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 1mnf_1_G DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK 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 0.000 177.581 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 0.792 123.610 122.820 -0.002 0.000 2.498 3 A HA 0.532 4.852 4.320 0.000 0.000 0.239 3 A C 0.172 177.756 177.584 -0.000 0.000 1.068 3 A CA 0.366 52.405 52.037 0.004 0.000 0.766 3 A CB -0.113 18.892 19.000 0.009 0.000 1.003 3 A HN 0.596 nan 8.150 nan 0.000 0.497 4 K N 1.164 121.568 120.400 0.007 0.000 2.238 4 K HA 0.444 4.764 4.320 0.000 0.000 0.239 4 K C -1.198 175.421 176.600 0.032 0.000 0.987 4 K CA -0.694 55.594 56.287 0.003 0.000 0.857 4 K CB 1.523 34.022 32.500 -0.001 0.000 1.154 4 K HN 0.722 nan 8.250 nan 0.000 0.439 5 D N 1.012 121.443 120.400 0.052 0.000 2.344 5 D HA 0.295 4.935 4.640 0.000 0.000 0.239 5 D C -1.271 175.163 176.300 0.223 0.000 1.064 5 D CA -0.589 53.499 54.000 0.147 0.000 0.829 5 D CB 1.142 42.067 40.800 0.207 0.000 1.129 5 D HN 0.054 nan 8.370 nan 0.000 0.506 6 V N 4.957 124.942 119.914 0.118 0.000 2.384 6 V HA 0.404 4.524 4.120 0.000 0.000 0.287 6 V C 0.363 176.340 176.094 -0.195 0.000 1.020 6 V CA -0.740 61.541 62.300 -0.032 0.000 0.850 6 V CB 1.480 33.236 31.823 -0.112 0.000 0.987 6 V HN 0.380 nan 8.190 nan 0.000 0.436 7 K N 3.708 123.896 120.400 -0.353 0.000 2.208 7 K HA 0.733 5.054 4.320 0.000 0.000 0.247 7 K C -1.408 174.855 176.600 -0.562 0.000 0.953 7 K CA -0.496 55.511 56.287 -0.467 0.000 0.837 7 K CB 2.289 34.305 32.500 -0.806 0.000 1.131 7 K HN 0.419 nan 8.250 nan 0.000 0.431 8 F N -0.686 119.200 119.950 -0.107 0.000 2.618 8 F HA 0.322 4.849 4.527 0.000 0.000 0.332 8 F C 1.465 177.228 175.800 -0.062 0.000 1.061 8 F CA 0.032 57.996 58.000 -0.059 0.000 0.974 8 F CB 1.147 40.124 39.000 -0.038 0.000 1.310 8 F HN 0.816 nan 8.300 nan 0.000 0.491 9 G N 1.389 110.314 108.800 0.209 0.000 2.738 9 G HA2 -0.489 3.472 3.960 0.000 0.000 0.391 9 G HA3 -0.489 3.472 3.960 0.000 0.000 0.391 9 G C 1.465 176.388 174.900 0.037 0.000 1.049 9 G CA 1.305 46.462 45.100 0.096 0.000 0.855 9 G HN 0.773 nan 8.290 nan 0.000 0.757 10 N N 0.864 119.578 118.700 0.024 0.000 2.104 10 N HA -0.142 4.598 4.740 0.000 0.000 0.190 10 N C 1.784 177.281 175.510 -0.021 0.000 1.024 10 N CA 2.162 55.214 53.050 0.002 0.000 0.853 10 N CB -0.380 38.107 38.487 0.000 0.000 1.008 10 N HN 0.520 nan 8.380 nan 0.000 0.424 11 D N 0.770 121.151 120.400 -0.033 0.000 2.104 11 D HA -0.107 4.533 4.640 0.000 0.000 0.194 11 D C 1.871 178.088 176.300 -0.138 0.000 0.994 11 D CA 1.291 55.240 54.000 -0.086 0.000 0.830 11 D CB -0.515 40.221 40.800 -0.107 0.000 0.959 11 D HN 0.398 nan 8.370 nan 0.000 0.452 12 A N 1.124 123.861 122.820 -0.139 0.000 1.908 12 A HA -0.209 4.111 4.320 0.000 0.000 0.218 12 A C 2.211 179.760 177.584 -0.059 0.000 1.181 12 A CA 1.399 53.346 52.037 -0.150 0.000 0.627 12 A CB -0.442 18.493 19.000 -0.107 0.000 0.818 12 A HN 0.126 nan 8.150 nan 0.000 0.445 13 R N -0.457 120.025 120.500 -0.030 0.000 2.070 13 R HA -0.128 4.212 4.340 0.000 0.000 0.233 13 R C 2.256 178.551 176.300 -0.007 0.000 1.137 13 R CA 1.794 57.890 56.100 -0.007 0.000 0.945 13 R CB -0.869 29.431 30.300 0.000 0.000 0.845 13 R HN 0.610 nan 8.270 nan 0.000 0.430 14 V N 0.057 119.961 119.914 -0.018 0.000 2.392 14 V HA -0.219 3.901 4.120 0.000 0.000 0.249 14 V C 1.976 178.067 176.094 -0.004 0.000 1.059 14 V CA 1.548 63.842 62.300 -0.011 0.000 1.051 14 V CB -0.428 31.384 31.823 -0.017 0.000 0.658 14 V HN 0.111 nan 8.190 nan 0.000 0.455 15 K N 0.174 120.566 120.400 -0.013 0.000 2.009 15 K HA -0.067 4.253 4.320 0.000 0.000 0.210 15 K C 2.291 178.920 176.600 0.048 0.000 1.049 15 K CA 2.285 58.586 56.287 0.024 0.000 0.929 15 K CB -0.647 31.871 32.500 0.031 0.000 0.714 15 K HN 0.552 nan 8.250 nan 0.000 0.440 16 M N 0.416 120.043 119.600 0.045 0.000 2.080 16 M HA -0.213 4.267 4.480 0.000 0.000 0.260 16 M C 2.313 178.630 176.300 0.028 0.000 1.068 16 M CA 1.261 56.587 55.300 0.044 0.000 1.109 16 M CB -0.509 32.114 32.600 0.037 0.000 1.342 16 M HN 0.051 nan 8.290 nan 0.000 0.405 17 L N 0.698 121.932 121.223 0.020 0.000 1.990 17 L HA -0.242 4.098 4.340 0.000 0.000 0.213 17 L C 2.454 179.333 176.870 0.015 0.000 1.072 17 L CA 2.007 56.855 54.840 0.014 0.000 0.755 17 L CB -0.572 41.492 42.059 0.009 0.000 0.889 17 L HN 0.169 nan 8.230 nan 0.000 0.432 18 R N -0.643 119.867 120.500 0.016 0.000 2.105 18 R HA -0.138 4.202 4.340 0.000 0.000 0.239 18 R C 2.214 178.525 176.300 0.018 0.000 1.135 18 R CA 1.222 57.331 56.100 0.016 0.000 0.967 18 R CB -1.044 29.267 30.300 0.018 0.000 0.861 18 R HN 0.631 nan 8.270 nan 0.000 0.442 19 G N 0.717 109.532 108.800 0.024 0.000 2.433 19 G HA2 -0.248 3.712 3.960 0.000 0.000 0.216 19 G HA3 -0.248 3.712 3.960 0.000 0.000 0.216 19 G C 1.475 176.383 174.900 0.013 0.000 1.186 19 G CA 1.069 46.182 45.100 0.021 0.000 0.779 19 G HN 0.336 nan 8.290 nan 0.000 0.543 20 V N -0.306 119.616 119.914 0.014 0.000 2.759 20 V HA -0.066 4.055 4.120 0.000 0.000 0.256 20 V C 2.148 178.247 176.094 0.007 0.000 1.080 20 V CA 2.070 64.375 62.300 0.009 0.000 1.101 20 V CB -0.500 31.330 31.823 0.011 0.000 0.698 20 V HN 0.196 nan 8.190 nan 0.000 0.477 21 N N 0.960 119.665 118.700 0.008 0.000 2.142 21 N HA -0.074 4.666 4.740 0.000 0.000 0.186 21 N C 1.824 177.336 175.510 0.004 0.000 1.023 21 N CA 1.765 54.818 53.050 0.006 0.000 0.852 21 N CB -0.386 38.105 38.487 0.006 0.000 0.998 21 N HN 0.504 nan 8.380 nan 0.000 0.424 22 V N 1.671 121.588 119.914 0.004 0.000 2.295 22 V HA -0.189 3.931 4.120 0.000 0.000 0.246 22 V C 2.399 178.492 176.094 -0.001 0.000 1.049 22 V CA 1.092 63.392 62.300 0.001 0.000 1.024 22 V CB -0.576 31.248 31.823 0.002 0.000 0.648 22 V HN 0.187 nan 8.190 nan 0.000 0.447 23 L N 1.067 122.289 121.223 -0.001 0.000 1.943 23 L HA -0.125 4.215 4.340 0.000 0.000 0.215 23 L C 2.500 179.368 176.870 -0.003 0.000 1.074 23 L CA 2.674 57.512 54.840 -0.004 0.000 0.759 23 L CB -1.239 40.818 42.059 -0.004 0.000 0.888 23 L HN 0.213 nan 8.230 nan 0.000 0.433 24 A N -0.724 122.096 122.820 -0.001 0.000 1.892 24 A HA -0.276 4.044 4.320 0.000 0.000 0.218 24 A C 2.011 179.595 177.584 -0.001 0.000 1.188 24 A CA 2.133 54.170 52.037 -0.000 0.000 0.631 24 A CB -1.159 17.843 19.000 0.003 0.000 0.822 24 A HN 0.637 nan 8.150 nan 0.000 0.447 25 D N -0.124 120.276 120.400 -0.000 0.000 2.149 25 D HA -0.062 4.578 4.640 0.000 0.000 0.198 25 D C 2.167 178.465 176.300 -0.002 0.000 0.990 25 D CA 1.522 55.521 54.000 -0.001 0.000 0.839 25 D CB -0.385 40.415 40.800 -0.000 0.000 0.948 25 D HN 0.465 nan 8.370 nan 0.000 0.460 26 A N 0.234 123.052 122.820 -0.004 0.000 1.897 26 A HA -0.076 4.244 4.320 0.000 0.000 0.215 26 A C 2.488 180.069 177.584 -0.006 0.000 1.181 26 A CA 0.935 52.968 52.037 -0.005 0.000 0.620 26 A CB -0.559 18.437 19.000 -0.007 0.000 0.821 26 A HN 0.144 nan 8.150 nan 0.000 0.443 27 V N 1.299 121.210 119.914 -0.006 0.000 2.407 27 V HA -0.221 3.900 4.120 0.000 0.000 0.245 27 V C 2.506 178.597 176.094 -0.005 0.000 1.041 27 V CA 2.148 64.444 62.300 -0.007 0.000 1.040 27 V CB -0.637 31.182 31.823 -0.008 0.000 0.671 27 V HN 0.842 nan 8.190 nan 0.000 0.455 28 K N 1.438 121.836 120.400 -0.003 0.000 2.442 28 K HA -0.108 4.212 4.320 0.000 0.000 0.198 28 K C 1.748 178.347 176.600 -0.001 0.000 1.044 28 K CA 1.698 57.985 56.287 -0.001 0.000 0.948 28 K CB -0.640 31.860 32.500 0.000 0.000 0.762 28 K HN 0.496 nan 8.250 nan 0.000 0.472 29 V N -0.218 119.695 119.914 -0.002 0.000 2.913 29 V HA -0.141 3.979 4.120 0.000 0.000 0.260 29 V C 2.164 178.257 176.094 -0.002 0.000 1.098 29 V CA 1.700 63.999 62.300 -0.002 0.000 1.121 29 V CB -1.031 30.791 31.823 -0.002 0.000 0.714 29 V HN 0.552 nan 8.190 nan 0.000 0.487 30 T N -2.377 112.175 114.554 -0.003 0.000 3.057 30 T HA 0.221 4.571 4.350 0.000 0.000 0.254 30 T C 0.665 175.364 174.700 -0.002 0.000 1.094 30 T CA -0.082 62.016 62.100 -0.003 0.000 1.088 30 T CB -0.271 68.594 68.868 -0.005 0.000 0.934 30 T HN 0.346 nan 8.240 nan 0.000 0.497 31 L N 2.735 123.958 121.223 -0.001 0.000 2.525 31 L HA 0.463 4.803 4.340 0.000 0.000 0.278 31 L C 0.943 177.814 176.870 0.002 0.000 1.218 31 L CA 1.749 56.589 54.840 0.000 0.000 0.878 31 L CB -0.698 41.362 42.059 0.002 0.000 1.127 31 L HN 0.766 nan 8.230 nan 0.000 0.492 32 G N 4.236 113.036 108.800 0.000 0.000 2.746 32 G HA2 -0.145 3.815 3.960 0.000 0.000 0.685 32 G HA3 -0.145 3.815 3.960 0.000 0.000 0.685 32 G C -1.934 172.962 174.900 -0.006 0.000 1.350 32 G CA -0.297 44.802 45.100 -0.000 0.000 0.837 32 G HN 0.608 nan 8.290 nan 0.000 0.564 33 P HA 0.034 nan 4.420 nan 0.000 0.226 33 P C 0.810 178.103 177.300 -0.013 0.000 1.153 33 P CA 1.054 64.143 63.100 -0.018 0.000 0.777 33 P CB 0.171 31.851 31.700 -0.034 0.000 0.794 34 K N 0.322 120.719 120.400 -0.005 0.000 2.498 34 K HA 0.260 4.580 4.320 0.000 0.000 0.207 34 K C 1.058 177.658 176.600 0.001 0.000 1.033 34 K CA -0.246 56.040 56.287 -0.001 0.000 1.138 34 K CB 0.247 32.751 32.500 0.007 0.000 0.860 34 K HN 0.045 nan 8.250 nan 0.000 0.490 35 G N 1.640 110.439 108.800 -0.001 0.000 2.484 35 G HA2 0.023 3.983 3.960 0.000 0.000 0.235 35 G HA3 0.023 3.983 3.960 0.000 0.000 0.235 35 G C 0.153 175.052 174.900 -0.001 0.000 1.282 35 G CA -0.304 44.796 45.100 -0.001 0.000 0.857 35 G HN 0.072 nan 8.290 nan 0.000 0.571 36 R N 0.821 121.321 120.500 -0.001 0.000 2.553 36 R HA 0.227 4.567 4.340 0.000 0.000 0.263 36 R C 0.056 176.355 176.300 -0.003 0.000 1.066 36 R CA -0.796 55.303 56.100 -0.002 0.000 1.135 36 R CB 0.485 30.785 30.300 -0.001 0.000 1.148 36 R HN 0.648 nan 8.270 nan 0.000 0.558 37 N N -0.858 117.840 118.700 -0.003 0.000 2.524 37 N HA 0.294 5.034 4.740 0.000 0.000 0.283 37 N C -0.926 174.582 175.510 -0.004 0.000 1.142 37 N CA -0.379 52.669 53.050 -0.004 0.000 0.984 37 N CB 1.296 39.781 38.487 -0.003 0.000 1.155 37 N HN 0.078 nan 8.380 nan 0.000 0.467 38 V N 2.071 121.981 119.914 -0.005 0.000 2.540 38 V HA 0.337 4.457 4.120 0.000 0.000 0.302 38 V C -0.460 175.630 176.094 -0.007 0.000 1.035 38 V CA -0.770 61.526 62.300 -0.007 0.000 0.873 38 V CB 1.862 33.681 31.823 -0.008 0.000 0.992 38 V HN 0.328 nan 8.190 nan 0.000 0.428 39 V N 6.533 126.442 119.914 -0.008 0.000 2.350 39 V HA 0.444 4.564 4.120 0.000 0.000 0.276 39 V C -0.170 175.917 176.094 -0.012 0.000 1.028 39 V CA -0.400 61.894 62.300 -0.009 0.000 0.860 39 V CB 1.214 33.032 31.823 -0.008 0.000 0.990 39 V HN 0.595 nan 8.190 nan 0.000 0.453 40 L N 3.871 125.087 121.223 -0.012 0.000 2.287 40 L HA 0.520 4.860 4.340 0.000 0.000 0.287 40 L C 0.045 176.903 176.870 -0.019 0.000 1.022 40 L CA -0.518 54.312 54.840 -0.016 0.000 0.814 40 L CB 1.554 43.604 42.059 -0.015 0.000 1.217 40 L HN 0.526 nan 8.230 nan 0.000 0.420 41 D N 3.104 123.489 120.400 -0.026 0.000 2.360 41 D HA 0.273 4.913 4.640 0.000 0.000 0.242 41 D C -0.527 175.748 176.300 -0.040 0.000 1.184 41 D CA 0.222 54.202 54.000 -0.034 0.000 0.930 41 D CB 0.944 41.719 40.800 -0.042 0.000 1.161 41 D HN 0.345 nan 8.370 nan 0.000 0.447 42 K N -0.173 120.197 120.400 -0.050 0.000 2.435 42 K HA 0.234 4.554 4.320 0.000 0.000 0.251 42 K C 0.958 177.482 176.600 -0.125 0.000 0.954 42 K CA -0.583 55.669 56.287 -0.057 0.000 0.820 42 K CB 1.817 34.307 32.500 -0.017 0.000 1.292 42 K HN 0.415 nan 8.250 nan 0.000 0.436 43 S N 0.862 116.450 115.700 -0.187 0.000 2.382 43 S HA -0.040 4.430 4.470 0.000 0.000 0.228 43 S C 0.343 174.497 174.600 -0.743 0.000 1.027 43 S CA 0.857 58.777 58.200 -0.467 0.000 0.991 43 S CB -0.214 62.698 63.200 -0.479 0.000 0.823 43 S HN 0.402 nan 8.310 nan 0.000 0.469 44 F N 1.163 121.111 119.950 -0.003 0.000 2.562 44 F HA 0.696 5.223 4.527 0.000 0.000 0.319 44 F C 0.786 176.584 175.800 -0.003 0.000 1.154 44 F CA -0.010 57.988 58.000 -0.003 0.000 0.931 44 F CB 1.769 40.768 39.000 -0.002 0.000 1.198 44 F HN 0.465 nan 8.300 nan 0.000 0.444 45 G N 1.333 110.234 108.800 0.170 0.000 2.297 45 G HA2 0.440 4.400 3.960 0.000 0.000 0.209 45 G HA3 0.440 4.400 3.960 0.000 0.000 0.209 45 G C -1.646 173.284 174.900 0.051 0.000 1.267 45 G CA -0.405 44.753 45.100 0.096 0.000 1.127 45 G HN 1.053 nan 8.290 nan 0.000 0.498 46 A N 0.628 123.469 122.820 0.034 0.000 2.312 46 A HA 0.884 5.204 4.320 0.000 0.000 0.326 46 A C -1.900 175.690 177.584 0.010 0.000 1.172 46 A CA -0.882 51.167 52.037 0.019 0.000 0.821 46 A CB 0.432 19.442 19.000 0.016 0.000 1.166 46 A HN 0.644 nan 8.150 nan 0.000 0.493 47 P HA 0.166 nan 4.420 nan 0.000 0.269 47 P C -0.218 177.082 177.300 -0.001 0.000 1.211 47 P CA 0.268 63.365 63.100 -0.004 0.000 0.781 47 P CB 0.330 32.025 31.700 -0.008 0.000 0.877 48 T N 2.151 116.702 114.554 -0.004 0.000 2.799 48 T HA 0.475 4.825 4.350 0.000 0.000 0.286 48 T C 0.241 174.939 174.700 -0.004 0.000 0.973 48 T CA -0.211 61.887 62.100 -0.003 0.000 1.035 48 T CB 0.017 68.883 68.868 -0.004 0.000 0.932 48 T HN 0.174 nan 8.240 nan 0.000 0.469 49 I N 3.055 123.623 120.570 -0.003 0.000 2.330 49 I HA 0.426 4.596 4.170 0.000 0.000 0.289 49 I C 0.413 176.528 176.117 -0.003 0.000 1.001 49 I CA -0.391 60.907 61.300 -0.003 0.000 1.193 49 I CB 1.543 39.541 38.000 -0.002 0.000 1.345 49 I HN 0.504 nan 8.210 nan 0.000 0.461 50 T N 4.620 119.171 114.554 -0.005 0.000 2.903 50 T HA 0.406 4.756 4.350 0.000 0.000 0.299 50 T C 0.024 174.721 174.700 -0.005 0.000 1.093 50 T CA -0.589 61.508 62.100 -0.005 0.000 1.002 50 T CB 1.692 70.556 68.868 -0.006 0.000 1.127 50 T HN 0.618 nan 8.240 nan 0.000 0.488 51 K N 1.620 122.017 120.400 -0.005 0.000 2.478 51 K HA 0.188 4.508 4.320 0.000 0.000 0.205 51 K C -0.635 175.962 176.600 -0.006 0.000 1.033 51 K CA -0.230 56.054 56.287 -0.005 0.000 1.091 51 K CB 0.473 32.971 32.500 -0.005 0.000 0.844 51 K HN 0.440 nan 8.250 nan 0.000 0.507 52 D N 0.373 120.768 120.400 -0.007 0.000 2.441 52 D HA 0.104 4.744 4.640 0.000 0.000 0.221 52 D C 1.267 177.560 176.300 -0.011 0.000 1.156 52 D CA -0.166 53.829 54.000 -0.008 0.000 0.896 52 D CB 0.961 41.756 40.800 -0.008 0.000 1.028 52 D HN 0.222 nan 8.370 nan 0.000 0.509 53 G N 2.326 111.120 108.800 -0.011 0.000 2.545 53 G HA2 -0.290 3.670 3.960 0.000 0.000 0.222 53 G HA3 -0.290 3.670 3.960 0.000 0.000 0.222 53 G C 1.543 176.433 174.900 -0.017 0.000 1.126 53 G CA 0.939 46.031 45.100 -0.012 0.000 0.754 53 G HN 0.482 nan 8.290 nan 0.000 0.583 54 V N 0.788 120.690 119.914 -0.020 0.000 2.343 54 V HA -0.184 3.936 4.120 0.000 0.000 0.247 54 V C 3.098 179.178 176.094 -0.023 0.000 1.051 54 V CA 2.230 64.515 62.300 -0.025 0.000 1.036 54 V CB -0.520 31.285 31.823 -0.030 0.000 0.654 54 V HN 0.393 nan 8.190 nan 0.000 0.451 55 S N -0.088 115.601 115.700 -0.018 0.000 2.370 55 S HA -0.175 4.295 4.470 0.000 0.000 0.226 55 S C 2.013 176.602 174.600 -0.017 0.000 1.033 55 S CA 1.586 59.776 58.200 -0.017 0.000 1.011 55 S CB -0.246 62.946 63.200 -0.013 0.000 0.852 55 S HN 0.401 nan 8.310 nan 0.000 0.457 56 V N 2.073 121.977 119.914 -0.016 0.000 2.295 56 V HA -0.197 3.923 4.120 0.000 0.000 0.246 56 V C 2.672 178.756 176.094 -0.017 0.000 1.049 56 V CA 1.671 63.962 62.300 -0.015 0.000 1.024 56 V CB -1.302 30.514 31.823 -0.013 0.000 0.648 56 V HN 0.541 nan 8.190 nan 0.000 0.447 57 A N -0.190 122.619 122.820 -0.019 0.000 1.940 57 A HA -0.285 4.035 4.320 0.000 0.000 0.219 57 A C 2.426 179.995 177.584 -0.024 0.000 1.176 57 A CA 2.129 54.153 52.037 -0.021 0.000 0.631 57 A CB -0.634 18.352 19.000 -0.024 0.000 0.814 57 A HN 0.463 nan 8.150 nan 0.000 0.446 58 R N -0.572 119.913 120.500 -0.025 0.000 2.120 58 R HA -0.126 4.214 4.340 0.000 0.000 0.234 58 R C 1.326 177.611 176.300 -0.026 0.000 1.123 58 R CA 1.452 57.536 56.100 -0.027 0.000 0.975 58 R CB -0.081 30.203 30.300 -0.027 0.000 0.866 58 R HN 0.459 nan 8.270 nan 0.000 0.446 59 E N 0.197 120.383 120.200 -0.023 0.000 2.435 59 E HA -0.009 4.341 4.350 0.000 0.000 0.195 59 E C 0.239 176.826 176.600 -0.023 0.000 1.029 59 E CA 0.198 56.584 56.400 -0.023 0.000 0.865 59 E CB 0.215 29.902 29.700 -0.022 0.000 0.833 59 E HN 0.225 nan 8.360 nan 0.000 0.510 60 I N 2.057 122.615 120.570 -0.021 0.000 2.436 60 I HA 0.131 4.301 4.170 0.000 0.000 0.289 60 I C 0.339 176.444 176.117 -0.020 0.000 1.083 60 I CA 0.222 61.510 61.300 -0.019 0.000 1.372 60 I CB 0.056 38.047 38.000 -0.016 0.000 1.408 60 I HN -0.069 nan 8.210 nan 0.000 0.516 61 E N 7.067 127.255 120.200 -0.021 0.000 2.287 61 E HA 0.460 4.811 4.350 0.000 0.000 0.274 61 E C -1.576 175.012 176.600 -0.020 0.000 0.896 61 E CA -0.583 55.803 56.400 -0.023 0.000 0.788 61 E CB 1.951 31.636 29.700 -0.026 0.000 1.244 61 E HN 0.441 nan 8.360 nan 0.000 0.408 62 L N 3.403 124.615 121.223 -0.018 0.000 2.360 62 L HA 0.348 4.688 4.340 0.000 0.000 0.271 62 L C 1.558 178.418 176.870 -0.017 0.000 1.057 62 L CA -0.336 54.497 54.840 -0.013 0.000 0.803 62 L CB 1.382 43.439 42.059 -0.003 0.000 1.207 62 L HN 0.753 nan 8.230 nan 0.000 0.445 63 E N 0.926 121.119 120.200 -0.011 0.000 2.072 63 E HA -0.179 4.171 4.350 0.000 0.000 0.191 63 E C 0.543 177.137 176.600 -0.011 0.000 0.985 63 E CA 0.613 57.005 56.400 -0.013 0.000 0.801 63 E CB 0.260 29.956 29.700 -0.007 0.000 0.750 63 E HN 0.646 nan 8.360 nan 0.000 0.452 64 D N 0.675 121.079 120.400 0.007 0.000 2.358 64 D HA -0.051 4.590 4.640 0.000 0.000 0.258 64 D C 0.625 176.922 176.300 -0.005 0.000 1.223 64 D CA 0.031 54.049 54.000 0.029 0.000 0.886 64 D CB 0.909 41.751 40.800 0.071 0.000 1.120 64 D HN 0.073 nan 8.370 nan 0.000 0.482 65 K N 3.474 123.825 120.400 -0.082 0.000 2.113 65 K HA -0.187 4.134 4.320 0.000 0.000 0.208 65 K C 1.865 178.311 176.600 -0.255 0.000 1.047 65 K CA 1.237 57.392 56.287 -0.220 0.000 0.928 65 K CB -0.274 32.001 32.500 -0.375 0.000 0.716 65 K HN 0.485 nan 8.250 nan 0.000 0.446 66 F N 1.711 121.646 119.950 -0.025 0.000 2.163 66 F HA -0.059 4.468 4.527 0.000 0.000 0.297 66 F C 2.397 178.184 175.800 -0.022 0.000 1.094 66 F CA 1.054 59.037 58.000 -0.028 0.000 1.290 66 F CB -0.403 38.578 39.000 -0.030 0.000 1.017 66 F HN 0.091 nan 8.300 nan 0.000 0.483 67 E N -0.132 120.165 120.200 0.162 0.000 2.153 67 E HA -0.232 4.118 4.350 0.000 0.000 0.194 67 E C 1.765 178.388 176.600 0.040 0.000 0.988 67 E CA 1.151 57.602 56.400 0.085 0.000 0.811 67 E CB -0.308 29.431 29.700 0.064 0.000 0.746 67 E HN 0.309 nan 8.360 nan 0.000 0.466 68 N N 0.643 119.350 118.700 0.012 0.000 2.142 68 N HA -0.121 4.619 4.740 0.000 0.000 0.186 68 N C 1.716 177.215 175.510 -0.017 0.000 1.023 68 N CA 1.124 54.165 53.050 -0.015 0.000 0.852 68 N CB 0.033 38.495 38.487 -0.041 0.000 0.998 68 N HN 0.049 nan 8.380 nan 0.000 0.424 69 M N -0.686 118.901 119.600 -0.022 0.000 2.159 69 M HA -0.030 4.450 4.480 0.000 0.000 0.263 69 M C 2.106 178.411 176.300 0.008 0.000 1.063 69 M CA 1.618 56.908 55.300 -0.016 0.000 1.110 69 M CB -0.480 32.109 32.600 -0.018 0.000 1.374 69 M HN 0.298 nan 8.290 nan 0.000 0.411 70 G N -0.102 108.715 108.800 0.027 0.000 2.433 70 G HA2 -0.178 3.782 3.960 0.000 0.000 0.216 70 G HA3 -0.178 3.782 3.960 0.000 0.000 0.216 70 G C 1.623 176.531 174.900 0.013 0.000 1.186 70 G CA 1.018 46.135 45.100 0.027 0.000 0.779 70 G HN 0.542 nan 8.290 nan 0.000 0.543 71 A N 0.015 122.839 122.820 0.008 0.000 1.877 71 A HA -0.082 4.238 4.320 0.000 0.000 0.216 71 A C 2.408 179.988 177.584 -0.007 0.000 1.186 71 A CA 2.043 54.080 52.037 -0.000 0.000 0.620 71 A CB -0.410 18.588 19.000 -0.003 0.000 0.822 71 A HN 0.312 nan 8.150 nan 0.000 0.443 72 Q N -0.536 119.257 119.800 -0.011 0.000 2.170 72 Q HA -0.124 4.216 4.340 0.000 0.000 0.203 72 Q C 2.113 178.105 176.000 -0.013 0.000 0.976 72 Q CA 1.548 57.341 55.803 -0.017 0.000 0.858 72 Q CB -0.562 28.163 28.738 -0.023 0.000 0.907 72 Q HN 0.797 nan 8.270 nan 0.000 0.433 73 M N -0.285 119.312 119.600 -0.005 0.000 2.077 73 M HA -0.123 4.358 4.480 0.000 0.000 0.261 73 M C 2.317 178.618 176.300 0.002 0.000 1.070 73 M CA 1.494 56.794 55.300 0.000 0.000 1.125 73 M CB -0.548 32.057 32.600 0.009 0.000 1.339 73 M HN 0.168 nan 8.290 nan 0.000 0.409 74 V N -0.132 119.784 119.914 0.004 0.000 2.427 74 V HA -0.220 3.900 4.120 0.000 0.000 0.248 74 V C 2.126 178.215 176.094 -0.009 0.000 1.051 74 V CA 1.959 64.263 62.300 0.006 0.000 1.048 74 V CB -0.674 31.155 31.823 0.010 0.000 0.666 74 V HN 0.473 nan 8.190 nan 0.000 0.456 75 K N -0.576 119.815 120.400 -0.015 0.000 2.074 75 K HA -0.233 4.087 4.320 0.000 0.000 0.209 75 K C 2.341 178.917 176.600 -0.041 0.000 1.048 75 K CA 2.032 58.303 56.287 -0.026 0.000 0.926 75 K CB -0.174 32.311 32.500 -0.024 0.000 0.713 75 K HN 0.574 nan 8.250 nan 0.000 0.444 76 E N 0.121 120.299 120.200 -0.037 0.000 2.028 76 E HA -0.146 4.204 4.350 0.000 0.000 0.191 76 E C 2.065 178.618 176.600 -0.080 0.000 0.988 76 E CA 1.607 57.977 56.400 -0.050 0.000 0.799 76 E CB -0.160 29.521 29.700 -0.032 0.000 0.755 76 E HN 0.318 nan 8.360 nan 0.000 0.447 77 V N -0.891 118.989 119.914 -0.056 0.000 2.667 77 V HA 0.000 4.120 4.120 0.000 0.000 0.252 77 V C 2.245 178.230 176.094 -0.181 0.000 1.065 77 V CA 1.655 63.905 62.300 -0.084 0.000 1.083 77 V CB -0.671 31.193 31.823 0.069 0.000 0.692 77 V HN 0.170 nan 8.190 nan 0.000 0.468 78 A N 1.786 124.549 122.820 -0.096 0.000 1.933 78 A HA -0.148 4.172 4.320 0.000 0.000 0.218 78 A C 2.616 180.103 177.584 -0.162 0.000 1.175 78 A CA 2.404 54.386 52.037 -0.092 0.000 0.628 78 A CB -1.046 17.929 19.000 -0.042 0.000 0.814 78 A HN 0.983 nan 8.150 nan 0.000 0.444 79 S N -0.069 115.537 115.700 -0.156 0.000 2.423 79 S HA -0.159 4.311 4.470 0.000 0.000 0.231 79 S C 1.772 176.224 174.600 -0.247 0.000 1.014 79 S CA 1.396 59.501 58.200 -0.159 0.000 0.965 79 S CB -0.398 62.733 63.200 -0.115 0.000 0.785 79 S HN 0.591 nan 8.310 nan 0.000 0.495 80 K N 1.418 121.581 120.400 -0.395 0.000 2.152 80 K HA -0.006 4.314 4.320 0.000 0.000 0.206 80 K C 2.490 178.695 176.600 -0.659 0.000 1.048 80 K CA 1.171 57.100 56.287 -0.596 0.000 0.933 80 K CB -0.560 31.354 32.500 -0.977 0.000 0.721 80 K HN 0.544 nan 8.250 nan 0.000 0.447 81 A N 1.836 124.291 122.820 -0.609 0.000 1.845 81 A HA -0.236 4.084 4.320 0.000 0.000 0.215 81 A C 1.918 179.436 177.584 -0.109 0.000 1.195 81 A CA 1.951 53.861 52.037 -0.211 0.000 0.616 81 A CB -0.788 18.186 19.000 -0.043 0.000 0.832 81 A HN 0.282 nan 8.150 nan 0.000 0.443 82 N N 0.086 118.711 118.700 -0.124 0.000 2.137 82 N HA -0.160 4.581 4.740 0.000 0.000 0.190 82 N C 1.148 176.585 175.510 -0.121 0.000 1.017 82 N CA 1.703 54.690 53.050 -0.105 0.000 0.859 82 N CB -0.196 38.229 38.487 -0.104 0.000 1.002 82 N HN 0.455 nan 8.380 nan 0.000 0.428 83 D N -0.496 119.824 120.400 -0.133 0.000 2.117 83 D HA -0.050 4.590 4.640 0.000 0.000 0.198 83 D C 1.721 177.977 176.300 -0.073 0.000 0.982 83 D CA 1.130 55.061 54.000 -0.115 0.000 0.828 83 D CB -0.386 40.344 40.800 -0.117 0.000 0.967 83 D HN 0.353 nan 8.370 nan 0.000 0.464 84 A N 0.263 123.059 122.820 -0.040 0.000 1.968 84 A HA 0.234 4.554 4.320 0.000 0.000 0.217 84 A C 1.927 179.526 177.584 0.026 0.000 1.169 84 A CA 1.691 53.746 52.037 0.029 0.000 0.638 84 A CB 0.046 19.125 19.000 0.132 0.000 0.812 84 A HN 0.218 nan 8.150 nan 0.000 0.446 85 A N -2.768 120.056 122.820 0.006 0.000 2.585 85 A HA 0.479 4.799 4.320 0.000 0.000 0.266 85 A C 1.481 179.053 177.584 -0.020 0.000 1.178 85 A CA 0.935 52.979 52.037 0.012 0.000 0.966 85 A CB -0.380 18.640 19.000 0.032 0.000 1.170 85 A HN 1.817 nan 8.150 nan 0.000 0.558 86 G N -0.504 108.242 108.800 -0.089 0.000 2.155 86 G HA2 -0.181 3.779 3.960 0.000 0.000 0.257 86 G HA3 -0.181 3.779 3.960 0.000 0.000 0.257 86 G C -0.147 174.699 174.900 -0.090 0.000 0.983 86 G CA 0.773 45.773 45.100 -0.168 0.000 0.676 86 G HN 0.927 nan 8.290 nan 0.000 0.528 87 D N -3.160 117.209 120.400 -0.052 0.000 2.807 87 D HA 0.559 5.199 4.640 0.000 0.000 0.279 87 D C 0.816 177.107 176.300 -0.015 0.000 1.247 87 D CA 1.424 55.407 54.000 -0.029 0.000 0.749 87 D CB 0.292 41.086 40.800 -0.008 0.000 1.264 87 D HN 1.375 nan 8.370 nan 0.000 0.421 88 G N -0.124 108.670 108.800 -0.010 0.000 2.184 88 G HA2 -0.283 3.677 3.960 0.000 0.000 0.206 88 G HA3 -0.283 3.677 3.960 0.000 0.000 0.206 88 G C 1.049 175.947 174.900 -0.003 0.000 0.995 88 G CA 1.399 46.501 45.100 0.003 0.000 0.651 88 G HN 0.972 nan 8.290 nan 0.000 0.511 89 T N -1.511 113.029 114.554 -0.024 0.000 2.652 89 T HA -0.126 4.225 4.350 0.000 0.000 0.267 89 T C 2.222 176.913 174.700 -0.016 0.000 1.039 89 T CA 2.641 64.722 62.100 -0.031 0.000 1.153 89 T CB -0.916 67.923 68.868 -0.048 0.000 0.863 89 T HN 0.309 nan 8.240 nan 0.000 0.428 90 T N 1.911 116.457 114.554 -0.013 0.000 2.684 90 T HA -0.132 4.218 4.350 0.000 0.000 0.267 90 T C 2.275 176.975 174.700 0.001 0.000 1.036 90 T CA 1.990 64.086 62.100 -0.007 0.000 1.148 90 T CB -1.105 67.759 68.868 -0.007 0.000 0.863 90 T HN 0.532 nan 8.240 nan 0.000 0.436 91 T N 1.983 116.540 114.554 0.005 0.000 2.684 91 T HA -0.098 4.252 4.350 0.000 0.000 0.267 91 T C 2.373 177.084 174.700 0.019 0.000 1.036 91 T CA 1.324 63.431 62.100 0.012 0.000 1.148 91 T CB -0.649 68.228 68.868 0.016 0.000 0.863 91 T HN 0.450 nan 8.240 nan 0.000 0.436 92 A N 1.146 123.980 122.820 0.024 0.000 1.908 92 A HA -0.159 4.161 4.320 0.000 0.000 0.218 92 A C 2.559 180.160 177.584 0.027 0.000 1.181 92 A CA 2.231 54.291 52.037 0.039 0.000 0.627 92 A CB -1.277 17.753 19.000 0.050 0.000 0.818 92 A HN 0.495 nan 8.150 nan 0.000 0.445 93 T N -0.307 114.254 114.554 0.013 0.000 2.708 93 T HA -0.140 4.210 4.350 0.000 0.000 0.266 93 T C 2.020 176.727 174.700 0.010 0.000 1.037 93 T CA 2.035 64.140 62.100 0.008 0.000 1.146 93 T CB -0.740 68.127 68.868 -0.001 0.000 0.865 93 T HN 0.700 nan 8.240 nan 0.000 0.435 94 V N 0.538 120.457 119.914 0.009 0.000 2.515 94 V HA 0.002 4.122 4.120 0.000 0.000 0.250 94 V C 2.200 178.301 176.094 0.012 0.000 1.058 94 V CA 1.360 63.665 62.300 0.009 0.000 1.064 94 V CB -0.994 30.833 31.823 0.007 0.000 0.675 94 V HN 0.460 nan 8.190 nan 0.000 0.461 95 L N 0.536 121.768 121.223 0.016 0.000 2.093 95 L HA -0.031 4.309 4.340 0.000 0.000 0.208 95 L C 3.044 179.925 176.870 0.019 0.000 1.085 95 L CA 1.642 56.493 54.840 0.018 0.000 0.755 95 L CB -0.863 41.210 42.059 0.024 0.000 0.904 95 L HN 0.466 nan 8.230 nan 0.000 0.435 96 A N -0.466 122.368 122.820 0.022 0.000 1.898 96 A HA -0.280 4.040 4.320 0.000 0.000 0.216 96 A C 2.253 179.847 177.584 0.017 0.000 1.181 96 A CA 1.770 53.821 52.037 0.022 0.000 0.620 96 A CB -0.578 18.437 19.000 0.025 0.000 0.819 96 A HN 0.493 nan 8.150 nan 0.000 0.442 97 Q N -0.442 119.366 119.800 0.013 0.000 2.135 97 Q HA -0.144 4.196 4.340 0.000 0.000 0.204 97 Q C 2.126 178.132 176.000 0.010 0.000 0.981 97 Q CA 1.690 57.499 55.803 0.011 0.000 0.856 97 Q CB -0.342 28.401 28.738 0.008 0.000 0.902 97 Q HN 0.597 nan 8.270 nan 0.000 0.425 98 A N 0.900 123.726 122.820 0.010 0.000 1.855 98 A HA -0.142 4.178 4.320 0.000 0.000 0.215 98 A C 2.008 179.597 177.584 0.009 0.000 1.191 98 A CA 1.382 53.424 52.037 0.009 0.000 0.613 98 A CB -0.671 18.334 19.000 0.008 0.000 0.829 98 A HN 0.475 nan 8.150 nan 0.000 0.442 99 I N -0.234 120.342 120.570 0.011 0.000 2.179 99 I HA -0.265 3.905 4.170 0.000 0.000 0.242 99 I C 2.356 178.479 176.117 0.011 0.000 1.088 99 I CA 1.411 62.718 61.300 0.011 0.000 1.357 99 I CB -0.457 37.550 38.000 0.013 0.000 1.051 99 I HN 0.298 nan 8.210 nan 0.000 0.409 100 I N 0.437 121.014 120.570 0.012 0.000 2.179 100 I HA -0.283 3.887 4.170 0.000 0.000 0.242 100 I C 2.629 178.751 176.117 0.010 0.000 1.088 100 I CA 1.613 62.920 61.300 0.012 0.000 1.357 100 I CB -0.659 37.349 38.000 0.014 0.000 1.051 100 I HN 0.260 nan 8.210 nan 0.000 0.409 101 T N 0.289 114.848 114.554 0.009 0.000 2.652 101 T HA -0.179 4.171 4.350 0.000 0.000 0.267 101 T C 1.842 176.546 174.700 0.006 0.000 1.039 101 T CA 1.410 63.514 62.100 0.007 0.000 1.153 101 T CB -0.168 68.704 68.868 0.006 0.000 0.863 101 T HN 0.290 nan 8.240 nan 0.000 0.428 102 E N 0.540 120.744 120.200 0.006 0.000 2.072 102 E HA 0.009 4.359 4.350 0.000 0.000 0.190 102 E C 2.578 179.181 176.600 0.006 0.000 0.982 102 E CA 0.996 57.399 56.400 0.005 0.000 0.803 102 E CB -0.909 28.794 29.700 0.005 0.000 0.755 102 E HN 0.554 nan 8.360 nan 0.000 0.453 103 G N 1.538 110.342 108.800 0.007 0.000 2.440 103 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 103 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 103 G C 1.734 176.638 174.900 0.007 0.000 1.154 103 G CA 0.668 45.773 45.100 0.007 0.000 0.767 103 G HN 0.186 nan 8.290 nan 0.000 0.552 104 L N -0.288 120.940 121.223 0.007 0.000 2.093 104 L HA -0.020 4.320 4.340 0.000 0.000 0.208 104 L C 2.963 179.836 176.870 0.005 0.000 1.085 104 L CA 1.052 55.897 54.840 0.007 0.000 0.755 104 L CB -0.290 41.773 42.059 0.007 0.000 0.904 104 L HN 0.191 nan 8.230 nan 0.000 0.435 105 K N 0.143 120.545 120.400 0.004 0.000 2.026 105 K HA -0.169 4.151 4.320 0.000 0.000 0.208 105 K C 2.251 178.853 176.600 0.003 0.000 1.048 105 K CA 1.448 57.737 56.287 0.003 0.000 0.929 105 K CB -0.248 32.253 32.500 0.003 0.000 0.713 105 K HN 0.274 nan 8.250 nan 0.000 0.439 106 A N 0.939 123.761 122.820 0.004 0.000 1.940 106 A HA -0.144 4.176 4.320 0.000 0.000 0.219 106 A C 2.335 179.921 177.584 0.004 0.000 1.176 106 A CA 1.553 53.592 52.037 0.003 0.000 0.631 106 A CB -0.671 18.331 19.000 0.004 0.000 0.814 106 A HN 0.092 nan 8.150 nan 0.000 0.446 107 V N -0.226 119.691 119.914 0.005 0.000 2.295 107 V HA -0.247 3.873 4.120 0.000 0.000 0.246 107 V C 3.045 179.141 176.094 0.004 0.000 1.049 107 V CA 1.963 64.266 62.300 0.006 0.000 1.024 107 V CB -1.250 30.577 31.823 0.008 0.000 0.648 107 V HN 0.614 nan 8.190 nan 0.000 0.447 108 A N -0.047 122.775 122.820 0.003 0.000 2.019 108 A HA -0.047 4.273 4.320 0.000 0.000 0.219 108 A C 2.231 179.816 177.584 0.001 0.000 1.164 108 A CA 1.734 53.772 52.037 0.002 0.000 0.644 108 A CB -0.600 18.401 19.000 0.001 0.000 0.805 108 A HN 0.605 nan 8.150 nan 0.000 0.449 109 A N -1.792 121.028 122.820 0.001 0.000 2.235 109 A HA 0.391 4.711 4.320 0.000 0.000 0.208 109 A C 1.760 179.344 177.584 0.000 0.000 1.172 109 A CA 1.250 53.288 52.037 0.001 0.000 0.786 109 A CB -0.927 18.073 19.000 0.001 0.000 0.804 109 A HN 1.869 nan 8.150 nan 0.000 0.479 110 G N -1.928 106.873 108.800 0.001 0.000 2.157 110 G HA2 -0.226 3.734 3.960 0.000 0.000 0.239 110 G HA3 -0.226 3.734 3.960 0.000 0.000 0.239 110 G C 0.161 175.062 174.900 0.001 0.000 0.982 110 G CA 0.241 45.342 45.100 0.001 0.000 0.650 110 G HN 0.384 nan 8.290 nan 0.000 0.527 111 M N 0.482 120.083 119.600 0.002 0.000 2.247 111 M HA 0.254 4.734 4.480 0.000 0.000 0.326 111 M C 0.700 177.003 176.300 0.004 0.000 1.134 111 M CA -0.589 54.713 55.300 0.003 0.000 1.136 111 M CB 0.434 33.035 32.600 0.003 0.000 1.454 111 M HN 0.122 nan 8.290 nan 0.000 0.467 112 N N 2.469 121.171 118.700 0.004 0.000 2.438 112 N HA 0.080 4.820 4.740 0.000 0.000 0.267 112 N C -2.068 173.446 175.510 0.006 0.000 1.222 112 N CA -1.213 51.839 53.050 0.005 0.000 0.930 112 N CB 1.039 39.528 38.487 0.004 0.000 1.083 112 N HN 0.288 nan 8.380 nan 0.000 0.476 113 P HA -0.136 nan 4.420 nan 0.000 0.215 113 P C 1.647 178.952 177.300 0.009 0.000 1.157 113 P CA 1.388 64.494 63.100 0.010 0.000 0.868 113 P CB 0.221 31.929 31.700 0.013 0.000 0.788 114 M N -0.795 118.810 119.600 0.008 0.000 2.117 114 M HA -0.134 4.346 4.480 0.000 0.000 0.262 114 M C 1.571 177.874 176.300 0.005 0.000 1.065 114 M CA 1.677 56.981 55.300 0.007 0.000 1.114 114 M CB -1.812 30.792 32.600 0.007 0.000 1.361 114 M HN -0.010 nan 8.290 nan 0.000 0.408 115 D N 0.461 120.863 120.400 0.004 0.000 2.144 115 D HA -0.046 4.594 4.640 0.000 0.000 0.200 115 D C 2.342 178.644 176.300 0.003 0.000 0.978 115 D CA 0.893 54.895 54.000 0.003 0.000 0.833 115 D CB -0.094 40.708 40.800 0.003 0.000 0.961 115 D HN 0.324 nan 8.370 nan 0.000 0.470 116 L N 0.760 121.985 121.223 0.004 0.000 2.042 116 L HA -0.202 4.138 4.340 0.000 0.000 0.210 116 L C 2.551 179.423 176.870 0.004 0.000 1.076 116 L CA 1.241 56.084 54.840 0.004 0.000 0.749 116 L CB -0.322 41.740 42.059 0.006 0.000 0.893 116 L HN -0.011 nan 8.230 nan 0.000 0.432 117 K N 0.219 120.622 120.400 0.005 0.000 2.057 117 K HA -0.218 4.102 4.320 0.000 0.000 0.207 117 K C 2.320 178.920 176.600 0.002 0.000 1.049 117 K CA 1.247 57.537 56.287 0.004 0.000 0.931 117 K CB -0.024 32.479 32.500 0.005 0.000 0.714 117 K HN 0.070 nan 8.250 nan 0.000 0.440 118 R N -0.290 120.211 120.500 0.001 0.000 2.081 118 R HA -0.102 4.239 4.340 0.000 0.000 0.235 118 R C 2.312 178.612 176.300 -0.001 0.000 1.131 118 R CA 1.710 57.810 56.100 -0.000 0.000 0.960 118 R CB -0.531 29.769 30.300 0.000 0.000 0.856 118 R HN 0.424 nan 8.270 nan 0.000 0.436 119 G N 0.785 109.586 108.800 0.000 0.000 2.421 119 G HA2 -0.240 3.720 3.960 0.000 0.000 0.216 119 G HA3 -0.240 3.720 3.960 0.000 0.000 0.216 119 G C 1.439 176.339 174.900 -0.000 0.000 1.171 119 G CA 0.830 45.931 45.100 0.000 0.000 0.775 119 G HN 0.243 nan 8.290 nan 0.000 0.543 120 I N 1.101 121.671 120.570 0.000 0.000 2.163 120 I HA -0.176 3.994 4.170 0.000 0.000 0.243 120 I C 2.344 178.459 176.117 -0.003 0.000 1.085 120 I CA 1.399 62.699 61.300 0.000 0.000 1.347 120 I CB -0.228 37.773 38.000 0.002 0.000 1.044 120 I HN 0.073 nan 8.210 nan 0.000 0.408 121 D N 0.758 121.155 120.400 -0.005 0.000 2.117 121 D HA -0.216 4.424 4.640 0.000 0.000 0.197 121 D C 2.060 178.354 176.300 -0.010 0.000 0.987 121 D CA 1.241 55.235 54.000 -0.010 0.000 0.829 121 D CB -0.255 40.539 40.800 -0.011 0.000 0.961 121 D HN 0.299 nan 8.370 nan 0.000 0.460 122 K N 0.722 121.119 120.400 -0.006 0.000 2.026 122 K HA -0.103 4.217 4.320 0.000 0.000 0.208 122 K C 2.036 178.633 176.600 -0.004 0.000 1.048 122 K CA 1.330 57.614 56.287 -0.005 0.000 0.929 122 K CB -0.054 32.444 32.500 -0.003 0.000 0.713 122 K HN 0.023 nan 8.250 nan 0.000 0.439 123 A N 0.546 123.365 122.820 -0.003 0.000 1.933 123 A HA -0.109 4.211 4.320 0.000 0.000 0.218 123 A C 2.216 179.798 177.584 -0.003 0.000 1.175 123 A CA 1.669 53.705 52.037 -0.001 0.000 0.628 123 A CB -0.595 18.406 19.000 0.001 0.000 0.814 123 A HN 0.185 nan 8.150 nan 0.000 0.444 124 V N -0.355 119.555 119.914 -0.007 0.000 2.358 124 V HA -0.216 3.904 4.120 0.000 0.000 0.246 124 V C 2.728 178.814 176.094 -0.014 0.000 1.047 124 V CA 2.428 64.722 62.300 -0.011 0.000 1.035 124 V CB -1.308 30.505 31.823 -0.018 0.000 0.658 124 V HN 0.600 nan 8.190 nan 0.000 0.452 125 T N 0.548 115.094 114.554 -0.014 0.000 2.708 125 T HA -0.185 4.165 4.350 0.000 0.000 0.266 125 T C 2.104 176.799 174.700 -0.009 0.000 1.037 125 T CA 1.726 63.818 62.100 -0.014 0.000 1.146 125 T CB -0.487 68.373 68.868 -0.013 0.000 0.865 125 T HN 0.571 nan 8.240 nan 0.000 0.435 126 A N 1.612 124.429 122.820 -0.005 0.000 1.883 126 A HA 0.057 4.377 4.320 0.000 0.000 0.217 126 A C 2.677 180.261 177.584 0.000 0.000 1.186 126 A CA 2.073 54.109 52.037 -0.001 0.000 0.624 126 A CB -1.252 17.748 19.000 0.000 0.000 0.822 126 A HN 0.522 nan 8.150 nan 0.000 0.444 127 A N -0.720 122.099 122.820 -0.000 0.000 1.908 127 A HA -0.034 4.287 4.320 0.000 0.000 0.218 127 A C 2.219 179.804 177.584 0.001 0.000 1.181 127 A CA 1.882 53.921 52.037 0.002 0.000 0.627 127 A CB -0.943 18.058 19.000 0.003 0.000 0.818 127 A HN 0.443 nan 8.150 nan 0.000 0.445 128 V N 0.111 120.023 119.914 -0.004 0.000 2.515 128 V HA -0.183 3.937 4.120 0.000 0.000 0.250 128 V C 2.554 178.647 176.094 -0.001 0.000 1.058 128 V CA 2.012 64.309 62.300 -0.005 0.000 1.064 128 V CB -0.635 31.180 31.823 -0.014 0.000 0.675 128 V HN 0.496 nan 8.190 nan 0.000 0.461 129 E N -0.038 120.162 120.200 -0.001 0.000 2.047 129 E HA -0.207 4.143 4.350 0.000 0.000 0.191 129 E C 2.236 178.839 176.600 0.005 0.000 0.987 129 E CA 1.058 57.459 56.400 0.002 0.000 0.799 129 E CB -0.224 29.477 29.700 0.001 0.000 0.752 129 E HN 0.548 nan 8.360 nan 0.000 0.449 130 E N 0.556 120.760 120.200 0.006 0.000 2.209 130 E HA -0.139 4.211 4.350 0.000 0.000 0.196 130 E C 1.859 178.466 176.600 0.012 0.000 0.993 130 E CA 0.314 56.720 56.400 0.010 0.000 0.819 130 E CB -0.180 29.527 29.700 0.011 0.000 0.745 130 E HN 0.047 nan 8.360 nan 0.000 0.477 131 L N 0.477 121.706 121.223 0.010 0.000 2.072 131 L HA -0.059 4.281 4.340 0.000 0.000 0.205 131 L C 1.829 178.707 176.870 0.012 0.000 1.079 131 L CA 1.699 56.546 54.840 0.012 0.000 0.752 131 L CB -0.263 41.802 42.059 0.010 0.000 0.906 131 L HN -0.006 nan 8.230 nan 0.000 0.436 132 K N -1.041 119.365 120.400 0.010 0.000 2.057 132 K HA -0.113 4.207 4.320 0.000 0.000 0.207 132 K C 2.087 178.693 176.600 0.011 0.000 1.049 132 K CA 1.256 57.549 56.287 0.010 0.000 0.931 132 K CB -0.306 32.198 32.500 0.007 0.000 0.714 132 K HN 0.378 nan 8.250 nan 0.000 0.440 133 A N 1.511 124.337 122.820 0.011 0.000 1.877 133 A HA -0.158 4.162 4.320 0.000 0.000 0.216 133 A C 2.090 179.683 177.584 0.015 0.000 1.186 133 A CA 1.204 53.248 52.037 0.012 0.000 0.620 133 A CB -0.698 18.309 19.000 0.012 0.000 0.822 133 A HN 0.230 nan 8.150 nan 0.000 0.443 134 L N -0.033 121.201 121.223 0.018 0.000 2.191 134 L HA -0.076 4.264 4.340 0.000 0.000 0.212 134 L C 1.413 178.295 176.870 0.020 0.000 1.103 134 L CA 0.672 55.525 54.840 0.021 0.000 0.769 134 L CB -0.307 41.766 42.059 0.024 0.000 0.908 134 L HN 0.427 nan 8.230 nan 0.000 0.438 135 S N -0.431 115.280 115.700 0.017 0.000 2.552 135 S HA 0.063 4.533 4.470 0.000 0.000 0.289 135 S C -0.190 174.420 174.600 0.016 0.000 1.304 135 S CA -0.456 57.754 58.200 0.016 0.000 1.063 135 S CB 0.579 63.787 63.200 0.015 0.000 0.848 135 S HN 0.039 nan 8.310 nan 0.000 0.499 136 V N 8.670 128.593 119.914 0.016 0.000 2.370 136 V HA 0.367 4.487 4.120 0.000 0.000 0.279 136 V C -1.997 174.105 176.094 0.013 0.000 1.029 136 V CA -1.828 60.480 62.300 0.015 0.000 0.870 136 V CB 1.180 33.012 31.823 0.015 0.000 0.984 136 V HN 0.767 nan 8.190 nan 0.000 0.451 137 P HA 0.113 nan 4.420 nan 0.000 0.270 137 P C -0.489 176.817 177.300 0.010 0.000 1.223 137 P CA -0.173 62.934 63.100 0.011 0.000 0.785 137 P CB 0.431 32.137 31.700 0.010 0.000 0.923 138 C N 1.900 121.206 119.300 0.010 0.000 3.498 138 C HA 0.388 4.848 4.460 0.000 0.000 0.218 138 C C 1.109 176.104 174.990 0.008 0.000 1.284 138 C CA 0.064 59.087 59.018 0.009 0.000 1.343 138 C CB -1.435 26.311 27.740 0.010 0.000 1.825 138 C HN 0.519 nan 8.230 nan 0.000 0.518 139 S N 1.205 116.909 115.700 0.007 0.000 2.514 139 S HA 0.107 4.577 4.470 0.000 0.000 0.223 139 S C 0.320 174.923 174.600 0.005 0.000 1.046 139 S CA 0.195 58.399 58.200 0.006 0.000 0.914 139 S CB 0.086 63.290 63.200 0.007 0.000 0.807 139 S HN 0.956 nan 8.310 nan 0.000 0.497 140 D N 0.817 121.219 120.400 0.004 0.000 2.332 140 D HA 0.311 4.951 4.640 0.000 0.000 0.252 140 D C 1.054 177.355 176.300 0.002 0.000 1.050 140 D CA -0.265 53.737 54.000 0.003 0.000 0.970 140 D CB 0.759 41.561 40.800 0.003 0.000 1.141 140 D HN 0.023 nan 8.370 nan 0.000 0.485 141 S N 0.333 116.033 115.700 0.001 0.000 2.419 141 S HA -0.276 4.194 4.470 0.000 0.000 0.233 141 S C 1.594 176.194 174.600 -0.000 0.000 1.016 141 S CA 1.134 59.334 58.200 -0.000 0.000 0.974 141 S CB -0.474 62.725 63.200 -0.001 0.000 0.786 141 S HN 0.614 nan 8.310 nan 0.000 0.492 142 K N 1.686 122.086 120.400 0.001 0.000 2.026 142 K HA -0.023 4.297 4.320 0.000 0.000 0.208 142 K C 2.337 178.937 176.600 0.001 0.000 1.048 142 K CA 1.227 57.515 56.287 0.001 0.000 0.929 142 K CB -0.643 31.858 32.500 0.002 0.000 0.713 142 K HN 0.440 nan 8.250 nan 0.000 0.439 143 A N 1.439 124.261 122.820 0.003 0.000 1.873 143 A HA -0.096 4.224 4.320 0.000 0.000 0.215 143 A C 2.104 179.689 177.584 0.003 0.000 1.186 143 A CA 1.362 53.401 52.037 0.004 0.000 0.616 143 A CB -0.592 18.411 19.000 0.005 0.000 0.823 143 A HN 0.352 nan 8.150 nan 0.000 0.442 144 I N -0.055 120.517 120.570 0.002 0.000 2.194 144 I HA -0.360 3.810 4.170 0.000 0.000 0.246 144 I C 2.944 179.061 176.117 -0.001 0.000 1.093 144 I CA 1.268 62.568 61.300 0.001 0.000 1.355 144 I CB -0.348 37.651 38.000 -0.000 0.000 1.046 144 I HN 0.389 nan 8.210 nan 0.000 0.413 145 A N 0.048 122.867 122.820 -0.001 0.000 1.873 145 A HA -0.233 4.088 4.320 0.000 0.000 0.215 145 A C 2.254 179.837 177.584 -0.002 0.000 1.186 145 A CA 1.401 53.436 52.037 -0.003 0.000 0.616 145 A CB -0.602 18.397 19.000 -0.003 0.000 0.823 145 A HN 0.446 nan 8.150 nan 0.000 0.442 146 Q N -0.404 119.396 119.800 -0.000 0.000 2.030 146 Q HA -0.160 4.180 4.340 0.000 0.000 0.204 146 Q C 2.182 178.182 176.000 0.000 0.000 0.986 146 Q CA 1.944 57.747 55.803 -0.000 0.000 0.843 146 Q CB -0.459 28.279 28.738 0.001 0.000 0.904 146 Q HN 0.487 nan 8.270 nan 0.000 0.420 147 V N 0.432 120.347 119.914 0.002 0.000 2.287 147 V HA -0.233 3.887 4.120 0.000 0.000 0.248 147 V C 2.248 178.344 176.094 0.003 0.000 1.053 147 V CA 2.020 64.323 62.300 0.004 0.000 1.027 147 V CB -1.267 30.559 31.823 0.006 0.000 0.646 147 V HN 0.572 nan 8.190 nan 0.000 0.447 148 G N -0.472 108.328 108.800 0.000 0.000 2.422 148 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 148 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 148 G C 1.675 176.574 174.900 -0.003 0.000 1.146 148 G CA 1.559 46.658 45.100 -0.002 0.000 0.769 148 G HN 0.489 nan 8.290 nan 0.000 0.547 149 T N 1.431 115.984 114.554 -0.003 0.000 2.708 149 T HA -0.046 4.304 4.350 0.000 0.000 0.266 149 T C 2.380 177.078 174.700 -0.003 0.000 1.037 149 T CA 1.005 63.102 62.100 -0.004 0.000 1.146 149 T CB -0.155 68.710 68.868 -0.004 0.000 0.865 149 T HN 0.271 nan 8.240 nan 0.000 0.435 150 I N 1.363 121.931 120.570 -0.003 0.000 2.286 150 I HA -0.155 4.015 4.170 0.000 0.000 0.248 150 I C 2.566 178.682 176.117 -0.002 0.000 1.115 150 I CA 0.953 62.251 61.300 -0.004 0.000 1.392 150 I CB -0.382 37.616 38.000 -0.003 0.000 1.065 150 I HN 0.198 nan 8.210 nan 0.000 0.418 151 S N 0.914 116.615 115.700 0.002 0.000 2.406 151 S HA -0.007 4.463 4.470 0.000 0.000 0.228 151 S C 1.947 176.549 174.600 0.005 0.000 1.020 151 S CA 1.030 59.234 58.200 0.006 0.000 0.965 151 S CB -0.198 63.009 63.200 0.012 0.000 0.798 151 S HN 0.512 nan 8.310 nan 0.000 0.488 152 A N 1.302 124.123 122.820 0.001 0.000 2.291 152 A HA 0.289 4.609 4.320 0.000 0.000 0.220 152 A C 0.747 178.330 177.584 -0.002 0.000 1.262 152 A CA 0.137 52.173 52.037 -0.000 0.000 0.867 152 A CB -0.780 18.218 19.000 -0.003 0.000 0.888 152 A HN 0.480 nan 8.150 nan 0.000 0.487 153 N N -1.003 117.695 118.700 -0.003 0.000 2.780 153 N HA -0.211 4.529 4.740 0.000 0.000 0.247 153 N C 0.126 175.632 175.510 -0.007 0.000 1.076 153 N CA 1.062 54.108 53.050 -0.006 0.000 0.688 153 N CB -1.920 36.565 38.487 -0.005 0.000 0.957 153 N HN 0.490 nan 8.380 nan 0.000 0.551 154 S N -1.551 114.145 115.700 -0.007 0.000 3.593 154 S HA -0.211 4.259 4.470 0.000 0.000 0.301 154 S C -0.470 174.127 174.600 -0.006 0.000 1.209 154 S CA 0.719 58.914 58.200 -0.007 0.000 0.878 154 S CB -1.087 62.108 63.200 -0.009 0.000 1.000 154 S HN 0.726 nan 8.310 nan 0.000 0.578 155 D N 1.324 121.721 120.400 -0.006 0.000 2.456 155 D HA 0.286 4.926 4.640 0.000 0.000 0.219 155 D C 1.098 177.395 176.300 -0.006 0.000 1.126 155 D CA -0.352 53.645 54.000 -0.005 0.000 0.890 155 D CB 0.471 41.268 40.800 -0.005 0.000 1.025 155 D HN 0.448 nan 8.370 nan 0.000 0.511 156 E N 1.046 121.243 120.200 -0.005 0.000 2.219 156 E HA -0.168 4.182 4.350 0.000 0.000 0.198 156 E C 1.369 177.965 176.600 -0.006 0.000 0.998 156 E CA 1.148 57.545 56.400 -0.005 0.000 0.818 156 E CB 0.305 30.002 29.700 -0.004 0.000 0.741 156 E HN 0.473 nan 8.360 nan 0.000 0.477 157 T N 0.723 115.274 114.554 -0.006 0.000 2.622 157 T HA -0.167 4.183 4.350 0.000 0.000 0.266 157 T C 2.108 176.803 174.700 -0.008 0.000 1.047 157 T CA 1.489 63.585 62.100 -0.007 0.000 1.159 157 T CB -0.315 68.549 68.868 -0.006 0.000 0.863 157 T HN 0.006 nan 8.240 nan 0.000 0.422 158 V N 1.486 121.395 119.914 -0.008 0.000 2.287 158 V HA -0.153 3.967 4.120 0.000 0.000 0.248 158 V C 2.891 178.978 176.094 -0.011 0.000 1.053 158 V CA 2.041 64.335 62.300 -0.011 0.000 1.027 158 V CB -1.542 30.276 31.823 -0.010 0.000 0.646 158 V HN 0.624 nan 8.190 nan 0.000 0.447 159 G N -0.366 108.428 108.800 -0.008 0.000 2.476 159 G HA2 -0.358 3.603 3.960 0.000 0.000 0.218 159 G HA3 -0.358 3.603 3.960 0.000 0.000 0.218 159 G C 1.645 176.540 174.900 -0.008 0.000 1.164 159 G CA 1.286 46.381 45.100 -0.008 0.000 0.768 159 G HN 0.514 nan 8.290 nan 0.000 0.560 160 K N -0.026 120.369 120.400 -0.008 0.000 2.009 160 K HA 0.008 4.328 4.320 0.000 0.000 0.210 160 K C 2.582 179.177 176.600 -0.009 0.000 1.049 160 K CA 1.021 57.304 56.287 -0.007 0.000 0.929 160 K CB -0.330 32.166 32.500 -0.007 0.000 0.714 160 K HN 0.340 nan 8.250 nan 0.000 0.440 161 L N 1.007 122.223 121.223 -0.011 0.000 1.990 161 L HA -0.252 4.088 4.340 0.000 0.000 0.213 161 L C 2.514 179.374 176.870 -0.016 0.000 1.072 161 L CA 1.519 56.351 54.840 -0.013 0.000 0.755 161 L CB -0.396 41.653 42.059 -0.015 0.000 0.889 161 L HN 0.293 nan 8.230 nan 0.000 0.432 162 I N -0.509 120.051 120.570 -0.018 0.000 2.208 162 I HA -0.318 3.852 4.170 0.000 0.000 0.245 162 I C 2.739 178.846 176.117 -0.016 0.000 1.097 162 I CA 1.220 62.507 61.300 -0.021 0.000 1.363 162 I CB -0.489 37.497 38.000 -0.023 0.000 1.051 162 I HN 0.256 nan 8.210 nan 0.000 0.413 163 A N 0.540 123.353 122.820 -0.012 0.000 1.930 163 A HA -0.203 4.118 4.320 0.000 0.000 0.217 163 A C 2.191 179.771 177.584 -0.008 0.000 1.175 163 A CA 1.561 53.593 52.037 -0.008 0.000 0.627 163 A CB -0.504 18.492 19.000 -0.006 0.000 0.815 163 A HN 0.466 nan 8.150 nan 0.000 0.443 164 E N -0.103 120.092 120.200 -0.009 0.000 2.072 164 E HA -0.068 4.282 4.350 0.000 0.000 0.191 164 E C 2.315 178.909 176.600 -0.010 0.000 0.985 164 E CA 0.846 57.241 56.400 -0.008 0.000 0.801 164 E CB -0.297 29.398 29.700 -0.009 0.000 0.750 164 E HN 0.609 nan 8.360 nan 0.000 0.452 165 A N 1.459 124.272 122.820 -0.013 0.000 1.877 165 A HA -0.172 4.148 4.320 0.000 0.000 0.216 165 A C 2.193 179.769 177.584 -0.013 0.000 1.186 165 A CA 1.377 53.405 52.037 -0.015 0.000 0.620 165 A CB -0.450 18.538 19.000 -0.021 0.000 0.822 165 A HN 0.127 nan 8.150 nan 0.000 0.443 166 M N -1.000 118.593 119.600 -0.012 0.000 2.296 166 M HA -0.121 4.359 4.480 0.000 0.000 0.265 166 M C 1.740 178.036 176.300 -0.006 0.000 1.064 166 M CA 1.695 56.989 55.300 -0.009 0.000 1.109 166 M CB -0.465 32.130 32.600 -0.008 0.000 1.396 166 M HN 0.478 nan 8.290 nan 0.000 0.430 167 D N 0.654 121.050 120.400 -0.006 0.000 2.178 167 D HA -0.120 4.520 4.640 0.000 0.000 0.202 167 D C 1.984 178.282 176.300 -0.004 0.000 0.974 167 D CA 1.105 55.102 54.000 -0.004 0.000 0.841 167 D CB 0.282 41.080 40.800 -0.004 0.000 0.953 167 D HN 0.028 nan 8.370 nan 0.000 0.478 168 K N -0.174 120.223 120.400 -0.006 0.000 2.031 168 K HA -0.008 4.312 4.320 0.000 0.000 0.205 168 K C 1.849 178.447 176.600 -0.004 0.000 1.049 168 K CA 1.200 57.484 56.287 -0.005 0.000 0.939 168 K CB -0.209 32.287 32.500 -0.007 0.000 0.717 168 K HN 0.301 nan 8.250 nan 0.000 0.438 169 V N -3.039 116.872 119.914 -0.005 0.000 3.427 169 V HA 0.436 4.556 4.120 0.000 0.000 0.305 169 V C 0.446 176.539 176.094 -0.002 0.000 1.412 169 V CA 0.067 62.365 62.300 -0.004 0.000 1.086 169 V CB -0.228 31.592 31.823 -0.004 0.000 0.964 169 V HN 0.344 nan 8.190 nan 0.000 0.439 170 G N 2.093 110.891 108.800 -0.002 0.000 2.712 170 G HA2 -0.165 3.795 3.960 0.000 0.000 0.686 170 G HA3 -0.165 3.795 3.960 0.000 0.000 0.686 170 G C 0.059 174.959 174.900 -0.001 0.000 1.321 170 G CA -0.138 44.961 45.100 -0.001 0.000 0.813 170 G HN 0.634 nan 8.290 nan 0.000 0.599 171 K N -0.129 120.271 120.400 0.001 0.000 2.525 171 K HA 0.105 4.425 4.320 0.000 0.000 0.192 171 K C 0.560 177.162 176.600 0.004 0.000 1.029 171 K CA 1.123 57.410 56.287 0.001 0.000 1.029 171 K CB 0.513 33.015 32.500 0.003 0.000 0.814 171 K HN 0.437 nan 8.250 nan 0.000 0.503 172 E N 1.189 121.392 120.200 0.005 0.000 2.660 172 E HA 0.120 4.470 4.350 0.000 0.000 0.216 172 E C 0.350 176.954 176.600 0.007 0.000 0.986 172 E CA -0.086 56.319 56.400 0.008 0.000 1.037 172 E CB 1.215 30.921 29.700 0.010 0.000 1.041 172 E HN 0.361 nan 8.360 nan 0.000 0.480 173 G N 0.617 109.419 108.800 0.002 0.000 2.477 173 G HA2 0.365 4.325 3.960 0.000 0.000 0.304 173 G HA3 0.365 4.325 3.960 0.000 0.000 0.304 173 G C 0.107 175.006 174.900 -0.002 0.000 1.175 173 G CA -0.449 44.651 45.100 0.001 0.000 0.907 173 G HN -0.058 nan 8.290 nan 0.000 0.509 174 V N 1.208 121.121 119.914 -0.001 0.000 2.521 174 V HA 0.245 4.365 4.120 0.000 0.000 0.286 174 V C 0.275 176.360 176.094 -0.015 0.000 1.034 174 V CA 0.447 62.743 62.300 -0.006 0.000 1.045 174 V CB 0.249 32.072 31.823 0.001 0.000 0.974 174 V HN 0.426 nan 8.190 nan 0.000 0.480 175 I N 4.208 124.762 120.570 -0.027 0.000 2.534 175 I HA 0.479 4.649 4.170 0.000 0.000 0.288 175 I C -0.164 175.925 176.117 -0.048 0.000 1.077 175 I CA -0.206 61.072 61.300 -0.036 0.000 1.051 175 I CB 2.423 40.396 38.000 -0.044 0.000 1.234 175 I HN 0.536 nan 8.210 nan 0.000 0.425 176 T N 4.757 119.287 114.554 -0.040 0.000 2.924 176 T HA 0.643 4.993 4.350 0.000 0.000 0.291 176 T C -0.569 174.107 174.700 -0.039 0.000 1.045 176 T CA -0.665 61.411 62.100 -0.040 0.000 1.015 176 T CB 2.553 71.405 68.868 -0.027 0.000 1.103 176 T HN 0.447 nan 8.240 nan 0.000 0.496 177 V N -0.441 119.450 119.914 -0.038 0.000 2.680 177 V HA 0.877 4.997 4.120 0.000 0.000 0.309 177 V C -1.002 175.080 176.094 -0.020 0.000 1.052 177 V CA -0.771 61.511 62.300 -0.031 0.000 0.908 177 V CB 1.802 33.602 31.823 -0.038 0.000 1.001 177 V HN 0.957 nan 8.190 nan 0.000 0.431 178 E N 1.641 121.832 120.200 -0.017 0.000 2.429 178 E HA 0.405 4.755 4.350 0.000 0.000 0.276 178 E C -1.658 174.936 176.600 -0.010 0.000 0.953 178 E CA -1.032 55.361 56.400 -0.012 0.000 0.787 178 E CB 1.818 31.511 29.700 -0.012 0.000 1.307 178 E HN 0.792 nan 8.360 nan 0.000 0.458 179 D N 1.060 121.456 120.400 -0.008 0.000 2.443 179 D HA 0.147 4.787 4.640 0.000 0.000 0.239 179 D C 0.267 176.562 176.300 -0.008 0.000 1.136 179 D CA 0.399 54.395 54.000 -0.007 0.000 0.879 179 D CB 0.905 41.702 40.800 -0.005 0.000 1.195 179 D HN 0.502 nan 8.370 nan 0.000 0.443 180 G N -0.327 108.469 108.800 -0.007 0.000 2.580 180 G HA2 0.261 4.221 3.960 0.000 0.000 0.278 180 G HA3 0.261 4.221 3.960 0.000 0.000 0.278 180 G C 1.024 175.920 174.900 -0.007 0.000 1.212 180 G CA -0.201 44.894 45.100 -0.008 0.000 0.939 180 G HN 0.449 nan 8.290 nan 0.000 0.513 181 T N -3.350 111.199 114.554 -0.007 0.000 3.113 181 T HA 0.426 4.777 4.350 0.000 0.000 0.256 181 T C 1.026 175.723 174.700 -0.006 0.000 1.131 181 T CA 0.714 62.810 62.100 -0.007 0.000 1.074 181 T CB -0.068 68.796 68.868 -0.007 0.000 0.944 181 T HN 2.096 nan 8.240 nan 0.000 0.516 182 G N 1.620 110.416 108.800 -0.006 0.000 3.220 182 G HA2 0.312 4.272 3.960 0.000 0.000 0.636 182 G HA3 0.312 4.272 3.960 0.000 0.000 0.636 182 G C -0.741 174.156 174.900 -0.005 0.000 1.226 182 G CA -0.698 44.399 45.100 -0.005 0.000 1.177 182 G HN 0.748 nan 8.290 nan 0.000 0.527 183 L N 1.032 122.252 121.223 -0.005 0.000 1.712 183 L HA -0.172 4.168 4.340 0.000 0.000 0.402 183 L C 0.279 177.146 176.870 -0.005 0.000 1.004 183 L CA 2.325 57.162 54.840 -0.005 0.000 1.208 183 L CB -0.551 41.505 42.059 -0.004 0.000 0.528 183 L HN 1.937 nan 8.230 nan 0.000 0.369 184 Q N 2.311 122.108 119.800 -0.005 0.000 3.120 184 Q HA -0.074 4.266 4.340 0.000 0.000 0.070 184 Q C -0.566 175.430 176.000 -0.006 0.000 1.644 184 Q CA 0.847 56.647 55.803 -0.006 0.000 0.291 184 Q CB -0.125 28.610 28.738 -0.005 0.000 0.583 184 Q HN 0.688 nan 8.270 nan 0.000 0.322 185 D N 2.511 122.906 120.400 -0.007 0.000 2.371 185 D HA 0.291 4.931 4.640 0.000 0.000 0.242 185 D C -0.013 176.282 176.300 -0.008 0.000 1.218 185 D CA 0.210 54.205 54.000 -0.008 0.000 0.945 185 D CB 0.699 41.494 40.800 -0.009 0.000 1.137 185 D HN 0.360 nan 8.370 nan 0.000 0.464 186 E N -0.256 119.938 120.200 -0.009 0.000 2.304 186 E HA 0.408 4.758 4.350 0.000 0.000 0.277 186 E C -1.291 175.303 176.600 -0.011 0.000 0.898 186 E CA -0.769 55.626 56.400 -0.009 0.000 0.764 186 E CB 2.331 32.025 29.700 -0.009 0.000 1.216 186 E HN 0.074 nan 8.360 nan 0.000 0.419 187 L N 3.183 124.400 121.223 -0.010 0.000 2.349 187 L HA 0.536 4.876 4.340 0.000 0.000 0.278 187 L C -1.676 175.188 176.870 -0.010 0.000 0.996 187 L CA -0.170 54.663 54.840 -0.011 0.000 0.825 187 L CB 1.137 43.190 42.059 -0.011 0.000 1.243 187 L HN 0.421 nan 8.230 nan 0.000 0.412 188 D N 4.354 124.748 120.400 -0.010 0.000 2.819 188 D HA 0.468 5.108 4.640 0.000 0.000 0.232 188 D C -1.071 175.224 176.300 -0.009 0.000 1.160 188 D CA -0.253 53.742 54.000 -0.009 0.000 0.858 188 D CB 2.789 43.583 40.800 -0.009 0.000 1.610 188 D HN 0.258 nan 8.370 nan 0.000 0.481 189 V N 1.401 121.311 119.914 -0.007 0.000 2.398 189 V HA 0.504 4.624 4.120 0.000 0.000 0.286 189 V C 0.496 176.587 176.094 -0.004 0.000 1.026 189 V CA -0.639 61.658 62.300 -0.006 0.000 0.868 189 V CB 1.394 33.215 31.823 -0.005 0.000 0.982 189 V HN 0.500 nan 8.190 nan 0.000 0.443 190 V N 1.423 121.335 119.914 -0.004 0.000 3.155 190 V HA 0.713 4.833 4.120 0.000 0.000 0.313 190 V C -0.352 175.742 176.094 0.001 0.000 1.162 190 V CA -1.071 61.227 62.300 -0.002 0.000 1.048 190 V CB 2.113 33.934 31.823 -0.004 0.000 1.092 190 V HN 0.636 nan 8.190 nan 0.000 0.447 191 E N 1.233 121.435 120.200 0.002 0.000 2.324 191 E HA 0.614 4.964 4.350 0.000 0.000 0.271 191 E C 0.205 176.812 176.600 0.011 0.000 1.028 191 E CA 0.885 57.288 56.400 0.006 0.000 0.890 191 E CB 0.852 30.555 29.700 0.006 0.000 1.004 191 E HN 1.190 nan 8.360 nan 0.000 0.431 192 G N 1.307 110.117 108.800 0.017 0.000 2.548 192 G HA2 0.612 4.572 3.960 0.000 0.000 0.301 192 G HA3 0.612 4.572 3.960 0.000 0.000 0.301 192 G C -1.206 173.718 174.900 0.040 0.000 1.349 192 G CA -0.595 44.521 45.100 0.026 0.000 0.792 192 G HN 0.411 nan 8.290 nan 0.000 0.481 193 M N -0.549 119.087 119.600 0.060 0.000 2.833 193 M HA 0.624 5.104 4.480 0.000 0.000 0.270 193 M C -2.329 174.038 176.300 0.113 0.000 1.209 193 M CA -0.685 54.669 55.300 0.091 0.000 0.826 193 M CB 2.473 35.142 32.600 0.115 0.000 1.657 193 M HN 0.761 nan 8.290 nan 0.000 0.492 194 Q N 2.580 122.463 119.800 0.139 0.000 2.281 194 Q HA 0.593 4.933 4.340 0.000 0.000 0.263 194 Q C -2.273 173.833 176.000 0.177 0.000 0.989 194 Q CA -0.650 55.200 55.803 0.079 0.000 0.852 194 Q CB 1.896 30.636 28.738 0.003 0.000 1.337 194 Q HN 0.570 nan 8.270 nan 0.000 0.418 195 F N -0.128 119.824 119.950 0.004 0.000 2.611 195 F HA 0.583 5.110 4.527 0.000 0.000 0.324 195 F C -0.437 175.366 175.800 0.005 0.000 1.061 195 F CA -1.289 56.715 58.000 0.007 0.000 0.954 195 F CB 1.041 40.047 39.000 0.009 0.000 1.301 195 F HN 0.291 nan 8.300 nan 0.000 0.482 196 D N 2.697 123.202 120.400 0.174 0.000 2.619 196 D HA 0.210 4.850 4.640 0.000 0.000 0.224 196 D C -0.352 175.994 176.300 0.077 0.000 1.133 196 D CA 0.241 54.279 54.000 0.062 0.000 1.017 196 D CB -0.062 40.782 40.800 0.072 0.000 1.077 196 D HN 0.286 nan 8.370 nan 0.000 0.503 197 R N 0.405 120.894 120.500 -0.019 0.000 2.510 197 R HA 0.448 4.789 4.340 0.000 0.000 0.287 197 R C 0.265 176.491 176.300 -0.124 0.000 1.084 197 R CA -0.682 55.430 56.100 0.020 0.000 0.934 197 R CB 1.953 32.399 30.300 0.245 0.000 1.201 197 R HN 0.231 nan 8.270 nan 0.000 0.431 198 G N 1.284 109.999 108.800 -0.142 0.000 2.537 198 G HA2 0.387 4.347 3.960 0.000 0.000 0.297 198 G HA3 0.387 4.347 3.960 0.000 0.000 0.297 198 G C -0.501 174.303 174.900 -0.161 0.000 1.310 198 G CA -0.470 44.458 45.100 -0.286 0.000 1.027 198 G HN 0.442 nan 8.290 nan 0.000 0.505 199 Y N -1.416 118.921 120.300 0.061 0.000 2.578 199 Y HA 0.270 4.820 4.550 0.000 0.000 0.339 199 Y C 1.185 177.196 175.900 0.186 0.000 1.231 199 Y CA -1.113 57.077 58.100 0.150 0.000 1.461 199 Y CB 0.333 38.929 38.460 0.227 0.000 1.323 199 Y HN 0.179 nan 8.280 nan 0.000 0.590 200 L N 2.153 123.683 121.223 0.512 0.000 2.650 200 L HA 0.093 4.433 4.340 0.000 0.000 0.235 200 L C 0.248 177.322 176.870 0.339 0.000 1.149 200 L CA 0.946 56.015 54.840 0.382 0.000 0.887 200 L CB -0.654 41.619 42.059 0.357 0.000 1.021 200 L HN 0.914 nan 8.230 nan 0.000 0.441 201 S N -3.334 112.602 115.700 0.394 0.000 2.751 201 S HA 0.237 4.707 4.470 0.000 0.000 0.289 201 S C -2.915 171.533 174.600 -0.253 0.000 0.965 201 S CA -1.158 57.088 58.200 0.077 0.000 0.855 201 S CB 0.837 63.999 63.200 -0.064 0.000 1.068 201 S HN -0.254 nan 8.310 nan 0.000 0.462 202 P HA 0.408 nan 4.420 nan 0.000 0.339 202 P C 0.346 177.300 177.300 -0.578 0.000 1.413 202 P CA 0.652 63.267 63.100 -0.809 0.000 0.833 202 P CB -0.116 31.143 31.700 -0.734 0.000 2.004 203 Y N -4.850 115.254 120.300 -0.326 0.000 2.818 203 Y HA -0.300 4.250 4.550 0.000 0.000 0.487 203 Y C 1.898 177.697 175.900 -0.167 0.000 1.146 203 Y CA 1.452 59.394 58.100 -0.263 0.000 2.839 203 Y CB -2.998 35.248 38.460 -0.356 0.000 0.893 203 Y HN 0.093 nan 8.280 nan 0.000 0.545 204 F N 0.380 120.318 119.950 -0.021 0.000 2.216 204 F HA -0.023 4.504 4.527 0.000 0.000 0.300 204 F C 1.547 177.305 175.800 -0.070 0.000 1.085 204 F CA 0.573 58.556 58.000 -0.029 0.000 1.326 204 F CB -0.632 38.352 39.000 -0.026 0.000 1.027 204 F HN -0.021 nan 8.300 nan 0.000 0.497 205 I N 2.566 123.135 120.570 -0.003 0.000 2.943 205 I HA -0.219 3.951 4.170 0.000 0.000 0.296 205 I C 0.537 176.662 176.117 0.013 0.000 1.220 205 I CA 0.585 61.858 61.300 -0.044 0.000 1.409 205 I CB -0.083 37.819 38.000 -0.163 0.000 1.374 205 I HN 0.231 nan 8.210 nan 0.000 0.545 206 N N 5.450 124.172 118.700 0.035 0.000 2.200 206 N HA 0.105 4.845 4.740 0.000 0.000 0.224 206 N C -0.217 175.308 175.510 0.024 0.000 1.179 206 N CA -0.281 52.789 53.050 0.035 0.000 0.877 206 N CB 0.553 39.067 38.487 0.044 0.000 1.072 206 N HN 0.401 nan 8.380 nan 0.000 0.519 207 K N 1.054 121.466 120.400 0.021 0.000 2.992 207 K HA 0.205 4.525 4.320 0.000 0.000 0.178 207 K C -2.209 174.400 176.600 0.015 0.000 1.122 207 K CA -1.260 55.039 56.287 0.019 0.000 0.926 207 K CB 2.223 34.738 32.500 0.026 0.000 1.121 207 K HN -0.018 nan 8.250 nan 0.000 0.610 208 P HA -0.214 nan 4.420 nan 0.000 0.217 208 P C 0.503 177.804 177.300 0.001 0.000 1.148 208 P CA 1.460 64.556 63.100 -0.006 0.000 0.828 208 P CB 0.495 32.188 31.700 -0.011 0.000 0.783 209 E N -0.075 120.130 120.200 0.007 0.000 2.097 209 E HA -0.127 4.223 4.350 0.000 0.000 0.196 209 E C 1.740 178.347 176.600 0.013 0.000 1.000 209 E CA 2.007 58.412 56.400 0.008 0.000 0.804 209 E CB -1.332 28.374 29.700 0.011 0.000 0.740 209 E HN 0.325 nan 8.360 nan 0.000 0.454 210 T N -1.328 113.239 114.554 0.021 0.000 3.069 210 T HA 0.296 4.646 4.350 0.000 0.000 0.252 210 T C 1.055 175.780 174.700 0.041 0.000 1.053 210 T CA 0.222 62.340 62.100 0.031 0.000 0.964 210 T CB 0.624 69.516 68.868 0.041 0.000 1.005 210 T HN 0.354 nan 8.240 nan 0.000 0.532 211 G N 1.871 110.693 108.800 0.037 0.000 2.338 211 G HA2 0.025 3.985 3.960 0.000 0.000 0.296 211 G HA3 0.025 3.985 3.960 0.000 0.000 0.296 211 G C 0.057 175.035 174.900 0.130 0.000 1.040 211 G CA 0.090 45.224 45.100 0.057 0.000 1.004 211 G HN 0.922 nan 8.290 nan 0.000 0.509 212 A N -1.230 121.650 122.820 0.100 0.000 2.430 212 A HA 0.922 5.242 4.320 0.000 0.000 0.300 212 A C -0.260 177.389 177.584 0.107 0.000 1.124 212 A CA -0.401 51.717 52.037 0.134 0.000 0.766 212 A CB 2.151 21.202 19.000 0.086 0.000 1.328 212 A HN 1.217 nan 8.150 nan 0.000 0.424 213 V N 1.062 121.058 119.914 0.135 0.000 2.398 213 V HA 0.519 4.639 4.120 0.000 0.000 0.286 213 V C -0.105 176.023 176.094 0.056 0.000 1.026 213 V CA -0.330 62.029 62.300 0.098 0.000 0.868 213 V CB 1.263 33.164 31.823 0.131 0.000 0.982 213 V HN 0.912 nan 8.190 nan 0.000 0.443 214 E N 4.771 124.993 120.200 0.036 0.000 2.220 214 E HA 0.570 4.920 4.350 0.000 0.000 0.256 214 E C -1.618 174.987 176.600 0.008 0.000 0.881 214 E CA -0.530 55.881 56.400 0.018 0.000 0.766 214 E CB 1.405 31.115 29.700 0.017 0.000 1.187 214 E HN 0.629 nan 8.360 nan 0.000 0.419 215 L N 3.427 124.649 121.223 -0.002 0.000 2.317 215 L HA 0.501 4.841 4.340 0.000 0.000 0.281 215 L C -0.185 176.674 176.870 -0.019 0.000 1.024 215 L CA -0.786 54.048 54.840 -0.010 0.000 0.810 215 L CB 1.777 43.826 42.059 -0.016 0.000 1.240 215 L HN 0.476 nan 8.230 nan 0.000 0.427 216 E N 1.432 121.616 120.200 -0.025 0.000 2.145 216 E HA 0.304 4.654 4.350 0.000 0.000 0.270 216 E C -0.455 176.107 176.600 -0.063 0.000 0.906 216 E CA -0.516 55.862 56.400 -0.037 0.000 0.761 216 E CB 1.574 31.257 29.700 -0.028 0.000 1.116 216 E HN 0.620 nan 8.360 nan 0.000 0.408 217 S N 1.958 117.610 115.700 -0.079 0.000 3.628 217 S HA -0.122 4.349 4.470 0.000 0.000 0.373 217 S C -2.163 172.320 174.600 -0.196 0.000 0.968 217 S CA 0.299 58.420 58.200 -0.132 0.000 1.215 217 S CB -1.393 61.726 63.200 -0.135 0.000 0.912 217 S HN 0.510 nan 8.310 nan 0.000 0.495 218 P HA 0.540 nan 4.420 nan 0.000 0.281 218 P C -0.013 177.204 177.300 -0.138 0.000 1.249 218 P CA -0.617 62.411 63.100 -0.120 0.000 0.810 218 P CB 0.577 32.257 31.700 -0.033 0.000 1.008 219 F N 0.843 120.792 119.950 -0.002 0.000 2.368 219 F HA 0.435 4.962 4.527 0.000 0.000 0.315 219 F C 0.945 176.745 175.800 0.001 0.000 1.145 219 F CA -0.171 57.829 58.000 0.000 0.000 1.095 219 F CB 0.544 39.543 39.000 -0.001 0.000 1.286 219 F HN 0.076 nan 8.300 nan 0.000 0.530 220 I N 3.129 123.843 120.570 0.240 0.000 2.500 220 I HA 0.212 4.382 4.170 0.000 0.000 0.286 220 I C -1.522 174.648 176.117 0.089 0.000 1.063 220 I CA -0.818 60.558 61.300 0.127 0.000 1.062 220 I CB 1.898 39.956 38.000 0.096 0.000 1.223 220 I HN 0.212 nan 8.210 nan 0.000 0.435 221 L N 8.206 129.465 121.223 0.059 0.000 2.257 221 L HA 0.531 4.872 4.340 0.000 0.000 0.290 221 L C -1.095 175.788 176.870 0.022 0.000 1.044 221 L CA 0.013 54.870 54.840 0.028 0.000 0.810 221 L CB 0.842 42.909 42.059 0.013 0.000 1.193 221 L HN 0.454 nan 8.230 nan 0.000 0.425 222 L N 6.403 127.633 121.223 0.011 0.000 2.277 222 L HA 0.747 5.087 4.340 0.000 0.000 0.284 222 L C -0.060 176.808 176.870 -0.004 0.000 1.028 222 L CA -0.435 54.405 54.840 -0.000 0.000 0.835 222 L CB 1.218 43.270 42.059 -0.011 0.000 1.215 222 L HN 0.804 nan 8.230 nan 0.000 0.425 223 A N 1.741 124.561 122.820 0.000 0.000 2.311 223 A HA 0.352 4.673 4.320 0.000 0.000 0.306 223 A C -0.419 177.166 177.584 0.002 0.000 1.189 223 A CA -0.534 51.504 52.037 0.001 0.000 0.791 223 A CB 0.901 19.906 19.000 0.008 0.000 1.172 223 A HN 0.694 nan 8.150 nan 0.000 0.481 224 D N 2.568 122.966 120.400 -0.003 0.000 2.934 224 D HA 0.290 4.930 4.640 0.000 0.000 0.237 224 D C 0.218 176.521 176.300 0.007 0.000 1.158 224 D CA 0.413 54.412 54.000 -0.002 0.000 0.971 224 D CB -0.563 40.231 40.800 -0.009 0.000 1.123 224 D HN 0.623 nan 8.370 nan 0.000 0.467 225 K N -1.137 119.271 120.400 0.013 0.000 2.672 225 K HA 0.369 4.689 4.320 0.000 0.000 0.295 225 K C -1.182 175.434 176.600 0.026 0.000 1.042 225 K CA -1.197 55.101 56.287 0.018 0.000 0.869 225 K CB 0.879 33.388 32.500 0.014 0.000 1.541 225 K HN -0.209 nan 8.250 nan 0.000 0.396 226 K N 1.149 121.565 120.400 0.028 0.000 2.156 226 K HA 0.431 4.751 4.320 0.000 0.000 0.271 226 K C -0.586 176.033 176.600 0.031 0.000 0.995 226 K CA -0.591 55.716 56.287 0.034 0.000 0.890 226 K CB 1.093 33.613 32.500 0.034 0.000 1.073 226 K HN 0.382 nan 8.250 nan 0.000 0.454 227 I N 2.313 122.905 120.570 0.037 0.000 2.312 227 I HA 0.059 4.229 4.170 0.000 0.000 0.290 227 I C 0.546 176.684 176.117 0.036 0.000 1.008 227 I CA 0.005 61.326 61.300 0.035 0.000 1.226 227 I CB 1.617 39.641 38.000 0.039 0.000 1.371 227 I HN 0.696 nan 8.210 nan 0.000 0.468 228 S N 3.637 119.353 115.700 0.028 0.000 2.655 228 S HA 0.073 4.543 4.470 0.000 0.000 0.231 228 S C 0.850 175.464 174.600 0.023 0.000 1.044 228 S CA 0.088 58.303 58.200 0.026 0.000 0.910 228 S CB 0.135 63.347 63.200 0.021 0.000 0.833 228 S HN 0.637 nan 8.310 nan 0.000 0.581 229 N N 2.162 120.874 118.700 0.018 0.000 2.439 229 N HA 0.209 4.949 4.740 0.000 0.000 0.243 229 N C 0.289 175.809 175.510 0.017 0.000 1.088 229 N CA -0.023 53.036 53.050 0.015 0.000 0.940 229 N CB 0.491 38.984 38.487 0.011 0.000 1.180 229 N HN 0.295 nan 8.380 nan 0.000 0.505 230 I N 3.165 123.746 120.570 0.019 0.000 3.164 230 I HA -0.193 3.977 4.170 0.000 0.000 0.278 230 I C 1.955 178.081 176.117 0.014 0.000 1.320 230 I CA 0.560 61.872 61.300 0.021 0.000 1.422 230 I CB 0.124 38.139 38.000 0.025 0.000 1.066 230 I HN 0.445 nan 8.210 nan 0.000 0.503 231 R N 0.946 121.453 120.500 0.010 0.000 2.081 231 R HA -0.187 4.153 4.340 0.000 0.000 0.235 231 R C 1.999 178.302 176.300 0.004 0.000 1.131 231 R CA 1.642 57.746 56.100 0.006 0.000 0.960 231 R CB -0.207 30.096 30.300 0.005 0.000 0.856 231 R HN 0.424 nan 8.270 nan 0.000 0.436 232 E N -0.582 119.621 120.200 0.005 0.000 2.147 232 E HA -0.270 4.080 4.350 0.000 0.000 0.199 232 E C 1.777 178.377 176.600 -0.000 0.000 1.005 232 E CA 1.406 57.807 56.400 0.003 0.000 0.810 232 E CB -0.063 29.640 29.700 0.005 0.000 0.736 232 E HN 0.304 nan 8.360 nan 0.000 0.460 233 M N 0.029 119.631 119.600 0.004 0.000 2.156 233 M HA -0.079 4.401 4.480 0.000 0.000 0.264 233 M C 2.392 178.689 176.300 -0.005 0.000 1.067 233 M CA 0.988 56.289 55.300 0.001 0.000 1.131 233 M CB -0.915 31.692 32.600 0.011 0.000 1.368 233 M HN 0.161 nan 8.290 nan 0.000 0.416 234 L N 0.507 121.730 121.223 -0.001 0.000 2.064 234 L HA -0.304 4.037 4.340 0.000 0.000 0.234 234 L C -0.216 176.647 176.870 -0.011 0.000 1.103 234 L CA 2.291 57.130 54.840 -0.003 0.000 0.824 234 L CB -2.854 39.204 42.059 -0.001 0.000 0.919 234 L HN 0.199 nan 8.230 nan 0.000 0.447 235 P HA -0.150 nan 4.420 nan 0.000 0.216 235 P C 1.775 179.053 177.300 -0.036 0.000 1.153 235 P CA 1.835 64.922 63.100 -0.023 0.000 0.858 235 P CB -0.057 31.630 31.700 -0.022 0.000 0.789 236 V N 0.188 120.078 119.914 -0.041 0.000 2.323 236 V HA -0.175 3.945 4.120 0.000 0.000 0.244 236 V C 2.921 178.978 176.094 -0.061 0.000 1.041 236 V CA 1.313 63.574 62.300 -0.065 0.000 1.025 236 V CB -1.386 30.400 31.823 -0.062 0.000 0.656 236 V HN -0.030 nan 8.190 nan 0.000 0.451 237 L N 0.101 121.305 121.223 -0.031 0.000 2.042 237 L HA -0.243 4.097 4.340 0.000 0.000 0.210 237 L C 2.686 179.549 176.870 -0.012 0.000 1.076 237 L CA 2.106 56.938 54.840 -0.013 0.000 0.749 237 L CB -0.551 41.510 42.059 0.004 0.000 0.893 237 L HN 0.453 nan 8.230 nan 0.000 0.432 238 E N 0.148 120.339 120.200 -0.015 0.000 2.077 238 E HA -0.261 4.089 4.350 0.000 0.000 0.193 238 E C 2.199 178.789 176.600 -0.017 0.000 0.989 238 E CA 1.199 57.593 56.400 -0.010 0.000 0.800 238 E CB 0.020 29.713 29.700 -0.011 0.000 0.746 238 E HN 0.487 nan 8.360 nan 0.000 0.452 239 A N 0.439 123.233 122.820 -0.043 0.000 1.902 239 A HA -0.139 4.181 4.320 0.000 0.000 0.217 239 A C 2.360 179.908 177.584 -0.059 0.000 1.181 239 A CA 1.475 53.472 52.037 -0.065 0.000 0.623 239 A CB -0.572 18.359 19.000 -0.116 0.000 0.818 239 A HN 0.227 nan 8.150 nan 0.000 0.443 240 V N -0.208 119.666 119.914 -0.066 0.000 2.667 240 V HA -0.156 3.964 4.120 0.000 0.000 0.252 240 V C 2.932 179.072 176.094 0.076 0.000 1.065 240 V CA 1.441 63.750 62.300 0.015 0.000 1.083 240 V CB -1.129 30.711 31.823 0.028 0.000 0.692 240 V HN 0.619 nan 8.190 nan 0.000 0.468 241 A N -0.011 122.832 122.820 0.038 0.000 1.865 241 A HA -0.163 4.157 4.320 0.000 0.000 0.217 241 A C 1.592 179.204 177.584 0.047 0.000 1.191 241 A CA 1.286 53.346 52.037 0.040 0.000 0.623 241 A CB -0.263 18.751 19.000 0.023 0.000 0.826 241 A HN 0.536 nan 8.150 nan 0.000 0.444 242 K N -2.773 117.650 120.400 0.038 0.000 2.136 242 K HA 0.402 4.723 4.320 0.000 0.000 0.237 242 K C 1.111 177.757 176.600 0.076 0.000 1.048 242 K CA 0.239 56.552 56.287 0.043 0.000 0.880 242 K CB 0.056 32.574 32.500 0.029 0.000 1.105 242 K HN 0.831 nan 8.250 nan 0.000 0.507 243 A N -0.113 122.755 122.820 0.080 0.000 4.287 243 A HA -0.219 4.102 4.320 0.000 0.000 0.258 243 A C 1.194 178.837 177.584 0.098 0.000 0.811 243 A CA 1.696 53.803 52.037 0.118 0.000 1.245 243 A CB -2.496 16.642 19.000 0.230 0.000 1.055 243 A HN 1.461 nan 8.150 nan 0.000 0.763 244 G N -0.699 108.152 108.800 0.085 0.000 2.366 244 G HA2 -0.239 3.721 3.960 0.000 0.000 0.299 244 G HA3 -0.239 3.721 3.960 0.000 0.000 0.299 244 G C -0.121 174.809 174.900 0.051 0.000 1.020 244 G CA 1.526 46.661 45.100 0.059 0.000 1.026 244 G HN 1.156 nan 8.290 nan 0.000 0.512 245 K N 0.448 120.902 120.400 0.090 0.000 2.318 245 K HA 0.535 4.855 4.320 0.000 0.000 0.249 245 K C -2.228 174.421 176.600 0.082 0.000 0.942 245 K CA -2.072 54.236 56.287 0.035 0.000 0.808 245 K CB 2.853 35.303 32.500 -0.083 0.000 1.189 245 K HN 0.081 nan 8.250 nan 0.000 0.428 246 P HA 0.139 nan 4.420 nan 0.000 0.274 246 P C -1.204 176.148 177.300 0.087 0.000 1.246 246 P CA -0.552 62.574 63.100 0.044 0.000 0.795 246 P CB 0.743 32.447 31.700 0.007 0.000 1.006 247 L N 1.718 122.983 121.223 0.071 0.000 2.410 247 L HA 0.546 4.886 4.340 0.000 0.000 0.270 247 L C -1.481 175.399 176.870 0.018 0.000 0.983 247 L CA -1.013 53.882 54.840 0.092 0.000 0.822 247 L CB 1.675 43.792 42.059 0.095 0.000 1.285 247 L HN 0.176 nan 8.230 nan 0.000 0.409 248 L N 5.976 127.218 121.223 0.032 0.000 2.287 248 L HA 0.613 4.953 4.340 0.000 0.000 0.287 248 L C -1.166 175.713 176.870 0.015 0.000 1.022 248 L CA -0.167 54.671 54.840 -0.004 0.000 0.814 248 L CB 1.059 43.132 42.059 0.023 0.000 1.217 248 L HN 0.461 nan 8.230 nan 0.000 0.420 249 I N 7.078 127.639 120.570 -0.014 0.000 2.304 249 I HA 0.280 4.450 4.170 0.000 0.000 0.291 249 I C -0.084 176.058 176.117 0.041 0.000 1.018 249 I CA -0.139 61.170 61.300 0.014 0.000 1.260 249 I CB 1.032 39.037 38.000 0.009 0.000 1.390 249 I HN 0.585 nan 8.210 nan 0.000 0.475 250 I N 6.246 126.846 120.570 0.051 0.000 2.412 250 I HA 0.476 4.646 4.170 0.000 0.000 0.279 250 I C 0.300 176.439 176.117 0.038 0.000 1.063 250 I CA -0.215 61.124 61.300 0.064 0.000 1.193 250 I CB 1.116 39.148 38.000 0.052 0.000 1.370 250 I HN 0.619 nan 8.210 nan 0.000 0.479 251 A N 4.183 127.033 122.820 0.050 0.000 2.387 251 A HA 0.444 4.765 4.320 0.000 0.000 0.298 251 A C 0.893 178.505 177.584 0.046 0.000 1.165 251 A CA -0.540 51.520 52.037 0.040 0.000 0.814 251 A CB 1.368 20.394 19.000 0.044 0.000 1.357 251 A HN 0.694 nan 8.150 nan 0.000 0.443 252 E N -0.719 119.505 120.200 0.039 0.000 2.204 252 E HA -0.097 4.253 4.350 0.000 0.000 0.195 252 E C -0.414 176.222 176.600 0.059 0.000 0.990 252 E CA 1.548 57.975 56.400 0.046 0.000 0.821 252 E CB 0.131 29.855 29.700 0.039 0.000 0.750 252 E HN 0.649 nan 8.360 nan 0.000 0.477 253 D N -2.331 118.106 120.400 0.060 0.000 2.951 253 D HA 0.043 4.683 4.640 0.000 0.000 0.262 253 D C -1.993 174.350 176.300 0.071 0.000 1.110 253 D CA -0.471 53.571 54.000 0.070 0.000 0.724 253 D CB 1.140 41.977 40.800 0.062 0.000 1.516 253 D HN -0.140 nan 8.370 nan 0.000 0.447 254 V N 2.764 122.730 119.914 0.087 0.000 2.376 254 V HA 0.406 4.527 4.120 0.000 0.000 0.287 254 V C 0.220 176.364 176.094 0.085 0.000 1.015 254 V CA -0.693 61.660 62.300 0.090 0.000 0.834 254 V CB 1.325 33.221 31.823 0.122 0.000 1.001 254 V HN 0.480 nan 8.190 nan 0.000 0.428 255 E N 2.601 122.839 120.200 0.064 0.000 2.392 255 E HA 0.291 4.641 4.350 0.000 0.000 0.259 255 E C 1.437 178.067 176.600 0.049 0.000 1.108 255 E CA 0.425 56.856 56.400 0.052 0.000 0.916 255 E CB 1.115 30.838 29.700 0.039 0.000 0.989 255 E HN 0.769 nan 8.360 nan 0.000 0.432 256 G N 2.076 110.900 108.800 0.039 0.000 2.859 256 G HA2 -0.455 3.505 3.960 0.000 0.000 0.236 256 G HA3 -0.455 3.505 3.960 0.000 0.000 0.236 256 G C 1.358 176.269 174.900 0.019 0.000 1.207 256 G CA 1.758 46.875 45.100 0.028 0.000 0.769 256 G HN 0.659 nan 8.290 nan 0.000 0.674 257 E N 0.703 120.912 120.200 0.015 0.000 2.038 257 E HA -0.025 4.326 4.350 0.000 0.000 0.195 257 E C 2.857 179.467 176.600 0.016 0.000 1.000 257 E CA 1.938 58.342 56.400 0.008 0.000 0.803 257 E CB -0.760 28.944 29.700 0.007 0.000 0.750 257 E HN 0.435 nan 8.360 nan 0.000 0.448 258 A N 0.229 123.066 122.820 0.029 0.000 1.908 258 A HA -0.179 4.142 4.320 0.000 0.000 0.218 258 A C 2.225 179.846 177.584 0.061 0.000 1.181 258 A CA 1.632 53.694 52.037 0.042 0.000 0.627 258 A CB -0.858 18.170 19.000 0.048 0.000 0.818 258 A HN 0.378 nan 8.150 nan 0.000 0.445 259 L N -0.339 120.926 121.223 0.069 0.000 2.046 259 L HA -0.075 4.265 4.340 0.000 0.000 0.208 259 L C 2.757 179.648 176.870 0.034 0.000 1.077 259 L CA 2.079 56.977 54.840 0.097 0.000 0.747 259 L CB -0.787 41.327 42.059 0.092 0.000 0.896 259 L HN 0.372 nan 8.230 nan 0.000 0.432 260 A N -1.494 121.322 122.820 -0.008 0.000 1.873 260 A HA -0.265 4.055 4.320 0.000 0.000 0.218 260 A C 2.278 179.836 177.584 -0.044 0.000 1.193 260 A CA 2.585 54.587 52.037 -0.059 0.000 0.629 260 A CB -1.341 17.627 19.000 -0.053 0.000 0.826 260 A HN 0.506 nan 8.150 nan 0.000 0.447 261 T N 0.669 115.219 114.554 -0.006 0.000 2.665 261 T HA -0.171 4.179 4.350 0.000 0.000 0.268 261 T C 1.823 176.541 174.700 0.030 0.000 1.035 261 T CA 1.648 63.752 62.100 0.006 0.000 1.151 261 T CB -0.511 68.368 68.868 0.018 0.000 0.862 261 T HN 0.382 nan 8.240 nan 0.000 0.438 262 L N 0.540 121.809 121.223 0.076 0.000 2.012 262 L HA -0.125 4.215 4.340 0.000 0.000 0.210 262 L C 2.730 179.694 176.870 0.156 0.000 1.073 262 L CA 1.097 56.025 54.840 0.147 0.000 0.748 262 L CB -0.881 41.333 42.059 0.257 0.000 0.891 262 L HN 0.145 nan 8.230 nan 0.000 0.431 263 V N -0.539 119.418 119.914 0.071 0.000 2.255 263 V HA -0.283 3.837 4.120 0.000 0.000 0.247 263 V C 2.454 178.521 176.094 -0.046 0.000 1.051 263 V CA 1.768 64.041 62.300 -0.046 0.000 1.018 263 V CB -0.350 31.300 31.823 -0.288 0.000 0.641 263 V HN 0.187 nan 8.190 nan 0.000 0.445 264 V N 0.438 120.308 119.914 -0.072 0.000 2.231 264 V HA -0.363 3.758 4.120 0.000 0.000 0.248 264 V C 2.103 178.187 176.094 -0.016 0.000 1.054 264 V CA 2.799 65.062 62.300 -0.062 0.000 1.015 264 V CB -1.057 30.730 31.823 -0.060 0.000 0.638 264 V HN 0.627 nan 8.190 nan 0.000 0.444 265 N N 0.008 118.712 118.700 0.007 0.000 2.104 265 N HA -0.185 4.555 4.740 0.000 0.000 0.190 265 N C 1.878 177.410 175.510 0.036 0.000 1.024 265 N CA 1.808 54.871 53.050 0.021 0.000 0.853 265 N CB -0.240 38.264 38.487 0.028 0.000 1.008 265 N HN 0.724 nan 8.380 nan 0.000 0.424 266 T N -1.328 113.263 114.554 0.062 0.000 2.995 266 T HA -0.048 4.302 4.350 0.000 0.000 0.269 266 T C 1.672 176.407 174.700 0.058 0.000 1.091 266 T CA 0.619 62.764 62.100 0.075 0.000 1.128 266 T CB -0.090 68.854 68.868 0.128 0.000 0.891 266 T HN 0.134 nan 8.240 nan 0.000 0.492 267 M N 0.232 119.857 119.600 0.040 0.000 2.562 267 M HA 0.228 4.708 4.480 0.000 0.000 0.257 267 M C 1.858 178.165 176.300 0.011 0.000 1.099 267 M CA 0.751 56.065 55.300 0.022 0.000 1.099 267 M CB 0.065 32.661 32.600 -0.008 0.000 1.427 267 M HN 0.130 nan 8.290 nan 0.000 0.489 268 R N -0.957 119.550 120.500 0.011 0.000 2.393 268 R HA 0.239 4.579 4.340 0.000 0.000 0.244 268 R C 1.172 177.479 176.300 0.012 0.000 0.920 268 R CA 0.550 56.654 56.100 0.006 0.000 1.076 268 R CB 0.361 30.662 30.300 0.002 0.000 1.119 268 R HN 0.540 nan 8.270 nan 0.000 0.524 269 G N 1.495 110.307 108.800 0.020 0.000 2.268 269 G HA2 -0.284 3.676 3.960 0.000 0.000 0.240 269 G HA3 -0.284 3.676 3.960 0.000 0.000 0.240 269 G C 0.289 175.203 174.900 0.024 0.000 1.010 269 G CA -0.270 44.843 45.100 0.021 0.000 0.618 269 G HN 0.247 nan 8.290 nan 0.000 0.516 270 I N 2.144 122.727 120.570 0.023 0.000 2.347 270 I HA 0.418 4.588 4.170 0.000 0.000 0.294 270 I C 0.781 176.918 176.117 0.033 0.000 1.090 270 I CA -0.443 60.872 61.300 0.024 0.000 1.314 270 I CB 0.765 38.776 38.000 0.019 0.000 1.423 270 I HN 0.214 nan 8.210 nan 0.000 0.503 271 V N 5.261 125.197 119.914 0.037 0.000 3.480 271 V HA -0.227 3.893 4.120 0.000 0.000 0.494 271 V C 0.109 176.234 176.094 0.053 0.000 0.682 271 V CA 0.360 62.688 62.300 0.046 0.000 2.039 271 V CB -1.005 30.843 31.823 0.042 0.000 2.474 271 V HN 0.812 nan 8.190 nan 0.000 0.505 272 K N 3.940 124.372 120.400 0.053 0.000 2.253 272 K HA 0.719 5.039 4.320 0.000 0.000 0.277 272 K C -0.378 176.245 176.600 0.038 0.000 1.053 272 K CA -0.525 55.793 56.287 0.052 0.000 0.892 272 K CB 1.855 34.380 32.500 0.042 0.000 1.102 272 K HN 0.513 nan 8.250 nan 0.000 0.469 273 V N 1.215 121.150 119.914 0.035 0.000 3.001 273 V HA 0.827 4.947 4.120 0.000 0.000 0.314 273 V C -0.844 175.096 176.094 -0.256 0.000 1.099 273 V CA -1.028 61.248 62.300 -0.040 0.000 0.989 273 V CB 1.940 33.773 31.823 0.018 0.000 1.040 273 V HN 0.857 nan 8.190 nan 0.000 0.434 274 A N 1.576 124.108 122.820 -0.479 0.000 2.540 274 A HA 0.953 5.273 4.320 0.000 0.000 0.297 274 A C -0.820 176.391 177.584 -0.623 0.000 1.056 274 A CA 0.012 51.407 52.037 -1.070 0.000 0.700 274 A CB 1.662 20.314 19.000 -0.579 0.000 1.280 274 A HN 1.759 nan 8.150 nan 0.000 0.398 275 A N 0.902 123.340 122.820 -0.637 0.000 2.413 275 A HA 0.955 5.275 4.320 0.000 0.000 0.307 275 A C -0.372 177.243 177.584 0.051 0.000 1.087 275 A CA -0.109 51.860 52.037 -0.114 0.000 0.750 275 A CB 1.544 20.573 19.000 0.048 0.000 1.296 275 A HN 2.394 nan 8.150 nan 0.000 0.423 276 V N -1.225 118.747 119.914 0.097 0.000 3.087 276 V HA 0.613 4.734 4.120 0.000 0.000 0.306 276 V C -0.624 175.564 176.094 0.156 0.000 1.187 276 V CA -1.234 61.153 62.300 0.145 0.000 0.999 276 V CB 1.452 33.362 31.823 0.145 0.000 1.049 276 V HN 0.905 nan 8.190 nan 0.000 0.431 277 K N 1.771 122.265 120.400 0.156 0.000 2.276 277 K HA 0.661 4.981 4.320 0.000 0.000 0.259 277 K C 0.437 177.126 176.600 0.149 0.000 1.001 277 K CA 0.308 56.676 56.287 0.134 0.000 0.927 277 K CB 1.111 33.681 32.500 0.117 0.000 0.969 277 K HN 1.149 nan 8.250 nan 0.000 0.490 278 A N 3.501 126.367 122.820 0.077 0.000 2.407 278 A HA 0.233 4.553 4.320 0.000 0.000 0.248 278 A C -2.057 175.529 177.584 0.003 0.000 1.082 278 A CA -1.223 50.809 52.037 -0.009 0.000 0.785 278 A CB -0.311 18.671 19.000 -0.029 0.000 1.020 278 A HN 0.464 nan 8.150 nan 0.000 0.489 279 P HA 0.326 nan 4.420 nan 0.000 0.269 279 P C 0.719 178.030 177.300 0.019 0.000 1.209 279 P CA 1.440 64.525 63.100 -0.025 0.000 0.776 279 P CB 0.486 32.044 31.700 -0.236 0.000 0.876 280 G N 2.084 110.949 108.800 0.109 0.000 2.749 280 G HA2 -0.100 3.860 3.960 0.000 0.000 0.242 280 G HA3 -0.100 3.860 3.960 0.000 0.000 0.242 280 G C -0.656 174.384 174.900 0.233 0.000 1.364 280 G CA 0.141 45.337 45.100 0.159 0.000 0.888 280 G HN 0.749 nan 8.290 nan 0.000 0.566 281 F N -2.541 117.423 119.950 0.022 0.000 2.726 281 F HA 0.843 5.370 4.527 0.000 0.000 0.324 281 F C 1.134 176.947 175.800 0.022 0.000 1.140 281 F CA 0.176 58.189 58.000 0.022 0.000 0.964 281 F CB 0.831 39.848 39.000 0.029 0.000 1.399 281 F HN 2.412 nan 8.300 nan 0.000 0.491 282 G N 1.076 109.866 108.800 -0.018 0.000 2.583 282 G HA2 -0.303 3.658 3.960 0.000 0.000 0.292 282 G HA3 -0.303 3.658 3.960 0.000 0.000 0.292 282 G C 0.298 175.117 174.900 -0.135 0.000 1.203 282 G CA 0.708 45.731 45.100 -0.129 0.000 0.987 282 G HN 0.851 nan 8.290 nan 0.000 0.554 283 D N 1.033 121.331 120.400 -0.169 0.000 2.183 283 D HA -0.019 4.621 4.640 0.000 0.000 0.205 283 D C 2.480 178.702 176.300 -0.130 0.000 0.962 283 D CA 1.248 55.179 54.000 -0.114 0.000 0.849 283 D CB -0.208 40.541 40.800 -0.085 0.000 0.978 283 D HN 0.693 nan 8.370 nan 0.000 0.488 284 R N 1.156 121.542 120.500 -0.190 0.000 2.377 284 R HA 0.017 4.357 4.340 0.000 0.000 0.207 284 R C 1.994 178.212 176.300 -0.137 0.000 1.075 284 R CA 0.629 56.631 56.100 -0.163 0.000 1.035 284 R CB -0.235 29.949 30.300 -0.194 0.000 0.857 284 R HN 0.062 nan 8.270 nan 0.000 0.475 285 R N 1.643 122.065 120.500 -0.130 0.000 2.066 285 R HA 0.020 4.360 4.340 0.000 0.000 0.224 285 R C 1.414 177.668 176.300 -0.076 0.000 1.122 285 R CA 0.989 57.039 56.100 -0.084 0.000 0.974 285 R CB 0.066 30.343 30.300 -0.039 0.000 0.871 285 R HN 0.190 nan 8.270 nan 0.000 0.435 286 K N 0.315 120.676 120.400 -0.066 0.000 2.097 286 K HA -0.079 4.241 4.320 0.000 0.000 0.206 286 K C 2.067 178.630 176.600 -0.062 0.000 1.049 286 K CA 1.397 57.651 56.287 -0.054 0.000 0.933 286 K CB -0.090 32.384 32.500 -0.043 0.000 0.717 286 K HN 0.210 nan 8.250 nan 0.000 0.442 287 A N 1.461 124.239 122.820 -0.070 0.000 1.855 287 A HA -0.147 4.173 4.320 0.000 0.000 0.215 287 A C 2.165 179.702 177.584 -0.077 0.000 1.191 287 A CA 1.438 53.434 52.037 -0.068 0.000 0.613 287 A CB -0.464 18.494 19.000 -0.071 0.000 0.829 287 A HN 0.151 nan 8.150 nan 0.000 0.442 288 M N -0.732 118.812 119.600 -0.095 0.000 2.159 288 M HA -0.095 4.385 4.480 0.000 0.000 0.263 288 M C 2.211 178.425 176.300 -0.142 0.000 1.063 288 M CA 1.233 56.463 55.300 -0.118 0.000 1.110 288 M CB -0.463 32.055 32.600 -0.137 0.000 1.374 288 M HN 0.420 nan 8.290 nan 0.000 0.411 289 L N 0.084 121.229 121.223 -0.131 0.000 2.079 289 L HA -0.264 4.076 4.340 0.000 0.000 0.210 289 L C 2.640 179.456 176.870 -0.090 0.000 1.081 289 L CA 1.425 56.190 54.840 -0.126 0.000 0.752 289 L CB -0.272 41.733 42.059 -0.089 0.000 0.896 289 L HN 0.339 nan 8.230 nan 0.000 0.433 290 Q N 0.049 119.807 119.800 -0.071 0.000 2.083 290 Q HA -0.200 4.140 4.340 0.000 0.000 0.198 290 Q C 1.665 177.636 176.000 -0.048 0.000 0.969 290 Q CA 1.762 57.534 55.803 -0.051 0.000 0.838 290 Q CB -0.093 28.619 28.738 -0.043 0.000 0.900 290 Q HN 0.410 nan 8.270 nan 0.000 0.436 291 D N 0.080 120.445 120.400 -0.059 0.000 2.116 291 D HA -0.179 4.461 4.640 0.000 0.000 0.193 291 D C 1.880 178.154 176.300 -0.042 0.000 0.998 291 D CA 1.584 55.555 54.000 -0.048 0.000 0.836 291 D CB -0.281 40.486 40.800 -0.055 0.000 0.951 291 D HN 0.385 nan 8.370 nan 0.000 0.449 292 I N 1.168 121.699 120.570 -0.066 0.000 2.208 292 I HA -0.276 3.894 4.170 0.000 0.000 0.245 292 I C 2.522 178.627 176.117 -0.020 0.000 1.097 292 I CA 1.046 62.317 61.300 -0.048 0.000 1.363 292 I CB -0.350 37.590 38.000 -0.100 0.000 1.051 292 I HN -0.071 nan 8.210 nan 0.000 0.413 293 A N 0.785 123.589 122.820 -0.027 0.000 1.865 293 A HA -0.223 4.097 4.320 0.000 0.000 0.217 293 A C 2.418 180.001 177.584 -0.003 0.000 1.191 293 A CA 2.653 54.684 52.037 -0.010 0.000 0.623 293 A CB -1.216 17.774 19.000 -0.016 0.000 0.826 293 A HN 0.387 nan 8.150 nan 0.000 0.444 294 T N 0.409 114.958 114.554 -0.009 0.000 2.746 294 T HA -0.114 4.236 4.350 0.000 0.000 0.267 294 T C 1.826 176.526 174.700 0.001 0.000 1.039 294 T CA 1.253 63.350 62.100 -0.005 0.000 1.142 294 T CB -0.302 68.559 68.868 -0.010 0.000 0.866 294 T HN 0.298 nan 8.240 nan 0.000 0.444 295 L N 1.949 123.173 121.223 0.001 0.000 2.083 295 L HA -0.059 4.281 4.340 0.000 0.000 0.209 295 L C 2.223 179.102 176.870 0.015 0.000 1.083 295 L CA 2.223 57.068 54.840 0.008 0.000 0.752 295 L CB -1.229 40.837 42.059 0.012 0.000 0.899 295 L HN 0.452 nan 8.230 nan 0.000 0.433 296 T N -4.348 110.217 114.554 0.019 0.000 3.069 296 T HA 0.288 4.638 4.350 0.000 0.000 0.252 296 T C 1.241 175.960 174.700 0.031 0.000 1.053 296 T CA 0.355 62.472 62.100 0.028 0.000 0.964 296 T CB 0.083 68.975 68.868 0.039 0.000 1.005 296 T HN 0.509 nan 8.240 nan 0.000 0.532 297 G N 0.515 109.330 108.800 0.023 0.000 2.198 297 G HA2 -0.004 3.956 3.960 0.000 0.000 0.260 297 G HA3 -0.004 3.956 3.960 0.000 0.000 0.260 297 G C 0.334 175.254 174.900 0.033 0.000 1.025 297 G CA -0.177 44.939 45.100 0.026 0.000 0.769 297 G HN 1.050 nan 8.290 nan 0.000 0.507 298 G N -1.671 107.147 108.800 0.029 0.000 2.552 298 G HA2 0.739 4.699 3.960 0.000 0.000 0.324 298 G HA3 0.739 4.699 3.960 0.000 0.000 0.324 298 G C -0.422 174.485 174.900 0.011 0.000 1.217 298 G CA 0.142 45.260 45.100 0.029 0.000 0.989 298 G HN 0.587 nan 8.290 nan 0.000 0.490 299 T N 0.456 115.014 114.554 0.006 0.000 2.792 299 T HA 0.414 4.765 4.350 0.000 0.000 0.280 299 T C 0.188 174.884 174.700 -0.007 0.000 0.990 299 T CA -0.275 61.824 62.100 -0.003 0.000 0.960 299 T CB 1.593 70.458 68.868 -0.005 0.000 0.939 299 T HN 0.341 nan 8.240 nan 0.000 0.439 300 V N 4.654 124.561 119.914 -0.011 0.000 2.655 300 V HA 0.218 4.338 4.120 0.000 0.000 0.300 300 V C 0.375 176.462 176.094 -0.012 0.000 1.044 300 V CA -0.111 62.180 62.300 -0.015 0.000 1.095 300 V CB 0.367 32.178 31.823 -0.021 0.000 0.952 300 V HN 0.769 nan 8.190 nan 0.000 0.485 301 I N 5.002 125.565 120.570 -0.011 0.000 2.388 301 I HA 0.294 4.464 4.170 0.000 0.000 0.281 301 I C 0.201 176.314 176.117 -0.007 0.000 1.046 301 I CA 0.063 61.357 61.300 -0.009 0.000 1.187 301 I CB 1.048 39.042 38.000 -0.009 0.000 1.351 301 I HN 0.726 nan 8.210 nan 0.000 0.472 302 S N 3.040 118.735 115.700 -0.008 0.000 2.501 302 S HA 0.415 4.885 4.470 0.000 0.000 0.301 302 S C 0.573 175.171 174.600 -0.004 0.000 1.096 302 S CA -0.833 57.364 58.200 -0.006 0.000 1.063 302 S CB 2.257 65.452 63.200 -0.008 0.000 1.042 302 S HN 0.562 nan 8.310 nan 0.000 0.494 303 E N 1.464 121.664 120.200 -0.001 0.000 2.150 303 E HA -0.144 4.207 4.350 0.000 0.000 0.193 303 E C 1.471 178.070 176.600 -0.001 0.000 0.985 303 E CA 1.067 57.467 56.400 0.000 0.000 0.814 303 E CB -0.074 29.628 29.700 0.003 0.000 0.752 303 E HN 0.798 nan 8.360 nan 0.000 0.466 304 E N 0.944 121.143 120.200 -0.001 0.000 2.048 304 E HA -0.224 4.127 4.350 0.000 0.000 0.202 304 E C 2.028 178.627 176.600 -0.003 0.000 1.021 304 E CA 1.212 57.611 56.400 -0.001 0.000 0.825 304 E CB -0.258 29.441 29.700 -0.003 0.000 0.756 304 E HN 0.301 nan 8.360 nan 0.000 0.454 305 I N -0.022 120.545 120.570 -0.004 0.000 3.083 305 I HA -0.084 4.086 4.170 0.000 0.000 0.273 305 I C 1.342 177.456 176.117 -0.004 0.000 1.297 305 I CA 0.751 62.048 61.300 -0.005 0.000 1.452 305 I CB -0.352 37.644 38.000 -0.007 0.000 1.078 305 I HN 0.353 nan 8.210 nan 0.000 0.484 306 G N 1.068 109.866 108.800 -0.003 0.000 2.130 306 G HA2 -0.248 3.712 3.960 0.000 0.000 0.216 306 G HA3 -0.248 3.712 3.960 0.000 0.000 0.216 306 G C 0.200 175.098 174.900 -0.004 0.000 0.999 306 G CA -0.356 44.742 45.100 -0.003 0.000 0.686 306 G HN 0.238 nan 8.290 nan 0.000 0.515 307 M N 0.183 119.780 119.600 -0.005 0.000 2.288 307 M HA 0.534 5.014 4.480 0.000 0.000 0.334 307 M C 0.412 176.709 176.300 -0.006 0.000 1.150 307 M CA 0.184 55.480 55.300 -0.006 0.000 1.118 307 M CB 0.890 33.485 32.600 -0.008 0.000 1.501 307 M HN 0.244 nan 8.290 nan 0.000 0.462 308 E N 1.223 121.418 120.200 -0.007 0.000 2.256 308 E HA 0.302 4.652 4.350 0.000 0.000 0.267 308 E C 0.121 176.715 176.600 -0.009 0.000 0.892 308 E CA -0.551 55.845 56.400 -0.006 0.000 0.775 308 E CB 2.243 31.939 29.700 -0.006 0.000 1.207 308 E HN 0.630 nan 8.360 nan 0.000 0.420 309 L N 1.428 122.647 121.223 -0.008 0.000 2.093 309 L HA -0.166 4.174 4.340 0.000 0.000 0.208 309 L C 1.664 178.525 176.870 -0.015 0.000 1.085 309 L CA 1.241 56.074 54.840 -0.011 0.000 0.755 309 L CB -0.194 41.862 42.059 -0.006 0.000 0.904 309 L HN 0.563 nan 8.230 nan 0.000 0.435 310 E N 0.411 120.604 120.200 -0.012 0.000 2.160 310 E HA -0.187 4.163 4.350 0.000 0.000 0.195 310 E C 1.443 178.032 176.600 -0.018 0.000 0.991 310 E CA 1.014 57.406 56.400 -0.013 0.000 0.810 310 E CB -0.050 29.645 29.700 -0.009 0.000 0.742 310 E HN 0.343 nan 8.360 nan 0.000 0.466 311 K N 0.240 120.630 120.400 -0.017 0.000 2.469 311 K HA 0.318 4.638 4.320 0.000 0.000 0.201 311 K C -0.179 176.405 176.600 -0.026 0.000 1.028 311 K CA -0.061 56.214 56.287 -0.019 0.000 1.170 311 K CB 0.838 33.329 32.500 -0.015 0.000 0.874 311 K HN -0.001 nan 8.250 nan 0.000 0.507 312 A N 1.931 124.732 122.820 -0.031 0.000 2.320 312 A HA 0.283 4.603 4.320 0.000 0.000 0.287 312 A C 0.435 177.983 177.584 -0.060 0.000 1.181 312 A CA -0.403 51.609 52.037 -0.041 0.000 0.831 312 A CB 0.299 19.275 19.000 -0.040 0.000 1.102 312 A HN 0.244 nan 8.150 nan 0.000 0.513 313 T N 0.157 114.670 114.554 -0.067 0.000 2.948 313 T HA 0.511 4.861 4.350 0.000 0.000 0.285 313 T C 1.166 175.782 174.700 -0.140 0.000 1.019 313 T CA -0.767 61.279 62.100 -0.090 0.000 1.013 313 T CB 0.580 69.409 68.868 -0.065 0.000 1.117 313 T HN 0.354 nan 8.240 nan 0.000 0.533 314 L N -0.022 121.081 121.223 -0.200 0.000 2.129 314 L HA -0.099 4.241 4.340 0.000 0.000 0.212 314 L C 2.875 179.632 176.870 -0.188 0.000 1.087 314 L CA 1.726 56.357 54.840 -0.348 0.000 0.757 314 L CB -0.568 41.258 42.059 -0.389 0.000 0.896 314 L HN 0.873 nan 8.230 nan 0.000 0.434 315 E N -0.023 120.125 120.200 -0.086 0.000 2.338 315 E HA -0.209 4.142 4.350 0.000 0.000 0.197 315 E C 1.335 177.925 176.600 -0.017 0.000 1.007 315 E CA 0.816 57.202 56.400 -0.024 0.000 0.849 315 E CB 0.192 29.884 29.700 -0.014 0.000 0.774 315 E HN 0.475 nan 8.360 nan 0.000 0.506 316 D N -0.108 120.267 120.400 -0.041 0.000 2.289 316 D HA -0.040 4.600 4.640 0.000 0.000 0.207 316 D C 0.057 176.349 176.300 -0.012 0.000 0.966 316 D CA 0.247 54.231 54.000 -0.025 0.000 0.868 316 D CB 0.243 41.022 40.800 -0.035 0.000 0.943 316 D HN 0.122 nan 8.370 nan 0.000 0.514 317 L N 1.016 122.223 121.223 -0.027 0.000 2.426 317 L HA 0.266 4.606 4.340 0.000 0.000 0.271 317 L C 1.507 178.448 176.870 0.119 0.000 1.169 317 L CA 0.017 54.872 54.840 0.025 0.000 0.836 317 L CB 0.740 42.767 42.059 -0.053 0.000 1.112 317 L HN -0.155 nan 8.230 nan 0.000 0.465 318 G N 1.594 110.466 108.800 0.119 0.000 2.516 318 G HA2 0.455 4.415 3.960 0.000 0.000 0.276 318 G HA3 0.455 4.415 3.960 0.000 0.000 0.276 318 G C -0.835 174.161 174.900 0.159 0.000 1.390 318 G CA -0.150 45.016 45.100 0.110 0.000 1.050 318 G HN 0.577 nan 8.290 nan 0.000 0.519 319 Q N -2.611 117.240 119.800 0.085 0.000 2.503 319 Q HA 0.535 4.875 4.340 0.000 0.000 0.268 319 Q C -1.319 174.679 176.000 -0.003 0.000 0.982 319 Q CA -0.506 55.314 55.803 0.028 0.000 0.907 319 Q CB 1.874 30.620 28.738 0.013 0.000 1.467 319 Q HN 1.115 nan 8.270 nan 0.000 0.394 320 A N 2.023 124.822 122.820 -0.035 0.000 2.606 320 A HA 0.482 4.802 4.320 0.000 0.000 0.293 320 A C -0.741 176.814 177.584 -0.049 0.000 1.082 320 A CA -0.626 51.396 52.037 -0.026 0.000 0.685 320 A CB 1.566 20.566 19.000 -0.000 0.000 1.284 320 A HN 0.767 nan 8.150 nan 0.000 0.408 321 K N -0.484 119.894 120.400 -0.037 0.000 2.228 321 K HA 0.056 4.376 4.320 0.000 0.000 0.202 321 K C 0.648 177.226 176.600 -0.038 0.000 1.051 321 K CA 1.144 57.405 56.287 -0.043 0.000 0.960 321 K CB 0.200 32.681 32.500 -0.032 0.000 0.743 321 K HN 0.541 nan 8.250 nan 0.000 0.458 322 R N 0.097 120.581 120.500 -0.026 0.000 2.644 322 R HA 0.162 4.503 4.340 0.000 0.000 0.257 322 R C -1.972 174.321 176.300 -0.013 0.000 1.082 322 R CA -0.566 55.521 56.100 -0.021 0.000 0.927 322 R CB 1.679 31.968 30.300 -0.018 0.000 1.258 322 R HN -0.048 nan 8.270 nan 0.000 0.459 323 V N 0.762 120.669 119.914 -0.012 0.000 2.735 323 V HA 0.866 4.986 4.120 0.000 0.000 0.310 323 V C -1.373 174.713 176.094 -0.015 0.000 1.061 323 V CA -0.602 61.692 62.300 -0.010 0.000 0.913 323 V CB 2.185 34.007 31.823 -0.002 0.000 1.005 323 V HN 0.441 nan 8.190 nan 0.000 0.428 324 V N 5.754 125.653 119.914 -0.026 0.000 2.525 324 V HA 0.561 4.681 4.120 0.000 0.000 0.299 324 V C -0.318 175.754 176.094 -0.036 0.000 1.034 324 V CA -0.275 62.014 62.300 -0.018 0.000 0.863 324 V CB 1.570 33.384 31.823 -0.015 0.000 0.999 324 V HN 0.865 nan 8.190 nan 0.000 0.423 325 I N 4.441 125.014 120.570 0.004 0.000 2.404 325 I HA 0.508 4.678 4.170 0.000 0.000 0.293 325 I C 0.106 176.260 176.117 0.063 0.000 0.992 325 I CA -0.404 60.900 61.300 0.007 0.000 1.149 325 I CB 1.765 39.808 38.000 0.072 0.000 1.315 325 I HN 0.510 nan 8.210 nan 0.000 0.446 326 N N 3.697 122.359 118.700 -0.064 0.000 2.725 326 N HA 0.238 4.979 4.740 0.000 0.000 0.312 326 N C 0.763 175.991 175.510 -0.470 0.000 1.295 326 N CA -0.524 52.462 53.050 -0.106 0.000 0.914 326 N CB 1.283 39.701 38.487 -0.116 0.000 1.177 326 N HN 0.546 nan 8.380 nan 0.000 0.601 327 K N -0.109 120.048 120.400 -0.404 0.000 2.283 327 K HA -0.122 4.198 4.320 0.000 0.000 0.202 327 K C -0.642 175.631 176.600 -0.546 0.000 1.048 327 K CA 1.718 57.627 56.287 -0.630 0.000 0.948 327 K CB 0.026 32.418 32.500 -0.181 0.000 0.742 327 K HN 0.609 nan 8.250 nan 0.000 0.458 328 D N -1.372 118.822 120.400 -0.343 0.000 3.285 328 D HA 0.106 4.746 4.640 0.000 0.000 0.314 328 D C -0.886 175.309 176.300 -0.175 0.000 1.601 328 D CA -0.494 53.370 54.000 -0.227 0.000 0.772 328 D CB 0.480 41.195 40.800 -0.142 0.000 1.312 328 D HN -0.116 nan 8.370 nan 0.000 0.550 329 T N -0.411 114.014 114.554 -0.214 0.000 3.012 329 T HA 0.611 4.961 4.350 0.000 0.000 0.330 329 T C -1.480 173.042 174.700 -0.297 0.000 1.321 329 T CA -0.335 61.633 62.100 -0.220 0.000 1.067 329 T CB 1.997 70.779 68.868 -0.142 0.000 1.235 329 T HN -0.027 nan 8.240 nan 0.000 0.479 330 T N 2.154 116.403 114.554 -0.509 0.000 2.879 330 T HA 0.631 4.981 4.350 0.000 0.000 0.290 330 T C -0.760 173.613 174.700 -0.545 0.000 0.993 330 T CA -0.544 61.198 62.100 -0.597 0.000 0.975 330 T CB 1.617 69.891 68.868 -0.991 0.000 0.981 330 T HN 0.594 nan 8.240 nan 0.000 0.439 331 T N 3.755 118.159 114.554 -0.251 0.000 2.840 331 T HA 0.634 4.984 4.350 0.000 0.000 0.287 331 T C -0.598 174.079 174.700 -0.038 0.000 0.991 331 T CA -0.669 61.359 62.100 -0.119 0.000 0.964 331 T CB 0.139 68.961 68.868 -0.076 0.000 0.954 331 T HN 0.491 nan 8.240 nan 0.000 0.438 332 I N 6.383 126.969 120.570 0.028 0.000 2.304 332 I HA 0.412 4.582 4.170 0.000 0.000 0.291 332 I C -0.149 175.985 176.117 0.028 0.000 1.018 332 I CA -0.704 60.625 61.300 0.049 0.000 1.260 332 I CB 1.098 39.160 38.000 0.104 0.000 1.390 332 I HN 0.555 nan 8.210 nan 0.000 0.475 333 I N 5.962 126.538 120.570 0.011 0.000 2.362 333 I HA 0.258 4.428 4.170 0.000 0.000 0.289 333 I C -0.396 175.721 176.117 -0.000 0.000 0.994 333 I CA -0.444 60.858 61.300 0.003 0.000 1.158 333 I CB 1.168 39.164 38.000 -0.006 0.000 1.315 333 I HN 0.561 nan 8.210 nan 0.000 0.451 334 D N 5.023 125.423 120.400 0.001 0.000 3.187 334 D HA -0.109 4.531 4.640 0.000 0.000 0.244 334 D C 0.166 176.465 176.300 -0.001 0.000 1.114 334 D CA 0.814 54.813 54.000 -0.002 0.000 0.920 334 D CB -0.235 40.559 40.800 -0.009 0.000 0.970 334 D HN 0.843 nan 8.370 nan 0.000 0.418 335 G N 0.287 109.091 108.800 0.007 0.000 2.467 335 G HA2 0.383 4.343 3.960 0.000 0.000 0.257 335 G HA3 0.383 4.343 3.960 0.000 0.000 0.257 335 G C 1.429 176.332 174.900 0.005 0.000 1.227 335 G CA -0.277 44.829 45.100 0.010 0.000 0.835 335 G HN 0.275 nan 8.290 nan 0.000 0.556 336 V N 2.250 122.167 119.914 0.006 0.000 2.871 336 V HA 0.045 4.165 4.120 0.000 0.000 0.256 336 V C 2.227 178.327 176.094 0.010 0.000 1.082 336 V CA 0.907 63.211 62.300 0.005 0.000 1.105 336 V CB -1.125 30.703 31.823 0.008 0.000 0.713 336 V HN 0.886 nan 8.190 nan 0.000 0.473 337 G N 1.359 110.166 108.800 0.013 0.000 2.238 337 G HA2 -0.058 3.902 3.960 0.000 0.000 0.234 337 G HA3 -0.058 3.902 3.960 0.000 0.000 0.234 337 G C -0.002 174.902 174.900 0.007 0.000 1.181 337 G CA -0.106 45.001 45.100 0.011 0.000 0.871 337 G HN 0.312 nan 8.290 nan 0.000 0.490 338 E N 1.553 121.756 120.200 0.006 0.000 2.384 338 E HA 0.014 4.364 4.350 0.000 0.000 0.266 338 E C 1.433 178.034 176.600 0.002 0.000 1.012 338 E CA -0.233 56.169 56.400 0.004 0.000 0.901 338 E CB 0.952 30.654 29.700 0.004 0.000 0.967 338 E HN 0.622 nan 8.360 nan 0.000 0.435 339 E N 2.002 122.203 120.200 0.001 0.000 2.209 339 E HA -0.217 4.133 4.350 0.000 0.000 0.196 339 E C 1.574 178.173 176.600 -0.001 0.000 0.993 339 E CA 1.170 57.571 56.400 0.000 0.000 0.819 339 E CB 0.116 29.816 29.700 -0.000 0.000 0.745 339 E HN 0.546 nan 8.360 nan 0.000 0.477 340 A N 1.438 124.258 122.820 -0.001 0.000 1.877 340 A HA -0.090 4.230 4.320 0.000 0.000 0.216 340 A C 2.407 179.990 177.584 -0.002 0.000 1.186 340 A CA 1.888 53.925 52.037 -0.001 0.000 0.620 340 A CB -0.485 18.514 19.000 -0.001 0.000 0.822 340 A HN 0.284 nan 8.150 nan 0.000 0.443 341 A N -0.256 122.563 122.820 -0.001 0.000 1.897 341 A HA 0.018 4.338 4.320 0.000 0.000 0.215 341 A C 2.137 179.719 177.584 -0.004 0.000 1.181 341 A CA 1.342 53.378 52.037 -0.002 0.000 0.620 341 A CB -0.547 18.452 19.000 -0.001 0.000 0.821 341 A HN 0.479 nan 8.150 nan 0.000 0.443 342 I N -0.916 119.653 120.570 -0.003 0.000 2.142 342 I HA -0.267 3.903 4.170 0.000 0.000 0.240 342 I C 2.769 178.883 176.117 -0.005 0.000 1.078 342 I CA 1.784 63.082 61.300 -0.003 0.000 1.343 342 I CB -0.348 37.651 38.000 -0.001 0.000 1.046 342 I HN 0.325 nan 8.210 nan 0.000 0.405 343 Q N 1.256 121.054 119.800 -0.004 0.000 2.181 343 Q HA -0.136 4.204 4.340 0.000 0.000 0.205 343 Q C 2.023 178.019 176.000 -0.006 0.000 0.980 343 Q CA 1.990 57.790 55.803 -0.005 0.000 0.862 343 Q CB -0.725 28.011 28.738 -0.004 0.000 0.905 343 Q HN 0.516 nan 8.270 nan 0.000 0.429 344 G N -0.337 108.459 108.800 -0.006 0.000 2.403 344 G HA2 -0.274 3.686 3.960 0.000 0.000 0.216 344 G HA3 -0.274 3.686 3.960 0.000 0.000 0.216 344 G C 1.555 176.449 174.900 -0.009 0.000 1.154 344 G CA 0.727 45.823 45.100 -0.007 0.000 0.784 344 G HN 0.341 nan 8.290 nan 0.000 0.538 345 R N 0.415 120.909 120.500 -0.010 0.000 2.081 345 R HA -0.026 4.315 4.340 0.000 0.000 0.235 345 R C 2.506 178.798 176.300 -0.014 0.000 1.131 345 R CA 1.549 57.642 56.100 -0.013 0.000 0.960 345 R CB -0.871 29.421 30.300 -0.013 0.000 0.856 345 R HN 0.200 nan 8.270 nan 0.000 0.436 346 V N 0.905 120.812 119.914 -0.012 0.000 2.407 346 V HA -0.220 3.900 4.120 0.000 0.000 0.248 346 V C 2.388 178.475 176.094 -0.013 0.000 1.055 346 V CA 1.879 64.171 62.300 -0.013 0.000 1.049 346 V CB -1.026 30.791 31.823 -0.010 0.000 0.662 346 V HN 0.556 nan 8.190 nan 0.000 0.455 347 A N -0.515 122.298 122.820 -0.011 0.000 1.883 347 A HA -0.311 4.009 4.320 0.000 0.000 0.217 347 A C 2.192 179.769 177.584 -0.013 0.000 1.186 347 A CA 2.093 54.124 52.037 -0.011 0.000 0.624 347 A CB -0.540 18.455 19.000 -0.009 0.000 0.822 347 A HN 0.626 nan 8.150 nan 0.000 0.444 348 Q N -0.506 119.286 119.800 -0.014 0.000 2.096 348 Q HA -0.156 4.184 4.340 0.000 0.000 0.204 348 Q C 2.044 178.032 176.000 -0.019 0.000 0.982 348 Q CA 1.718 57.512 55.803 -0.015 0.000 0.850 348 Q CB -0.408 28.320 28.738 -0.016 0.000 0.901 348 Q HN 0.774 nan 8.270 nan 0.000 0.422 349 I N 0.077 120.634 120.570 -0.021 0.000 2.394 349 I HA -0.224 3.946 4.170 0.000 0.000 0.251 349 I C 2.264 178.367 176.117 -0.024 0.000 1.136 349 I CA 0.934 62.218 61.300 -0.026 0.000 1.425 349 I CB -0.229 37.754 38.000 -0.029 0.000 1.079 349 I HN 0.108 nan 8.210 nan 0.000 0.425 350 R N 0.365 120.853 120.500 -0.019 0.000 2.189 350 R HA -0.107 4.234 4.340 0.000 0.000 0.223 350 R C 2.251 178.542 176.300 -0.016 0.000 1.092 350 R CA 0.913 57.003 56.100 -0.017 0.000 0.989 350 R CB -0.032 30.260 30.300 -0.014 0.000 0.876 350 R HN 0.474 nan 8.270 nan 0.000 0.457 351 Q N -0.338 119.453 119.800 -0.015 0.000 2.212 351 Q HA -0.087 4.254 4.340 0.000 0.000 0.199 351 Q C 1.944 177.936 176.000 -0.015 0.000 0.950 351 Q CA 0.697 56.492 55.803 -0.013 0.000 0.863 351 Q CB 0.277 29.008 28.738 -0.012 0.000 0.944 351 Q HN 0.341 nan 8.270 nan 0.000 0.465 352 Q N 0.597 120.386 119.800 -0.019 0.000 2.096 352 Q HA -0.172 4.168 4.340 0.000 0.000 0.204 352 Q C 2.108 178.095 176.000 -0.022 0.000 0.982 352 Q CA 1.198 56.988 55.803 -0.021 0.000 0.850 352 Q CB -0.294 28.427 28.738 -0.029 0.000 0.901 352 Q HN 0.483 nan 8.270 nan 0.000 0.422 353 I N 1.112 121.668 120.570 -0.023 0.000 2.454 353 I HA -0.240 3.931 4.170 0.000 0.000 0.254 353 I C 2.156 178.264 176.117 -0.015 0.000 1.156 353 I CA 0.899 62.186 61.300 -0.022 0.000 1.433 353 I CB -0.266 37.721 38.000 -0.023 0.000 1.082 353 I HN 0.152 nan 8.210 nan 0.000 0.432 354 E N 1.236 121.429 120.200 -0.012 0.000 2.016 354 E HA -0.169 4.181 4.350 0.000 0.000 0.190 354 E C 1.801 178.397 176.600 -0.007 0.000 0.985 354 E CA 1.114 57.509 56.400 -0.008 0.000 0.802 354 E CB -0.409 29.287 29.700 -0.008 0.000 0.762 354 E HN 0.566 nan 8.360 nan 0.000 0.448 355 E N 1.218 121.414 120.200 -0.008 0.000 2.515 355 E HA 0.071 4.421 4.350 0.000 0.000 0.201 355 E C 0.251 176.848 176.600 -0.005 0.000 1.071 355 E CA 0.043 56.439 56.400 -0.006 0.000 0.880 355 E CB -0.018 29.678 29.700 -0.007 0.000 0.828 355 E HN 0.088 nan 8.360 nan 0.000 0.540 356 A N 1.776 124.593 122.820 -0.006 0.000 2.491 356 A HA 0.063 4.383 4.320 0.000 0.000 0.261 356 A C 1.023 178.610 177.584 0.004 0.000 1.101 356 A CA 0.098 52.133 52.037 -0.004 0.000 0.772 356 A CB -0.109 18.885 19.000 -0.010 0.000 1.043 356 A HN 0.193 nan 8.150 nan 0.000 0.501 357 T N -0.358 114.202 114.554 0.010 0.000 3.258 357 T HA 0.495 4.845 4.350 0.000 0.000 0.263 357 T C 0.148 174.862 174.700 0.025 0.000 0.983 357 T CA 0.228 62.336 62.100 0.015 0.000 0.907 357 T CB -0.555 68.321 68.868 0.013 0.000 1.096 357 T HN 1.063 nan 8.240 nan 0.000 0.556 358 S N -0.863 114.855 115.700 0.030 0.000 2.567 358 S HA 0.337 4.808 4.470 0.000 0.000 0.270 358 S C -0.617 174.014 174.600 0.051 0.000 1.152 358 S CA -0.616 57.615 58.200 0.051 0.000 0.835 358 S CB 1.355 64.603 63.200 0.081 0.000 1.115 358 S HN 0.085 nan 8.310 nan 0.000 0.459 359 D N 1.021 121.463 120.400 0.070 0.000 2.162 359 D HA -0.003 4.637 4.640 0.000 0.000 0.205 359 D C 1.375 177.724 176.300 0.081 0.000 0.964 359 D CA 1.124 55.161 54.000 0.062 0.000 0.847 359 D CB -0.242 40.596 40.800 0.063 0.000 0.988 359 D HN 0.607 nan 8.370 nan 0.000 0.480 360 Y N 2.562 122.864 120.300 0.003 0.000 2.049 360 Y HA -0.237 4.313 4.550 0.000 0.000 0.277 360 Y C 1.524 177.423 175.900 -0.003 0.000 1.143 360 Y CA 2.017 60.120 58.100 0.004 0.000 1.115 360 Y CB -0.483 37.981 38.460 0.006 0.000 0.975 360 Y HN -0.161 nan 8.280 nan 0.000 0.487 361 D N -0.388 120.000 120.400 -0.020 0.000 2.190 361 D HA -0.200 4.440 4.640 0.000 0.000 0.200 361 D C 2.208 178.425 176.300 -0.138 0.000 0.992 361 D CA 1.611 55.541 54.000 -0.116 0.000 0.854 361 D CB -0.275 40.532 40.800 0.011 0.000 0.936 361 D HN 0.341 nan 8.370 nan 0.000 0.462 362 R N 0.410 120.861 120.500 -0.082 0.000 2.062 362 R HA -0.095 4.245 4.340 0.000 0.000 0.229 362 R C 1.682 177.925 176.300 -0.094 0.000 1.128 362 R CA 0.935 56.996 56.100 -0.065 0.000 0.960 362 R CB 0.167 30.451 30.300 -0.026 0.000 0.855 362 R HN 0.040 nan 8.270 nan 0.000 0.432 363 E N 0.831 120.960 120.200 -0.118 0.000 2.110 363 E HA -0.177 4.173 4.350 0.000 0.000 0.193 363 E C 1.811 178.313 176.600 -0.164 0.000 0.988 363 E CA 0.996 57.326 56.400 -0.117 0.000 0.804 363 E CB -0.044 29.600 29.700 -0.094 0.000 0.745 363 E HN 0.198 nan 8.360 nan 0.000 0.458 364 K N 0.598 120.829 120.400 -0.282 0.000 2.097 364 K HA -0.005 4.315 4.320 0.000 0.000 0.205 364 K C 2.375 178.880 176.600 -0.157 0.000 1.050 364 K CA 0.484 56.612 56.287 -0.265 0.000 0.938 364 K CB -0.385 31.871 32.500 -0.407 0.000 0.718 364 K HN 0.200 nan 8.250 nan 0.000 0.442 365 L N 0.903 122.045 121.223 -0.134 0.000 2.109 365 L HA -0.153 4.187 4.340 0.000 0.000 0.207 365 L C 2.529 179.360 176.870 -0.065 0.000 1.086 365 L CA 1.064 55.851 54.840 -0.088 0.000 0.760 365 L CB -0.327 41.689 42.059 -0.073 0.000 0.910 365 L HN 0.204 nan 8.230 nan 0.000 0.437 366 Q N -0.146 119.616 119.800 -0.063 0.000 2.124 366 Q HA -0.221 4.119 4.340 0.000 0.000 0.202 366 Q C 2.065 178.043 176.000 -0.037 0.000 0.977 366 Q CA 1.365 57.142 55.803 -0.042 0.000 0.850 366 Q CB -0.079 28.637 28.738 -0.037 0.000 0.901 366 Q HN 0.528 nan 8.270 nan 0.000 0.429 367 E N 0.558 120.730 120.200 -0.046 0.000 2.085 367 E HA -0.192 4.158 4.350 0.000 0.000 0.194 367 E C 2.100 178.685 176.600 -0.025 0.000 0.994 367 E CA 0.853 57.234 56.400 -0.032 0.000 0.801 367 E CB -0.009 29.667 29.700 -0.039 0.000 0.743 367 E HN 0.267 nan 8.360 nan 0.000 0.453 368 R N 0.390 120.867 120.500 -0.038 0.000 2.073 368 R HA -0.127 4.213 4.340 0.000 0.000 0.234 368 R C 2.725 179.011 176.300 -0.023 0.000 1.134 368 R CA 1.639 57.719 56.100 -0.033 0.000 0.952 368 R CB -0.665 29.606 30.300 -0.047 0.000 0.850 368 R HN 0.223 nan 8.270 nan 0.000 0.433 369 V N -1.373 118.527 119.914 -0.024 0.000 2.358 369 V HA -0.085 4.035 4.120 0.000 0.000 0.246 369 V C 2.387 178.475 176.094 -0.010 0.000 1.047 369 V CA 1.687 63.976 62.300 -0.017 0.000 1.035 369 V CB -1.076 30.736 31.823 -0.019 0.000 0.658 369 V HN 0.233 nan 8.190 nan 0.000 0.452 370 A N 0.600 123.415 122.820 -0.009 0.000 1.917 370 A HA -0.240 4.081 4.320 0.000 0.000 0.219 370 A C 2.346 179.933 177.584 0.004 0.000 1.182 370 A CA 2.462 54.497 52.037 -0.003 0.000 0.633 370 A CB -0.619 18.380 19.000 -0.002 0.000 0.819 370 A HN 0.642 nan 8.150 nan 0.000 0.448 371 K N -1.271 119.133 120.400 0.007 0.000 2.001 371 K HA -0.052 4.268 4.320 0.000 0.000 0.208 371 K C 1.926 178.535 176.600 0.015 0.000 1.048 371 K CA 1.290 57.588 56.287 0.019 0.000 0.932 371 K CB -0.331 32.186 32.500 0.028 0.000 0.715 371 K HN 0.330 nan 8.250 nan 0.000 0.437 372 L N 0.703 121.930 121.223 0.006 0.000 2.056 372 L HA -0.094 4.247 4.340 0.000 0.000 0.207 372 L C 2.093 178.964 176.870 0.002 0.000 1.078 372 L CA 1.740 56.581 54.840 0.003 0.000 0.749 372 L CB -0.603 41.453 42.059 -0.006 0.000 0.901 372 L HN 0.148 nan 8.230 nan 0.000 0.433 373 A N -1.428 121.392 122.820 -0.000 0.000 1.935 373 A HA 0.139 4.459 4.320 0.000 0.000 0.214 373 A C 2.287 179.871 177.584 0.001 0.000 1.178 373 A CA 0.889 52.925 52.037 -0.001 0.000 0.640 373 A CB -1.153 17.844 19.000 -0.004 0.000 0.825 373 A HN 0.436 nan 8.150 nan 0.000 0.447 374 G N -0.601 108.201 108.800 0.003 0.000 2.432 374 G HA2 0.312 4.272 3.960 0.000 0.000 0.219 374 G HA3 0.312 4.272 3.960 0.000 0.000 0.219 374 G C 1.218 176.121 174.900 0.004 0.000 1.135 374 G CA 0.877 45.979 45.100 0.003 0.000 0.767 374 G HN 1.676 nan 8.290 nan 0.000 0.550 375 G N -1.788 107.016 108.800 0.007 0.000 2.645 375 G HA2 0.003 3.963 3.960 0.000 0.000 0.239 375 G HA3 0.003 3.963 3.960 0.000 0.000 0.239 375 G C -0.651 174.253 174.900 0.007 0.000 1.331 375 G CA -0.206 44.898 45.100 0.007 0.000 0.890 375 G HN 1.089 nan 8.290 nan 0.000 0.572 376 V N 0.265 120.181 119.914 0.003 0.000 2.668 376 V HA 0.700 4.820 4.120 0.000 0.000 0.304 376 V C 0.635 176.725 176.094 -0.005 0.000 1.071 376 V CA -0.065 62.235 62.300 -0.000 0.000 0.894 376 V CB 1.409 33.233 31.823 0.002 0.000 1.008 376 V HN 2.148 nan 8.190 nan 0.000 0.425 377 A N 4.673 127.487 122.820 -0.009 0.000 2.362 377 A HA 0.691 5.011 4.320 0.000 0.000 0.276 377 A C -0.393 177.181 177.584 -0.016 0.000 1.153 377 A CA -0.218 51.811 52.037 -0.013 0.000 0.813 377 A CB 0.532 19.523 19.000 -0.015 0.000 1.081 377 A HN 0.779 nan 8.150 nan 0.000 0.507 378 V N 5.231 125.136 119.914 -0.015 0.000 2.334 378 V HA 0.275 4.395 4.120 0.000 0.000 0.281 378 V C -0.096 175.988 176.094 -0.018 0.000 1.016 378 V CA -0.137 62.153 62.300 -0.017 0.000 0.832 378 V CB 0.962 32.776 31.823 -0.014 0.000 0.999 378 V HN 0.737 nan 8.190 nan 0.000 0.439 379 I N 5.244 125.801 120.570 -0.022 0.000 2.315 379 I HA 0.369 4.539 4.170 0.000 0.000 0.291 379 I C 0.277 176.382 176.117 -0.019 0.000 1.006 379 I CA -0.381 60.906 61.300 -0.021 0.000 1.265 379 I CB 1.044 39.029 38.000 -0.026 0.000 1.387 379 I HN 0.483 nan 8.210 nan 0.000 0.475 380 K N 6.172 126.563 120.400 -0.015 0.000 2.299 380 K HA 0.374 4.695 4.320 0.000 0.000 0.268 380 K C -0.628 175.965 176.600 -0.012 0.000 1.075 380 K CA -0.631 55.648 56.287 -0.013 0.000 0.936 380 K CB 1.630 34.124 32.500 -0.011 0.000 1.228 380 K HN 0.339 nan 8.250 nan 0.000 0.454 381 V N 2.963 122.870 119.914 -0.012 0.000 2.720 381 V HA -0.076 4.044 4.120 0.000 0.000 0.307 381 V C 1.528 177.617 176.094 -0.008 0.000 1.071 381 V CA 0.391 62.685 62.300 -0.011 0.000 1.199 381 V CB 0.507 32.324 31.823 -0.010 0.000 0.900 381 V HN 0.952 nan 8.190 nan 0.000 0.494 382 G N 2.940 111.735 108.800 -0.008 0.000 2.413 382 G HA2 0.435 4.395 3.960 0.000 0.000 0.300 382 G HA3 0.435 4.395 3.960 0.000 0.000 0.300 382 G C 0.296 175.192 174.900 -0.006 0.000 1.370 382 G CA 0.534 45.630 45.100 -0.007 0.000 1.110 382 G HN 1.284 nan 8.290 nan 0.000 0.596 383 A N -3.040 119.777 122.820 -0.005 0.000 3.117 383 A HA 0.843 5.163 4.320 0.000 0.000 0.158 383 A C 0.394 177.976 177.584 -0.004 0.000 1.138 383 A CA 0.968 53.003 52.037 -0.004 0.000 2.059 383 A CB -0.435 18.563 19.000 -0.004 0.000 2.607 383 A HN 2.621 nan 8.150 nan 0.000 1.059 384 A N -0.483 122.335 122.820 -0.003 0.000 2.419 384 A HA 0.551 4.871 4.320 0.000 0.000 0.262 384 A C 1.033 178.616 177.584 -0.002 0.000 1.352 384 A CA 1.290 53.325 52.037 -0.003 0.000 0.709 384 A CB -2.626 16.373 19.000 -0.003 0.000 1.150 384 A HN 3.520 nan 8.150 nan 0.000 0.329 385 T N -1.634 112.918 114.554 -0.002 0.000 0.552 385 T HA -0.082 4.268 4.350 0.000 0.000 0.773 385 T C 0.319 175.018 174.700 -0.002 0.000 0.992 385 T CA 1.484 63.583 62.100 -0.002 0.000 4.070 385 T CB -1.220 67.647 68.868 -0.001 0.000 2.299 385 T HN 1.988 nan 8.240 nan 0.000 0.397 386 E N 1.470 121.669 120.200 -0.001 0.000 2.171 386 E HA -0.139 4.212 4.350 0.000 0.000 0.197 386 E C 1.980 178.580 176.600 -0.000 0.000 0.997 386 E CA 2.104 58.503 56.400 -0.001 0.000 0.810 386 E CB -0.102 29.597 29.700 -0.001 0.000 0.738 386 E HN 0.679 nan 8.360 nan 0.000 0.467 387 V N 1.011 120.924 119.914 -0.000 0.000 2.283 387 V HA -0.225 3.895 4.120 0.000 0.000 0.243 387 V C 2.105 178.199 176.094 -0.000 0.000 1.039 387 V CA 2.111 64.411 62.300 0.000 0.000 1.016 387 V CB -0.621 31.202 31.823 0.000 0.000 0.650 387 V HN 0.257 nan 8.190 nan 0.000 0.449 388 E N -0.199 120.001 120.200 -0.001 0.000 2.118 388 E HA -0.249 4.101 4.350 0.000 0.000 0.195 388 E C 2.197 178.796 176.600 -0.002 0.000 0.992 388 E CA 1.452 57.851 56.400 -0.001 0.000 0.804 388 E CB -0.257 29.442 29.700 -0.002 0.000 0.741 388 E HN 0.423 nan 8.360 nan 0.000 0.458 389 M N 1.101 120.700 119.600 -0.002 0.000 2.080 389 M HA -0.183 4.297 4.480 0.000 0.000 0.260 389 M C 1.684 177.983 176.300 -0.002 0.000 1.068 389 M CA 1.573 56.871 55.300 -0.002 0.000 1.109 389 M CB -0.146 32.452 32.600 -0.003 0.000 1.342 389 M HN -0.104 nan 8.290 nan 0.000 0.405 390 K N 0.113 120.512 120.400 -0.000 0.000 2.148 390 K HA -0.135 4.185 4.320 0.000 0.000 0.204 390 K C 1.870 178.472 176.600 0.002 0.000 1.050 390 K CA 1.017 57.304 56.287 0.001 0.000 0.942 390 K CB -0.564 31.938 32.500 0.002 0.000 0.724 390 K HN 0.513 nan 8.250 nan 0.000 0.446 391 E N 1.769 121.969 120.200 0.001 0.000 2.107 391 E HA -0.169 4.181 4.350 0.000 0.000 0.191 391 E C 1.911 178.512 176.600 0.001 0.000 0.982 391 E CA 1.070 57.471 56.400 0.002 0.000 0.809 391 E CB 0.144 29.844 29.700 0.001 0.000 0.756 391 E HN 0.201 nan 8.360 nan 0.000 0.459 392 K N 1.030 121.430 120.400 -0.001 0.000 2.062 392 K HA -0.140 4.181 4.320 0.000 0.000 0.205 392 K C 2.363 178.961 176.600 -0.003 0.000 1.051 392 K CA 1.263 57.548 56.287 -0.002 0.000 0.941 392 K CB -0.088 32.410 32.500 -0.004 0.000 0.719 392 K HN -0.073 nan 8.250 nan 0.000 0.440 393 K N 0.216 120.614 120.400 -0.003 0.000 2.152 393 K HA -0.161 4.159 4.320 0.000 0.000 0.206 393 K C 1.845 178.444 176.600 -0.001 0.000 1.048 393 K CA 1.281 57.565 56.287 -0.004 0.000 0.933 393 K CB -0.131 32.367 32.500 -0.003 0.000 0.721 393 K HN 0.244 nan 8.250 nan 0.000 0.447 394 A N 1.392 124.215 122.820 0.005 0.000 1.872 394 A HA -0.114 4.206 4.320 0.000 0.000 0.214 394 A C 2.057 179.649 177.584 0.014 0.000 1.187 394 A CA 1.207 53.252 52.037 0.013 0.000 0.614 394 A CB -0.413 18.595 19.000 0.013 0.000 0.826 394 A HN 0.312 nan 8.150 nan 0.000 0.442 395 R N -0.521 119.983 120.500 0.008 0.000 2.105 395 R HA -0.101 4.239 4.340 0.000 0.000 0.239 395 R C 2.011 178.312 176.300 0.001 0.000 1.135 395 R CA 1.473 57.577 56.100 0.007 0.000 0.967 395 R CB -0.612 29.689 30.300 0.002 0.000 0.861 395 R HN 0.402 nan 8.270 nan 0.000 0.442 396 V N 1.023 120.933 119.914 -0.007 0.000 2.295 396 V HA -0.237 3.883 4.120 0.000 0.000 0.246 396 V C 2.074 178.145 176.094 -0.038 0.000 1.049 396 V CA 1.834 64.121 62.300 -0.021 0.000 1.024 396 V CB -0.444 31.364 31.823 -0.024 0.000 0.648 396 V HN 0.326 nan 8.190 nan 0.000 0.447 397 E N -0.181 120.000 120.200 -0.031 0.000 2.085 397 E HA -0.242 4.108 4.350 0.000 0.000 0.194 397 E C 1.999 178.584 176.600 -0.024 0.000 0.994 397 E CA 1.595 57.960 56.400 -0.058 0.000 0.801 397 E CB -0.090 29.611 29.700 0.002 0.000 0.743 397 E HN 0.619 nan 8.360 nan 0.000 0.453 398 D N -0.207 120.228 120.400 0.059 0.000 2.091 398 D HA -0.112 4.528 4.640 0.000 0.000 0.199 398 D C 1.930 178.272 176.300 0.069 0.000 0.980 398 D CA 1.198 55.270 54.000 0.120 0.000 0.831 398 D CB -0.298 40.547 40.800 0.076 0.000 0.987 398 D HN 0.172 nan 8.370 nan 0.000 0.460 399 A N 1.157 123.990 122.820 0.021 0.000 1.948 399 A HA -0.203 4.117 4.320 0.000 0.000 0.220 399 A C 2.185 179.763 177.584 -0.010 0.000 1.177 399 A CA 1.194 53.236 52.037 0.007 0.000 0.636 399 A CB -0.764 18.233 19.000 -0.005 0.000 0.815 399 A HN 0.220 nan 8.150 nan 0.000 0.449 400 L N -0.669 120.518 121.223 -0.061 0.000 1.994 400 L HA -0.186 4.154 4.340 0.000 0.000 0.208 400 L C 2.442 179.256 176.870 -0.094 0.000 1.071 400 L CA 2.344 57.115 54.840 -0.116 0.000 0.745 400 L CB -0.864 41.066 42.059 -0.216 0.000 0.892 400 L HN 0.536 nan 8.230 nan 0.000 0.431 401 H N -0.509 118.559 119.070 -0.003 0.000 2.387 401 H HA -0.092 4.464 4.556 0.000 0.000 0.299 401 H C 2.094 177.422 175.328 0.000 0.000 1.099 401 H CA 1.470 57.516 56.048 -0.002 0.000 1.315 401 H CB -0.452 29.308 29.762 -0.004 0.000 1.380 401 H HN 0.521 nan 8.280 nan 0.000 0.513 402 A N 0.435 123.328 122.820 0.121 0.000 1.898 402 A HA -0.134 4.186 4.320 0.000 0.000 0.216 402 A C 2.639 180.249 177.584 0.043 0.000 1.181 402 A CA 1.980 54.058 52.037 0.068 0.000 0.620 402 A CB -0.784 18.245 19.000 0.048 0.000 0.819 402 A HN 0.393 nan 8.150 nan 0.000 0.442 403 T N -0.634 113.936 114.554 0.027 0.000 2.777 403 T HA -0.119 4.232 4.350 0.000 0.000 0.266 403 T C 2.094 176.805 174.700 0.017 0.000 1.040 403 T CA 1.611 63.720 62.100 0.014 0.000 1.141 403 T CB -0.215 68.653 68.868 -0.000 0.000 0.868 403 T HN 0.468 nan 8.240 nan 0.000 0.444 404 R N 1.812 122.326 120.500 0.022 0.000 2.091 404 R HA 0.031 4.371 4.340 0.000 0.000 0.238 404 R C 2.361 178.682 176.300 0.035 0.000 1.136 404 R CA 1.790 57.906 56.100 0.026 0.000 0.959 404 R CB -0.934 29.389 30.300 0.037 0.000 0.856 404 R HN 0.358 nan 8.270 nan 0.000 0.437 405 A N -0.088 122.759 122.820 0.046 0.000 1.930 405 A HA 0.055 4.375 4.320 0.000 0.000 0.217 405 A C 2.328 179.930 177.584 0.030 0.000 1.175 405 A CA 1.495 53.557 52.037 0.041 0.000 0.627 405 A CB -0.914 18.113 19.000 0.046 0.000 0.815 405 A HN 0.468 nan 8.150 nan 0.000 0.443 406 A N -0.571 122.265 122.820 0.027 0.000 1.972 406 A HA 0.013 4.333 4.320 0.000 0.000 0.219 406 A C 2.129 179.724 177.584 0.017 0.000 1.169 406 A CA 1.696 53.746 52.037 0.020 0.000 0.635 406 A CB -0.743 18.268 19.000 0.018 0.000 0.810 406 A HN 0.371 nan 8.150 nan 0.000 0.446 407 V N -0.115 119.809 119.914 0.017 0.000 2.667 407 V HA -0.198 3.922 4.120 0.000 0.000 0.252 407 V C 2.274 178.378 176.094 0.015 0.000 1.065 407 V CA 2.070 64.379 62.300 0.014 0.000 1.083 407 V CB -0.606 31.224 31.823 0.012 0.000 0.692 407 V HN 0.636 nan 8.190 nan 0.000 0.468 408 E N -0.215 119.996 120.200 0.019 0.000 2.122 408 E HA -0.074 4.277 4.350 0.000 0.000 0.190 408 E C 1.381 177.992 176.600 0.018 0.000 0.977 408 E CA 0.966 57.378 56.400 0.020 0.000 0.820 408 E CB 0.153 29.868 29.700 0.024 0.000 0.770 408 E HN 0.649 nan 8.360 nan 0.000 0.462 409 E N -0.708 119.503 120.200 0.018 0.000 2.789 409 E HA 0.224 4.574 4.350 0.000 0.000 0.217 409 E C 0.183 176.792 176.600 0.016 0.000 0.970 409 E CA 0.082 56.492 56.400 0.017 0.000 1.201 409 E CB 1.703 31.413 29.700 0.017 0.000 1.069 409 E HN 0.218 nan 8.360 nan 0.000 0.499 410 G N 1.294 110.104 108.800 0.016 0.000 2.681 410 G HA2 -0.213 3.747 3.960 0.000 0.000 0.220 410 G HA3 -0.213 3.747 3.960 0.000 0.000 0.220 410 G C -0.271 174.638 174.900 0.016 0.000 1.353 410 G CA -0.415 44.694 45.100 0.015 0.000 0.872 410 G HN 0.563 nan 8.290 nan 0.000 0.557 411 V N -2.692 117.231 119.914 0.015 0.000 3.040 411 V HA 0.989 5.109 4.120 0.000 0.000 0.312 411 V C 0.484 176.587 176.094 0.016 0.000 1.115 411 V CA 0.139 62.448 62.300 0.015 0.000 0.998 411 V CB 1.428 33.258 31.823 0.013 0.000 1.042 411 V HN 2.458 nan 8.190 nan 0.000 0.433 412 V N -0.968 118.956 119.914 0.016 0.000 3.181 412 V HA 0.988 5.108 4.120 0.000 0.000 0.308 412 V C 0.423 176.526 176.094 0.015 0.000 1.214 412 V CA -0.754 61.556 62.300 0.017 0.000 1.053 412 V CB 1.269 33.103 31.823 0.018 0.000 1.069 412 V HN 2.085 nan 8.190 nan 0.000 0.441 413 A N 1.196 124.026 122.820 0.018 0.000 2.515 413 A HA 0.607 4.927 4.320 0.000 0.000 0.263 413 A C 0.951 178.540 177.584 0.007 0.000 1.096 413 A CA 0.699 52.744 52.037 0.013 0.000 0.769 413 A CB -0.766 18.246 19.000 0.019 0.000 1.040 413 A HN 1.895 nan 8.150 nan 0.000 0.505 414 G N 1.477 110.277 108.800 -0.000 0.000 2.514 414 G HA2 0.480 4.440 3.960 0.000 0.000 0.245 414 G HA3 0.480 4.440 3.960 0.000 0.000 0.245 414 G C 1.244 176.141 174.900 -0.006 0.000 1.488 414 G CA -0.004 45.094 45.100 -0.002 0.000 1.063 414 G HN 2.201 nan 8.290 nan 0.000 0.557 415 G N -2.056 106.739 108.800 -0.008 0.000 2.212 415 G HA2 0.190 4.150 3.960 0.000 0.000 0.267 415 G HA3 0.190 4.150 3.960 0.000 0.000 0.267 415 G C 1.557 176.462 174.900 0.010 0.000 1.002 415 G CA 1.307 46.404 45.100 -0.005 0.000 0.729 415 G HN 2.474 nan 8.290 nan 0.000 0.517 416 G N -2.409 106.397 108.800 0.009 0.000 2.184 416 G HA2 -0.105 3.855 3.960 0.000 0.000 0.264 416 G HA3 -0.105 3.855 3.960 0.000 0.000 0.264 416 G C 1.844 176.754 174.900 0.017 0.000 0.975 416 G CA 1.891 46.999 45.100 0.014 0.000 0.642 416 G HN 2.221 nan 8.290 nan 0.000 0.536 417 V N -1.780 118.143 119.914 0.015 0.000 2.719 417 V HA 0.440 4.561 4.120 0.000 0.000 0.252 417 V C 2.724 178.835 176.094 0.027 0.000 1.065 417 V CA 1.914 64.227 62.300 0.021 0.000 1.086 417 V CB -0.503 31.328 31.823 0.013 0.000 0.700 417 V HN 1.385 nan 8.190 nan 0.000 0.467 418 A N 0.772 123.606 122.820 0.023 0.000 1.877 418 A HA -0.073 4.247 4.320 0.000 0.000 0.216 418 A C 2.243 179.842 177.584 0.025 0.000 1.186 418 A CA 2.241 54.293 52.037 0.026 0.000 0.620 418 A CB -0.726 18.287 19.000 0.021 0.000 0.822 418 A HN 0.584 nan 8.150 nan 0.000 0.443 419 L N -0.936 120.300 121.223 0.022 0.000 2.017 419 L HA -0.156 4.184 4.340 0.000 0.000 0.208 419 L C 2.551 179.434 176.870 0.022 0.000 1.073 419 L CA 1.605 56.457 54.840 0.020 0.000 0.745 419 L CB -0.326 41.743 42.059 0.018 0.000 0.894 419 L HN 0.534 nan 8.230 nan 0.000 0.432 420 I N -0.447 120.138 120.570 0.025 0.000 2.394 420 I HA -0.302 3.868 4.170 0.000 0.000 0.251 420 I C 2.755 178.893 176.117 0.035 0.000 1.136 420 I CA 0.952 62.269 61.300 0.028 0.000 1.425 420 I CB 0.013 38.030 38.000 0.029 0.000 1.079 420 I HN 0.196 nan 8.210 nan 0.000 0.425 421 R N 0.461 120.986 120.500 0.041 0.000 2.066 421 R HA -0.121 4.220 4.340 0.000 0.000 0.232 421 R C 2.038 178.360 176.300 0.038 0.000 1.131 421 R CA 2.123 58.253 56.100 0.049 0.000 0.955 421 R CB -1.107 29.227 30.300 0.056 0.000 0.851 421 R HN 0.257 nan 8.270 nan 0.000 0.432 422 V N 0.856 120.788 119.914 0.030 0.000 2.332 422 V HA -0.217 3.903 4.120 0.000 0.000 0.248 422 V C 2.268 178.375 176.094 0.020 0.000 1.055 422 V CA 2.025 64.340 62.300 0.023 0.000 1.038 422 V CB -0.725 31.110 31.823 0.019 0.000 0.651 422 V HN 0.589 nan 8.190 nan 0.000 0.450 423 A N 0.164 122.996 122.820 0.020 0.000 1.930 423 A HA -0.181 4.140 4.320 0.000 0.000 0.217 423 A C 2.512 180.107 177.584 0.019 0.000 1.175 423 A CA 1.952 53.999 52.037 0.017 0.000 0.627 423 A CB -0.772 18.238 19.000 0.016 0.000 0.815 423 A HN 0.712 nan 8.150 nan 0.000 0.443 424 S N 0.048 115.763 115.700 0.024 0.000 2.440 424 S HA -0.171 4.299 4.470 0.000 0.000 0.238 424 S C 1.594 176.207 174.600 0.021 0.000 1.010 424 S CA 1.578 59.793 58.200 0.025 0.000 0.972 424 S CB -0.368 62.853 63.200 0.035 0.000 0.774 424 S HN 0.631 nan 8.310 nan 0.000 0.501 425 K N 0.502 120.914 120.400 0.020 0.000 2.361 425 K HA 0.286 4.606 4.320 0.000 0.000 0.196 425 K C 0.943 177.550 176.600 0.012 0.000 1.039 425 K CA 0.336 56.633 56.287 0.016 0.000 1.001 425 K CB -0.088 32.422 32.500 0.017 0.000 0.795 425 K HN 0.425 nan 8.250 nan 0.000 0.495 426 L N 0.674 121.904 121.223 0.012 0.000 2.728 426 L HA 0.212 4.552 4.340 0.000 0.000 0.235 426 L C 1.758 178.633 176.870 0.008 0.000 1.197 426 L CA -0.305 54.540 54.840 0.009 0.000 0.992 426 L CB -0.054 42.010 42.059 0.008 0.000 1.263 426 L HN 0.048 nan 8.230 nan 0.000 0.484 427 A N -0.039 122.786 122.820 0.008 0.000 2.076 427 A HA -0.188 4.132 4.320 0.000 0.000 0.220 427 A C 1.573 179.160 177.584 0.005 0.000 1.160 427 A CA 1.640 53.681 52.037 0.007 0.000 0.653 427 A CB -0.184 18.821 19.000 0.008 0.000 0.801 427 A HN 0.393 nan 8.150 nan 0.000 0.455 428 D N -1.344 119.059 120.400 0.005 0.000 2.369 428 D HA 0.159 4.799 4.640 0.000 0.000 0.211 428 D C 0.186 176.488 176.300 0.003 0.000 1.077 428 D CA -0.312 53.690 54.000 0.004 0.000 0.842 428 D CB -0.015 40.787 40.800 0.003 0.000 0.947 428 D HN 0.342 nan 8.370 nan 0.000 0.509 429 L N 2.163 123.389 121.223 0.004 0.000 2.540 429 L HA 0.042 4.382 4.340 0.000 0.000 0.276 429 L C 0.158 177.030 176.870 0.002 0.000 1.212 429 L CA 0.655 55.496 54.840 0.003 0.000 0.893 429 L CB 0.110 42.171 42.059 0.003 0.000 1.138 429 L HN -0.214 nan 8.230 nan 0.000 0.491 430 R N 3.245 123.746 120.500 0.002 0.000 2.867 430 R HA 0.696 5.037 4.340 0.000 0.000 0.268 430 R C -0.115 176.186 176.300 0.001 0.000 1.014 430 R CA -0.305 55.796 56.100 0.001 0.000 0.946 430 R CB 1.482 31.783 30.300 0.001 0.000 1.208 430 R HN 0.801 nan 8.270 nan 0.000 0.477 431 G N -0.325 108.475 108.800 0.001 0.000 3.008 431 G HA2 0.199 4.159 3.960 0.000 0.000 0.181 431 G HA3 0.199 4.159 3.960 0.000 0.000 0.181 431 G C 0.067 174.967 174.900 0.000 0.000 1.309 431 G CA -0.191 44.909 45.100 0.001 0.000 1.009 431 G HN 0.419 nan 8.290 nan 0.000 0.584 432 Q N -0.556 119.245 119.800 0.000 0.000 2.376 432 Q HA 0.144 4.484 4.340 0.000 0.000 0.206 432 Q C -0.018 175.983 176.000 0.000 0.000 0.921 432 Q CA 0.666 56.469 55.803 0.000 0.000 0.911 432 Q CB 0.219 28.957 28.738 0.000 0.000 1.032 432 Q HN 0.623 nan 8.270 nan 0.000 0.510 433 N N -2.011 116.689 118.700 0.001 0.000 2.853 433 N HA 0.084 4.824 4.740 0.000 0.000 0.258 433 N C -0.093 175.417 175.510 0.001 0.000 1.444 433 N CA -0.614 52.436 53.050 0.001 0.000 0.837 433 N CB 0.490 38.977 38.487 0.001 0.000 1.489 433 N HN -0.360 nan 8.380 nan 0.000 0.529 434 E N -0.176 120.024 120.200 0.001 0.000 2.110 434 E HA -0.141 4.209 4.350 0.000 0.000 0.193 434 E C 0.308 176.909 176.600 0.001 0.000 0.988 434 E CA 1.159 57.560 56.400 0.001 0.000 0.804 434 E CB -0.274 29.426 29.700 0.001 0.000 0.745 434 E HN 0.567 nan 8.360 nan 0.000 0.458 435 D N 0.495 120.896 120.400 0.001 0.000 2.097 435 D HA -0.155 4.486 4.640 0.000 0.000 0.195 435 D C 1.975 178.276 176.300 0.002 0.000 0.989 435 D CA 0.902 54.903 54.000 0.002 0.000 0.827 435 D CB -0.192 40.609 40.800 0.002 0.000 0.966 435 D HN 0.274 nan 8.370 nan 0.000 0.456 436 Q N 0.110 119.911 119.800 0.002 0.000 2.170 436 Q HA -0.114 4.226 4.340 0.000 0.000 0.203 436 Q C 1.826 177.827 176.000 0.002 0.000 0.976 436 Q CA 0.745 56.549 55.803 0.002 0.000 0.858 436 Q CB 0.063 28.801 28.738 0.001 0.000 0.907 436 Q HN 0.244 nan 8.270 nan 0.000 0.433 437 N N -0.243 118.458 118.700 0.002 0.000 2.142 437 N HA -0.118 4.622 4.740 0.000 0.000 0.186 437 N C 1.830 177.342 175.510 0.002 0.000 1.023 437 N CA 1.005 54.056 53.050 0.002 0.000 0.852 437 N CB -0.233 38.255 38.487 0.002 0.000 0.998 437 N HN 0.060 nan 8.380 nan 0.000 0.424 438 V N 1.055 120.970 119.914 0.002 0.000 2.343 438 V HA -0.157 3.964 4.120 0.000 0.000 0.247 438 V C 2.481 178.577 176.094 0.003 0.000 1.051 438 V CA 1.996 64.298 62.300 0.003 0.000 1.036 438 V CB -1.279 30.546 31.823 0.003 0.000 0.654 438 V HN 0.327 nan 8.190 nan 0.000 0.451 439 G N 0.078 108.880 108.800 0.003 0.000 2.446 439 G HA2 -0.254 3.706 3.960 0.000 0.000 0.217 439 G HA3 -0.254 3.706 3.960 0.000 0.000 0.217 439 G C 1.569 176.471 174.900 0.003 0.000 1.168 439 G CA 1.218 46.320 45.100 0.003 0.000 0.771 439 G HN 0.487 nan 8.290 nan 0.000 0.551 440 I N 0.352 120.923 120.570 0.003 0.000 2.163 440 I HA -0.162 4.009 4.170 0.000 0.000 0.243 440 I C 2.696 178.815 176.117 0.004 0.000 1.085 440 I CA 1.136 62.437 61.300 0.003 0.000 1.347 440 I CB -0.148 37.854 38.000 0.002 0.000 1.044 440 I HN 0.039 nan 8.210 nan 0.000 0.408 441 K N 0.494 120.896 120.400 0.004 0.000 2.148 441 K HA -0.056 4.264 4.320 0.000 0.000 0.204 441 K C 2.117 178.720 176.600 0.005 0.000 1.050 441 K CA 0.914 57.203 56.287 0.004 0.000 0.942 441 K CB -0.550 31.952 32.500 0.004 0.000 0.724 441 K HN 0.227 nan 8.250 nan 0.000 0.446 442 V N 1.598 121.514 119.914 0.005 0.000 2.295 442 V HA -0.236 3.884 4.120 0.000 0.000 0.246 442 V C 2.467 178.564 176.094 0.006 0.000 1.049 442 V CA 1.993 64.296 62.300 0.005 0.000 1.024 442 V CB -0.717 31.109 31.823 0.005 0.000 0.648 442 V HN 0.281 nan 8.190 nan 0.000 0.447 443 A N -0.251 122.573 122.820 0.005 0.000 1.873 443 A HA -0.127 4.193 4.320 0.000 0.000 0.215 443 A C 2.195 179.783 177.584 0.007 0.000 1.186 443 A CA 1.677 53.717 52.037 0.006 0.000 0.616 443 A CB -0.558 18.444 19.000 0.004 0.000 0.823 443 A HN 0.484 nan 8.150 nan 0.000 0.442 444 L N -1.144 120.083 121.223 0.007 0.000 2.079 444 L HA -0.197 4.143 4.340 0.000 0.000 0.210 444 L C 2.828 179.703 176.870 0.009 0.000 1.081 444 L CA 1.784 56.629 54.840 0.008 0.000 0.752 444 L CB -0.520 41.544 42.059 0.008 0.000 0.896 444 L HN 0.445 nan 8.230 nan 0.000 0.433 445 R N 0.224 120.729 120.500 0.007 0.000 2.081 445 R HA -0.154 4.186 4.340 0.000 0.000 0.235 445 R C 2.375 178.679 176.300 0.007 0.000 1.131 445 R CA 1.377 57.481 56.100 0.007 0.000 0.960 445 R CB -0.209 30.094 30.300 0.006 0.000 0.856 445 R HN 0.344 nan 8.270 nan 0.000 0.436 446 A N 0.726 123.551 122.820 0.008 0.000 1.933 446 A HA -0.156 4.164 4.320 0.000 0.000 0.218 446 A C 2.075 179.665 177.584 0.010 0.000 1.175 446 A CA 1.372 53.414 52.037 0.008 0.000 0.628 446 A CB -0.419 18.587 19.000 0.009 0.000 0.814 446 A HN 0.343 nan 8.150 nan 0.000 0.444 447 M N -0.500 119.106 119.600 0.010 0.000 2.623 447 M HA -0.148 4.332 4.480 0.000 0.000 0.258 447 M C 1.268 177.576 176.300 0.012 0.000 1.067 447 M CA 1.094 56.401 55.300 0.012 0.000 1.068 447 M CB -0.277 32.331 32.600 0.013 0.000 1.409 447 M HN 0.488 nan 8.290 nan 0.000 0.504 448 E N -0.274 119.932 120.200 0.010 0.000 2.452 448 E HA 0.076 4.426 4.350 0.000 0.000 0.197 448 E C 2.031 178.634 176.600 0.005 0.000 1.022 448 E CA 0.307 56.712 56.400 0.008 0.000 0.890 448 E CB 0.155 29.859 29.700 0.007 0.000 0.918 448 E HN 0.477 nan 8.360 nan 0.000 0.496 449 A N 2.479 125.302 122.820 0.006 0.000 1.873 449 A HA -0.157 4.163 4.320 0.000 0.000 0.218 449 A C -0.328 177.259 177.584 0.004 0.000 1.193 449 A CA 1.449 53.489 52.037 0.004 0.000 0.629 449 A CB -1.493 17.511 19.000 0.006 0.000 0.826 449 A HN 0.120 nan 8.150 nan 0.000 0.447 450 P HA -0.178 nan 4.420 nan 0.000 0.214 450 P C 1.855 179.159 177.300 0.007 0.000 1.163 450 P CA 0.962 64.067 63.100 0.008 0.000 0.889 450 P CB -0.142 31.564 31.700 0.011 0.000 0.790 451 L N -0.723 120.505 121.223 0.007 0.000 1.989 451 L HA -0.228 4.112 4.340 0.000 0.000 0.211 451 L C 2.493 179.359 176.870 -0.007 0.000 1.071 451 L CA 1.940 56.784 54.840 0.006 0.000 0.749 451 L CB -0.448 41.614 42.059 0.005 0.000 0.890 451 L HN -0.103 nan 8.230 nan 0.000 0.431 452 R N -0.672 119.821 120.500 -0.013 0.000 2.103 452 R HA -0.282 4.059 4.340 0.000 0.000 0.242 452 R C 2.245 178.536 176.300 -0.016 0.000 1.142 452 R CA 2.041 58.128 56.100 -0.022 0.000 0.960 452 R CB -0.357 29.934 30.300 -0.015 0.000 0.858 452 R HN 0.386 nan 8.270 nan 0.000 0.439 453 Q N 0.947 120.744 119.800 -0.006 0.000 2.079 453 Q HA -0.078 4.262 4.340 0.000 0.000 0.200 453 Q C 1.851 177.852 176.000 0.003 0.000 0.974 453 Q CA 1.523 57.325 55.803 -0.002 0.000 0.840 453 Q CB -0.142 28.597 28.738 0.001 0.000 0.898 453 Q HN 0.366 nan 8.270 nan 0.000 0.430 454 I N -0.668 119.907 120.570 0.008 0.000 2.208 454 I HA -0.275 3.895 4.170 0.000 0.000 0.245 454 I C 2.001 178.136 176.117 0.031 0.000 1.097 454 I CA 1.003 62.316 61.300 0.021 0.000 1.363 454 I CB -0.272 37.747 38.000 0.032 0.000 1.051 454 I HN 0.078 nan 8.210 nan 0.000 0.413 455 V N 0.557 120.479 119.914 0.012 0.000 2.427 455 V HA -0.260 3.860 4.120 0.000 0.000 0.248 455 V C 2.353 178.441 176.094 -0.009 0.000 1.051 455 V CA 1.502 63.795 62.300 -0.012 0.000 1.048 455 V CB -0.467 31.286 31.823 -0.117 0.000 0.666 455 V HN 0.354 nan 8.190 nan 0.000 0.456 456 L N 0.763 121.979 121.223 -0.012 0.000 2.083 456 L HA -0.133 4.207 4.340 0.000 0.000 0.209 456 L C 2.173 179.045 176.870 0.003 0.000 1.083 456 L CA 1.890 56.725 54.840 -0.008 0.000 0.752 456 L CB -0.809 41.245 42.059 -0.008 0.000 0.899 456 L HN 0.306 nan 8.230 nan 0.000 0.433 457 N N -1.130 117.575 118.700 0.007 0.000 2.289 457 N HA -0.158 4.583 4.740 0.000 0.000 0.184 457 N C 1.723 177.242 175.510 0.015 0.000 1.016 457 N CA 1.554 54.609 53.050 0.009 0.000 0.872 457 N CB -0.670 37.822 38.487 0.009 0.000 0.973 457 N HN 0.425 nan 8.380 nan 0.000 0.433 458 C N -0.539 118.777 119.300 0.027 0.000 2.500 458 C HA 0.229 4.689 4.460 0.000 0.000 0.273 458 C C 1.644 176.652 174.990 0.030 0.000 1.428 458 C CA 0.424 59.465 59.018 0.038 0.000 1.766 458 C CB -1.143 26.645 27.740 0.081 0.000 1.817 458 C HN 0.630 nan 8.230 nan 0.000 0.543 459 G N 0.890 109.701 108.800 0.019 0.000 2.132 459 G HA2 -0.152 3.808 3.960 0.000 0.000 0.228 459 G HA3 -0.152 3.808 3.960 0.000 0.000 0.228 459 G C -0.209 174.698 174.900 0.012 0.000 1.000 459 G CA 0.127 45.235 45.100 0.013 0.000 0.693 459 G HN 0.505 nan 8.290 nan 0.000 0.515 460 E N -0.025 120.179 120.200 0.005 0.000 2.285 460 E HA 0.459 4.809 4.350 0.000 0.000 0.254 460 E C 0.042 176.622 176.600 -0.034 0.000 1.011 460 E CA -0.732 55.661 56.400 -0.012 0.000 0.873 460 E CB 0.710 30.392 29.700 -0.030 0.000 1.229 460 E HN 0.461 nan 8.360 nan 0.000 0.422 461 E N 1.473 121.645 120.200 -0.047 0.000 2.046 461 E HA 0.156 4.506 4.350 0.000 0.000 0.279 461 E C -1.805 174.752 176.600 -0.071 0.000 0.989 461 E CA -1.676 54.697 56.400 -0.044 0.000 0.798 461 E CB 1.129 30.813 29.700 -0.027 0.000 1.086 461 E HN 0.115 nan 8.360 nan 0.000 0.399 462 P HA -0.224 nan 4.420 nan 0.000 0.216 462 P C 1.177 178.445 177.300 -0.054 0.000 1.157 462 P CA 1.236 64.295 63.100 -0.068 0.000 0.880 462 P CB 0.303 31.978 31.700 -0.041 0.000 0.791 463 S N -0.794 114.885 115.700 -0.034 0.000 2.374 463 S HA -0.140 4.330 4.470 0.000 0.000 0.227 463 S C 1.959 176.547 174.600 -0.020 0.000 1.037 463 S CA 1.580 59.768 58.200 -0.021 0.000 1.024 463 S CB -1.272 61.920 63.200 -0.014 0.000 0.861 463 S HN -0.029 nan 8.310 nan 0.000 0.456 464 V N 1.135 121.032 119.914 -0.027 0.000 2.283 464 V HA -0.094 4.026 4.120 0.000 0.000 0.243 464 V C 2.318 178.405 176.094 -0.012 0.000 1.039 464 V CA 1.322 63.613 62.300 -0.016 0.000 1.016 464 V CB -0.839 30.977 31.823 -0.012 0.000 0.650 464 V HN 0.342 nan 8.190 nan 0.000 0.449 465 V N 0.587 120.460 119.914 -0.069 0.000 2.343 465 V HA -0.240 3.880 4.120 0.000 0.000 0.247 465 V C 2.753 178.837 176.094 -0.016 0.000 1.051 465 V CA 2.005 64.246 62.300 -0.099 0.000 1.036 465 V CB -1.199 30.340 31.823 -0.473 0.000 0.654 465 V HN 0.543 nan 8.190 nan 0.000 0.451 466 A N 0.418 123.217 122.820 -0.035 0.000 1.902 466 A HA -0.280 4.040 4.320 0.000 0.000 0.217 466 A C 2.079 179.681 177.584 0.030 0.000 1.181 466 A CA 2.284 54.321 52.037 0.000 0.000 0.623 466 A CB -0.844 18.150 19.000 -0.009 0.000 0.818 466 A HN 0.595 nan 8.150 nan 0.000 0.443 467 N N -0.612 118.101 118.700 0.021 0.000 2.120 467 N HA -0.116 4.624 4.740 0.000 0.000 0.188 467 N C 1.660 177.197 175.510 0.045 0.000 1.024 467 N CA 2.263 55.328 53.050 0.025 0.000 0.852 467 N CB -0.323 38.170 38.487 0.010 0.000 1.003 467 N HN 0.412 nan 8.380 nan 0.000 0.424 468 T N -0.724 113.866 114.554 0.060 0.000 2.812 468 T HA -0.016 4.334 4.350 0.000 0.000 0.264 468 T C 1.954 176.772 174.700 0.197 0.000 1.042 468 T CA 1.003 63.145 62.100 0.070 0.000 1.140 468 T CB -0.334 68.510 68.868 -0.041 0.000 0.870 468 T HN -0.003 nan 8.240 nan 0.000 0.445 469 V N 1.677 121.721 119.914 0.217 0.000 2.343 469 V HA -0.166 3.954 4.120 0.000 0.000 0.247 469 V C 2.453 178.667 176.094 0.201 0.000 1.051 469 V CA 1.532 63.962 62.300 0.217 0.000 1.036 469 V CB -0.484 31.412 31.823 0.121 0.000 0.654 469 V HN 0.458 nan 8.190 nan 0.000 0.451 470 K N 0.162 120.638 120.400 0.126 0.000 2.148 470 K HA -0.089 4.231 4.320 0.000 0.000 0.204 470 K C 2.237 178.892 176.600 0.091 0.000 1.050 470 K CA 1.277 57.619 56.287 0.093 0.000 0.942 470 K CB -0.554 31.980 32.500 0.057 0.000 0.724 470 K HN 0.568 nan 8.250 nan 0.000 0.446 471 G N 1.180 110.036 108.800 0.093 0.000 2.432 471 G HA2 -0.150 3.811 3.960 0.000 0.000 0.219 471 G HA3 -0.150 3.811 3.960 0.000 0.000 0.219 471 G C 0.859 175.779 174.900 0.034 0.000 1.135 471 G CA 0.898 46.029 45.100 0.051 0.000 0.767 471 G HN 0.391 nan 8.290 nan 0.000 0.550 472 G N -0.202 108.661 108.800 0.104 0.000 2.531 472 G HA2 0.490 4.450 3.960 0.000 0.000 0.253 472 G HA3 0.490 4.450 3.960 0.000 0.000 0.253 472 G C -0.543 174.404 174.900 0.078 0.000 1.439 472 G CA 0.350 45.448 45.100 -0.003 0.000 1.056 472 G HN 0.427 nan 8.290 nan 0.000 0.555 473 D N -3.603 116.843 120.400 0.077 0.000 2.692 473 D HA 0.522 5.162 4.640 0.000 0.000 0.303 473 D C 0.620 176.988 176.300 0.114 0.000 1.278 473 D CA 0.458 54.510 54.000 0.086 0.000 0.852 473 D CB 0.603 41.422 40.800 0.032 0.000 1.375 473 D HN 1.719 nan 8.370 nan 0.000 0.453 474 G N 0.478 109.328 108.800 0.084 0.000 2.550 474 G HA2 -0.292 3.668 3.960 0.000 0.000 0.277 474 G HA3 -0.292 3.668 3.960 0.000 0.000 0.277 474 G C -0.091 174.871 174.900 0.104 0.000 1.190 474 G CA 0.371 45.520 45.100 0.081 0.000 0.971 474 G HN 0.738 nan 8.290 nan 0.000 0.559 475 N N 0.081 118.845 118.700 0.108 0.000 2.451 475 N HA 0.374 5.114 4.740 0.000 0.000 0.264 475 N C -0.288 175.305 175.510 0.138 0.000 1.167 475 N CA -0.080 53.028 53.050 0.098 0.000 0.898 475 N CB 0.358 38.883 38.487 0.064 0.000 1.176 475 N HN 0.549 nan 8.380 nan 0.000 0.507 476 Y N 0.899 121.233 120.300 0.057 0.000 2.393 476 Y HA 0.555 5.105 4.550 0.000 0.000 0.338 476 Y C 0.679 176.648 175.900 0.115 0.000 1.029 476 Y CA -0.274 57.875 58.100 0.083 0.000 1.239 476 Y CB 0.081 38.587 38.460 0.078 0.000 1.170 476 Y HN 0.113 nan 8.280 nan 0.000 0.515 477 G N 4.146 112.707 108.800 -0.399 0.000 2.815 477 G HA2 0.251 4.211 3.960 0.000 0.000 0.305 477 G HA3 0.251 4.211 3.960 0.000 0.000 0.305 477 G C -2.406 172.322 174.900 -0.287 0.000 1.277 477 G CA -0.909 44.021 45.100 -0.283 0.000 0.795 477 G HN 0.525 nan 8.290 nan 0.000 0.528 478 Y N 1.622 121.714 120.300 -0.346 0.000 2.334 478 Y HA 0.516 5.066 4.550 0.000 0.000 0.336 478 Y C 0.019 175.721 175.900 -0.330 0.000 0.960 478 Y CA -1.307 56.476 58.100 -0.529 0.000 1.164 478 Y CB 1.291 39.418 38.460 -0.555 0.000 1.155 478 Y HN 0.411 nan 8.280 nan 0.000 0.478 479 N N 4.993 123.276 118.700 -0.695 0.000 2.402 479 N HA 0.094 4.834 4.740 0.000 0.000 0.259 479 N C 0.648 175.702 175.510 -0.760 0.000 1.167 479 N CA 0.690 53.425 53.050 -0.524 0.000 0.949 479 N CB 1.294 39.559 38.487 -0.370 0.000 1.212 479 N HN 0.940 nan 8.380 nan 0.000 0.493 480 A N 3.967 126.506 122.820 -0.468 0.000 2.019 480 A HA -0.076 4.244 4.320 0.000 0.000 0.219 480 A C 2.064 179.513 177.584 -0.225 0.000 1.164 480 A CA 1.677 53.536 52.037 -0.298 0.000 0.644 480 A CB -0.426 18.554 19.000 -0.033 0.000 0.805 480 A HN 0.723 nan 8.150 nan 0.000 0.449 481 A N -0.185 122.515 122.820 -0.199 0.000 1.832 481 A HA -0.088 4.232 4.320 0.000 0.000 0.214 481 A C 2.432 179.927 177.584 -0.149 0.000 1.200 481 A CA 2.473 54.429 52.037 -0.135 0.000 0.610 481 A CB -1.359 17.577 19.000 -0.107 0.000 0.842 481 A HN 0.805 nan 8.150 nan 0.000 0.444 482 T N -2.917 111.523 114.554 -0.190 0.000 3.088 482 T HA 0.127 4.477 4.350 0.000 0.000 0.259 482 T C 0.320 174.895 174.700 -0.209 0.000 1.122 482 T CA 0.886 62.889 62.100 -0.162 0.000 1.095 482 T CB -0.456 68.328 68.868 -0.139 0.000 0.930 482 T HN 0.590 nan 8.240 nan 0.000 0.508 483 E N 1.197 121.169 120.200 -0.380 0.000 2.320 483 E HA -0.129 4.221 4.350 0.000 0.000 0.234 483 E C -0.839 175.546 176.600 -0.358 0.000 1.183 483 E CA 0.403 56.523 56.400 -0.466 0.000 0.713 483 E CB -0.906 28.736 29.700 -0.097 0.000 1.226 483 E HN 0.658 nan 8.360 nan 0.000 0.382 484 E N -0.387 119.520 120.200 -0.489 0.000 2.356 484 E HA 0.349 4.699 4.350 0.000 0.000 0.275 484 E C -0.645 175.779 176.600 -0.293 0.000 0.904 484 E CA -0.713 55.566 56.400 -0.202 0.000 0.757 484 E CB 1.026 30.677 29.700 -0.081 0.000 1.232 484 E HN 0.034 nan 8.360 nan 0.000 0.442 485 Y N 0.127 120.415 120.300 -0.020 0.000 2.334 485 Y HA 0.646 5.196 4.550 0.000 0.000 0.325 485 Y C 1.305 177.195 175.900 -0.017 0.000 1.308 485 Y CA 0.610 58.673 58.100 -0.060 0.000 1.389 485 Y CB 1.354 39.828 38.460 0.024 0.000 1.328 485 Y HN 0.714 nan 8.280 nan 0.000 0.532 486 G N 0.204 109.073 108.800 0.115 0.000 2.352 486 G HA2 -0.058 3.902 3.960 0.000 0.000 0.283 486 G HA3 -0.058 3.902 3.960 0.000 0.000 0.283 486 G C -1.797 173.187 174.900 0.140 0.000 1.308 486 G CA -1.190 44.026 45.100 0.194 0.000 0.892 486 G HN 0.575 nan 8.290 nan 0.000 0.504 487 N N 1.085 119.864 118.700 0.131 0.000 2.411 487 N HA 0.154 4.894 4.740 0.000 0.000 0.259 487 N C 1.777 177.307 175.510 0.034 0.000 1.103 487 N CA -0.509 52.602 53.050 0.101 0.000 0.954 487 N CB 0.809 39.350 38.487 0.090 0.000 1.085 487 N HN 0.396 nan 8.380 nan 0.000 0.485 488 M N 3.535 123.143 119.600 0.014 0.000 2.149 488 M HA -0.164 4.316 4.480 0.000 0.000 0.261 488 M C 1.623 177.920 176.300 -0.004 0.000 1.064 488 M CA 1.145 56.436 55.300 -0.014 0.000 1.102 488 M CB -0.572 32.019 32.600 -0.016 0.000 1.369 488 M HN 0.560 nan 8.290 nan 0.000 0.408 489 I N 0.188 120.766 120.570 0.012 0.000 2.233 489 I HA -0.236 3.934 4.170 0.000 0.000 0.243 489 I C 1.946 178.068 176.117 0.009 0.000 1.093 489 I CA 1.284 62.590 61.300 0.011 0.000 1.380 489 I CB -1.514 36.497 38.000 0.018 0.000 1.067 489 I HN 0.245 nan 8.210 nan 0.000 0.413 490 D N 0.873 121.283 120.400 0.015 0.000 2.123 490 D HA -0.165 4.475 4.640 0.000 0.000 0.196 490 D C 2.186 178.488 176.300 0.003 0.000 0.992 490 D CA 1.233 55.241 54.000 0.013 0.000 0.833 490 D CB -0.134 40.679 40.800 0.023 0.000 0.954 490 D HN 0.331 nan 8.370 nan 0.000 0.455 491 M N -0.371 119.227 119.600 -0.004 0.000 2.686 491 M HA 0.072 4.552 4.480 0.000 0.000 0.246 491 M C 0.948 177.233 176.300 -0.024 0.000 1.096 491 M CA 0.544 55.832 55.300 -0.020 0.000 1.076 491 M CB 0.191 32.767 32.600 -0.040 0.000 1.504 491 M HN 0.033 nan 8.290 nan 0.000 0.524 492 G N 2.261 111.052 108.800 -0.015 0.000 2.246 492 G HA2 -0.250 3.711 3.960 0.000 0.000 0.273 492 G HA3 -0.250 3.711 3.960 0.000 0.000 0.273 492 G C -0.092 174.796 174.900 -0.020 0.000 1.055 492 G CA -0.122 44.969 45.100 -0.014 0.000 0.851 492 G HN 0.546 nan 8.290 nan 0.000 0.500 493 I N 0.560 121.115 120.570 -0.024 0.000 2.428 493 I HA 0.517 4.687 4.170 0.000 0.000 0.279 493 I C 0.088 176.195 176.117 -0.017 0.000 1.040 493 I CA -0.894 60.388 61.300 -0.029 0.000 1.171 493 I CB 0.704 38.674 38.000 -0.050 0.000 1.312 493 I HN 0.223 nan 8.210 nan 0.000 0.470 494 L N 3.325 124.542 121.223 -0.009 0.000 2.479 494 L HA 0.786 5.126 4.340 0.000 0.000 0.255 494 L C -1.369 175.503 176.870 0.003 0.000 1.026 494 L CA -0.707 54.132 54.840 -0.001 0.000 0.842 494 L CB 1.606 43.667 42.059 0.003 0.000 1.444 494 L HN 0.046 nan 8.230 nan 0.000 0.409 495 D N -0.316 120.088 120.400 0.007 0.000 2.575 495 D HA 0.493 5.133 4.640 0.000 0.000 0.236 495 D C -2.784 173.525 176.300 0.015 0.000 1.075 495 D CA -1.294 52.712 54.000 0.011 0.000 0.860 495 D CB 2.438 43.245 40.800 0.012 0.000 1.475 495 D HN 0.368 nan 8.370 nan 0.000 0.474 496 P HA 0.057 nan 4.420 nan 0.000 0.267 496 P C 0.856 178.169 177.300 0.021 0.000 1.205 496 P CA 0.149 63.261 63.100 0.021 0.000 0.765 496 P CB 0.573 32.288 31.700 0.026 0.000 0.828 497 T N 2.571 117.136 114.554 0.019 0.000 2.760 497 T HA -0.240 4.110 4.350 0.000 0.000 0.269 497 T C 1.603 176.315 174.700 0.021 0.000 1.047 497 T CA 1.411 63.522 62.100 0.019 0.000 1.139 497 T CB -0.279 68.599 68.868 0.017 0.000 0.855 497 T HN 0.502 nan 8.240 nan 0.000 0.471 498 K N 0.506 120.921 120.400 0.024 0.000 2.057 498 K HA -0.056 4.264 4.320 0.000 0.000 0.207 498 K C 2.381 179.003 176.600 0.037 0.000 1.049 498 K CA 1.062 57.367 56.287 0.029 0.000 0.931 498 K CB -0.399 32.120 32.500 0.032 0.000 0.714 498 K HN 0.236 nan 8.250 nan 0.000 0.440 499 V N 0.830 120.764 119.914 0.034 0.000 2.358 499 V HA -0.209 3.911 4.120 0.000 0.000 0.246 499 V C 1.748 177.865 176.094 0.039 0.000 1.047 499 V CA 2.520 64.841 62.300 0.036 0.000 1.035 499 V CB -0.420 31.418 31.823 0.026 0.000 0.658 499 V HN 0.453 nan 8.190 nan 0.000 0.452 500 T N 0.279 114.851 114.554 0.030 0.000 2.708 500 T HA -0.197 4.153 4.350 0.000 0.000 0.266 500 T C 1.944 176.661 174.700 0.029 0.000 1.037 500 T CA 1.996 64.112 62.100 0.027 0.000 1.146 500 T CB -0.352 68.528 68.868 0.021 0.000 0.865 500 T HN 0.552 nan 8.240 nan 0.000 0.435 501 R N 0.848 121.362 120.500 0.024 0.000 2.083 501 R HA -0.099 4.241 4.340 0.000 0.000 0.237 501 R C 2.579 178.888 176.300 0.015 0.000 1.137 501 R CA 1.854 57.962 56.100 0.013 0.000 0.951 501 R CB -0.373 29.931 30.300 0.006 0.000 0.851 501 R HN 0.232 nan 8.270 nan 0.000 0.434 502 S N 0.412 116.143 115.700 0.052 0.000 2.368 502 S HA -0.112 4.358 4.470 0.000 0.000 0.225 502 S C 1.987 176.704 174.600 0.195 0.000 1.030 502 S CA 1.071 59.344 58.200 0.122 0.000 0.999 502 S CB -0.233 63.092 63.200 0.209 0.000 0.844 502 S HN 0.577 nan 8.310 nan 0.000 0.459 503 A N 1.536 124.434 122.820 0.131 0.000 1.883 503 A HA -0.100 4.220 4.320 0.000 0.000 0.217 503 A C 2.143 179.785 177.584 0.096 0.000 1.186 503 A CA 1.593 53.699 52.037 0.116 0.000 0.624 503 A CB -0.818 18.220 19.000 0.063 0.000 0.822 503 A HN 0.418 nan 8.150 nan 0.000 0.444 504 L N -0.194 121.060 121.223 0.052 0.000 2.017 504 L HA -0.189 4.151 4.340 0.000 0.000 0.208 504 L C 2.509 179.382 176.870 0.006 0.000 1.073 504 L CA 2.414 57.270 54.840 0.026 0.000 0.745 504 L CB -0.860 41.206 42.059 0.011 0.000 0.894 504 L HN 0.522 nan 8.230 nan 0.000 0.432 505 Q N -1.871 117.905 119.800 -0.039 0.000 2.124 505 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 505 Q C 2.139 178.049 176.000 -0.150 0.000 0.977 505 Q CA 1.940 57.666 55.803 -0.128 0.000 0.850 505 Q CB -0.289 28.313 28.738 -0.227 0.000 0.901 505 Q HN 0.522 nan 8.270 nan 0.000 0.429 506 Y N 0.054 120.353 120.300 -0.002 0.000 2.314 506 Y HA -0.126 4.425 4.550 0.000 0.000 0.293 506 Y C 2.299 178.198 175.900 -0.002 0.000 1.129 506 Y CA 0.896 58.994 58.100 -0.003 0.000 1.201 506 Y CB -0.449 38.008 38.460 -0.006 0.000 0.999 506 Y HN 0.127 nan 8.280 nan 0.000 0.541 507 A N -0.046 122.859 122.820 0.141 0.000 1.855 507 A HA -0.090 4.230 4.320 0.000 0.000 0.215 507 A C 2.453 180.068 177.584 0.052 0.000 1.191 507 A CA 1.736 53.822 52.037 0.082 0.000 0.613 507 A CB -1.279 17.755 19.000 0.057 0.000 0.829 507 A HN 0.357 nan 8.150 nan 0.000 0.442 508 A N -0.767 122.071 122.820 0.030 0.000 1.978 508 A HA -0.116 4.204 4.320 0.000 0.000 0.220 508 A C 2.432 180.023 177.584 0.011 0.000 1.170 508 A CA 2.233 54.277 52.037 0.011 0.000 0.636 508 A CB -0.842 18.154 19.000 -0.006 0.000 0.810 508 A HN 0.560 nan 8.150 nan 0.000 0.448 509 S N -0.983 114.727 115.700 0.016 0.000 2.338 509 S HA -0.128 4.342 4.470 0.000 0.000 0.218 509 S C 1.974 176.598 174.600 0.039 0.000 1.032 509 S CA 1.609 59.822 58.200 0.021 0.000 0.999 509 S CB -0.587 62.632 63.200 0.031 0.000 0.905 509 S HN 0.564 nan 8.310 nan 0.000 0.439 510 V N 1.841 121.790 119.914 0.060 0.000 2.490 510 V HA -0.003 4.117 4.120 0.000 0.000 0.250 510 V C 2.520 178.634 176.094 0.033 0.000 1.061 510 V CA 1.998 64.327 62.300 0.048 0.000 1.064 510 V CB -1.021 30.833 31.823 0.052 0.000 0.670 510 V HN 0.583 nan 8.190 nan 0.000 0.461 511 A N 0.085 122.924 122.820 0.031 0.000 1.898 511 A HA -0.014 4.306 4.320 0.000 0.000 0.216 511 A C 2.381 179.976 177.584 0.019 0.000 1.181 511 A CA 1.802 53.853 52.037 0.023 0.000 0.620 511 A CB -1.418 17.594 19.000 0.020 0.000 0.819 511 A HN 0.643 nan 8.150 nan 0.000 0.442 512 G N -0.233 108.577 108.800 0.017 0.000 2.422 512 G HA2 -0.160 3.800 3.960 0.000 0.000 0.218 512 G HA3 -0.160 3.800 3.960 0.000 0.000 0.218 512 G C 1.553 176.462 174.900 0.015 0.000 1.146 512 G CA 1.021 46.129 45.100 0.013 0.000 0.769 512 G HN 0.425 nan 8.290 nan 0.000 0.547 513 L N -0.341 120.894 121.223 0.019 0.000 2.056 513 L HA -0.035 4.305 4.340 0.000 0.000 0.207 513 L C 3.116 179.998 176.870 0.020 0.000 1.078 513 L CA 1.039 55.891 54.840 0.020 0.000 0.749 513 L CB -0.331 41.742 42.059 0.023 0.000 0.901 513 L HN 0.241 nan 8.230 nan 0.000 0.433 514 M N -0.540 119.073 119.600 0.021 0.000 2.132 514 M HA -0.207 4.273 4.480 0.000 0.000 0.263 514 M C 2.283 178.595 176.300 0.019 0.000 1.065 514 M CA 1.781 57.093 55.300 0.021 0.000 1.122 514 M CB -0.318 32.294 32.600 0.021 0.000 1.365 514 M HN 0.195 nan 8.290 nan 0.000 0.411 515 I N 0.006 120.586 120.570 0.017 0.000 2.454 515 I HA -0.211 3.960 4.170 0.000 0.000 0.254 515 I C 1.618 177.745 176.117 0.017 0.000 1.156 515 I CA 1.388 62.698 61.300 0.015 0.000 1.433 515 I CB -0.609 37.398 38.000 0.013 0.000 1.082 515 I HN 0.396 nan 8.210 nan 0.000 0.432 516 T N -2.979 111.586 114.554 0.018 0.000 3.243 516 T HA 0.187 4.537 4.350 0.000 0.000 0.264 516 T C 0.387 175.102 174.700 0.025 0.000 1.000 516 T CA -0.359 61.753 62.100 0.020 0.000 0.901 516 T CB -0.357 68.522 68.868 0.017 0.000 1.083 516 T HN -0.073 nan 8.240 nan 0.000 0.559 517 T N 1.960 116.530 114.554 0.026 0.000 2.795 517 T HA 0.385 4.735 4.350 0.000 0.000 0.282 517 T C 0.475 175.198 174.700 0.037 0.000 0.980 517 T CA -0.604 61.513 62.100 0.029 0.000 1.012 517 T CB 1.794 70.677 68.868 0.024 0.000 0.936 517 T HN 0.096 nan 8.240 nan 0.000 0.457 518 E N 0.438 120.670 120.200 0.053 0.000 2.514 518 E HA 0.182 4.532 4.350 0.000 0.000 0.215 518 E C -0.060 176.607 176.600 0.112 0.000 0.946 518 E CA 0.091 56.546 56.400 0.091 0.000 1.038 518 E CB 0.845 30.613 29.700 0.114 0.000 1.069 518 E HN 0.575 nan 8.360 nan 0.000 0.503 519 C N 0.790 120.103 119.300 0.022 0.000 2.782 519 C HA 0.671 5.132 4.460 0.000 0.000 0.328 519 C C -1.316 173.601 174.990 -0.121 0.000 1.145 519 C CA -0.581 58.349 59.018 -0.148 0.000 1.358 519 C CB 0.348 28.006 27.740 -0.137 0.000 1.841 519 C HN 0.113 nan 8.230 nan 0.000 0.477 520 M N 5.267 124.776 119.600 -0.152 0.000 2.395 520 M HA 0.609 5.089 4.480 0.000 0.000 0.307 520 M C -1.091 175.262 176.300 0.088 0.000 1.091 520 M CA -0.590 54.732 55.300 0.038 0.000 0.919 520 M CB 2.142 34.878 32.600 0.228 0.000 1.662 520 M HN 0.391 nan 8.290 nan 0.000 0.440 521 V N 1.387 121.324 119.914 0.039 0.000 2.487 521 V HA 0.750 4.870 4.120 0.000 0.000 0.298 521 V C -0.344 175.700 176.094 -0.083 0.000 1.028 521 V CA -0.405 61.895 62.300 -0.000 0.000 0.860 521 V CB 1.967 33.773 31.823 -0.029 0.000 0.991 521 V HN 0.950 nan 8.190 nan 0.000 0.427 522 T N 2.286 116.745 114.554 -0.158 0.000 2.843 522 T HA 0.429 4.779 4.350 0.000 0.000 0.302 522 T C -1.154 173.439 174.700 -0.178 0.000 1.232 522 T CA -0.549 61.398 62.100 -0.256 0.000 1.009 522 T CB 1.820 70.362 68.868 -0.543 0.000 1.254 522 T HN 0.697 nan 8.240 nan 0.000 0.504 523 D N 1.480 121.789 120.400 -0.151 0.000 2.382 523 D HA 0.350 4.990 4.640 0.000 0.000 0.240 523 D C -0.161 176.084 176.300 -0.093 0.000 1.146 523 D CA -0.201 53.742 54.000 -0.095 0.000 0.897 523 D CB 0.386 41.140 40.800 -0.076 0.000 1.197 523 D HN 0.182 nan 8.370 nan 0.000 0.432 524 L N 3.889 125.084 121.223 -0.046 0.000 2.416 524 L HA 0.154 4.494 4.340 0.000 0.000 0.272 524 L C -1.161 175.691 176.870 -0.030 0.000 1.161 524 L CA -1.325 53.502 54.840 -0.022 0.000 0.845 524 L CB 0.468 42.527 42.059 -0.001 0.000 1.119 524 L HN 0.423 nan 8.230 nan 0.000 0.464 525 P HA -0.144 nan 4.420 nan 0.000 0.229 525 P C -0.035 177.257 177.300 -0.014 0.000 1.150 525 P CA 1.065 64.152 63.100 -0.022 0.000 0.765 525 P CB 0.143 31.839 31.700 -0.007 0.000 0.783 526 K N 0.000 120.395 120.400 -0.009 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 526 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543