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 1hr7_1_G DATA FIRST_RESID 14 DATA SEQUENCE ARTDNFKLSS LANGLKVATS NTPGHFSALG LYIDAGSRFE GRNLKGCTHI DATA SEQUENCE LDRLAFKSTE HVEGRAMAET LELLGGNYQC TSSRENLMYQ ASVFNQDVGK DATA SEQUENCE MLQLMSETVR FPKITEQELQ EQKLSAEYEI DEVWMKPELV LPELLHTAAY DATA SEQUENCE SGETLGSPLI CPRGLIPSIS KYYLLDYRNK FYTPENTVAA FVGVPHEKAL DATA SEQUENCE ELTGKYLGDW QSTHPPITKK VAQYTGGESC IPPAPVFGNL PELFHIQIGF DATA SEQUENCE EGLPIDHPDI YALATLQTLL GGGGXXXXGG PGKGMYSRLY THVLNQYYFV DATA SEQUENCE ENCVAFNHSY SDSGIFGISL SCIPQAAPQA VEVIAQQMYN TFANKDLRLT DATA SEQUENCE EDEVSRAKNQ LKSSLLMNLE SKLVELEDMG RQVLMHGRKI PVNEMISKIE DATA SEQUENCE DLKPDDISRV AEMIFTGNVN NAGNGKGRAT VVMQGDRGSF GDVENVLKAY DATA SEQUENCE GLGN 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.659 177.584 0.125 0.000 1.274 14 A CA 0.000 52.148 52.037 0.185 0.000 0.836 14 A CB 0.000 19.018 19.000 0.031 0.000 0.831 15 R N 0.289 120.829 120.500 0.067 0.000 1.904 15 R HA 0.184 4.524 4.340 -0.000 0.000 0.178 15 R C 1.869 178.195 176.300 0.044 0.000 1.718 15 R CA 2.008 58.136 56.100 0.046 0.000 1.331 15 R CB -1.202 29.112 30.300 0.022 0.000 1.089 15 R HN 0.564 nan 8.270 nan 0.000 0.479 16 T N -0.691 113.882 114.554 0.032 0.000 3.163 16 T HA 0.114 4.464 4.350 -0.000 0.000 0.252 16 T C 0.588 175.312 174.700 0.040 0.000 1.056 16 T CA -0.000 62.117 62.100 0.029 0.000 0.947 16 T CB 0.128 69.006 68.868 0.016 0.000 1.016 16 T HN 0.011 nan 8.240 nan 0.000 0.554 17 D N 2.131 122.568 120.400 0.061 0.000 2.149 17 D HA -0.054 4.586 4.640 -0.000 0.000 0.201 17 D C 1.110 177.473 176.300 0.107 0.000 0.972 17 D CA 0.884 54.934 54.000 0.083 0.000 0.835 17 D CB -0.315 40.554 40.800 0.116 0.000 0.966 17 D HN 0.514 nan 8.370 nan 0.000 0.476 18 N N -0.848 117.916 118.700 0.107 0.000 2.861 18 N HA -0.232 4.508 4.740 -0.000 0.000 0.247 18 N C -0.885 174.692 175.510 0.112 0.000 1.117 18 N CA 0.053 53.149 53.050 0.077 0.000 0.703 18 N CB -2.172 36.347 38.487 0.052 0.000 1.052 18 N HN 0.129 nan 8.380 nan 0.000 0.555 19 F N 1.553 121.499 119.950 -0.006 0.000 2.438 19 F HA 0.527 5.054 4.527 -0.000 0.000 0.356 19 F C 0.328 176.097 175.800 -0.051 0.000 1.099 19 F CA 0.054 58.052 58.000 -0.004 0.000 1.185 19 F CB 0.586 39.588 39.000 0.005 0.000 1.115 19 F HN 0.076 nan 8.300 nan 0.000 0.526 20 K N 6.194 126.073 120.400 -0.868 0.000 2.469 20 K HA 0.690 5.010 4.320 -0.000 0.000 0.254 20 K C -2.019 173.947 176.600 -1.057 0.000 0.939 20 K CA -1.110 54.605 56.287 -0.953 0.000 0.812 20 K CB 2.615 34.574 32.500 -0.902 0.000 1.301 20 K HN 0.619 nan 8.250 nan 0.000 0.433 21 L N 1.123 121.880 121.223 -0.777 0.000 2.464 21 L HA 0.573 4.913 4.340 -0.000 0.000 0.266 21 L C -1.348 175.472 176.870 -0.083 0.000 0.965 21 L CA 0.150 54.797 54.840 -0.322 0.000 0.833 21 L CB 2.072 43.976 42.059 -0.259 0.000 1.296 21 L HN 0.844 nan 8.230 nan 0.000 0.405 22 S N 1.727 117.496 115.700 0.115 0.000 2.705 22 S HA 0.912 5.382 4.470 -0.000 0.000 0.280 22 S C -0.991 173.667 174.600 0.097 0.000 1.174 22 S CA -0.788 57.477 58.200 0.109 0.000 0.823 22 S CB 1.652 64.960 63.200 0.180 0.000 1.162 22 S HN 0.613 nan 8.310 nan 0.000 0.487 23 S N 0.099 115.840 115.700 0.069 0.000 2.568 23 S HA 0.666 5.136 4.470 -0.000 0.000 0.293 23 S C -0.613 174.014 174.600 0.045 0.000 1.089 23 S CA -0.891 57.342 58.200 0.056 0.000 0.945 23 S CB 0.949 64.173 63.200 0.040 0.000 1.077 23 S HN 0.632 nan 8.310 nan 0.000 0.485 24 L N 1.279 122.528 121.223 0.044 0.000 2.431 24 L HA 0.465 4.805 4.340 -0.000 0.000 0.260 24 L C 1.716 178.600 176.870 0.024 0.000 1.098 24 L CA -0.694 54.169 54.840 0.038 0.000 0.800 24 L CB 0.379 42.471 42.059 0.055 0.000 1.210 24 L HN 0.901 nan 8.230 nan 0.000 0.465 25 A N 1.139 123.971 122.820 0.021 0.000 1.978 25 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 25 A C 1.544 179.128 177.584 -0.001 0.000 1.170 25 A CA 1.902 53.946 52.037 0.012 0.000 0.636 25 A CB -0.821 18.187 19.000 0.015 0.000 0.810 25 A HN 0.921 nan 8.150 nan 0.000 0.448 26 N N -1.160 117.537 118.700 -0.006 0.000 2.449 26 N HA 0.252 4.992 4.740 -0.000 0.000 0.191 26 N C 0.994 176.451 175.510 -0.088 0.000 1.161 26 N CA 1.260 54.280 53.050 -0.051 0.000 0.863 26 N CB -0.254 38.195 38.487 -0.063 0.000 0.980 26 N HN 0.775 nan 8.380 nan 0.000 0.458 27 G N -0.654 108.118 108.800 -0.046 0.000 2.213 27 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.236 27 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.236 27 G C -0.222 174.658 174.900 -0.034 0.000 0.991 27 G CA 0.091 45.161 45.100 -0.051 0.000 0.629 27 G HN 0.501 nan 8.290 nan 0.000 0.517 28 L N 2.060 123.273 121.223 -0.018 0.000 2.513 28 L HA 0.554 4.894 4.340 -0.000 0.000 0.272 28 L C 0.562 177.474 176.870 0.071 0.000 1.187 28 L CA 0.142 55.005 54.840 0.038 0.000 0.895 28 L CB 0.271 42.396 42.059 0.111 0.000 1.147 28 L HN 0.212 nan 8.230 nan 0.000 0.483 29 K N 4.025 124.475 120.400 0.084 0.000 2.143 29 K HA 0.579 4.899 4.320 -0.000 0.000 0.272 29 K C -1.204 175.484 176.600 0.147 0.000 1.001 29 K CA -0.755 55.593 56.287 0.102 0.000 0.915 29 K CB 1.679 34.234 32.500 0.091 0.000 1.047 29 K HN 0.463 nan 8.250 nan 0.000 0.458 30 V N 2.001 122.012 119.914 0.161 0.000 2.483 30 V HA 0.504 4.624 4.120 -0.000 0.000 0.297 30 V C -0.747 175.499 176.094 0.253 0.000 1.027 30 V CA -0.894 61.537 62.300 0.217 0.000 0.855 30 V CB 1.436 33.339 31.823 0.133 0.000 0.995 30 V HN 0.888 nan 8.190 nan 0.000 0.424 31 A N 3.653 126.652 122.820 0.297 0.000 2.343 31 A HA 0.952 5.272 4.320 -0.000 0.000 0.316 31 A C 0.004 177.803 177.584 0.358 0.000 1.104 31 A CA -0.419 51.780 52.037 0.269 0.000 0.768 31 A CB 1.584 20.766 19.000 0.304 0.000 1.213 31 A HN 0.922 nan 8.150 nan 0.000 0.456 32 T N -0.777 113.942 114.554 0.274 0.000 2.906 32 T HA 0.883 5.233 4.350 -0.000 0.000 0.295 32 T C -0.223 174.618 174.700 0.235 0.000 1.075 32 T CA -0.072 62.207 62.100 0.298 0.000 1.005 32 T CB 1.564 70.599 68.868 0.278 0.000 1.136 32 T HN 1.924 nan 8.240 nan 0.000 0.498 33 S N 1.522 117.362 115.700 0.233 0.000 2.615 33 S HA 0.716 5.186 4.470 -0.000 0.000 0.269 33 S C -0.649 174.033 174.600 0.137 0.000 1.161 33 S CA -0.664 57.664 58.200 0.212 0.000 0.817 33 S CB 1.374 64.737 63.200 0.271 0.000 1.131 33 S HN 1.377 nan 8.310 nan 0.000 0.467 34 N N -0.564 118.198 118.700 0.105 0.000 6.832 34 N HA -0.158 4.582 4.740 -0.000 0.000 0.417 34 N C -0.472 175.062 175.510 0.040 0.000 0.938 34 N CA 1.497 54.582 53.050 0.059 0.000 1.317 34 N CB -1.283 37.229 38.487 0.042 0.000 0.820 34 N HN 1.501 nan 8.380 nan 0.000 0.305 35 T N -2.102 112.460 114.554 0.012 0.000 2.910 35 T HA 0.772 5.122 4.350 -0.000 0.000 0.287 35 T C -2.753 171.933 174.700 -0.023 0.000 1.050 35 T CA -1.274 60.825 62.100 -0.001 0.000 1.011 35 T CB 1.616 70.479 68.868 -0.009 0.000 1.195 35 T HN 0.381 nan 8.240 nan 0.000 0.540 36 P HA 0.426 nan 4.420 nan 0.000 0.266 36 P C 0.097 177.335 177.300 -0.104 0.000 1.193 36 P CA 0.297 63.370 63.100 -0.046 0.000 0.770 36 P CB 0.209 31.889 31.700 -0.033 0.000 0.836 37 G N 0.191 108.907 108.800 -0.139 0.000 2.911 37 G HA2 0.161 4.121 3.960 -0.000 0.000 0.299 37 G HA3 0.161 4.121 3.960 -0.000 0.000 0.299 37 G C 0.265 175.016 174.900 -0.249 0.000 1.283 37 G CA -0.301 44.641 45.100 -0.263 0.000 0.805 37 G HN 0.502 nan 8.290 nan 0.000 0.548 38 H N -0.720 118.302 119.070 -0.079 0.000 2.521 38 H HA 0.110 4.665 4.556 -0.000 0.000 0.286 38 H C 0.455 175.952 175.328 0.282 0.000 1.034 38 H CA 1.693 57.803 56.048 0.104 0.000 1.278 38 H CB -0.151 29.719 29.762 0.180 0.000 1.386 38 H HN 0.375 nan 8.280 nan 0.000 0.567 39 F N -2.658 117.392 119.950 0.166 0.000 2.900 39 F HA 0.573 5.100 4.527 -0.000 0.000 0.321 39 F C -1.088 174.754 175.800 0.069 0.000 1.160 39 F CA -1.314 56.750 58.000 0.107 0.000 0.890 39 F CB 0.952 39.947 39.000 -0.008 0.000 1.334 39 F HN -0.354 nan 8.300 nan 0.000 0.459 40 S N 0.029 115.927 115.700 0.330 0.000 2.677 40 S HA 0.985 5.455 4.470 -0.000 0.000 0.304 40 S C -0.971 173.798 174.600 0.282 0.000 1.108 40 S CA -0.372 57.958 58.200 0.217 0.000 0.944 40 S CB 1.744 65.061 63.200 0.195 0.000 1.127 40 S HN 1.141 nan 8.310 nan 0.000 0.511 41 A N 1.115 124.063 122.820 0.214 0.000 2.475 41 A HA 0.920 5.240 4.320 -0.000 0.000 0.301 41 A C -1.279 176.399 177.584 0.158 0.000 1.059 41 A CA -0.829 51.321 52.037 0.188 0.000 0.710 41 A CB 0.923 20.032 19.000 0.181 0.000 1.288 41 A HN 1.071 nan 8.150 nan 0.000 0.408 42 L N -1.062 120.216 121.223 0.092 0.000 2.622 42 L HA 1.032 5.372 4.340 -0.000 0.000 0.258 42 L C -0.336 176.506 176.870 -0.047 0.000 0.996 42 L CA -0.451 54.353 54.840 -0.060 0.000 0.858 42 L CB 1.833 43.834 42.059 -0.097 0.000 1.449 42 L HN 1.437 nan 8.230 nan 0.000 0.411 43 G N 1.102 109.830 108.800 -0.119 0.000 2.601 43 G HA2 0.595 4.555 3.960 -0.000 0.000 0.291 43 G HA3 0.595 4.555 3.960 -0.000 0.000 0.291 43 G C -2.080 172.692 174.900 -0.215 0.000 1.456 43 G CA -0.902 44.111 45.100 -0.146 0.000 0.804 43 G HN 0.641 nan 8.290 nan 0.000 0.499 44 L N 0.622 121.640 121.223 -0.341 0.000 2.313 44 L HA 0.516 4.856 4.340 -0.000 0.000 0.283 44 L C -1.178 175.456 176.870 -0.393 0.000 1.013 44 L CA -0.897 53.828 54.840 -0.193 0.000 0.816 44 L CB 1.665 43.628 42.059 -0.159 0.000 1.236 44 L HN 0.499 nan 8.230 nan 0.000 0.419 45 Y N 3.758 124.093 120.300 0.059 0.000 2.328 45 Y HA 0.545 5.095 4.550 -0.000 0.000 0.336 45 Y C 0.051 175.969 175.900 0.029 0.000 0.960 45 Y CA -0.594 57.538 58.100 0.053 0.000 1.134 45 Y CB 1.473 39.951 38.460 0.030 0.000 1.166 45 Y HN 0.346 nan 8.280 nan 0.000 0.464 46 I N 2.893 123.521 120.570 0.096 0.000 2.404 46 I HA 0.177 4.347 4.170 -0.000 0.000 0.293 46 I C -0.241 175.889 176.117 0.022 0.000 0.992 46 I CA -0.827 60.476 61.300 0.006 0.000 1.149 46 I CB 1.498 39.403 38.000 -0.159 0.000 1.315 46 I HN 0.538 nan 8.210 nan 0.000 0.446 47 D N 6.251 126.649 120.400 -0.004 0.000 2.545 47 D HA 0.430 5.070 4.640 -0.000 0.000 0.227 47 D C -0.328 175.895 176.300 -0.130 0.000 1.150 47 D CA 0.297 54.290 54.000 -0.012 0.000 1.046 47 D CB 0.129 40.899 40.800 -0.049 0.000 1.098 47 D HN 0.636 nan 8.370 nan 0.000 0.502 48 A N 0.731 123.545 122.820 -0.010 0.000 2.524 48 A HA 0.985 5.305 4.320 -0.000 0.000 0.289 48 A C 0.118 177.840 177.584 0.230 0.000 1.248 48 A CA -0.150 51.848 52.037 -0.065 0.000 0.712 48 A CB 1.676 20.624 19.000 -0.086 0.000 1.312 48 A HN 0.536 nan 8.150 nan 0.000 0.441 49 G N -1.880 107.054 108.800 0.224 0.000 2.356 49 G HA2 0.507 4.467 3.960 -0.000 0.000 0.300 49 G HA3 0.507 4.467 3.960 -0.000 0.000 0.300 49 G C 0.552 175.438 174.900 -0.024 0.000 1.331 49 G CA 0.735 45.869 45.100 0.057 0.000 0.905 49 G HN 1.855 nan 8.290 nan 0.000 0.587 50 S N -0.315 115.318 115.700 -0.111 0.000 2.399 50 S HA -0.194 4.276 4.470 -0.000 0.000 0.231 50 S C 2.116 176.579 174.600 -0.228 0.000 1.022 50 S CA 1.703 59.831 58.200 -0.119 0.000 0.983 50 S CB -0.357 62.761 63.200 -0.137 0.000 0.803 50 S HN 1.131 nan 8.310 nan 0.000 0.480 51 R N 0.286 120.517 120.500 -0.450 0.000 2.293 51 R HA 0.027 4.367 4.340 -0.000 0.000 0.219 51 R C 0.720 176.657 176.300 -0.605 0.000 1.091 51 R CA 1.208 56.946 56.100 -0.604 0.000 1.004 51 R CB -0.641 29.150 30.300 -0.849 0.000 0.865 51 R HN 0.491 nan 8.270 nan 0.000 0.469 52 F N 0.966 120.823 119.950 -0.155 0.000 2.695 52 F HA 0.313 4.840 4.527 -0.000 0.000 0.303 52 F C 1.342 177.129 175.800 -0.022 0.000 1.091 52 F CA -0.413 57.500 58.000 -0.145 0.000 1.300 52 F CB 0.337 39.062 39.000 -0.459 0.000 1.071 52 F HN 0.020 nan 8.300 nan 0.000 0.578 53 E N 0.510 120.788 120.200 0.131 0.000 2.274 53 E HA 0.139 4.489 4.350 -0.000 0.000 0.194 53 E C 1.825 178.505 176.600 0.133 0.000 0.996 53 E CA 0.461 56.975 56.400 0.189 0.000 0.840 53 E CB -0.191 29.594 29.700 0.143 0.000 0.772 53 E HN 0.371 nan 8.360 nan 0.000 0.491 54 G N 1.310 110.158 108.800 0.081 0.000 2.578 54 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.275 54 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.275 54 G C 0.419 175.338 174.900 0.033 0.000 1.271 54 G CA 0.456 45.591 45.100 0.059 0.000 0.941 54 G HN 0.279 nan 8.290 nan 0.000 0.564 55 R N -0.268 120.246 120.500 0.023 0.000 2.237 55 R HA 0.184 4.523 4.340 -0.000 0.000 0.195 55 R C 2.456 178.739 176.300 -0.027 0.000 0.956 55 R CA 0.789 56.888 56.100 -0.002 0.000 1.029 55 R CB -0.138 30.162 30.300 -0.001 0.000 0.972 55 R HN 0.573 nan 8.270 nan 0.000 0.493 56 N N 0.303 118.999 118.700 -0.008 0.000 2.331 56 N HA -0.025 4.715 4.740 -0.000 0.000 0.180 56 N C 0.590 176.009 175.510 -0.152 0.000 1.019 56 N CA 0.702 53.714 53.050 -0.063 0.000 0.881 56 N CB 0.279 38.792 38.487 0.045 0.000 0.972 56 N HN 0.089 nan 8.380 nan 0.000 0.435 57 L N 0.600 121.822 121.223 -0.001 0.000 3.017 57 L HA 0.235 4.575 4.340 -0.000 0.000 0.255 57 L C -0.174 176.727 176.870 0.052 0.000 1.247 57 L CA -0.435 54.444 54.840 0.065 0.000 1.038 57 L CB 0.406 42.651 42.059 0.310 0.000 1.380 57 L HN -0.108 nan 8.230 nan 0.000 0.548 58 K N 1.667 122.056 120.400 -0.019 0.000 2.453 58 K HA 0.219 4.539 4.320 -0.000 0.000 0.280 58 K C 1.154 177.735 176.600 -0.031 0.000 1.045 58 K CA 1.020 57.296 56.287 -0.019 0.000 1.059 58 K CB 0.076 32.553 32.500 -0.038 0.000 0.901 58 K HN 0.344 nan 8.250 nan 0.000 0.475 59 G N 2.834 111.620 108.800 -0.022 0.000 2.176 59 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.253 59 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.253 59 G C 1.309 176.184 174.900 -0.041 0.000 0.979 59 G CA 0.196 45.275 45.100 -0.036 0.000 0.641 59 G HN 0.643 nan 8.290 nan 0.000 0.530 60 C N 0.652 119.911 119.300 -0.069 0.000 2.440 60 C HA 0.076 4.536 4.460 -0.000 0.000 0.278 60 C C 3.023 177.799 174.990 -0.357 0.000 1.295 60 C CA 2.015 60.926 59.018 -0.179 0.000 1.738 60 C CB -1.213 26.426 27.740 -0.167 0.000 1.987 60 C HN 0.656 nan 8.230 nan 0.000 0.492 61 T N -0.599 113.738 114.554 -0.363 0.000 2.746 61 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 61 T C 1.823 176.447 174.700 -0.126 0.000 1.039 61 T CA 1.742 63.661 62.100 -0.302 0.000 1.142 61 T CB -0.508 68.297 68.868 -0.105 0.000 0.866 61 T HN 0.628 nan 8.240 nan 0.000 0.444 62 H N 1.236 120.222 119.070 -0.140 0.000 2.293 62 H HA -0.016 4.540 4.556 -0.000 0.000 0.300 62 H C 2.202 177.478 175.328 -0.087 0.000 1.082 62 H CA 1.225 57.213 56.048 -0.100 0.000 1.308 62 H CB -0.367 29.347 29.762 -0.080 0.000 1.375 62 H HN 0.178 nan 8.280 nan 0.000 0.495 63 I N 1.155 121.824 120.570 0.166 0.000 2.163 63 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 63 I C 2.942 179.063 176.117 0.007 0.000 1.085 63 I CA 0.777 62.138 61.300 0.101 0.000 1.347 63 I CB -1.186 36.838 38.000 0.040 0.000 1.044 63 I HN 0.253 nan 8.210 nan 0.000 0.408 64 L N 0.821 122.011 121.223 -0.055 0.000 2.046 64 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 64 L C 2.314 179.170 176.870 -0.023 0.000 1.077 64 L CA 1.948 56.761 54.840 -0.045 0.000 0.747 64 L CB -0.748 41.276 42.059 -0.057 0.000 0.896 64 L HN 0.330 nan 8.230 nan 0.000 0.432 65 D N -0.164 120.186 120.400 -0.083 0.000 2.178 65 D HA -0.227 4.413 4.640 -0.000 0.000 0.202 65 D C 2.144 178.379 176.300 -0.108 0.000 0.974 65 D CA 1.075 54.986 54.000 -0.149 0.000 0.841 65 D CB -0.021 40.642 40.800 -0.228 0.000 0.953 65 D HN -0.056 nan 8.370 nan 0.000 0.478 66 R N -0.946 119.504 120.500 -0.084 0.000 2.276 66 R HA 0.222 4.562 4.340 -0.000 0.000 0.203 66 R C 1.164 177.484 176.300 0.033 0.000 1.017 66 R CA 0.260 56.344 56.100 -0.027 0.000 1.010 66 R CB -0.210 30.104 30.300 0.024 0.000 0.900 66 R HN 0.202 nan 8.270 nan 0.000 0.469 67 L N -0.353 120.887 121.223 0.029 0.000 2.607 67 L HA 0.418 4.758 4.340 -0.000 0.000 0.228 67 L C 0.154 177.061 176.870 0.063 0.000 1.123 67 L CA -0.140 54.725 54.840 0.042 0.000 0.890 67 L CB -0.672 41.396 42.059 0.015 0.000 1.103 67 L HN 0.000 nan 8.230 nan 0.000 0.468 68 A N -1.016 121.853 122.820 0.081 0.000 2.531 68 A HA 0.209 4.529 4.320 -0.000 0.000 0.236 68 A C 0.370 178.085 177.584 0.219 0.000 1.062 68 A CA 0.011 52.101 52.037 0.089 0.000 0.760 68 A CB -0.695 18.367 19.000 0.104 0.000 0.995 68 A HN 0.372 nan 8.150 nan 0.000 0.501 69 F N -0.833 119.196 119.950 0.132 0.000 3.057 69 F HA -0.216 4.311 4.527 -0.000 0.000 0.287 69 F C 1.096 176.918 175.800 0.036 0.000 0.834 69 F CA 1.382 59.417 58.000 0.058 0.000 1.147 69 F CB -1.713 37.331 39.000 0.072 0.000 1.245 69 F HN 0.593 nan 8.300 nan 0.000 0.509 70 K N 0.359 120.843 120.400 0.140 0.000 2.836 70 K HA 0.595 4.915 4.320 -0.000 0.000 0.300 70 K C 0.882 177.513 176.600 0.053 0.000 1.004 70 K CA 0.148 56.491 56.287 0.093 0.000 1.140 70 K CB -0.066 32.472 32.500 0.064 0.000 1.458 70 K HN 0.129 nan 8.250 nan 0.000 0.550 71 S N 0.238 115.955 115.700 0.029 0.000 2.572 71 S HA 0.214 4.684 4.470 -0.000 0.000 0.279 71 S C 0.433 175.027 174.600 -0.011 0.000 1.341 71 S CA -0.437 57.769 58.200 0.010 0.000 1.043 71 S CB 0.238 63.440 63.200 0.004 0.000 0.887 71 S HN 0.593 nan 8.310 nan 0.000 0.516 72 T N -1.060 113.481 114.554 -0.022 0.000 2.858 72 T HA 0.508 4.858 4.350 -0.000 0.000 0.285 72 T C 0.618 175.253 174.700 -0.108 0.000 1.052 72 T CA -0.887 61.186 62.100 -0.045 0.000 1.009 72 T CB 0.972 69.830 68.868 -0.017 0.000 1.241 72 T HN 0.436 nan 8.240 nan 0.000 0.542 73 E N 0.376 120.442 120.200 -0.224 0.000 2.110 73 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 73 E C 1.483 177.830 176.600 -0.423 0.000 0.988 73 E CA 1.700 57.860 56.400 -0.400 0.000 0.804 73 E CB -0.337 28.961 29.700 -0.670 0.000 0.745 73 E HN 0.834 nan 8.360 nan 0.000 0.458 74 H N -1.508 117.494 119.070 -0.114 0.000 2.652 74 H HA 0.273 4.829 4.556 -0.000 0.000 0.274 74 H C -0.309 174.987 175.328 -0.054 0.000 1.021 74 H CA -0.316 55.668 56.048 -0.107 0.000 1.187 74 H CB 1.059 30.729 29.762 -0.153 0.000 1.505 74 H HN -0.190 nan 8.280 nan 0.000 0.530 75 V N 1.730 121.660 119.914 0.028 0.000 2.623 75 V HA 0.093 4.213 4.120 -0.000 0.000 0.304 75 V C -0.197 175.902 176.094 0.009 0.000 1.054 75 V CA -1.122 61.194 62.300 0.026 0.000 0.882 75 V CB 2.403 34.245 31.823 0.032 0.000 1.002 75 V HN 0.196 nan 8.190 nan 0.000 0.424 76 E N 2.366 122.572 120.200 0.010 0.000 2.404 76 E HA 0.131 4.481 4.350 -0.000 0.000 0.261 76 E C 1.351 177.959 176.600 0.014 0.000 1.074 76 E CA 0.672 57.077 56.400 0.008 0.000 0.917 76 E CB 1.354 31.059 29.700 0.008 0.000 0.965 76 E HN 0.826 nan 8.360 nan 0.000 0.433 77 G N 2.561 111.371 108.800 0.017 0.000 2.491 77 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.218 77 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.218 77 G C 1.489 176.406 174.900 0.028 0.000 1.180 77 G CA 1.145 46.261 45.100 0.028 0.000 0.774 77 G HN 0.536 nan 8.290 nan 0.000 0.562 78 R N 0.631 121.144 120.500 0.022 0.000 2.091 78 R HA -0.028 4.311 4.340 -0.000 0.000 0.238 78 R C 2.828 179.136 176.300 0.014 0.000 1.136 78 R CA 1.651 57.763 56.100 0.019 0.000 0.959 78 R CB -0.437 29.872 30.300 0.015 0.000 0.856 78 R HN 0.306 nan 8.270 nan 0.000 0.437 79 A N 0.627 123.454 122.820 0.012 0.000 1.969 79 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 79 A C 2.057 179.642 177.584 0.002 0.000 1.169 79 A CA 1.485 53.526 52.037 0.007 0.000 0.635 79 A CB -0.453 18.552 19.000 0.008 0.000 0.810 79 A HN 0.479 nan 8.150 nan 0.000 0.445 80 M N 0.393 119.998 119.600 0.009 0.000 2.067 80 M HA -0.005 4.474 4.480 -0.000 0.000 0.260 80 M C 2.181 178.466 176.300 -0.025 0.000 1.069 80 M CA 1.981 57.283 55.300 0.004 0.000 1.117 80 M CB -0.724 31.900 32.600 0.040 0.000 1.334 80 M HN 0.334 nan 8.290 nan 0.000 0.407 81 A N -0.373 122.448 122.820 0.002 0.000 1.883 81 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 81 A C 2.087 179.664 177.584 -0.012 0.000 1.186 81 A CA 2.199 54.238 52.037 0.003 0.000 0.624 81 A CB -1.074 17.948 19.000 0.038 0.000 0.822 81 A HN 0.695 nan 8.150 nan 0.000 0.444 82 E N -1.041 119.157 120.200 -0.004 0.000 2.110 82 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 82 E C 2.051 178.642 176.600 -0.016 0.000 0.988 82 E CA 1.625 58.023 56.400 -0.003 0.000 0.804 82 E CB -0.216 29.485 29.700 0.003 0.000 0.745 82 E HN 0.627 nan 8.360 nan 0.000 0.458 83 T N 1.049 115.585 114.554 -0.030 0.000 2.867 83 T HA -0.061 4.289 4.350 -0.000 0.000 0.268 83 T C 1.845 176.501 174.700 -0.074 0.000 1.057 83 T CA 0.599 62.676 62.100 -0.038 0.000 1.136 83 T CB -0.047 68.798 68.868 -0.038 0.000 0.874 83 T HN 0.086 nan 8.240 nan 0.000 0.466 84 L N 0.600 121.740 121.223 -0.138 0.000 2.141 84 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 84 L C 2.695 179.518 176.870 -0.077 0.000 1.094 84 L CA 1.205 55.892 54.840 -0.255 0.000 0.763 84 L CB -0.450 41.249 42.059 -0.601 0.000 0.908 84 L HN 0.329 nan 8.230 nan 0.000 0.437 85 E N 0.282 120.474 120.200 -0.012 0.000 2.028 85 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 85 E C 2.270 178.887 176.600 0.028 0.000 0.988 85 E CA 1.018 57.437 56.400 0.032 0.000 0.799 85 E CB -0.189 29.528 29.700 0.028 0.000 0.755 85 E HN 0.443 nan 8.360 nan 0.000 0.447 86 L N 0.907 122.140 121.223 0.016 0.000 2.349 86 L HA -0.171 4.169 4.340 -0.000 0.000 0.220 86 L C 2.194 179.095 176.870 0.052 0.000 1.130 86 L CA 0.633 55.490 54.840 0.029 0.000 0.791 86 L CB -0.264 41.805 42.059 0.017 0.000 0.918 86 L HN 0.158 nan 8.230 nan 0.000 0.444 87 L N -0.990 120.255 121.223 0.036 0.000 2.558 87 L HA 0.118 4.458 4.340 -0.000 0.000 0.225 87 L C 1.552 178.472 176.870 0.082 0.000 1.128 87 L CA 0.713 55.590 54.840 0.061 0.000 0.868 87 L CB -0.049 42.009 42.059 -0.001 0.000 1.006 87 L HN 0.476 nan 8.230 nan 0.000 0.454 88 G N -1.418 107.425 108.800 0.072 0.000 2.296 88 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.188 88 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.188 88 G C 0.925 175.842 174.900 0.028 0.000 1.000 88 G CA -0.268 44.864 45.100 0.053 0.000 0.672 88 G HN 0.417 nan 8.290 nan 0.000 0.483 89 G N -0.142 108.707 108.800 0.083 0.000 2.166 89 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.260 89 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.260 89 G C 0.207 175.135 174.900 0.048 0.000 0.986 89 G CA 1.076 46.270 45.100 0.156 0.000 0.683 89 G HN 1.470 nan 8.290 nan 0.000 0.527 90 N N 0.367 119.082 118.700 0.026 0.000 3.229 90 N HA 0.515 5.255 4.740 -0.000 0.000 0.275 90 N C -0.340 175.161 175.510 -0.015 0.000 1.225 90 N CA -0.546 52.457 53.050 -0.077 0.000 1.119 90 N CB -0.239 38.170 38.487 -0.130 0.000 1.392 90 N HN 0.647 nan 8.380 nan 0.000 0.520 91 Y N -0.800 119.396 120.300 -0.174 0.000 2.581 91 Y HA 0.668 5.218 4.550 -0.000 0.000 0.345 91 Y C -1.057 174.742 175.900 -0.168 0.000 1.036 91 Y CA -1.220 56.763 58.100 -0.195 0.000 1.042 91 Y CB 0.997 39.227 38.460 -0.382 0.000 1.289 91 Y HN 0.264 nan 8.280 nan 0.000 0.471 92 Q N 1.072 120.871 119.800 -0.001 0.000 2.647 92 Q HA 0.550 4.890 4.340 -0.000 0.000 0.283 92 Q C -2.237 173.836 176.000 0.122 0.000 0.943 92 Q CA -0.904 54.881 55.803 -0.030 0.000 0.813 92 Q CB 1.679 30.330 28.738 -0.144 0.000 1.477 92 Q HN 1.073 nan 8.270 nan 0.000 0.393 93 C N 2.205 121.535 119.300 0.049 0.000 2.345 93 C HA 0.952 5.412 4.460 -0.000 0.000 0.323 93 C C -0.428 174.433 174.990 -0.215 0.000 1.276 93 C CA 0.706 59.603 59.018 -0.201 0.000 1.543 93 C CB 0.632 28.173 27.740 -0.331 0.000 2.211 93 C HN 0.842 nan 8.230 nan 0.000 0.493 94 T N 2.417 116.826 114.554 -0.242 0.000 2.896 94 T HA 0.886 5.236 4.350 -0.000 0.000 0.297 94 T C -0.636 173.953 174.700 -0.185 0.000 1.108 94 T CA -0.420 61.568 62.100 -0.187 0.000 1.004 94 T CB 1.627 70.423 68.868 -0.120 0.000 1.159 94 T HN 1.145 nan 8.240 nan 0.000 0.499 95 S N 0.112 115.720 115.700 -0.154 0.000 2.579 95 S HA 0.878 5.348 4.470 -0.000 0.000 0.272 95 S C -0.420 174.126 174.600 -0.090 0.000 1.141 95 S CA -0.615 57.517 58.200 -0.114 0.000 0.843 95 S CB 1.849 64.975 63.200 -0.123 0.000 1.122 95 S HN 1.085 nan 8.310 nan 0.000 0.468 96 S N -0.361 115.300 115.700 -0.064 0.000 3.359 96 S HA 0.498 4.968 4.470 -0.000 0.000 0.323 96 S C 0.643 175.180 174.600 -0.105 0.000 1.143 96 S CA -0.749 57.407 58.200 -0.073 0.000 0.989 96 S CB 0.629 63.811 63.200 -0.030 0.000 1.375 96 S HN 0.731 nan 8.310 nan 0.000 0.728 97 R N 0.521 120.932 120.500 -0.149 0.000 2.119 97 R HA 0.197 4.537 4.340 -0.000 0.000 0.222 97 R C 0.808 176.937 176.300 -0.286 0.000 1.088 97 R CA 1.089 57.025 56.100 -0.273 0.000 0.984 97 R CB -0.071 29.968 30.300 -0.436 0.000 0.884 97 R HN 0.565 nan 8.270 nan 0.000 0.447 98 E N 0.269 120.388 120.200 -0.135 0.000 2.630 98 E HA 0.070 4.420 4.350 -0.000 0.000 0.218 98 E C -0.541 176.108 176.600 0.082 0.000 0.977 98 E CA -0.215 56.156 56.400 -0.048 0.000 1.038 98 E CB 0.576 30.288 29.700 0.021 0.000 1.051 98 E HN 0.306 nan 8.360 nan 0.000 0.487 99 N N 0.684 119.415 118.700 0.052 0.000 2.525 99 N HA 0.375 5.115 4.740 -0.000 0.000 0.270 99 N C -1.506 174.022 175.510 0.031 0.000 1.321 99 N CA -0.753 52.340 53.050 0.073 0.000 0.797 99 N CB 2.343 40.882 38.487 0.087 0.000 1.529 99 N HN -0.080 nan 8.380 nan 0.000 0.491 100 L N 0.802 122.038 121.223 0.023 0.000 2.596 100 L HA 0.529 4.869 4.340 -0.000 0.000 0.265 100 L C -1.311 175.510 176.870 -0.082 0.000 0.962 100 L CA -0.333 54.477 54.840 -0.050 0.000 0.891 100 L CB 1.241 43.295 42.059 -0.007 0.000 1.248 100 L HN 0.809 nan 8.230 nan 0.000 0.410 101 M N 2.847 122.325 119.600 -0.202 0.000 2.518 101 M HA 0.590 5.070 4.480 -0.000 0.000 0.300 101 M C -1.816 174.244 176.300 -0.399 0.000 1.175 101 M CA -0.716 54.415 55.300 -0.280 0.000 0.890 101 M CB 2.430 34.883 32.600 -0.244 0.000 1.710 101 M HN 0.414 nan 8.290 nan 0.000 0.453 102 Y N 1.274 121.389 120.300 -0.309 0.000 2.345 102 Y HA 0.531 5.081 4.550 -0.000 0.000 0.331 102 Y C -0.451 175.370 175.900 -0.132 0.000 0.959 102 Y CA -0.380 57.657 58.100 -0.105 0.000 1.204 102 Y CB 1.595 39.990 38.460 -0.109 0.000 1.135 102 Y HN 0.660 nan 8.280 nan 0.000 0.477 103 Q N 2.044 121.903 119.800 0.099 0.000 2.451 103 Q HA 0.975 5.315 4.340 -0.000 0.000 0.281 103 Q C -1.280 174.790 176.000 0.116 0.000 1.099 103 Q CA -1.524 54.319 55.803 0.065 0.000 0.806 103 Q CB 3.226 31.989 28.738 0.042 0.000 1.419 103 Q HN 0.695 nan 8.270 nan 0.000 0.427 104 A N 0.727 123.603 122.820 0.094 0.000 2.597 104 A HA 0.713 5.033 4.320 -0.000 0.000 0.292 104 A C -1.441 176.186 177.584 0.071 0.000 1.057 104 A CA -0.598 51.487 52.037 0.080 0.000 0.674 104 A CB 1.610 20.667 19.000 0.095 0.000 1.278 104 A HN 0.698 nan 8.150 nan 0.000 0.416 105 S N -0.183 115.535 115.700 0.029 0.000 2.526 105 S HA 0.895 5.365 4.470 -0.000 0.000 0.293 105 S C -0.312 174.242 174.600 -0.076 0.000 1.092 105 S CA 0.015 58.243 58.200 0.047 0.000 0.980 105 S CB 1.109 64.335 63.200 0.043 0.000 1.048 105 S HN 2.297 nan 8.310 nan 0.000 0.483 106 V N -0.958 118.933 119.914 -0.038 0.000 3.202 106 V HA 0.747 4.867 4.120 -0.000 0.000 0.306 106 V C -1.008 175.023 176.094 -0.104 0.000 1.283 106 V CA -1.446 60.768 62.300 -0.143 0.000 1.065 106 V CB 0.550 32.384 31.823 0.017 0.000 1.079 106 V HN 0.780 nan 8.190 nan 0.000 0.448 107 F N 1.925 121.945 119.950 0.116 0.000 2.506 107 F HA 0.377 4.904 4.527 -0.000 0.000 0.351 107 F C 1.937 177.827 175.800 0.149 0.000 1.136 107 F CA 0.034 58.125 58.000 0.152 0.000 1.298 107 F CB 0.181 39.239 39.000 0.097 0.000 1.145 107 F HN 0.581 nan 8.300 nan 0.000 0.593 108 N N 1.330 120.239 118.700 0.348 0.000 2.091 108 N HA -0.227 4.513 4.740 -0.000 0.000 0.193 108 N C 1.835 177.452 175.510 0.177 0.000 1.021 108 N CA 1.528 54.710 53.050 0.220 0.000 0.862 108 N CB -0.370 38.221 38.487 0.173 0.000 1.018 108 N HN 0.668 nan 8.380 nan 0.000 0.429 109 Q N 0.332 120.239 119.800 0.179 0.000 2.436 109 Q HA -0.054 4.286 4.340 -0.000 0.000 0.209 109 Q C -0.198 175.880 176.000 0.129 0.000 0.965 109 Q CA 1.088 56.967 55.803 0.127 0.000 0.910 109 Q CB 0.055 28.851 28.738 0.096 0.000 0.980 109 Q HN 0.242 nan 8.270 nan 0.000 0.491 110 D N 0.577 121.076 120.400 0.164 0.000 2.363 110 D HA 0.100 4.740 4.640 -0.000 0.000 0.214 110 D C 1.672 178.047 176.300 0.124 0.000 1.093 110 D CA -0.033 54.050 54.000 0.138 0.000 0.837 110 D CB 0.616 41.511 40.800 0.159 0.000 0.948 110 D HN 0.019 nan 8.370 nan 0.000 0.507 111 V N 1.127 121.127 119.914 0.144 0.000 2.252 111 V HA -0.239 3.881 4.120 -0.000 0.000 0.249 111 V C 2.623 178.810 176.094 0.154 0.000 1.056 111 V CA 2.327 64.728 62.300 0.168 0.000 1.022 111 V CB -0.924 31.015 31.823 0.194 0.000 0.641 111 V HN 0.289 nan 8.190 nan 0.000 0.445 112 G N -0.433 108.452 108.800 0.142 0.000 2.446 112 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.217 112 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.217 112 G C 1.601 176.537 174.900 0.060 0.000 1.168 112 G CA 1.284 46.481 45.100 0.162 0.000 0.771 112 G HN 0.464 nan 8.290 nan 0.000 0.551 113 K N -0.220 120.208 120.400 0.047 0.000 2.097 113 K HA 0.028 4.348 4.320 -0.000 0.000 0.206 113 K C 2.336 178.901 176.600 -0.059 0.000 1.049 113 K CA 1.319 57.598 56.287 -0.013 0.000 0.933 113 K CB -0.343 32.168 32.500 0.019 0.000 0.717 113 K HN 0.294 nan 8.250 nan 0.000 0.442 114 M N -0.131 119.461 119.600 -0.013 0.000 2.156 114 M HA 0.022 4.502 4.480 -0.000 0.000 0.264 114 M C 1.663 177.943 176.300 -0.035 0.000 1.067 114 M CA 1.206 56.496 55.300 -0.017 0.000 1.131 114 M CB -0.394 32.221 32.600 0.025 0.000 1.368 114 M HN 0.225 nan 8.290 nan 0.000 0.416 115 L N 0.223 121.429 121.223 -0.029 0.000 2.131 115 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 115 L C 2.344 179.030 176.870 -0.306 0.000 1.092 115 L CA 2.034 56.839 54.840 -0.058 0.000 0.759 115 L CB -0.985 41.141 42.059 0.112 0.000 0.903 115 L HN 0.620 nan 8.230 nan 0.000 0.435 116 Q N -0.762 118.699 119.800 -0.566 0.000 2.046 116 Q HA -0.193 4.147 4.340 -0.000 0.000 0.200 116 Q C 2.228 178.032 176.000 -0.327 0.000 0.975 116 Q CA 1.963 57.263 55.803 -0.838 0.000 0.836 116 Q CB -0.184 28.086 28.738 -0.781 0.000 0.896 116 Q HN 0.615 nan 8.270 nan 0.000 0.428 117 L N -0.086 121.031 121.223 -0.177 0.000 2.046 117 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 117 L C 2.650 179.492 176.870 -0.046 0.000 1.077 117 L CA 1.089 55.897 54.840 -0.053 0.000 0.747 117 L CB -0.368 41.691 42.059 0.001 0.000 0.896 117 L HN 0.374 nan 8.230 nan 0.000 0.432 118 M N -0.270 119.301 119.600 -0.048 0.000 2.086 118 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 118 M C 2.578 178.678 176.300 -0.333 0.000 1.067 118 M CA 2.204 57.400 55.300 -0.173 0.000 1.116 118 M CB -0.391 32.147 32.600 -0.104 0.000 1.348 118 M HN 0.354 nan 8.290 nan 0.000 0.407 119 S N -0.358 115.188 115.700 -0.257 0.000 2.423 119 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 119 S C 1.701 176.141 174.600 -0.266 0.000 1.014 119 S CA 0.832 58.858 58.200 -0.290 0.000 0.965 119 S CB -0.409 62.699 63.200 -0.154 0.000 0.785 119 S HN 0.394 nan 8.310 nan 0.000 0.495 120 E N 1.219 121.342 120.200 -0.127 0.000 2.047 120 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 120 E C 2.238 178.764 176.600 -0.124 0.000 0.987 120 E CA 1.502 57.917 56.400 0.025 0.000 0.799 120 E CB -0.866 28.869 29.700 0.059 0.000 0.752 120 E HN 0.585 nan 8.360 nan 0.000 0.449 121 T N 0.226 114.629 114.554 -0.251 0.000 2.995 121 T HA -0.032 4.318 4.350 -0.000 0.000 0.269 121 T C 1.815 176.279 174.700 -0.394 0.000 1.091 121 T CA 0.576 62.485 62.100 -0.319 0.000 1.128 121 T CB 0.101 68.675 68.868 -0.490 0.000 0.891 121 T HN -0.095 nan 8.240 nan 0.000 0.492 122 V N 0.537 120.138 119.914 -0.520 0.000 2.649 122 V HA 0.151 4.271 4.120 -0.000 0.000 0.248 122 V C 2.542 178.338 176.094 -0.497 0.000 1.054 122 V CA 1.273 63.289 62.300 -0.473 0.000 1.073 122 V CB -0.272 31.180 31.823 -0.617 0.000 0.699 122 V HN 0.339 nan 8.190 nan 0.000 0.463 123 R N -1.455 118.603 120.500 -0.735 0.000 2.195 123 R HA 0.206 4.546 4.340 -0.000 0.000 0.197 123 R C 0.432 176.078 176.300 -1.089 0.000 0.990 123 R CA 0.528 55.952 56.100 -1.125 0.000 1.048 123 R CB 0.337 29.591 30.300 -1.745 0.000 0.997 123 R HN 0.464 nan 8.270 nan 0.000 0.502 124 F N 1.452 121.255 119.950 -0.245 0.000 2.818 124 F HA 0.321 4.848 4.527 -0.000 0.000 0.369 124 F C -2.251 173.427 175.800 -0.204 0.000 1.327 124 F CA -2.634 55.234 58.000 -0.220 0.000 1.211 124 F CB 0.644 39.474 39.000 -0.282 0.000 1.036 124 F HN -0.207 nan 8.300 nan 0.000 0.510 125 P HA 0.076 nan 4.420 nan 0.000 0.271 125 P C 0.367 177.634 177.300 -0.055 0.000 1.218 125 P CA 0.002 63.052 63.100 -0.083 0.000 0.780 125 P CB 1.806 33.428 31.700 -0.129 0.000 0.901 126 K N 1.786 122.161 120.400 -0.041 0.000 2.128 126 K HA 0.141 4.461 4.320 -0.000 0.000 0.202 126 K C 0.659 177.243 176.600 -0.027 0.000 1.050 126 K CA 0.149 56.416 56.287 -0.032 0.000 0.966 126 K CB -0.288 32.196 32.500 -0.027 0.000 0.759 126 K HN 0.464 nan 8.250 nan 0.000 0.454 127 I N 3.221 123.776 120.570 -0.024 0.000 7.277 127 I HA -0.260 3.910 4.170 -0.000 0.000 0.126 127 I C 0.225 176.338 176.117 -0.006 0.000 1.720 127 I CA 0.196 61.486 61.300 -0.016 0.000 2.268 127 I CB -1.866 36.118 38.000 -0.027 0.000 3.404 127 I HN 0.331 nan 8.210 nan 0.000 0.234 128 T N -0.811 113.743 114.554 -0.001 0.000 2.828 128 T HA 0.277 4.626 4.350 -0.000 0.000 0.290 128 T C 1.234 175.939 174.700 0.008 0.000 1.019 128 T CA -0.273 61.829 62.100 0.003 0.000 1.031 128 T CB 1.683 70.553 68.868 0.004 0.000 1.001 128 T HN 0.485 nan 8.240 nan 0.000 0.531 129 E N 0.130 120.335 120.200 0.009 0.000 2.058 129 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 129 E C 2.232 178.841 176.600 0.014 0.000 0.997 129 E CA 1.324 57.731 56.400 0.012 0.000 0.801 129 E CB -0.142 29.564 29.700 0.011 0.000 0.746 129 E HN 0.776 nan 8.360 nan 0.000 0.450 130 Q N 0.805 120.614 119.800 0.014 0.000 2.061 130 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 130 Q C 1.938 177.950 176.000 0.021 0.000 0.984 130 Q CA 1.631 57.444 55.803 0.017 0.000 0.846 130 Q CB 0.064 28.811 28.738 0.016 0.000 0.902 130 Q HN 0.320 nan 8.270 nan 0.000 0.421 131 E N 0.068 120.280 120.200 0.020 0.000 2.110 131 E HA -0.209 4.140 4.350 -0.000 0.000 0.193 131 E C 1.989 178.604 176.600 0.026 0.000 0.988 131 E CA 1.019 57.434 56.400 0.025 0.000 0.804 131 E CB -0.103 29.610 29.700 0.023 0.000 0.745 131 E HN 0.251 nan 8.360 nan 0.000 0.458 132 L N 1.062 122.297 121.223 0.021 0.000 2.072 132 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 132 L C 2.313 179.197 176.870 0.022 0.000 1.079 132 L CA 1.703 56.556 54.840 0.022 0.000 0.752 132 L CB -0.341 41.731 42.059 0.021 0.000 0.906 132 L HN -0.028 nan 8.230 nan 0.000 0.436 133 Q N 0.161 119.973 119.800 0.020 0.000 2.124 133 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 133 Q C 2.105 178.116 176.000 0.019 0.000 0.977 133 Q CA 1.954 57.766 55.803 0.016 0.000 0.850 133 Q CB -0.145 28.602 28.738 0.015 0.000 0.901 133 Q HN 0.651 nan 8.270 nan 0.000 0.429 134 E N -0.745 119.471 120.200 0.027 0.000 2.051 134 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 134 E C 1.995 178.620 176.600 0.042 0.000 0.991 134 E CA 1.183 57.605 56.400 0.037 0.000 0.799 134 E CB 0.034 29.758 29.700 0.041 0.000 0.748 134 E HN 0.328 nan 8.360 nan 0.000 0.449 135 Q N 0.625 120.450 119.800 0.042 0.000 2.167 135 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 135 Q C 1.849 177.870 176.000 0.036 0.000 0.970 135 Q CA 1.133 56.967 55.803 0.052 0.000 0.855 135 Q CB -0.071 28.701 28.738 0.057 0.000 0.911 135 Q HN 0.210 nan 8.270 nan 0.000 0.438 136 K N 0.237 120.645 120.400 0.013 0.000 2.025 136 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 136 K C 2.064 178.632 176.600 -0.053 0.000 1.049 136 K CA 0.800 57.077 56.287 -0.018 0.000 0.933 136 K CB -0.248 32.243 32.500 -0.015 0.000 0.714 136 K HN 0.051 nan 8.250 nan 0.000 0.438 137 L N 0.996 122.192 121.223 -0.045 0.000 2.012 137 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 137 L C 2.266 179.073 176.870 -0.104 0.000 1.073 137 L CA 1.974 56.756 54.840 -0.097 0.000 0.748 137 L CB -0.917 41.127 42.059 -0.024 0.000 0.891 137 L HN 0.098 nan 8.230 nan 0.000 0.431 138 S N -0.851 114.866 115.700 0.028 0.000 2.423 138 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 138 S C 2.061 176.707 174.600 0.076 0.000 1.014 138 S CA 1.013 59.282 58.200 0.116 0.000 0.965 138 S CB -0.439 62.829 63.200 0.114 0.000 0.785 138 S HN 0.666 nan 8.310 nan 0.000 0.495 139 A N 1.096 123.917 122.820 0.001 0.000 1.970 139 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 139 A C 2.001 179.531 177.584 -0.089 0.000 1.170 139 A CA 1.121 53.126 52.037 -0.053 0.000 0.645 139 A CB -0.507 18.408 19.000 -0.142 0.000 0.816 139 A HN 0.688 nan 8.150 nan 0.000 0.447 140 E N -0.901 119.210 120.200 -0.149 0.000 2.058 140 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 140 E C 1.781 178.318 176.600 -0.106 0.000 0.997 140 E CA 1.553 57.842 56.400 -0.185 0.000 0.801 140 E CB -0.378 29.125 29.700 -0.327 0.000 0.746 140 E HN 0.757 nan 8.360 nan 0.000 0.450 141 Y N 1.229 121.537 120.300 0.014 0.000 2.181 141 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 141 Y C 2.349 178.265 175.900 0.027 0.000 1.146 141 Y CA 1.141 59.254 58.100 0.022 0.000 1.164 141 Y CB -0.525 37.946 38.460 0.018 0.000 0.982 141 Y HN 0.117 nan 8.280 nan 0.000 0.515 142 E N 0.034 120.337 120.200 0.171 0.000 2.077 142 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 142 E C 1.937 178.583 176.600 0.078 0.000 0.989 142 E CA 1.296 57.762 56.400 0.110 0.000 0.800 142 E CB -0.245 29.517 29.700 0.103 0.000 0.746 142 E HN 0.349 nan 8.360 nan 0.000 0.452 143 I N 1.850 122.456 120.570 0.059 0.000 2.315 143 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 143 I C 1.758 178.013 176.117 0.229 0.000 1.117 143 I CA 1.182 62.541 61.300 0.099 0.000 1.404 143 I CB -0.218 37.839 38.000 0.095 0.000 1.071 143 I HN 0.070 nan 8.210 nan 0.000 0.419 144 D N 0.391 120.907 120.400 0.194 0.000 2.144 144 D HA -0.174 4.466 4.640 -0.000 0.000 0.199 144 D C 2.126 178.544 176.300 0.198 0.000 0.984 144 D CA 1.136 55.265 54.000 0.214 0.000 0.834 144 D CB -0.142 40.765 40.800 0.179 0.000 0.955 144 D HN 0.456 nan 8.370 nan 0.000 0.465 145 E N 0.028 120.312 120.200 0.140 0.000 2.112 145 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 145 E C 2.233 178.864 176.600 0.052 0.000 0.979 145 E CA 0.207 56.660 56.400 0.089 0.000 0.814 145 E CB 0.233 29.967 29.700 0.057 0.000 0.762 145 E HN 0.038 nan 8.360 nan 0.000 0.460 146 V N 0.251 120.170 119.914 0.008 0.000 2.407 146 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 146 V C 1.327 177.309 176.094 -0.185 0.000 1.055 146 V CA 1.478 63.701 62.300 -0.128 0.000 1.049 146 V CB -0.431 31.250 31.823 -0.237 0.000 0.662 146 V HN 0.430 nan 8.190 nan 0.000 0.455 147 W N -0.876 120.427 121.300 0.004 0.000 3.096 147 W HA 0.088 4.748 4.660 -0.000 0.000 0.241 147 W C 1.940 178.475 176.519 0.025 0.000 1.316 147 W CA 0.391 57.739 57.345 0.005 0.000 1.520 147 W CB -0.261 29.201 29.460 0.004 0.000 1.128 147 W HN 0.243 nan 8.180 nan 0.000 0.707 148 M N -0.687 119.020 119.600 0.179 0.000 2.313 148 M HA 0.121 4.601 4.480 -0.000 0.000 0.273 148 M C 0.025 176.385 176.300 0.099 0.000 1.049 148 M CA 0.511 55.912 55.300 0.169 0.000 1.004 148 M CB 0.377 33.069 32.600 0.152 0.000 1.461 148 M HN -0.336 nan 8.290 nan 0.000 0.514 149 K N 0.964 121.376 120.400 0.020 0.000 2.404 149 K HA 0.283 4.603 4.320 -0.000 0.000 0.257 149 K C -2.175 174.378 176.600 -0.079 0.000 1.026 149 K CA -1.635 54.637 56.287 -0.025 0.000 0.951 149 K CB 1.327 33.796 32.500 -0.052 0.000 1.203 149 K HN -0.232 nan 8.250 nan 0.000 0.446 150 P HA -0.234 nan 4.420 nan 0.000 0.216 150 P C 0.277 177.454 177.300 -0.205 0.000 1.150 150 P CA 1.333 64.294 63.100 -0.232 0.000 0.843 150 P CB 0.297 31.690 31.700 -0.512 0.000 0.787 151 E N -0.972 119.147 120.200 -0.134 0.000 2.265 151 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 151 E C 1.764 178.300 176.600 -0.107 0.000 0.996 151 E CA 0.926 57.270 56.400 -0.093 0.000 0.832 151 E CB -0.905 28.765 29.700 -0.050 0.000 0.756 151 E HN 0.307 nan 8.360 nan 0.000 0.491 152 L N -0.607 120.530 121.223 -0.142 0.000 2.362 152 L HA 0.071 4.411 4.340 -0.000 0.000 0.204 152 L C 2.114 178.832 176.870 -0.254 0.000 1.060 152 L CA 0.122 54.852 54.840 -0.183 0.000 0.827 152 L CB -0.214 41.725 42.059 -0.199 0.000 1.027 152 L HN 0.003 nan 8.230 nan 0.000 0.474 153 V N 0.518 120.262 119.914 -0.283 0.000 2.343 153 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 153 V C 2.557 178.537 176.094 -0.190 0.000 1.051 153 V CA 1.354 63.454 62.300 -0.333 0.000 1.036 153 V CB -0.350 31.342 31.823 -0.218 0.000 0.654 153 V HN 0.278 nan 8.190 nan 0.000 0.451 154 L N -0.219 120.917 121.223 -0.145 0.000 1.994 154 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 154 L C 0.305 177.111 176.870 -0.107 0.000 1.071 154 L CA 2.569 57.347 54.840 -0.104 0.000 0.745 154 L CB -2.710 39.290 42.059 -0.099 0.000 0.892 154 L HN 0.346 nan 8.230 nan 0.000 0.431 155 P HA -0.170 nan 4.420 nan 0.000 0.218 155 P C 1.463 178.751 177.300 -0.020 0.000 1.148 155 P CA 1.100 64.142 63.100 -0.096 0.000 0.822 155 P CB 0.174 31.826 31.700 -0.080 0.000 0.784 156 E N 0.165 120.302 120.200 -0.106 0.000 2.051 156 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 156 E C 1.865 178.453 176.600 -0.021 0.000 0.991 156 E CA 1.242 57.578 56.400 -0.106 0.000 0.799 156 E CB -1.250 28.314 29.700 -0.227 0.000 0.748 156 E HN 0.099 nan 8.360 nan 0.000 0.449 157 L N 0.167 121.373 121.223 -0.029 0.000 2.079 157 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 157 L C 2.564 179.421 176.870 -0.022 0.000 1.081 157 L CA 0.865 55.707 54.840 0.003 0.000 0.752 157 L CB -0.581 41.482 42.059 0.006 0.000 0.896 157 L HN 0.274 nan 8.230 nan 0.000 0.433 158 L N -0.485 120.706 121.223 -0.053 0.000 1.989 158 L HA -0.258 4.082 4.340 -0.000 0.000 0.211 158 L C 2.460 179.261 176.870 -0.116 0.000 1.071 158 L CA 1.986 56.759 54.840 -0.112 0.000 0.749 158 L CB -0.538 41.395 42.059 -0.209 0.000 0.890 158 L HN 0.178 nan 8.230 nan 0.000 0.431 159 H N -1.148 117.882 119.070 -0.068 0.000 2.293 159 H HA -0.124 4.432 4.556 -0.000 0.000 0.300 159 H C 2.146 177.513 175.328 0.064 0.000 1.082 159 H CA 2.123 58.190 56.048 0.032 0.000 1.308 159 H CB -0.678 29.056 29.762 -0.047 0.000 1.375 159 H HN 0.342 nan 8.280 nan 0.000 0.495 160 T N 0.083 114.710 114.554 0.121 0.000 2.699 160 T HA -0.222 4.127 4.350 -0.000 0.000 0.268 160 T C 2.258 176.965 174.700 0.012 0.000 1.036 160 T CA 1.403 63.541 62.100 0.064 0.000 1.147 160 T CB -0.486 68.406 68.868 0.040 0.000 0.862 160 T HN 0.506 nan 8.240 nan 0.000 0.446 161 A N 1.046 123.842 122.820 -0.040 0.000 1.930 161 A HA 0.426 4.746 4.320 -0.000 0.000 0.215 161 A C 2.611 180.066 177.584 -0.215 0.000 1.176 161 A CA 1.314 53.288 52.037 -0.104 0.000 0.632 161 A CB -0.899 18.038 19.000 -0.104 0.000 0.819 161 A HN 0.480 nan 8.150 nan 0.000 0.445 162 A N -1.592 121.063 122.820 -0.275 0.000 2.019 162 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 162 A C 1.405 178.420 177.584 -0.948 0.000 1.164 162 A CA 1.384 53.045 52.037 -0.627 0.000 0.644 162 A CB -0.557 18.140 19.000 -0.505 0.000 0.805 162 A HN 0.631 nan 8.150 nan 0.000 0.449 163 Y N -1.210 118.975 120.300 -0.192 0.000 2.706 163 Y HA 0.282 4.832 4.550 -0.000 0.000 0.255 163 Y C 0.923 176.757 175.900 -0.110 0.000 1.163 163 Y CA -0.028 57.986 58.100 -0.143 0.000 1.174 163 Y CB -0.040 38.376 38.460 -0.074 0.000 1.200 163 Y HN 0.171 nan 8.280 nan 0.000 0.544 164 S N 0.577 116.257 115.700 -0.033 0.000 3.559 164 S HA -0.211 4.259 4.470 -0.000 0.000 0.369 164 S C 1.585 176.192 174.600 0.013 0.000 0.987 164 S CA 1.012 59.198 58.200 -0.023 0.000 1.187 164 S CB -1.639 61.539 63.200 -0.036 0.000 0.914 164 S HN 1.232 nan 8.310 nan 0.000 0.480 165 G N -0.466 108.352 108.800 0.031 0.000 2.166 165 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 165 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 165 G C -0.238 174.666 174.900 0.007 0.000 0.986 165 G CA 0.697 45.808 45.100 0.019 0.000 0.683 165 G HN 0.646 nan 8.290 nan 0.000 0.527 166 E N -0.084 120.129 120.200 0.022 0.000 2.221 166 E HA 0.552 4.902 4.350 -0.000 0.000 0.268 166 E C 1.404 177.950 176.600 -0.090 0.000 0.933 166 E CA 0.293 56.684 56.400 -0.015 0.000 0.809 166 E CB 1.619 31.326 29.700 0.011 0.000 1.190 166 E HN 0.845 nan 8.360 nan 0.000 0.406 167 T N -0.418 114.049 114.554 -0.146 0.000 13.579 167 T HA -0.386 3.964 4.350 -0.000 0.000 0.417 167 T C 1.543 175.997 174.700 -0.410 0.000 1.443 167 T CA 1.784 63.718 62.100 -0.278 0.000 2.337 167 T CB -1.252 67.450 68.868 -0.276 0.000 2.774 167 T HN 0.474 nan 8.240 nan 0.000 0.496 168 L N 2.157 123.005 121.223 -0.625 0.000 2.450 168 L HA 0.203 4.542 4.340 -0.000 0.000 0.224 168 L C 2.757 179.386 176.870 -0.403 0.000 1.149 168 L CA 1.356 55.749 54.840 -0.745 0.000 0.816 168 L CB -0.686 40.651 42.059 -1.205 0.000 0.932 168 L HN 0.862 nan 8.230 nan 0.000 0.449 169 G N -1.778 106.898 108.800 -0.206 0.000 3.277 169 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.243 169 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.243 169 G C 0.455 175.342 174.900 -0.021 0.000 1.107 169 G CA -0.122 45.013 45.100 0.058 0.000 0.771 169 G HN 0.131 nan 8.290 nan 0.000 0.544 170 S N 1.618 117.257 115.700 -0.102 0.000 2.531 170 S HA 0.380 4.850 4.470 -0.000 0.000 0.279 170 S C -2.273 172.276 174.600 -0.086 0.000 1.305 170 S CA -1.113 57.037 58.200 -0.083 0.000 1.058 170 S CB 0.779 63.914 63.200 -0.108 0.000 0.899 170 S HN -0.010 nan 8.310 nan 0.000 0.493 171 P HA -0.085 nan 4.420 nan 0.000 0.259 171 P C 0.352 177.604 177.300 -0.081 0.000 1.155 171 P CA 0.143 63.217 63.100 -0.044 0.000 0.759 171 P CB 0.303 32.003 31.700 -0.001 0.000 0.753 172 L N 5.283 126.436 121.223 -0.117 0.000 2.307 172 L HA 0.208 4.548 4.340 -0.000 0.000 0.211 172 L C 0.625 177.443 176.870 -0.087 0.000 1.099 172 L CA 1.118 55.878 54.840 -0.132 0.000 0.816 172 L CB -0.118 41.821 42.059 -0.199 0.000 0.952 172 L HN 0.236 nan 8.230 nan 0.000 0.455 173 I N 0.302 120.816 120.570 -0.093 0.000 2.312 173 I HA 0.121 4.291 4.170 -0.000 0.000 0.290 173 I C -0.061 176.049 176.117 -0.012 0.000 1.008 173 I CA -0.632 60.619 61.300 -0.081 0.000 1.226 173 I CB 0.891 38.780 38.000 -0.185 0.000 1.371 173 I HN 0.005 nan 8.210 nan 0.000 0.468 174 C N 9.007 128.281 119.300 -0.043 0.000 2.648 174 C HA 0.238 4.698 4.460 -0.000 0.000 0.419 174 C C -1.858 173.145 174.990 0.021 0.000 1.352 174 C CA -1.121 57.877 59.018 -0.034 0.000 1.816 174 C CB -0.301 27.378 27.740 -0.101 0.000 2.598 174 C HN 0.514 nan 8.230 nan 0.000 0.598 175 P HA 0.067 nan 4.420 nan 0.000 0.264 175 P C 0.709 178.010 177.300 0.002 0.000 1.183 175 P CA 0.372 63.494 63.100 0.037 0.000 0.763 175 P CB 0.319 32.021 31.700 0.004 0.000 0.807 176 R N 3.052 123.552 120.500 0.001 0.000 2.083 176 R HA -0.134 4.206 4.340 -0.000 0.000 0.237 176 R C 2.157 178.428 176.300 -0.048 0.000 1.137 176 R CA 2.050 58.133 56.100 -0.029 0.000 0.951 176 R CB -1.003 29.275 30.300 -0.037 0.000 0.851 176 R HN 0.689 nan 8.270 nan 0.000 0.434 177 G N -0.037 108.735 108.800 -0.048 0.000 2.625 177 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.214 177 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.214 177 G C 1.221 176.098 174.900 -0.038 0.000 1.132 177 G CA 0.165 45.238 45.100 -0.045 0.000 0.782 177 G HN 0.237 nan 8.290 nan 0.000 0.538 178 L N -0.347 120.852 121.223 -0.040 0.000 2.513 178 L HA 0.297 4.636 4.340 -0.000 0.000 0.222 178 L C 2.475 179.321 176.870 -0.039 0.000 1.096 178 L CA -0.102 54.714 54.840 -0.040 0.000 0.857 178 L CB -0.015 42.017 42.059 -0.045 0.000 1.026 178 L HN 0.161 nan 8.230 nan 0.000 0.469 179 I N 0.961 121.503 120.570 -0.047 0.000 2.226 179 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 179 I C -0.420 175.680 176.117 -0.028 0.000 1.100 179 I CA 1.472 62.742 61.300 -0.050 0.000 1.374 179 I CB -1.049 36.905 38.000 -0.077 0.000 1.057 179 I HN 0.205 nan 8.210 nan 0.000 0.413 180 P HA -0.117 nan 4.420 nan 0.000 0.222 180 P C 1.328 178.639 177.300 0.019 0.000 1.147 180 P CA 1.315 64.409 63.100 -0.010 0.000 0.790 180 P CB -0.075 31.613 31.700 -0.019 0.000 0.780 181 S N -1.813 113.903 115.700 0.026 0.000 2.605 181 S HA 0.128 4.598 4.470 -0.000 0.000 0.217 181 S C 0.683 175.362 174.600 0.133 0.000 0.958 181 S CA -0.301 57.941 58.200 0.072 0.000 0.919 181 S CB -0.985 62.247 63.200 0.055 0.000 0.780 181 S HN 0.010 nan 8.310 nan 0.000 0.507 182 I N 3.965 124.591 120.570 0.093 0.000 2.421 182 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 182 I C 0.608 176.830 176.117 0.176 0.000 1.089 182 I CA -0.233 61.151 61.300 0.140 0.000 1.354 182 I CB 0.458 38.494 38.000 0.061 0.000 1.413 182 I HN 0.370 nan 8.210 nan 0.000 0.513 183 S N 5.210 121.085 115.700 0.291 0.000 2.718 183 S HA 0.352 4.821 4.470 -0.000 0.000 0.300 183 S C 0.829 175.513 174.600 0.140 0.000 1.117 183 S CA -0.920 57.389 58.200 0.182 0.000 1.002 183 S CB 2.078 65.374 63.200 0.160 0.000 1.092 183 S HN 0.659 nan 8.310 nan 0.000 0.542 184 K N -0.411 120.039 120.400 0.083 0.000 2.147 184 K HA -0.172 4.148 4.320 -0.000 0.000 0.205 184 K C 1.855 178.475 176.600 0.034 0.000 1.049 184 K CA 1.342 57.658 56.287 0.048 0.000 0.936 184 K CB -0.482 32.037 32.500 0.031 0.000 0.722 184 K HN 0.734 nan 8.250 nan 0.000 0.446 185 Y N 0.123 120.368 120.300 -0.091 0.000 2.128 185 Y HA -0.313 4.237 4.550 -0.000 0.000 0.284 185 Y C 1.545 177.347 175.900 -0.163 0.000 1.154 185 Y CA 1.882 59.874 58.100 -0.179 0.000 1.149 185 Y CB -0.282 37.980 38.460 -0.330 0.000 0.976 185 Y HN 0.084 nan 8.280 nan 0.000 0.505 186 Y N -0.046 120.273 120.300 0.031 0.000 2.293 186 Y HA -0.168 4.382 4.550 -0.000 0.000 0.291 186 Y C 2.307 178.192 175.900 -0.026 0.000 1.137 186 Y CA 1.315 59.398 58.100 -0.029 0.000 1.202 186 Y CB -0.663 37.867 38.460 0.117 0.000 0.990 186 Y HN 0.147 nan 8.280 nan 0.000 0.537 187 L N -0.907 120.388 121.223 0.121 0.000 2.093 187 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 187 L C 2.095 178.976 176.870 0.018 0.000 1.085 187 L CA 1.112 55.990 54.840 0.063 0.000 0.755 187 L CB -0.600 41.466 42.059 0.013 0.000 0.904 187 L HN 0.249 nan 8.230 nan 0.000 0.435 188 L N -0.597 120.583 121.223 -0.072 0.000 2.156 188 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 188 L C 2.127 178.920 176.870 -0.128 0.000 1.095 188 L CA 0.933 55.706 54.840 -0.110 0.000 0.770 188 L CB -0.427 41.550 42.059 -0.137 0.000 0.914 188 L HN 0.262 nan 8.230 nan 0.000 0.439 189 D N -0.501 119.771 120.400 -0.212 0.000 2.097 189 D HA -0.273 4.367 4.640 -0.000 0.000 0.195 189 D C 2.080 178.379 176.300 -0.003 0.000 0.989 189 D CA 1.249 55.141 54.000 -0.179 0.000 0.827 189 D CB -0.044 40.621 40.800 -0.224 0.000 0.966 189 D HN 0.238 nan 8.370 nan 0.000 0.456 190 Y N 1.326 121.640 120.300 0.023 0.000 2.114 190 Y HA -0.149 4.401 4.550 -0.000 0.000 0.284 190 Y C 2.276 178.289 175.900 0.189 0.000 1.143 190 Y CA 1.858 60.073 58.100 0.190 0.000 1.135 190 Y CB -0.154 38.463 38.460 0.262 0.000 0.980 190 Y HN -0.105 nan 8.280 nan 0.000 0.499 191 R N -0.161 120.533 120.500 0.323 0.000 2.083 191 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 191 R C 1.815 178.177 176.300 0.103 0.000 1.137 191 R CA 1.513 57.699 56.100 0.143 0.000 0.951 191 R CB -0.574 29.608 30.300 -0.197 0.000 0.851 191 R HN 0.376 nan 8.270 nan 0.000 0.434 192 N N 0.822 119.514 118.700 -0.013 0.000 2.364 192 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 192 N C 1.309 176.713 175.510 -0.177 0.000 1.022 192 N CA 1.189 54.199 53.050 -0.067 0.000 0.883 192 N CB 0.034 38.469 38.487 -0.087 0.000 0.965 192 N HN 0.306 nan 8.380 nan 0.000 0.438 193 K N -0.868 119.330 120.400 -0.337 0.000 2.128 193 K HA 0.114 4.434 4.320 -0.000 0.000 0.202 193 K C 0.953 177.058 176.600 -0.825 0.000 1.050 193 K CA 0.785 56.644 56.287 -0.713 0.000 0.966 193 K CB 0.110 31.875 32.500 -1.224 0.000 0.759 193 K HN 0.079 nan 8.250 nan 0.000 0.454 194 F N -1.397 118.485 119.950 -0.113 0.000 2.653 194 F HA 0.159 4.686 4.527 -0.000 0.000 0.288 194 F C 0.280 176.089 175.800 0.015 0.000 1.121 194 F CA -0.438 57.488 58.000 -0.123 0.000 1.384 194 F CB 0.052 38.890 39.000 -0.269 0.000 1.115 194 F HN -0.161 nan 8.300 nan 0.000 0.599 195 Y N 2.458 122.857 120.300 0.165 0.000 2.568 195 Y HA 0.329 4.879 4.550 -0.000 0.000 0.338 195 Y C 0.740 176.741 175.900 0.168 0.000 1.245 195 Y CA -0.893 57.359 58.100 0.254 0.000 1.667 195 Y CB -0.722 37.909 38.460 0.285 0.000 1.568 195 Y HN -0.075 nan 8.280 nan 0.000 0.471 196 T N -0.843 113.675 114.554 -0.060 0.000 2.906 196 T HA 0.336 4.686 4.350 -0.000 0.000 0.295 196 T C -2.128 171.995 174.700 -0.961 0.000 1.061 196 T CA -2.503 59.256 62.100 -0.567 0.000 1.000 196 T CB 2.740 71.365 68.868 -0.403 0.000 1.103 196 T HN 0.057 nan 8.240 nan 0.000 0.486 197 P HA -0.176 nan 4.420 nan 0.000 0.218 197 P C 1.197 178.259 177.300 -0.396 0.000 1.148 197 P CA 1.299 63.812 63.100 -0.978 0.000 0.822 197 P CB 0.144 31.377 31.700 -0.779 0.000 0.784 198 E N -0.211 119.777 120.200 -0.354 0.000 2.478 198 E HA -0.129 4.221 4.350 -0.000 0.000 0.198 198 E C 0.887 177.404 176.600 -0.139 0.000 1.046 198 E CA 0.708 56.992 56.400 -0.193 0.000 0.870 198 E CB -0.906 28.688 29.700 -0.177 0.000 0.818 198 E HN 0.183 nan 8.360 nan 0.000 0.527 199 N N 0.199 118.802 118.700 -0.163 0.000 2.275 199 N HA 0.077 4.817 4.740 -0.000 0.000 0.236 199 N C -1.232 174.252 175.510 -0.044 0.000 1.154 199 N CA 0.013 53.005 53.050 -0.096 0.000 0.866 199 N CB 0.764 39.191 38.487 -0.101 0.000 1.093 199 N HN -0.067 nan 8.380 nan 0.000 0.515 200 T N -0.867 113.674 114.554 -0.022 0.000 2.906 200 T HA 0.534 4.884 4.350 -0.000 0.000 0.295 200 T C -1.067 173.698 174.700 0.107 0.000 1.061 200 T CA -0.524 61.618 62.100 0.071 0.000 1.000 200 T CB 2.345 71.311 68.868 0.163 0.000 1.103 200 T HN -0.294 nan 8.240 nan 0.000 0.486 201 V N 1.590 121.603 119.914 0.165 0.000 2.588 201 V HA 0.802 4.922 4.120 -0.000 0.000 0.304 201 V C -0.433 175.804 176.094 0.239 0.000 1.042 201 V CA -0.918 61.490 62.300 0.181 0.000 0.877 201 V CB 1.777 33.689 31.823 0.148 0.000 0.996 201 V HN 1.109 nan 8.190 nan 0.000 0.425 202 A N 3.717 126.659 122.820 0.202 0.000 2.287 202 A HA 0.943 5.263 4.320 -0.000 0.000 0.317 202 A C -0.083 177.559 177.584 0.097 0.000 1.220 202 A CA -0.160 51.957 52.037 0.134 0.000 0.835 202 A CB 1.063 20.196 19.000 0.221 0.000 1.180 202 A HN 1.349 nan 8.150 nan 0.000 0.500 203 A N 1.979 124.743 122.820 -0.094 0.000 2.374 203 A HA 0.951 5.271 4.320 -0.000 0.000 0.317 203 A C -1.179 176.188 177.584 -0.361 0.000 1.094 203 A CA -0.436 51.590 52.037 -0.019 0.000 0.765 203 A CB 0.823 19.849 19.000 0.043 0.000 1.268 203 A HN 0.792 nan 8.150 nan 0.000 0.438 204 F N 0.120 120.167 119.950 0.161 0.000 2.601 204 F HA 0.598 5.125 4.527 -0.000 0.000 0.309 204 F C -0.322 175.552 175.800 0.124 0.000 1.089 204 F CA -0.894 57.189 58.000 0.138 0.000 0.940 204 F CB 2.358 41.423 39.000 0.109 0.000 1.273 204 F HN 0.296 nan 8.300 nan 0.000 0.450 205 V N 1.322 121.403 119.914 0.279 0.000 2.444 205 V HA 0.659 4.779 4.120 -0.000 0.000 0.294 205 V C 0.359 176.536 176.094 0.139 0.000 1.022 205 V CA -0.331 62.076 62.300 0.179 0.000 0.850 205 V CB 1.137 33.033 31.823 0.121 0.000 0.992 205 V HN 1.078 nan 8.190 nan 0.000 0.426 206 G N 4.240 113.101 108.800 0.100 0.000 2.137 206 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.237 206 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.237 206 G C -0.221 174.720 174.900 0.069 0.000 1.002 206 G CA 0.159 45.290 45.100 0.052 0.000 0.702 206 G HN 0.832 nan 8.290 nan 0.000 0.515 207 V N 0.817 120.787 119.914 0.093 0.000 2.531 207 V HA 0.505 4.625 4.120 -0.000 0.000 0.301 207 V C -1.942 174.152 176.094 0.001 0.000 1.034 207 V CA -1.810 60.515 62.300 0.042 0.000 0.865 207 V CB 2.165 34.010 31.823 0.037 0.000 0.995 207 V HN 0.111 nan 8.190 nan 0.000 0.424 208 P HA 0.047 nan 4.420 nan 0.000 0.264 208 P C 0.610 177.887 177.300 -0.038 0.000 1.183 208 P CA 0.249 63.344 63.100 -0.008 0.000 0.763 208 P CB 0.474 32.166 31.700 -0.014 0.000 0.807 209 H N 2.338 121.357 119.070 -0.085 0.000 2.353 209 H HA -0.219 4.337 4.556 -0.000 0.000 0.298 209 H C 1.786 177.046 175.328 -0.114 0.000 1.103 209 H CA 2.206 58.191 56.048 -0.106 0.000 1.293 209 H CB 0.046 29.754 29.762 -0.089 0.000 1.372 209 H HN 0.444 nan 8.280 nan 0.000 0.501 210 E N 0.337 120.508 120.200 -0.047 0.000 2.058 210 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 210 E C 2.183 178.697 176.600 -0.144 0.000 0.997 210 E CA 1.593 57.944 56.400 -0.083 0.000 0.801 210 E CB -0.122 29.560 29.700 -0.029 0.000 0.746 210 E HN 0.267 nan 8.360 nan 0.000 0.450 211 K N 0.058 120.375 120.400 -0.138 0.000 2.097 211 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 211 K C 1.806 178.257 176.600 -0.249 0.000 1.049 211 K CA 1.458 57.656 56.287 -0.149 0.000 0.933 211 K CB -0.614 31.819 32.500 -0.112 0.000 0.717 211 K HN 0.179 nan 8.250 nan 0.000 0.442 212 A N 0.514 123.087 122.820 -0.410 0.000 1.898 212 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 212 A C 2.185 179.521 177.584 -0.414 0.000 1.181 212 A CA 1.443 53.070 52.037 -0.684 0.000 0.620 212 A CB -0.625 17.794 19.000 -0.969 0.000 0.819 212 A HN 0.316 nan 8.150 nan 0.000 0.442 213 L N -0.941 120.067 121.223 -0.359 0.000 2.083 213 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 213 L C 2.602 179.399 176.870 -0.123 0.000 1.083 213 L CA 1.499 56.209 54.840 -0.217 0.000 0.752 213 L CB -0.503 41.428 42.059 -0.212 0.000 0.899 213 L HN 0.510 nan 8.230 nan 0.000 0.433 214 E N 0.294 120.416 120.200 -0.129 0.000 2.012 214 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 214 E C 2.318 178.873 176.600 -0.076 0.000 1.007 214 E CA 1.342 57.687 56.400 -0.091 0.000 0.816 214 E CB -0.135 29.514 29.700 -0.085 0.000 0.762 214 E HN 0.380 nan 8.360 nan 0.000 0.451 215 L N 0.398 121.589 121.223 -0.054 0.000 2.079 215 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 215 L C 2.634 179.592 176.870 0.148 0.000 1.081 215 L CA 1.257 56.130 54.840 0.055 0.000 0.752 215 L CB -0.600 41.534 42.059 0.126 0.000 0.896 215 L HN 0.225 nan 8.230 nan 0.000 0.433 216 T N -0.359 114.263 114.554 0.114 0.000 2.737 216 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 216 T C 1.846 176.618 174.700 0.120 0.000 1.038 216 T CA 1.395 63.605 62.100 0.183 0.000 1.144 216 T CB -0.524 68.445 68.868 0.169 0.000 0.866 216 T HN 0.560 nan 8.240 nan 0.000 0.434 217 G N 1.260 110.084 108.800 0.040 0.000 2.422 217 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 217 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 217 G C 1.494 176.382 174.900 -0.020 0.000 1.146 217 G CA 1.047 46.159 45.100 0.020 0.000 0.769 217 G HN 0.468 nan 8.290 nan 0.000 0.547 218 K N -0.901 119.432 120.400 -0.112 0.000 2.097 218 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 218 K C 1.833 178.231 176.600 -0.337 0.000 1.050 218 K CA 1.072 57.182 56.287 -0.296 0.000 0.938 218 K CB -0.149 32.034 32.500 -0.528 0.000 0.718 218 K HN 0.436 nan 8.250 nan 0.000 0.442 219 Y N -1.174 119.163 120.300 0.061 0.000 2.498 219 Y HA 0.135 4.685 4.550 -0.000 0.000 0.259 219 Y C 1.171 177.111 175.900 0.066 0.000 1.086 219 Y CA -0.097 58.042 58.100 0.065 0.000 1.287 219 Y CB 0.709 39.203 38.460 0.055 0.000 1.146 219 Y HN -0.020 nan 8.280 nan 0.000 0.523 220 L N -1.456 119.906 121.223 0.232 0.000 2.920 220 L HA 0.378 4.718 4.340 -0.000 0.000 0.257 220 L C 2.185 179.215 176.870 0.266 0.000 1.150 220 L CA 0.524 55.505 54.840 0.236 0.000 0.959 220 L CB -0.919 41.301 42.059 0.269 0.000 1.321 220 L HN 0.197 nan 8.230 nan 0.000 0.555 221 G N 0.869 109.772 108.800 0.172 0.000 2.469 221 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 221 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 221 G C 1.016 176.000 174.900 0.141 0.000 1.150 221 G CA 1.221 46.399 45.100 0.130 0.000 0.763 221 G HN 0.564 nan 8.290 nan 0.000 0.561 222 D N -1.639 118.859 120.400 0.162 0.000 2.328 222 D HA -0.023 4.617 4.640 -0.000 0.000 0.221 222 D C 0.363 176.810 176.300 0.245 0.000 1.072 222 D CA -0.745 53.353 54.000 0.162 0.000 0.850 222 D CB -0.285 40.597 40.800 0.136 0.000 0.922 222 D HN 0.252 nan 8.370 nan 0.000 0.516 223 W N 2.795 124.117 121.300 0.036 0.000 2.251 223 W HA 0.232 4.892 4.660 -0.000 0.000 0.327 223 W C -0.290 176.222 176.519 -0.012 0.000 1.361 223 W CA -0.597 56.749 57.345 0.003 0.000 1.234 223 W CB 0.370 29.816 29.460 -0.024 0.000 1.212 223 W HN -0.093 nan 8.180 nan 0.000 0.557 224 Q N 3.907 123.758 119.800 0.086 0.000 2.345 224 Q HA 0.322 4.661 4.340 -0.000 0.000 0.268 224 Q C -0.256 175.559 176.000 -0.307 0.000 1.054 224 Q CA -0.927 54.807 55.803 -0.116 0.000 0.835 224 Q CB 2.253 30.994 28.738 0.004 0.000 1.339 224 Q HN 0.462 nan 8.270 nan 0.000 0.447 225 S N -0.111 115.342 115.700 -0.411 0.000 2.600 225 S HA 0.106 4.576 4.470 -0.000 0.000 0.265 225 S C 0.917 175.274 174.600 -0.405 0.000 1.325 225 S CA 0.150 58.035 58.200 -0.526 0.000 1.002 225 S CB 0.565 63.334 63.200 -0.718 0.000 0.921 225 S HN 0.751 nan 8.310 nan 0.000 0.554 226 T N -0.291 114.072 114.554 -0.319 0.000 3.069 226 T HA 0.237 4.587 4.350 -0.000 0.000 0.252 226 T C 0.124 174.775 174.700 -0.081 0.000 1.053 226 T CA 0.014 62.027 62.100 -0.145 0.000 0.964 226 T CB -0.476 68.336 68.868 -0.092 0.000 1.005 226 T HN 0.823 nan 8.240 nan 0.000 0.532 227 H N 2.131 121.138 119.070 -0.105 0.000 2.672 227 H HA -0.073 4.483 4.556 -0.000 0.000 0.325 227 H C -2.176 173.091 175.328 -0.100 0.000 1.158 227 H CA 0.635 56.625 56.048 -0.097 0.000 1.134 227 H CB -1.685 28.034 29.762 -0.072 0.000 1.553 227 H HN 0.528 nan 8.280 nan 0.000 0.419 228 P HA 0.237 nan 4.420 nan 0.000 0.274 228 P C -2.358 174.885 177.300 -0.095 0.000 1.256 228 P CA -1.288 61.746 63.100 -0.109 0.000 0.795 228 P CB 0.395 31.967 31.700 -0.213 0.000 1.038 229 P HA 0.224 nan 4.420 nan 0.000 0.276 229 P C -0.485 176.758 177.300 -0.094 0.000 1.243 229 P CA -0.094 62.965 63.100 -0.070 0.000 0.768 229 P CB -0.067 31.602 31.700 -0.051 0.000 0.856 230 I N 2.770 123.302 120.570 -0.062 0.000 2.494 230 I HA 0.061 4.231 4.170 -0.000 0.000 0.289 230 I C 1.229 177.334 176.117 -0.020 0.000 1.106 230 I CA 0.752 62.019 61.300 -0.055 0.000 1.369 230 I CB -0.395 37.587 38.000 -0.029 0.000 1.410 230 I HN 0.356 nan 8.210 nan 0.000 0.523 231 T N 2.058 116.609 114.554 -0.005 0.000 3.355 231 T HA 0.327 4.677 4.350 -0.000 0.000 0.276 231 T C 0.304 175.090 174.700 0.143 0.000 1.003 231 T CA -0.785 61.352 62.100 0.062 0.000 0.943 231 T CB -0.511 68.399 68.868 0.069 0.000 1.158 231 T HN 0.389 nan 8.240 nan 0.000 0.513 232 K N 2.330 122.807 120.400 0.128 0.000 2.266 232 K HA 0.356 4.676 4.320 -0.000 0.000 0.274 232 K C -0.267 176.437 176.600 0.172 0.000 1.090 232 K CA -0.470 55.950 56.287 0.222 0.000 0.925 232 K CB 1.080 33.685 32.500 0.176 0.000 1.225 232 K HN 0.331 nan 8.250 nan 0.000 0.458 233 K N 1.635 122.132 120.400 0.161 0.000 2.174 233 K HA 0.172 4.492 4.320 -0.000 0.000 0.275 233 K C 0.331 176.972 176.600 0.068 0.000 1.015 233 K CA -0.823 55.520 56.287 0.093 0.000 0.933 233 K CB 1.025 33.565 32.500 0.066 0.000 1.025 233 K HN 0.300 nan 8.250 nan 0.000 0.463 234 V N -0.242 119.708 119.914 0.060 0.000 2.924 234 V HA 0.392 4.512 4.120 -0.000 0.000 0.305 234 V C 0.299 176.410 176.094 0.029 0.000 1.073 234 V CA -0.905 61.425 62.300 0.050 0.000 1.098 234 V CB 0.810 32.672 31.823 0.065 0.000 1.000 234 V HN 0.817 nan 8.190 nan 0.000 0.484 235 A N 4.024 126.850 122.820 0.010 0.000 2.409 235 A HA 0.462 4.782 4.320 -0.000 0.000 0.262 235 A C 0.242 177.926 177.584 0.168 0.000 1.113 235 A CA -0.357 51.679 52.037 -0.002 0.000 0.790 235 A CB -0.078 18.849 19.000 -0.123 0.000 1.046 235 A HN 0.955 nan 8.150 nan 0.000 0.496 236 Q N 1.795 121.740 119.800 0.242 0.000 2.413 236 Q HA 0.222 4.562 4.340 -0.000 0.000 0.258 236 Q C -1.438 174.761 176.000 0.332 0.000 1.037 236 Q CA -0.367 55.585 55.803 0.248 0.000 0.764 236 Q CB 1.691 30.514 28.738 0.142 0.000 1.217 236 Q HN 0.753 nan 8.270 nan 0.000 0.490 237 Y N 2.339 122.749 120.300 0.183 0.000 2.526 237 Y HA -0.047 4.503 4.550 -0.000 0.000 0.330 237 Y C 1.122 176.974 175.900 -0.080 0.000 1.156 237 Y CA 1.265 59.305 58.100 -0.100 0.000 1.419 237 Y CB 0.835 39.231 38.460 -0.105 0.000 1.250 237 Y HN 0.674 nan 8.280 nan 0.000 0.540 238 T N 1.739 115.871 114.554 -0.704 0.000 2.987 238 T HA 0.514 4.864 4.350 -0.000 0.000 0.248 238 T C 0.874 175.243 174.700 -0.552 0.000 0.997 238 T CA 0.327 62.177 62.100 -0.418 0.000 1.013 238 T CB -0.473 68.242 68.868 -0.255 0.000 1.077 238 T HN 1.470 nan 8.240 nan 0.000 0.483 239 G N -0.082 108.094 108.800 -1.040 0.000 2.795 239 G HA2 0.411 4.371 3.960 -0.000 0.000 0.664 239 G HA3 0.411 4.371 3.960 -0.000 0.000 0.664 239 G C -0.001 174.696 174.900 -0.339 0.000 1.381 239 G CA -0.540 44.192 45.100 -0.613 0.000 0.853 239 G HN 1.889 nan 8.290 nan 0.000 0.545 240 G N -1.041 107.631 108.800 -0.213 0.000 2.356 240 G HA2 0.598 4.558 3.960 -0.000 0.000 0.300 240 G HA3 0.598 4.558 3.960 -0.000 0.000 0.300 240 G C -1.216 173.612 174.900 -0.120 0.000 1.331 240 G CA 0.274 45.286 45.100 -0.147 0.000 0.905 240 G HN 0.996 nan 8.290 nan 0.000 0.587 241 E N -0.934 119.210 120.200 -0.093 0.000 2.343 241 E HA 0.749 5.099 4.350 -0.000 0.000 0.270 241 E C -1.056 175.498 176.600 -0.077 0.000 0.895 241 E CA -0.812 55.536 56.400 -0.086 0.000 0.767 241 E CB 2.366 32.026 29.700 -0.068 0.000 1.248 241 E HN 0.542 nan 8.360 nan 0.000 0.440 242 S N 0.651 116.300 115.700 -0.085 0.000 2.543 242 S HA 0.455 4.925 4.470 -0.000 0.000 0.274 242 S C -2.063 172.486 174.600 -0.086 0.000 1.149 242 S CA -0.557 57.602 58.200 -0.069 0.000 0.866 242 S CB 1.440 64.609 63.200 -0.051 0.000 1.111 242 S HN 0.600 nan 8.310 nan 0.000 0.457 243 C N 5.605 124.864 119.300 -0.068 0.000 2.642 243 C HA 0.770 5.230 4.460 -0.000 0.000 0.344 243 C C -0.923 174.037 174.990 -0.050 0.000 1.110 243 C CA -0.699 58.273 59.018 -0.078 0.000 1.298 243 C CB -0.488 27.204 27.740 -0.080 0.000 1.827 243 C HN 0.862 nan 8.230 nan 0.000 0.467 244 I N 3.362 123.907 120.570 -0.042 0.000 2.707 244 I HA 0.746 4.916 4.170 -0.000 0.000 0.309 244 I C -2.582 173.504 176.117 -0.051 0.000 1.001 244 I CA -2.553 58.730 61.300 -0.029 0.000 1.129 244 I CB 1.275 39.285 38.000 0.017 0.000 1.308 244 I HN 0.311 nan 8.210 nan 0.000 0.466 245 P HA 0.215 nan 4.420 nan 0.000 0.270 245 P C -2.559 174.698 177.300 -0.071 0.000 1.227 245 P CA -0.703 62.358 63.100 -0.066 0.000 0.788 245 P CB -0.384 31.289 31.700 -0.044 0.000 0.926 246 P HA 0.106 nan 4.420 nan 0.000 0.271 246 P C -0.559 176.751 177.300 0.017 0.000 1.216 246 P CA 0.226 63.294 63.100 -0.053 0.000 0.776 246 P CB 0.256 31.971 31.700 0.026 0.000 0.881 247 A N 5.242 128.102 122.820 0.065 0.000 2.445 247 A HA 0.369 4.689 4.320 -0.000 0.000 0.242 247 A C -1.956 175.574 177.584 -0.090 0.000 1.075 247 A CA -0.940 51.124 52.037 0.046 0.000 0.777 247 A CB -1.302 17.782 19.000 0.140 0.000 1.013 247 A HN 0.432 nan 8.150 nan 0.000 0.493 248 P HA 0.223 nan 4.420 nan 0.000 0.266 248 P C -0.453 176.406 177.300 -0.734 0.000 1.195 248 P CA -0.137 62.753 63.100 -0.350 0.000 0.768 248 P CB 0.473 32.018 31.700 -0.258 0.000 0.838 249 V N 1.313 120.955 119.914 -0.454 0.000 2.372 249 V HA 0.207 4.327 4.120 -0.000 0.000 0.261 249 V C 0.532 176.414 176.094 -0.354 0.000 1.055 249 V CA -0.220 61.844 62.300 -0.394 0.000 0.930 249 V CB -1.287 30.448 31.823 -0.147 0.000 1.031 249 V HN 0.267 nan 8.190 nan 0.000 0.479 250 F N 4.214 124.192 119.950 0.046 0.000 2.199 250 F HA 0.509 5.036 4.527 -0.000 0.000 0.198 250 F C 2.048 177.865 175.800 0.029 0.000 0.830 250 F CA 1.238 59.260 58.000 0.037 0.000 1.070 250 F CB -1.068 37.957 39.000 0.040 0.000 2.119 250 F HN 0.578 nan 8.300 nan 0.000 0.689 251 G N -0.196 108.772 108.800 0.281 0.000 2.722 251 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.201 251 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.201 251 G C 0.839 175.807 174.900 0.112 0.000 1.926 251 G CA 0.362 45.549 45.100 0.144 0.000 0.872 251 G HN 0.526 nan 8.290 nan 0.000 0.581 252 N N 0.070 118.828 118.700 0.097 0.000 2.416 252 N HA 0.070 4.810 4.740 -0.000 0.000 0.177 252 N C 0.968 176.533 175.510 0.092 0.000 1.036 252 N CA -0.045 53.050 53.050 0.075 0.000 0.901 252 N CB -0.469 38.051 38.487 0.056 0.000 0.976 252 N HN 0.287 nan 8.380 nan 0.000 0.444 253 L N 1.390 122.695 121.223 0.137 0.000 2.601 253 L HA 0.097 4.437 4.340 -0.000 0.000 0.277 253 L C -1.878 175.074 176.870 0.137 0.000 1.219 253 L CA -1.179 53.758 54.840 0.162 0.000 0.915 253 L CB -0.238 41.987 42.059 0.276 0.000 1.160 253 L HN 0.048 nan 8.230 nan 0.000 0.494 254 P HA 0.051 nan 4.420 nan 0.000 0.271 254 P C -0.519 176.825 177.300 0.073 0.000 1.216 254 P CA -0.339 62.801 63.100 0.067 0.000 0.771 254 P CB 0.571 32.304 31.700 0.055 0.000 0.864 255 E N 3.204 123.420 120.200 0.027 0.000 2.316 255 E HA 0.271 4.621 4.350 -0.000 0.000 0.275 255 E C -1.095 175.509 176.600 0.006 0.000 1.029 255 E CA -0.244 56.170 56.400 0.024 0.000 0.871 255 E CB 0.203 29.893 29.700 -0.018 0.000 1.022 255 E HN 0.348 nan 8.360 nan 0.000 0.418 256 L N 4.002 125.263 121.223 0.064 0.000 2.388 256 L HA 0.515 4.855 4.340 -0.000 0.000 0.264 256 L C -0.862 176.065 176.870 0.094 0.000 0.998 256 L CA -1.070 53.757 54.840 -0.022 0.000 0.817 256 L CB 1.293 43.292 42.059 -0.100 0.000 1.338 256 L HN 0.553 nan 8.230 nan 0.000 0.414 257 F N 0.405 120.190 119.950 -0.274 0.000 2.483 257 F HA 0.602 5.129 4.527 -0.000 0.000 0.329 257 F C 0.375 175.990 175.800 -0.310 0.000 1.064 257 F CA -0.798 57.125 58.000 -0.128 0.000 0.986 257 F CB 1.433 40.449 39.000 0.028 0.000 1.218 257 F HN 0.317 nan 8.300 nan 0.000 0.484 258 H N 1.639 120.926 119.070 0.362 0.000 2.928 258 H HA 0.671 5.227 4.556 -0.000 0.000 0.371 258 H C -1.213 174.197 175.328 0.136 0.000 1.186 258 H CA -0.756 55.428 56.048 0.226 0.000 1.134 258 H CB 3.280 33.121 29.762 0.131 0.000 1.824 258 H HN 0.583 nan 8.280 nan 0.000 0.554 259 I N 1.025 121.720 120.570 0.209 0.000 2.787 259 I HA 0.166 4.336 4.170 -0.000 0.000 0.294 259 I C -1.659 174.508 176.117 0.083 0.000 1.365 259 I CA -0.314 61.000 61.300 0.023 0.000 1.029 259 I CB 2.511 40.488 38.000 -0.037 0.000 1.313 259 I HN 0.511 nan 8.210 nan 0.000 0.431 260 Q N 7.336 127.164 119.800 0.046 0.000 2.347 260 Q HA 0.640 4.980 4.340 -0.000 0.000 0.271 260 Q C -1.484 174.587 176.000 0.119 0.000 1.064 260 Q CA -0.785 55.112 55.803 0.158 0.000 0.800 260 Q CB 3.293 32.097 28.738 0.110 0.000 1.304 260 Q HN 0.540 nan 8.270 nan 0.000 0.438 261 I N 1.063 121.746 120.570 0.189 0.000 2.499 261 I HA 0.684 4.854 4.170 -0.000 0.000 0.288 261 I C -0.084 176.118 176.117 0.140 0.000 1.048 261 I CA -0.668 60.675 61.300 0.073 0.000 1.062 261 I CB 2.222 40.230 38.000 0.014 0.000 1.238 261 I HN 0.699 nan 8.210 nan 0.000 0.426 262 G N 4.645 113.471 108.800 0.044 0.000 2.725 262 G HA2 0.813 4.773 3.960 -0.000 0.000 0.288 262 G HA3 0.813 4.773 3.960 -0.000 0.000 0.288 262 G C -1.724 173.058 174.900 -0.197 0.000 1.399 262 G CA -0.396 44.782 45.100 0.130 0.000 0.859 262 G HN 0.317 nan 8.290 nan 0.000 0.479 263 F N -0.879 119.190 119.950 0.199 0.000 2.640 263 F HA 0.488 5.015 4.527 -0.000 0.000 0.324 263 F C 0.346 176.019 175.800 -0.212 0.000 1.077 263 F CA -0.835 57.190 58.000 0.043 0.000 0.965 263 F CB 2.192 41.205 39.000 0.022 0.000 1.351 263 F HN 0.529 nan 8.300 nan 0.000 0.487 264 E N 0.753 120.596 120.200 -0.596 0.000 2.415 264 E HA 0.370 4.720 4.350 -0.000 0.000 0.263 264 E C 0.190 176.637 176.600 -0.256 0.000 0.995 264 E CA 0.110 56.053 56.400 -0.761 0.000 0.915 264 E CB 0.632 29.634 29.700 -1.162 0.000 0.951 264 E HN 0.757 nan 8.360 nan 0.000 0.449 265 G N 3.996 112.745 108.800 -0.085 0.000 2.773 265 G HA2 0.469 4.429 3.960 -0.000 0.000 0.186 265 G HA3 0.469 4.429 3.960 -0.000 0.000 0.186 265 G C -0.588 174.243 174.900 -0.114 0.000 1.411 265 G CA -0.637 44.428 45.100 -0.059 0.000 1.054 265 G HN 0.510 nan 8.290 nan 0.000 0.579 266 L N 0.291 121.448 121.223 -0.109 0.000 2.323 266 L HA 0.422 4.762 4.340 -0.000 0.000 0.265 266 L C -2.477 174.381 176.870 -0.020 0.000 1.012 266 L CA -1.973 52.777 54.840 -0.151 0.000 0.820 266 L CB 2.674 44.521 42.059 -0.352 0.000 1.334 266 L HN 0.220 nan 8.230 nan 0.000 0.427 267 P HA 0.067 nan 4.420 nan 0.000 0.275 267 P C 0.874 178.203 177.300 0.048 0.000 1.228 267 P CA -0.490 62.663 63.100 0.088 0.000 0.786 267 P CB 0.451 32.224 31.700 0.122 0.000 0.927 268 I N 0.730 121.321 120.570 0.034 0.000 2.657 268 I HA -0.175 3.995 4.170 -0.000 0.000 0.261 268 I C 0.303 176.398 176.117 -0.037 0.000 1.212 268 I CA 1.835 63.126 61.300 -0.015 0.000 1.453 268 I CB -1.571 36.434 38.000 0.008 0.000 1.092 268 I HN 0.234 nan 8.210 nan 0.000 0.452 269 D N -1.036 119.362 120.400 -0.004 0.000 2.395 269 D HA 0.000 4.640 4.640 -0.000 0.000 0.213 269 D C 1.046 177.306 176.300 -0.066 0.000 1.110 269 D CA -0.326 53.626 54.000 -0.080 0.000 0.835 269 D CB -0.747 39.966 40.800 -0.145 0.000 0.965 269 D HN 0.388 nan 8.370 nan 0.000 0.505 270 H N 1.488 120.492 119.070 -0.110 0.000 2.815 270 H HA 0.078 4.634 4.556 -0.000 0.000 0.350 270 H C -1.503 173.757 175.328 -0.114 0.000 1.080 270 H CA -1.035 54.956 56.048 -0.095 0.000 1.433 270 H CB 1.537 31.248 29.762 -0.085 0.000 1.432 270 H HN -0.200 nan 8.280 nan 0.000 0.592 271 P HA -0.141 nan 4.420 nan 0.000 0.216 271 P C 0.429 177.806 177.300 0.128 0.000 1.150 271 P CA 1.414 64.490 63.100 -0.041 0.000 0.843 271 P CB 0.324 31.933 31.700 -0.151 0.000 0.787 272 D N -1.607 118.991 120.400 0.329 0.000 2.325 272 D HA 0.026 4.666 4.640 -0.000 0.000 0.225 272 D C 1.623 177.913 176.300 -0.017 0.000 1.096 272 D CA -0.109 53.964 54.000 0.122 0.000 0.844 272 D CB -0.315 40.512 40.800 0.045 0.000 0.925 272 D HN 0.068 nan 8.370 nan 0.000 0.513 273 I N 0.503 121.032 120.570 -0.068 0.000 2.286 273 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 273 I C 1.475 177.457 176.117 -0.225 0.000 1.115 273 I CA 1.335 62.508 61.300 -0.212 0.000 1.392 273 I CB -0.395 37.421 38.000 -0.306 0.000 1.065 273 I HN 0.014 nan 8.210 nan 0.000 0.418 274 Y N 0.766 121.063 120.300 -0.006 0.000 2.200 274 Y HA -0.092 4.458 4.550 -0.000 0.000 0.290 274 Y C 2.603 178.490 175.900 -0.023 0.000 1.137 274 Y CA 1.277 59.371 58.100 -0.010 0.000 1.163 274 Y CB -1.119 37.336 38.460 -0.009 0.000 0.988 274 Y HN 0.170 nan 8.280 nan 0.000 0.518 275 A N -0.209 122.674 122.820 0.106 0.000 1.902 275 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 275 A C 2.182 179.740 177.584 -0.045 0.000 1.181 275 A CA 1.569 53.619 52.037 0.022 0.000 0.623 275 A CB -1.029 17.960 19.000 -0.017 0.000 0.818 275 A HN 0.399 nan 8.150 nan 0.000 0.443 276 L N -0.324 120.835 121.223 -0.106 0.000 2.083 276 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 276 L C 2.654 179.519 176.870 -0.008 0.000 1.083 276 L CA 2.014 56.743 54.840 -0.186 0.000 0.752 276 L CB -0.723 41.182 42.059 -0.257 0.000 0.899 276 L HN 0.346 nan 8.230 nan 0.000 0.433 277 A N -1.834 121.004 122.820 0.030 0.000 1.930 277 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 277 A C 2.237 179.878 177.584 0.095 0.000 1.175 277 A CA 2.059 54.146 52.037 0.083 0.000 0.627 277 A CB -1.061 17.980 19.000 0.068 0.000 0.815 277 A HN 0.478 nan 8.150 nan 0.000 0.443 278 T N 0.195 114.796 114.554 0.078 0.000 2.788 278 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 278 T C 1.804 176.549 174.700 0.075 0.000 1.044 278 T CA 1.470 63.613 62.100 0.071 0.000 1.139 278 T CB -0.328 68.573 68.868 0.056 0.000 0.867 278 T HN 0.326 nan 8.240 nan 0.000 0.454 279 L N 1.329 122.592 121.223 0.066 0.000 2.083 279 L HA -0.018 4.322 4.340 -0.000 0.000 0.209 279 L C 2.470 179.466 176.870 0.211 0.000 1.083 279 L CA 1.718 56.616 54.840 0.097 0.000 0.752 279 L CB -0.790 41.258 42.059 -0.018 0.000 0.899 279 L HN 0.119 nan 8.230 nan 0.000 0.433 280 Q N -0.934 119.031 119.800 0.274 0.000 2.119 280 Q HA -0.159 4.181 4.340 -0.000 0.000 0.201 280 Q C 1.887 177.941 176.000 0.091 0.000 0.972 280 Q CA 2.148 58.074 55.803 0.205 0.000 0.847 280 Q CB -0.095 28.738 28.738 0.159 0.000 0.903 280 Q HN 0.573 nan 8.270 nan 0.000 0.433 281 T N 1.739 116.348 114.554 0.091 0.000 2.857 281 T HA -0.056 4.294 4.350 -0.000 0.000 0.266 281 T C 1.878 176.623 174.700 0.074 0.000 1.048 281 T CA 0.841 62.984 62.100 0.071 0.000 1.139 281 T CB -0.155 68.753 68.868 0.068 0.000 0.874 281 T HN 0.274 nan 8.240 nan 0.000 0.455 282 L N 0.457 121.727 121.223 0.079 0.000 2.083 282 L HA 0.014 4.354 4.340 -0.000 0.000 0.209 282 L C 2.074 178.981 176.870 0.061 0.000 1.083 282 L CA 1.281 56.163 54.840 0.071 0.000 0.752 282 L CB -0.205 41.895 42.059 0.069 0.000 0.899 282 L HN 0.254 nan 8.230 nan 0.000 0.433 283 L N -0.892 120.372 121.223 0.069 0.000 2.095 283 L HA 0.072 4.412 4.340 -0.000 0.000 0.204 283 L C 1.948 178.830 176.870 0.019 0.000 1.080 283 L CA 0.643 55.506 54.840 0.037 0.000 0.759 283 L CB -1.149 40.946 42.059 0.060 0.000 0.914 283 L HN 0.524 nan 8.230 nan 0.000 0.439 284 G N -0.057 108.762 108.800 0.032 0.000 2.685 284 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.329 284 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.329 284 G C 0.604 175.493 174.900 -0.017 0.000 1.271 284 G CA 0.424 45.548 45.100 0.039 0.000 1.003 284 G HN 1.080 nan 8.290 nan 0.000 0.549 285 G N -2.822 105.957 108.800 -0.035 0.000 2.498 285 G HA2 0.604 4.564 3.960 -0.000 0.000 0.651 285 G HA3 0.604 4.564 3.960 -0.000 0.000 0.651 285 G C 0.680 175.401 174.900 -0.299 0.000 1.284 285 G CA 0.531 45.446 45.100 -0.308 0.000 0.950 285 G HN 2.993 nan 8.290 nan 0.000 0.511 286 G N -1.957 106.591 108.800 -0.420 0.000 2.356 286 G HA2 0.832 4.792 3.960 -0.000 0.000 0.281 286 G HA3 0.832 4.792 3.960 -0.000 0.000 0.281 286 G C 0.200 175.033 174.900 -0.112 0.000 1.246 286 G CA 0.853 45.866 45.100 -0.144 0.000 0.889 286 G HN 2.191 nan 8.290 nan 0.000 0.486 293 G N -0.637 108.152 108.800 -0.019 0.000 2.588 293 G HA2 0.608 4.568 3.960 -0.000 0.000 0.278 293 G HA3 0.608 4.568 3.960 -0.000 0.000 0.278 293 G C -2.245 172.640 174.900 -0.025 0.000 1.307 293 G CA -0.900 44.188 45.100 -0.020 0.000 1.016 293 G HN 0.568 nan 8.290 nan 0.000 0.503 294 P HA 0.257 nan 4.420 nan 0.000 0.266 294 P C 0.806 178.112 177.300 0.009 0.000 1.193 294 P CA 1.474 64.574 63.100 -0.001 0.000 0.770 294 P CB 0.833 32.547 31.700 0.024 0.000 0.836 295 G N 1.863 110.676 108.800 0.023 0.000 2.176 295 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.232 295 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.232 295 G C 0.897 175.808 174.900 0.017 0.000 0.986 295 G CA 0.415 45.534 45.100 0.032 0.000 0.643 295 G HN 0.654 nan 8.290 nan 0.000 0.522 296 K N 0.370 120.761 120.400 -0.015 0.000 2.365 296 K HA 0.399 4.719 4.320 -0.000 0.000 0.199 296 K C 1.643 178.237 176.600 -0.009 0.000 1.045 296 K CA 1.113 57.388 56.287 -0.020 0.000 0.962 296 K CB 0.041 32.507 32.500 -0.056 0.000 0.759 296 K HN 1.595 nan 8.250 nan 0.000 0.469 297 G N 2.235 111.017 108.800 -0.029 0.000 2.141 297 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.164 297 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.164 297 G C 0.525 175.368 174.900 -0.096 0.000 1.009 297 G CA 0.168 45.280 45.100 0.020 0.000 0.677 297 G HN 0.401 nan 8.290 nan 0.000 0.508 298 M N -1.698 117.667 119.600 -0.391 0.000 2.686 298 M HA 0.351 4.830 4.480 -0.000 0.000 0.246 298 M C 1.052 177.011 176.300 -0.570 0.000 1.096 298 M CA 0.992 55.830 55.300 -0.769 0.000 1.076 298 M CB -0.348 31.748 32.600 -0.840 0.000 1.504 298 M HN 0.135 nan 8.290 nan 0.000 0.524 299 Y N 1.291 121.570 120.300 -0.035 0.000 2.681 299 Y HA 0.344 4.894 4.550 -0.000 0.000 0.267 299 Y C 0.890 176.827 175.900 0.062 0.000 1.166 299 Y CA -1.031 57.082 58.100 0.021 0.000 1.209 299 Y CB -0.065 38.398 38.460 0.005 0.000 1.161 299 Y HN 0.312 nan 8.280 nan 0.000 0.534 300 S N -1.145 114.676 115.700 0.202 0.000 2.616 300 S HA 0.352 4.822 4.470 -0.000 0.000 0.277 300 S C 1.268 175.930 174.600 0.104 0.000 1.234 300 S CA -0.862 57.431 58.200 0.154 0.000 1.028 300 S CB 1.765 65.063 63.200 0.164 0.000 0.988 300 S HN 0.361 nan 8.310 nan 0.000 0.522 301 R N 0.312 120.800 120.500 -0.020 0.000 2.096 301 R HA -0.087 4.253 4.340 -0.000 0.000 0.240 301 R C 1.958 178.171 176.300 -0.145 0.000 1.139 301 R CA 1.815 57.775 56.100 -0.233 0.000 0.952 301 R CB -0.964 29.125 30.300 -0.351 0.000 0.854 301 R HN 0.673 nan 8.270 nan 0.000 0.436 302 L N -0.635 120.547 121.223 -0.070 0.000 2.187 302 L HA -0.221 4.119 4.340 -0.000 0.000 0.213 302 L C 2.183 179.010 176.870 -0.072 0.000 1.100 302 L CA 1.211 56.010 54.840 -0.069 0.000 0.765 302 L CB -0.446 41.546 42.059 -0.112 0.000 0.904 302 L HN 0.194 nan 8.230 nan 0.000 0.437 303 Y N 0.254 120.556 120.300 0.003 0.000 2.153 303 Y HA -0.188 4.362 4.550 -0.000 0.000 0.289 303 Y C 2.872 178.786 175.900 0.023 0.000 1.127 303 Y CA 1.747 59.844 58.100 -0.003 0.000 1.131 303 Y CB -0.650 37.785 38.460 -0.042 0.000 0.995 303 Y HN 0.043 nan 8.280 nan 0.000 0.505 304 T N -1.058 113.644 114.554 0.247 0.000 2.708 304 T HA -0.186 4.164 4.350 -0.000 0.000 0.266 304 T C 1.229 176.131 174.700 0.336 0.000 1.037 304 T CA 2.036 64.299 62.100 0.272 0.000 1.146 304 T CB -0.333 68.745 68.868 0.351 0.000 0.865 304 T HN 0.335 nan 8.240 nan 0.000 0.435 305 H N -0.622 118.483 119.070 0.059 0.000 2.548 305 H HA 0.382 4.938 4.556 -0.000 0.000 0.265 305 H C 1.633 177.017 175.328 0.093 0.000 0.969 305 H CA -0.085 55.997 56.048 0.056 0.000 1.155 305 H CB 0.098 29.909 29.762 0.081 0.000 1.394 305 H HN 0.218 nan 8.280 nan 0.000 0.570 306 V N -0.902 119.136 119.914 0.208 0.000 3.278 306 V HA -0.026 4.094 4.120 -0.000 0.000 0.215 306 V C 1.937 178.111 176.094 0.132 0.000 1.287 306 V CA 0.008 62.459 62.300 0.251 0.000 1.302 306 V CB -0.047 31.873 31.823 0.161 0.000 1.228 306 V HN 0.094 nan 8.190 nan 0.000 0.523 307 L N 1.385 122.626 121.223 0.029 0.000 2.012 307 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 307 L C 2.131 178.986 176.870 -0.026 0.000 1.073 307 L CA 2.027 56.863 54.840 -0.006 0.000 0.748 307 L CB -1.677 40.359 42.059 -0.039 0.000 0.891 307 L HN 0.424 nan 8.230 nan 0.000 0.431 308 N N -0.669 118.029 118.700 -0.004 0.000 2.512 308 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 308 N C 1.774 177.158 175.510 -0.210 0.000 1.073 308 N CA 0.550 53.551 53.050 -0.082 0.000 0.911 308 N CB 0.110 38.582 38.487 -0.025 0.000 0.964 308 N HN 0.438 nan 8.380 nan 0.000 0.447 309 Q N -0.603 119.043 119.800 -0.258 0.000 2.387 309 Q HA 0.129 4.469 4.340 -0.000 0.000 0.208 309 Q C -0.145 175.482 176.000 -0.621 0.000 0.935 309 Q CA 0.756 56.264 55.803 -0.492 0.000 0.891 309 Q CB 0.152 28.471 28.738 -0.698 0.000 1.007 309 Q HN 0.369 nan 8.270 nan 0.000 0.548 310 Y N 0.475 120.612 120.300 -0.273 0.000 2.341 310 Y HA 0.242 4.792 4.550 -0.000 0.000 0.338 310 Y C 0.689 176.338 175.900 -0.419 0.000 0.965 310 Y CA -0.920 56.853 58.100 -0.544 0.000 1.108 310 Y CB 0.779 38.710 38.460 -0.883 0.000 1.180 310 Y HN 0.061 nan 8.280 nan 0.000 0.458 311 Y N -0.150 119.855 120.300 -0.492 0.000 2.442 311 Y HA 0.078 4.628 4.550 -0.000 0.000 0.250 311 Y C 1.131 176.943 175.900 -0.146 0.000 1.113 311 Y CA -0.747 57.217 58.100 -0.227 0.000 1.273 311 Y CB -0.083 38.325 38.460 -0.087 0.000 1.138 311 Y HN 0.585 nan 8.280 nan 0.000 0.522 312 F N 0.835 120.895 119.950 0.184 0.000 2.664 312 F HA 0.174 4.701 4.527 -0.000 0.000 0.297 312 F C 0.135 175.964 175.800 0.049 0.000 1.164 312 F CA -0.810 57.195 58.000 0.008 0.000 1.472 312 F CB -1.337 37.633 39.000 -0.050 0.000 1.108 312 F HN -0.226 nan 8.300 nan 0.000 0.596 313 V N 2.523 122.469 119.914 0.053 0.000 2.348 313 V HA 0.157 4.277 4.120 -0.000 0.000 0.270 313 V C 0.965 177.100 176.094 0.068 0.000 1.037 313 V CA -0.311 62.040 62.300 0.085 0.000 0.872 313 V CB 1.022 32.849 31.823 0.005 0.000 1.002 313 V HN 0.352 nan 8.190 nan 0.000 0.464 314 E N 4.197 124.446 120.200 0.082 0.000 2.447 314 E HA 0.064 4.414 4.350 -0.000 0.000 0.195 314 E C 0.554 177.192 176.600 0.062 0.000 1.028 314 E CA 0.388 56.834 56.400 0.075 0.000 0.876 314 E CB 0.386 30.135 29.700 0.082 0.000 0.885 314 E HN 0.569 nan 8.360 nan 0.000 0.500 315 N N -0.282 118.452 118.700 0.057 0.000 2.431 315 N HA 0.271 5.011 4.740 -0.000 0.000 0.275 315 N C -2.321 173.201 175.510 0.021 0.000 1.091 315 N CA -0.659 52.413 53.050 0.036 0.000 0.922 315 N CB 1.852 40.389 38.487 0.082 0.000 1.666 315 N HN 0.112 nan 8.380 nan 0.000 0.484 316 C N 3.485 122.758 119.300 -0.044 0.000 2.817 316 C HA 0.754 5.214 4.460 -0.000 0.000 0.385 316 C C -1.430 173.505 174.990 -0.092 0.000 1.050 316 C CA -0.330 58.662 59.018 -0.043 0.000 1.245 316 C CB -0.106 27.601 27.740 -0.055 0.000 1.706 316 C HN 0.531 nan 8.230 nan 0.000 0.488 317 V N 5.428 125.321 119.914 -0.035 0.000 3.087 317 V HA 0.910 5.030 4.120 -0.000 0.000 0.306 317 V C -0.172 175.887 176.094 -0.058 0.000 1.187 317 V CA 0.217 62.488 62.300 -0.049 0.000 0.999 317 V CB 2.253 34.068 31.823 -0.014 0.000 1.049 317 V HN 1.425 nan 8.190 nan 0.000 0.431 318 A N 5.117 127.866 122.820 -0.117 0.000 2.301 318 A HA 0.837 5.157 4.320 -0.000 0.000 0.298 318 A C -0.748 176.661 177.584 -0.292 0.000 1.185 318 A CA -0.269 51.598 52.037 -0.283 0.000 0.830 318 A CB 0.204 19.069 19.000 -0.225 0.000 1.112 318 A HN 1.371 nan 8.150 nan 0.000 0.508 319 F N 0.508 120.216 119.950 -0.403 0.000 2.538 319 F HA 0.678 5.205 4.527 -0.000 0.000 0.325 319 F C -0.294 175.100 175.800 -0.677 0.000 1.066 319 F CA -1.678 56.046 58.000 -0.461 0.000 0.946 319 F CB 1.726 40.496 39.000 -0.383 0.000 1.199 319 F HN 0.512 nan 8.300 nan 0.000 0.473 320 N N 1.234 119.779 118.700 -0.257 0.000 2.675 320 N HA 0.138 4.878 4.740 -0.000 0.000 0.254 320 N C -1.646 173.784 175.510 -0.134 0.000 1.224 320 N CA -0.523 52.431 53.050 -0.159 0.000 0.777 320 N CB 0.300 38.768 38.487 -0.031 0.000 1.256 320 N HN 0.698 nan 8.380 nan 0.000 0.531 321 H N 1.187 120.316 119.070 0.099 0.000 2.723 321 H HA 0.154 4.710 4.556 -0.000 0.000 0.294 321 H C -0.495 174.704 175.328 -0.215 0.000 1.079 321 H CA 0.081 56.087 56.048 -0.070 0.000 1.411 321 H CB 1.571 31.406 29.762 0.121 0.000 1.439 321 H HN 0.251 nan 8.280 nan 0.000 0.474 322 S N 4.278 119.768 115.700 -0.350 0.000 2.519 322 S HA 0.519 4.989 4.470 -0.000 0.000 0.309 322 S C -1.138 173.168 174.600 -0.490 0.000 1.100 322 S CA -0.510 57.521 58.200 -0.281 0.000 1.059 322 S CB 0.366 63.494 63.200 -0.119 0.000 1.008 322 S HN 0.411 nan 8.310 nan 0.000 0.478 323 Y N 1.153 121.512 120.300 0.100 0.000 2.805 323 Y HA 0.374 4.924 4.550 -0.000 0.000 0.321 323 Y C 2.011 177.948 175.900 0.061 0.000 1.203 323 Y CA -0.378 57.761 58.100 0.066 0.000 1.165 323 Y CB 0.341 38.823 38.460 0.037 0.000 1.371 323 Y HN 0.652 nan 8.280 nan 0.000 0.564 324 S N -0.096 115.757 115.700 0.254 0.000 2.370 324 S HA -0.202 4.268 4.470 -0.000 0.000 0.226 324 S C 0.702 175.392 174.600 0.149 0.000 1.033 324 S CA 2.079 60.382 58.200 0.171 0.000 1.011 324 S CB -0.435 62.854 63.200 0.149 0.000 0.852 324 S HN 0.820 nan 8.310 nan 0.000 0.457 325 D N -0.791 119.698 120.400 0.149 0.000 2.527 325 D HA 0.442 5.082 4.640 -0.000 0.000 0.224 325 D C 0.282 176.674 176.300 0.154 0.000 1.217 325 D CA -0.029 54.048 54.000 0.129 0.000 0.819 325 D CB 0.331 41.190 40.800 0.099 0.000 1.061 325 D HN 0.351 nan 8.370 nan 0.000 0.515 326 S N -1.865 113.959 115.700 0.206 0.000 2.655 326 S HA 0.718 5.188 4.470 -0.000 0.000 0.266 326 S C -1.343 173.453 174.600 0.327 0.000 1.149 326 S CA -0.177 58.174 58.200 0.252 0.000 0.818 326 S CB 1.189 64.597 63.200 0.347 0.000 1.130 326 S HN 0.516 nan 8.310 nan 0.000 0.476 327 G N 0.275 109.272 108.800 0.327 0.000 2.608 327 G HA2 0.636 4.596 3.960 -0.000 0.000 0.291 327 G HA3 0.636 4.596 3.960 -0.000 0.000 0.291 327 G C -2.137 172.951 174.900 0.314 0.000 1.425 327 G CA -0.563 44.736 45.100 0.333 0.000 0.787 327 G HN 0.752 nan 8.290 nan 0.000 0.484 328 I N 0.186 120.965 120.570 0.349 0.000 2.466 328 I HA 0.515 4.685 4.170 -0.000 0.000 0.289 328 I C -1.484 174.892 176.117 0.433 0.000 1.026 328 I CA -0.630 60.877 61.300 0.345 0.000 1.078 328 I CB 2.285 40.473 38.000 0.312 0.000 1.249 328 I HN 0.398 nan 8.210 nan 0.000 0.429 329 F N 4.633 124.704 119.950 0.201 0.000 2.540 329 F HA 0.874 5.401 4.527 -0.000 0.000 0.317 329 F C 0.145 175.890 175.800 -0.091 0.000 1.104 329 F CA -0.026 57.992 58.000 0.030 0.000 0.913 329 F CB 1.953 40.872 39.000 -0.136 0.000 1.170 329 F HN 0.556 nan 8.300 nan 0.000 0.450 330 G N 4.739 112.865 108.800 -1.124 0.000 2.348 330 G HA2 0.420 4.380 3.960 -0.000 0.000 0.296 330 G HA3 0.420 4.380 3.960 -0.000 0.000 0.296 330 G C -2.119 171.916 174.900 -1.442 0.000 1.258 330 G CA -0.789 43.759 45.100 -0.919 0.000 0.868 330 G HN 0.647 nan 8.290 nan 0.000 0.488 331 I N 0.640 120.802 120.570 -0.680 0.000 2.545 331 I HA 0.563 4.733 4.170 -0.000 0.000 0.292 331 I C -0.206 175.955 176.117 0.073 0.000 1.040 331 I CA -0.829 60.280 61.300 -0.319 0.000 1.068 331 I CB 2.307 40.236 38.000 -0.119 0.000 1.251 331 I HN 0.450 nan 8.210 nan 0.000 0.424 332 S N 6.466 122.274 115.700 0.181 0.000 2.475 332 S HA 0.704 5.174 4.470 -0.000 0.000 0.298 332 S C -1.152 173.532 174.600 0.140 0.000 1.119 332 S CA -0.539 57.809 58.200 0.247 0.000 1.085 332 S CB 1.087 64.460 63.200 0.287 0.000 1.028 332 S HN 0.464 nan 8.310 nan 0.000 0.489 333 L N 3.891 125.205 121.223 0.151 0.000 2.464 333 L HA 0.632 4.972 4.340 -0.000 0.000 0.266 333 L C -1.211 175.767 176.870 0.179 0.000 0.965 333 L CA -0.161 54.759 54.840 0.135 0.000 0.833 333 L CB 1.878 44.005 42.059 0.113 0.000 1.296 333 L HN 0.716 nan 8.230 nan 0.000 0.405 334 S N 3.934 119.728 115.700 0.156 0.000 2.519 334 S HA 0.802 5.272 4.470 -0.000 0.000 0.309 334 S C -0.403 174.247 174.600 0.084 0.000 1.100 334 S CA -0.526 57.747 58.200 0.121 0.000 1.059 334 S CB 1.268 64.576 63.200 0.180 0.000 1.008 334 S HN 0.837 nan 8.310 nan 0.000 0.478 335 C N 1.985 121.319 119.300 0.056 0.000 3.291 335 C HA 0.690 5.150 4.460 -0.000 0.000 0.316 335 C C -0.630 174.345 174.990 -0.026 0.000 1.391 335 C CA -1.237 57.828 59.018 0.079 0.000 1.394 335 C CB -0.144 27.694 27.740 0.162 0.000 1.744 335 C HN 0.645 nan 8.230 nan 0.000 0.461 336 I N 2.049 122.602 120.570 -0.028 0.000 2.692 336 I HA 0.197 4.367 4.170 -0.000 0.000 0.284 336 I C -1.152 174.746 176.117 -0.366 0.000 1.159 336 I CA -2.009 59.198 61.300 -0.156 0.000 1.423 336 I CB 0.032 37.978 38.000 -0.089 0.000 1.380 336 I HN 0.537 nan 8.210 nan 0.000 0.580 337 P HA -0.209 nan 4.420 nan 0.000 0.217 337 P C 1.229 178.128 177.300 -0.668 0.000 1.151 337 P CA 1.463 63.878 63.100 -1.142 0.000 0.849 337 P CB 0.233 31.246 31.700 -1.146 0.000 0.787 338 Q N -0.851 118.686 119.800 -0.439 0.000 2.170 338 Q HA -0.046 4.294 4.340 -0.000 0.000 0.203 338 Q C 2.101 177.871 176.000 -0.384 0.000 0.976 338 Q CA 1.776 57.372 55.803 -0.345 0.000 0.858 338 Q CB -1.302 27.275 28.738 -0.269 0.000 0.907 338 Q HN 0.227 nan 8.270 nan 0.000 0.433 339 A N -0.078 122.483 122.820 -0.433 0.000 2.218 339 A HA 0.317 4.637 4.320 -0.000 0.000 0.209 339 A C 2.086 179.448 177.584 -0.371 0.000 1.168 339 A CA 0.772 52.476 52.037 -0.556 0.000 0.804 339 A CB -0.488 18.060 19.000 -0.754 0.000 0.834 339 A HN 0.299 nan 8.150 nan 0.000 0.482 340 A N 1.471 124.078 122.820 -0.355 0.000 1.915 340 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 340 A C 0.139 177.537 177.584 -0.310 0.000 1.198 340 A CA 2.226 54.024 52.037 -0.398 0.000 0.647 340 A CB -1.791 16.838 19.000 -0.618 0.000 0.825 340 A HN 0.441 nan 8.150 nan 0.000 0.456 341 P HA -0.163 nan 4.420 nan 0.000 0.220 341 P C 1.261 178.503 177.300 -0.097 0.000 1.144 341 P CA 1.501 64.508 63.100 -0.154 0.000 0.800 341 P CB -0.047 31.562 31.700 -0.152 0.000 0.772 342 Q N -1.895 117.821 119.800 -0.140 0.000 2.396 342 Q HA 0.167 4.506 4.340 -0.000 0.000 0.209 342 Q C 2.088 178.060 176.000 -0.047 0.000 0.906 342 Q CA 0.394 56.135 55.803 -0.104 0.000 0.927 342 Q CB -0.270 28.356 28.738 -0.186 0.000 1.069 342 Q HN 0.125 nan 8.270 nan 0.000 0.523 343 A N 0.898 123.721 122.820 0.006 0.000 1.859 343 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 343 A C 2.257 179.882 177.584 0.068 0.000 1.209 343 A CA 2.017 54.106 52.037 0.086 0.000 0.639 343 A CB -1.102 18.046 19.000 0.247 0.000 0.835 343 A HN 0.203 nan 8.150 nan 0.000 0.450 344 V N -0.026 119.953 119.914 0.109 0.000 2.250 344 V HA -0.349 3.771 4.120 -0.000 0.000 0.250 344 V C 2.587 178.660 176.094 -0.035 0.000 1.060 344 V CA 2.718 65.050 62.300 0.053 0.000 1.030 344 V CB -0.928 30.942 31.823 0.080 0.000 0.643 344 V HN 0.813 nan 8.190 nan 0.000 0.445 345 E N -0.025 120.152 120.200 -0.037 0.000 2.085 345 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 345 E C 2.118 178.617 176.600 -0.169 0.000 0.994 345 E CA 1.737 58.072 56.400 -0.108 0.000 0.801 345 E CB -0.146 29.552 29.700 -0.004 0.000 0.743 345 E HN 0.386 nan 8.360 nan 0.000 0.453 346 V N 1.047 120.895 119.914 -0.110 0.000 2.282 346 V HA -0.306 3.814 4.120 -0.000 0.000 0.249 346 V C 2.362 178.395 176.094 -0.103 0.000 1.057 346 V CA 1.995 64.222 62.300 -0.121 0.000 1.032 346 V CB -0.455 31.262 31.823 -0.177 0.000 0.645 346 V HN 0.367 nan 8.190 nan 0.000 0.447 347 I N 0.132 120.646 120.570 -0.094 0.000 2.202 347 I HA -0.198 3.971 4.170 -0.000 0.000 0.242 347 I C 2.688 178.707 176.117 -0.163 0.000 1.091 347 I CA 1.385 62.634 61.300 -0.085 0.000 1.368 347 I CB -0.617 37.362 38.000 -0.035 0.000 1.058 347 I HN 0.283 nan 8.210 nan 0.000 0.410 348 A N 0.164 122.832 122.820 -0.254 0.000 1.908 348 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 348 A C 2.249 179.515 177.584 -0.530 0.000 1.181 348 A CA 1.746 53.529 52.037 -0.423 0.000 0.627 348 A CB -0.667 17.927 19.000 -0.677 0.000 0.818 348 A HN 0.486 nan 8.150 nan 0.000 0.445 349 Q N -1.079 118.411 119.800 -0.516 0.000 2.050 349 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 349 Q C 2.357 178.351 176.000 -0.011 0.000 0.980 349 Q CA 1.519 57.191 55.803 -0.219 0.000 0.840 349 Q CB -0.228 28.475 28.738 -0.058 0.000 0.898 349 Q HN 0.625 nan 8.270 nan 0.000 0.424 350 Q N 0.118 119.897 119.800 -0.035 0.000 2.152 350 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 350 Q C 1.973 177.932 176.000 -0.069 0.000 0.985 350 Q CA 1.557 57.359 55.803 -0.002 0.000 0.863 350 Q CB -0.340 28.388 28.738 -0.017 0.000 0.904 350 Q HN 0.504 nan 8.270 nan 0.000 0.422 351 M N -1.175 118.294 119.600 -0.219 0.000 2.099 351 M HA -0.158 4.322 4.480 -0.000 0.000 0.262 351 M C 2.097 178.281 176.300 -0.193 0.000 1.067 351 M CA 1.356 56.322 55.300 -0.555 0.000 1.124 351 M CB -0.500 31.515 32.600 -0.974 0.000 1.353 351 M HN 0.121 nan 8.290 nan 0.000 0.410 352 Y N 1.958 122.141 120.300 -0.194 0.000 2.128 352 Y HA -0.245 4.305 4.550 -0.000 0.000 0.284 352 Y C 1.918 177.670 175.900 -0.246 0.000 1.154 352 Y CA 1.712 59.693 58.100 -0.200 0.000 1.149 352 Y CB -0.316 38.145 38.460 0.002 0.000 0.976 352 Y HN 0.260 nan 8.280 nan 0.000 0.505 353 N N -0.296 118.439 118.700 0.059 0.000 2.609 353 N HA -0.103 4.637 4.740 -0.000 0.000 0.190 353 N C 1.530 177.043 175.510 0.005 0.000 1.157 353 N CA 1.396 54.467 53.050 0.034 0.000 0.918 353 N CB -0.576 38.008 38.487 0.162 0.000 0.978 353 N HN 0.632 nan 8.380 nan 0.000 0.448 354 T N -3.005 111.583 114.554 0.058 0.000 3.067 354 T HA 0.059 4.409 4.350 -0.000 0.000 0.257 354 T C 1.227 176.075 174.700 0.247 0.000 1.105 354 T CA 0.264 62.476 62.100 0.187 0.000 1.104 354 T CB -0.175 68.892 68.868 0.332 0.000 0.925 354 T HN 0.304 nan 8.240 nan 0.000 0.498 355 F N -0.611 119.293 119.950 -0.076 0.000 2.637 355 F HA 0.729 5.256 4.527 -0.000 0.000 0.342 355 F C 1.603 177.289 175.800 -0.189 0.000 0.822 355 F CA -0.306 57.636 58.000 -0.097 0.000 1.046 355 F CB -0.117 38.849 39.000 -0.056 0.000 0.921 355 F HN 0.085 nan 8.300 nan 0.000 0.649 356 A N 0.497 122.448 122.820 -1.448 0.000 2.307 356 A HA 0.264 4.584 4.320 -0.000 0.000 0.218 356 A C 0.428 177.485 177.584 -0.880 0.000 1.228 356 A CA 0.231 51.523 52.037 -1.242 0.000 0.857 356 A CB -0.749 17.158 19.000 -1.821 0.000 0.897 356 A HN 0.328 nan 8.150 nan 0.000 0.495 357 N N 1.071 119.434 118.700 -0.563 0.000 2.621 357 N HA 0.093 4.833 4.740 -0.000 0.000 0.237 357 N C 0.856 176.314 175.510 -0.087 0.000 0.997 357 N CA -0.203 52.733 53.050 -0.190 0.000 0.918 357 N CB 0.832 39.308 38.487 -0.018 0.000 1.122 357 N HN 0.451 nan 8.380 nan 0.000 0.510 358 K N 1.211 121.574 120.400 -0.060 0.000 2.293 358 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 358 K C -0.162 176.436 176.600 -0.003 0.000 1.045 358 K CA 1.285 57.556 56.287 -0.028 0.000 0.933 358 K CB 0.290 32.780 32.500 -0.015 0.000 0.736 358 K HN 0.327 nan 8.250 nan 0.000 0.463 359 D N 0.244 120.650 120.400 0.010 0.000 2.369 359 D HA 0.120 4.760 4.640 -0.000 0.000 0.211 359 D C 0.797 177.117 176.300 0.034 0.000 1.077 359 D CA 0.304 54.318 54.000 0.022 0.000 0.842 359 D CB 0.498 41.314 40.800 0.026 0.000 0.947 359 D HN 0.209 nan 8.370 nan 0.000 0.509 360 L N 0.665 121.910 121.223 0.036 0.000 3.289 360 L HA 0.218 4.558 4.340 -0.000 0.000 0.291 360 L C 0.362 177.262 176.870 0.051 0.000 1.279 360 L CA -0.424 54.455 54.840 0.065 0.000 1.025 360 L CB 0.822 42.941 42.059 0.100 0.000 1.413 360 L HN -0.285 nan 8.230 nan 0.000 0.593 361 R N 0.811 121.327 120.500 0.027 0.000 2.817 361 R HA 0.116 4.456 4.340 -0.000 0.000 0.264 361 R C -0.282 176.043 176.300 0.042 0.000 1.009 361 R CA 0.393 56.508 56.100 0.024 0.000 1.133 361 R CB 0.226 30.535 30.300 0.016 0.000 1.013 361 R HN 0.126 nan 8.270 nan 0.000 0.453 362 L N 2.462 123.711 121.223 0.044 0.000 2.410 362 L HA 0.181 4.521 4.340 -0.000 0.000 0.273 362 L C 0.824 177.715 176.870 0.036 0.000 1.144 362 L CA -0.201 54.667 54.840 0.046 0.000 0.863 362 L CB 0.587 42.675 42.059 0.048 0.000 1.140 362 L HN 0.762 nan 8.230 nan 0.000 0.463 363 T N -1.561 113.015 114.554 0.036 0.000 2.899 363 T HA 0.174 4.524 4.350 -0.000 0.000 0.284 363 T C 1.020 175.731 174.700 0.019 0.000 1.004 363 T CA -0.867 61.249 62.100 0.027 0.000 1.043 363 T CB 1.600 70.484 68.868 0.028 0.000 1.013 363 T HN 0.536 nan 8.240 nan 0.000 0.518 364 E N 1.178 121.385 120.200 0.012 0.000 2.097 364 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 364 E C 1.692 178.295 176.600 0.005 0.000 1.000 364 E CA 1.684 58.088 56.400 0.007 0.000 0.804 364 E CB -0.226 29.475 29.700 0.002 0.000 0.740 364 E HN 0.713 nan 8.360 nan 0.000 0.454 365 D N 0.641 121.043 120.400 0.002 0.000 2.097 365 D HA -0.142 4.498 4.640 -0.000 0.000 0.195 365 D C 1.919 178.223 176.300 0.006 0.000 0.989 365 D CA 0.895 54.892 54.000 -0.004 0.000 0.827 365 D CB -0.172 40.619 40.800 -0.015 0.000 0.966 365 D HN 0.334 nan 8.370 nan 0.000 0.456 366 E N 0.481 120.693 120.200 0.019 0.000 2.023 366 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 366 E C 2.393 179.011 176.600 0.031 0.000 1.003 366 E CA 0.860 57.279 56.400 0.033 0.000 0.809 366 E CB -0.048 29.677 29.700 0.041 0.000 0.755 366 E HN 0.042 nan 8.360 nan 0.000 0.449 367 V N 0.914 120.844 119.914 0.026 0.000 2.332 367 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 367 V C 2.456 178.561 176.094 0.019 0.000 1.055 367 V CA 1.949 64.264 62.300 0.024 0.000 1.038 367 V CB -0.489 31.346 31.823 0.019 0.000 0.651 367 V HN 0.270 nan 8.190 nan 0.000 0.450 368 S N -0.501 115.206 115.700 0.012 0.000 2.368 368 S HA -0.247 4.223 4.470 -0.000 0.000 0.225 368 S C 2.222 176.829 174.600 0.011 0.000 1.030 368 S CA 1.938 60.142 58.200 0.006 0.000 0.999 368 S CB -0.281 62.918 63.200 -0.001 0.000 0.844 368 S HN 0.576 nan 8.310 nan 0.000 0.459 369 R N 0.469 120.977 120.500 0.014 0.000 2.073 369 R HA -0.007 4.333 4.340 -0.000 0.000 0.234 369 R C 2.425 178.746 176.300 0.035 0.000 1.134 369 R CA 1.424 57.538 56.100 0.023 0.000 0.952 369 R CB -0.759 29.557 30.300 0.027 0.000 0.850 369 R HN 0.441 nan 8.270 nan 0.000 0.433 370 A N 1.193 124.037 122.820 0.041 0.000 1.908 370 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 370 A C 2.022 179.631 177.584 0.042 0.000 1.181 370 A CA 1.756 53.822 52.037 0.049 0.000 0.627 370 A CB -0.396 18.635 19.000 0.052 0.000 0.818 370 A HN 0.374 nan 8.150 nan 0.000 0.445 371 K N -0.337 120.082 120.400 0.032 0.000 2.009 371 K HA -0.151 4.169 4.320 -0.000 0.000 0.210 371 K C 1.841 178.454 176.600 0.021 0.000 1.049 371 K CA 1.546 57.848 56.287 0.025 0.000 0.929 371 K CB -0.255 32.252 32.500 0.012 0.000 0.714 371 K HN 0.412 nan 8.250 nan 0.000 0.440 372 N N 1.097 119.808 118.700 0.018 0.000 2.166 372 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 372 N C 1.689 177.214 175.510 0.024 0.000 1.019 372 N CA 1.219 54.279 53.050 0.016 0.000 0.856 372 N CB -0.079 38.416 38.487 0.012 0.000 0.993 372 N HN 0.341 nan 8.380 nan 0.000 0.426 373 Q N -0.114 119.706 119.800 0.033 0.000 2.230 373 Q HA -0.035 4.305 4.340 -0.000 0.000 0.202 373 Q C 1.889 177.913 176.000 0.041 0.000 0.963 373 Q CA 0.458 56.285 55.803 0.039 0.000 0.866 373 Q CB 0.007 28.775 28.738 0.050 0.000 0.931 373 Q HN 0.227 nan 8.270 nan 0.000 0.452 374 L N 1.161 122.410 121.223 0.043 0.000 2.023 374 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 374 L C 1.917 178.814 176.870 0.044 0.000 1.073 374 L CA 1.796 56.667 54.840 0.051 0.000 0.745 374 L CB -0.251 41.845 42.059 0.063 0.000 0.900 374 L HN -0.079 nan 8.230 nan 0.000 0.435 375 K N -0.787 119.631 120.400 0.031 0.000 2.044 375 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 375 K C 2.338 178.950 176.600 0.021 0.000 1.049 375 K CA 1.708 58.007 56.287 0.019 0.000 0.927 375 K CB -0.508 31.994 32.500 0.003 0.000 0.713 375 K HN 0.404 nan 8.250 nan 0.000 0.443 376 S N 0.897 116.610 115.700 0.023 0.000 2.353 376 S HA -0.174 4.296 4.470 -0.000 0.000 0.222 376 S C 2.150 176.766 174.600 0.026 0.000 1.035 376 S CA 2.099 60.312 58.200 0.023 0.000 1.025 376 S CB -0.303 62.912 63.200 0.024 0.000 0.902 376 S HN 0.482 nan 8.310 nan 0.000 0.440 377 S N 1.325 117.044 115.700 0.031 0.000 2.402 377 S HA 0.010 4.480 4.470 -0.000 0.000 0.229 377 S C 1.933 176.552 174.600 0.032 0.000 1.021 377 S CA 1.107 59.325 58.200 0.032 0.000 0.974 377 S CB -0.784 62.437 63.200 0.034 0.000 0.800 377 S HN 0.519 nan 8.310 nan 0.000 0.484 378 L N 0.742 121.987 121.223 0.035 0.000 1.988 378 L HA -0.025 4.315 4.340 -0.000 0.000 0.207 378 L C 2.768 179.655 176.870 0.029 0.000 1.071 378 L CA 1.406 56.268 54.840 0.037 0.000 0.744 378 L CB -0.709 41.379 42.059 0.048 0.000 0.893 378 L HN 0.298 nan 8.230 nan 0.000 0.433 379 L N -0.911 120.327 121.223 0.025 0.000 2.042 379 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 379 L C 2.675 179.558 176.870 0.021 0.000 1.076 379 L CA 1.459 56.311 54.840 0.019 0.000 0.749 379 L CB -0.375 41.692 42.059 0.014 0.000 0.893 379 L HN 0.349 nan 8.230 nan 0.000 0.432 380 M N -1.110 118.504 119.600 0.023 0.000 2.229 380 M HA -0.189 4.291 4.480 -0.000 0.000 0.264 380 M C 1.986 178.303 176.300 0.027 0.000 1.063 380 M CA 1.438 56.752 55.300 0.024 0.000 1.114 380 M CB -0.490 32.125 32.600 0.024 0.000 1.387 380 M HN 0.321 nan 8.290 nan 0.000 0.420 381 N N 0.544 119.260 118.700 0.028 0.000 2.216 381 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 381 N C 1.296 176.825 175.510 0.031 0.000 1.017 381 N CA 0.884 53.951 53.050 0.029 0.000 0.861 381 N CB 0.171 38.675 38.487 0.028 0.000 0.986 381 N HN 0.170 nan 8.380 nan 0.000 0.428 382 L N 1.984 123.224 121.223 0.028 0.000 2.633 382 L HA -0.006 4.334 4.340 -0.000 0.000 0.235 382 L C 1.696 178.583 176.870 0.028 0.000 1.163 382 L CA 1.057 55.913 54.840 0.027 0.000 0.859 382 L CB -0.621 41.450 42.059 0.021 0.000 0.973 382 L HN 0.126 nan 8.230 nan 0.000 0.451 383 E N -1.630 118.588 120.200 0.031 0.000 2.208 383 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 383 E C 0.921 177.546 176.600 0.043 0.000 0.988 383 E CA 0.185 56.605 56.400 0.033 0.000 0.828 383 E CB 0.190 29.911 29.700 0.034 0.000 0.763 383 E HN 0.312 nan 8.360 nan 0.000 0.478 384 S N 0.336 116.066 115.700 0.051 0.000 2.528 384 S HA 0.070 4.540 4.470 -0.000 0.000 0.277 384 S C 0.831 175.473 174.600 0.071 0.000 1.297 384 S CA -0.394 57.850 58.200 0.073 0.000 1.052 384 S CB 0.961 64.204 63.200 0.071 0.000 0.917 384 S HN 0.043 nan 8.310 nan 0.000 0.492 385 K N 3.049 123.503 120.400 0.089 0.000 2.057 385 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 385 K C 1.602 178.265 176.600 0.103 0.000 1.050 385 K CA 0.905 57.238 56.287 0.076 0.000 0.935 385 K CB -0.225 32.310 32.500 0.058 0.000 0.715 385 K HN 0.478 nan 8.250 nan 0.000 0.439 386 L N 0.728 122.027 121.223 0.127 0.000 2.083 386 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 386 L C 2.159 179.084 176.870 0.091 0.000 1.083 386 L CA 1.419 56.328 54.840 0.114 0.000 0.752 386 L CB -0.647 41.470 42.059 0.098 0.000 0.899 386 L HN -0.041 nan 8.230 nan 0.000 0.433 387 V N -0.822 119.136 119.914 0.072 0.000 2.379 387 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 387 V C 2.500 178.619 176.094 0.043 0.000 1.044 387 V CA 1.503 63.836 62.300 0.054 0.000 1.036 387 V CB -0.396 31.453 31.823 0.044 0.000 0.664 387 V HN 0.514 nan 8.190 nan 0.000 0.453 388 E N 0.030 120.257 120.200 0.045 0.000 2.110 388 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 388 E C 2.176 178.793 176.600 0.030 0.000 0.988 388 E CA 1.542 57.962 56.400 0.032 0.000 0.804 388 E CB -0.100 29.623 29.700 0.038 0.000 0.745 388 E HN 0.465 nan 8.360 nan 0.000 0.458 389 L N 1.563 122.821 121.223 0.058 0.000 1.976 389 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 389 L C 2.394 179.261 176.870 -0.005 0.000 1.071 389 L CA 2.395 57.275 54.840 0.066 0.000 0.746 389 L CB -0.591 41.549 42.059 0.134 0.000 0.890 389 L HN 0.197 nan 8.230 nan 0.000 0.432 390 E N -0.861 119.371 120.200 0.054 0.000 2.085 390 E HA -0.320 4.030 4.350 -0.000 0.000 0.194 390 E C 1.870 178.407 176.600 -0.104 0.000 0.994 390 E CA 1.592 58.008 56.400 0.025 0.000 0.801 390 E CB -0.203 29.566 29.700 0.116 0.000 0.743 390 E HN 0.717 nan 8.360 nan 0.000 0.453 391 D N -0.067 120.300 120.400 -0.056 0.000 2.144 391 D HA -0.214 4.426 4.640 -0.000 0.000 0.199 391 D C 2.165 178.389 176.300 -0.127 0.000 0.984 391 D CA 1.561 55.519 54.000 -0.070 0.000 0.834 391 D CB -0.130 40.650 40.800 -0.033 0.000 0.955 391 D HN 0.288 nan 8.370 nan 0.000 0.465 392 M N -0.528 118.994 119.600 -0.130 0.000 2.132 392 M HA 0.011 4.491 4.480 -0.000 0.000 0.263 392 M C 2.145 178.315 176.300 -0.216 0.000 1.065 392 M CA 2.058 57.276 55.300 -0.136 0.000 1.122 392 M CB -0.352 32.230 32.600 -0.031 0.000 1.365 392 M HN 0.106 nan 8.290 nan 0.000 0.411 393 G N 0.609 109.149 108.800 -0.434 0.000 2.446 393 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 393 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 393 G C 1.567 176.147 174.900 -0.534 0.000 1.168 393 G CA 0.834 45.446 45.100 -0.813 0.000 0.771 393 G HN 0.497 nan 8.290 nan 0.000 0.551 394 R N -0.181 120.083 120.500 -0.393 0.000 2.090 394 R HA 0.032 4.372 4.340 -0.000 0.000 0.228 394 R C 2.772 178.949 176.300 -0.205 0.000 1.110 394 R CA 1.067 57.053 56.100 -0.190 0.000 0.973 394 R CB -0.282 29.963 30.300 -0.092 0.000 0.869 394 R HN 0.425 nan 8.270 nan 0.000 0.440 395 Q N 0.219 119.876 119.800 -0.238 0.000 2.046 395 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 395 Q C 2.242 177.985 176.000 -0.428 0.000 0.975 395 Q CA 1.458 57.038 55.803 -0.372 0.000 0.836 395 Q CB 0.021 28.626 28.738 -0.222 0.000 0.896 395 Q HN 0.159 nan 8.270 nan 0.000 0.428 396 V N 0.979 120.767 119.914 -0.210 0.000 2.343 396 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 396 V C 2.206 178.246 176.094 -0.090 0.000 1.051 396 V CA 1.329 63.579 62.300 -0.084 0.000 1.036 396 V CB -0.478 31.368 31.823 0.039 0.000 0.654 396 V HN 0.304 nan 8.190 nan 0.000 0.451 397 L N -0.855 120.309 121.223 -0.099 0.000 2.042 397 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 397 L C 2.273 179.107 176.870 -0.060 0.000 1.076 397 L CA 2.229 57.042 54.840 -0.045 0.000 0.749 397 L CB -0.467 41.585 42.059 -0.012 0.000 0.893 397 L HN 0.293 nan 8.230 nan 0.000 0.432 398 M N -1.484 118.026 119.600 -0.149 0.000 2.216 398 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 398 M C 0.926 177.187 176.300 -0.066 0.000 1.080 398 M CA 1.749 56.980 55.300 -0.115 0.000 1.153 398 M CB -0.013 32.504 32.600 -0.138 0.000 1.356 398 M HN 0.583 nan 8.290 nan 0.000 0.432 399 H N -2.780 116.306 119.070 0.027 0.000 2.649 399 H HA 0.506 5.062 4.556 -0.000 0.000 0.258 399 H C 0.639 175.988 175.328 0.035 0.000 1.165 399 H CA 0.048 56.112 56.048 0.027 0.000 1.006 399 H CB -0.534 29.239 29.762 0.017 0.000 1.743 399 H HN 0.441 nan 8.280 nan 0.000 0.609 400 G N 1.735 110.565 108.800 0.050 0.000 2.341 400 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.292 400 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.292 400 G C 0.043 175.036 174.900 0.154 0.000 1.021 400 G CA 0.596 45.752 45.100 0.093 0.000 0.905 400 G HN 0.912 nan 8.290 nan 0.000 0.508 401 R N -2.239 118.356 120.500 0.159 0.000 2.712 401 R HA 0.722 5.062 4.340 -0.000 0.000 0.272 401 R C -1.221 175.073 176.300 -0.010 0.000 1.032 401 R CA -1.240 54.959 56.100 0.165 0.000 0.874 401 R CB 1.147 31.551 30.300 0.174 0.000 1.256 401 R HN 0.135 nan 8.270 nan 0.000 0.468 402 K N 2.559 122.768 120.400 -0.317 0.000 2.483 402 K HA 0.334 4.654 4.320 -0.000 0.000 0.256 402 K C -0.722 175.694 176.600 -0.307 0.000 0.961 402 K CA -0.730 55.255 56.287 -0.503 0.000 0.873 402 K CB 1.421 33.184 32.500 -1.228 0.000 1.107 402 K HN 0.691 nan 8.250 nan 0.000 0.432 403 I N 7.009 127.517 120.570 -0.103 0.000 2.668 403 I HA 0.082 4.252 4.170 -0.000 0.000 0.285 403 I C -1.890 174.178 176.117 -0.083 0.000 1.168 403 I CA -1.514 59.756 61.300 -0.050 0.000 1.424 403 I CB 0.845 38.861 38.000 0.027 0.000 1.377 403 I HN 0.579 nan 8.210 nan 0.000 0.560 404 P HA 0.028 nan 4.420 nan 0.000 0.275 404 P C 0.896 178.177 177.300 -0.032 0.000 1.228 404 P CA -0.287 62.779 63.100 -0.056 0.000 0.786 404 P CB 1.418 33.099 31.700 -0.032 0.000 0.927 405 V N 3.075 122.973 119.914 -0.027 0.000 2.252 405 V HA -0.325 3.795 4.120 -0.000 0.000 0.249 405 V C 2.382 178.458 176.094 -0.030 0.000 1.056 405 V CA 2.430 64.719 62.300 -0.019 0.000 1.022 405 V CB -1.599 30.217 31.823 -0.012 0.000 0.641 405 V HN 0.613 nan 8.190 nan 0.000 0.445 406 N N -0.286 118.397 118.700 -0.029 0.000 2.049 406 N HA -0.318 4.422 4.740 -0.000 0.000 0.198 406 N C 1.999 177.474 175.510 -0.058 0.000 1.030 406 N CA 1.833 54.861 53.050 -0.037 0.000 0.870 406 N CB -0.238 38.234 38.487 -0.026 0.000 1.045 406 N HN 0.645 nan 8.380 nan 0.000 0.434 407 E N 0.857 121.026 120.200 -0.053 0.000 2.077 407 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 407 E C 2.113 178.632 176.600 -0.134 0.000 0.989 407 E CA 0.843 57.201 56.400 -0.070 0.000 0.800 407 E CB 0.001 29.679 29.700 -0.037 0.000 0.746 407 E HN 0.334 nan 8.360 nan 0.000 0.452 408 M N 0.358 119.889 119.600 -0.115 0.000 2.086 408 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 408 M C 2.094 178.208 176.300 -0.310 0.000 1.067 408 M CA 1.529 56.706 55.300 -0.205 0.000 1.116 408 M CB -0.070 32.522 32.600 -0.014 0.000 1.348 408 M HN 0.165 nan 8.290 nan 0.000 0.407 409 I N -0.467 120.005 120.570 -0.163 0.000 2.127 409 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 409 I C 2.389 178.407 176.117 -0.166 0.000 1.075 409 I CA 1.417 62.635 61.300 -0.137 0.000 1.334 409 I CB -0.543 37.412 38.000 -0.075 0.000 1.040 409 I HN 0.317 nan 8.210 nan 0.000 0.405 410 S N 0.627 116.238 115.700 -0.148 0.000 2.365 410 S HA -0.251 4.219 4.470 -0.000 0.000 0.225 410 S C 1.930 176.423 174.600 -0.179 0.000 1.039 410 S CA 1.576 59.697 58.200 -0.132 0.000 1.033 410 S CB -0.281 62.858 63.200 -0.101 0.000 0.887 410 S HN 0.371 nan 8.310 nan 0.000 0.447 411 K N 0.440 120.665 120.400 -0.291 0.000 2.209 411 K HA 0.024 4.344 4.320 -0.000 0.000 0.204 411 K C 1.887 178.288 176.600 -0.332 0.000 1.048 411 K CA 1.004 57.080 56.287 -0.350 0.000 0.940 411 K CB -0.239 31.897 32.500 -0.608 0.000 0.729 411 K HN 0.384 nan 8.250 nan 0.000 0.451 412 I N 0.865 121.222 120.570 -0.355 0.000 2.333 412 I HA -0.194 3.976 4.170 -0.000 0.000 0.246 412 I C 1.888 177.948 176.117 -0.094 0.000 1.106 412 I CA 1.129 62.319 61.300 -0.183 0.000 1.411 412 I CB -0.136 37.781 38.000 -0.137 0.000 1.082 412 I HN 0.161 nan 8.210 nan 0.000 0.420 413 E N 0.774 120.917 120.200 -0.096 0.000 2.204 413 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 413 E C 1.003 177.574 176.600 -0.049 0.000 0.989 413 E CA 0.920 57.285 56.400 -0.059 0.000 0.824 413 E CB -0.071 29.596 29.700 -0.056 0.000 0.756 413 E HN 0.444 nan 8.360 nan 0.000 0.477 414 D N 0.422 120.786 120.400 -0.060 0.000 2.363 414 D HA 0.024 4.664 4.640 -0.000 0.000 0.226 414 D C 0.333 176.617 176.300 -0.028 0.000 1.020 414 D CA 0.341 54.315 54.000 -0.042 0.000 0.892 414 D CB 0.069 40.841 40.800 -0.047 0.000 0.900 414 D HN 0.127 nan 8.370 nan 0.000 0.531 415 L N 0.887 122.095 121.223 -0.025 0.000 2.416 415 L HA 0.143 4.483 4.340 -0.000 0.000 0.272 415 L C 0.600 177.467 176.870 -0.006 0.000 1.161 415 L CA 0.339 55.174 54.840 -0.008 0.000 0.845 415 L CB 0.568 42.630 42.059 0.004 0.000 1.119 415 L HN -0.344 nan 8.230 nan 0.000 0.464 416 K N 3.487 123.885 120.400 -0.003 0.000 2.328 416 K HA 0.358 4.678 4.320 -0.000 0.000 0.246 416 K C -1.854 174.746 176.600 0.001 0.000 0.955 416 K CA -1.611 54.675 56.287 -0.002 0.000 0.817 416 K CB 1.759 34.256 32.500 -0.004 0.000 1.208 416 K HN 0.092 nan 8.250 nan 0.000 0.432 417 P HA -0.289 nan 4.420 nan 0.000 0.219 417 P C 0.261 177.565 177.300 0.007 0.000 1.158 417 P CA 1.519 64.624 63.100 0.010 0.000 0.895 417 P CB 0.205 31.912 31.700 0.012 0.000 0.792 418 D N -1.017 119.385 120.400 0.004 0.000 2.149 418 D HA -0.157 4.483 4.640 -0.000 0.000 0.198 418 D C 1.506 177.801 176.300 -0.010 0.000 0.990 418 D CA 1.057 55.057 54.000 0.001 0.000 0.839 418 D CB -0.649 40.150 40.800 -0.001 0.000 0.948 418 D HN 0.256 nan 8.370 nan 0.000 0.460 419 D N 0.690 121.083 120.400 -0.011 0.000 2.092 419 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 419 D C 2.222 178.500 176.300 -0.037 0.000 0.994 419 D CA 0.534 54.522 54.000 -0.020 0.000 0.828 419 D CB -0.104 40.691 40.800 -0.009 0.000 0.963 419 D HN 0.211 nan 8.370 nan 0.000 0.450 420 I N 1.183 121.738 120.570 -0.025 0.000 2.286 420 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 420 I C 2.412 178.502 176.117 -0.046 0.000 1.115 420 I CA 0.866 62.144 61.300 -0.037 0.000 1.392 420 I CB -1.317 36.680 38.000 -0.005 0.000 1.065 420 I HN -0.128 nan 8.210 nan 0.000 0.418 421 S N 0.417 116.110 115.700 -0.012 0.000 2.368 421 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 421 S C 2.135 176.710 174.600 -0.042 0.000 1.030 421 S CA 1.074 59.285 58.200 0.017 0.000 0.999 421 S CB -0.279 62.948 63.200 0.045 0.000 0.844 421 S HN 0.387 nan 8.310 nan 0.000 0.459 422 R N 0.838 121.301 120.500 -0.062 0.000 2.081 422 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 422 R C 1.995 178.185 176.300 -0.183 0.000 1.131 422 R CA 1.314 57.355 56.100 -0.099 0.000 0.960 422 R CB -0.308 29.951 30.300 -0.068 0.000 0.856 422 R HN 0.276 nan 8.270 nan 0.000 0.436 423 V N 0.805 120.599 119.914 -0.199 0.000 2.453 423 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 423 V C 2.462 178.285 176.094 -0.451 0.000 1.048 423 V CA 1.634 63.753 62.300 -0.301 0.000 1.049 423 V CB -0.539 31.116 31.823 -0.280 0.000 0.672 423 V HN 0.483 nan 8.190 nan 0.000 0.457 424 A N 0.145 122.734 122.820 -0.385 0.000 1.883 424 A HA -0.309 4.011 4.320 -0.000 0.000 0.217 424 A C 2.285 179.454 177.584 -0.692 0.000 1.186 424 A CA 2.237 54.011 52.037 -0.439 0.000 0.624 424 A CB -0.536 18.432 19.000 -0.052 0.000 0.822 424 A HN 0.645 nan 8.150 nan 0.000 0.444 425 E N -0.747 118.996 120.200 -0.762 0.000 2.051 425 E HA -0.237 4.113 4.350 -0.000 0.000 0.192 425 E C 2.055 178.243 176.600 -0.686 0.000 0.991 425 E CA 1.453 57.179 56.400 -1.123 0.000 0.799 425 E CB -0.254 29.107 29.700 -0.566 0.000 0.748 425 E HN 0.636 nan 8.360 nan 0.000 0.449 426 M N 0.482 119.794 119.600 -0.480 0.000 2.080 426 M HA -0.197 4.283 4.480 -0.000 0.000 0.260 426 M C 1.805 177.841 176.300 -0.441 0.000 1.068 426 M CA 1.556 56.631 55.300 -0.376 0.000 1.109 426 M CB -0.067 32.347 32.600 -0.309 0.000 1.342 426 M HN 0.199 nan 8.290 nan 0.000 0.405 427 I N 0.161 120.370 120.570 -0.602 0.000 2.133 427 I HA -0.232 3.938 4.170 -0.000 0.000 0.238 427 I C 2.211 177.922 176.117 -0.677 0.000 1.074 427 I CA 1.666 62.567 61.300 -0.665 0.000 1.342 427 I CB -1.756 35.650 38.000 -0.991 0.000 1.053 427 I HN 0.257 nan 8.210 nan 0.000 0.404 428 F N 0.992 120.570 119.950 -0.619 0.000 2.546 428 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 428 F C 2.513 177.846 175.800 -0.779 0.000 1.120 428 F CA 0.805 58.310 58.000 -0.826 0.000 1.456 428 F CB -1.450 37.278 39.000 -0.454 0.000 1.088 428 F HN 0.022 nan 8.300 nan 0.000 0.572 429 T N -1.253 113.062 114.554 -0.398 0.000 3.081 429 T HA 0.238 4.588 4.350 -0.000 0.000 0.250 429 T C 1.608 176.201 174.700 -0.179 0.000 1.100 429 T CA 0.849 62.817 62.100 -0.220 0.000 1.038 429 T CB -0.412 68.344 68.868 -0.187 0.000 0.962 429 T HN 0.433 nan 8.240 nan 0.000 0.516 430 G N 2.327 110.976 108.800 -0.252 0.000 2.182 430 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.248 430 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.248 430 G C 0.292 175.145 174.900 -0.078 0.000 1.042 430 G CA -0.150 44.899 45.100 -0.085 0.000 0.775 430 G HN 0.448 nan 8.290 nan 0.000 0.501 431 N N 0.031 118.647 118.700 -0.140 0.000 2.546 431 N HA 0.294 5.034 4.740 -0.000 0.000 0.286 431 N C 0.205 175.642 175.510 -0.122 0.000 1.259 431 N CA 0.085 53.070 53.050 -0.108 0.000 0.939 431 N CB 0.947 39.367 38.487 -0.111 0.000 1.243 431 N HN 0.242 nan 8.380 nan 0.000 0.511 432 V N 1.341 121.177 119.914 -0.131 0.000 2.481 432 V HA 0.305 4.425 4.120 -0.000 0.000 0.286 432 V C 0.055 176.111 176.094 -0.064 0.000 1.042 432 V CA -0.630 61.590 62.300 -0.133 0.000 0.928 432 V CB 1.591 33.300 31.823 -0.191 0.000 0.986 432 V HN 0.206 nan 8.190 nan 0.000 0.462 433 N N 4.265 122.948 118.700 -0.028 0.000 2.776 433 N HA 0.348 5.088 4.740 -0.000 0.000 0.245 433 N C -0.814 174.721 175.510 0.041 0.000 1.121 433 N CA -0.396 52.661 53.050 0.013 0.000 0.852 433 N CB 0.917 39.415 38.487 0.018 0.000 1.142 433 N HN 0.574 nan 8.380 nan 0.000 0.514 434 N N 0.309 119.038 118.700 0.047 0.000 2.458 434 N HA 0.268 5.008 4.740 -0.000 0.000 0.271 434 N C 1.293 176.851 175.510 0.079 0.000 1.210 434 N CA -0.425 52.670 53.050 0.076 0.000 0.978 434 N CB 1.028 39.568 38.487 0.088 0.000 1.206 434 N HN 0.334 nan 8.380 nan 0.000 0.536 435 A N 0.579 123.449 122.820 0.082 0.000 1.958 435 A HA -0.135 4.185 4.320 -0.000 0.000 0.221 435 A C 1.801 179.432 177.584 0.080 0.000 1.178 435 A CA 2.218 54.299 52.037 0.073 0.000 0.642 435 A CB -1.139 17.904 19.000 0.072 0.000 0.816 435 A HN 0.720 nan 8.150 nan 0.000 0.453 436 G N -1.262 107.599 108.800 0.101 0.000 2.848 436 G HA2 0.086 4.046 3.960 -0.000 0.000 0.208 436 G HA3 0.086 4.046 3.960 -0.000 0.000 0.208 436 G C 0.564 175.531 174.900 0.111 0.000 1.152 436 G CA 0.679 45.846 45.100 0.112 0.000 0.789 436 G HN 0.806 nan 8.290 nan 0.000 0.531 437 N N -0.384 118.374 118.700 0.098 0.000 2.642 437 N HA -0.095 4.645 4.740 -0.000 0.000 0.269 437 N C 0.613 176.191 175.510 0.113 0.000 1.073 437 N CA 0.752 53.854 53.050 0.087 0.000 0.748 437 N CB -1.190 37.338 38.487 0.068 0.000 0.894 437 N HN 0.420 nan 8.380 nan 0.000 0.548 438 G N 1.487 110.374 108.800 0.146 0.000 2.572 438 G HA2 0.374 4.334 3.960 -0.000 0.000 0.261 438 G HA3 0.374 4.334 3.960 -0.000 0.000 0.261 438 G C 0.150 175.172 174.900 0.203 0.000 1.197 438 G CA -0.599 44.639 45.100 0.229 0.000 0.870 438 G HN 0.378 nan 8.290 nan 0.000 0.548 439 K N -0.025 120.525 120.400 0.251 0.000 2.149 439 K HA 0.235 4.554 4.320 -0.000 0.000 0.245 439 K C 1.125 177.877 176.600 0.254 0.000 1.024 439 K CA -0.079 56.323 56.287 0.191 0.000 0.899 439 K CB 0.809 33.388 32.500 0.132 0.000 1.038 439 K HN 0.474 nan 8.250 nan 0.000 0.496 440 G N 0.548 109.463 108.800 0.190 0.000 3.523 440 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.270 440 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.270 440 G C 0.433 175.515 174.900 0.304 0.000 1.134 440 G CA -0.193 45.029 45.100 0.204 0.000 0.825 440 G HN 0.384 nan 8.290 nan 0.000 0.534 441 R N 0.521 121.201 120.500 0.300 0.000 2.490 441 R HA 0.582 4.922 4.340 -0.000 0.000 0.278 441 R C 0.397 176.848 176.300 0.251 0.000 1.069 441 R CA -0.302 55.941 56.100 0.238 0.000 1.080 441 R CB 0.661 31.025 30.300 0.108 0.000 1.030 441 R HN 0.085 nan 8.270 nan 0.000 0.491 442 A N 2.246 125.113 122.820 0.077 0.000 2.332 442 A HA 0.315 4.635 4.320 -0.000 0.000 0.258 442 A C -0.541 176.917 177.584 -0.210 0.000 1.087 442 A CA -0.205 51.623 52.037 -0.348 0.000 0.802 442 A CB 0.824 19.512 19.000 -0.521 0.000 1.042 442 A HN 0.734 nan 8.150 nan 0.000 0.489 443 T N 1.072 115.472 114.554 -0.258 0.000 2.770 443 T HA 0.537 4.887 4.350 -0.000 0.000 0.283 443 T C -0.803 173.808 174.700 -0.149 0.000 0.988 443 T CA -0.229 61.775 62.100 -0.161 0.000 0.957 443 T CB 0.919 69.724 68.868 -0.104 0.000 0.930 443 T HN 0.463 nan 8.240 nan 0.000 0.443 444 V N 4.026 123.863 119.914 -0.129 0.000 2.577 444 V HA 0.643 4.763 4.120 -0.000 0.000 0.303 444 V C -0.557 175.461 176.094 -0.126 0.000 1.042 444 V CA -0.729 61.500 62.300 -0.118 0.000 0.872 444 V CB 2.003 33.755 31.823 -0.117 0.000 0.998 444 V HN 0.649 nan 8.190 nan 0.000 0.423 445 V N 6.866 126.705 119.914 -0.125 0.000 2.709 445 V HA 0.761 4.881 4.120 -0.000 0.000 0.308 445 V C -0.502 175.484 176.094 -0.181 0.000 1.062 445 V CA -0.383 61.839 62.300 -0.129 0.000 0.901 445 V CB 2.009 33.779 31.823 -0.087 0.000 1.003 445 V HN 0.943 nan 8.190 nan 0.000 0.425 446 M N 4.108 123.576 119.600 -0.220 0.000 2.569 446 M HA 0.644 5.124 4.480 -0.000 0.000 0.279 446 M C -1.577 174.633 176.300 -0.150 0.000 1.253 446 M CA -0.805 54.320 55.300 -0.292 0.000 0.867 446 M CB 2.328 34.429 32.600 -0.831 0.000 1.727 446 M HN 0.575 nan 8.290 nan 0.000 0.467 447 Q N 0.988 120.763 119.800 -0.040 0.000 2.325 447 Q HA 0.744 5.084 4.340 -0.000 0.000 0.270 447 Q C -0.706 175.189 176.000 -0.176 0.000 1.020 447 Q CA 0.115 55.912 55.803 -0.011 0.000 0.785 447 Q CB 2.032 30.850 28.738 0.134 0.000 1.259 447 Q HN 1.158 nan 8.270 nan 0.000 0.452 448 G N 2.757 111.313 108.800 -0.406 0.000 2.350 448 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.282 448 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.282 448 G C -1.788 172.781 174.900 -0.552 0.000 1.314 448 G CA -0.640 43.719 45.100 -1.235 0.000 0.915 448 G HN 0.694 nan 8.290 nan 0.000 0.499 449 D N -0.531 119.596 120.400 -0.454 0.000 2.348 449 D HA 0.473 5.113 4.640 -0.000 0.000 0.253 449 D C 1.544 177.896 176.300 0.087 0.000 1.161 449 D CA -0.334 53.639 54.000 -0.045 0.000 0.876 449 D CB 1.405 42.254 40.800 0.081 0.000 1.160 449 D HN 0.578 nan 8.370 nan 0.000 0.459 450 R N 3.431 123.990 120.500 0.100 0.000 2.103 450 R HA -0.096 4.244 4.340 -0.000 0.000 0.242 450 R C 2.083 178.503 176.300 0.201 0.000 1.142 450 R CA 2.254 58.461 56.100 0.179 0.000 0.960 450 R CB -1.049 29.296 30.300 0.075 0.000 0.858 450 R HN 0.623 nan 8.270 nan 0.000 0.439 451 G N -0.734 108.128 108.800 0.104 0.000 2.513 451 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.219 451 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.219 451 G C 1.475 176.406 174.900 0.052 0.000 1.160 451 G CA 1.196 46.338 45.100 0.070 0.000 0.767 451 G HN 0.444 nan 8.290 nan 0.000 0.571 452 S N 0.405 116.108 115.700 0.006 0.000 2.461 452 S HA -0.086 4.384 4.470 -0.000 0.000 0.246 452 S C 1.646 176.075 174.600 -0.285 0.000 1.007 452 S CA 1.012 59.123 58.200 -0.148 0.000 0.976 452 S CB -0.318 62.782 63.200 -0.168 0.000 0.763 452 S HN 0.405 nan 8.310 nan 0.000 0.508 453 F N 0.963 120.944 119.950 0.053 0.000 2.746 453 F HA 0.335 4.862 4.527 -0.000 0.000 0.297 453 F C 1.775 177.586 175.800 0.019 0.000 1.113 453 F CA 0.273 58.295 58.000 0.036 0.000 1.367 453 F CB -0.440 38.580 39.000 0.032 0.000 1.111 453 F HN 0.306 nan 8.300 nan 0.000 0.590 454 G N 0.310 109.199 108.800 0.148 0.000 2.645 454 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.239 454 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.239 454 G C -0.569 174.389 174.900 0.097 0.000 1.331 454 G CA -0.269 44.886 45.100 0.092 0.000 0.890 454 G HN 0.181 nan 8.290 nan 0.000 0.572 455 D N 0.705 121.147 120.400 0.071 0.000 2.470 455 D HA 0.342 4.982 4.640 -0.000 0.000 0.226 455 D C 1.920 178.263 176.300 0.072 0.000 1.196 455 D CA 0.376 54.413 54.000 0.062 0.000 0.979 455 D CB 0.629 41.459 40.800 0.050 0.000 1.059 455 D HN 0.284 nan 8.370 nan 0.000 0.515 456 V N 3.624 123.582 119.914 0.073 0.000 2.295 456 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 456 V C 2.401 178.534 176.094 0.065 0.000 1.049 456 V CA 1.798 64.138 62.300 0.066 0.000 1.024 456 V CB -0.434 31.409 31.823 0.035 0.000 0.648 456 V HN 0.571 nan 8.190 nan 0.000 0.447 457 E N 0.422 120.656 120.200 0.056 0.000 2.110 457 E HA -0.286 4.063 4.350 -0.000 0.000 0.193 457 E C 2.032 178.683 176.600 0.084 0.000 0.988 457 E CA 1.627 58.067 56.400 0.067 0.000 0.804 457 E CB -0.160 29.571 29.700 0.052 0.000 0.745 457 E HN 0.659 nan 8.360 nan 0.000 0.458 458 N N -0.551 118.194 118.700 0.075 0.000 2.244 458 N HA -0.125 4.615 4.740 -0.000 0.000 0.183 458 N C 1.605 177.176 175.510 0.101 0.000 1.016 458 N CA 1.173 54.268 53.050 0.076 0.000 0.866 458 N CB 0.135 38.657 38.487 0.058 0.000 0.980 458 N HN 0.014 nan 8.380 nan 0.000 0.430 459 V N 0.701 120.685 119.914 0.116 0.000 2.358 459 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 459 V C 2.254 178.491 176.094 0.240 0.000 1.047 459 V CA 1.246 63.648 62.300 0.169 0.000 1.035 459 V CB -0.545 31.358 31.823 0.133 0.000 0.658 459 V HN 0.336 nan 8.190 nan 0.000 0.452 460 L N -0.505 120.827 121.223 0.182 0.000 2.046 460 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 460 L C 2.607 179.624 176.870 0.246 0.000 1.077 460 L CA 1.725 56.698 54.840 0.221 0.000 0.747 460 L CB -0.602 41.582 42.059 0.210 0.000 0.896 460 L HN 0.267 nan 8.230 nan 0.000 0.432 461 K N 0.101 120.611 120.400 0.184 0.000 2.057 461 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 461 K C 2.160 178.836 176.600 0.127 0.000 1.049 461 K CA 1.265 57.642 56.287 0.150 0.000 0.931 461 K CB -0.288 32.276 32.500 0.107 0.000 0.714 461 K HN 0.266 nan 8.250 nan 0.000 0.440 462 A N 0.244 123.133 122.820 0.115 0.000 2.131 462 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 462 A C 1.152 178.675 177.584 -0.102 0.000 1.158 462 A CA 1.289 53.331 52.037 0.008 0.000 0.665 462 A CB -0.433 18.568 19.000 0.002 0.000 0.795 462 A HN 0.340 nan 8.150 nan 0.000 0.460 463 Y N -1.331 118.977 120.300 0.014 0.000 2.507 463 Y HA 0.376 4.926 4.550 -0.000 0.000 0.254 463 Y C 1.675 177.664 175.900 0.148 0.000 1.171 463 Y CA 0.013 58.113 58.100 -0.001 0.000 1.238 463 Y CB 0.245 38.698 38.460 -0.011 0.000 1.148 463 Y HN 0.400 nan 8.280 nan 0.000 0.525 464 G N 0.942 109.881 108.800 0.231 0.000 2.179 464 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.257 464 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.257 464 G C -0.019 175.032 174.900 0.252 0.000 1.010 464 G CA 0.131 45.363 45.100 0.221 0.000 0.736 464 G HN 0.270 nan 8.290 nan 0.000 0.513 465 L N 0.050 121.434 121.223 0.268 0.000 2.350 465 L HA 0.624 4.964 4.340 -0.000 0.000 0.275 465 L C 1.328 178.321 176.870 0.205 0.000 1.099 465 L CA 0.290 55.257 54.840 0.211 0.000 0.808 465 L CB 1.127 43.357 42.059 0.286 0.000 1.149 465 L HN 1.063 nan 8.230 nan 0.000 0.442 466 G N 2.282 111.108 108.800 0.042 0.000 2.796 466 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.571 466 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.571 466 G C -1.177 173.808 174.900 0.141 0.000 1.370 466 G CA -0.151 45.095 45.100 0.243 0.000 0.856 466 G HN 0.854 nan 8.290 nan 0.000 0.538 467 N N 0.000 118.797 118.700 0.162 0.000 1.763 467 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 467 N CA 0.000 53.114 53.050 0.107 0.000 0.885 467 N CB 0.000 38.533 38.487 0.077 0.000 1.341 467 N HN 0.000 nan 8.380 nan 0.000 0.667