.170 0.009 0.000 0.246 99 I C 2.213 178.339 176.117 0.016 0.000 1.106 99 I CA 0.929 62.239 61.300 0.016 0.000 1.411 99 I CB -0.307 37.704 38.000 0.019 0.000 1.082 99 I HN 0.234 nan 8.210 nan 0.000 0.420 100 I N 0.653 121.233 120.570 0.017 0.000 2.163 100 I HA -0.244 3.931 4.170 0.009 0.000 0.240 100 I C 2.592 178.718 176.117 0.014 0.000 1.081 100 I CA 1.632 62.942 61.300 0.017 0.000 1.353 100 I CB -0.600 37.411 38.000 0.019 0.000 1.054 100 I HN 0.227 nan 8.210 nan 0.000 0.407 101 T N 0.076 114.638 114.554 0.013 0.000 2.684 101 T HA -0.163 4.192 4.350 0.009 0.000 0.267 101 T C 1.782 176.487 174.700 0.009 0.000 1.036 101 T CA 1.247 63.354 62.100 0.011 0.000 1.148 101 T CB -0.213 68.661 68.868 0.009 0.000 0.863 101 T HN 0.271 nan 8.240 nan 0.000 0.436 102 E N 0.710 120.916 120.200 0.010 0.000 2.158 102 E HA 0.051 4.406 4.350 0.009 0.000 0.191 102 E C 2.537 179.143 176.600 0.009 0.000 0.982 102 E CA 0.802 57.207 56.400 0.009 0.000 0.823 102 E CB -0.737 28.968 29.700 0.009 0.000 0.766 102 E HN 0.571 nan 8.360 nan 0.000 0.468 103 G N 1.573 110.379 108.800 0.010 0.000 2.453 103 G HA2 -0.217 3.748 3.960 0.009 0.000 0.215 103 G HA3 -0.217 3.748 3.960 0.009 0.000 0.215 103 G C 1.717 176.623 174.900 0.010 0.000 1.201 103 G CA 0.508 45.615 45.100 0.011 0.000 0.784 103 G HN 0.180 nan 8.290 nan 0.000 0.545 104 L N 0.049 121.278 121.223 0.011 0.000 2.127 104 L HA -0.089 4.256 4.340 0.009 0.000 0.211 104 L C 2.921 179.796 176.870 0.008 0.000 1.089 104 L CA 1.152 55.998 54.840 0.010 0.000 0.757 104 L CB -0.346 41.719 42.059 0.010 0.000 0.899 104 L HN 0.204 nan 8.230 nan 0.000 0.434 105 K N 0.074 120.478 120.400 0.007 0.000 2.063 105 K HA -0.201 4.125 4.320 0.009 0.000 0.208 105 K C 2.202 178.805 176.600 0.006 0.000 1.048 105 K CA 1.536 57.826 56.287 0.006 0.000 0.928 105 K CB -0.177 32.326 32.500 0.005 0.000 0.713 105 K HN 0.329 nan 8.250 nan 0.000 0.442 106 A N 0.576 123.400 122.820 0.006 0.000 1.929 106 A HA -0.081 4.244 4.320 0.009 0.000 0.216 106 A C 2.247 179.835 177.584 0.006 0.000 1.176 106 A CA 1.139 53.179 52.037 0.006 0.000 0.628 106 A CB -0.365 18.639 19.000 0.007 0.000 0.816 106 A HN 0.084 nan 8.150 nan 0.000 0.444 107 V N -0.084 119.834 119.914 0.008 0.000 2.358 107 V HA -0.206 3.919 4.120 0.009 0.000 0.246 107 V C 2.952 179.050 176.094 0.007 0.000 1.047 107 V CA 1.822 64.127 62.300 0.009 0.000 1.035 107 V CB -1.326 30.504 31.823 0.011 0.000 0.658 107 V HN 0.560 nan 8.190 nan 0.000 0.452 108 A N 0.057 122.880 122.820 0.006 0.000 2.015 108 A HA 0.059 4.384 4.320 0.009 0.000 0.219 108 A C 2.345 179.932 177.584 0.004 0.000 1.163 108 A CA 1.615 53.654 52.037 0.005 0.000 0.646 108 A CB -0.563 18.439 19.000 0.004 0.000 0.806 108 A HN 0.563 nan 8.150 nan 0.000 0.448 109 A N -1.415 121.407 122.820 0.004 0.000 2.014 109 A HA 0.373 4.699 4.320 0.009 0.000 0.218 109 A C 1.628 179.214 177.584 0.003 0.000 1.163 109 A CA 1.459 53.498 52.037 0.003 0.000 0.652 109 A CB -0.665 18.337 19.000 0.003 0.000 0.808 109 A HN 1.881 nan 8.150 nan 0.000 0.449 110 G N -1.613 107.190 108.800 0.004 0.000 2.468 110 G HA2 -0.061 3.904 3.960 0.009 0.000 0.143 110 G HA3 -0.061 3.904 3.960 0.009 0.000 0.143 110 G C -0.277 174.626 174.900 0.004 0.000 1.065 110 G CA -0.030 45.072 45.100 0.003 0.000 0.776 110 G HN 0.284 nan 8.290 nan 0.000 0.486 111 M N -0.055 119.548 119.600 0.005 0.000 2.598 111 M HA 0.355 4.840 4.480 0.009 0.000 0.317 111 M C 0.407 176.711 176.300 0.006 0.000 1.179 111 M CA -0.763 54.540 55.300 0.005 0.000 0.936 111 M CB 1.795 34.398 32.600 0.005 0.000 1.713 111 M HN 0.218 nan 8.290 nan 0.000 0.460 112 N N 1.967 120.670 118.700 0.006 0.000 2.431 112 N HA 0.103 4.849 4.740 0.009 0.000 0.265 112 N C -1.994 173.521 175.510 0.008 0.000 1.184 112 N CA -1.330 51.724 53.050 0.007 0.000 0.943 112 N CB 0.962 39.452 38.487 0.006 0.000 1.080 112 N HN 0.275 nan 8.380 nan 0.000 0.477 113 P HA -0.179 nan 4.420 nan 0.000 0.215 113 P C 1.386 178.692 177.300 0.011 0.000 1.153 113 P CA 1.056 64.163 63.100 0.012 0.000 0.853 113 P CB 0.203 31.912 31.700 0.015 0.000 0.788 114 M N -0.672 118.935 119.600 0.010 0.000 2.213 114 M HA -0.128 4.357 4.480 0.009 0.000 0.263 114 M C 1.135 177.439 176.300 0.007 0.000 1.062 114 M CA 1.672 56.977 55.300 0.009 0.000 1.105 114 M CB -1.362 31.243 32.600 0.009 0.000 1.385 114 M HN -0.051 nan 8.290 nan 0.000 0.417 115 D N -0.038 120.366 120.400 0.006 0.000 2.194 115 D HA -0.004 4.641 4.640 0.009 0.000 0.204 115 D C 2.179 178.482 176.300 0.005 0.000 0.964 115 D CA 0.760 54.763 54.000 0.005 0.000 0.846 115 D CB -0.030 40.773 40.800 0.004 0.000 0.962 115 D HN 0.319 nan 8.370 nan 0.000 0.490 116 L N 0.611 121.838 121.223 0.006 0.000 2.109 116 L HA -0.098 4.247 4.340 0.009 0.000 0.207 116 L C 2.463 179.337 176.870 0.006 0.000 1.086 116 L CA 0.910 55.754 54.840 0.007 0.000 0.760 116 L CB -0.185 41.879 42.059 0.008 0.000 0.910 116 L HN -0.048 nan 8.230 nan 0.000 0.437 117 K N 0.552 120.956 120.400 0.007 0.000 2.002 117 K HA -0.187 4.139 4.320 0.009 0.000 0.209 117 K C 2.276 178.877 176.600 0.003 0.000 1.048 117 K CA 1.393 57.684 56.287 0.006 0.000 0.930 117 K CB 0.017 32.521 32.500 0.006 0.000 0.714 117 K HN 0.185 nan 8.250 nan 0.000 0.438 118 R N -0.393 120.108 120.500 0.002 0.000 2.120 118 R HA -0.084 4.261 4.340 0.009 0.000 0.234 118 R C 2.425 178.726 176.300 0.001 0.000 1.123 118 R CA 1.194 57.294 56.100 0.001 0.000 0.975 118 R CB -0.404 29.897 30.300 0.001 0.000 0.866 118 R HN 0.383 nan 8.270 nan 0.000 0.446 119 G N 1.145 109.946 108.800 0.002 0.000 2.418 119 G HA2 -0.219 3.746 3.960 0.009 0.000 0.217 119 G HA3 -0.219 3.746 3.960 0.009 0.000 0.217 119 G C 1.425 176.327 174.900 0.003 0.000 1.158 119 G CA 0.555 45.657 45.100 0.003 0.000 0.771 119 G HN 0.146 nan 8.290 nan 0.000 0.545 120 I N 0.902 121.474 120.570 0.003 0.000 2.142 120 I HA -0.130 4.045 4.170 0.009 0.000 0.240 120 I C 2.315 178.432 176.117 -0.000 0.000 1.078 120 I CA 1.284 62.586 61.300 0.003 0.000 1.343 120 I CB -0.175 37.828 38.000 0.005 0.000 1.046 120 I HN 0.033 nan 8.210 nan 0.000 0.405 121 D N 0.700 121.098 120.400 -0.003 0.000 2.178 121 D HA -0.202 4.444 4.640 0.009 0.000 0.201 121 D C 2.083 178.379 176.300 -0.008 0.000 0.980 121 D CA 1.147 55.142 54.000 -0.008 0.000 0.842 121 D CB -0.160 40.633 40.800 -0.011 0.000 0.948 121 D HN 0.290 nan 8.370 nan 0.000 0.472 122 K N 0.539 120.936 120.400 -0.004 0.000 2.103 122 K HA -0.027 4.298 4.320 0.009 0.000 0.204 122 K C 1.992 178.591 176.600 -0.001 0.000 1.052 122 K CA 0.936 57.221 56.287 -0.003 0.000 0.945 122 K CB 0.068 32.567 32.500 -0.001 0.000 0.722 122 K HN -0.020 nan 8.250 nan 0.000 0.443 123 A N 0.585 123.406 122.820 0.000 0.000 1.933 123 A HA -0.092 4.233 4.320 0.009 0.000 0.218 123 A C 2.159 179.744 177.584 0.002 0.000 1.175 123 A CA 1.343 53.381 52.037 0.003 0.000 0.628 123 A CB -0.423 18.580 19.000 0.005 0.000 0.814 123 A HN 0.160 nan 8.150 nan 0.000 0.444 124 V N -0.394 119.519 119.914 -0.001 0.000 2.323 124 V HA -0.186 3.939 4.120 0.009 0.000 0.244 124 V C 2.723 178.814 176.094 -0.006 0.000 1.041 124 V CA 2.379 64.677 62.300 -0.003 0.000 1.025 124 V CB -1.171 30.647 31.823 -0.009 0.000 0.656 124 V HN 0.598 nan 8.190 nan 0.000 0.451 125 T N 0.603 115.151 114.554 -0.009 0.000 2.803 125 T HA -0.173 4.182 4.350 0.009 0.000 0.269 125 T C 1.952 176.649 174.700 -0.004 0.000 1.052 125 T CA 1.574 63.668 62.100 -0.010 0.000 1.136 125 T CB -0.372 68.490 68.868 -0.011 0.000 0.864 125 T HN 0.553 nan 8.240 nan 0.000 0.467 126 A N 1.050 123.869 122.820 -0.001 0.000 1.970 126 A HA 0.400 4.725 4.320 0.009 0.000 0.216 126 A C 2.585 180.172 177.584 0.005 0.000 1.170 126 A CA 1.336 53.375 52.037 0.002 0.000 0.645 126 A CB -0.796 18.206 19.000 0.003 0.000 0.816 126 A HN 0.493 nan 8.150 nan 0.000 0.447 127 A N -0.517 122.306 122.820 0.005 0.000 1.929 127 A HA 0.087 4.412 4.320 0.009 0.000 0.216 127 A C 2.139 179.728 177.584 0.009 0.000 1.176 127 A CA 1.516 53.558 52.037 0.008 0.000 0.628 127 A CB -0.718 18.288 19.000 0.010 0.000 0.816 127 A HN 0.321 nan 8.150 nan 0.000 0.444 128 V N -0.040 119.877 119.914 0.005 0.000 2.427 128 V HA -0.202 3.923 4.120 0.009 0.000 0.248 128 V C 2.567 178.665 176.094 0.006 0.000 1.051 128 V CA 2.312 64.614 62.300 0.005 0.000 1.048 128 V CB -0.608 31.214 31.823 -0.003 0.000 0.666 128 V HN 0.597 nan 8.190 nan 0.000 0.456 129 E N 0.338 120.541 120.200 0.005 0.000 2.106 129 E HA -0.209 4.146 4.350 0.009 0.000 0.192 129 E C 2.122 178.727 176.600 0.008 0.000 0.984 129 E CA 1.271 57.675 56.400 0.006 0.000 0.806 129 E CB -0.168 29.535 29.700 0.004 0.000 0.750 129 E HN 0.607 nan 8.360 nan 0.000 0.458 130 E N -0.665 119.541 120.200 0.010 0.000 2.152 130 E HA -0.079 4.276 4.350 0.009 0.000 0.192 130 E C 1.752 178.361 176.600 0.015 0.000 0.983 130 E CA 0.423 56.830 56.400 0.012 0.000 0.818 130 E CB -0.197 29.511 29.700 0.013 0.000 0.758 130 E HN 0.212 nan 8.360 nan 0.000 0.467 131 L N 0.728 121.960 121.223 0.015 0.000 2.093 131 L HA -0.076 4.269 4.340 0.009 0.000 0.208 131 L C 1.838 178.718 176.870 0.017 0.000 1.085 131 L CA 1.654 56.505 54.840 0.017 0.000 0.755 131 L CB -0.165 41.905 42.059 0.018 0.000 0.904 131 L HN -0.001 nan 8.230 nan 0.000 0.435 132 K N -0.996 119.412 120.400 0.014 0.000 2.147 132 K HA -0.109 4.216 4.320 0.009 0.000 0.205 132 K C 2.004 178.612 176.600 0.014 0.000 1.049 132 K CA 1.179 57.474 56.287 0.014 0.000 0.936 132 K CB -0.258 32.249 32.500 0.011 0.000 0.722 132 K HN 0.407 nan 8.250 nan 0.000 0.446 133 A N 1.025 123.853 122.820 0.014 0.000 1.968 133 A HA -0.047 4.278 4.320 0.009 0.000 0.217 133 A C 1.935 179.529 177.584 0.016 0.000 1.169 133 A CA 0.817 52.862 52.037 0.014 0.000 0.638 133 A CB -0.274 18.733 19.000 0.013 0.000 0.812 133 A HN 0.211 nan 8.150 nan 0.000 0.446 134 L N -0.419 120.814 121.223 0.018 0.000 2.492 134 L HA 0.062 4.408 4.340 0.009 0.000 0.223 134 L C 1.089 177.971 176.870 0.021 0.000 1.132 134 L CA 0.081 54.934 54.840 0.021 0.000 0.850 134 L CB 0.007 42.080 42.059 0.024 0.000 0.966 134 L HN 0.352 nan 8.230 nan 0.000 0.454 135 S N -0.317 115.395 115.700 0.019 0.000 2.549 135 S HA 0.183 4.658 4.470 0.009 0.000 0.279 135 S C -0.197 174.413 174.600 0.017 0.000 1.321 135 S CA -0.489 57.722 58.200 0.018 0.000 1.054 135 S CB 0.896 64.106 63.200 0.017 0.000 0.899 135 S HN 0.002 nan 8.310 nan 0.000 0.497 136 V N 8.630 128.554 119.914 0.017 0.000 2.311 136 V HA 0.352 4.477 4.120 0.009 0.000 0.275 136 V C -2.093 174.009 176.094 0.013 0.000 1.022 136 V CA -1.785 60.524 62.300 0.015 0.000 0.830 136 V CB 0.813 32.646 31.823 0.016 0.000 1.012 136 V HN 0.745 nan 8.190 nan 0.000 0.452 137 P HA 0.204 nan 4.420 nan 0.000 0.272 137 P C -0.601 176.705 177.300 0.009 0.000 1.223 137 P CA -0.371 62.735 63.100 0.010 0.000 0.784 137 P CB 0.499 32.205 31.700 0.009 0.000 0.923 138 C N 2.319 121.624 119.300 0.008 0.000 2.250 138 C HA 0.306 4.771 4.460 0.009 0.000 0.319 138 C C 1.614 176.606 174.990 0.004 0.000 1.124 138 C CA 0.262 59.284 59.018 0.006 0.000 1.527 138 C CB -0.711 27.032 27.740 0.006 0.000 2.001 138 C HN 0.589 nan 8.230 nan 0.000 0.435 139 S N 1.402 117.105 115.700 0.004 0.000 2.431 139 S HA 0.022 4.497 4.470 0.009 0.000 0.210 139 S C 0.645 175.246 174.600 0.002 0.000 1.013 139 S CA 0.285 58.487 58.200 0.003 0.000 0.920 139 S CB -0.141 63.061 63.200 0.004 0.000 0.882 139 S HN 0.920 nan 8.310 nan 0.000 0.567 140 D N 1.950 122.351 120.400 0.002 0.000 2.362 140 D HA 0.064 4.709 4.640 0.009 0.000 0.242 140 D C 0.721 177.021 176.300 0.001 0.000 1.132 140 D CA 0.174 54.175 54.000 0.001 0.000 0.907 140 D CB 0.841 41.642 40.800 0.002 0.000 1.195 140 D HN 0.276 nan 8.370 nan 0.000 0.429 141 S N 0.177 115.877 115.700 -0.000 0.000 2.603 141 S HA -0.119 4.356 4.470 0.009 0.000 0.229 141 S C 1.375 175.974 174.600 -0.000 0.000 0.972 141 S CA 0.316 58.515 58.200 -0.001 0.000 0.935 141 S CB -0.186 63.013 63.200 -0.002 0.000 0.769 141 S HN 0.586 nan 8.310 nan 0.000 0.536 142 K N 1.024 121.425 120.400 0.001 0.000 2.166 142 K HA 0.298 4.623 4.320 0.009 0.000 0.201 142 K C 2.134 178.735 176.600 0.002 0.000 1.052 142 K CA 0.750 57.038 56.287 0.001 0.000 0.969 142 K CB -0.323 32.178 32.500 0.001 0.000 0.761 142 K HN 0.409 nan 8.250 nan 0.000 0.459 143 A N 0.719 123.541 122.820 0.002 0.000 2.072 143 A HA 0.043 4.368 4.320 0.009 0.000 0.216 143 A C 1.839 179.425 177.584 0.003 0.000 1.156 143 A CA 0.582 52.621 52.037 0.003 0.000 0.701 143 A CB -0.318 18.685 19.000 0.004 0.000 0.816 143 A HN 0.251 nan 8.150 nan 0.000 0.458 144 I N -0.290 120.281 120.570 0.002 0.000 2.315 144 I HA -0.224 3.951 4.170 0.009 0.000 0.248 144 I C 2.846 178.963 176.117 0.001 0.000 1.117 144 I CA 0.957 62.257 61.300 0.001 0.000 1.404 144 I CB -0.155 37.845 38.000 -0.000 0.000 1.071 144 I HN 0.339 nan 8.210 nan 0.000 0.419 145 A N 0.028 122.848 122.820 0.001 0.000 1.969 145 A HA -0.218 4.107 4.320 0.009 0.000 0.218 145 A C 2.241 179.826 177.584 0.001 0.000 1.169 145 A CA 1.287 53.324 52.037 0.001 0.000 0.635 145 A CB -0.455 18.545 19.000 0.000 0.000 0.810 145 A HN 0.447 nan 8.150 nan 0.000 0.445 146 Q N -0.500 119.301 119.800 0.002 0.000 2.119 146 Q HA -0.104 4.241 4.340 0.009 0.000 0.201 146 Q C 2.082 178.084 176.000 0.003 0.000 0.972 146 Q CA 1.600 57.404 55.803 0.002 0.000 0.847 146 Q CB -0.248 28.491 28.738 0.003 0.000 0.903 146 Q HN 0.538 nan 8.270 nan 0.000 0.433 147 V N -0.062 119.854 119.914 0.004 0.000 2.379 147 V HA -0.128 3.997 4.120 0.009 0.000 0.245 147 V C 2.180 178.278 176.094 0.007 0.000 1.044 147 V CA 1.855 64.158 62.300 0.006 0.000 1.036 147 V CB -0.949 30.879 31.823 0.008 0.000 0.664 147 V HN 0.477 nan 8.190 nan 0.000 0.453 148 G N -0.439 108.365 108.800 0.006 0.000 2.471 148 G HA2 -0.168 3.797 3.960 0.009 0.000 0.219 148 G HA3 -0.168 3.797 3.960 0.009 0.000 0.219 148 G C 1.619 176.521 174.900 0.004 0.000 1.125 148 G CA 1.392 46.495 45.100 0.006 0.000 0.775 148 G HN 0.487 nan 8.290 nan 0.000 0.548 149 T N 1.284 115.839 114.554 0.002 0.000 2.770 149 T HA 0.021 4.377 4.350 0.009 0.000 0.258 149 T C 2.358 177.057 174.700 -0.000 0.000 1.039 149 T CA 0.786 62.886 62.100 0.001 0.000 1.143 149 T CB -0.104 68.763 68.868 -0.000 0.000 0.866 149 T HN 0.269 nan 8.240 nan 0.000 0.428 150 I N 1.306 121.875 120.570 -0.001 0.000 2.761 150 I HA -0.042 4.133 4.170 0.009 0.000 0.261 150 I C 2.341 178.457 176.117 -0.002 0.000 1.198 150 I CA 0.624 61.923 61.300 -0.003 0.000 1.482 150 I CB -0.291 37.707 38.000 -0.004 0.000 1.100 150 I HN 0.123 nan 8.210 nan 0.000 0.445 151 S N 0.861 116.562 115.700 0.002 0.000 2.461 151 S HA 0.091 4.566 4.470 0.009 0.000 0.228 151 S C 1.669 176.271 174.600 0.004 0.000 1.005 151 S CA 0.917 59.120 58.200 0.005 0.000 0.942 151 S CB -0.030 63.177 63.200 0.012 0.000 0.776 151 S HN 0.499 nan 8.310 nan 0.000 0.514 152 A N 1.474 124.296 122.820 0.003 0.000 2.708 152 A HA 0.467 4.792 4.320 0.009 0.000 0.293 152 A C 0.430 178.012 177.584 -0.002 0.000 1.303 152 A CA -0.518 51.520 52.037 0.001 0.000 0.949 152 A CB -0.556 18.446 19.000 0.003 0.000 1.121 152 A HN 0.310 nan 8.150 nan 0.000 0.542 153 N N 0.202 118.899 118.700 -0.004 0.000 2.681 153 N HA -0.203 4.542 4.740 0.009 0.000 0.259 153 N C 0.197 175.702 175.510 -0.007 0.000 1.066 153 N CA 1.029 54.075 53.050 -0.007 0.000 0.717 153 N CB -1.876 36.606 38.487 -0.008 0.000 0.885 153 N HN 0.548 nan 8.380 nan 0.000 0.547 154 S N -1.112 114.584 115.700 -0.007 0.000 3.533 154 S HA -0.238 4.237 4.470 0.009 0.000 0.347 154 S C -0.333 174.264 174.600 -0.005 0.000 1.101 154 S CA 0.974 59.170 58.200 -0.006 0.000 1.009 154 S CB -0.808 62.386 63.200 -0.008 0.000 0.916 154 S HN 0.726 nan 8.310 nan 0.000 0.496 155 D N 0.864 121.262 120.400 -0.004 0.000 2.317 155 D HA 0.266 4.911 4.640 0.009 0.000 0.234 155 D C 0.982 177.281 176.300 -0.002 0.000 1.112 155 D CA -0.344 53.654 54.000 -0.003 0.000 0.840 155 D CB 0.771 41.570 40.800 -0.002 0.000 1.078 155 D HN 0.417 nan 8.370 nan 0.000 0.486 156 E N 1.165 121.364 120.200 -0.002 0.000 2.285 156 E HA -0.059 4.296 4.350 0.009 0.000 0.194 156 E C 1.320 177.919 176.600 -0.001 0.000 0.997 156 E CA 0.677 57.075 56.400 -0.002 0.000 0.845 156 E CB 0.430 30.129 29.700 -0.002 0.000 0.782 156 E HN 0.476 nan 8.360 nan 0.000 0.491 157 T N 0.569 115.122 114.554 -0.002 0.000 2.867 157 T HA -0.092 4.264 4.350 0.009 0.000 0.268 157 T C 2.112 176.811 174.700 -0.001 0.000 1.057 157 T CA 0.725 62.824 62.100 -0.002 0.000 1.136 157 T CB -0.063 68.803 68.868 -0.002 0.000 0.874 157 T HN -0.016 nan 8.240 nan 0.000 0.466 158 V N 1.667 121.581 119.914 -0.000 0.000 2.270 158 V HA -0.029 4.096 4.120 0.009 0.000 0.245 158 V C 2.952 179.046 176.094 0.001 0.000 1.043 158 V CA 1.943 64.243 62.300 0.001 0.000 1.014 158 V CB -1.403 30.421 31.823 0.002 0.000 0.645 158 V HN 0.564 nan 8.190 nan 0.000 0.447 159 G N -0.624 108.176 108.800 0.001 0.000 2.448 159 G HA2 -0.271 3.695 3.960 0.009 0.000 0.219 159 G HA3 -0.271 3.695 3.960 0.009 0.000 0.219 159 G C 1.642 176.541 174.900 -0.001 0.000 1.127 159 G CA 0.926 46.026 45.100 0.000 0.000 0.766 159 G HN 0.482 nan 8.290 nan 0.000 0.552 160 K N -0.176 120.224 120.400 -0.001 0.000 2.103 160 K HA 0.126 4.451 4.320 0.009 0.000 0.204 160 K C 2.418 179.016 176.600 -0.002 0.000 1.052 160 K CA 0.500 56.786 56.287 -0.002 0.000 0.945 160 K CB -0.183 32.316 32.500 -0.002 0.000 0.722 160 K HN 0.323 nan 8.250 nan 0.000 0.443 161 L N 0.766 121.987 121.223 -0.002 0.000 2.056 161 L HA -0.150 4.195 4.340 0.009 0.000 0.207 161 L C 2.266 179.133 176.870 -0.004 0.000 1.078 161 L CA 0.960 55.798 54.840 -0.003 0.000 0.749 161 L CB -0.272 41.786 42.059 -0.003 0.000 0.901 161 L HN 0.182 nan 8.230 nan 0.000 0.433 162 I N -0.180 120.388 120.570 -0.004 0.000 2.179 162 I HA -0.281 3.894 4.170 0.009 0.000 0.242 162 I C 2.793 178.906 176.117 -0.006 0.000 1.088 162 I CA 1.230 62.527 61.300 -0.005 0.000 1.357 162 I CB -0.569 37.428 38.000 -0.004 0.000 1.051 162 I HN 0.180 nan 8.210 nan 0.000 0.409 163 A N 0.326 123.143 122.820 -0.004 0.000 1.933 163 A HA -0.220 4.105 4.320 0.009 0.000 0.218 163 A C 2.252 179.834 177.584 -0.005 0.000 1.175 163 A CA 1.695 53.730 52.037 -0.004 0.000 0.628 163 A CB -0.553 18.445 19.000 -0.003 0.000 0.814 163 A HN 0.458 nan 8.150 nan 0.000 0.444 164 E N -0.562 119.635 120.200 -0.005 0.000 2.152 164 E HA -0.034 4.321 4.350 0.009 0.000 0.192 164 E C 2.268 178.864 176.600 -0.006 0.000 0.983 164 E CA 0.712 57.110 56.400 -0.005 0.000 0.818 164 E CB -0.187 29.511 29.700 -0.004 0.000 0.758 164 E HN 0.629 nan 8.360 nan 0.000 0.467 165 A N 0.915 123.731 122.820 -0.007 0.000 1.929 165 A HA -0.108 4.217 4.320 0.009 0.000 0.216 165 A C 2.076 179.654 177.584 -0.010 0.000 1.176 165 A CA 0.996 53.028 52.037 -0.009 0.000 0.628 165 A CB -0.271 18.723 19.000 -0.011 0.000 0.816 165 A HN 0.127 nan 8.150 nan 0.000 0.444 166 M N -1.078 118.517 119.600 -0.010 0.000 2.492 166 M HA -0.061 4.424 4.480 0.009 0.000 0.262 166 M C 1.221 177.516 176.300 -0.008 0.000 1.090 166 M CA 1.182 56.476 55.300 -0.010 0.000 1.110 166 M CB -0.290 32.304 32.600 -0.010 0.000 1.407 166 M HN 0.339 nan 8.290 nan 0.000 0.470 167 D N 0.372 120.768 120.400 -0.007 0.000 2.347 167 D HA -0.050 4.596 4.640 0.009 0.000 0.213 167 D C 2.002 178.298 176.300 -0.005 0.000 0.985 167 D CA 0.798 54.795 54.000 -0.005 0.000 0.879 167 D CB 0.433 41.231 40.800 -0.004 0.000 0.919 167 D HN 0.032 nan 8.370 nan 0.000 0.526 168 K N -0.460 119.936 120.400 -0.006 0.000 2.121 168 K HA 0.051 4.377 4.320 0.009 0.000 0.203 168 K C 1.911 178.508 176.600 -0.006 0.000 1.041 168 K CA 0.878 57.161 56.287 -0.006 0.000 0.969 168 K CB 0.029 32.526 32.500 -0.006 0.000 0.799 168 K HN 0.161 nan 8.250 nan 0.000 0.456 169 V N -2.473 117.436 119.914 -0.008 0.000 3.471 169 V HA 0.351 4.477 4.120 0.009 0.000 0.258 169 V C 0.842 176.931 176.094 -0.008 0.000 1.192 169 V CA 0.448 62.743 62.300 -0.008 0.000 1.116 169 V CB -0.295 31.523 31.823 -0.009 0.000 0.792 169 V HN 0.391 nan 8.190 nan 0.000 0.459 170 G N 0.939 109.734 108.800 -0.008 0.000 2.566 170 G HA2 -0.161 3.804 3.960 0.009 0.000 0.599 170 G HA3 -0.161 3.804 3.960 0.009 0.000 0.599 170 G C 0.008 174.902 174.900 -0.010 0.000 1.292 170 G CA 0.007 45.102 45.100 -0.008 0.000 0.922 170 G HN 0.272 nan 8.290 nan 0.000 0.514 171 K N 0.022 120.417 120.400 -0.008 0.000 2.228 171 K HA 0.059 4.384 4.320 0.009 0.000 0.202 171 K C 1.822 178.415 176.600 -0.012 0.000 1.051 171 K CA 1.411 57.692 56.287 -0.010 0.000 0.960 171 K CB 0.076 32.572 32.500 -0.007 0.000 0.743 171 K HN 0.464 nan 8.250 nan 0.000 0.458 172 E N 0.643 120.837 120.200 -0.010 0.000 2.447 172 E HA 0.025 4.380 4.350 0.009 0.000 0.195 172 E C 1.001 177.595 176.600 -0.011 0.000 1.028 172 E CA 0.071 56.465 56.400 -0.009 0.000 0.876 172 E CB 0.231 29.928 29.700 -0.005 0.000 0.885 172 E HN 0.235 nan 8.360 nan 0.000 0.500 173 G N 1.298 110.091 108.800 -0.012 0.000 2.664 173 G HA2 0.215 4.180 3.960 0.009 0.000 0.242 173 G HA3 0.215 4.180 3.960 0.009 0.000 0.242 173 G C 0.084 174.972 174.900 -0.019 0.000 1.225 173 G CA -0.434 44.658 45.100 -0.012 0.000 0.849 173 G HN -0.045 nan 8.290 nan 0.000 0.581 174 V N 1.192 121.096 119.914 -0.017 0.000 2.383 174 V HA 0.382 4.507 4.120 0.009 0.000 0.275 174 V C 0.144 176.222 176.094 -0.026 0.000 1.036 174 V CA -0.213 62.072 62.300 -0.025 0.000 0.889 174 V CB 0.813 32.624 31.823 -0.020 0.000 0.985 174 V HN 0.481 nan 8.190 nan 0.000 0.459 175 I N 4.256 124.805 120.570 -0.035 0.000 2.436 175 I HA 0.600 4.776 4.170 0.009 0.000 0.289 175 I C -0.039 176.058 176.117 -0.033 0.000 1.010 175 I CA -0.097 61.185 61.300 -0.031 0.000 1.098 175 I CB 2.225 40.205 38.000 -0.033 0.000 1.266 175 I HN 0.559 nan 8.210 nan 0.000 0.434 176 T N 4.585 119.125 114.554 -0.023 0.000 2.900 176 T HA 0.590 4.945 4.350 0.009 0.000 0.295 176 T C -0.598 174.096 174.700 -0.010 0.000 1.044 176 T CA -0.650 61.440 62.100 -0.017 0.000 0.995 176 T CB 2.498 71.355 68.868 -0.018 0.000 1.072 176 T HN 0.161 nan 8.240 nan 0.000 0.473 177 V N 2.928 122.840 119.914 -0.004 0.000 2.459 177 V HA 0.599 4.724 4.120 0.009 0.000 0.295 177 V C -0.157 175.936 176.094 -0.001 0.000 1.029 177 V CA -0.626 61.673 62.300 -0.001 0.000 0.874 177 V CB 1.518 33.345 31.823 0.006 0.000 0.985 177 V HN 1.030 nan 8.190 nan 0.000 0.438 178 E N 2.554 122.751 120.200 -0.004 0.000 2.445 178 E HA 0.499 4.854 4.350 0.009 0.000 0.273 178 E C -1.496 175.100 176.600 -0.005 0.000 0.961 178 E CA -1.125 55.272 56.400 -0.005 0.000 0.807 178 E CB 1.470 31.165 29.700 -0.008 0.000 1.362 178 E HN 0.450 nan 8.360 nan 0.000 0.453 179 D N 0.574 120.970 120.400 -0.007 0.000 2.443 179 D HA 0.150 4.796 4.640 0.009 0.000 0.239 179 D C 0.172 176.468 176.300 -0.007 0.000 1.136 179 D CA 0.541 54.537 54.000 -0.007 0.000 0.879 179 D CB 1.064 41.859 40.800 -0.008 0.000 1.195 179 D HN 0.536 nan 8.370 nan 0.000 0.443 180 G N -0.197 108.600 108.800 -0.006 0.000 2.537 180 G HA2 0.278 4.243 3.960 0.009 0.000 0.273 180 G HA3 0.278 4.243 3.960 0.009 0.000 0.273 180 G C 1.060 175.956 174.900 -0.007 0.000 1.189 180 G CA -0.227 44.869 45.100 -0.006 0.000 0.881 180 G HN 0.454 nan 8.290 nan 0.000 0.535 181 T N -2.331 112.219 114.554 -0.007 0.000 3.031 181 T HA 0.412 4.768 4.350 0.009 0.000 0.254 181 T C 1.270 175.967 174.700 -0.006 0.000 1.060 181 T CA 1.122 63.218 62.100 -0.007 0.000 1.135 181 T CB 0.253 69.117 68.868 -0.007 0.000 0.896 181 T HN 0.994 nan 8.240 nan 0.000 0.472 182 G N 0.835 109.632 108.800 -0.006 0.000 3.400 182 G HA2 0.460 4.425 3.960 0.009 0.000 0.167 182 G HA3 0.460 4.425 3.960 0.009 0.000 0.167 182 G C -0.226 174.671 174.900 -0.005 0.000 1.196 182 G CA -0.014 45.083 45.100 -0.005 0.000 1.174 182 G HN 0.254 nan 8.290 nan 0.000 0.681 183 L N -0.068 121.153 121.223 -0.004 0.000 2.664 183 L HA 0.550 4.895 4.340 0.009 0.000 0.233 183 L C 0.561 177.429 176.870 -0.004 0.000 1.113 183 L CA 0.529 55.366 54.840 -0.004 0.000 0.896 183 L CB 0.184 42.241 42.059 -0.004 0.000 1.163 183 L HN 0.407 nan 8.230 nan 0.000 0.497 184 Q N 0.079 119.877 119.800 -0.004 0.000 2.377 184 Q HA 0.285 4.630 4.340 0.009 0.000 0.271 184 Q C -1.172 174.825 176.000 -0.004 0.000 1.077 184 Q CA -0.884 54.917 55.803 -0.004 0.000 0.820 184 Q CB 1.785 30.521 28.738 -0.004 0.000 1.347 184 Q HN 0.081 nan 8.270 nan 0.000 0.444 185 D N 2.692 123.090 120.400 -0.004 0.000 2.371 185 D HA 0.057 4.702 4.640 0.009 0.000 0.256 185 D C -0.439 175.858 176.300 -0.004 0.000 1.193 185 D CA 0.602 54.600 54.000 -0.004 0.000 0.881 185 D CB 0.823 41.621 40.800 -0.003 0.000 1.143 185 D HN 0.332 nan 8.370 nan 0.000 0.473 186 E N 0.876 121.074 120.200 -0.005 0.000 2.212 186 E HA 0.562 4.917 4.350 0.009 0.000 0.270 186 E C -0.721 175.875 176.600 -0.006 0.000 0.956 186 E CA -1.031 55.366 56.400 -0.005 0.000 0.825 186 E CB 2.299 31.996 29.700 -0.006 0.000 1.167 186 E HN 0.110 nan 8.360 nan 0.000 0.400 187 L N 2.717 123.937 121.223 -0.006 0.000 2.555 187 L HA 0.357 4.702 4.340 0.009 0.000 0.264 187 L C -1.906 174.960 176.870 -0.006 0.000 0.972 187 L CA -0.276 54.561 54.840 -0.006 0.000 0.876 187 L CB 1.300 43.356 42.059 -0.006 0.000 1.216 187 L HN 0.383 nan 8.230 nan 0.000 0.415 188 D N 3.603 123.998 120.400 -0.007 0.000 2.433 188 D HA 0.552 5.197 4.640 0.009 0.000 0.236 188 D C -0.873 175.423 176.300 -0.007 0.000 1.026 188 D CA -0.289 53.706 54.000 -0.007 0.000 0.884 188 D CB 2.958 43.754 40.800 -0.007 0.000 1.384 188 D HN 0.200 nan 8.370 nan 0.000 0.477 189 V N 1.506 121.416 119.914 -0.007 0.000 2.313 189 V HA 0.305 4.430 4.120 0.009 0.000 0.278 189 V C 0.320 176.410 176.094 -0.006 0.000 1.017 189 V CA -0.699 61.597 62.300 -0.006 0.000 0.823 189 V CB 1.103 32.922 31.823 -0.006 0.000 1.010 189 V HN 0.419 nan 8.190 nan 0.000 0.443 190 V N 1.638 121.548 119.914 -0.006 0.000 2.850 190 V HA 0.647 4.772 4.120 0.009 0.000 0.315 190 V C 0.088 176.181 176.094 -0.003 0.000 1.064 190 V CA -0.986 61.311 62.300 -0.006 0.000 0.979 190 V CB 1.925 33.743 31.823 -0.008 0.000 1.039 190 V HN 0.673 nan 8.190 nan 0.000 0.452 191 E N 2.334 122.533 120.200 -0.002 0.000 2.238 191 E HA 0.495 4.850 4.350 0.009 0.000 0.264 191 E C 0.277 176.880 176.600 0.006 0.000 1.136 191 E CA 0.639 57.041 56.400 0.002 0.000 0.929 191 E CB 0.742 30.443 29.700 0.002 0.000 1.010 191 E HN 1.081 nan 8.360 nan 0.000 0.440 192 G N 1.700 110.506 108.800 0.010 0.000 2.721 192 G HA2 0.691 4.656 3.960 0.009 0.000 0.296 192 G HA3 0.691 4.656 3.960 0.009 0.000 0.296 192 G C -1.145 173.774 174.900 0.030 0.000 1.383 192 G CA -0.634 44.477 45.100 0.018 0.000 0.788 192 G HN 0.372 nan 8.290 nan 0.000 0.500 193 M N -0.050 119.579 119.600 0.047 0.000 2.520 193 M HA 0.500 4.985 4.480 0.009 0.000 0.280 193 M C -2.067 174.281 176.300 0.080 0.000 1.232 193 M CA -0.630 54.715 55.300 0.076 0.000 0.892 193 M CB 2.708 35.377 32.600 0.115 0.000 1.728 193 M HN 0.627 nan 8.290 nan 0.000 0.475 194 Q N 3.567 123.412 119.800 0.076 0.000 2.323 194 Q HA 0.629 4.974 4.340 0.009 0.000 0.271 194 Q C -2.101 173.953 176.000 0.090 0.000 1.048 194 Q CA -0.617 55.187 55.803 0.001 0.000 0.792 194 Q CB 1.988 30.697 28.738 -0.048 0.000 1.280 194 Q HN 0.591 nan 8.270 nan 0.000 0.441 195 F N 0.103 120.054 119.950 0.001 0.000 2.593 195 F HA 0.521 5.053 4.527 0.008 0.000 0.320 195 F C -0.135 175.668 175.800 0.005 0.000 1.060 195 F CA -1.156 56.848 58.000 0.006 0.000 0.940 195 F CB 1.065 40.070 39.000 0.009 0.000 1.268 195 F HN 0.335 nan 8.300 nan 0.000 0.475 196 D N 2.660 123.180 120.400 0.200 0.000 2.977 196 D HA 0.088 4.733 4.640 0.009 0.000 0.241 196 D C -0.259 176.109 176.300 0.113 0.000 1.206 196 D CA 0.368 54.424 54.000 0.093 0.000 0.902 196 D CB -0.163 40.694 40.800 0.094 0.000 1.131 196 D HN 0.306 nan 8.370 nan 0.000 0.447 197 R N 0.118 120.666 120.500 0.079 0.000 2.538 197 R HA 0.515 4.860 4.340 0.009 0.000 0.292 197 R C 0.369 176.616 176.300 -0.088 0.000 1.008 197 R CA -0.690 55.464 56.100 0.090 0.000 0.896 197 R CB 2.033 32.555 30.300 0.370 0.000 1.187 197 R HN 0.058 nan 8.270 nan 0.000 0.440 198 G N 1.124 109.860 108.800 -0.106 0.000 2.671 198 G HA2 0.404 4.369 3.960 0.009 0.000 0.275 198 G HA3 0.404 4.369 3.960 0.009 0.000 0.275 198 G C -0.656 174.173 174.900 -0.119 0.000 1.368 198 G CA -0.617 44.366 45.100 -0.196 0.000 1.044 198 G HN 0.485 nan 8.290 nan 0.000 0.543 199 Y N -1.225 119.092 120.300 0.029 0.000 2.597 199 Y HA 0.347 4.904 4.550 0.011 0.000 0.336 199 Y C 1.272 177.254 175.900 0.137 0.000 1.216 199 Y CA -0.781 57.361 58.100 0.070 0.000 1.463 199 Y CB 0.704 39.245 38.460 0.135 0.000 1.303 199 Y HN 0.237 nan 8.280 nan 0.000 0.576 200 L N 2.056 123.492 121.223 0.356 0.000 2.418 200 L HA 0.064 4.409 4.340 0.009 0.000 0.218 200 L C 0.329 177.412 176.870 0.356 0.000 1.125 200 L CA 0.790 55.802 54.840 0.287 0.000 0.835 200 L CB -0.044 42.156 42.059 0.235 0.000 0.953 200 L HN 0.901 nan 8.230 nan 0.000 0.454 201 S N -3.251 112.778 115.700 0.549 0.000 2.548 201 S HA 0.424 4.899 4.470 0.009 0.000 0.276 201 S C -2.234 172.609 174.600 0.404 0.000 1.129 201 S CA -1.234 57.186 58.200 0.366 0.000 0.931 201 S CB 1.647 64.906 63.200 0.099 0.000 1.068 201 S HN -0.245 nan 8.310 nan 0.000 0.480 202 P HA -0.099 nan 4.420 nan 0.000 0.216 202 P C 0.682 177.942 177.300 -0.067 0.000 1.150 202 P CA 1.281 64.433 63.100 0.087 0.000 0.843 202 P CB -0.228 31.590 31.700 0.196 0.000 0.787 203 Y N -2.788 117.388 120.300 -0.208 0.000 2.751 203 Y HA -0.103 4.449 4.550 0.004 0.000 0.310 203 Y C 1.477 177.185 175.900 -0.321 0.000 1.176 203 Y CA -0.023 57.918 58.100 -0.264 0.000 1.360 203 Y CB -0.791 37.500 38.460 -0.281 0.000 0.999 203 Y HN -0.068 nan 8.280 nan 0.000 0.532 204 F N -0.495 119.418 119.950 -0.061 0.000 2.664 204 F HA 0.090 4.623 4.527 0.011 0.000 0.296 204 F C 0.976 176.677 175.800 -0.165 0.000 1.125 204 F CA -0.432 57.514 58.000 -0.091 0.000 1.444 204 F CB -0.255 38.707 39.000 -0.065 0.000 1.114 204 F HN -0.169 nan 8.300 nan 0.000 0.576 205 I N 2.570 123.068 120.570 -0.120 0.000 2.741 205 I HA -0.129 4.046 4.170 0.009 0.000 0.288 205 I C 1.333 177.402 176.117 -0.081 0.000 1.192 205 I CA 0.039 61.247 61.300 -0.154 0.000 1.426 205 I CB 0.208 38.074 38.000 -0.224 0.000 1.367 205 I HN 0.215 nan 8.210 nan 0.000 0.563 206 N N 6.976 125.647 118.700 -0.048 0.000 2.324 206 N HA -0.006 4.739 4.740 0.009 0.000 0.192 206 N C 0.165 175.646 175.510 -0.049 0.000 1.046 206 N CA 0.529 53.557 53.050 -0.037 0.000 0.898 206 N CB 0.122 38.601 38.487 -0.014 0.000 1.079 206 N HN 0.486 nan 8.380 nan 0.000 0.456 207 K N 1.908 122.284 120.400 -0.040 0.000 2.339 207 K HA 0.337 4.662 4.320 0.009 0.000 0.264 207 K C -2.288 174.288 176.600 -0.040 0.000 0.986 207 K CA -1.846 54.417 56.287 -0.040 0.000 0.866 207 K CB 2.383 34.866 32.500 -0.029 0.000 1.103 207 K HN 0.175 nan 8.250 nan 0.000 0.441 208 P HA 0.077 nan 4.420 nan 0.000 0.237 208 P C -0.441 176.839 177.300 -0.032 0.000 1.723 208 P CA 0.151 63.224 63.100 -0.045 0.000 0.882 208 P CB 0.619 32.285 31.700 -0.057 0.000 1.810 209 E N -0.424 119.761 120.200 -0.025 0.000 2.152 209 E HA 0.001 4.356 4.350 0.009 0.000 0.195 209 E C 1.697 178.286 176.600 -0.018 0.000 0.934 209 E CA 1.304 57.691 56.400 -0.023 0.000 0.869 209 E CB -0.773 28.915 29.700 -0.019 0.000 0.842 209 E HN 0.105 nan 8.360 nan 0.000 0.472 210 T N -0.562 113.990 114.554 -0.004 0.000 3.055 210 T HA 0.139 4.494 4.350 0.009 0.000 0.265 210 T C 1.067 175.780 174.700 0.022 0.000 1.111 210 T CA 0.765 62.871 62.100 0.012 0.000 1.118 210 T CB -0.150 68.737 68.868 0.030 0.000 0.909 210 T HN 0.379 nan 8.240 nan 0.000 0.501 211 G N 1.382 110.192 108.800 0.017 0.000 2.326 211 G HA2 0.143 4.108 3.960 0.009 0.000 0.286 211 G HA3 0.143 4.108 3.960 0.009 0.000 0.286 211 G C -0.046 174.916 174.900 0.104 0.000 1.096 211 G CA -0.088 45.038 45.100 0.043 0.000 1.003 211 G HN 0.980 nan 8.290 nan 0.000 0.503 212 A N -1.294 121.558 122.820 0.053 0.000 2.612 212 A HA 0.875 5.200 4.320 0.009 0.000 0.293 212 A C -0.249 177.346 177.584 0.019 0.000 1.075 212 A CA -0.097 51.992 52.037 0.086 0.000 0.680 212 A CB 1.416 20.469 19.000 0.089 0.000 1.279 212 A HN 1.480 nan 8.150 nan 0.000 0.411 213 V N 0.800 120.737 119.914 0.039 0.000 2.583 213 V HA 0.501 4.627 4.120 0.009 0.000 0.287 213 V C 0.248 176.347 176.094 0.010 0.000 1.051 213 V CA -0.022 62.286 62.300 0.013 0.000 1.010 213 V CB 1.123 32.953 31.823 0.012 0.000 0.988 213 V HN 0.876 nan 8.190 nan 0.000 0.478 214 E N 3.863 124.064 120.200 0.002 0.000 2.241 214 E HA 0.645 5.000 4.350 0.009 0.000 0.263 214 E C -1.668 174.929 176.600 -0.004 0.000 0.882 214 E CA -0.536 55.863 56.400 -0.003 0.000 0.769 214 E CB 1.584 31.282 29.700 -0.003 0.000 1.185 214 E HN 0.626 nan 8.360 nan 0.000 0.415 215 L N 3.468 124.686 121.223 -0.009 0.000 2.381 215 L HA 0.467 4.812 4.340 0.009 0.000 0.274 215 L C -0.438 176.421 176.870 -0.020 0.000 0.988 215 L CA -0.746 54.088 54.840 -0.010 0.000 0.824 215 L CB 2.014 44.069 42.059 -0.007 0.000 1.263 215 L HN 0.464 nan 8.230 nan 0.000 0.410 216 E N 1.590 121.777 120.200 -0.021 0.000 2.197 216 E HA 0.281 4.636 4.350 0.009 0.000 0.281 216 E C -0.078 176.489 176.600 -0.055 0.000 0.995 216 E CA -0.433 55.947 56.400 -0.033 0.000 0.808 216 E CB 1.379 31.064 29.700 -0.026 0.000 1.093 216 E HN 0.617 nan 8.360 nan 0.000 0.394 217 S N 1.782 117.434 115.700 -0.079 0.000 3.614 217 S HA -0.121 4.354 4.470 0.009 0.000 0.360 217 S C -2.284 172.190 174.600 -0.210 0.000 1.023 217 S CA 0.266 58.383 58.200 -0.139 0.000 1.114 217 S CB -1.291 61.828 63.200 -0.135 0.000 0.907 217 S HN 0.463 nan 8.310 nan 0.000 0.470 218 P HA 0.541 nan 4.420 nan 0.000 0.284 218 P C 0.097 177.290 177.300 -0.178 0.000 1.258 218 P CA -0.661 62.367 63.100 -0.119 0.000 0.824 218 P CB 0.476 32.162 31.700 -0.023 0.000 1.038 219 F N 1.153 121.106 119.950 0.006 0.000 2.403 219 F HA 0.345 4.877 4.527 0.007 0.000 0.320 219 F C 0.948 176.752 175.800 0.008 0.000 1.176 219 F CA 0.241 58.245 58.000 0.007 0.000 1.206 219 F CB 0.245 39.249 39.000 0.007 0.000 1.235 219 F HN 0.091 nan 8.300 nan 0.000 0.565 220 I N 1.951 122.653 120.570 0.219 0.000 2.582 220 I HA 0.375 4.550 4.170 0.009 0.000 0.292 220 I C -1.201 174.977 176.117 0.100 0.000 1.066 220 I CA -0.502 60.873 61.300 0.125 0.000 1.053 220 I CB 1.955 40.008 38.000 0.088 0.000 1.241 220 I HN 0.333 nan 8.210 nan 0.000 0.421 221 L N 6.660 127.923 121.223 0.066 0.000 2.317 221 L HA 0.704 5.049 4.340 0.009 0.000 0.281 221 L C -1.458 175.426 176.870 0.024 0.000 1.024 221 L CA -0.214 54.648 54.840 0.037 0.000 0.810 221 L CB 1.266 43.339 42.059 0.024 0.000 1.240 221 L HN 0.477 nan 8.230 nan 0.000 0.427 222 L N 5.397 126.627 121.223 0.011 0.000 2.404 222 L HA 0.856 5.201 4.340 0.009 0.000 0.272 222 L C -0.822 176.043 176.870 -0.009 0.000 0.980 222 L CA -0.342 54.495 54.840 -0.005 0.000 0.836 222 L CB 1.775 43.827 42.059 -0.011 0.000 1.238 222 L HN 0.754 nan 8.230 nan 0.000 0.408 223 A N 1.612 124.425 122.820 -0.012 0.000 2.408 223 A HA 0.457 4.782 4.320 0.009 0.000 0.295 223 A C -1.057 176.519 177.584 -0.013 0.000 1.040 223 A CA -0.532 51.499 52.037 -0.010 0.000 0.707 223 A CB 1.461 20.460 19.000 -0.002 0.000 1.235 223 A HN 0.695 nan 8.150 nan 0.000 0.418 224 D N 1.601 121.993 120.400 -0.014 0.000 2.741 224 D HA 0.429 5.074 4.640 0.009 0.000 0.233 224 D C -0.098 176.200 176.300 -0.003 0.000 1.160 224 D CA 0.289 54.281 54.000 -0.013 0.000 1.003 224 D CB -0.364 40.426 40.800 -0.017 0.000 1.064 224 D HN 0.587 nan 8.370 nan 0.000 0.503 225 K N -0.498 119.903 120.400 0.002 0.000 2.587 225 K HA 0.354 4.679 4.320 0.009 0.000 0.276 225 K C -1.414 175.194 176.600 0.013 0.000 0.956 225 K CA -0.987 55.305 56.287 0.008 0.000 0.857 225 K CB 0.907 33.411 32.500 0.006 0.000 1.431 225 K HN -0.187 nan 8.250 nan 0.000 0.420 226 K N 2.812 123.222 120.400 0.017 0.000 2.316 226 K HA 0.289 4.614 4.320 0.009 0.000 0.289 226 K C -0.387 176.226 176.600 0.021 0.000 1.070 226 K CA -0.306 55.994 56.287 0.022 0.000 0.928 226 K CB 0.317 32.831 32.500 0.022 0.000 1.039 226 K HN 0.475 nan 8.250 nan 0.000 0.480 227 I N 3.068 123.653 120.570 0.026 0.000 2.471 227 I HA -0.078 4.098 4.170 0.009 0.000 0.294 227 I C 1.276 177.407 176.117 0.024 0.000 1.123 227 I CA -0.004 61.312 61.300 0.025 0.000 1.336 227 I CB 0.712 38.732 38.000 0.032 0.000 1.430 227 I HN 0.690 nan 8.210 nan 0.000 0.533 228 S N 5.066 120.777 115.700 0.019 0.000 2.355 228 S HA -0.017 4.458 4.470 0.009 0.000 0.210 228 S C 0.833 175.443 174.600 0.016 0.000 1.035 228 S CA 0.958 59.167 58.200 0.016 0.000 1.011 228 S CB 0.022 63.229 63.200 0.012 0.000 1.000 228 S HN 0.677 nan 8.310 nan 0.000 0.423 229 N N -0.079 118.630 118.700 0.014 0.000 2.362 229 N HA 0.355 5.101 4.740 0.009 0.000 0.299 229 N C 0.254 175.773 175.510 0.015 0.000 1.170 229 N CA -0.357 52.701 53.050 0.013 0.000 0.825 229 N CB 1.546 40.038 38.487 0.008 0.000 1.299 229 N HN 0.109 nan 8.380 nan 0.000 0.502 230 I N 0.686 121.265 120.570 0.015 0.000 3.001 230 I HA -0.033 4.142 4.170 0.009 0.000 0.268 230 I C 1.934 178.058 176.117 0.012 0.000 1.267 230 I CA 0.576 61.887 61.300 0.017 0.000 1.472 230 I CB 0.120 38.132 38.000 0.020 0.000 1.089 230 I HN 0.359 nan 8.210 nan 0.000 0.468 231 R N 0.664 121.169 120.500 0.008 0.000 2.366 231 R HA -0.097 4.249 4.340 0.009 0.000 0.201 231 R C 1.224 177.526 176.300 0.004 0.000 1.057 231 R CA 0.632 56.735 56.100 0.005 0.000 1.086 231 R CB -0.020 30.282 30.300 0.004 0.000 0.914 231 R HN 0.524 nan 8.270 nan 0.000 0.476 232 E N -1.271 118.932 120.200 0.006 0.000 2.391 232 E HA 0.043 4.398 4.350 0.009 0.000 0.206 232 E C 1.610 178.211 176.600 0.002 0.000 0.851 232 E CA -0.048 56.354 56.400 0.004 0.000 1.059 232 E CB 0.341 30.044 29.700 0.006 0.000 1.065 232 E HN 0.221 nan 8.360 nan 0.000 0.512 233 M N 0.842 120.446 119.600 0.007 0.000 2.200 233 M HA -0.041 4.444 4.480 0.009 0.000 0.265 233 M C 2.489 178.789 176.300 -0.000 0.000 1.066 233 M CA 0.819 56.122 55.300 0.006 0.000 1.127 233 M CB -0.749 31.862 32.600 0.018 0.000 1.379 233 M HN 0.157 nan 8.290 nan 0.000 0.420 234 L N 2.042 123.266 121.223 0.001 0.000 2.030 234 L HA -0.196 4.150 4.340 0.009 0.000 0.222 234 L C -0.642 176.221 176.870 -0.011 0.000 1.082 234 L CA 2.330 57.169 54.840 -0.002 0.000 0.785 234 L CB -1.642 40.417 42.059 -0.000 0.000 0.895 234 L HN 0.125 nan 8.230 nan 0.000 0.439 235 P HA -0.105 nan 4.420 nan 0.000 0.228 235 P C 1.629 178.908 177.300 -0.035 0.000 1.151 235 P CA 1.178 64.265 63.100 -0.022 0.000 0.770 235 P CB 0.135 31.824 31.700 -0.019 0.000 0.786 236 V N -0.284 119.608 119.914 -0.037 0.000 2.672 236 V HA -0.067 4.059 4.120 0.009 0.000 0.242 236 V C 2.698 178.753 176.094 -0.065 0.000 1.059 236 V CA 0.791 63.056 62.300 -0.058 0.000 1.081 236 V CB -0.845 30.949 31.823 -0.048 0.000 0.752 236 V HN -0.043 nan 8.190 nan 0.000 0.472 237 L N -0.038 121.164 121.223 -0.034 0.000 2.012 237 L HA -0.182 4.163 4.340 0.009 0.000 0.210 237 L C 2.134 178.988 176.870 -0.027 0.000 1.073 237 L CA 1.834 56.662 54.840 -0.020 0.000 0.748 237 L CB -0.626 41.436 42.059 0.005 0.000 0.891 237 L HN 0.350 nan 8.230 nan 0.000 0.431 238 E N -0.278 119.907 120.200 -0.025 0.000 2.463 238 E HA 0.036 4.392 4.350 0.009 0.000 0.191 238 E C 1.709 178.285 176.600 -0.040 0.000 1.083 238 E CA 0.347 56.733 56.400 -0.023 0.000 0.872 238 E CB 0.245 29.937 29.700 -0.013 0.000 0.966 238 E HN 0.455 nan 8.360 nan 0.000 0.491 239 A N 0.051 122.829 122.820 -0.070 0.000 2.014 239 A HA 0.010 4.335 4.320 0.009 0.000 0.210 239 A C 2.151 179.640 177.584 -0.159 0.000 1.188 239 A CA 0.129 52.105 52.037 -0.102 0.000 0.731 239 A CB 0.162 19.091 19.000 -0.117 0.000 0.858 239 A HN 0.123 nan 8.150 nan 0.000 0.464 240 V N 0.210 120.013 119.914 -0.186 0.000 2.667 240 V HA -0.137 3.989 4.120 0.009 0.000 0.252 240 V C 2.865 178.936 176.094 -0.037 0.000 1.065 240 V CA 1.530 63.691 62.300 -0.231 0.000 1.083 240 V CB -1.019 30.695 31.823 -0.182 0.000 0.692 240 V HN 0.543 nan 8.190 nan 0.000 0.468 241 A N -0.523 122.286 122.820 -0.019 0.000 1.969 241 A HA -0.104 4.221 4.320 0.009 0.000 0.218 241 A C 1.392 178.987 177.584 0.020 0.000 1.169 241 A CA 0.854 52.900 52.037 0.016 0.000 0.635 241 A CB -0.271 18.734 19.000 0.009 0.000 0.810 241 A HN 0.507 nan 8.150 nan 0.000 0.445 242 K N -0.848 119.551 120.400 -0.002 0.000 2.412 242 K HA 0.354 4.680 4.320 0.009 0.000 0.281 242 K C 0.957 177.580 176.600 0.039 0.000 1.027 242 K CA 0.439 56.730 56.287 0.008 0.000 0.989 242 K CB 0.361 32.855 32.500 -0.011 0.000 0.935 242 K HN 0.673 nan 8.250 nan 0.000 0.475 243 A N 3.036 125.890 122.820 0.057 0.000 4.159 243 A HA -0.201 4.124 4.320 0.009 0.000 0.263 243 A C 0.886 178.535 177.584 0.108 0.000 0.889 243 A CA 1.204 53.296 52.037 0.092 0.000 1.227 243 A CB -2.328 16.758 19.000 0.143 0.000 1.051 243 A HN 1.460 nan 8.150 nan 0.000 0.820 244 G N -0.965 107.899 108.800 0.106 0.000 2.460 244 G HA2 0.028 3.993 3.960 0.009 0.000 0.259 244 G HA3 0.028 3.993 3.960 0.009 0.000 0.259 244 G C -0.446 174.525 174.900 0.118 0.000 0.959 244 G CA 1.313 46.470 45.100 0.094 0.000 1.330 244 G HN 1.290 nan 8.290 nan 0.000 0.451 245 K N 1.483 121.992 120.400 0.181 0.000 2.508 245 K HA 0.583 4.908 4.320 0.009 0.000 0.260 245 K C -2.619 174.092 176.600 0.184 0.000 0.949 245 K CA -2.143 54.244 56.287 0.167 0.000 0.834 245 K CB 2.708 35.297 32.500 0.149 0.000 1.365 245 K HN 0.146 nan 8.250 nan 0.000 0.437 246 P HA 0.119 nan 4.420 nan 0.000 0.272 246 P C -1.347 176.045 177.300 0.152 0.000 1.230 246 P CA -0.569 62.594 63.100 0.106 0.000 0.788 246 P CB 0.497 32.230 31.700 0.055 0.000 0.949 247 L N 2.357 123.653 121.223 0.123 0.000 2.333 247 L HA 0.687 5.033 4.340 0.009 0.000 0.269 247 L C -1.487 175.420 176.870 0.062 0.000 1.010 247 L CA -0.973 53.946 54.840 0.131 0.000 0.818 247 L CB 1.656 43.780 42.059 0.108 0.000 1.306 247 L HN 0.148 nan 8.230 nan 0.000 0.430 248 L N 4.459 125.722 121.223 0.066 0.000 2.341 248 L HA 0.641 4.986 4.340 0.009 0.000 0.278 248 L C -1.324 175.566 176.870 0.033 0.000 1.005 248 L CA -0.241 54.615 54.840 0.027 0.000 0.818 248 L CB 1.546 43.629 42.059 0.040 0.000 1.259 248 L HN 0.433 nan 8.230 nan 0.000 0.418 249 I N 6.893 127.466 120.570 0.006 0.000 2.382 249 I HA 0.356 4.531 4.170 0.009 0.000 0.285 249 I C -0.442 175.694 176.117 0.033 0.000 1.007 249 I CA -0.279 61.032 61.300 0.018 0.000 1.142 249 I CB 1.216 39.223 38.000 0.011 0.000 1.289 249 I HN 0.522 nan 8.210 nan 0.000 0.453 250 I N 5.894 126.486 120.570 0.036 0.000 2.371 250 I HA 0.621 4.796 4.170 0.009 0.000 0.282 250 I C 0.229 176.346 176.117 -0.001 0.000 1.031 250 I CA -0.295 61.021 61.300 0.027 0.000 1.180 250 I CB 1.405 39.403 38.000 -0.003 0.000 1.336 250 I HN 0.605 nan 8.210 nan 0.000 0.467 251 A N 4.271 127.098 122.820 0.011 0.000 2.469 251 A HA 0.439 4.764 4.320 0.009 0.000 0.299 251 A C 0.874 178.464 177.584 0.011 0.000 1.098 251 A CA -0.559 51.483 52.037 0.008 0.000 0.737 251 A CB 1.548 20.560 19.000 0.020 0.000 1.312 251 A HN 0.763 nan 8.150 nan 0.000 0.414 252 E N -0.042 120.163 120.200 0.008 0.000 2.136 252 E HA -0.246 4.109 4.350 0.009 0.000 0.208 252 E C -0.006 176.613 176.600 0.032 0.000 1.035 252 E CA 2.185 58.595 56.400 0.017 0.000 0.838 252 E CB 0.126 29.838 29.700 0.019 0.000 0.748 252 E HN 0.658 nan 8.360 nan 0.000 0.459 253 D N -2.411 118.010 120.400 0.035 0.000 2.639 253 D HA 0.243 4.888 4.640 0.009 0.000 0.271 253 D C -1.756 174.574 176.300 0.050 0.000 1.254 253 D CA -0.523 53.505 54.000 0.046 0.000 0.810 253 D CB 2.293 43.119 40.800 0.043 0.000 1.351 253 D HN -0.127 nan 8.370 nan 0.000 0.427 254 V N 2.076 122.029 119.914 0.065 0.000 2.385 254 V HA 0.399 4.525 4.120 0.009 0.000 0.277 254 V C -0.368 175.771 176.094 0.075 0.000 1.012 254 V CA -0.586 61.759 62.300 0.073 0.000 0.832 254 V CB 1.232 33.114 31.823 0.098 0.000 1.028 254 V HN 0.363 nan 8.190 nan 0.000 0.436 255 E N 2.099 122.331 120.200 0.054 0.000 2.281 255 E HA 0.796 5.152 4.350 0.009 0.000 0.262 255 E C 0.767 177.386 176.600 0.031 0.000 0.933 255 E CA -0.056 56.369 56.400 0.042 0.000 0.809 255 E CB 2.266 31.985 29.700 0.032 0.000 1.242 255 E HN 0.811 nan 8.360 nan 0.000 0.418 256 G N 1.366 110.178 108.800 0.020 0.000 2.550 256 G HA2 -0.433 3.533 3.960 0.009 0.000 0.277 256 G HA3 -0.433 3.533 3.960 0.009 0.000 0.277 256 G C 0.919 175.823 174.900 0.007 0.000 1.190 256 G CA 0.594 45.699 45.100 0.009 0.000 0.971 256 G HN 0.713 nan 8.290 nan 0.000 0.559 257 E N 0.497 120.700 120.200 0.005 0.000 2.118 257 E HA -0.067 4.288 4.350 0.009 0.000 0.195 257 E C 2.925 179.533 176.600 0.013 0.000 0.992 257 E CA 1.857 58.258 56.400 0.003 0.000 0.804 257 E CB -0.438 29.264 29.700 0.003 0.000 0.741 257 E HN 0.885 nan 8.360 nan 0.000 0.458 258 A N 0.963 123.797 122.820 0.024 0.000 1.940 258 A HA -0.185 4.140 4.320 0.009 0.000 0.219 258 A C 2.095 179.714 177.584 0.059 0.000 1.176 258 A CA 1.362 53.422 52.037 0.039 0.000 0.631 258 A CB -0.536 18.488 19.000 0.040 0.000 0.814 258 A HN 0.369 nan 8.150 nan 0.000 0.446 259 L N -0.570 120.687 121.223 0.056 0.000 2.007 259 L HA 0.096 4.441 4.340 0.009 0.000 0.205 259 L C 2.677 179.564 176.870 0.029 0.000 1.073 259 L CA 2.195 57.082 54.840 0.078 0.000 0.744 259 L CB -0.763 41.336 42.059 0.067 0.000 0.898 259 L HN 0.279 nan 8.230 nan 0.000 0.435 260 A N -1.346 121.464 122.820 -0.015 0.000 1.972 260 A HA -0.180 4.145 4.320 0.009 0.000 0.219 260 A C 2.171 179.723 177.584 -0.053 0.000 1.169 260 A CA 2.246 54.245 52.037 -0.064 0.000 0.635 260 A CB -1.194 17.766 19.000 -0.066 0.000 0.810 260 A HN 0.579 nan 8.150 nan 0.000 0.446 261 T N -0.133 114.412 114.554 -0.014 0.000 3.043 261 T HA 0.107 4.462 4.350 0.009 0.000 0.263 261 T C 1.699 176.412 174.700 0.021 0.000 1.094 261 T CA 0.811 62.910 62.100 -0.002 0.000 1.127 261 T CB -0.181 68.691 68.868 0.007 0.000 0.905 261 T HN 0.331 nan 8.240 nan 0.000 0.490 262 L N 0.687 121.942 121.223 0.054 0.000 2.109 262 L HA -0.035 4.310 4.340 0.009 0.000 0.207 262 L C 2.584 179.505 176.870 0.084 0.000 1.086 262 L CA 0.703 55.618 54.840 0.124 0.000 0.760 262 L CB -0.448 41.751 42.059 0.233 0.000 0.910 262 L HN 0.140 nan 8.230 nan 0.000 0.437 263 V N -0.845 119.025 119.914 -0.073 0.000 2.295 263 V HA -0.249 3.876 4.120 0.009 0.000 0.246 263 V C 2.333 178.358 176.094 -0.115 0.000 1.049 263 V CA 1.499 63.639 62.300 -0.267 0.000 1.024 263 V CB -0.130 31.490 31.823 -0.337 0.000 0.648 263 V HN 0.189 nan 8.190 nan 0.000 0.447 264 V N 0.423 120.298 119.914 -0.066 0.000 2.626 264 V HA -0.223 3.903 4.120 0.009 0.000 0.252 264 V C 1.956 178.050 176.094 0.000 0.000 1.067 264 V CA 2.190 64.473 62.300 -0.030 0.000 1.081 264 V CB -0.940 30.865 31.823 -0.030 0.000 0.686 264 V HN 0.639 nan 8.190 nan 0.000 0.468 265 N N -0.219 118.491 118.700 0.018 0.000 2.333 265 N HA -0.117 4.628 4.740 0.009 0.000 0.178 265 N C 1.981 177.523 175.510 0.054 0.000 1.018 265 N CA 1.349 54.421 53.050 0.037 0.000 0.882 265 N CB -0.033 38.482 38.487 0.046 0.000 0.984 265 N HN 0.636 nan 8.380 nan 0.000 0.434 266 T N -0.593 114.008 114.554 0.078 0.000 2.812 266 T HA -0.095 4.260 4.350 0.009 0.000 0.264 266 T C 1.887 176.622 174.700 0.058 0.000 1.042 266 T CA 0.497 62.660 62.100 0.103 0.000 1.140 266 T CB -0.208 68.787 68.868 0.212 0.000 0.870 266 T HN 0.066 nan 8.240 nan 0.000 0.445 267 M N 0.857 120.475 119.600 0.029 0.000 2.080 267 M HA -0.059 4.426 4.480 0.009 0.000 0.260 267 M C 2.425 178.732 176.300 0.010 0.000 1.068 267 M CA 1.669 56.977 55.300 0.014 0.000 1.109 267 M CB -0.202 32.412 32.600 0.023 0.000 1.342 267 M HN 0.173 nan 8.290 nan 0.000 0.405 268 R N -0.393 120.115 120.500 0.014 0.000 2.323 268 R HA 0.030 4.375 4.340 0.009 0.000 0.198 268 R C 1.345 177.652 176.300 0.011 0.000 0.988 268 R CA 0.565 56.670 56.100 0.009 0.000 1.041 268 R CB -0.082 30.223 30.300 0.009 0.000 0.926 268 R HN 0.813 nan 8.270 nan 0.000 0.476 269 G N 1.312 110.124 108.800 0.019 0.000 2.317 269 G HA2 -0.287 3.678 3.960 0.009 0.000 0.227 269 G HA3 -0.287 3.678 3.960 0.009 0.000 0.227 269 G C 0.408 175.326 174.900 0.029 0.000 1.042 269 G CA -0.166 44.947 45.100 0.022 0.000 0.623 269 G HN 0.272 nan 8.290 nan 0.000 0.509 270 I N 2.505 123.091 120.570 0.027 0.000 2.933 270 I HA 0.269 4.445 4.170 0.009 0.000 0.301 270 I C 1.034 177.175 176.117 0.040 0.000 1.163 270 I CA 0.442 61.759 61.300 0.029 0.000 1.629 270 I CB -0.593 37.420 38.000 0.023 0.000 1.530 270 I HN 0.279 nan 8.210 nan 0.000 0.755 271 V N 4.656 124.597 119.914 0.044 0.000 3.607 271 V HA -0.261 3.864 4.120 0.009 0.000 0.511 271 V C 0.376 176.515 176.094 0.074 0.000 0.682 271 V CA 0.554 62.888 62.300 0.057 0.000 2.061 271 V CB -0.791 31.063 31.823 0.052 0.000 2.480 271 V HN 0.738 nan 8.190 nan 0.000 0.511 272 K N 4.205 124.652 120.400 0.078 0.000 2.227 272 K HA 0.730 5.055 4.320 0.009 0.000 0.280 272 K C -0.374 176.283 176.600 0.096 0.000 1.041 272 K CA -0.564 55.780 56.287 0.096 0.000 0.905 272 K CB 1.823 34.369 32.500 0.077 0.000 1.068 272 K HN 0.509 nan 8.250 nan 0.000 0.470 273 V N 0.724 120.713 119.914 0.125 0.000 3.102 273 V HA 0.784 4.909 4.120 0.009 0.000 0.312 273 V C -0.942 175.096 176.094 -0.093 0.000 1.135 273 V CA -1.211 61.127 62.300 0.063 0.000 1.022 273 V CB 1.969 33.854 31.823 0.103 0.000 1.056 273 V HN 0.839 nan 8.190 nan 0.000 0.436 274 A N 1.334 123.980 122.820 -0.289 0.000 2.408 274 A HA 0.904 5.229 4.320 0.009 0.000 0.295 274 A C -0.435 176.835 177.584 -0.524 0.000 1.040 274 A CA -0.182 51.420 52.037 -0.726 0.000 0.707 274 A CB 1.473 20.232 19.000 -0.401 0.000 1.235 274 A HN 1.621 nan 8.150 nan 0.000 0.418 275 A N 1.986 124.374 122.820 -0.719 0.000 2.260 275 A HA 0.703 5.028 4.320 0.009 0.000 0.314 275 A C -0.049 177.501 177.584 -0.056 0.000 1.257 275 A CA -0.180 51.744 52.037 -0.187 0.000 0.871 275 A CB 0.177 19.204 19.000 0.045 0.000 1.166 275 A HN 2.078 nan 8.150 nan 0.000 0.522 276 V N 0.333 120.266 119.914 0.031 0.000 2.841 276 V HA 0.562 4.687 4.120 0.009 0.000 0.310 276 V C -0.343 175.838 176.094 0.145 0.000 1.090 276 V CA -1.270 61.100 62.300 0.116 0.000 0.930 276 V CB 1.409 33.340 31.823 0.180 0.000 1.014 276 V HN 0.820 nan 8.190 nan 0.000 0.425 277 K N 2.057 122.550 120.400 0.155 0.000 2.319 277 K HA 0.641 4.966 4.320 0.009 0.000 0.265 277 K C 0.388 177.037 176.600 0.081 0.000 1.000 277 K CA 0.258 56.612 56.287 0.111 0.000 0.943 277 K CB 1.163 33.724 32.500 0.102 0.000 0.950 277 K HN 1.089 nan 8.250 nan 0.000 0.485 278 A N 4.006 126.811 122.820 -0.026 0.000 2.401 278 A HA 0.283 4.608 4.320 0.009 0.000 0.259 278 A C -1.994 175.526 177.584 -0.106 0.000 1.103 278 A CA -1.270 50.665 52.037 -0.170 0.000 0.789 278 A CB -0.197 18.726 19.000 -0.130 0.000 1.035 278 A HN 0.461 nan 8.150 nan 0.000 0.491 279 P HA 0.354 nan 4.420 nan 0.000 0.275 279 P C 0.970 178.296 177.300 0.044 0.000 1.270 279 P CA 1.029 64.121 63.100 -0.013 0.000 0.791 279 P CB 0.217 31.893 31.700 -0.040 0.000 1.089 280 G N 0.081 108.958 108.800 0.128 0.000 2.581 280 G HA2 -0.130 3.835 3.960 0.009 0.000 0.291 280 G HA3 -0.130 3.835 3.960 0.009 0.000 0.291 280 G C -0.608 174.507 174.900 0.358 0.000 1.277 280 G CA 0.729 45.963 45.100 0.223 0.000 0.959 280 G HN 0.849 nan 8.290 nan 0.000 0.554 281 F N -3.162 116.796 119.950 0.014 0.000 2.703 281 F HA 0.639 5.171 4.527 0.008 0.000 0.308 281 F C 0.982 176.787 175.800 0.009 0.000 1.126 281 F CA 0.314 58.319 58.000 0.009 0.000 0.959 281 F CB 0.821 39.830 39.000 0.014 0.000 1.297 281 F HN 2.346 nan 8.300 nan 0.000 0.441 282 G N 1.696 110.523 108.800 0.045 0.000 2.846 282 G HA2 -0.351 3.614 3.960 0.009 0.000 0.317 282 G HA3 -0.351 3.614 3.960 0.009 0.000 0.317 282 G C 0.626 175.470 174.900 -0.093 0.000 1.210 282 G CA 0.846 45.927 45.100 -0.031 0.000 0.972 282 G HN 0.833 nan 8.290 nan 0.000 0.567 283 D N 1.175 121.478 120.400 -0.162 0.000 2.162 283 D HA -0.000 4.645 4.640 0.009 0.000 0.205 283 D C 2.491 178.719 176.300 -0.121 0.000 0.964 283 D CA 1.360 55.289 54.000 -0.117 0.000 0.847 283 D CB -0.093 40.643 40.800 -0.107 0.000 0.988 283 D HN 0.680 nan 8.370 nan 0.000 0.480 284 R N 0.922 121.316 120.500 -0.177 0.000 2.320 284 R HA 0.186 4.532 4.340 0.009 0.000 0.211 284 R C 1.853 178.084 176.300 -0.114 0.000 0.931 284 R CA 0.037 56.056 56.100 -0.135 0.000 1.071 284 R CB -0.023 30.197 30.300 -0.134 0.000 1.025 284 R HN -0.032 nan 8.270 nan 0.000 0.495 285 R N 1.765 122.199 120.500 -0.111 0.000 2.062 285 R HA -0.040 4.305 4.340 0.009 0.000 0.231 285 R C 1.359 177.619 176.300 -0.066 0.000 1.136 285 R CA 1.636 57.698 56.100 -0.064 0.000 0.948 285 R CB 0.036 30.320 30.300 -0.026 0.000 0.845 285 R HN 0.199 nan 8.270 nan 0.000 0.430 286 K N -0.162 120.202 120.400 -0.059 0.000 2.097 286 K HA -0.063 4.263 4.320 0.009 0.000 0.205 286 K C 2.047 178.614 176.600 -0.055 0.000 1.050 286 K CA 1.270 57.526 56.287 -0.051 0.000 0.938 286 K CB -0.051 32.424 32.500 -0.041 0.000 0.718 286 K HN 0.243 nan 8.250 nan 0.000 0.442 287 A N 1.234 124.018 122.820 -0.059 0.000 1.854 287 A HA -0.097 4.228 4.320 0.009 0.000 0.214 287 A C 2.110 179.659 177.584 -0.058 0.000 1.192 287 A CA 1.193 53.197 52.037 -0.055 0.000 0.611 287 A CB -0.385 18.581 19.000 -0.056 0.000 0.832 287 A HN 0.143 nan 8.150 nan 0.000 0.442 288 M N -0.908 118.651 119.600 -0.069 0.000 2.279 288 M HA -0.070 4.415 4.480 0.009 0.000 0.264 288 M C 2.169 178.409 176.300 -0.101 0.000 1.062 288 M CA 1.174 56.429 55.300 -0.076 0.000 1.099 288 M CB -0.275 32.278 32.600 -0.078 0.000 1.394 288 M HN 0.527 nan 8.290 nan 0.000 0.426 289 L N -0.248 120.912 121.223 -0.106 0.000 2.095 289 L HA -0.206 4.139 4.340 0.009 0.000 0.204 289 L C 2.478 179.303 176.870 -0.075 0.000 1.080 289 L CA 1.296 56.066 54.840 -0.115 0.000 0.759 289 L CB -0.179 41.818 42.059 -0.104 0.000 0.914 289 L HN 0.209 nan 8.230 nan 0.000 0.439 290 Q N 0.090 119.857 119.800 -0.055 0.000 2.170 290 Q HA -0.243 4.102 4.340 0.009 0.000 0.203 290 Q C 1.678 177.660 176.000 -0.031 0.000 0.976 290 Q CA 1.909 57.690 55.803 -0.038 0.000 0.858 290 Q CB -0.192 28.527 28.738 -0.032 0.000 0.907 290 Q HN 0.477 nan 8.270 nan 0.000 0.433 291 D N -0.335 120.043 120.400 -0.036 0.000 2.158 291 D HA -0.169 4.476 4.640 0.009 0.000 0.197 291 D C 1.724 178.014 176.300 -0.017 0.000 0.995 291 D CA 1.448 55.433 54.000 -0.025 0.000 0.846 291 D CB -0.126 40.658 40.800 -0.026 0.000 0.941 291 D HN 0.424 nan 8.370 nan 0.000 0.456 292 I N 0.865 121.419 120.570 -0.028 0.000 2.353 292 I HA -0.155 4.020 4.170 0.009 0.000 0.248 292 I C 2.536 178.652 176.117 -0.003 0.000 1.119 292 I CA 0.764 62.057 61.300 -0.012 0.000 1.417 292 I CB -0.295 37.684 38.000 -0.035 0.000 1.078 292 I HN -0.111 nan 8.210 nan 0.000 0.421 293 A N 1.208 124.020 122.820 -0.012 0.000 1.908 293 A HA -0.211 4.114 4.320 0.009 0.000 0.218 293 A C 2.427 180.013 177.584 0.003 0.000 1.181 293 A CA 2.640 54.676 52.037 -0.003 0.000 0.627 293 A CB -1.205 17.790 19.000 -0.009 0.000 0.818 293 A HN 0.452 nan 8.150 nan 0.000 0.445 294 T N 0.336 114.889 114.554 -0.001 0.000 2.777 294 T HA -0.086 4.269 4.350 0.009 0.000 0.266 294 T C 1.858 176.561 174.700 0.005 0.000 1.040 294 T CA 1.130 63.230 62.100 0.001 0.000 1.141 294 T CB -0.369 68.497 68.868 -0.003 0.000 0.868 294 T HN 0.305 nan 8.240 nan 0.000 0.444 295 L N 2.272 123.499 121.223 0.007 0.000 2.083 295 L HA -0.098 4.247 4.340 0.009 0.000 0.209 295 L C 2.330 179.209 176.870 0.014 0.000 1.083 295 L CA 2.426 57.272 54.840 0.011 0.000 0.752 295 L CB -1.371 40.698 42.059 0.017 0.000 0.899 295 L HN 0.496 nan 8.230 nan 0.000 0.433 296 T N -3.934 110.631 114.554 0.018 0.000 3.057 296 T HA 0.215 4.571 4.350 0.009 0.000 0.254 296 T C 1.337 176.052 174.700 0.025 0.000 1.094 296 T CA 0.514 62.628 62.100 0.024 0.000 1.088 296 T CB -0.035 68.853 68.868 0.034 0.000 0.934 296 T HN 0.552 nan 8.240 nan 0.000 0.497 297 G N 0.625 109.438 108.800 0.022 0.000 2.212 297 G HA2 0.111 4.076 3.960 0.009 0.000 0.255 297 G HA3 0.111 4.076 3.960 0.009 0.000 0.255 297 G C 0.298 175.218 174.900 0.033 0.000 1.062 297 G CA -0.100 45.014 45.100 0.024 0.000 0.815 297 G HN 1.012 nan 8.290 nan 0.000 0.497 298 G N -1.598 107.220 108.800 0.030 0.000 3.212 298 G HA2 0.928 4.893 3.960 0.009 0.000 0.188 298 G HA3 0.928 4.893 3.960 0.009 0.000 0.188 298 G C -0.201 174.710 174.900 0.018 0.000 1.254 298 G CA 0.475 45.595 45.100 0.033 0.000 0.957 298 G HN 0.904 nan 8.290 nan 0.000 0.596 299 T N -1.359 113.203 114.554 0.014 0.000 2.838 299 T HA 0.614 4.970 4.350 0.009 0.000 0.292 299 T C -1.073 173.627 174.700 -0.001 0.000 1.113 299 T CA -0.468 61.635 62.100 0.005 0.000 1.008 299 T CB 1.852 70.722 68.868 0.003 0.000 1.259 299 T HN 0.421 nan 8.240 nan 0.000 0.520 300 V N 1.487 121.398 119.914 -0.006 0.000 2.555 300 V HA 0.546 4.671 4.120 0.009 0.000 0.302 300 V C -0.659 175.430 176.094 -0.009 0.000 1.038 300 V CA -0.860 61.434 62.300 -0.010 0.000 0.887 300 V CB 1.364 33.177 31.823 -0.016 0.000 0.991 300 V HN 0.727 nan 8.190 nan 0.000 0.434 301 I N 4.205 124.770 120.570 -0.009 0.000 2.354 301 I HA 0.531 4.706 4.170 0.009 0.000 0.286 301 I C 0.387 176.499 176.117 -0.007 0.000 1.007 301 I CA 0.040 61.336 61.300 -0.007 0.000 1.167 301 I CB 1.423 39.420 38.000 -0.005 0.000 1.320 301 I HN 0.716 nan 8.210 nan 0.000 0.458 302 S N 3.023 118.719 115.700 -0.007 0.000 2.726 302 S HA 0.505 4.980 4.470 0.009 0.000 0.308 302 S C 0.475 175.072 174.600 -0.004 0.000 1.115 302 S CA -0.813 57.383 58.200 -0.007 0.000 0.965 302 S CB 2.126 65.320 63.200 -0.009 0.000 1.145 302 S HN 0.608 nan 8.310 nan 0.000 0.532 303 E N 0.316 120.514 120.200 -0.003 0.000 2.140 303 E HA -0.001 4.354 4.350 0.009 0.000 0.191 303 E C 1.711 178.310 176.600 -0.001 0.000 0.973 303 E CA 0.420 56.819 56.400 -0.001 0.000 0.829 303 E CB -0.002 29.699 29.700 0.001 0.000 0.781 303 E HN 0.697 nan 8.360 nan 0.000 0.466 304 E N 0.731 120.929 120.200 -0.003 0.000 2.072 304 E HA -0.141 4.214 4.350 0.009 0.000 0.190 304 E C 2.159 178.757 176.600 -0.003 0.000 0.982 304 E CA 0.603 57.001 56.400 -0.003 0.000 0.803 304 E CB 0.054 29.752 29.700 -0.005 0.000 0.755 304 E HN 0.206 nan 8.360 nan 0.000 0.453 305 I N -0.505 120.063 120.570 -0.004 0.000 2.252 305 I HA -0.114 4.061 4.170 0.009 0.000 0.245 305 I C 1.006 177.121 176.117 -0.003 0.000 1.102 305 I CA 1.496 62.794 61.300 -0.004 0.000 1.385 305 I CB 0.306 38.302 38.000 -0.005 0.000 1.064 305 I HN 0.287 nan 8.210 nan 0.000 0.414 306 G N 1.098 109.896 108.800 -0.003 0.000 2.245 306 G HA2 -0.156 3.809 3.960 0.009 0.000 0.130 306 G HA3 -0.156 3.809 3.960 0.009 0.000 0.130 306 G C -0.053 174.845 174.900 -0.003 0.000 1.040 306 G CA -0.371 44.728 45.100 -0.003 0.000 0.713 306 G HN 0.209 nan 8.290 nan 0.000 0.488 307 M N 0.708 120.306 119.600 -0.003 0.000 2.205 307 M HA 0.467 4.952 4.480 0.009 0.000 0.344 307 M C 0.064 176.362 176.300 -0.003 0.000 1.085 307 M CA -0.294 55.004 55.300 -0.004 0.000 1.001 307 M CB 1.604 34.201 32.600 -0.005 0.000 1.626 307 M HN 0.229 nan 8.290 nan 0.000 0.442 308 E N 2.026 122.224 120.200 -0.004 0.000 2.235 308 E HA 0.341 4.697 4.350 0.009 0.000 0.265 308 E C 0.341 176.938 176.600 -0.005 0.000 0.940 308 E CA -0.550 55.848 56.400 -0.003 0.000 0.819 308 E CB 2.314 32.012 29.700 -0.003 0.000 1.206 308 E HN 0.675 nan 8.360 nan 0.000 0.409 309 L N 1.049 122.270 121.223 -0.004 0.000 2.131 309 L HA -0.162 4.184 4.340 0.009 0.000 0.210 309 L C 1.407 178.272 176.870 -0.009 0.000 1.092 309 L CA 1.322 56.159 54.840 -0.006 0.000 0.759 309 L CB -0.224 41.833 42.059 -0.003 0.000 0.903 309 L HN 0.538 nan 8.230 nan 0.000 0.435 310 E N -0.001 120.194 120.200 -0.008 0.000 2.461 310 E HA -0.121 4.234 4.350 0.009 0.000 0.196 310 E C 0.910 177.503 176.600 -0.011 0.000 1.129 310 E CA 0.264 56.658 56.400 -0.009 0.000 0.902 310 E CB 0.054 29.750 29.700 -0.007 0.000 0.963 310 E HN 0.248 nan 8.360 nan 0.000 0.503 311 K N 0.177 120.569 120.400 -0.013 0.000 2.684 311 K HA 0.241 4.566 4.320 0.009 0.000 0.189 311 K C -0.971 175.619 176.600 -0.016 0.000 1.154 311 K CA -0.134 56.145 56.287 -0.013 0.000 1.109 311 K CB 1.094 33.589 32.500 -0.010 0.000 0.826 311 K HN 0.030 nan 8.250 nan 0.000 0.501 312 A N 1.362 124.170 122.820 -0.020 0.000 2.280 312 A HA 0.420 4.745 4.320 0.009 0.000 0.320 312 A C 0.074 177.636 177.584 -0.037 0.000 1.366 312 A CA -0.328 51.695 52.037 -0.024 0.000 0.938 312 A CB 0.355 19.343 19.000 -0.021 0.000 1.157 312 A HN 0.192 nan 8.150 nan 0.000 0.536 313 T N 2.100 116.633 114.554 -0.036 0.000 2.770 313 T HA 0.293 4.649 4.350 0.009 0.000 0.281 313 T C 1.532 176.190 174.700 -0.069 0.000 0.981 313 T CA -0.411 61.659 62.100 -0.050 0.000 0.955 313 T CB 0.311 69.159 68.868 -0.034 0.000 1.060 313 T HN 0.347 nan 8.240 nan 0.000 0.531 314 L N 0.380 121.545 121.223 -0.098 0.000 2.191 314 L HA -0.050 4.296 4.340 0.009 0.000 0.212 314 L C 2.725 179.574 176.870 -0.034 0.000 1.103 314 L CA 1.431 56.185 54.840 -0.143 0.000 0.769 314 L CB -0.741 41.205 42.059 -0.188 0.000 0.908 314 L HN 0.748 nan 8.230 nan 0.000 0.438 315 E N 0.331 120.526 120.200 -0.008 0.000 2.118 315 E HA -0.251 4.104 4.350 0.009 0.000 0.195 315 E C 0.924 177.537 176.600 0.021 0.000 0.992 315 E CA 1.429 57.841 56.400 0.020 0.000 0.804 315 E CB 0.038 29.745 29.700 0.011 0.000 0.741 315 E HN 0.507 nan 8.360 nan 0.000 0.458 316 D N 0.065 120.467 120.400 0.003 0.000 2.378 316 D HA 0.038 4.683 4.640 0.009 0.000 0.227 316 D C -0.328 175.981 176.300 0.015 0.000 1.012 316 D CA 0.379 54.382 54.000 0.004 0.000 0.905 316 D CB 0.005 40.800 40.800 -0.008 0.000 0.895 316 D HN 0.077 nan 8.370 nan 0.000 0.532 317 L N -0.152 121.091 121.223 0.033 0.000 2.331 317 L HA 0.528 4.873 4.340 0.009 0.000 0.275 317 L C 1.131 178.074 176.870 0.121 0.000 1.022 317 L CA -0.670 54.214 54.840 0.074 0.000 0.812 317 L CB 1.895 43.998 42.059 0.074 0.000 1.257 317 L HN -0.133 nan 8.230 nan 0.000 0.435 318 G N 1.075 109.942 108.800 0.112 0.000 2.504 318 G HA2 0.601 4.566 3.960 0.009 0.000 0.288 318 G HA3 0.601 4.566 3.960 0.009 0.000 0.288 318 G C -0.973 174.000 174.900 0.121 0.000 1.182 318 G CA -0.279 44.879 45.100 0.096 0.000 0.894 318 G HN 0.542 nan 8.290 nan 0.000 0.521 319 Q N -1.212 118.620 119.800 0.053 0.000 2.416 319 Q HA 0.637 4.982 4.340 0.009 0.000 0.281 319 Q C -0.764 175.211 176.000 -0.041 0.000 1.067 319 Q CA -0.834 54.953 55.803 -0.026 0.000 0.809 319 Q CB 2.648 31.333 28.738 -0.090 0.000 1.418 319 Q HN 0.823 nan 8.270 nan 0.000 0.411 320 A N 0.757 123.531 122.820 -0.077 0.000 2.566 320 A HA 0.476 4.801 4.320 0.009 0.000 0.292 320 A C -0.437 177.100 177.584 -0.078 0.000 1.112 320 A CA -0.602 51.403 52.037 -0.054 0.000 0.707 320 A CB 1.519 20.505 19.000 -0.023 0.000 1.302 320 A HN 0.712 nan 8.150 nan 0.000 0.409 321 K N -0.633 119.734 120.400 -0.055 0.000 2.186 321 K HA 0.126 4.451 4.320 0.009 0.000 0.202 321 K C 0.603 177.174 176.600 -0.048 0.000 1.052 321 K CA 0.973 57.227 56.287 -0.055 0.000 0.965 321 K CB 0.234 32.710 32.500 -0.040 0.000 0.746 321 K HN 0.550 nan 8.250 nan 0.000 0.457 322 R N -0.209 120.269 120.500 -0.036 0.000 2.664 322 R HA 0.192 4.537 4.340 0.009 0.000 0.266 322 R C -2.027 174.260 176.300 -0.021 0.000 1.046 322 R CA -0.570 55.514 56.100 -0.028 0.000 0.885 322 R CB 1.936 32.222 30.300 -0.024 0.000 1.254 322 R HN -0.072 nan 8.270 nan 0.000 0.465 323 V N -0.149 119.753 119.914 -0.020 0.000 2.760 323 V HA 0.757 4.882 4.120 0.009 0.000 0.309 323 V C -1.075 175.004 176.094 -0.024 0.000 1.077 323 V CA -0.796 61.491 62.300 -0.021 0.000 0.910 323 V CB 2.019 33.833 31.823 -0.014 0.000 1.008 323 V HN 0.393 nan 8.190 nan 0.000 0.424 324 V N 5.562 125.455 119.914 -0.035 0.000 2.407 324 V HA 0.549 4.674 4.120 0.009 0.000 0.291 324 V C -0.333 175.737 176.094 -0.040 0.000 1.018 324 V CA -0.209 62.075 62.300 -0.025 0.000 0.842 324 V CB 1.506 33.318 31.823 -0.019 0.000 0.996 324 V HN 0.839 nan 8.190 nan 0.000 0.426 325 I N 5.171 125.741 120.570 0.000 0.000 2.502 325 I HA 0.380 4.555 4.170 0.009 0.000 0.276 325 I C 0.412 176.610 176.117 0.135 0.000 1.057 325 I CA -0.271 61.043 61.300 0.023 0.000 1.163 325 I CB 0.847 38.875 38.000 0.046 0.000 1.288 325 I HN 0.533 nan 8.210 nan 0.000 0.479 326 N N 4.145 122.880 118.700 0.058 0.000 2.332 326 N HA 0.180 4.926 4.740 0.009 0.000 0.285 326 N C 1.225 176.698 175.510 -0.061 0.000 1.292 326 N CA -0.095 53.008 53.050 0.089 0.000 0.947 326 N CB 0.704 39.212 38.487 0.035 0.000 1.084 326 N HN 0.432 nan 8.380 nan 0.000 0.529 327 K N 0.189 120.501 120.400 -0.148 0.000 2.076 327 K HA -0.006 4.319 4.320 0.009 0.000 0.204 327 K C -0.169 176.227 176.600 -0.340 0.000 1.051 327 K CA 1.099 57.114 56.287 -0.453 0.000 0.949 327 K CB 0.160 32.545 32.500 -0.191 0.000 0.726 327 K HN 0.413 nan 8.250 nan 0.000 0.443 328 D N 0.281 120.580 120.400 -0.169 0.000 2.479 328 D HA 0.071 4.716 4.640 0.009 0.000 0.218 328 D C -0.467 175.772 176.300 -0.102 0.000 1.177 328 D CA 0.237 54.170 54.000 -0.111 0.000 0.830 328 D CB 1.257 42.025 40.800 -0.054 0.000 1.014 328 D HN 0.102 nan 8.370 nan 0.000 0.503 329 T N -0.584 113.889 114.554 -0.134 0.000 2.903 329 T HA 0.569 4.924 4.350 0.009 0.000 0.299 329 T C -0.349 174.204 174.700 -0.245 0.000 1.093 329 T CA -0.597 61.404 62.100 -0.164 0.000 1.002 329 T CB 2.672 71.478 68.868 -0.103 0.000 1.127 329 T HN -0.307 nan 8.240 nan 0.000 0.488 330 T N 1.681 115.980 114.554 -0.425 0.000 3.109 330 T HA 0.634 4.989 4.350 0.009 0.000 0.311 330 T C -0.937 173.482 174.700 -0.469 0.000 1.011 330 T CA -0.583 61.215 62.100 -0.505 0.000 1.026 330 T CB 1.790 70.153 68.868 -0.842 0.000 1.047 330 T HN 0.830 nan 8.240 nan 0.000 0.448 331 T N 3.642 118.056 114.554 -0.233 0.000 2.848 331 T HA 0.761 5.116 4.350 0.009 0.000 0.285 331 T C -0.729 173.933 174.700 -0.064 0.000 0.995 331 T CA -0.648 61.373 62.100 -0.132 0.000 0.970 331 T CB 0.313 69.128 68.868 -0.088 0.000 0.976 331 T HN 0.478 nan 8.240 nan 0.000 0.441 332 I N 4.685 125.245 120.570 -0.016 0.000 2.498 332 I HA 0.596 4.771 4.170 0.009 0.000 0.301 332 I C -0.389 175.730 176.117 0.003 0.000 0.984 332 I CA -1.108 60.199 61.300 0.010 0.000 1.204 332 I CB 1.849 39.881 38.000 0.054 0.000 1.362 332 I HN 0.526 nan 8.210 nan 0.000 0.471 333 I N 3.448 124.016 120.570 -0.003 0.000 2.533 333 I HA 0.285 4.461 4.170 0.009 0.000 0.290 333 I C -1.088 175.023 176.117 -0.011 0.000 1.056 333 I CA -0.493 60.802 61.300 -0.008 0.000 1.057 333 I CB 1.795 39.786 38.000 -0.014 0.000 1.240 333 I HN 0.611 nan 8.210 nan 0.000 0.423 334 D N 4.667 125.062 120.400 -0.008 0.000 4.733 334 D HA -0.118 4.527 4.640 0.009 0.000 0.239 334 D C -0.245 176.048 176.300 -0.011 0.000 1.075 334 D CA 0.933 54.927 54.000 -0.011 0.000 1.258 334 D CB 0.147 40.937 40.800 -0.018 0.000 0.761 334 D HN 0.812 nan 8.370 nan 0.000 0.378 335 G N 1.979 110.777 108.800 -0.004 0.000 2.322 335 G HA2 0.466 4.432 3.960 0.009 0.000 0.309 335 G HA3 0.466 4.432 3.960 0.009 0.000 0.309 335 G C 1.289 176.187 174.900 -0.003 0.000 1.121 335 G CA -0.556 44.544 45.100 -0.000 0.000 0.886 335 G HN 0.364 nan 8.290 nan 0.000 0.447 336 V N 2.739 122.650 119.914 -0.005 0.000 3.444 336 V HA 0.038 4.163 4.120 0.009 0.000 0.271 336 V C 1.979 178.075 176.094 0.003 0.000 1.188 336 V CA 0.641 62.938 62.300 -0.004 0.000 1.168 336 V CB -1.216 30.603 31.823 -0.008 0.000 0.810 336 V HN 0.711 nan 8.190 nan 0.000 0.500 337 G N 0.654 109.458 108.800 0.006 0.000 2.432 337 G HA2 0.152 4.117 3.960 0.009 0.000 0.239 337 G HA3 0.152 4.117 3.960 0.009 0.000 0.239 337 G C 0.061 174.963 174.900 0.004 0.000 1.291 337 G CA -0.357 44.747 45.100 0.007 0.000 0.863 337 G HN 0.377 nan 8.290 nan 0.000 0.560 338 E N 1.155 121.357 120.200 0.004 0.000 2.534 338 E HA -0.068 4.288 4.350 0.009 0.000 0.264 338 E C 0.872 177.472 176.600 0.001 0.000 0.981 338 E CA 0.100 56.502 56.400 0.003 0.000 0.948 338 E CB 0.845 30.547 29.700 0.003 0.000 0.934 338 E HN 0.524 nan 8.360 nan 0.000 0.459 339 E N 1.491 121.692 120.200 0.000 0.000 2.268 339 E HA -0.140 4.215 4.350 0.009 0.000 0.195 339 E C 1.488 178.087 176.600 -0.001 0.000 0.995 339 E CA 0.948 57.347 56.400 -0.001 0.000 0.836 339 E CB 0.075 29.774 29.700 -0.001 0.000 0.763 339 E HN 0.550 nan 8.360 nan 0.000 0.491 340 A N 0.830 123.649 122.820 -0.001 0.000 1.911 340 A HA 0.219 4.544 4.320 0.009 0.000 0.212 340 A C 2.337 179.920 177.584 -0.001 0.000 1.189 340 A CA 1.057 53.093 52.037 -0.001 0.000 0.639 340 A CB -0.262 18.737 19.000 -0.001 0.000 0.839 340 A HN 0.222 nan 8.150 nan 0.000 0.449 341 A N 0.206 123.025 122.820 -0.001 0.000 1.972 341 A HA -0.052 4.273 4.320 0.009 0.000 0.219 341 A C 2.040 179.623 177.584 -0.002 0.000 1.169 341 A CA 1.489 53.525 52.037 -0.001 0.000 0.635 341 A CB -0.605 18.395 19.000 0.001 0.000 0.810 341 A HN 0.486 nan 8.150 nan 0.000 0.446 342 I N -1.254 119.316 120.570 -0.001 0.000 2.252 342 I HA -0.232 3.944 4.170 0.009 0.000 0.245 342 I C 2.640 178.755 176.117 -0.003 0.000 1.102 342 I CA 1.532 62.831 61.300 -0.001 0.000 1.385 342 I CB -0.237 37.764 38.000 0.000 0.000 1.064 342 I HN 0.303 nan 8.210 nan 0.000 0.414 343 Q N 0.961 120.759 119.800 -0.003 0.000 2.291 343 Q HA -0.077 4.269 4.340 0.009 0.000 0.205 343 Q C 2.061 178.058 176.000 -0.005 0.000 0.970 343 Q CA 1.441 57.242 55.803 -0.004 0.000 0.876 343 Q CB -0.302 28.434 28.738 -0.003 0.000 0.935 343 Q HN 0.509 nan 8.270 nan 0.000 0.455 344 G N -0.472 108.325 108.800 -0.005 0.000 2.403 344 G HA2 -0.248 3.717 3.960 0.009 0.000 0.216 344 G HA3 -0.248 3.717 3.960 0.009 0.000 0.216 344 G C 1.521 176.417 174.900 -0.007 0.000 1.154 344 G CA 0.486 45.583 45.100 -0.005 0.000 0.784 344 G HN 0.198 nan 8.290 nan 0.000 0.538 345 R N -0.077 120.419 120.500 -0.007 0.000 2.236 345 R HA 0.162 4.507 4.340 0.009 0.000 0.208 345 R C 2.470 178.764 176.300 -0.011 0.000 1.036 345 R CA 0.404 56.498 56.100 -0.010 0.000 1.001 345 R CB -0.418 29.876 30.300 -0.010 0.000 0.896 345 R HN 0.236 nan 8.270 nan 0.000 0.464 346 V N 0.095 120.003 119.914 -0.009 0.000 2.295 346 V HA -0.205 3.920 4.120 0.009 0.000 0.246 346 V C 2.189 178.276 176.094 -0.010 0.000 1.049 346 V CA 2.015 64.310 62.300 -0.009 0.000 1.024 346 V CB -0.690 31.129 31.823 -0.007 0.000 0.648 346 V HN 0.467 nan 8.190 nan 0.000 0.447 347 A N -1.248 121.567 122.820 -0.009 0.000 1.968 347 A HA -0.212 4.114 4.320 0.009 0.000 0.217 347 A C 2.115 179.693 177.584 -0.011 0.000 1.169 347 A CA 1.343 53.374 52.037 -0.009 0.000 0.638 347 A CB -0.397 18.598 19.000 -0.008 0.000 0.812 347 A HN 0.612 nan 8.150 nan 0.000 0.446 348 Q N -1.014 118.778 119.800 -0.012 0.000 2.435 348 Q HA 0.097 4.442 4.340 0.009 0.000 0.207 348 Q C 1.306 177.296 176.000 -0.017 0.000 0.956 348 Q CA 0.759 56.554 55.803 -0.013 0.000 0.917 348 Q CB -0.025 28.705 28.738 -0.013 0.000 0.997 348 Q HN 0.782 nan 8.270 nan 0.000 0.497 349 I N -1.435 119.125 120.570 -0.018 0.000 3.790 349 I HA -0.013 4.162 4.170 0.009 0.000 0.305 349 I C 2.105 178.209 176.117 -0.021 0.000 1.253 349 I CA 0.034 61.321 61.300 -0.022 0.000 1.355 349 I CB 0.160 38.146 38.000 -0.024 0.000 1.137 349 I HN -0.048 nan 8.210 nan 0.000 0.435 350 R N 1.052 121.542 120.500 -0.017 0.000 2.148 350 R HA -0.147 4.198 4.340 0.009 0.000 0.227 350 R C 2.243 178.535 176.300 -0.014 0.000 1.103 350 R CA 1.285 57.376 56.100 -0.015 0.000 0.983 350 R CB -0.001 30.292 30.300 -0.012 0.000 0.874 350 R HN 0.341 nan 8.270 nan 0.000 0.451 351 Q N -0.662 119.130 119.800 -0.014 0.000 2.245 351 Q HA -0.107 4.238 4.340 0.009 0.000 0.201 351 Q C 1.588 177.580 176.000 -0.014 0.000 0.955 351 Q CA 0.779 56.574 55.803 -0.013 0.000 0.870 351 Q CB 0.368 29.099 28.738 -0.011 0.000 0.945 351 Q HN 0.336 nan 8.270 nan 0.000 0.461 352 Q N 0.143 119.933 119.800 -0.018 0.000 2.123 352 Q HA -0.074 4.271 4.340 0.009 0.000 0.199 352 Q C 2.081 178.067 176.000 -0.023 0.000 0.966 352 Q CA 0.869 56.660 55.803 -0.021 0.000 0.845 352 Q CB 0.023 28.745 28.738 -0.026 0.000 0.907 352 Q HN 0.468 nan 8.270 nan 0.000 0.439 353 I N 1.020 121.575 120.570 -0.025 0.000 2.142 353 I HA -0.250 3.925 4.170 0.009 0.000 0.240 353 I C 2.224 178.329 176.117 -0.020 0.000 1.078 353 I CA 1.127 62.411 61.300 -0.027 0.000 1.343 353 I CB -0.294 37.690 38.000 -0.027 0.000 1.046 353 I HN 0.101 nan 8.210 nan 0.000 0.405 354 E N 0.966 121.157 120.200 -0.015 0.000 2.110 354 E HA -0.148 4.207 4.350 0.009 0.000 0.193 354 E C 0.668 177.263 176.600 -0.009 0.000 0.988 354 E CA 1.005 57.398 56.400 -0.011 0.000 0.804 354 E CB -0.168 29.526 29.700 -0.010 0.000 0.745 354 E HN 0.580 nan 8.360 nan 0.000 0.458 355 E N 0.344 120.538 120.200 -0.010 0.000 2.360 355 E HA 0.398 4.753 4.350 0.009 0.000 0.253 355 E C -0.923 175.672 176.600 -0.007 0.000 1.189 355 E CA -0.307 56.088 56.400 -0.008 0.000 1.252 355 E CB 0.903 30.599 29.700 -0.007 0.000 1.408 355 E HN 0.010 nan 8.360 nan 0.000 0.464 356 A N 1.051 123.868 122.820 -0.006 0.000 2.332 356 A HA 0.307 4.632 4.320 0.009 0.000 0.300 356 A C 1.000 178.586 177.584 0.003 0.000 1.153 356 A CA -0.669 51.366 52.037 -0.003 0.000 0.764 356 A CB 0.737 19.731 19.000 -0.010 0.000 1.174 356 A HN 0.356 nan 8.150 nan 0.000 0.467 357 T N -0.315 114.244 114.554 0.008 0.000 2.896 357 T HA 0.050 4.405 4.350 0.009 0.000 0.263 357 T C 1.172 175.884 174.700 0.020 0.000 1.050 357 T CA 1.240 63.347 62.100 0.011 0.000 1.140 357 T CB -0.214 68.660 68.868 0.010 0.000 0.877 357 T HN 0.639 nan 8.240 nan 0.000 0.457 358 S N 1.280 116.997 115.700 0.029 0.000 2.523 358 S HA 0.194 4.669 4.470 0.009 0.000 0.275 358 S C 0.587 175.221 174.600 0.057 0.000 1.281 358 S CA -0.530 57.700 58.200 0.050 0.000 1.050 358 S CB 0.884 64.126 63.200 0.070 0.000 0.937 358 S HN 0.366 nan 8.310 nan 0.000 0.492 359 D N 2.497 122.939 120.400 0.070 0.000 2.317 359 D HA -0.034 4.611 4.640 0.009 0.000 0.211 359 D C 1.247 177.600 176.300 0.089 0.000 0.966 359 D CA 0.783 54.820 54.000 0.062 0.000 0.876 359 D CB 0.008 40.842 40.800 0.056 0.000 0.927 359 D HN 0.752 nan 8.370 nan 0.000 0.519 360 Y N 0.516 120.816 120.300 0.001 0.000 2.269 360 Y HA -0.033 4.522 4.550 0.008 0.000 0.294 360 Y C 1.704 177.603 175.900 -0.002 0.000 1.120 360 Y CA 1.177 59.278 58.100 0.002 0.000 1.159 360 Y CB -0.094 38.370 38.460 0.005 0.000 1.024 360 Y HN -0.138 nan 8.280 nan 0.000 0.532 361 D N 0.556 120.889 120.400 -0.110 0.000 2.133 361 D HA -0.243 4.402 4.640 0.009 0.000 0.195 361 D C 2.160 178.332 176.300 -0.214 0.000 0.997 361 D CA 1.437 55.321 54.000 -0.193 0.000 0.840 361 D CB -0.301 40.473 40.800 -0.043 0.000 0.947 361 D HN 0.362 nan 8.370 nan 0.000 0.452 362 R N 0.581 121.000 120.500 -0.134 0.000 2.127 362 R HA -0.145 4.200 4.340 0.009 0.000 0.238 362 R C 1.949 178.172 176.300 -0.128 0.000 1.134 362 R CA 1.022 57.062 56.100 -0.101 0.000 0.975 362 R CB 0.182 30.449 30.300 -0.055 0.000 0.865 362 R HN 0.124 nan 8.270 nan 0.000 0.447 363 E N 0.259 120.343 120.200 -0.195 0.000 2.028 363 E HA -0.129 4.226 4.350 0.009 0.000 0.190 363 E C 1.731 178.210 176.600 -0.201 0.000 0.984 363 E CA 1.048 57.337 56.400 -0.185 0.000 0.800 363 E CB 0.132 29.715 29.700 -0.195 0.000 0.758 363 E HN 0.182 nan 8.360 nan 0.000 0.448 364 K N 0.463 120.670 120.400 -0.323 0.000 2.305 364 K HA 0.083 4.408 4.320 0.009 0.000 0.199 364 K C 2.299 178.812 176.600 -0.145 0.000 1.047 364 K CA 0.105 56.252 56.287 -0.233 0.000 0.976 364 K CB -0.032 32.285 32.500 -0.306 0.000 0.765 364 K HN 0.137 nan 8.250 nan 0.000 0.474 365 L N 1.076 122.212 121.223 -0.144 0.000 2.141 365 L HA -0.141 4.204 4.340 0.009 0.000 0.209 365 L C 2.532 179.363 176.870 -0.066 0.000 1.094 365 L CA 1.006 55.792 54.840 -0.091 0.000 0.763 365 L CB -0.199 41.811 42.059 -0.082 0.000 0.908 365 L HN 0.142 nan 8.230 nan 0.000 0.437 366 Q N 0.095 119.854 119.800 -0.069 0.000 2.119 366 Q HA -0.195 4.151 4.340 0.009 0.000 0.201 366 Q C 1.663 177.641 176.000 -0.037 0.000 0.972 366 Q CA 1.259 57.033 55.803 -0.047 0.000 0.847 366 Q CB -0.042 28.668 28.738 -0.046 0.000 0.903 366 Q HN 0.573 nan 8.270 nan 0.000 0.433 367 E N -0.081 120.093 120.200 -0.045 0.000 2.512 367 E HA -0.031 4.325 4.350 0.009 0.000 0.195 367 E C 1.576 178.166 176.600 -0.017 0.000 1.083 367 E CA -0.037 56.348 56.400 -0.025 0.000 0.873 367 E CB 0.280 29.966 29.700 -0.024 0.000 0.897 367 E HN 0.155 nan 8.360 nan 0.000 0.514 368 R N -0.321 120.163 120.500 -0.026 0.000 2.167 368 R HA 0.006 4.351 4.340 0.009 0.000 0.201 368 R C 2.295 178.587 176.300 -0.013 0.000 1.024 368 R CA 0.853 56.942 56.100 -0.019 0.000 1.053 368 R CB 0.246 30.527 30.300 -0.032 0.000 0.987 368 R HN 0.118 nan 8.270 nan 0.000 0.493 369 V N -1.728 118.176 119.914 -0.017 0.000 2.871 369 V HA 0.127 4.252 4.120 0.009 0.000 0.256 369 V C 2.191 178.281 176.094 -0.007 0.000 1.082 369 V CA 1.431 63.723 62.300 -0.012 0.000 1.105 369 V CB -0.574 31.240 31.823 -0.016 0.000 0.713 369 V HN 0.130 nan 8.190 nan 0.000 0.473 370 A N 0.558 123.374 122.820 -0.007 0.000 2.015 370 A HA -0.077 4.248 4.320 0.009 0.000 0.219 370 A C 2.263 179.849 177.584 0.004 0.000 1.163 370 A CA 1.768 53.803 52.037 -0.003 0.000 0.646 370 A CB -0.381 18.617 19.000 -0.004 0.000 0.806 370 A HN 0.604 nan 8.150 nan 0.000 0.448 371 K N -1.616 118.790 120.400 0.010 0.000 2.361 371 K HA 0.255 4.580 4.320 0.009 0.000 0.194 371 K C 1.323 177.935 176.600 0.021 0.000 1.032 371 K CA 0.096 56.396 56.287 0.023 0.000 1.048 371 K CB 0.178 32.703 32.500 0.041 0.000 0.842 371 K HN 0.353 nan 8.250 nan 0.000 0.526 372 L N -0.350 120.880 121.223 0.011 0.000 2.356 372 L HA 0.247 4.592 4.340 0.009 0.000 0.193 372 L C 1.573 178.446 176.870 0.004 0.000 1.087 372 L CA 1.161 56.006 54.840 0.008 0.000 0.817 372 L CB 0.054 42.114 42.059 0.001 0.000 1.035 372 L HN -0.036 nan 8.230 nan 0.000 0.482 373 A N -1.318 121.502 122.820 -0.000 0.000 2.348 373 A HA 0.399 4.724 4.320 0.009 0.000 0.224 373 A C 1.872 179.454 177.584 -0.002 0.000 1.227 373 A CA 0.470 52.505 52.037 -0.002 0.000 0.885 373 A CB -0.664 18.333 19.000 -0.004 0.000 0.933 373 A HN 0.438 nan 8.150 nan 0.000 0.506 374 G N -0.142 108.657 108.800 -0.001 0.000 2.396 374 G HA2 0.403 4.368 3.960 0.009 0.000 0.214 374 G HA3 0.403 4.368 3.960 0.009 0.000 0.214 374 G C 1.002 175.901 174.900 -0.002 0.000 1.166 374 G CA 0.720 45.819 45.100 -0.002 0.000 0.793 374 G HN 1.682 nan 8.290 nan 0.000 0.533 375 G N -2.187 106.613 108.800 0.001 0.000 2.525 375 G HA2 0.207 4.172 3.960 0.009 0.000 0.685 375 G HA3 0.207 4.172 3.960 0.009 0.000 0.685 375 G C -1.261 173.639 174.900 -0.001 0.000 1.290 375 G CA -0.383 44.717 45.100 -0.000 0.000 0.915 375 G HN 0.946 nan 8.290 nan 0.000 0.548 376 V N 0.585 120.498 119.914 -0.003 0.000 2.524 376 V HA 0.717 4.842 4.120 0.009 0.000 0.297 376 V C 0.666 176.755 176.094 -0.008 0.000 1.035 376 V CA -0.033 62.264 62.300 -0.006 0.000 0.867 376 V CB 1.238 33.059 31.823 -0.004 0.000 1.004 376 V HN 2.144 nan 8.190 nan 0.000 0.426 377 A N 4.827 127.641 122.820 -0.011 0.000 2.363 377 A HA 0.795 5.120 4.320 0.009 0.000 0.270 377 A C -0.517 177.060 177.584 -0.012 0.000 1.121 377 A CA -0.320 51.711 52.037 -0.011 0.000 0.800 377 A CB 0.966 19.959 19.000 -0.012 0.000 1.052 377 A HN 0.761 nan 8.150 nan 0.000 0.493 378 V N 4.240 124.147 119.914 -0.010 0.000 2.443 378 V HA 0.344 4.469 4.120 0.009 0.000 0.293 378 V C -0.479 175.610 176.094 -0.009 0.000 1.021 378 V CA -0.108 62.186 62.300 -0.010 0.000 0.848 378 V CB 1.263 33.080 31.823 -0.010 0.000 0.998 378 V HN 0.733 nan 8.190 nan 0.000 0.424 379 I N 4.564 125.129 120.570 -0.008 0.000 2.354 379 I HA 0.494 4.670 4.170 0.009 0.000 0.292 379 I C 0.018 176.131 176.117 -0.006 0.000 0.989 379 I CA -0.564 60.733 61.300 -0.007 0.000 1.188 379 I CB 1.455 39.452 38.000 -0.005 0.000 1.342 379 I HN 0.422 nan 8.210 nan 0.000 0.457 380 K N 5.756 126.152 120.400 -0.006 0.000 2.389 380 K HA 0.452 4.777 4.320 0.009 0.000 0.261 380 K C -0.925 175.672 176.600 -0.005 0.000 1.014 380 K CA -0.616 55.667 56.287 -0.006 0.000 0.920 380 K CB 1.882 34.378 32.500 -0.007 0.000 1.149 380 K HN 0.353 nan 8.250 nan 0.000 0.444 381 V N 2.447 122.358 119.914 -0.004 0.000 2.508 381 V HA 0.271 4.396 4.120 0.009 0.000 0.281 381 V C 0.817 176.908 176.094 -0.004 0.000 1.041 381 V CA -0.370 61.928 62.300 -0.003 0.000 1.016 381 V CB 1.029 32.850 31.823 -0.002 0.000 0.984 381 V HN 0.877 nan 8.190 nan 0.000 0.478 382 G N 2.710 111.508 108.800 -0.004 0.000 2.481 382 G HA2 0.873 4.838 3.960 0.009 0.000 0.315 382 G HA3 0.873 4.838 3.960 0.009 0.000 0.315 382 G C -0.687 174.210 174.900 -0.004 0.000 1.231 382 G CA -0.003 45.095 45.100 -0.004 0.000 0.968 382 G HN 1.165 nan 8.290 nan 0.000 0.482 383 A N -0.444 122.374 122.820 -0.004 0.000 2.524 383 A HA 0.854 5.180 4.320 0.009 0.000 0.303 383 A C 0.752 178.334 177.584 -0.004 0.000 1.195 383 A CA 0.474 52.509 52.037 -0.004 0.000 0.651 383 A CB 0.503 19.501 19.000 -0.004 0.000 1.323 383 A HN 1.819 nan 8.150 nan 0.000 0.479 384 A N -0.727 122.090 122.820 -0.004 0.000 1.924 384 A HA 0.420 4.745 4.320 0.009 0.000 0.211 384 A C 1.245 178.827 177.584 -0.004 0.000 1.198 384 A CA 1.991 54.026 52.037 -0.004 0.000 0.657 384 A CB -0.726 18.272 19.000 -0.003 0.000 0.852 384 A HN 1.741 nan 8.150 nan 0.000 0.454 385 T N -2.835 111.717 114.554 -0.004 0.000 2.907 385 T HA 0.425 4.781 4.350 0.009 0.000 0.284 385 T C 0.512 175.210 174.700 -0.005 0.000 1.004 385 T CA -0.164 61.933 62.100 -0.004 0.000 1.063 385 T CB 2.037 70.902 68.868 -0.004 0.000 0.992 385 T HN 0.307 nan 8.240 nan 0.000 0.483 386 E N 0.835 121.032 120.200 -0.005 0.000 2.150 386 E HA -0.089 4.266 4.350 0.009 0.000 0.193 386 E C 1.719 178.316 176.600 -0.006 0.000 0.985 386 E CA 0.666 57.062 56.400 -0.006 0.000 0.814 386 E CB -0.016 29.680 29.700 -0.006 0.000 0.752 386 E HN 0.626 nan 8.360 nan 0.000 0.466 387 V N 0.791 120.702 119.914 -0.006 0.000 3.078 387 V HA -0.142 3.983 4.120 0.009 0.000 0.265 387 V C 1.554 177.644 176.094 -0.006 0.000 1.122 387 V CA 1.460 63.756 62.300 -0.006 0.000 1.141 387 V CB -0.356 31.463 31.823 -0.006 0.000 0.735 387 V HN 0.195 nan 8.190 nan 0.000 0.498 388 E N -1.188 119.009 120.200 -0.005 0.000 2.473 388 E HA 0.147 4.502 4.350 0.009 0.000 0.204 388 E C 1.956 178.554 176.600 -0.005 0.000 0.994 388 E CA -0.260 56.137 56.400 -0.005 0.000 0.945 388 E CB 0.199 29.896 29.700 -0.004 0.000 0.990 388 E HN 0.376 nan 8.360 nan 0.000 0.493 389 M N 1.009 120.606 119.600 -0.005 0.000 2.099 389 M HA -0.126 4.359 4.480 0.009 0.000 0.262 389 M C 1.959 178.256 176.300 -0.005 0.000 1.067 389 M CA 1.467 56.764 55.300 -0.005 0.000 1.124 389 M CB -0.101 32.496 32.600 -0.005 0.000 1.353 389 M HN -0.075 nan 8.290 nan 0.000 0.410 390 K N 0.076 120.473 120.400 -0.006 0.000 1.991 390 K HA -0.192 4.133 4.320 0.009 0.000 0.212 390 K C 1.891 178.488 176.600 -0.005 0.000 1.049 390 K CA 1.331 57.615 56.287 -0.006 0.000 0.932 390 K CB -0.399 32.097 32.500 -0.007 0.000 0.717 390 K HN 0.326 nan 8.250 nan 0.000 0.441 391 E N 0.826 121.022 120.200 -0.005 0.000 2.153 391 E HA -0.166 4.189 4.350 0.009 0.000 0.194 391 E C 1.911 178.509 176.600 -0.004 0.000 0.988 391 E CA 1.128 57.525 56.400 -0.005 0.000 0.811 391 E CB 0.130 29.826 29.700 -0.005 0.000 0.746 391 E HN 0.199 nan 8.360 nan 0.000 0.466 392 K N 0.605 121.003 120.400 -0.003 0.000 2.186 392 K HA -0.064 4.262 4.320 0.009 0.000 0.202 392 K C 2.184 178.783 176.600 -0.001 0.000 1.052 392 K CA 0.593 56.879 56.287 -0.002 0.000 0.965 392 K CB 0.086 32.585 32.500 -0.003 0.000 0.746 392 K HN -0.119 nan 8.250 nan 0.000 0.457 393 K N 0.501 120.901 120.400 -0.001 0.000 2.063 393 K HA -0.150 4.175 4.320 0.009 0.000 0.208 393 K C 1.889 178.490 176.600 0.003 0.000 1.048 393 K CA 1.434 57.721 56.287 0.000 0.000 0.928 393 K CB -0.140 32.359 32.500 -0.001 0.000 0.713 393 K HN 0.156 nan 8.250 nan 0.000 0.442 394 A N 1.318 124.139 122.820 0.001 0.000 1.930 394 A HA -0.110 4.216 4.320 0.009 0.000 0.217 394 A C 2.042 179.628 177.584 0.004 0.000 1.175 394 A CA 1.147 53.185 52.037 0.002 0.000 0.627 394 A CB -0.390 18.608 19.000 -0.003 0.000 0.815 394 A HN 0.319 nan 8.150 nan 0.000 0.443 395 R N -0.689 119.813 120.500 0.003 0.000 2.237 395 R HA -0.016 4.329 4.340 0.009 0.000 0.219 395 R C 1.671 177.976 176.300 0.009 0.000 1.080 395 R CA 1.069 57.171 56.100 0.004 0.000 0.995 395 R CB -0.174 30.126 30.300 0.001 0.000 0.875 395 R HN 0.447 nan 8.270 nan 0.000 0.462 396 V N 0.174 120.094 119.914 0.010 0.000 2.500 396 V HA -0.112 4.013 4.120 0.009 0.000 0.243 396 V C 1.754 177.863 176.094 0.025 0.000 1.039 396 V CA 1.388 63.696 62.300 0.013 0.000 1.053 396 V CB -0.151 31.677 31.823 0.008 0.000 0.695 396 V HN 0.265 nan 8.190 nan 0.000 0.463 397 E N 0.109 120.329 120.200 0.032 0.000 2.150 397 E HA -0.189 4.166 4.350 0.009 0.000 0.193 397 E C 1.217 177.862 176.600 0.076 0.000 0.985 397 E CA 1.116 57.554 56.400 0.063 0.000 0.814 397 E CB -0.088 29.647 29.700 0.060 0.000 0.752 397 E HN 0.480 nan 8.360 nan 0.000 0.466 398 D N -0.760 119.663 120.400 0.039 0.000 2.332 398 D HA 0.041 4.686 4.640 0.009 0.000 0.244 398 D C 0.576 176.896 176.300 0.033 0.000 1.136 398 D CA 0.235 54.251 54.000 0.027 0.000 0.884 398 D CB 0.607 41.410 40.800 0.006 0.000 0.906 398 D HN 0.171 nan 8.370 nan 0.000 0.520 399 A N -0.834 122.012 122.820 0.043 0.000 2.425 399 A HA 0.180 4.505 4.320 0.009 0.000 0.201 399 A C 1.657 179.264 177.584 0.039 0.000 1.431 399 A CA -0.288 51.770 52.037 0.035 0.000 1.066 399 A CB -0.044 18.968 19.000 0.019 0.000 1.318 399 A HN 0.203 nan 8.150 nan 0.000 0.534 400 L N -0.838 120.415 121.223 0.049 0.000 2.049 400 L HA -0.043 4.302 4.340 0.009 0.000 0.203 400 L C 2.434 179.314 176.870 0.016 0.000 1.074 400 L CA 1.186 56.039 54.840 0.021 0.000 0.749 400 L CB -0.371 41.691 42.059 0.005 0.000 0.907 400 L HN 0.507 nan 8.230 nan 0.000 0.439 401 H N -0.637 118.431 119.070 -0.003 0.000 2.390 401 H HA -0.176 4.386 4.556 0.009 0.000 0.298 401 H C 2.068 177.396 175.328 0.000 0.000 1.106 401 H CA 1.524 57.570 56.048 -0.002 0.000 1.297 401 H CB 0.169 29.929 29.762 -0.003 0.000 1.375 401 H HN 0.505 nan 8.280 nan 0.000 0.509 402 A N 0.070 122.960 122.820 0.116 0.000 1.929 402 A HA -0.105 4.220 4.320 0.009 0.000 0.216 402 A C 2.582 180.186 177.584 0.034 0.000 1.176 402 A CA 1.677 53.752 52.037 0.064 0.000 0.628 402 A CB -0.593 18.435 19.000 0.047 0.000 0.816 402 A HN 0.351 nan 8.150 nan 0.000 0.444 403 T N -0.493 114.074 114.554 0.022 0.000 2.821 403 T HA -0.087 4.268 4.350 0.009 0.000 0.267 403 T C 2.110 176.806 174.700 -0.006 0.000 1.046 403 T CA 0.993 63.096 62.100 0.006 0.000 1.139 403 T CB -0.210 68.658 68.868 0.000 0.000 0.871 403 T HN 0.291 nan 8.240 nan 0.000 0.454 404 R N 1.259 121.746 120.500 -0.022 0.000 2.083 404 R HA 0.009 4.354 4.340 0.009 0.000 0.237 404 R C 2.650 178.942 176.300 -0.014 0.000 1.137 404 R CA 1.635 57.712 56.100 -0.039 0.000 0.951 404 R CB -0.911 29.331 30.300 -0.097 0.000 0.851 404 R HN 0.446 nan 8.270 nan 0.000 0.434 405 A N 0.297 123.120 122.820 0.006 0.000 2.014 405 A HA 0.053 4.378 4.320 0.009 0.000 0.218 405 A C 2.196 179.790 177.584 0.017 0.000 1.163 405 A CA 1.319 53.368 52.037 0.020 0.000 0.652 405 A CB -0.264 18.760 19.000 0.039 0.000 0.808 405 A HN 0.356 nan 8.150 nan 0.000 0.449 406 A N -0.659 122.169 122.820 0.014 0.000 2.066 406 A HA 0.149 4.474 4.320 0.009 0.000 0.218 406 A C 2.014 179.603 177.584 0.008 0.000 1.157 406 A CA 1.561 53.605 52.037 0.012 0.000 0.670 406 A CB -0.376 18.630 19.000 0.011 0.000 0.804 406 A HN 0.325 nan 8.150 nan 0.000 0.453 407 V N -0.538 119.379 119.914 0.004 0.000 2.575 407 V HA -0.118 4.007 4.120 0.009 0.000 0.242 407 V C 2.251 178.348 176.094 0.004 0.000 1.045 407 V CA 1.620 63.921 62.300 0.002 0.000 1.065 407 V CB -0.560 31.261 31.823 -0.004 0.000 0.717 407 V HN 0.573 nan 8.190 nan 0.000 0.467 408 E N 0.167 120.370 120.200 0.005 0.000 2.047 408 E HA -0.173 4.182 4.350 0.009 0.000 0.191 408 E C 1.882 178.489 176.600 0.012 0.000 0.987 408 E CA 1.479 57.883 56.400 0.008 0.000 0.799 408 E CB 0.066 29.772 29.700 0.009 0.000 0.752 408 E HN 0.639 nan 8.360 nan 0.000 0.449 409 E N -1.067 119.142 120.200 0.015 0.000 2.474 409 E HA 0.208 4.563 4.350 0.009 0.000 0.215 409 E C 0.528 177.138 176.600 0.016 0.000 0.867 409 E CA 0.282 56.692 56.400 0.017 0.000 1.135 409 E CB 1.753 31.466 29.700 0.021 0.000 1.147 409 E HN 0.199 nan 8.360 nan 0.000 0.534 410 G N 1.212 110.021 108.800 0.015 0.000 2.466 410 G HA2 -0.147 3.819 3.960 0.009 0.000 0.316 410 G HA3 -0.147 3.819 3.960 0.009 0.000 0.316 410 G C -0.809 174.101 174.900 0.017 0.000 1.270 410 G CA -0.521 44.588 45.100 0.015 0.000 0.982 410 G HN 0.397 nan 8.290 nan 0.000 0.506 411 V N -2.042 117.882 119.914 0.016 0.000 2.588 411 V HA 0.894 5.019 4.120 0.009 0.000 0.304 411 V C 0.726 176.831 176.094 0.019 0.000 1.042 411 V CA -0.077 62.233 62.300 0.018 0.000 0.877 411 V CB 0.809 32.641 31.823 0.015 0.000 0.996 411 V HN 2.182 nan 8.190 nan 0.000 0.425 412 V N 1.454 121.380 119.914 0.020 0.000 3.302 412 V HA 0.991 5.116 4.120 0.009 0.000 0.316 412 V C 0.800 176.907 176.094 0.022 0.000 1.111 412 V CA -0.444 61.869 62.300 0.022 0.000 1.029 412 V CB 1.356 33.193 31.823 0.024 0.000 1.170 412 V HN 1.674 nan 8.190 nan 0.000 0.452 413 A N 0.863 123.698 122.820 0.025 0.000 2.454 413 A HA 0.648 4.973 4.320 0.009 0.000 0.260 413 A C 0.839 178.435 177.584 0.020 0.000 1.106 413 A CA 0.386 52.437 52.037 0.024 0.000 0.780 413 A CB -0.546 18.474 19.000 0.033 0.000 1.044 413 A HN 1.706 nan 8.150 nan 0.000 0.498 414 G N 0.920 109.727 108.800 0.013 0.000 2.486 414 G HA2 0.487 4.453 3.960 0.009 0.000 0.272 414 G HA3 0.487 4.453 3.960 0.009 0.000 0.272 414 G C 1.190 176.095 174.900 0.010 0.000 1.426 414 G CA 0.031 45.136 45.100 0.009 0.000 1.058 414 G HN 2.242 nan 8.290 nan 0.000 0.531 415 G N -2.360 106.444 108.800 0.007 0.000 2.155 415 G HA2 0.202 4.167 3.960 0.009 0.000 0.257 415 G HA3 0.202 4.167 3.960 0.009 0.000 0.257 415 G C 1.529 176.446 174.900 0.027 0.000 0.983 415 G CA 1.114 46.223 45.100 0.015 0.000 0.676 415 G HN 2.516 nan 8.290 nan 0.000 0.528 416 G N -2.063 106.751 108.800 0.024 0.000 2.168 416 G HA2 -0.082 3.883 3.960 0.009 0.000 0.257 416 G HA3 -0.082 3.883 3.960 0.009 0.000 0.257 416 G C 1.776 176.695 174.900 0.031 0.000 0.997 416 G CA 1.961 47.077 45.100 0.026 0.000 0.708 416 G HN 2.246 nan 8.290 nan 0.000 0.520 417 V N -2.874 117.060 119.914 0.033 0.000 2.788 417 V HA 0.455 4.580 4.120 0.009 0.000 0.251 417 V C 2.742 178.861 176.094 0.041 0.000 1.068 417 V CA 1.651 63.976 62.300 0.041 0.000 1.090 417 V CB -0.572 31.277 31.823 0.044 0.000 0.710 417 V HN 1.298 nan 8.190 nan 0.000 0.467 418 A N 1.259 124.100 122.820 0.035 0.000 1.883 418 A HA -0.096 4.229 4.320 0.009 0.000 0.217 418 A C 2.204 179.807 177.584 0.032 0.000 1.186 418 A CA 2.415 54.471 52.037 0.033 0.000 0.624 418 A CB -0.722 18.295 19.000 0.029 0.000 0.822 418 A HN 0.595 nan 8.150 nan 0.000 0.444 419 L N -1.106 120.134 121.223 0.030 0.000 2.109 419 L HA -0.024 4.321 4.340 0.009 0.000 0.207 419 L C 2.435 179.322 176.870 0.029 0.000 1.086 419 L CA 1.101 55.957 54.840 0.028 0.000 0.760 419 L CB -0.308 41.767 42.059 0.026 0.000 0.910 419 L HN 0.430 nan 8.230 nan 0.000 0.437 420 I N -0.536 120.053 120.570 0.033 0.000 2.676 420 I HA -0.223 3.952 4.170 0.009 0.000 0.259 420 I C 2.626 178.766 176.117 0.040 0.000 1.194 420 I CA 0.612 61.933 61.300 0.035 0.000 1.473 420 I CB 0.073 38.096 38.000 0.039 0.000 1.096 420 I HN 0.174 nan 8.210 nan 0.000 0.443 421 R N 0.043 120.568 120.500 0.042 0.000 2.093 421 R HA -0.027 4.318 4.340 0.009 0.000 0.224 421 R C 1.978 178.299 176.300 0.034 0.000 1.101 421 R CA 1.338 57.464 56.100 0.044 0.000 0.979 421 R CB -0.669 29.660 30.300 0.048 0.000 0.877 421 R HN 0.185 nan 8.270 nan 0.000 0.441 422 V N 0.843 120.775 119.914 0.029 0.000 2.407 422 V HA -0.195 3.931 4.120 0.009 0.000 0.248 422 V C 2.275 178.382 176.094 0.021 0.000 1.055 422 V CA 1.833 64.148 62.300 0.024 0.000 1.049 422 V CB -0.825 31.011 31.823 0.022 0.000 0.662 422 V HN 0.473 nan 8.190 nan 0.000 0.455 423 A N 0.819 123.653 122.820 0.023 0.000 1.883 423 A HA -0.243 4.082 4.320 0.009 0.000 0.217 423 A C 2.532 180.128 177.584 0.019 0.000 1.186 423 A CA 2.491 54.540 52.037 0.020 0.000 0.624 423 A CB -0.811 18.201 19.000 0.021 0.000 0.822 423 A HN 0.703 nan 8.150 nan 0.000 0.444 424 S N -0.700 115.013 115.700 0.022 0.000 2.453 424 S HA -0.038 4.437 4.470 0.009 0.000 0.231 424 S C 1.575 176.185 174.600 0.017 0.000 1.005 424 S CA 1.293 59.506 58.200 0.020 0.000 0.949 424 S CB -0.215 63.000 63.200 0.025 0.000 0.774 424 S HN 0.590 nan 8.310 nan 0.000 0.510 425 K N 0.353 120.764 120.400 0.018 0.000 2.426 425 K HA 0.351 4.676 4.320 0.009 0.000 0.193 425 K C 0.624 177.232 176.600 0.012 0.000 1.028 425 K CA 0.207 56.503 56.287 0.015 0.000 1.047 425 K CB 0.044 32.554 32.500 0.017 0.000 0.821 425 K HN 0.381 nan 8.250 nan 0.000 0.513 426 L N -0.214 121.016 121.223 0.012 0.000 3.066 426 L HA 0.257 4.602 4.340 0.009 0.000 0.265 426 L C 1.410 178.286 176.870 0.009 0.000 1.232 426 L CA -0.192 54.654 54.840 0.010 0.000 1.031 426 L CB 0.596 42.661 42.059 0.010 0.000 1.379 426 L HN 0.032 nan 8.230 nan 0.000 0.563 427 A N -0.496 122.329 122.820 0.009 0.000 2.067 427 A HA -0.136 4.190 4.320 0.009 0.000 0.219 427 A C 1.532 179.120 177.584 0.007 0.000 1.158 427 A CA 1.311 53.353 52.037 0.008 0.000 0.661 427 A CB -0.131 18.875 19.000 0.009 0.000 0.801 427 A HN 0.289 nan 8.150 nan 0.000 0.452 428 D N -1.023 119.381 120.400 0.006 0.000 2.339 428 D HA 0.128 4.773 4.640 0.009 0.000 0.217 428 D C 0.188 176.490 176.300 0.005 0.000 1.050 428 D CA -0.059 53.944 54.000 0.005 0.000 0.856 428 D CB -0.044 40.759 40.800 0.005 0.000 0.922 428 D HN 0.338 nan 8.370 nan 0.000 0.518 429 L N 1.678 122.904 121.223 0.005 0.000 2.410 429 L HA 0.162 4.507 4.340 0.009 0.000 0.273 429 L C 0.103 176.975 176.870 0.004 0.000 1.152 429 L CA 0.425 55.268 54.840 0.005 0.000 0.855 429 L CB 0.238 42.300 42.059 0.005 0.000 1.129 429 L HN -0.242 nan 8.230 nan 0.000 0.463 430 R N 3.006 123.508 120.500 0.003 0.000 2.867 430 R HA 0.637 4.982 4.340 0.009 0.000 0.268 430 R C -0.059 176.243 176.300 0.003 0.000 1.014 430 R CA -0.276 55.826 56.100 0.003 0.000 0.946 430 R CB 1.498 31.800 30.300 0.003 0.000 1.208 430 R HN 0.810 nan 8.270 nan 0.000 0.477 431 G N -0.117 108.685 108.800 0.003 0.000 3.075 431 G HA2 0.142 4.107 3.960 0.009 0.000 0.156 431 G HA3 0.142 4.107 3.960 0.009 0.000 0.156 431 G C 0.202 175.104 174.900 0.002 0.000 1.403 431 G CA 0.048 45.149 45.100 0.002 0.000 1.033 431 G HN 0.440 nan 8.290 nan 0.000 0.589 432 Q N -0.681 119.120 119.800 0.002 0.000 2.442 432 Q HA 0.166 4.511 4.340 0.009 0.000 0.228 432 Q C 0.018 176.019 176.000 0.002 0.000 0.902 432 Q CA 0.280 56.084 55.803 0.002 0.000 0.933 432 Q CB 0.459 29.198 28.738 0.001 0.000 1.071 432 Q HN 0.625 nan 8.270 nan 0.000 0.562 433 N N -1.282 117.420 118.700 0.002 0.000 2.761 433 N HA 0.067 4.812 4.740 0.009 0.000 0.283 433 N C 0.136 175.647 175.510 0.002 0.000 1.377 433 N CA -0.483 52.568 53.050 0.002 0.000 0.791 433 N CB 0.495 38.983 38.487 0.002 0.000 1.540 433 N HN -0.262 nan 8.380 nan 0.000 0.539 434 E N -0.346 119.856 120.200 0.002 0.000 2.118 434 E HA -0.183 4.172 4.350 0.009 0.000 0.195 434 E C 0.417 177.018 176.600 0.003 0.000 0.992 434 E CA 1.709 58.111 56.400 0.002 0.000 0.804 434 E CB -0.326 29.376 29.700 0.002 0.000 0.741 434 E HN 0.590 nan 8.360 nan 0.000 0.458 435 D N -0.082 120.320 120.400 0.003 0.000 2.144 435 D HA -0.142 4.504 4.640 0.009 0.000 0.199 435 D C 1.862 178.165 176.300 0.004 0.000 0.984 435 D CA 0.890 54.892 54.000 0.004 0.000 0.834 435 D CB -0.196 40.606 40.800 0.004 0.000 0.955 435 D HN 0.389 nan 8.370 nan 0.000 0.465 436 Q N 0.088 119.890 119.800 0.004 0.000 2.123 436 Q HA -0.064 4.281 4.340 0.009 0.000 0.199 436 Q C 1.784 177.786 176.000 0.004 0.000 0.966 436 Q CA 0.547 56.352 55.803 0.003 0.000 0.845 436 Q CB 0.037 28.776 28.738 0.003 0.000 0.907 436 Q HN 0.234 nan 8.270 nan 0.000 0.439 437 N N 0.153 118.855 118.700 0.004 0.000 2.149 437 N HA -0.129 4.616 4.740 0.009 0.000 0.188 437 N C 1.811 177.324 175.510 0.004 0.000 1.019 437 N CA 1.076 54.128 53.050 0.004 0.000 0.857 437 N CB -0.164 38.325 38.487 0.003 0.000 0.997 437 N HN 0.064 nan 8.380 nan 0.000 0.426 438 V N 0.558 120.475 119.914 0.004 0.000 2.453 438 V HA -0.063 4.062 4.120 0.009 0.000 0.247 438 V C 2.439 178.536 176.094 0.006 0.000 1.048 438 V CA 1.711 64.014 62.300 0.005 0.000 1.049 438 V CB -1.135 30.691 31.823 0.005 0.000 0.672 438 V HN 0.300 nan 8.190 nan 0.000 0.457 439 G N 0.355 109.158 108.800 0.005 0.000 2.442 439 G HA2 -0.239 3.726 3.960 0.009 0.000 0.219 439 G HA3 -0.239 3.726 3.960 0.009 0.000 0.219 439 G C 1.548 176.451 174.900 0.006 0.000 1.141 439 G CA 1.169 46.273 45.100 0.006 0.000 0.763 439 G HN 0.512 nan 8.290 nan 0.000 0.554 440 I N 0.193 120.766 120.570 0.006 0.000 2.233 440 I HA -0.083 4.092 4.170 0.009 0.000 0.243 440 I C 2.588 178.709 176.117 0.007 0.000 1.093 440 I CA 0.917 62.221 61.300 0.006 0.000 1.380 440 I CB -0.092 37.911 38.000 0.005 0.000 1.067 440 I HN -0.058 nan 8.210 nan 0.000 0.413 441 K N 0.615 121.019 120.400 0.007 0.000 2.209 441 K HA -0.059 4.266 4.320 0.009 0.000 0.204 441 K C 2.126 178.730 176.600 0.008 0.000 1.048 441 K CA 0.932 57.223 56.287 0.007 0.000 0.940 441 K CB -0.507 31.997 32.500 0.006 0.000 0.729 441 K HN 0.226 nan 8.250 nan 0.000 0.451 442 V N 1.396 121.315 119.914 0.008 0.000 2.307 442 V HA -0.211 3.915 4.120 0.009 0.000 0.245 442 V C 2.426 178.526 176.094 0.010 0.000 1.045 442 V CA 1.939 64.244 62.300 0.009 0.000 1.024 442 V CB -0.648 31.180 31.823 0.009 0.000 0.651 442 V HN 0.279 nan 8.190 nan 0.000 0.449 443 A N -0.448 122.378 122.820 0.010 0.000 1.930 443 A HA -0.099 4.226 4.320 0.009 0.000 0.217 443 A C 2.168 179.759 177.584 0.012 0.000 1.175 443 A CA 1.518 53.561 52.037 0.011 0.000 0.627 443 A CB -0.447 18.558 19.000 0.009 0.000 0.815 443 A HN 0.512 nan 8.150 nan 0.000 0.443 444 L N -1.367 119.863 121.223 0.011 0.000 2.156 444 L HA -0.072 4.273 4.340 0.009 0.000 0.208 444 L C 2.675 179.553 176.870 0.013 0.000 1.095 444 L CA 0.970 55.817 54.840 0.012 0.000 0.770 444 L CB -0.366 41.700 42.059 0.011 0.000 0.914 444 L HN 0.302 nan 8.230 nan 0.000 0.439 445 R N -0.221 120.286 120.500 0.012 0.000 2.236 445 R HA 0.036 4.381 4.340 0.009 0.000 0.208 445 R C 2.205 178.512 176.300 0.012 0.000 1.036 445 R CA 0.775 56.881 56.100 0.011 0.000 1.001 445 R CB -0.081 30.225 30.300 0.009 0.000 0.896 445 R HN 0.298 nan 8.270 nan 0.000 0.464 446 A N 0.481 123.309 122.820 0.013 0.000 2.021 446 A HA -0.045 4.280 4.320 0.009 0.000 0.216 446 A C 1.935 179.529 177.584 0.016 0.000 1.163 446 A CA 0.661 52.706 52.037 0.014 0.000 0.676 446 A CB -0.118 18.891 19.000 0.015 0.000 0.818 446 A HN 0.150 nan 8.150 nan 0.000 0.453 447 M N -0.482 119.128 119.600 0.017 0.000 2.394 447 M HA -0.074 4.411 4.480 0.009 0.000 0.264 447 M C 1.607 177.918 176.300 0.019 0.000 1.073 447 M CA 0.979 56.291 55.300 0.019 0.000 1.111 447 M CB -0.169 32.443 32.600 0.020 0.000 1.401 447 M HN 0.433 nan 8.290 nan 0.000 0.448 448 E N 0.384 120.594 120.200 0.017 0.000 2.216 448 E HA -0.071 4.284 4.350 0.009 0.000 0.192 448 E C 2.144 178.751 176.600 0.012 0.000 0.988 448 E CA 0.836 57.246 56.400 0.015 0.000 0.834 448 E CB -0.045 29.663 29.700 0.013 0.000 0.772 448 E HN 0.518 nan 8.360 nan 0.000 0.479 449 A N 2.175 125.002 122.820 0.011 0.000 1.902 449 A HA -0.117 4.208 4.320 0.009 0.000 0.217 449 A C -0.333 177.256 177.584 0.009 0.000 1.181 449 A CA 1.128 53.170 52.037 0.009 0.000 0.623 449 A CB -1.379 17.627 19.000 0.010 0.000 0.818 449 A HN 0.129 nan 8.150 nan 0.000 0.443 450 P HA -0.187 nan 4.420 nan 0.000 0.214 450 P C 1.813 179.121 177.300 0.013 0.000 1.163 450 P CA 1.070 64.178 63.100 0.014 0.000 0.889 450 P CB -0.143 31.568 31.700 0.018 0.000 0.790 451 L N -0.701 120.531 121.223 0.015 0.000 1.989 451 L HA -0.203 4.142 4.340 0.009 0.000 0.211 451 L C 2.517 179.386 176.870 -0.002 0.000 1.071 451 L CA 1.813 56.662 54.840 0.015 0.000 0.749 451 L CB -0.372 41.699 42.059 0.020 0.000 0.890 451 L HN -0.198 nan 8.230 nan 0.000 0.431 452 R N -0.863 119.632 120.500 -0.007 0.000 2.127 452 R HA -0.244 4.101 4.340 0.009 0.000 0.238 452 R C 2.301 178.590 176.300 -0.017 0.000 1.134 452 R CA 1.721 57.809 56.100 -0.019 0.000 0.975 452 R CB -0.291 30.002 30.300 -0.012 0.000 0.865 452 R HN 0.412 nan 8.270 nan 0.000 0.447 453 Q N 0.752 120.549 119.800 -0.006 0.000 2.123 453 Q HA -0.017 4.328 4.340 0.009 0.000 0.199 453 Q C 1.782 177.782 176.000 -0.000 0.000 0.966 453 Q CA 1.302 57.103 55.803 -0.003 0.000 0.845 453 Q CB 0.052 28.791 28.738 0.002 0.000 0.907 453 Q HN 0.340 nan 8.270 nan 0.000 0.439 454 I N -0.833 119.740 120.570 0.006 0.000 2.252 454 I HA -0.221 3.954 4.170 0.009 0.000 0.245 454 I C 1.904 178.033 176.117 0.020 0.000 1.102 454 I CA 0.708 62.020 61.300 0.019 0.000 1.385 454 I CB -0.247 37.774 38.000 0.036 0.000 1.064 454 I HN 0.010 nan 8.210 nan 0.000 0.414 455 V N 0.677 120.583 119.914 -0.013 0.000 2.427 455 V HA -0.245 3.880 4.120 0.009 0.000 0.248 455 V C 2.385 178.451 176.094 -0.046 0.000 1.051 455 V CA 1.410 63.669 62.300 -0.069 0.000 1.048 455 V CB -0.496 31.219 31.823 -0.179 0.000 0.666 455 V HN 0.346 nan 8.190 nan 0.000 0.456 456 L N 0.921 122.126 121.223 -0.030 0.000 2.083 456 L HA -0.120 4.225 4.340 0.009 0.000 0.209 456 L C 2.139 179.005 176.870 -0.008 0.000 1.083 456 L CA 1.894 56.722 54.840 -0.020 0.000 0.752 456 L CB -0.763 41.287 42.059 -0.015 0.000 0.899 456 L HN 0.328 nan 8.230 nan 0.000 0.433 457 N N -1.538 117.162 118.700 -0.000 0.000 2.309 457 N HA -0.173 4.572 4.740 0.009 0.000 0.182 457 N C 1.832 177.349 175.510 0.012 0.000 1.018 457 N CA 1.346 54.399 53.050 0.005 0.000 0.876 457 N CB -0.970 37.522 38.487 0.007 0.000 0.972 457 N HN 0.457 nan 8.380 nan 0.000 0.434 458 C N -0.045 119.269 119.300 0.022 0.000 2.522 458 C HA 0.288 4.753 4.460 0.009 0.000 0.271 458 C C 1.821 176.827 174.990 0.026 0.000 1.425 458 C CA 0.820 59.863 59.018 0.041 0.000 1.751 458 C CB -1.597 26.204 27.740 0.102 0.000 1.775 458 C HN 0.637 nan 8.230 nan 0.000 0.557 459 G N 0.378 109.183 108.800 0.007 0.000 2.284 459 G HA2 -0.183 3.782 3.960 0.009 0.000 0.247 459 G HA3 -0.183 3.782 3.960 0.009 0.000 0.247 459 G C 0.027 174.922 174.900 -0.008 0.000 1.012 459 G CA 0.413 45.514 45.100 0.002 0.000 0.618 459 G HN 0.577 nan 8.290 nan 0.000 0.521 460 E N 1.336 121.524 120.200 -0.020 0.000 2.374 460 E HA 0.339 4.694 4.350 0.009 0.000 0.260 460 E C 0.371 176.931 176.600 -0.065 0.000 1.101 460 E CA -0.276 56.095 56.400 -0.048 0.000 0.907 460 E CB 0.483 30.126 29.700 -0.095 0.000 1.014 460 E HN 0.593 nan 8.360 nan 0.000 0.427 461 E N 3.074 123.241 120.200 -0.056 0.000 2.265 461 E HA 0.005 4.360 4.350 0.009 0.000 0.272 461 E C -1.397 175.159 176.600 -0.073 0.000 1.067 461 E CA -1.364 55.007 56.400 -0.048 0.000 0.900 461 E CB 0.683 30.367 29.700 -0.028 0.000 1.017 461 E HN 0.227 nan 8.360 nan 0.000 0.431 462 P HA -0.202 nan 4.420 nan 0.000 0.217 462 P C 1.112 178.380 177.300 -0.053 0.000 1.150 462 P CA 1.186 64.242 63.100 -0.073 0.000 0.832 462 P CB 0.232 31.905 31.700 -0.046 0.000 0.787 463 S N 0.059 115.740 115.700 -0.033 0.000 2.370 463 S HA -0.117 4.358 4.470 0.009 0.000 0.226 463 S C 2.161 176.752 174.600 -0.015 0.000 1.033 463 S CA 1.557 59.745 58.200 -0.018 0.000 1.011 463 S CB -1.885 61.308 63.200 -0.012 0.000 0.852 463 S HN -0.008 nan 8.310 nan 0.000 0.457 464 V N 1.632 121.534 119.914 -0.020 0.000 2.307 464 V HA -0.099 4.026 4.120 0.009 0.000 0.245 464 V C 2.594 178.692 176.094 0.006 0.000 1.045 464 V CA 1.449 63.746 62.300 -0.005 0.000 1.024 464 V CB -0.816 31.006 31.823 -0.002 0.000 0.651 464 V HN 0.420 nan 8.190 nan 0.000 0.449 465 V N 0.360 120.253 119.914 -0.034 0.000 2.307 465 V HA -0.192 3.933 4.120 0.009 0.000 0.245 465 V C 2.733 178.843 176.094 0.028 0.000 1.045 465 V CA 1.904 64.188 62.300 -0.027 0.000 1.024 465 V CB -1.074 30.554 31.823 -0.326 0.000 0.651 465 V HN 0.537 nan 8.190 nan 0.000 0.449 466 A N 0.262 123.077 122.820 -0.008 0.000 1.933 466 A HA -0.284 4.041 4.320 0.009 0.000 0.218 466 A C 2.035 179.641 177.584 0.037 0.000 1.175 466 A CA 2.337 54.385 52.037 0.018 0.000 0.628 466 A CB -0.852 18.149 19.000 0.003 0.000 0.814 466 A HN 0.604 nan 8.150 nan 0.000 0.444 467 N N -0.732 117.984 118.700 0.026 0.000 2.244 467 N HA -0.096 4.649 4.740 0.009 0.000 0.183 467 N C 1.576 177.108 175.510 0.036 0.000 1.016 467 N CA 1.958 55.023 53.050 0.026 0.000 0.866 467 N CB -0.187 38.308 38.487 0.013 0.000 0.980 467 N HN 0.442 nan 8.380 nan 0.000 0.430 468 T N -1.131 113.451 114.554 0.046 0.000 2.896 468 T HA 0.004 4.359 4.350 0.009 0.000 0.263 468 T C 1.924 176.706 174.700 0.137 0.000 1.050 468 T CA 0.718 62.839 62.100 0.034 0.000 1.140 468 T CB -0.198 68.626 68.868 -0.074 0.000 0.877 468 T HN -0.019 nan 8.240 nan 0.000 0.457 469 V N 1.535 121.549 119.914 0.166 0.000 2.427 469 V HA -0.102 4.023 4.120 0.009 0.000 0.248 469 V C 2.448 178.653 176.094 0.185 0.000 1.051 469 V CA 1.397 63.824 62.300 0.213 0.000 1.048 469 V CB -0.454 31.455 31.823 0.143 0.000 0.666 469 V HN 0.435 nan 8.190 nan 0.000 0.456 470 K N 0.219 120.686 120.400 0.111 0.000 2.148 470 K HA -0.067 4.258 4.320 0.009 0.000 0.204 470 K C 2.237 178.874 176.600 0.062 0.000 1.050 470 K CA 1.261 57.594 56.287 0.077 0.000 0.942 470 K CB -0.484 32.045 32.500 0.049 0.000 0.724 470 K HN 0.556 nan 8.250 nan 0.000 0.446 471 G N 1.232 110.064 108.800 0.054 0.000 2.402 471 G HA2 -0.121 3.844 3.960 0.009 0.000 0.216 471 G HA3 -0.121 3.844 3.960 0.009 0.000 0.216 471 G C 0.764 175.656 174.900 -0.013 0.000 1.162 471 G CA 0.667 45.775 45.100 0.014 0.000 0.777 471 G HN 0.372 nan 8.290 nan 0.000 0.539 472 G N -0.601 108.197 108.800 -0.003 0.000 2.572 472 G HA2 0.465 4.431 3.960 0.009 0.000 0.261 472 G HA3 0.465 4.431 3.960 0.009 0.000 0.261 472 G C -1.066 173.845 174.900 0.018 0.000 1.197 472 G CA -0.361 44.669 45.100 -0.118 0.000 0.870 472 G HN 0.142 nan 8.290 nan 0.000 0.548 473 D N -0.935 119.452 120.400 -0.022 0.000 2.419 473 D HA 0.612 5.257 4.640 0.009 0.000 0.234 473 D C 0.817 177.160 176.300 0.073 0.000 1.014 473 D CA 0.952 54.972 54.000 0.035 0.000 0.919 473 D CB 1.910 42.712 40.800 0.003 0.000 1.366 473 D HN 0.876 nan 8.370 nan 0.000 0.490 474 G N 1.467 110.314 108.800 0.078 0.000 2.496 474 G HA2 -0.255 3.710 3.960 0.009 0.000 0.243 474 G HA3 -0.255 3.710 3.960 0.009 0.000 0.243 474 G C 0.085 175.051 174.900 0.109 0.000 1.176 474 G CA -0.379 44.770 45.100 0.081 0.000 0.940 474 G HN 0.588 nan 8.290 nan 0.000 0.573 475 N N 0.493 119.260 118.700 0.112 0.000 2.346 475 N HA 0.171 4.916 4.740 0.009 0.000 0.225 475 N C -0.262 175.335 175.510 0.146 0.000 1.144 475 N CA -0.037 53.075 53.050 0.104 0.000 0.837 475 N CB 0.342 38.871 38.487 0.071 0.000 1.069 475 N HN 0.442 nan 8.380 nan 0.000 0.487 476 Y N 1.194 121.526 120.300 0.053 0.000 2.393 476 Y HA 0.413 4.968 4.550 0.009 0.000 0.338 476 Y C 0.461 176.429 175.900 0.113 0.000 1.029 476 Y CA -0.212 57.934 58.100 0.076 0.000 1.239 476 Y CB 0.423 38.920 38.460 0.062 0.000 1.170 476 Y HN -0.015 nan 8.280 nan 0.000 0.515 477 G N 4.207 112.819 108.800 -0.314 0.000 2.870 477 G HA2 0.257 4.223 3.960 0.009 0.000 0.299 477 G HA3 0.257 4.223 3.960 0.009 0.000 0.299 477 G C -2.410 172.397 174.900 -0.156 0.000 1.324 477 G CA -0.896 44.091 45.100 -0.189 0.000 0.808 477 G HN 0.519 nan 8.290 nan 0.000 0.535 478 Y N 1.258 121.438 120.300 -0.201 0.000 2.335 478 Y HA 0.573 5.128 4.550 0.008 0.000 0.338 478 Y C -0.241 175.514 175.900 -0.242 0.000 0.977 478 Y CA -1.221 56.679 58.100 -0.333 0.000 1.114 478 Y CB 1.630 39.881 38.460 -0.348 0.000 1.182 478 Y HN 0.412 nan 8.280 nan 0.000 0.463 479 N N 4.624 122.840 118.700 -0.805 0.000 2.437 479 N HA 0.225 4.970 4.740 0.009 0.000 0.243 479 N C 0.287 175.282 175.510 -0.858 0.000 1.041 479 N CA 0.505 53.192 53.050 -0.604 0.000 0.940 479 N CB 1.532 39.776 38.487 -0.405 0.000 1.133 479 N HN 0.914 nan 8.380 nan 0.000 0.506 480 A N 3.675 126.233 122.820 -0.437 0.000 2.014 480 A HA 0.045 4.370 4.320 0.009 0.000 0.218 480 A C 1.983 179.476 177.584 -0.152 0.000 1.163 480 A CA 1.411 53.338 52.037 -0.182 0.000 0.652 480 A CB -0.391 18.644 19.000 0.058 0.000 0.808 480 A HN 0.696 nan 8.150 nan 0.000 0.449 481 A N -0.213 122.512 122.820 -0.158 0.000 1.898 481 A HA -0.053 4.272 4.320 0.009 0.000 0.216 481 A C 2.285 179.797 177.584 -0.121 0.000 1.181 481 A CA 2.273 54.245 52.037 -0.108 0.000 0.620 481 A CB -0.910 18.037 19.000 -0.089 0.000 0.819 481 A HN 0.723 nan 8.150 nan 0.000 0.442 482 T N -3.862 110.584 114.554 -0.181 0.000 3.040 482 T HA 0.267 4.622 4.350 0.009 0.000 0.250 482 T C 0.302 174.890 174.700 -0.186 0.000 1.058 482 T CA 0.656 62.663 62.100 -0.156 0.000 0.988 482 T CB -0.179 68.603 68.868 -0.142 0.000 0.993 482 T HN 0.571 nan 8.240 nan 0.000 0.519 483 E N 1.040 121.059 120.200 -0.302 0.000 2.586 483 E HA -0.142 4.213 4.350 0.009 0.000 0.259 483 E C -0.745 175.657 176.600 -0.331 0.000 1.107 483 E CA 0.541 56.762 56.400 -0.298 0.000 0.754 483 E CB -1.004 28.669 29.700 -0.045 0.000 1.335 483 E HN 0.641 nan 8.360 nan 0.000 0.411 484 E N -0.198 119.720 120.200 -0.470 0.000 2.212 484 E HA 0.355 4.710 4.350 0.009 0.000 0.268 484 E C -0.460 175.894 176.600 -0.409 0.000 0.902 484 E CA -0.623 55.608 56.400 -0.281 0.000 0.779 484 E CB 1.057 30.673 29.700 -0.140 0.000 1.172 484 E HN 0.052 nan 8.360 nan 0.000 0.409 485 Y N 0.202 120.450 120.300 -0.086 0.000 2.326 485 Y HA 0.564 5.119 4.550 0.009 0.000 0.324 485 Y C 1.249 177.102 175.900 -0.079 0.000 1.291 485 Y CA 0.611 58.642 58.100 -0.114 0.000 1.348 485 Y CB 1.546 39.998 38.460 -0.012 0.000 1.294 485 Y HN 0.699 nan 8.280 nan 0.000 0.525 486 G N 0.554 109.374 108.800 0.033 0.000 2.356 486 G HA2 -0.075 3.891 3.960 0.009 0.000 0.288 486 G HA3 -0.075 3.891 3.960 0.009 0.000 0.288 486 G C -1.806 173.147 174.900 0.089 0.000 1.302 486 G CA -1.249 43.931 45.100 0.133 0.000 0.887 486 G HN 0.543 nan 8.290 nan 0.000 0.521 487 N N 0.943 119.718 118.700 0.126 0.000 2.452 487 N HA 0.094 4.839 4.740 0.009 0.000 0.266 487 N C 1.749 177.281 175.510 0.035 0.000 1.209 487 N CA -0.312 52.796 53.050 0.096 0.000 0.929 487 N CB 0.717 39.257 38.487 0.088 0.000 1.063 487 N HN 0.398 nan 8.380 nan 0.000 0.472 488 M N 3.662 123.276 119.600 0.023 0.000 2.132 488 M HA -0.120 4.365 4.480 0.009 0.000 0.263 488 M C 1.725 178.027 176.300 0.003 0.000 1.065 488 M CA 0.955 56.254 55.300 -0.003 0.000 1.122 488 M CB -0.630 31.969 32.600 -0.002 0.000 1.365 488 M HN 0.526 nan 8.290 nan 0.000 0.411 489 I N 0.780 121.360 120.570 0.017 0.000 2.226 489 I HA -0.268 3.907 4.170 0.009 0.000 0.245 489 I C 1.813 177.937 176.117 0.011 0.000 1.100 489 I CA 1.490 62.799 61.300 0.015 0.000 1.374 489 I CB -1.641 36.372 38.000 0.021 0.000 1.057 489 I HN 0.246 nan 8.210 nan 0.000 0.413 490 D N 0.354 120.764 120.400 0.016 0.000 2.219 490 D HA -0.116 4.529 4.640 0.009 0.000 0.205 490 D C 2.184 178.486 176.300 0.002 0.000 0.970 490 D CA 0.988 54.995 54.000 0.013 0.000 0.851 490 D CB -0.076 40.737 40.800 0.022 0.000 0.943 490 D HN 0.342 nan 8.370 nan 0.000 0.488 491 M N -0.862 118.735 119.600 -0.005 0.000 2.561 491 M HA 0.136 4.621 4.480 0.009 0.000 0.238 491 M C 1.100 177.386 176.300 -0.023 0.000 1.131 491 M CA 0.384 55.672 55.300 -0.021 0.000 1.046 491 M CB 0.695 33.271 32.600 -0.040 0.000 1.532 491 M HN 0.097 nan 8.290 nan 0.000 0.497 492 G N 1.701 110.493 108.800 -0.013 0.000 2.184 492 G HA2 -0.260 3.705 3.960 0.009 0.000 0.264 492 G HA3 -0.260 3.705 3.960 0.009 0.000 0.264 492 G C 0.128 175.019 174.900 -0.014 0.000 0.975 492 G CA -0.216 44.877 45.100 -0.012 0.000 0.642 492 G HN 0.478 nan 8.290 nan 0.000 0.536 493 I N 1.532 122.090 120.570 -0.020 0.000 2.308 493 I HA 0.497 4.672 4.170 0.009 0.000 0.293 493 I C 0.264 176.377 176.117 -0.008 0.000 1.078 493 I CA -0.549 60.738 61.300 -0.021 0.000 1.292 493 I CB 0.387 38.365 38.000 -0.036 0.000 1.423 493 I HN 0.262 nan 8.210 nan 0.000 0.493 494 L N 4.082 125.303 121.223 -0.002 0.000 2.466 494 L HA 0.713 5.059 4.340 0.009 0.000 0.258 494 L C -1.416 175.459 176.870 0.008 0.000 0.973 494 L CA -0.825 54.019 54.840 0.005 0.000 0.826 494 L CB 1.668 43.731 42.059 0.008 0.000 1.372 494 L HN 0.102 nan 8.230 nan 0.000 0.409 495 D N 1.058 121.465 120.400 0.013 0.000 2.362 495 D HA 0.483 5.129 4.640 0.009 0.000 0.247 495 D C -2.714 173.598 176.300 0.020 0.000 1.050 495 D CA -1.285 52.725 54.000 0.017 0.000 0.839 495 D CB 2.332 43.142 40.800 0.018 0.000 1.283 495 D HN 0.372 nan 8.370 nan 0.000 0.477 496 P HA 0.037 nan 4.420 nan 0.000 0.264 496 P C 0.903 178.220 177.300 0.028 0.000 1.193 496 P CA 0.061 63.177 63.100 0.026 0.000 0.763 496 P CB 0.597 32.316 31.700 0.031 0.000 0.810 497 T N 2.627 117.197 114.554 0.026 0.000 2.699 497 T HA -0.231 4.124 4.350 0.009 0.000 0.268 497 T C 1.625 176.345 174.700 0.033 0.000 1.036 497 T CA 1.377 63.493 62.100 0.027 0.000 1.147 497 T CB -0.317 68.565 68.868 0.023 0.000 0.862 497 T HN 0.493 nan 8.240 nan 0.000 0.446 498 K N 0.523 120.944 120.400 0.035 0.000 2.032 498 K HA -0.113 4.212 4.320 0.009 0.000 0.209 498 K C 2.386 179.019 176.600 0.055 0.000 1.048 498 K CA 1.391 57.705 56.287 0.044 0.000 0.927 498 K CB -0.500 32.026 32.500 0.044 0.000 0.712 498 K HN 0.240 nan 8.250 nan 0.000 0.441 499 V N 0.799 120.743 119.914 0.050 0.000 2.427 499 V HA -0.196 3.929 4.120 0.009 0.000 0.248 499 V C 1.659 177.785 176.094 0.053 0.000 1.051 499 V CA 2.541 64.872 62.300 0.052 0.000 1.048 499 V CB -0.392 31.454 31.823 0.040 0.000 0.666 499 V HN 0.468 nan 8.190 nan 0.000 0.456 500 T N 0.116 114.697 114.554 0.045 0.000 2.857 500 T HA -0.117 4.238 4.350 0.009 0.000 0.266 500 T C 1.959 176.688 174.700 0.049 0.000 1.048 500 T CA 1.585 63.711 62.100 0.042 0.000 1.139 500 T CB -0.313 68.575 68.868 0.034 0.000 0.874 500 T HN 0.518 nan 8.240 nan 0.000 0.455 501 R N 0.994 121.523 120.500 0.048 0.000 2.075 501 R HA -0.056 4.289 4.340 0.009 0.000 0.232 501 R C 2.507 178.847 176.300 0.068 0.000 1.126 501 R CA 1.502 57.629 56.100 0.045 0.000 0.963 501 R CB -0.288 30.034 30.300 0.035 0.000 0.858 501 R HN 0.232 nan 8.270 nan 0.000 0.435 502 S N 0.520 116.285 115.700 0.109 0.000 2.355 502 S HA -0.102 4.373 4.470 0.009 0.000 0.222 502 S C 1.996 176.745 174.600 0.248 0.000 1.031 502 S CA 1.140 59.472 58.200 0.220 0.000 0.993 502 S CB -0.207 63.127 63.200 0.225 0.000 0.859 502 S HN 0.559 nan 8.310 nan 0.000 0.453 503 A N 1.078 123.982 122.820 0.139 0.000 1.940 503 A HA -0.087 4.238 4.320 0.009 0.000 0.219 503 A C 2.130 179.778 177.584 0.106 0.000 1.176 503 A CA 1.463 53.565 52.037 0.109 0.000 0.631 503 A CB -0.611 18.427 19.000 0.062 0.000 0.814 503 A HN 0.422 nan 8.150 nan 0.000 0.446 504 L N -0.708 120.563 121.223 0.080 0.000 2.068 504 L HA -0.080 4.266 4.340 0.009 0.000 0.204 504 L C 2.492 179.389 176.870 0.045 0.000 1.076 504 L CA 2.078 56.950 54.840 0.053 0.000 0.753 504 L CB -0.692 41.387 42.059 0.034 0.000 0.910 504 L HN 0.469 nan 8.230 nan 0.000 0.439 505 Q N -1.574 118.240 119.800 0.024 0.000 2.061 505 Q HA -0.245 4.100 4.340 0.009 0.000 0.204 505 Q C 2.188 178.145 176.000 -0.071 0.000 0.984 505 Q CA 2.340 58.108 55.803 -0.058 0.000 0.846 505 Q CB -0.348 28.304 28.738 -0.145 0.000 0.902 505 Q HN 0.515 nan 8.270 nan 0.000 0.421 506 Y N -0.055 120.250 120.300 0.009 0.000 2.145 506 Y HA -0.209 4.347 4.550 0.009 0.000 0.286 506 Y C 2.372 178.278 175.900 0.009 0.000 1.145 506 Y CA 1.176 59.282 58.100 0.009 0.000 1.148 506 Y CB -0.492 37.973 38.460 0.009 0.000 0.981 506 Y HN 0.153 nan 8.280 nan 0.000 0.507 507 A N -0.209 122.710 122.820 0.166 0.000 1.972 507 A HA -0.136 4.189 4.320 0.009 0.000 0.219 507 A C 2.375 179.995 177.584 0.061 0.000 1.169 507 A CA 1.776 53.871 52.037 0.096 0.000 0.635 507 A CB -1.106 17.937 19.000 0.072 0.000 0.810 507 A HN 0.413 nan 8.150 nan 0.000 0.446 508 A N -1.152 121.693 122.820 0.043 0.000 1.930 508 A HA 0.013 4.338 4.320 0.009 0.000 0.215 508 A C 2.415 180.008 177.584 0.015 0.000 1.176 508 A CA 1.777 53.826 52.037 0.020 0.000 0.632 508 A CB -0.836 18.167 19.000 0.005 0.000 0.819 508 A HN 0.511 nan 8.150 nan 0.000 0.445 509 S N -0.728 114.978 115.700 0.009 0.000 2.359 509 S HA -0.150 4.325 4.470 0.009 0.000 0.224 509 S C 1.968 176.586 174.600 0.029 0.000 1.035 509 S CA 1.793 59.994 58.200 0.002 0.000 1.018 509 S CB -0.485 62.701 63.200 -0.024 0.000 0.876 509 S HN 0.436 nan 8.310 nan 0.000 0.448 510 V N 1.549 121.495 119.914 0.054 0.000 2.379 510 V HA 0.028 4.153 4.120 0.009 0.000 0.245 510 V C 2.594 178.710 176.094 0.037 0.000 1.044 510 V CA 1.898 64.228 62.300 0.051 0.000 1.036 510 V CB -0.991 30.870 31.823 0.063 0.000 0.664 510 V HN 0.576 nan 8.190 nan 0.000 0.453 511 A N 0.055 122.896 122.820 0.034 0.000 1.940 511 A HA -0.076 4.250 4.320 0.009 0.000 0.219 511 A C 2.352 179.949 177.584 0.022 0.000 1.176 511 A CA 1.965 54.018 52.037 0.027 0.000 0.631 511 A CB -1.408 17.607 19.000 0.025 0.000 0.814 511 A HN 0.645 nan 8.150 nan 0.000 0.446 512 G N -0.131 108.680 108.800 0.019 0.000 2.446 512 G HA2 -0.193 3.772 3.960 0.009 0.000 0.217 512 G HA3 -0.193 3.772 3.960 0.009 0.000 0.217 512 G C 1.553 176.463 174.900 0.016 0.000 1.168 512 G CA 1.110 46.218 45.100 0.014 0.000 0.771 512 G HN 0.445 nan 8.290 nan 0.000 0.551 513 L N -0.390 120.844 121.223 0.020 0.000 2.093 513 L HA 0.041 4.386 4.340 0.009 0.000 0.208 513 L C 3.043 179.927 176.870 0.024 0.000 1.085 513 L CA 0.847 55.700 54.840 0.021 0.000 0.755 513 L CB -0.243 41.831 42.059 0.024 0.000 0.904 513 L HN 0.215 nan 8.230 nan 0.000 0.435 514 M N -0.903 118.712 119.600 0.025 0.000 2.349 514 M HA -0.128 4.357 4.480 0.009 0.000 0.266 514 M C 2.179 178.494 176.300 0.024 0.000 1.076 514 M CA 1.501 56.817 55.300 0.026 0.000 1.126 514 M CB -0.041 32.575 32.600 0.027 0.000 1.392 514 M HN 0.209 nan 8.290 nan 0.000 0.440 515 I N -0.138 120.445 120.570 0.021 0.000 2.439 515 I HA -0.195 3.980 4.170 0.009 0.000 0.251 515 I C 1.834 177.963 176.117 0.020 0.000 1.139 515 I CA 1.265 62.576 61.300 0.019 0.000 1.438 515 I CB -0.197 37.813 38.000 0.016 0.000 1.085 515 I HN 0.331 nan 8.210 nan 0.000 0.427 516 T N -2.545 112.021 114.554 0.021 0.000 3.272 516 T HA 0.100 4.455 4.350 0.009 0.000 0.250 516 T C 0.624 175.341 174.700 0.028 0.000 1.082 516 T CA -0.168 61.945 62.100 0.023 0.000 0.968 516 T CB -0.757 68.123 68.868 0.020 0.000 1.015 516 T HN -0.000 nan 8.240 nan 0.000 0.563 517 T N 2.371 116.942 114.554 0.029 0.000 2.780 517 T HA 0.293 4.649 4.350 0.009 0.000 0.294 517 T C 0.617 175.341 174.700 0.041 0.000 0.949 517 T CA -0.543 61.578 62.100 0.034 0.000 1.074 517 T CB 1.589 70.477 68.868 0.033 0.000 0.910 517 T HN 0.126 nan 8.240 nan 0.000 0.501 518 E N 0.450 120.683 120.200 0.054 0.000 2.441 518 E HA 0.157 4.512 4.350 0.009 0.000 0.212 518 E C 0.075 176.734 176.600 0.099 0.000 0.840 518 E CA 0.144 56.593 56.400 0.082 0.000 1.143 518 E CB 0.895 30.655 29.700 0.099 0.000 1.153 518 E HN 0.578 nan 8.360 nan 0.000 0.539 519 C N 1.059 120.392 119.300 0.054 0.000 2.609 519 C HA 0.698 5.164 4.460 0.009 0.000 0.313 519 C C -1.032 173.928 174.990 -0.051 0.000 1.175 519 C CA -0.524 58.467 59.018 -0.045 0.000 1.434 519 C CB 0.200 27.946 27.740 0.009 0.000 2.005 519 C HN 0.152 nan 8.230 nan 0.000 0.471 520 M N 5.394 124.946 119.600 -0.079 0.000 2.326 520 M HA 0.557 5.042 4.480 0.009 0.000 0.306 520 M C -1.095 175.264 176.300 0.099 0.000 1.054 520 M CA -0.504 54.841 55.300 0.075 0.000 0.922 520 M CB 2.092 34.850 32.600 0.263 0.000 1.632 520 M HN 0.385 nan 8.290 nan 0.000 0.436 521 V N 1.805 121.729 119.914 0.017 0.000 2.407 521 V HA 0.662 4.787 4.120 0.009 0.000 0.291 521 V C -0.289 175.732 176.094 -0.122 0.000 1.018 521 V CA -0.400 61.880 62.300 -0.033 0.000 0.842 521 V CB 1.787 33.589 31.823 -0.036 0.000 0.996 521 V HN 0.932 nan 8.190 nan 0.000 0.426 522 T N 2.167 116.586 114.554 -0.224 0.000 2.865 522 T HA 0.448 4.804 4.350 0.009 0.000 0.294 522 T C -1.088 173.483 174.700 -0.215 0.000 1.119 522 T CA -0.547 61.370 62.100 -0.304 0.000 1.007 522 T CB 1.872 70.379 68.868 -0.603 0.000 1.225 522 T HN 0.620 nan 8.240 nan 0.000 0.515 523 D N 1.406 121.700 120.400 -0.177 0.000 2.382 523 D HA 0.296 4.941 4.640 0.009 0.000 0.240 523 D C -0.120 176.115 176.300 -0.108 0.000 1.146 523 D CA -0.030 53.902 54.000 -0.112 0.000 0.897 523 D CB 0.460 41.209 40.800 -0.086 0.000 1.197 523 D HN 0.334 nan 8.370 nan 0.000 0.432 524 L N 3.486 124.675 121.223 -0.056 0.000 2.331 524 L HA 0.297 4.642 4.340 0.009 0.000 0.278 524 L C -1.617 175.238 176.870 -0.025 0.000 1.106 524 L CA -0.967 53.856 54.840 -0.028 0.000 0.824 524 L CB 0.231 42.287 42.059 -0.006 0.000 1.142 524 L HN 0.374 nan 8.230 nan 0.000 0.443 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.096 63.100 -0.007 0.000 0.800 525 P CB 0.000 31.706 31.700 0.009 0.000 0.726