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 2jez_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGEX DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcXXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT A 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.624 176.600 0.040 0.000 1.382 4 E CA 0.000 56.417 56.400 0.029 0.000 0.976 4 E CB 0.000 29.717 29.700 0.029 0.000 0.812 5 D N 5.037 125.468 120.400 0.051 0.000 2.363 5 D HA 0.099 4.771 4.640 0.054 0.000 0.263 5 D C -1.570 174.773 176.300 0.072 0.000 1.258 5 D CA -1.882 52.165 54.000 0.078 0.000 0.907 5 D CB 1.422 42.293 40.800 0.119 0.000 1.107 5 D HN 0.226 nan 8.370 nan 0.000 0.495 6 P HA -0.096 nan 4.420 nan 0.000 0.226 6 P C 1.057 178.368 177.300 0.018 0.000 1.153 6 P CA 0.651 63.769 63.100 0.030 0.000 0.777 6 P CB 0.391 32.099 31.700 0.014 0.000 0.794 7 Q N -0.478 119.319 119.800 -0.005 0.000 2.230 7 Q HA 0.025 4.397 4.340 0.054 0.000 0.202 7 Q C 1.441 177.488 176.000 0.078 0.000 0.963 7 Q CA 1.040 56.794 55.803 -0.082 0.000 0.866 7 Q CB -0.756 27.733 28.738 -0.415 0.000 0.931 7 Q HN 0.239 nan 8.270 nan 0.000 0.452 8 L N -0.017 121.280 121.223 0.123 0.000 2.728 8 L HA 0.297 4.669 4.340 0.054 0.000 0.235 8 L C -0.290 176.738 176.870 0.263 0.000 1.197 8 L CA -0.174 54.756 54.840 0.150 0.000 0.992 8 L CB 0.325 42.406 42.059 0.037 0.000 1.263 8 L HN 0.076 nan 8.230 nan 0.000 0.484 9 L N 0.662 122.020 121.223 0.226 0.000 2.406 9 L HA 0.590 4.963 4.340 0.054 0.000 0.272 9 L C -1.230 175.680 176.870 0.066 0.000 0.980 9 L CA -0.431 54.509 54.840 0.166 0.000 0.831 9 L CB 2.451 44.563 42.059 0.088 0.000 1.253 9 L HN -0.233 nan 8.230 nan 0.000 0.406 10 V N 4.209 124.131 119.914 0.013 0.000 2.709 10 V HA 0.465 4.617 4.120 0.054 0.000 0.308 10 V C -0.355 175.667 176.094 -0.121 0.000 1.062 10 V CA -0.743 61.410 62.300 -0.244 0.000 0.901 10 V CB 2.217 33.557 31.823 -0.804 0.000 1.003 10 V HN 0.727 nan 8.190 nan 0.000 0.425 11 R N 4.019 124.430 120.500 -0.147 0.000 2.215 11 R HA 0.644 5.016 4.340 0.054 0.000 0.337 11 R C -0.419 175.802 176.300 -0.132 0.000 1.010 11 R CA -0.343 55.705 56.100 -0.087 0.000 0.871 11 R CB 1.148 31.398 30.300 -0.083 0.000 1.134 11 R HN 0.696 nan 8.270 nan 0.000 0.477 12 V N 1.907 121.798 119.914 -0.038 0.000 3.403 12 V HA 0.363 4.515 4.120 0.054 0.000 0.305 12 V C 1.406 177.437 176.094 -0.104 0.000 1.060 12 V CA -0.652 61.630 62.300 -0.031 0.000 1.053 12 V CB 1.188 33.162 31.823 0.252 0.000 1.198 12 V HN 0.856 nan 8.190 nan 0.000 0.447 13 R N 0.607 121.026 120.500 -0.134 0.000 2.120 13 R HA 0.006 4.378 4.340 0.054 0.000 0.234 13 R C 2.011 178.174 176.300 -0.229 0.000 1.123 13 R CA 1.591 57.597 56.100 -0.156 0.000 0.975 13 R CB -0.758 29.462 30.300 -0.135 0.000 0.866 13 R HN 1.018 nan 8.270 nan 0.000 0.446 14 G N -1.230 107.384 108.800 -0.310 0.000 2.813 14 G HA2 0.319 4.311 3.960 0.054 0.000 0.209 14 G HA3 0.319 4.311 3.960 0.054 0.000 0.209 14 G C 0.346 174.281 174.900 -1.607 0.000 1.150 14 G CA 0.463 45.094 45.100 -0.782 0.000 0.785 14 G HN 0.609 nan 8.290 nan 0.000 0.535 15 G N -0.939 107.261 108.800 -0.999 0.000 2.270 15 G HA2 0.052 4.044 3.960 0.054 0.000 0.268 15 G HA3 0.052 4.044 3.960 0.054 0.000 0.268 15 G C -1.118 173.726 174.900 -0.093 0.000 1.312 15 G CA -0.889 43.737 45.100 -0.790 0.000 1.050 15 G HN 0.301 nan 8.290 nan 0.000 0.474 16 Q N -0.270 119.679 119.800 0.248 0.000 2.235 16 Q HA 0.730 5.102 4.340 0.054 0.000 0.256 16 Q C -0.604 175.724 176.000 0.546 0.000 0.951 16 Q CA -0.436 55.572 55.803 0.342 0.000 0.890 16 Q CB 2.202 31.060 28.738 0.200 0.000 1.279 16 Q HN 0.494 nan 8.270 nan 0.000 0.444 17 L N 1.179 122.621 121.223 0.365 0.000 2.388 17 L HA 0.607 4.979 4.340 0.054 0.000 0.264 17 L C -0.422 176.627 176.870 0.299 0.000 0.998 17 L CA -0.802 54.246 54.840 0.347 0.000 0.817 17 L CB 2.361 44.679 42.059 0.431 0.000 1.338 17 L HN 0.427 nan 8.230 nan 0.000 0.414 18 R N 0.999 121.642 120.500 0.238 0.000 2.337 18 R HA 0.568 4.940 4.340 0.054 0.000 0.319 18 R C -0.180 176.188 176.300 0.113 0.000 0.954 18 R CA -0.338 55.868 56.100 0.178 0.000 0.840 18 R CB 1.670 32.019 30.300 0.081 0.000 1.164 18 R HN 0.858 nan 8.270 nan 0.000 0.472 19 G N 3.439 112.242 108.800 0.004 0.000 2.588 19 G HA2 0.298 4.290 3.960 0.054 0.000 0.278 19 G HA3 0.298 4.290 3.960 0.054 0.000 0.278 19 G C -0.583 174.087 174.900 -0.384 0.000 1.307 19 G CA -0.648 44.086 45.100 -0.609 0.000 1.016 19 G HN 0.618 nan 8.290 nan 0.000 0.503 20 I N -1.132 119.178 120.570 -0.434 0.000 2.646 20 I HA 0.535 4.737 4.170 0.054 0.000 0.299 20 I C 0.118 176.101 176.117 -0.223 0.000 1.036 20 I CA -1.262 59.883 61.300 -0.258 0.000 1.074 20 I CB 1.913 39.772 38.000 -0.234 0.000 1.258 20 I HN 0.446 nan 8.210 nan 0.000 0.430 21 R N 7.716 128.141 120.500 -0.124 0.000 2.210 21 R HA 0.458 4.830 4.340 0.054 0.000 0.338 21 R C -1.556 174.670 176.300 -0.123 0.000 1.062 21 R CA -0.365 55.676 56.100 -0.099 0.000 0.902 21 R CB 0.380 30.585 30.300 -0.160 0.000 1.050 21 R HN 0.660 nan 8.270 nan 0.000 0.461 22 L N 4.444 125.613 121.223 -0.091 0.000 2.344 22 L HA 0.413 4.785 4.340 0.054 0.000 0.272 22 L C -0.314 176.507 176.870 -0.082 0.000 1.035 22 L CA -1.108 53.685 54.840 -0.078 0.000 0.807 22 L CB 1.695 43.736 42.059 -0.030 0.000 1.237 22 L HN 0.599 nan 8.230 nan 0.000 0.442 23 K N 1.623 121.970 120.400 -0.088 0.000 2.185 23 K HA 0.738 5.090 4.320 0.054 0.000 0.269 23 K C -0.753 175.793 176.600 -0.090 0.000 0.987 23 K CA -0.441 55.795 56.287 -0.084 0.000 0.865 23 K CB 1.794 34.248 32.500 -0.076 0.000 1.090 23 K HN 0.497 nan 8.250 nan 0.000 0.450 24 A N 3.614 126.383 122.820 -0.084 0.000 2.294 24 A HA 0.550 4.902 4.320 0.054 0.000 0.330 24 A C -1.778 175.820 177.584 0.023 0.000 1.133 24 A CA -2.021 49.963 52.037 -0.087 0.000 0.836 24 A CB 0.545 19.475 19.000 -0.117 0.000 1.190 24 A HN 0.675 nan 8.150 nan 0.000 0.492 25 P HA -0.069 nan 4.420 nan 0.000 0.219 25 P C 1.035 178.369 177.300 0.058 0.000 1.146 25 P CA 1.827 64.981 63.100 0.091 0.000 0.808 25 P CB 0.275 32.053 31.700 0.130 0.000 0.779 26 G N -2.042 106.796 108.800 0.062 0.000 3.502 26 G HA2 0.512 4.504 3.960 0.054 0.000 0.267 26 G HA3 0.512 4.504 3.960 0.054 0.000 0.267 26 G C 0.365 175.286 174.900 0.035 0.000 1.090 26 G CA 0.243 45.371 45.100 0.046 0.000 0.795 26 G HN 0.526 nan 8.290 nan 0.000 0.535 27 G N -0.112 108.700 108.800 0.019 0.000 2.361 27 G HA2 0.283 4.275 3.960 0.054 0.000 0.331 27 G HA3 0.283 4.275 3.960 0.054 0.000 0.331 27 G C -3.380 171.509 174.900 -0.018 0.000 1.324 27 G CA -0.685 44.417 45.100 0.003 0.000 0.984 27 G HN 0.097 nan 8.290 nan 0.000 0.586 28 P HA 0.574 nan 4.420 nan 0.000 0.276 28 P C -0.216 177.113 177.300 0.048 0.000 1.244 28 P CA -0.298 62.739 63.100 -0.105 0.000 0.801 28 P CB 1.675 33.140 31.700 -0.393 0.000 1.006 29 V N -2.331 117.627 119.914 0.073 0.000 2.841 29 V HA 0.497 4.649 4.120 0.054 0.000 0.310 29 V C -0.281 175.947 176.094 0.223 0.000 1.090 29 V CA -0.872 61.549 62.300 0.202 0.000 0.930 29 V CB 1.615 33.545 31.823 0.178 0.000 1.014 29 V HN 0.405 nan 8.190 nan 0.000 0.425 30 S N 2.932 118.812 115.700 0.299 0.000 2.405 30 S HA 0.691 5.193 4.470 0.054 0.000 0.291 30 S C 0.345 174.918 174.600 -0.044 0.000 1.137 30 S CA 0.120 58.397 58.200 0.128 0.000 1.061 30 S CB 0.757 64.112 63.200 0.259 0.000 1.001 30 S HN 1.471 nan 8.310 nan 0.000 0.507 31 A N 3.673 126.305 122.820 -0.312 0.000 2.260 31 A HA 0.695 5.047 4.320 0.054 0.000 0.314 31 A C -0.652 176.505 177.584 -0.713 0.000 1.257 31 A CA -0.600 51.134 52.037 -0.505 0.000 0.871 31 A CB -0.107 18.573 19.000 -0.534 0.000 1.166 31 A HN 0.672 nan 8.150 nan 0.000 0.522 32 F N 3.618 123.409 119.950 -0.265 0.000 2.291 32 F HA 0.413 4.972 4.527 0.053 0.000 0.368 32 F C -0.023 175.592 175.800 -0.309 0.000 1.085 32 F CA -0.420 57.496 58.000 -0.141 0.000 1.165 32 F CB 0.597 39.698 39.000 0.169 0.000 1.429 32 F HN 0.340 nan 8.300 nan 0.000 0.503 33 L N 1.819 122.874 121.223 -0.279 0.000 2.343 33 L HA 0.716 5.088 4.340 0.054 0.000 0.275 33 L C 1.111 177.893 176.870 -0.147 0.000 1.056 33 L CA -0.918 53.727 54.840 -0.324 0.000 0.804 33 L CB 1.375 43.049 42.059 -0.641 0.000 1.203 33 L HN 0.798 nan 8.230 nan 0.000 0.440 34 G N 2.469 111.243 108.800 -0.042 0.000 2.160 34 G HA2 -0.259 3.733 3.960 0.054 0.000 0.244 34 G HA3 -0.259 3.733 3.960 0.054 0.000 0.244 34 G C -0.014 174.889 174.900 0.004 0.000 1.022 34 G CA -0.323 44.722 45.100 -0.093 0.000 0.741 34 G HN 0.492 nan 8.290 nan 0.000 0.508 35 I N 2.427 123.019 120.570 0.036 0.000 2.517 35 I HA 0.215 4.417 4.170 0.054 0.000 0.285 35 I C -1.378 174.774 176.117 0.059 0.000 1.106 35 I CA -1.889 59.408 61.300 -0.005 0.000 1.402 35 I CB 0.693 38.623 38.000 -0.117 0.000 1.399 35 I HN -0.036 nan 8.210 nan 0.000 0.535 36 P HA 0.015 nan 4.420 nan 0.000 0.276 36 P C -0.207 177.013 177.300 -0.133 0.000 1.235 36 P CA 0.033 63.028 63.100 -0.175 0.000 0.772 36 P CB 0.514 32.133 31.700 -0.135 0.000 0.871 37 F N 1.160 120.950 119.950 -0.267 0.000 2.706 37 F HA 0.725 5.284 4.527 0.054 0.000 0.313 37 F C 0.051 175.856 175.800 0.008 0.000 1.096 37 F CA -0.858 57.057 58.000 -0.142 0.000 1.219 37 F CB 0.174 38.998 39.000 -0.293 0.000 1.051 37 F HN 0.330 nan 8.300 nan 0.000 0.568 38 A N 0.061 122.608 122.820 -0.455 0.000 2.587 38 A HA 0.559 4.911 4.320 0.054 0.000 0.293 38 A C -0.812 176.613 177.584 -0.265 0.000 1.087 38 A CA -0.808 51.062 52.037 -0.278 0.000 0.692 38 A CB 0.924 19.695 19.000 -0.382 0.000 1.291 38 A HN 0.063 nan 8.150 nan 0.000 0.407 39 E N 1.405 121.532 120.200 -0.120 0.000 2.465 39 E HA 0.138 4.520 4.350 0.054 0.000 0.260 39 E C -2.278 174.217 176.600 -0.175 0.000 0.980 39 E CA -1.084 55.254 56.400 -0.104 0.000 0.927 39 E CB -0.199 29.478 29.700 -0.039 0.000 0.934 39 E HN 0.223 nan 8.360 nan 0.000 0.459 40 P HA -0.038 nan 4.420 nan 0.000 0.256 40 P C -2.195 175.022 177.300 -0.139 0.000 1.173 40 P CA -0.554 62.438 63.100 -0.180 0.000 0.768 40 P CB -0.107 31.530 31.700 -0.106 0.000 0.758 41 P HA 0.003 nan 4.420 nan 0.000 0.226 41 P C -0.309 176.915 177.300 -0.127 0.000 1.783 41 P CA 0.149 63.179 63.100 -0.118 0.000 0.980 41 P CB -0.149 31.485 31.700 -0.109 0.000 1.967 42 V N -2.556 117.290 119.914 -0.113 0.000 2.994 42 V HA 0.914 5.066 4.120 0.054 0.000 0.318 42 V C 0.923 176.961 176.094 -0.093 0.000 1.085 42 V CA 0.073 62.303 62.300 -0.117 0.000 0.998 42 V CB 0.876 32.639 31.823 -0.100 0.000 1.063 42 V HN 0.559 nan 8.190 nan 0.000 0.447 43 G N 2.636 111.380 108.800 -0.094 0.000 2.543 43 G HA2 -0.314 3.678 3.960 0.054 0.000 0.286 43 G HA3 -0.314 3.678 3.960 0.054 0.000 0.286 43 G C 1.166 176.029 174.900 -0.061 0.000 1.153 43 G CA 1.370 46.432 45.100 -0.063 0.000 0.968 43 G HN 2.336 nan 8.290 nan 0.000 0.544 44 S N 0.364 116.044 115.700 -0.033 0.000 2.522 44 S HA 0.122 4.624 4.470 0.054 0.000 0.227 44 S C 1.918 176.509 174.600 -0.015 0.000 0.986 44 S CA 1.450 59.644 58.200 -0.011 0.000 0.929 44 S CB 0.069 63.272 63.200 0.005 0.000 0.769 44 S HN 0.577 nan 8.310 nan 0.000 0.529 45 R N 1.243 121.718 120.500 -0.042 0.000 2.297 45 R HA 0.244 4.616 4.340 0.054 0.000 0.197 45 R C 0.833 177.083 176.300 -0.084 0.000 0.943 45 R CA -0.096 55.978 56.100 -0.042 0.000 1.038 45 R CB -0.457 29.816 30.300 -0.045 0.000 0.957 45 R HN 0.507 nan 8.270 nan 0.000 0.484 46 R N 0.755 121.154 120.500 -0.168 0.000 2.537 46 R HA -0.151 4.221 4.340 0.054 0.000 0.281 46 R C -0.199 175.895 176.300 -0.343 0.000 0.988 46 R CA 0.551 56.416 56.100 -0.392 0.000 1.077 46 R CB 0.042 29.971 30.300 -0.619 0.000 0.932 46 R HN 0.075 nan 8.270 nan 0.000 0.409 47 F N -0.643 119.326 119.950 0.033 0.000 2.748 47 F HA -0.303 4.256 4.527 0.053 0.000 0.370 47 F C 0.133 175.928 175.800 -0.008 0.000 0.620 47 F CA 0.605 58.601 58.000 -0.007 0.000 1.233 47 F CB -1.526 37.461 39.000 -0.022 0.000 1.708 47 F HN 0.468 nan 8.300 nan 0.000 0.298 48 M N 1.013 120.682 119.600 0.116 0.000 2.444 48 M HA 0.390 4.902 4.480 0.054 0.000 0.319 48 M C -1.949 174.384 176.300 0.056 0.000 1.183 48 M CA -1.458 53.892 55.300 0.083 0.000 1.032 48 M CB 0.750 33.383 32.600 0.055 0.000 1.569 48 M HN -0.370 nan 8.290 nan 0.000 0.468 49 P HA 0.069 nan 4.420 nan 0.000 0.266 49 P C -2.431 174.903 177.300 0.057 0.000 1.193 49 P CA -0.510 62.630 63.100 0.066 0.000 0.770 49 P CB -0.546 31.203 31.700 0.081 0.000 0.836 50 P HA 0.117 nan 4.420 nan 0.000 0.271 50 P C -0.466 176.874 177.300 0.067 0.000 1.216 50 P CA 0.265 63.398 63.100 0.054 0.000 0.771 50 P CB 0.783 32.548 31.700 0.108 0.000 0.864 51 E N 3.850 124.072 120.200 0.037 0.000 2.242 51 E HA 0.317 4.699 4.350 0.054 0.000 0.275 51 E C -2.155 174.487 176.600 0.070 0.000 1.002 51 E CA -2.339 54.094 56.400 0.054 0.000 0.841 51 E CB 0.261 29.983 29.700 0.037 0.000 1.109 51 E HN 0.351 nan 8.360 nan 0.000 0.394 52 P HA -0.104 nan 4.420 nan 0.000 0.264 52 P C -0.635 176.740 177.300 0.124 0.000 1.183 52 P CA 0.101 63.289 63.100 0.146 0.000 0.763 52 P CB 0.350 32.133 31.700 0.138 0.000 0.807 53 K N 4.225 124.722 120.400 0.161 0.000 2.484 53 K HA -0.003 4.349 4.320 0.054 0.000 0.280 53 K C 0.061 176.782 176.600 0.202 0.000 1.013 53 K CA 0.438 56.825 56.287 0.167 0.000 1.029 53 K CB 0.130 32.779 32.500 0.247 0.000 0.902 53 K HN 0.270 nan 8.250 nan 0.000 0.481 54 R N 5.200 125.802 120.500 0.169 0.000 2.590 54 R HA 0.148 4.520 4.340 0.054 0.000 0.274 54 R C -1.984 174.438 176.300 0.203 0.000 1.061 54 R CA -1.588 54.599 56.100 0.145 0.000 1.081 54 R CB 0.049 30.416 30.300 0.111 0.000 0.984 54 R HN 0.581 nan 8.270 nan 0.000 0.448 55 P HA -0.105 nan 4.420 nan 0.000 0.267 55 P C -1.176 176.164 177.300 0.067 0.000 1.201 55 P CA 0.205 63.233 63.100 -0.120 0.000 0.775 55 P CB 0.306 31.904 31.700 -0.170 0.000 0.854 56 W N 0.487 121.827 121.300 0.066 0.000 2.820 56 W HA 0.687 5.379 4.660 0.054 0.000 0.350 56 W C -0.556 175.992 176.519 0.048 0.000 1.116 56 W CA -0.986 56.393 57.345 0.057 0.000 1.146 56 W CB 0.021 29.523 29.460 0.069 0.000 1.433 56 W HN 0.378 nan 8.180 nan 0.000 0.561 57 S N 1.314 117.184 115.700 0.283 0.000 2.672 57 S HA 0.786 5.288 4.470 0.054 0.000 0.276 57 S C 0.686 175.441 174.600 0.259 0.000 1.207 57 S CA 0.098 58.399 58.200 0.169 0.000 1.002 57 S CB 0.760 64.031 63.200 0.119 0.000 0.998 57 S HN 2.132 nan 8.310 nan 0.000 0.542 58 G N 0.030 108.930 108.800 0.166 0.000 2.575 58 G HA2 -0.188 3.804 3.960 0.054 0.000 0.267 58 G HA3 -0.188 3.804 3.960 0.054 0.000 0.267 58 G C -0.548 174.498 174.900 0.243 0.000 1.264 58 G CA -0.120 45.079 45.100 0.164 0.000 0.935 58 G HN 1.742 nan 8.290 nan 0.000 0.568 59 V N 0.649 120.680 119.914 0.195 0.000 2.350 59 V HA 0.521 4.673 4.120 0.054 0.000 0.285 59 V C 0.488 176.666 176.094 0.139 0.000 1.014 59 V CA -0.422 61.998 62.300 0.200 0.000 0.831 59 V CB 1.194 33.091 31.823 0.124 0.000 1.000 59 V HN 0.851 nan 8.190 nan 0.000 0.433 60 L N 4.309 125.608 121.223 0.128 0.000 2.477 60 L HA 0.286 4.658 4.340 0.054 0.000 0.272 60 L C 0.440 177.281 176.870 -0.049 0.000 1.157 60 L CA 0.353 55.114 54.840 -0.132 0.000 0.889 60 L CB 0.535 42.250 42.059 -0.573 0.000 1.158 60 L HN 0.781 nan 8.230 nan 0.000 0.473 61 D N 4.690 125.045 120.400 -0.075 0.000 2.363 61 D HA 0.281 4.953 4.640 0.054 0.000 0.263 61 D C -0.052 176.194 176.300 -0.089 0.000 1.258 61 D CA 0.530 54.492 54.000 -0.063 0.000 0.907 61 D CB 0.885 41.638 40.800 -0.078 0.000 1.107 61 D HN 0.649 nan 8.370 nan 0.000 0.495 62 A N 3.309 126.104 122.820 -0.041 0.000 2.985 62 A HA 0.290 4.642 4.320 0.054 0.000 0.303 62 A C 0.924 178.432 177.584 -0.127 0.000 1.048 62 A CA -0.166 51.845 52.037 -0.044 0.000 1.016 62 A CB -0.214 18.862 19.000 0.128 0.000 1.118 62 A HN 0.572 nan 8.150 nan 0.000 0.529 63 T N -4.192 110.258 114.554 -0.173 0.000 3.044 63 T HA 0.318 4.701 4.350 0.054 0.000 0.260 63 T C 0.384 174.918 174.700 -0.277 0.000 1.019 63 T CA 0.366 62.328 62.100 -0.230 0.000 0.921 63 T CB 0.245 69.009 68.868 -0.173 0.000 1.053 63 T HN 0.188 nan 8.240 nan 0.000 0.533 64 T N 1.323 115.714 114.554 -0.271 0.000 2.933 64 T HA 0.588 4.971 4.350 0.054 0.000 0.305 64 T C -1.431 173.127 174.700 -0.237 0.000 1.092 64 T CA -0.644 61.302 62.100 -0.257 0.000 1.008 64 T CB 0.688 69.456 68.868 -0.167 0.000 1.102 64 T HN 0.121 nan 8.240 nan 0.000 0.469 65 F N 3.186 123.055 119.950 -0.136 0.000 2.518 65 F HA 0.276 4.835 4.527 0.054 0.000 0.359 65 F C 1.375 177.061 175.800 -0.189 0.000 1.118 65 F CA -0.084 57.837 58.000 -0.131 0.000 1.287 65 F CB 0.559 39.515 39.000 -0.073 0.000 1.132 65 F HN 0.385 nan 8.300 nan 0.000 0.587 66 Q N 1.684 121.476 119.800 -0.013 0.000 2.189 66 Q HA 0.188 4.560 4.340 0.054 0.000 0.193 66 Q C -0.017 175.904 176.000 -0.132 0.000 1.034 66 Q CA -0.613 55.016 55.803 -0.290 0.000 1.062 66 Q CB 0.525 28.717 28.738 -0.910 0.000 1.118 66 Q HN 0.528 nan 8.270 nan 0.000 0.569 67 N N -0.342 118.267 118.700 -0.151 0.000 2.381 67 N HA 0.044 4.816 4.740 0.054 0.000 0.241 67 N C -0.557 174.938 175.510 -0.024 0.000 1.279 67 N CA 0.055 53.067 53.050 -0.063 0.000 0.896 67 N CB 0.457 38.922 38.487 -0.037 0.000 1.118 67 N HN 0.168 nan 8.380 nan 0.000 0.438 68 V N 1.395 121.263 119.914 -0.077 0.000 2.546 68 V HA 0.071 4.223 4.120 0.054 0.000 0.284 68 V C 0.651 176.693 176.094 -0.087 0.000 1.050 68 V CA -0.821 61.415 62.300 -0.107 0.000 0.981 68 V CB 0.950 32.666 31.823 -0.179 0.000 0.990 68 V HN 0.704 nan 8.190 nan 0.000 0.474 69 c N 4.531 123.097 118.600 -0.057 0.000 2.563 69 c HA 0.032 4.634 4.570 0.054 0.000 0.411 69 c C 0.545 174.592 174.090 -0.072 0.000 1.386 69 c CA -0.443 55.863 56.329 -0.038 0.000 1.703 69 c CB -1.153 41.367 42.510 0.015 0.000 2.596 69 c HN 0.756 nan 8.230 nan 0.000 0.605 70 Y N 4.405 124.568 120.300 -0.228 0.000 2.721 70 Y HA 0.231 4.813 4.550 0.054 0.000 0.329 70 Y C 0.786 176.714 175.900 0.045 0.000 1.211 70 Y CA 1.020 58.975 58.100 -0.243 0.000 1.512 70 Y CB 0.095 38.150 38.460 -0.674 0.000 1.249 70 Y HN 0.743 nan 8.280 nan 0.000 0.549 71 Q N 4.439 124.162 119.800 -0.128 0.000 2.522 71 Q HA 0.207 4.579 4.340 0.054 0.000 0.285 71 Q C -1.754 174.300 176.000 0.090 0.000 0.982 71 Q CA -1.234 54.669 55.803 0.168 0.000 0.805 71 Q CB 1.224 30.027 28.738 0.109 0.000 1.457 71 Q HN 0.678 nan 8.270 nan 0.000 0.394 72 Y N 1.375 121.750 120.300 0.124 0.000 2.717 72 Y HA 0.235 4.817 4.550 0.053 0.000 0.330 72 Y C -0.841 175.063 175.900 0.008 0.000 1.217 72 Y CA 0.291 58.415 58.100 0.040 0.000 1.506 72 Y CB 0.712 39.151 38.460 -0.036 0.000 1.268 72 Y HN 0.439 nan 8.280 nan 0.000 0.561 73 V N 6.993 126.578 119.914 -0.549 0.000 2.439 73 V HA 0.086 4.238 4.120 0.054 0.000 0.282 73 V C -0.198 175.432 176.094 -0.773 0.000 1.039 73 V CA -0.875 61.158 62.300 -0.446 0.000 0.913 73 V CB 1.431 33.069 31.823 -0.309 0.000 0.983 73 V HN 0.775 nan 8.190 nan 0.000 0.460 74 D N 2.974 123.193 120.400 -0.303 0.000 2.382 74 D HA 0.273 4.945 4.640 0.054 0.000 0.245 74 D C 0.925 177.191 176.300 -0.058 0.000 1.120 74 D CA 0.462 54.414 54.000 -0.079 0.000 0.890 74 D CB 1.291 42.266 40.800 0.291 0.000 1.201 74 D HN 0.747 nan 8.370 nan 0.000 0.433 75 T N 0.857 115.414 114.554 0.004 0.000 3.144 75 T HA 0.037 4.419 4.350 0.054 0.000 0.290 75 T C 1.480 176.184 174.700 0.005 0.000 0.966 75 T CA -0.431 61.665 62.100 -0.007 0.000 0.907 75 T CB -0.166 68.676 68.868 -0.044 0.000 1.152 75 T HN 0.267 nan 8.240 nan 0.000 0.532 76 L N 0.845 122.076 121.223 0.014 0.000 2.012 76 L HA 0.168 4.540 4.340 0.054 0.000 0.210 76 L C -0.272 176.290 176.870 -0.513 0.000 1.073 76 L CA 1.642 56.306 54.840 -0.293 0.000 0.748 76 L CB -0.311 41.449 42.059 -0.498 0.000 0.891 76 L HN 0.384 nan 8.230 nan 0.000 0.431 77 Y N -0.255 120.077 120.300 0.053 0.000 2.787 77 Y HA 0.440 5.022 4.550 0.054 0.000 0.352 77 Y C -2.269 173.674 175.900 0.071 0.000 1.027 77 Y CA -3.557 54.548 58.100 0.008 0.000 1.219 77 Y CB -0.082 38.321 38.460 -0.094 0.000 1.110 77 Y HN 0.055 nan 8.280 nan 0.000 0.614 78 P HA 0.164 nan 4.420 nan 0.000 0.267 78 P C 1.000 178.356 177.300 0.094 0.000 1.205 78 P CA 1.106 64.259 63.100 0.089 0.000 0.765 78 P CB 0.925 32.648 31.700 0.039 0.000 0.828 79 G N 2.287 111.126 108.800 0.065 0.000 2.179 79 G HA2 -0.291 3.701 3.960 0.054 0.000 0.260 79 G HA3 -0.291 3.701 3.960 0.054 0.000 0.260 79 G C -0.055 174.876 174.900 0.051 0.000 0.977 79 G CA -0.388 44.730 45.100 0.030 0.000 0.641 79 G HN 0.538 nan 8.290 nan 0.000 0.533 80 F N 1.959 121.863 119.950 -0.076 0.000 2.445 80 F HA 0.598 5.157 4.527 0.053 0.000 0.359 80 F C 1.361 177.054 175.800 -0.179 0.000 1.101 80 F CA -0.613 57.289 58.000 -0.164 0.000 1.177 80 F CB 1.295 40.168 39.000 -0.210 0.000 1.110 80 F HN 0.141 nan 8.300 nan 0.000 0.522 81 E N 4.117 123.860 120.200 -0.762 0.000 2.097 81 E HA -0.114 4.268 4.350 0.054 0.000 0.196 81 E C 2.217 178.307 176.600 -0.849 0.000 1.000 81 E CA 1.976 57.969 56.400 -0.678 0.000 0.804 81 E CB -0.550 28.829 29.700 -0.536 0.000 0.740 81 E HN 0.894 nan 8.360 nan 0.000 0.454 82 G N -0.826 106.935 108.800 -1.732 0.000 2.450 82 G HA2 -0.313 3.679 3.960 0.054 0.000 0.220 82 G HA3 -0.313 3.679 3.960 0.054 0.000 0.220 82 G C 1.719 176.629 174.900 0.017 0.000 1.130 82 G CA 1.753 46.165 45.100 -1.147 0.000 0.760 82 G HN 0.506 nan 8.290 nan 0.000 0.557 83 T N -1.955 112.607 114.554 0.013 0.000 2.983 83 T HA 0.117 4.499 4.350 0.054 0.000 0.250 83 T C 1.929 176.793 174.700 0.274 0.000 1.037 83 T CA 0.917 63.343 62.100 0.545 0.000 1.142 83 T CB -0.011 69.239 68.868 0.637 0.000 0.876 83 T HN 0.136 nan 8.240 nan 0.000 0.455 84 E N 2.095 122.302 120.200 0.012 0.000 2.268 84 E HA -0.055 4.327 4.350 0.054 0.000 0.195 84 E C 2.183 178.685 176.600 -0.162 0.000 0.995 84 E CA 1.127 57.494 56.400 -0.055 0.000 0.836 84 E CB -0.458 29.181 29.700 -0.103 0.000 0.763 84 E HN 0.815 nan 8.360 nan 0.000 0.491 85 M N -2.565 116.851 119.600 -0.308 0.000 2.549 85 M HA -0.043 4.469 4.480 0.054 0.000 0.260 85 M C 1.217 177.106 176.300 -0.684 0.000 1.076 85 M CA 1.314 56.282 55.300 -0.552 0.000 1.090 85 M CB -0.408 31.756 32.600 -0.727 0.000 1.418 85 M HN -0.009 nan 8.290 nan 0.000 0.486 86 W N 0.578 121.812 121.300 -0.111 0.000 3.013 86 W HA 0.294 4.986 4.660 0.053 0.000 0.280 86 W C 0.493 176.918 176.519 -0.158 0.000 1.249 86 W CA -0.950 56.304 57.345 -0.152 0.000 1.577 86 W CB -0.057 29.360 29.460 -0.073 0.000 1.057 86 W HN 0.068 nan 8.180 nan 0.000 0.613 87 N N 2.761 121.492 118.700 0.052 0.000 2.416 87 N HA 0.045 4.817 4.740 0.054 0.000 0.246 87 N C -2.318 173.119 175.510 -0.121 0.000 1.260 87 N CA -0.924 52.109 53.050 -0.029 0.000 0.897 87 N CB -0.069 38.397 38.487 -0.035 0.000 1.110 87 N HN -0.257 nan 8.380 nan 0.000 0.439 88 P HA 0.016 nan 4.420 nan 0.000 0.263 88 P C -0.009 177.187 177.300 -0.173 0.000 1.195 88 P CA -0.027 62.962 63.100 -0.186 0.000 0.762 88 P CB 0.249 31.830 31.700 -0.197 0.000 0.799 89 N N 2.905 121.490 118.700 -0.191 0.000 2.251 89 N HA 0.072 4.844 4.740 0.054 0.000 0.217 89 N C 0.196 175.629 175.510 -0.129 0.000 1.124 89 N CA -0.134 52.818 53.050 -0.162 0.000 0.843 89 N CB 0.268 38.641 38.487 -0.189 0.000 1.024 89 N HN 0.190 nan 8.380 nan 0.000 0.501 90 R N -0.217 120.202 120.500 -0.135 0.000 2.817 90 R HA 0.319 4.691 4.340 0.054 0.000 0.268 90 R C -0.454 175.779 176.300 -0.111 0.000 1.027 90 R CA -0.635 55.404 56.100 -0.102 0.000 0.928 90 R CB 0.685 30.933 30.300 -0.087 0.000 1.228 90 R HN 0.080 nan 8.270 nan 0.000 0.469 91 E N 1.624 121.770 120.200 -0.090 0.000 2.413 91 E HA 0.093 4.475 4.350 0.054 0.000 0.263 91 E C -0.046 176.492 176.600 -0.104 0.000 1.015 91 E CA 0.103 56.451 56.400 -0.087 0.000 0.916 91 E CB 0.432 30.095 29.700 -0.061 0.000 0.947 91 E HN 0.277 nan 8.360 nan 0.000 0.440 92 L N 1.991 123.132 121.223 -0.137 0.000 2.380 92 L HA 0.196 4.568 4.340 0.054 0.000 0.273 92 L C 0.758 177.618 176.870 -0.015 0.000 1.138 92 L CA 0.121 54.844 54.840 -0.195 0.000 0.832 92 L CB 0.706 42.447 42.059 -0.529 0.000 1.124 92 L HN 0.343 nan 8.230 nan 0.000 0.454 93 S N 0.968 116.680 115.700 0.020 0.000 2.537 93 S HA 0.209 4.711 4.470 0.054 0.000 0.271 93 S C 0.272 174.861 174.600 -0.019 0.000 1.148 93 S CA -0.687 57.547 58.200 0.057 0.000 0.868 93 S CB 1.662 64.869 63.200 0.012 0.000 1.115 93 S HN 0.738 nan 8.310 nan 0.000 0.461 94 E N 0.979 121.101 120.200 -0.130 0.000 2.338 94 E HA -0.070 4.312 4.350 0.054 0.000 0.197 94 E C -0.327 176.191 176.600 -0.137 0.000 1.007 94 E CA 0.538 56.791 56.400 -0.245 0.000 0.849 94 E CB 0.101 29.586 29.700 -0.357 0.000 0.774 94 E HN 0.519 nan 8.360 nan 0.000 0.506 95 D N 0.344 120.704 120.400 -0.066 0.000 2.494 95 D HA 0.015 4.687 4.640 0.054 0.000 0.217 95 D C -0.074 176.299 176.300 0.121 0.000 1.153 95 D CA -0.409 53.581 54.000 -0.016 0.000 0.954 95 D CB 0.027 40.839 40.800 0.020 0.000 1.034 95 D HN 0.132 nan 8.370 nan 0.000 0.518 96 c N 2.395 121.004 118.600 0.014 0.000 3.798 96 c HA 0.350 4.953 4.570 0.054 0.000 0.285 96 c C 0.508 174.586 174.090 -0.020 0.000 1.968 96 c CA -0.687 55.738 56.329 0.159 0.000 1.685 96 c CB -1.268 41.282 42.510 0.067 0.000 3.276 96 c HN 0.439 nan 8.230 nan 0.000 0.525 97 L N 2.631 123.530 121.223 -0.540 0.000 2.395 97 L HA 0.399 4.772 4.340 0.054 0.000 0.268 97 L C -0.991 175.102 176.870 -1.295 0.000 1.223 97 L CA 0.667 54.976 54.840 -0.886 0.000 1.093 97 L CB -0.574 40.843 42.059 -1.070 0.000 1.349 97 L HN 0.390 nan 8.230 nan 0.000 0.427 98 Y N 2.162 122.397 120.300 -0.108 0.000 2.524 98 Y HA 0.601 5.183 4.550 0.053 0.000 0.347 98 Y C -0.148 175.946 175.900 0.324 0.000 1.005 98 Y CA -1.223 56.905 58.100 0.048 0.000 1.025 98 Y CB 2.006 40.456 38.460 -0.016 0.000 1.275 98 Y HN 0.217 nan 8.280 nan 0.000 0.460 99 L N 0.067 121.483 121.223 0.322 0.000 2.309 99 L HA 0.785 5.157 4.340 0.054 0.000 0.261 99 L C -1.131 175.750 176.870 0.019 0.000 1.021 99 L CA -1.148 53.767 54.840 0.124 0.000 0.823 99 L CB 1.593 43.563 42.059 -0.148 0.000 1.366 99 L HN 0.432 nan 8.230 nan 0.000 0.423 100 N N 0.212 118.936 118.700 0.040 0.000 2.269 100 N HA 0.713 5.486 4.740 0.054 0.000 0.304 100 N C -1.460 173.973 175.510 -0.130 0.000 1.072 100 N CA -0.425 52.551 53.050 -0.123 0.000 0.802 100 N CB 2.833 41.255 38.487 -0.108 0.000 1.348 100 N HN 0.496 nan 8.380 nan 0.000 0.484 101 V N 1.772 121.541 119.914 -0.241 0.000 2.483 101 V HA 0.428 4.580 4.120 0.054 0.000 0.297 101 V C -0.761 175.337 176.094 0.007 0.000 1.027 101 V CA -0.809 61.459 62.300 -0.053 0.000 0.855 101 V CB 1.941 33.560 31.823 -0.341 0.000 0.995 101 V HN 0.536 nan 8.190 nan 0.000 0.424 102 W N 3.097 124.529 121.300 0.219 0.000 2.520 102 W HA 0.664 5.356 4.660 0.054 0.000 0.323 102 W C 0.311 176.973 176.519 0.239 0.000 1.062 102 W CA -0.428 57.050 57.345 0.221 0.000 1.215 102 W CB 2.438 31.994 29.460 0.160 0.000 1.340 102 W HN 0.640 nan 8.180 nan 0.000 0.516 103 T N -0.142 114.704 114.554 0.487 0.000 2.864 103 T HA 0.568 4.950 4.350 0.054 0.000 0.289 103 T C -2.772 172.117 174.700 0.316 0.000 1.082 103 T CA -2.519 59.808 62.100 0.378 0.000 1.009 103 T CB 2.056 71.162 68.868 0.397 0.000 1.234 103 T HN -0.066 nan 8.240 nan 0.000 0.526 104 P HA 0.222 nan 4.420 nan 0.000 0.270 104 P C -1.546 175.891 177.300 0.228 0.000 1.223 104 P CA -0.256 62.968 63.100 0.207 0.000 0.785 104 P CB 0.111 31.901 31.700 0.151 0.000 0.923 105 Y N 2.826 123.190 120.300 0.107 0.000 2.345 105 Y HA 0.401 4.983 4.550 0.054 0.000 0.331 105 Y C -2.118 173.821 175.900 0.066 0.000 0.959 105 Y CA -2.438 55.714 58.100 0.087 0.000 1.204 105 Y CB 1.092 39.589 38.460 0.062 0.000 1.135 105 Y HN 0.342 nan 8.280 nan 0.000 0.477 106 P HA 0.195 nan 4.420 nan 0.000 0.276 106 P C -1.085 176.161 177.300 -0.090 0.000 1.261 106 P CA -0.724 62.210 63.100 -0.276 0.000 0.800 106 P CB 0.837 32.428 31.700 -0.181 0.000 1.066 107 R N 1.918 122.353 120.500 -0.109 0.000 2.481 107 R HA 0.002 4.374 4.340 0.054 0.000 0.291 107 R C -1.727 174.588 176.300 0.024 0.000 0.934 107 R CA -0.545 55.563 56.100 0.014 0.000 1.116 107 R CB -0.757 29.541 30.300 -0.004 0.000 0.895 107 R HN 0.363 nan 8.270 nan 0.000 0.410 108 P HA -0.059 nan 4.420 nan 0.000 0.266 108 P C -0.322 176.997 177.300 0.031 0.000 1.195 108 P CA 0.371 63.502 63.100 0.052 0.000 0.768 108 P CB 1.070 32.813 31.700 0.071 0.000 0.838 109 A N 3.376 126.210 122.820 0.023 0.000 1.873 109 A HA -0.054 4.298 4.320 0.054 0.000 0.215 109 A C 1.185 178.776 177.584 0.012 0.000 1.186 109 A CA 1.634 53.678 52.037 0.012 0.000 0.616 109 A CB -1.091 17.915 19.000 0.011 0.000 0.823 109 A HN 0.717 nan 8.150 nan 0.000 0.442 110 S N -0.551 115.158 115.700 0.017 0.000 2.651 110 S HA 0.577 5.079 4.470 0.054 0.000 0.291 110 S C -3.001 171.611 174.600 0.021 0.000 1.141 110 S CA -1.846 56.361 58.200 0.013 0.000 1.027 110 S CB 0.830 64.035 63.200 0.009 0.000 1.043 110 S HN 0.061 nan 8.310 nan 0.000 0.530 111 P HA 0.133 nan 4.420 nan 0.000 0.261 111 P C -0.614 176.702 177.300 0.028 0.000 1.183 111 P CA 0.390 63.505 63.100 0.024 0.000 0.761 111 P CB -0.005 31.701 31.700 0.009 0.000 0.785 112 T N 5.760 120.344 114.554 0.049 0.000 2.829 112 T HA 0.377 4.759 4.350 0.054 0.000 0.282 112 T C -2.373 172.360 174.700 0.055 0.000 0.990 112 T CA -1.938 60.193 62.100 0.052 0.000 1.028 112 T CB 0.701 69.615 68.868 0.076 0.000 0.951 112 T HN 0.143 nan 8.240 nan 0.000 0.460 113 P HA 0.061 nan 4.420 nan 0.000 0.263 113 P C -0.881 176.465 177.300 0.077 0.000 1.175 113 P CA -0.040 63.083 63.100 0.039 0.000 0.761 113 P CB 0.327 32.032 31.700 0.007 0.000 0.794 114 V N 5.206 125.184 119.914 0.106 0.000 2.398 114 V HA 0.288 4.440 4.120 0.054 0.000 0.286 114 V C 0.235 176.426 176.094 0.162 0.000 1.026 114 V CA -0.484 61.904 62.300 0.147 0.000 0.868 114 V CB 1.241 33.162 31.823 0.164 0.000 0.982 114 V HN 0.294 nan 8.190 nan 0.000 0.443 115 L N 6.008 127.343 121.223 0.186 0.000 2.282 115 L HA 0.562 4.934 4.340 0.054 0.000 0.288 115 L C -0.281 176.881 176.870 0.485 0.000 1.033 115 L CA 0.101 55.086 54.840 0.242 0.000 0.807 115 L CB 1.395 43.433 42.059 -0.036 0.000 1.209 115 L HN 0.467 nan 8.230 nan 0.000 0.423 116 I N 2.700 123.580 120.570 0.517 0.000 2.330 116 I HA 0.197 4.399 4.170 0.054 0.000 0.289 116 I C -0.673 175.710 176.117 0.443 0.000 1.001 116 I CA -0.459 61.095 61.300 0.424 0.000 1.193 116 I CB 1.052 39.159 38.000 0.177 0.000 1.345 116 I HN 0.647 nan 8.210 nan 0.000 0.461 117 W N 8.486 129.864 121.300 0.130 0.000 2.351 117 W HA 0.557 5.249 4.660 0.053 0.000 0.311 117 W C -1.485 174.910 176.519 -0.206 0.000 1.168 117 W CA -0.599 56.556 57.345 -0.317 0.000 1.200 117 W CB 1.148 30.482 29.460 -0.211 0.000 1.221 117 W HN 0.364 nan 8.180 nan 0.000 0.519 118 I N 8.865 128.690 120.570 -1.242 0.000 2.382 118 I HA 0.091 4.293 4.170 0.054 0.000 0.285 118 I C -0.236 175.001 176.117 -1.467 0.000 1.007 118 I CA -1.114 59.577 61.300 -1.016 0.000 1.142 118 I CB 0.850 38.441 38.000 -0.682 0.000 1.289 118 I HN 0.301 nan 8.210 nan 0.000 0.453 119 Y N 4.544 124.374 120.300 -0.783 0.000 2.426 119 Y HA 0.675 5.257 4.550 0.053 0.000 0.344 119 Y C 0.845 176.545 175.900 -0.333 0.000 1.256 119 Y CA -0.777 56.996 58.100 -0.544 0.000 1.451 119 Y CB -0.105 38.298 38.460 -0.095 0.000 1.342 119 Y HN 0.531 nan 8.280 nan 0.000 0.600 120 G N -0.974 107.799 108.800 -0.044 0.000 2.543 120 G HA2 0.473 4.465 3.960 0.054 0.000 0.267 120 G HA3 0.473 4.465 3.960 0.054 0.000 0.267 120 G C 0.398 175.198 174.900 -0.167 0.000 1.406 120 G CA -0.886 44.084 45.100 -0.217 0.000 1.048 120 G HN 1.723 nan 8.290 nan 0.000 0.548 121 G N -2.971 105.530 108.800 -0.498 0.000 2.174 121 G HA2 0.384 4.376 3.960 0.054 0.000 0.140 121 G HA3 0.384 4.376 3.960 0.054 0.000 0.140 121 G C 1.102 175.315 174.900 -1.145 0.000 1.031 121 G CA 0.737 45.416 45.100 -0.701 0.000 0.728 121 G HN 2.351 nan 8.290 nan 0.000 0.496 122 G N -0.458 107.691 108.800 -1.084 0.000 2.203 122 G HA2 -0.105 3.887 3.960 0.054 0.000 0.263 122 G HA3 -0.105 3.887 3.960 0.054 0.000 0.263 122 G C 0.885 175.414 174.900 -0.619 0.000 1.012 122 G CA 0.739 44.943 45.100 -1.493 0.000 0.749 122 G HN 1.737 nan 8.290 nan 0.000 0.512 123 F N -3.322 116.461 119.950 -0.278 0.000 2.935 123 F HA -0.321 4.238 4.527 0.054 0.000 0.317 123 F C 1.479 177.449 175.800 0.283 0.000 0.699 123 F CA 2.246 60.264 58.000 0.029 0.000 1.127 123 F CB -2.056 36.795 39.000 -0.248 0.000 1.491 123 F HN 0.953 nan 8.300 nan 0.000 0.337 124 Y N -1.215 119.242 120.300 0.262 0.000 2.453 124 Y HA 0.656 5.238 4.550 0.053 0.000 0.247 124 Y C 0.574 176.588 175.900 0.189 0.000 1.124 124 Y CA 0.154 58.439 58.100 0.310 0.000 1.243 124 Y CB -0.039 38.606 38.460 0.310 0.000 1.213 124 Y HN 0.090 nan 8.280 nan 0.000 0.523 125 S N -0.909 114.601 115.700 -0.316 0.000 2.672 125 S HA 0.884 5.386 4.470 0.054 0.000 0.271 125 S C -0.181 174.267 174.600 -0.253 0.000 1.171 125 S CA -0.483 57.581 58.200 -0.228 0.000 0.817 125 S CB 1.503 64.534 63.200 -0.282 0.000 1.150 125 S HN 1.373 nan 8.310 nan 0.000 0.478 126 G N -0.669 107.920 108.800 -0.352 0.000 2.392 126 G HA2 0.559 4.551 3.960 0.054 0.000 0.677 126 G HA3 0.559 4.551 3.960 0.054 0.000 0.677 126 G C -0.727 173.454 174.900 -1.199 0.000 1.334 126 G CA -0.207 44.506 45.100 -0.645 0.000 0.961 126 G HN 2.248 nan 8.290 nan 0.000 0.616 127 A N -1.293 120.709 122.820 -1.363 0.000 2.594 127 A HA 0.974 5.326 4.320 0.054 0.000 0.296 127 A C 0.457 177.816 177.584 -0.376 0.000 1.056 127 A CA 0.583 52.087 52.037 -0.889 0.000 0.693 127 A CB 0.929 19.664 19.000 -0.441 0.000 1.278 127 A HN 2.590 nan 8.150 nan 0.000 0.408 128 A N 0.527 123.357 122.820 0.018 0.000 2.259 128 A HA 0.346 4.698 4.320 0.054 0.000 0.208 128 A C 1.468 179.063 177.584 0.017 0.000 1.201 128 A CA 1.514 53.758 52.037 0.344 0.000 0.824 128 A CB -0.613 18.662 19.000 0.458 0.000 0.838 128 A HN 1.791 nan 8.150 nan 0.000 0.485 129 S N -0.914 114.530 115.700 -0.426 0.000 2.539 129 S HA 0.347 4.849 4.470 0.054 0.000 0.221 129 S C 0.433 174.571 174.600 -0.769 0.000 0.987 129 S CA -0.453 56.973 58.200 -1.291 0.000 0.929 129 S CB -0.464 61.973 63.200 -1.270 0.000 0.832 129 S HN 0.346 nan 8.310 nan 0.000 0.492 130 L N 2.508 123.434 121.223 -0.495 0.000 2.483 130 L HA 0.142 4.514 4.340 0.054 0.000 0.276 130 L C 1.192 177.728 176.870 -0.558 0.000 1.213 130 L CA -0.378 54.118 54.840 -0.573 0.000 0.843 130 L CB 0.196 41.754 42.059 -0.836 0.000 1.107 130 L HN 0.086 nan 8.230 nan 0.000 0.487 131 D N 1.188 121.315 120.400 -0.454 0.000 2.158 131 D HA -0.153 4.519 4.640 0.054 0.000 0.197 131 D C 1.979 178.016 176.300 -0.439 0.000 0.995 131 D CA 1.455 55.258 54.000 -0.328 0.000 0.846 131 D CB -0.025 40.614 40.800 -0.268 0.000 0.941 131 D HN 0.545 nan 8.370 nan 0.000 0.456 132 V N -1.407 118.083 119.914 -0.707 0.000 3.078 132 V HA -0.153 3.999 4.120 0.054 0.000 0.265 132 V C 1.105 176.640 176.094 -0.931 0.000 1.122 132 V CA 1.049 62.910 62.300 -0.731 0.000 1.141 132 V CB -1.085 30.254 31.823 -0.806 0.000 0.735 132 V HN 0.070 nan 8.190 nan 0.000 0.498 133 Y N 0.092 119.790 120.300 -1.005 0.000 2.607 133 Y HA 0.451 5.033 4.550 0.053 0.000 0.266 133 Y C 0.825 176.062 175.900 -1.106 0.000 1.178 133 Y CA -1.996 55.073 58.100 -1.719 0.000 1.226 133 Y CB -0.805 37.037 38.460 -1.031 0.000 1.144 133 Y HN 0.235 nan 8.280 nan 0.000 0.528 134 D N 0.966 121.050 120.400 -0.527 0.000 2.389 134 D HA 0.031 4.703 4.640 0.054 0.000 0.263 134 D C 1.361 177.327 176.300 -0.556 0.000 1.255 134 D CA 0.521 54.288 54.000 -0.388 0.000 0.914 134 D CB 1.248 41.980 40.800 -0.113 0.000 1.116 134 D HN 0.477 nan 8.370 nan 0.000 0.502 135 G N 4.179 112.041 108.800 -1.563 0.000 2.985 135 G HA2 -0.153 3.839 3.960 0.054 0.000 0.209 135 G HA3 -0.153 3.839 3.960 0.054 0.000 0.209 135 G C 1.504 175.869 174.900 -0.892 0.000 1.165 135 G CA 0.054 44.497 45.100 -1.096 0.000 0.776 135 G HN 0.588 nan 8.290 nan 0.000 0.541 136 R N -0.279 119.601 120.500 -1.033 0.000 2.096 136 R HA -0.054 4.318 4.340 0.054 0.000 0.235 136 R C 1.670 177.724 176.300 -0.411 0.000 1.127 136 R CA 1.198 56.952 56.100 -0.576 0.000 0.968 136 R CB -0.752 29.222 30.300 -0.545 0.000 0.861 136 R HN 0.302 nan 8.270 nan 0.000 0.440 137 F N 1.710 121.584 119.950 -0.126 0.000 2.102 137 F HA -0.032 4.528 4.527 0.054 0.000 0.298 137 F C 2.411 178.171 175.800 -0.067 0.000 1.105 137 F CA 1.021 58.974 58.000 -0.079 0.000 1.239 137 F CB -0.632 38.311 39.000 -0.094 0.000 0.991 137 F HN -0.113 nan 8.300 nan 0.000 0.474 138 L N -0.323 120.946 121.223 0.076 0.000 2.141 138 L HA -0.144 4.228 4.340 0.054 0.000 0.209 138 L C 2.647 179.544 176.870 0.044 0.000 1.094 138 L CA 1.008 55.856 54.840 0.014 0.000 0.763 138 L CB -0.932 41.083 42.059 -0.073 0.000 0.908 138 L HN 0.165 nan 8.230 nan 0.000 0.437 139 A N -0.959 121.895 122.820 0.057 0.000 1.898 139 A HA -0.210 4.143 4.320 0.054 0.000 0.216 139 A C 2.298 179.947 177.584 0.108 0.000 1.181 139 A CA 1.456 53.568 52.037 0.125 0.000 0.620 139 A CB -0.351 18.775 19.000 0.211 0.000 0.819 139 A HN 0.391 nan 8.150 nan 0.000 0.442 140 Q N -0.176 119.669 119.800 0.076 0.000 2.013 140 Q HA -0.037 4.335 4.340 0.054 0.000 0.195 140 Q C 2.180 178.226 176.000 0.076 0.000 0.974 140 Q CA 1.836 57.686 55.803 0.078 0.000 0.826 140 Q CB -0.325 28.445 28.738 0.052 0.000 0.895 140 Q HN 0.365 nan 8.270 nan 0.000 0.448 141 V N 1.705 121.665 119.914 0.077 0.000 2.427 141 V HA -0.151 4.001 4.120 0.054 0.000 0.248 141 V C 1.733 177.853 176.094 0.044 0.000 1.051 141 V CA 1.756 64.093 62.300 0.060 0.000 1.048 141 V CB -0.212 31.645 31.823 0.058 0.000 0.666 141 V HN 0.293 nan 8.190 nan 0.000 0.456 142 E N -0.872 119.355 120.200 0.045 0.000 2.511 142 E HA 0.219 4.601 4.350 0.054 0.000 0.209 142 E C 1.711 178.338 176.600 0.046 0.000 0.986 142 E CA 0.740 57.160 56.400 0.034 0.000 0.974 142 E CB 0.851 30.561 29.700 0.017 0.000 1.030 142 E HN 0.570 nan 8.360 nan 0.000 0.490 143 G N 1.881 110.720 108.800 0.065 0.000 2.155 143 G HA2 -0.330 3.662 3.960 0.054 0.000 0.257 143 G HA3 -0.330 3.662 3.960 0.054 0.000 0.257 143 G C 0.533 175.486 174.900 0.089 0.000 0.983 143 G CA 0.384 45.531 45.100 0.079 0.000 0.676 143 G HN 0.452 nan 8.290 nan 0.000 0.528 144 A N -0.227 122.644 122.820 0.086 0.000 2.450 144 A HA 0.612 4.965 4.320 0.054 0.000 0.255 144 A C 0.720 178.396 177.584 0.153 0.000 1.096 144 A CA 0.210 52.303 52.037 0.094 0.000 0.778 144 A CB 0.875 19.910 19.000 0.059 0.000 1.031 144 A HN 1.136 nan 8.150 nan 0.000 0.494 145 V N 4.265 124.276 119.914 0.162 0.000 2.415 145 V HA 0.165 4.317 4.120 0.054 0.000 0.267 145 V C 0.185 176.425 176.094 0.245 0.000 1.042 145 V CA 0.235 62.662 62.300 0.212 0.000 1.000 145 V CB 0.360 32.293 31.823 0.184 0.000 1.015 145 V HN 0.702 nan 8.190 nan 0.000 0.478 146 L N 7.004 128.433 121.223 0.343 0.000 2.298 146 L HA 0.614 4.986 4.340 0.054 0.000 0.284 146 L C -0.548 176.659 176.870 0.560 0.000 1.013 146 L CA -0.250 54.848 54.840 0.431 0.000 0.824 146 L CB 1.490 43.785 42.059 0.392 0.000 1.221 146 L HN 0.412 nan 8.230 nan 0.000 0.418 147 V N 3.549 123.745 119.914 0.470 0.000 2.532 147 V HA 0.647 4.799 4.120 0.054 0.000 0.295 147 V C -0.081 176.309 176.094 0.493 0.000 1.041 147 V CA -0.368 62.174 62.300 0.402 0.000 0.926 147 V CB 1.772 33.745 31.823 0.250 0.000 0.992 147 V HN 0.868 nan 8.190 nan 0.000 0.457 148 S N 5.442 121.433 115.700 0.485 0.000 2.547 148 S HA 0.808 5.310 4.470 0.054 0.000 0.281 148 S C -0.822 173.963 174.600 0.308 0.000 1.118 148 S CA -0.862 57.616 58.200 0.463 0.000 0.947 148 S CB 2.055 65.662 63.200 0.678 0.000 1.053 148 S HN 0.798 nan 8.310 nan 0.000 0.482 149 M N 1.500 121.224 119.600 0.208 0.000 2.644 149 M HA 0.650 5.162 4.480 0.054 0.000 0.316 149 M C -1.364 175.165 176.300 0.382 0.000 1.200 149 M CA -0.498 54.920 55.300 0.197 0.000 0.944 149 M CB 0.737 33.264 32.600 -0.123 0.000 1.691 149 M HN 0.537 nan 8.290 nan 0.000 0.471 150 N N 2.368 121.359 118.700 0.486 0.000 2.529 150 N HA 0.545 5.317 4.740 0.054 0.000 0.278 150 N C -1.368 174.432 175.510 0.483 0.000 1.146 150 N CA 0.078 53.431 53.050 0.505 0.000 0.980 150 N CB 0.504 39.202 38.487 0.352 0.000 1.124 150 N HN 0.704 nan 8.380 nan 0.000 0.458 151 Y N -1.754 118.727 120.300 0.302 0.000 2.545 151 Y HA 0.588 5.170 4.550 0.053 0.000 0.348 151 Y C -0.037 176.000 175.900 0.228 0.000 1.002 151 Y CA -1.367 56.859 58.100 0.209 0.000 1.039 151 Y CB 0.908 39.413 38.460 0.074 0.000 1.271 151 Y HN 0.195 nan 8.280 nan 0.000 0.467 152 R N 1.742 122.376 120.500 0.223 0.000 2.537 152 R HA 0.488 4.860 4.340 0.054 0.000 0.280 152 R C -0.374 176.067 176.300 0.235 0.000 1.058 152 R CA -0.243 55.947 56.100 0.150 0.000 1.057 152 R CB 0.812 31.172 30.300 0.100 0.000 0.973 152 R HN 0.711 nan 8.270 nan 0.000 0.438 153 V N -0.095 120.014 119.914 0.325 0.000 3.103 153 V HA 0.862 5.014 4.120 0.054 0.000 0.318 153 V C 0.838 177.291 176.094 0.600 0.000 1.114 153 V CA -0.193 62.424 62.300 0.528 0.000 1.020 153 V CB 1.192 33.233 31.823 0.363 0.000 1.085 153 V HN 0.965 nan 8.190 nan 0.000 0.446 154 G N 2.018 111.247 108.800 0.716 0.000 2.581 154 G HA2 -0.319 3.673 3.960 0.054 0.000 0.291 154 G HA3 -0.319 3.673 3.960 0.054 0.000 0.291 154 G C 1.038 176.153 174.900 0.358 0.000 1.277 154 G CA 1.680 47.155 45.100 0.624 0.000 0.959 154 G HN 2.292 nan 8.290 nan 0.000 0.554 155 T N -1.605 112.861 114.554 -0.148 0.000 2.699 155 T HA -0.136 4.246 4.350 0.054 0.000 0.268 155 T C 2.119 176.741 174.700 -0.130 0.000 1.036 155 T CA 2.644 64.403 62.100 -0.568 0.000 1.147 155 T CB -0.427 67.952 68.868 -0.815 0.000 0.862 155 T HN 0.558 nan 8.240 nan 0.000 0.446 156 F N 2.256 122.317 119.950 0.185 0.000 2.171 156 F HA 0.207 4.766 4.527 0.053 0.000 0.300 156 F C 2.838 178.657 175.800 0.032 0.000 1.090 156 F CA 0.819 58.862 58.000 0.072 0.000 1.293 156 F CB -1.121 37.883 39.000 0.005 0.000 1.013 156 F HN 0.358 nan 8.300 nan 0.000 0.486 157 G N -1.764 107.125 108.800 0.149 0.000 2.492 157 G HA2 -0.038 3.954 3.960 0.054 0.000 0.214 157 G HA3 -0.038 3.954 3.960 0.054 0.000 0.214 157 G C 0.902 175.358 174.900 -0.740 0.000 1.147 157 G CA 0.305 45.199 45.100 -0.344 0.000 0.809 157 G HN 0.353 nan 8.290 nan 0.000 0.533 158 F N -0.598 119.482 119.950 0.217 0.000 2.838 158 F HA 0.437 4.997 4.527 0.054 0.000 0.329 158 F C 0.412 176.325 175.800 0.187 0.000 1.116 158 F CA -0.989 57.115 58.000 0.175 0.000 1.155 158 F CB 0.358 39.467 39.000 0.182 0.000 1.106 158 F HN -0.100 nan 8.300 nan 0.000 0.538 159 L N 2.307 123.594 121.223 0.106 0.000 2.562 159 L HA 0.489 4.861 4.340 0.054 0.000 0.271 159 L C 0.105 176.949 176.870 -0.042 0.000 1.167 159 L CA 0.019 54.801 54.840 -0.097 0.000 0.917 159 L CB 0.159 41.834 42.059 -0.640 0.000 1.187 159 L HN 0.143 nan 8.230 nan 0.000 0.482 160 A N 6.270 129.124 122.820 0.058 0.000 2.343 160 A HA 0.652 5.004 4.320 0.054 0.000 0.316 160 A C -0.888 176.689 177.584 -0.012 0.000 1.104 160 A CA -0.584 51.467 52.037 0.023 0.000 0.768 160 A CB 1.064 20.105 19.000 0.068 0.000 1.213 160 A HN 0.701 nan 8.150 nan 0.000 0.456 161 L N 4.269 125.466 121.223 -0.044 0.000 2.417 161 L HA 0.311 4.683 4.340 0.054 0.000 0.258 161 L C -2.337 174.528 176.870 -0.008 0.000 1.088 161 L CA -1.521 53.299 54.840 -0.032 0.000 0.975 161 L CB 1.167 43.193 42.059 -0.056 0.000 1.341 161 L HN 0.415 nan 8.230 nan 0.000 0.431 162 P HA 0.096 nan 4.420 nan 0.000 0.262 162 P C 0.977 178.283 177.300 0.010 0.000 1.182 162 P CA 0.788 63.895 63.100 0.011 0.000 0.761 162 P CB 0.980 32.685 31.700 0.009 0.000 0.795 163 G N 1.929 110.739 108.800 0.017 0.000 2.317 163 G HA2 -0.258 3.734 3.960 0.054 0.000 0.227 163 G HA3 -0.258 3.734 3.960 0.054 0.000 0.227 163 G C 0.461 175.371 174.900 0.016 0.000 1.042 163 G CA 0.229 45.339 45.100 0.016 0.000 0.623 163 G HN 0.812 nan 8.290 nan 0.000 0.509 164 S N 0.424 116.131 115.700 0.013 0.000 2.576 164 S HA 0.475 4.977 4.470 0.054 0.000 0.272 164 S C 1.265 175.880 174.600 0.025 0.000 1.352 164 S CA 0.705 58.914 58.200 0.014 0.000 1.021 164 S CB 1.731 64.934 63.200 0.005 0.000 0.887 164 S HN 0.581 nan 8.310 nan 0.000 0.542 165 R N 0.784 121.301 120.500 0.029 0.000 2.127 165 R HA -0.031 4.341 4.340 0.054 0.000 0.217 165 R C 1.594 177.923 176.300 0.048 0.000 1.074 165 R CA 1.242 57.364 56.100 0.037 0.000 0.991 165 R CB -0.137 30.184 30.300 0.034 0.000 0.895 165 R HN 0.922 nan 8.270 nan 0.000 0.450 166 E N -0.655 119.575 120.200 0.049 0.000 2.474 166 E HA 0.048 4.430 4.350 0.054 0.000 0.194 166 E C -0.257 176.407 176.600 0.106 0.000 1.041 166 E CA 0.342 56.787 56.400 0.076 0.000 0.874 166 E CB 0.896 30.641 29.700 0.075 0.000 0.914 166 E HN 0.211 nan 8.360 nan 0.000 0.498 167 A N 1.887 124.743 122.820 0.061 0.000 3.422 167 A HA 0.422 4.774 4.320 0.054 0.000 0.271 167 A C -2.398 175.202 177.584 0.026 0.000 1.104 167 A CA -0.914 51.149 52.037 0.044 0.000 0.899 167 A CB 0.881 19.820 19.000 -0.102 0.000 1.309 167 A HN -0.105 nan 8.150 nan 0.000 0.580 168 P HA 0.151 nan 4.420 nan 0.000 0.230 168 P C 1.008 178.337 177.300 0.047 0.000 1.158 168 P CA 1.857 64.985 63.100 0.048 0.000 0.769 168 P CB 0.193 31.930 31.700 0.062 0.000 0.807 169 G N 0.297 109.125 108.800 0.047 0.000 2.814 169 G HA2 -0.212 3.780 3.960 0.054 0.000 0.677 169 G HA3 -0.212 3.780 3.960 0.054 0.000 0.677 169 G C -0.026 174.893 174.900 0.031 0.000 1.429 169 G CA -0.279 44.856 45.100 0.058 0.000 0.868 169 G HN 0.155 nan 8.290 nan 0.000 0.553 170 N N -2.600 116.125 118.700 0.043 0.000 2.828 170 N HA -0.288 4.485 4.740 0.054 0.000 0.248 170 N C 1.819 177.199 175.510 -0.217 0.000 1.044 170 N CA 2.445 55.449 53.050 -0.076 0.000 0.851 170 N CB -1.767 36.595 38.487 -0.207 0.000 1.136 170 N HN 1.918 nan 8.380 nan 0.000 0.572 171 V N -2.504 117.287 119.914 -0.205 0.000 2.515 171 V HA 0.009 4.162 4.120 0.054 0.000 0.250 171 V C 2.349 178.316 176.094 -0.211 0.000 1.058 171 V CA 2.296 64.511 62.300 -0.141 0.000 1.064 171 V CB -0.973 30.820 31.823 -0.051 0.000 0.675 171 V HN 0.271 nan 8.190 nan 0.000 0.461 172 G N 0.544 109.006 108.800 -0.563 0.000 2.442 172 G HA2 -0.170 3.823 3.960 0.054 0.000 0.219 172 G HA3 -0.170 3.823 3.960 0.054 0.000 0.219 172 G C 1.559 176.411 174.900 -0.080 0.000 1.141 172 G CA 1.283 46.161 45.100 -0.370 0.000 0.763 172 G HN 0.550 nan 8.290 nan 0.000 0.554 173 L N -0.286 120.839 121.223 -0.162 0.000 2.156 173 L HA 0.134 4.506 4.340 0.054 0.000 0.208 173 L C 2.788 179.630 176.870 -0.047 0.000 1.095 173 L CA 0.222 54.900 54.840 -0.271 0.000 0.770 173 L CB -0.258 41.235 42.059 -0.944 0.000 0.914 173 L HN 0.170 nan 8.230 nan 0.000 0.439 174 L N -0.528 120.683 121.223 -0.019 0.000 2.141 174 L HA -0.189 4.183 4.340 0.054 0.000 0.209 174 L C 2.147 179.140 176.870 0.205 0.000 1.094 174 L CA 0.799 55.753 54.840 0.189 0.000 0.763 174 L CB -0.523 41.629 42.059 0.156 0.000 0.908 174 L HN 0.263 nan 8.230 nan 0.000 0.437 175 D N 0.036 120.544 120.400 0.179 0.000 2.092 175 D HA -0.219 4.454 4.640 0.054 0.000 0.193 175 D C 2.275 178.712 176.300 0.228 0.000 0.994 175 D CA 1.303 55.495 54.000 0.320 0.000 0.828 175 D CB -0.157 40.848 40.800 0.343 0.000 0.963 175 D HN 0.368 nan 8.370 nan 0.000 0.450 176 Q N 0.036 119.903 119.800 0.112 0.000 2.050 176 Q HA -0.140 4.232 4.340 0.054 0.000 0.202 176 Q C 2.290 178.255 176.000 -0.059 0.000 0.980 176 Q CA 1.123 56.905 55.803 -0.035 0.000 0.840 176 Q CB -0.093 28.654 28.738 0.014 0.000 0.898 176 Q HN 0.187 nan 8.270 nan 0.000 0.424 177 R N 0.491 121.093 120.500 0.170 0.000 2.103 177 R HA -0.209 4.163 4.340 0.054 0.000 0.242 177 R C 2.152 178.503 176.300 0.085 0.000 1.142 177 R CA 1.241 57.435 56.100 0.157 0.000 0.960 177 R CB -0.253 30.263 30.300 0.360 0.000 0.858 177 R HN 0.217 nan 8.270 nan 0.000 0.439 178 L N 0.567 121.866 121.223 0.126 0.000 2.056 178 L HA -0.016 4.357 4.340 0.054 0.000 0.207 178 L C 2.297 179.187 176.870 0.033 0.000 1.078 178 L CA 2.098 57.045 54.840 0.177 0.000 0.749 178 L CB -0.788 41.490 42.059 0.365 0.000 0.901 178 L HN 0.273 nan 8.230 nan 0.000 0.433 179 A N -0.871 121.704 122.820 -0.409 0.000 1.908 179 A HA -0.183 4.169 4.320 0.054 0.000 0.218 179 A C 2.123 179.639 177.584 -0.113 0.000 1.181 179 A CA 1.867 53.524 52.037 -0.634 0.000 0.627 179 A CB -0.796 17.600 19.000 -1.007 0.000 0.818 179 A HN 0.409 nan 8.150 nan 0.000 0.445 180 L N -0.615 120.544 121.223 -0.106 0.000 2.046 180 L HA -0.189 4.184 4.340 0.054 0.000 0.208 180 L C 2.636 179.544 176.870 0.063 0.000 1.077 180 L CA 2.117 56.939 54.840 -0.030 0.000 0.747 180 L CB -1.109 40.883 42.059 -0.112 0.000 0.896 180 L HN 0.459 nan 8.230 nan 0.000 0.432 181 Q N -2.099 117.754 119.800 0.088 0.000 2.061 181 Q HA -0.273 4.099 4.340 0.054 0.000 0.204 181 Q C 2.124 178.208 176.000 0.139 0.000 0.984 181 Q CA 2.178 58.047 55.803 0.109 0.000 0.846 181 Q CB -0.415 28.401 28.738 0.131 0.000 0.902 181 Q HN 0.558 nan 8.270 nan 0.000 0.421 182 W N -0.272 121.043 121.300 0.026 0.000 2.338 182 W HA -0.245 4.447 4.660 0.054 0.000 0.304 182 W C 1.801 178.353 176.519 0.055 0.000 1.212 182 W CA 1.470 58.854 57.345 0.065 0.000 1.264 182 W CB -0.240 29.265 29.460 0.074 0.000 1.142 182 W HN -0.082 nan 8.180 nan 0.000 0.512 183 V N 0.725 120.826 119.914 0.312 0.000 2.343 183 V HA -0.347 3.806 4.120 0.054 0.000 0.247 183 V C 2.558 178.653 176.094 0.002 0.000 1.051 183 V CA 2.071 64.470 62.300 0.165 0.000 1.036 183 V CB -0.989 30.952 31.823 0.196 0.000 0.654 183 V HN 0.194 nan 8.190 nan 0.000 0.451 184 Q N 0.042 119.855 119.800 0.021 0.000 2.061 184 Q HA -0.225 4.147 4.340 0.054 0.000 0.204 184 Q C 2.216 178.182 176.000 -0.056 0.000 0.984 184 Q CA 1.870 57.676 55.803 0.006 0.000 0.846 184 Q CB -0.364 28.388 28.738 0.023 0.000 0.902 184 Q HN 0.728 nan 8.270 nan 0.000 0.421 185 E N -0.329 119.801 120.200 -0.117 0.000 2.285 185 E HA -0.044 4.338 4.350 0.054 0.000 0.194 185 E C 1.237 177.682 176.600 -0.259 0.000 0.997 185 E CA 0.478 56.779 56.400 -0.164 0.000 0.845 185 E CB 0.210 29.808 29.700 -0.170 0.000 0.782 185 E HN 0.318 nan 8.360 nan 0.000 0.491 186 N N -0.205 118.252 118.700 -0.406 0.000 2.360 186 N HA 0.019 4.791 4.740 0.054 0.000 0.211 186 N C 1.474 176.871 175.510 -0.188 0.000 1.147 186 N CA 0.013 52.762 53.050 -0.500 0.000 0.866 186 N CB 0.387 38.093 38.487 -1.302 0.000 1.206 186 N HN 0.024 nan 8.380 nan 0.000 0.478 187 I N 2.629 123.133 120.570 -0.109 0.000 2.454 187 I HA -0.115 4.087 4.170 0.054 0.000 0.254 187 I C 2.187 178.417 176.117 0.188 0.000 1.156 187 I CA 0.546 61.912 61.300 0.109 0.000 1.433 187 I CB -0.473 37.576 38.000 0.081 0.000 1.082 187 I HN 0.066 nan 8.210 nan 0.000 0.432 188 A N 0.393 123.250 122.820 0.063 0.000 1.917 188 A HA -0.233 4.120 4.320 0.054 0.000 0.219 188 A C 2.521 180.113 177.584 0.014 0.000 1.182 188 A CA 1.967 54.025 52.037 0.035 0.000 0.633 188 A CB -1.254 17.739 19.000 -0.011 0.000 0.819 188 A HN 0.481 nan 8.150 nan 0.000 0.448 189 A N -1.559 121.235 122.820 -0.043 0.000 2.084 189 A HA -0.037 4.315 4.320 0.054 0.000 0.221 189 A C 1.576 178.942 177.584 -0.363 0.000 1.161 189 A CA 1.583 53.480 52.037 -0.233 0.000 0.653 189 A CB -0.695 18.077 19.000 -0.380 0.000 0.802 189 A HN 0.544 nan 8.150 nan 0.000 0.457 190 F N -1.497 118.389 119.950 -0.106 0.000 2.695 190 F HA 0.399 4.958 4.527 0.054 0.000 0.303 190 F C 1.758 177.552 175.800 -0.010 0.000 1.091 190 F CA 0.237 58.183 58.000 -0.090 0.000 1.300 190 F CB 0.017 38.965 39.000 -0.087 0.000 1.071 190 F HN 0.307 nan 8.300 nan 0.000 0.578 191 G N 0.507 109.390 108.800 0.139 0.000 2.148 191 G HA2 -0.204 3.788 3.960 0.054 0.000 0.254 191 G HA3 -0.204 3.788 3.960 0.054 0.000 0.254 191 G C 0.713 175.685 174.900 0.119 0.000 0.981 191 G CA -0.185 44.974 45.100 0.098 0.000 0.670 191 G HN 0.740 nan 8.290 nan 0.000 0.528 192 G N -0.412 108.483 108.800 0.157 0.000 2.483 192 G HA2 0.424 4.417 3.960 0.054 0.000 0.248 192 G HA3 0.424 4.417 3.960 0.054 0.000 0.248 192 G C -0.337 174.617 174.900 0.088 0.000 1.248 192 G CA 0.346 45.523 45.100 0.129 0.000 0.838 192 G HN 0.255 nan 8.290 nan 0.000 0.566 193 D N 2.145 122.589 120.400 0.073 0.000 2.411 193 D HA 0.258 4.930 4.640 0.054 0.000 0.225 193 D C -1.228 175.115 176.300 0.072 0.000 1.156 193 D CA -2.380 51.648 54.000 0.046 0.000 0.874 193 D CB 1.720 42.528 40.800 0.014 0.000 1.034 193 D HN 0.038 nan 8.370 nan 0.000 0.502 194 P HA -0.051 nan 4.420 nan 0.000 0.234 194 P C 1.139 178.560 177.300 0.203 0.000 1.167 194 P CA 0.728 63.898 63.100 0.117 0.000 0.763 194 P CB 0.119 31.859 31.700 0.066 0.000 0.835 195 M N -1.717 117.926 119.600 0.073 0.000 2.428 195 M HA 0.097 4.609 4.480 0.054 0.000 0.239 195 M C 0.663 176.613 176.300 -0.584 0.000 1.121 195 M CA 0.469 55.697 55.300 -0.119 0.000 1.019 195 M CB 0.285 32.807 32.600 -0.130 0.000 1.485 195 M HN -0.168 nan 8.290 nan 0.000 0.484 196 S N 1.246 116.838 115.700 -0.179 0.000 2.259 196 S HA 0.440 4.942 4.470 0.054 0.000 0.181 196 S C -0.991 173.727 174.600 0.198 0.000 1.589 196 S CA -0.493 57.639 58.200 -0.113 0.000 1.234 196 S CB 0.448 63.586 63.200 -0.103 0.000 1.119 196 S HN 0.009 nan 8.310 nan 0.000 0.458 197 V N 4.205 124.455 119.914 0.560 0.000 2.409 197 V HA 0.535 4.687 4.120 0.054 0.000 0.291 197 V C -0.061 176.226 176.094 0.321 0.000 1.020 197 V CA -0.424 62.081 62.300 0.341 0.000 0.848 197 V CB 1.875 33.848 31.823 0.251 0.000 0.990 197 V HN 0.756 nan 8.190 nan 0.000 0.430 198 T N 6.565 121.261 114.554 0.236 0.000 2.770 198 T HA 0.563 4.945 4.350 0.054 0.000 0.283 198 T C -0.179 174.684 174.700 0.271 0.000 0.988 198 T CA -0.371 61.873 62.100 0.241 0.000 0.957 198 T CB 0.855 69.813 68.868 0.150 0.000 0.930 198 T HN 0.329 nan 8.240 nan 0.000 0.443 199 L N 4.724 126.079 121.223 0.220 0.000 2.397 199 L HA 0.612 4.984 4.340 0.054 0.000 0.271 199 L C -0.297 176.804 176.870 0.386 0.000 1.148 199 L CA -0.607 54.320 54.840 0.145 0.000 0.825 199 L CB 0.203 42.115 42.059 -0.245 0.000 1.117 199 L HN 0.628 nan 8.230 nan 0.000 0.456 200 F N 0.203 120.217 119.950 0.108 0.000 2.613 200 F HA 0.956 5.515 4.527 0.053 0.000 0.310 200 F C -0.281 175.458 175.800 -0.101 0.000 1.085 200 F CA -1.575 56.527 58.000 0.171 0.000 0.945 200 F CB 1.547 40.819 39.000 0.454 0.000 1.298 200 F HN 0.477 nan 8.300 nan 0.000 0.455 201 G N 0.735 109.332 108.800 -0.340 0.000 2.601 201 G HA2 0.504 4.496 3.960 0.054 0.000 0.291 201 G HA3 0.504 4.496 3.960 0.054 0.000 0.291 201 G C -2.460 172.161 174.900 -0.465 0.000 1.456 201 G CA -0.705 43.750 45.100 -1.075 0.000 0.804 201 G HN 0.910 nan 8.290 nan 0.000 0.499 205 G N 0.575 109.110 108.800 -0.441 0.000 2.402 205 G HA2 0.138 4.131 3.960 0.054 0.000 0.216 205 G HA3 0.138 4.131 3.960 0.054 0.000 0.216 205 G C 1.656 176.346 174.900 -0.350 0.000 1.162 205 G CA 1.738 46.541 45.100 -0.494 0.000 0.777 205 G HN 1.207 nan 8.290 nan 0.000 0.539 206 A N 1.316 124.012 122.820 -0.207 0.000 1.877 206 A HA 0.244 4.596 4.320 0.054 0.000 0.216 206 A C 2.837 180.398 177.584 -0.038 0.000 1.186 206 A CA 2.319 54.312 52.037 -0.072 0.000 0.620 206 A CB -0.893 18.133 19.000 0.043 0.000 0.822 206 A HN 0.810 nan 8.150 nan 0.000 0.443 207 A N -0.445 122.385 122.820 0.017 0.000 1.940 207 A HA -0.096 4.256 4.320 0.054 0.000 0.219 207 A C 2.440 180.039 177.584 0.024 0.000 1.176 207 A CA 2.185 54.231 52.037 0.015 0.000 0.631 207 A CB -0.862 18.186 19.000 0.081 0.000 0.814 207 A HN 0.475 nan 8.150 nan 0.000 0.446 208 S N -0.393 115.308 115.700 0.001 0.000 2.356 208 S HA -0.136 4.366 4.470 0.054 0.000 0.223 208 S C 1.913 176.472 174.600 -0.068 0.000 1.032 208 S CA 1.394 59.553 58.200 -0.070 0.000 1.005 208 S CB -0.627 62.458 63.200 -0.191 0.000 0.867 208 S HN 0.352 nan 8.310 nan 0.000 0.449 209 V N 1.913 121.792 119.914 -0.058 0.000 2.282 209 V HA -0.224 3.928 4.120 0.054 0.000 0.249 209 V C 2.654 178.740 176.094 -0.013 0.000 1.057 209 V CA 2.115 64.386 62.300 -0.047 0.000 1.032 209 V CB -1.585 30.184 31.823 -0.091 0.000 0.645 209 V HN 0.609 nan 8.190 nan 0.000 0.447 210 G N -1.209 107.577 108.800 -0.024 0.000 2.422 210 G HA2 -0.283 3.709 3.960 0.054 0.000 0.218 210 G HA3 -0.283 3.709 3.960 0.054 0.000 0.218 210 G C 1.630 176.539 174.900 0.015 0.000 1.146 210 G CA 1.118 46.207 45.100 -0.018 0.000 0.769 210 G HN 0.444 nan 8.290 nan 0.000 0.547 211 M N -0.177 119.416 119.600 -0.011 0.000 2.175 211 M HA 0.000 4.512 4.480 0.054 0.000 0.264 211 M C 2.344 178.705 176.300 0.103 0.000 1.063 211 M CA 0.947 56.272 55.300 0.041 0.000 1.119 211 M CB -0.217 32.381 32.600 -0.003 0.000 1.377 211 M HN 0.222 nan 8.290 nan 0.000 0.415 212 H N -0.257 118.914 119.070 0.168 0.000 2.389 212 H HA -0.053 4.535 4.556 0.053 0.000 0.299 212 H C 2.154 177.665 175.328 0.305 0.000 1.081 212 H CA 1.585 57.726 56.048 0.156 0.000 1.345 212 H CB -0.412 29.271 29.762 -0.131 0.000 1.393 212 H HN 0.403 nan 8.280 nan 0.000 0.520 213 I N 0.749 121.565 120.570 0.411 0.000 2.264 213 I HA -0.253 3.949 4.170 0.054 0.000 0.248 213 I C 1.881 178.186 176.117 0.313 0.000 1.111 213 I CA 1.133 62.702 61.300 0.448 0.000 1.382 213 I CB -0.097 38.048 38.000 0.241 0.000 1.060 213 I HN 0.109 nan 8.210 nan 0.000 0.418 214 L N -0.846 120.503 121.223 0.210 0.000 2.592 214 L HA 0.118 4.490 4.340 0.054 0.000 0.227 214 L C 0.762 177.669 176.870 0.063 0.000 1.127 214 L CA -0.007 54.937 54.840 0.174 0.000 0.884 214 L CB -0.012 42.124 42.059 0.127 0.000 1.065 214 L HN 0.029 nan 8.230 nan 0.000 0.457 215 S N -0.559 115.140 115.700 -0.002 0.000 2.552 215 S HA 0.338 4.840 4.470 0.054 0.000 0.314 215 S C 0.641 175.155 174.600 -0.144 0.000 1.099 215 S CA -0.619 57.447 58.200 -0.224 0.000 1.070 215 S CB 1.707 64.439 63.200 -0.781 0.000 0.998 215 S HN 0.135 nan 8.310 nan 0.000 0.474 216 L N 6.321 127.466 121.223 -0.131 0.000 1.989 216 L HA 0.066 4.438 4.340 0.054 0.000 0.211 216 L C -0.938 175.889 176.870 -0.072 0.000 1.071 216 L CA 1.820 56.612 54.840 -0.079 0.000 0.749 216 L CB -0.745 41.271 42.059 -0.072 0.000 0.890 216 L HN 0.524 nan 8.230 nan 0.000 0.431 217 P HA -0.115 nan 4.420 nan 0.000 0.221 217 P C 1.521 178.823 177.300 0.003 0.000 1.145 217 P CA 1.239 64.308 63.100 -0.052 0.000 0.795 217 P CB 0.064 31.726 31.700 -0.063 0.000 0.775 218 S N -1.070 114.646 115.700 0.026 0.000 2.414 218 S HA -0.012 4.490 4.470 0.054 0.000 0.227 218 S C 1.868 176.633 174.600 0.275 0.000 1.022 218 S CA 0.533 58.867 58.200 0.223 0.000 0.958 218 S CB -0.376 63.081 63.200 0.427 0.000 0.797 218 S HN 0.083 nan 8.310 nan 0.000 0.493 219 R N 1.913 122.466 120.500 0.088 0.000 2.159 219 R HA -0.028 4.344 4.340 0.054 0.000 0.237 219 R C 2.218 178.326 176.300 -0.319 0.000 1.131 219 R CA 1.399 57.383 56.100 -0.193 0.000 0.982 219 R CB -1.043 29.175 30.300 -0.136 0.000 0.868 219 R HN 0.559 nan 8.270 nan 0.000 0.453 220 S N -0.107 115.509 115.700 -0.140 0.000 2.607 220 S HA 0.080 4.582 4.470 0.054 0.000 0.224 220 S C 1.705 176.231 174.600 -0.123 0.000 0.969 220 S CA 0.246 58.369 58.200 -0.129 0.000 0.927 220 S CB -0.095 63.073 63.200 -0.054 0.000 0.772 220 S HN 0.217 nan 8.310 nan 0.000 0.533 221 L N 0.448 121.637 121.223 -0.056 0.000 2.640 221 L HA 0.479 4.851 4.340 0.054 0.000 0.230 221 L C -0.053 176.863 176.870 0.077 0.000 1.123 221 L CA -0.307 54.558 54.840 0.042 0.000 0.900 221 L CB -0.074 42.055 42.059 0.117 0.000 1.146 221 L HN 0.487 nan 8.230 nan 0.000 0.484 222 F N -4.034 115.693 119.950 -0.371 0.000 2.773 222 F HA 0.440 4.999 4.527 0.054 0.000 0.314 222 F C 0.258 175.661 175.800 -0.663 0.000 1.160 222 F CA -1.073 56.640 58.000 -0.478 0.000 0.920 222 F CB 0.741 39.643 39.000 -0.164 0.000 1.323 222 F HN -0.132 nan 8.300 nan 0.000 0.457 223 H N -0.631 118.438 119.070 -0.002 0.000 3.205 223 H HA 0.460 5.048 4.556 0.053 0.000 0.252 223 H C -0.170 175.145 175.328 -0.021 0.000 1.015 223 H CA -0.066 55.915 56.048 -0.112 0.000 1.192 223 H CB 1.038 30.760 29.762 -0.067 0.000 1.474 223 H HN 0.445 nan 8.280 nan 0.000 0.484 224 R N 0.283 120.940 120.500 0.262 0.000 2.774 224 R HA 0.722 5.094 4.340 0.054 0.000 0.272 224 R C -1.380 175.208 176.300 0.479 0.000 1.000 224 R CA -0.670 55.586 56.100 0.260 0.000 0.906 224 R CB 2.905 33.151 30.300 -0.090 0.000 1.227 224 R HN 0.139 nan 8.270 nan 0.000 0.468 225 A N 1.200 124.322 122.820 0.504 0.000 2.515 225 A HA 0.728 5.080 4.320 0.054 0.000 0.298 225 A C -1.378 176.383 177.584 0.295 0.000 1.059 225 A CA -0.629 51.630 52.037 0.371 0.000 0.698 225 A CB 1.898 21.062 19.000 0.272 0.000 1.289 225 A HN 0.307 nan 8.150 nan 0.000 0.404 226 V N 1.653 121.691 119.914 0.205 0.000 2.540 226 V HA 0.539 4.691 4.120 0.054 0.000 0.302 226 V C -1.157 175.028 176.094 0.152 0.000 1.035 226 V CA -0.355 61.985 62.300 0.068 0.000 0.873 226 V CB 1.342 33.220 31.823 0.091 0.000 0.992 226 V HN 0.678 nan 8.190 nan 0.000 0.428 227 L N 4.893 126.180 121.223 0.106 0.000 2.353 227 L HA 0.503 4.875 4.340 0.054 0.000 0.270 227 L C -0.028 176.956 176.870 0.190 0.000 1.003 227 L CA 0.018 54.919 54.840 0.102 0.000 0.862 227 L CB 1.531 43.602 42.059 0.020 0.000 1.221 227 L HN 0.632 nan 8.230 nan 0.000 0.430 228 Q N 1.908 121.883 119.800 0.293 0.000 2.331 228 Q HA 0.428 4.800 4.340 0.054 0.000 0.257 228 Q C 0.276 176.427 176.000 0.251 0.000 0.957 228 Q CA -0.467 55.586 55.803 0.415 0.000 0.923 228 Q CB 1.136 30.213 28.738 0.564 0.000 1.212 228 Q HN 0.619 nan 8.270 nan 0.000 0.443 229 S N 0.997 116.831 115.700 0.224 0.000 3.614 229 S HA -0.167 4.335 4.470 0.054 0.000 0.360 229 S C 0.037 174.851 174.600 0.358 0.000 1.023 229 S CA 0.547 58.913 58.200 0.277 0.000 1.114 229 S CB -1.203 62.196 63.200 0.331 0.000 0.907 229 S HN 0.990 nan 8.310 nan 0.000 0.470 230 G N -0.393 108.569 108.800 0.269 0.000 2.616 230 G HA2 0.639 4.631 3.960 0.054 0.000 0.294 230 G HA3 0.639 4.631 3.960 0.054 0.000 0.294 230 G C -0.921 174.071 174.900 0.153 0.000 1.489 230 G CA 0.189 45.525 45.100 0.392 0.000 0.836 230 G HN 0.932 nan 8.290 nan 0.000 0.527 231 T N -1.087 113.488 114.554 0.036 0.000 2.894 231 T HA 0.741 5.123 4.350 0.054 0.000 0.309 231 T C -2.306 172.231 174.700 -0.271 0.000 1.208 231 T CA -1.450 60.575 62.100 -0.126 0.000 1.016 231 T CB 3.116 71.891 68.868 -0.155 0.000 1.192 231 T HN 0.250 nan 8.240 nan 0.000 0.491 232 P HA -0.043 nan 4.420 nan 0.000 0.217 232 P C 0.409 177.536 177.300 -0.288 0.000 1.151 232 P CA 0.763 63.733 63.100 -0.218 0.000 0.828 232 P CB -0.169 31.460 31.700 -0.117 0.000 0.788 233 N N 0.790 119.341 118.700 -0.248 0.000 2.288 233 N HA 0.229 5.001 4.740 0.054 0.000 0.237 233 N C 0.902 176.185 175.510 -0.380 0.000 1.311 233 N CA 0.878 53.779 53.050 -0.249 0.000 0.909 233 N CB -0.281 38.103 38.487 -0.172 0.000 1.167 233 N HN 0.257 nan 8.380 nan 0.000 0.476 234 G N -1.132 107.467 108.800 -0.335 0.000 2.592 234 G HA2 -0.127 3.865 3.960 0.054 0.000 0.684 234 G HA3 -0.127 3.865 3.960 0.054 0.000 0.684 234 G C -2.113 172.521 174.900 -0.443 0.000 1.291 234 G CA -0.213 44.638 45.100 -0.416 0.000 0.891 234 G HN 0.509 nan 8.290 nan 0.000 0.544 235 P HA 0.034 nan 4.420 nan 0.000 0.221 235 P C 1.552 178.751 177.300 -0.168 0.000 1.150 235 P CA 2.411 65.339 63.100 -0.287 0.000 0.800 235 P CB -0.067 31.367 31.700 -0.442 0.000 0.787 236 W N -1.453 119.749 121.300 -0.164 0.000 2.901 236 W HA 0.569 5.261 4.660 0.053 0.000 0.281 236 W C 1.291 177.899 176.519 0.149 0.000 1.167 236 W CA 0.448 57.791 57.345 -0.002 0.000 1.506 236 W CB -0.855 28.673 29.460 0.114 0.000 0.985 236 W HN -0.164 nan 8.180 nan 0.000 0.590 237 A N 1.858 124.355 122.820 -0.538 0.000 2.072 237 A HA 0.123 4.475 4.320 0.054 0.000 0.216 237 A C 1.147 178.569 177.584 -0.270 0.000 1.156 237 A CA 1.764 53.560 52.037 -0.401 0.000 0.701 237 A CB -0.796 17.675 19.000 -0.882 0.000 0.816 237 A HN 0.230 nan 8.150 nan 0.000 0.458 238 T N -2.973 111.431 114.554 -0.249 0.000 2.883 238 T HA 0.627 5.009 4.350 0.054 0.000 0.296 238 T C -0.628 173.981 174.700 -0.152 0.000 1.117 238 T CA -0.128 61.838 62.100 -0.223 0.000 1.006 238 T CB 1.501 70.250 68.868 -0.199 0.000 1.191 238 T HN 0.820 nan 8.240 nan 0.000 0.508 239 V N -1.081 118.753 119.914 -0.133 0.000 3.040 239 V HA 0.890 5.042 4.120 0.054 0.000 0.312 239 V C 0.317 176.362 176.094 -0.081 0.000 1.115 239 V CA -1.011 61.228 62.300 -0.102 0.000 0.998 239 V CB 1.346 33.107 31.823 -0.103 0.000 1.042 239 V HN 1.330 nan 8.190 nan 0.000 0.433 240 S N 1.555 117.214 115.700 -0.069 0.000 2.584 240 S HA 0.535 5.037 4.470 0.054 0.000 0.270 240 S C 1.476 176.052 174.600 -0.040 0.000 1.346 240 S CA 0.090 58.260 58.200 -0.051 0.000 1.018 240 S CB 1.094 64.265 63.200 -0.048 0.000 0.899 240 S HN 1.935 nan 8.310 nan 0.000 0.542 241 A N 2.453 125.257 122.820 -0.026 0.000 1.884 241 A HA -0.019 4.334 4.320 0.054 0.000 0.219 241 A C 2.274 179.847 177.584 -0.019 0.000 1.197 241 A CA 2.166 54.194 52.037 -0.015 0.000 0.637 241 A CB -1.969 17.026 19.000 -0.008 0.000 0.827 241 A HN 1.211 nan 8.150 nan 0.000 0.450 242 G N -0.797 107.989 108.800 -0.025 0.000 2.440 242 G HA2 -0.260 3.732 3.960 0.054 0.000 0.218 242 G HA3 -0.260 3.732 3.960 0.054 0.000 0.218 242 G C 1.469 176.348 174.900 -0.035 0.000 1.154 242 G CA 1.443 46.527 45.100 -0.027 0.000 0.767 242 G HN 0.582 nan 8.290 nan 0.000 0.552 243 E N 0.924 121.096 120.200 -0.047 0.000 2.150 243 E HA 0.096 4.478 4.350 0.054 0.000 0.193 243 E C 2.618 179.175 176.600 -0.071 0.000 0.985 243 E CA 1.306 57.666 56.400 -0.067 0.000 0.814 243 E CB -0.487 29.164 29.700 -0.082 0.000 0.752 243 E HN 0.293 nan 8.360 nan 0.000 0.466 244 A N 0.782 123.575 122.820 -0.046 0.000 1.873 244 A HA -0.144 4.209 4.320 0.054 0.000 0.215 244 A C 2.292 179.886 177.584 0.015 0.000 1.186 244 A CA 1.665 53.695 52.037 -0.012 0.000 0.616 244 A CB -0.615 18.396 19.000 0.018 0.000 0.823 244 A HN 0.267 nan 8.150 nan 0.000 0.442 245 R N -0.451 120.050 120.500 0.000 0.000 2.091 245 R HA -0.175 4.197 4.340 0.054 0.000 0.238 245 R C 2.459 178.758 176.300 -0.002 0.000 1.136 245 R CA 1.803 57.902 56.100 -0.001 0.000 0.959 245 R CB -0.324 29.970 30.300 -0.010 0.000 0.856 245 R HN 0.522 nan 8.270 nan 0.000 0.437 246 R N 0.421 120.910 120.500 -0.018 0.000 2.073 246 R HA -0.140 4.232 4.340 0.054 0.000 0.234 246 R C 2.168 178.458 176.300 -0.016 0.000 1.134 246 R CA 1.887 57.972 56.100 -0.024 0.000 0.952 246 R CB -0.094 30.181 30.300 -0.042 0.000 0.850 246 R HN 0.272 nan 8.270 nan 0.000 0.433 247 R N -0.238 120.242 120.500 -0.034 0.000 2.090 247 R HA 0.011 4.383 4.340 0.054 0.000 0.228 247 R C 2.380 178.783 176.300 0.171 0.000 1.110 247 R CA 1.132 57.209 56.100 -0.039 0.000 0.973 247 R CB -0.297 29.819 30.300 -0.306 0.000 0.869 247 R HN 0.238 nan 8.270 nan 0.000 0.440 248 A N 0.723 123.673 122.820 0.217 0.000 1.865 248 A HA -0.182 4.170 4.320 0.054 0.000 0.217 248 A C 2.166 179.783 177.584 0.054 0.000 1.191 248 A CA 2.125 54.267 52.037 0.174 0.000 0.623 248 A CB -1.087 17.939 19.000 0.043 0.000 0.826 248 A HN 0.290 nan 8.150 nan 0.000 0.444 249 T N 0.128 114.697 114.554 0.025 0.000 2.699 249 T HA -0.183 4.199 4.350 0.054 0.000 0.268 249 T C 1.806 176.515 174.700 0.015 0.000 1.036 249 T CA 1.641 63.743 62.100 0.004 0.000 1.147 249 T CB -0.407 68.460 68.868 -0.003 0.000 0.862 249 T HN 0.288 nan 8.240 nan 0.000 0.446 250 L N 0.689 121.932 121.223 0.034 0.000 2.093 250 L HA 0.145 4.517 4.340 0.054 0.000 0.208 250 L C 2.127 179.031 176.870 0.057 0.000 1.085 250 L CA 1.320 56.182 54.840 0.036 0.000 0.755 250 L CB -0.844 41.234 42.059 0.031 0.000 0.904 250 L HN 0.202 nan 8.230 nan 0.000 0.435 251 L N -0.462 120.825 121.223 0.107 0.000 2.027 251 L HA -0.037 4.335 4.340 0.054 0.000 0.206 251 L C 2.533 179.415 176.870 0.020 0.000 1.074 251 L CA 1.849 56.757 54.840 0.113 0.000 0.745 251 L CB -0.834 41.334 42.059 0.182 0.000 0.898 251 L HN 0.247 nan 8.230 nan 0.000 0.433 252 A N -0.185 122.634 122.820 -0.003 0.000 1.869 252 A HA -0.312 4.040 4.320 0.054 0.000 0.218 252 A C 2.457 180.026 177.584 -0.026 0.000 1.203 252 A CA 2.269 54.293 52.037 -0.022 0.000 0.638 252 A CB -0.796 18.186 19.000 -0.030 0.000 0.831 252 A HN 0.493 nan 8.150 nan 0.000 0.450 253 R N -0.850 119.637 120.500 -0.022 0.000 2.112 253 R HA -0.164 4.209 4.340 0.054 0.000 0.242 253 R C 2.108 178.367 176.300 -0.068 0.000 1.137 253 R CA 1.909 57.990 56.100 -0.031 0.000 0.944 253 R CB -0.625 29.664 30.300 -0.019 0.000 0.857 253 R HN 0.586 nan 8.270 nan 0.000 0.435 254 L N 0.564 121.726 121.223 -0.102 0.000 2.265 254 L HA -0.108 4.264 4.340 0.054 0.000 0.215 254 L C 1.931 178.552 176.870 -0.415 0.000 1.117 254 L CA 0.659 55.336 54.840 -0.272 0.000 0.782 254 L CB -0.136 41.757 42.059 -0.276 0.000 0.914 254 L HN 0.194 nan 8.230 nan 0.000 0.441 255 V N -4.147 115.655 119.914 -0.185 0.000 3.376 255 V HA 0.526 4.678 4.120 0.054 0.000 0.313 255 V C 1.104 177.185 176.094 -0.022 0.000 1.393 255 V CA 0.190 62.445 62.300 -0.074 0.000 1.125 255 V CB -0.163 31.678 31.823 0.030 0.000 1.037 255 V HN 0.389 nan 8.190 nan 0.000 0.440 256 G N -0.295 108.484 108.800 -0.036 0.000 2.149 256 G HA2 -0.217 3.775 3.960 0.054 0.000 0.235 256 G HA3 -0.217 3.775 3.960 0.054 0.000 0.235 256 G C 0.030 174.929 174.900 -0.001 0.000 1.018 256 G CA 0.066 45.160 45.100 -0.011 0.000 0.728 256 G HN 0.738 nan 8.290 nan 0.000 0.508 266 D N 0.177 120.575 120.400 -0.005 0.000 2.097 266 D HA -0.107 4.565 4.640 0.054 0.000 0.195 266 D C 1.091 177.389 176.300 -0.003 0.000 0.989 266 D CA 2.338 56.331 54.000 -0.011 0.000 0.827 266 D CB -0.528 40.266 40.800 -0.010 0.000 0.966 266 D HN 0.725 nan 8.370 nan 0.000 0.456 267 T N 1.410 115.969 114.554 0.007 0.000 2.624 267 T HA -0.191 4.191 4.350 0.054 0.000 0.268 267 T C 1.784 176.496 174.700 0.020 0.000 1.041 267 T CA 1.357 63.468 62.100 0.018 0.000 1.159 267 T CB -0.270 68.609 68.868 0.018 0.000 0.863 267 T HN 0.288 nan 8.240 nan 0.000 0.434 268 E N 0.307 120.515 120.200 0.014 0.000 2.150 268 E HA -0.018 4.365 4.350 0.054 0.000 0.193 268 E C 2.246 178.854 176.600 0.013 0.000 0.985 268 E CA 0.538 56.947 56.400 0.015 0.000 0.814 268 E CB -0.211 29.495 29.700 0.011 0.000 0.752 268 E HN 0.376 nan 8.360 nan 0.000 0.466 269 L N 0.692 121.916 121.223 0.002 0.000 2.027 269 L HA -0.152 4.220 4.340 0.054 0.000 0.206 269 L C 2.221 179.087 176.870 -0.007 0.000 1.074 269 L CA 1.118 55.953 54.840 -0.009 0.000 0.745 269 L CB -0.047 41.996 42.059 -0.026 0.000 0.898 269 L HN 0.049 nan 8.230 nan 0.000 0.433 270 I N -0.278 120.288 120.570 -0.006 0.000 2.252 270 I HA -0.254 3.948 4.170 0.054 0.000 0.245 270 I C 2.711 178.893 176.117 0.108 0.000 1.102 270 I CA 1.100 62.414 61.300 0.024 0.000 1.385 270 I CB -0.579 37.436 38.000 0.026 0.000 1.064 270 I HN 0.322 nan 8.210 nan 0.000 0.414 271 A N -0.204 122.661 122.820 0.075 0.000 1.892 271 A HA -0.350 4.003 4.320 0.054 0.000 0.218 271 A C 2.543 180.172 177.584 0.075 0.000 1.188 271 A CA 2.267 54.348 52.037 0.073 0.000 0.631 271 A CB -1.543 17.485 19.000 0.047 0.000 0.822 271 A HN 0.636 nan 8.150 nan 0.000 0.447 272 c N -0.666 117.969 118.600 0.058 0.000 2.429 272 c HA -0.016 4.586 4.570 0.054 0.000 0.277 272 c C 2.633 176.771 174.090 0.080 0.000 1.262 272 c CA 1.123 57.484 56.329 0.053 0.000 1.733 272 c CB -1.605 40.925 42.510 0.033 0.000 2.010 272 c HN 0.590 nan 8.230 nan 0.000 0.483 273 L N 0.240 121.528 121.223 0.109 0.000 2.046 273 L HA -0.127 4.245 4.340 0.054 0.000 0.208 273 L C 2.938 179.970 176.870 0.271 0.000 1.077 273 L CA 1.656 56.609 54.840 0.188 0.000 0.747 273 L CB -0.656 41.501 42.059 0.162 0.000 0.896 273 L HN 0.321 nan 8.230 nan 0.000 0.432 274 R N -0.392 120.263 120.500 0.259 0.000 2.170 274 R HA -0.166 4.206 4.340 0.054 0.000 0.242 274 R C 2.191 178.522 176.300 0.052 0.000 1.145 274 R CA 1.866 58.035 56.100 0.114 0.000 0.984 274 R CB -0.541 29.811 30.300 0.087 0.000 0.869 274 R HN 0.503 nan 8.270 nan 0.000 0.455 275 T N -1.568 113.024 114.554 0.064 0.000 3.113 275 T HA 0.090 4.472 4.350 0.054 0.000 0.256 275 T C 0.681 175.403 174.700 0.037 0.000 1.131 275 T CA 0.002 62.125 62.100 0.038 0.000 1.074 275 T CB 0.169 69.059 68.868 0.037 0.000 0.944 275 T HN -0.115 nan 8.240 nan 0.000 0.516 276 R N 2.542 123.076 120.500 0.057 0.000 2.254 276 R HA 0.386 4.759 4.340 0.054 0.000 0.318 276 R C -2.792 173.531 176.300 0.038 0.000 1.031 276 R CA -2.666 53.469 56.100 0.058 0.000 0.905 276 R CB 0.375 30.725 30.300 0.084 0.000 1.050 276 R HN 0.224 nan 8.270 nan 0.000 0.456 277 P HA -0.139 nan 4.420 nan 0.000 0.263 277 P C 0.510 177.785 177.300 -0.042 0.000 1.168 277 P CA 0.483 63.566 63.100 -0.028 0.000 0.759 277 P CB 0.521 32.217 31.700 -0.007 0.000 0.782 278 A N 3.719 126.417 122.820 -0.202 0.000 1.896 278 A HA -0.315 4.038 4.320 0.054 0.000 0.220 278 A C 2.141 179.665 177.584 -0.100 0.000 1.206 278 A CA 2.263 54.120 52.037 -0.300 0.000 0.647 278 A CB -1.377 16.793 19.000 -1.384 0.000 0.828 278 A HN 0.540 nan 8.150 nan 0.000 0.455 279 Q N -0.144 119.552 119.800 -0.174 0.000 2.291 279 Q HA -0.158 4.214 4.340 0.054 0.000 0.206 279 Q C 1.229 177.336 176.000 0.178 0.000 0.976 279 Q CA 1.943 57.865 55.803 0.197 0.000 0.875 279 Q CB -0.389 28.485 28.738 0.226 0.000 0.927 279 Q HN 0.688 nan 8.270 nan 0.000 0.450 280 D N -0.732 119.744 120.400 0.126 0.000 2.097 280 D HA -0.139 4.533 4.640 0.054 0.000 0.197 280 D C 1.601 178.014 176.300 0.190 0.000 0.984 280 D CA 0.776 54.871 54.000 0.158 0.000 0.826 280 D CB -0.178 40.710 40.800 0.147 0.000 0.973 280 D HN 0.206 nan 8.370 nan 0.000 0.460 281 L N 0.644 121.953 121.223 0.142 0.000 1.990 281 L HA -0.163 4.209 4.340 0.054 0.000 0.213 281 L C 2.585 179.514 176.870 0.100 0.000 1.072 281 L CA 1.091 55.965 54.840 0.057 0.000 0.755 281 L CB -1.103 40.863 42.059 -0.156 0.000 0.889 281 L HN -0.029 nan 8.230 nan 0.000 0.432 282 V N -0.469 119.571 119.914 0.211 0.000 2.343 282 V HA -0.292 3.860 4.120 0.054 0.000 0.247 282 V C 2.242 178.442 176.094 0.175 0.000 1.051 282 V CA 1.726 64.197 62.300 0.285 0.000 1.036 282 V CB -0.608 31.509 31.823 0.491 0.000 0.654 282 V HN 0.400 nan 8.190 nan 0.000 0.451 283 D N -0.873 119.592 120.400 0.108 0.000 2.158 283 D HA -0.166 4.506 4.640 0.054 0.000 0.197 283 D C 1.857 177.957 176.300 -0.333 0.000 0.995 283 D CA 1.419 55.371 54.000 -0.079 0.000 0.846 283 D CB -0.190 40.521 40.800 -0.149 0.000 0.941 283 D HN 0.524 nan 8.370 nan 0.000 0.456 284 H N -0.644 118.406 119.070 -0.034 0.000 2.594 284 H HA 0.178 4.766 4.556 0.054 0.000 0.279 284 H C 1.457 176.757 175.328 -0.046 0.000 1.042 284 H CA -0.066 55.900 56.048 -0.136 0.000 1.177 284 H CB 0.694 30.507 29.762 0.085 0.000 1.524 284 H HN 0.277 nan 8.280 nan 0.000 0.537 285 E N 0.549 120.843 120.200 0.156 0.000 2.051 285 E HA -0.175 4.207 4.350 0.054 0.000 0.192 285 E C 1.553 178.406 176.600 0.423 0.000 0.991 285 E CA 0.805 57.443 56.400 0.397 0.000 0.799 285 E CB 0.090 30.034 29.700 0.406 0.000 0.748 285 E HN 0.501 nan 8.360 nan 0.000 0.449 286 W N 0.152 121.363 121.300 -0.148 0.000 2.595 286 W HA -0.083 4.609 4.660 0.053 0.000 0.257 286 W C 1.249 177.785 176.519 0.028 0.000 1.267 286 W CA 0.613 57.883 57.345 -0.125 0.000 1.300 286 W CB 0.080 29.418 29.460 -0.203 0.000 1.120 286 W HN 0.356 nan 8.180 nan 0.000 0.618 287 H N -0.629 118.568 119.070 0.213 0.000 2.563 287 H HA -0.088 4.500 4.556 0.053 0.000 0.272 287 H C 1.976 177.325 175.328 0.036 0.000 1.005 287 H CA 0.756 56.880 56.048 0.127 0.000 1.171 287 H CB 0.097 29.983 29.762 0.206 0.000 1.351 287 H HN 0.052 nan 8.280 nan 0.000 0.602 288 V N -1.403 118.557 119.914 0.077 0.000 3.647 288 V HA 0.147 4.299 4.120 0.054 0.000 0.279 288 V C 0.556 176.546 176.094 -0.174 0.000 1.314 288 V CA -0.064 62.214 62.300 -0.036 0.000 1.125 288 V CB -0.512 31.284 31.823 -0.045 0.000 0.907 288 V HN 0.138 nan 8.190 nan 0.000 0.434 289 L N 2.544 123.619 121.223 -0.247 0.000 2.410 289 L HA 0.260 4.632 4.340 0.054 0.000 0.273 289 L C -0.402 176.357 176.870 -0.185 0.000 1.152 289 L CA -1.122 53.533 54.840 -0.309 0.000 0.855 289 L CB 0.897 42.674 42.059 -0.471 0.000 1.129 289 L HN 0.134 nan 8.230 nan 0.000 0.463 290 P HA -0.109 nan 4.420 nan 0.000 0.220 290 P C -0.124 177.122 177.300 -0.091 0.000 1.148 290 P CA 1.141 64.176 63.100 -0.109 0.000 0.803 290 P CB 0.423 32.062 31.700 -0.103 0.000 0.782 291 Q N -0.997 118.738 119.800 -0.109 0.000 2.451 291 Q HA 0.317 4.689 4.340 0.054 0.000 0.281 291 Q C -0.512 175.434 176.000 -0.091 0.000 1.099 291 Q CA -0.747 55.007 55.803 -0.081 0.000 0.806 291 Q CB 1.649 30.347 28.738 -0.067 0.000 1.419 291 Q HN -0.017 nan 8.270 nan 0.000 0.427 292 E N 0.791 120.962 120.200 -0.050 0.000 2.493 292 E HA 0.196 4.578 4.350 0.054 0.000 0.255 292 E C -0.922 175.656 176.600 -0.036 0.000 0.999 292 E CA 0.421 56.805 56.400 -0.026 0.000 0.934 292 E CB 0.370 30.074 29.700 0.008 0.000 0.940 292 E HN 0.486 nan 8.360 nan 0.000 0.473 293 S N 3.531 119.204 115.700 -0.045 0.000 2.595 293 S HA 0.580 5.082 4.470 0.054 0.000 0.281 293 S C -0.529 174.075 174.600 0.006 0.000 1.117 293 S CA -0.816 57.347 58.200 -0.062 0.000 0.873 293 S CB 1.103 64.198 63.200 -0.175 0.000 1.108 293 S HN 0.584 nan 8.310 nan 0.000 0.477 294 I N -1.687 118.895 120.570 0.020 0.000 2.957 294 I HA 0.712 4.914 4.170 0.054 0.000 0.310 294 I C -0.254 175.855 176.117 -0.014 0.000 1.063 294 I CA -1.083 60.267 61.300 0.084 0.000 1.033 294 I CB 0.669 38.787 38.000 0.196 0.000 1.230 294 I HN 0.598 nan 8.210 nan 0.000 0.447 295 F N 1.120 120.911 119.950 -0.265 0.000 3.090 295 F HA -0.220 4.339 4.527 0.053 0.000 0.282 295 F C 0.073 175.294 175.800 -0.965 0.000 0.923 295 F CA 0.937 58.508 58.000 -0.714 0.000 0.977 295 F CB -0.791 37.686 39.000 -0.873 0.000 0.954 295 F HN 0.685 nan 8.300 nan 0.000 0.695 296 R N 0.071 120.008 120.500 -0.938 0.000 2.725 296 R HA 0.755 5.127 4.340 0.054 0.000 0.277 296 R C -1.521 174.116 176.300 -1.105 0.000 0.987 296 R CA -0.448 55.132 56.100 -0.867 0.000 0.901 296 R CB 1.251 31.305 30.300 -0.410 0.000 1.207 296 R HN -0.037 nan 8.270 nan 0.000 0.463 297 F N 0.254 120.156 119.950 -0.080 0.000 2.578 297 F HA 0.349 4.908 4.527 0.053 0.000 0.311 297 F C 0.947 176.593 175.800 -0.257 0.000 1.094 297 F CA -0.855 57.084 58.000 -0.102 0.000 0.923 297 F CB 2.413 41.698 39.000 0.475 0.000 1.230 297 F HN 0.449 nan 8.300 nan 0.000 0.450 298 S N 0.703 116.256 115.700 -0.246 0.000 2.371 298 S HA 0.053 4.555 4.470 0.054 0.000 0.224 298 S C -0.076 174.117 174.600 -0.678 0.000 1.029 298 S CA 1.055 58.940 58.200 -0.526 0.000 0.978 298 S CB -0.160 62.738 63.200 -0.503 0.000 0.833 298 S HN 0.366 nan 8.310 nan 0.000 0.466 299 F N 1.631 121.735 119.950 0.256 0.000 2.434 299 F HA 0.557 5.117 4.527 0.054 0.000 0.355 299 F C -0.108 175.814 175.800 0.203 0.000 1.115 299 F CA -1.015 57.129 58.000 0.240 0.000 1.010 299 F CB 1.352 40.528 39.000 0.293 0.000 1.234 299 F HN -0.115 nan 8.300 nan 0.000 0.439 300 V N 0.659 120.588 119.914 0.025 0.000 3.141 300 V HA 0.780 4.932 4.120 0.054 0.000 0.312 300 V C -2.886 172.799 176.094 -0.682 0.000 1.157 300 V CA -3.373 58.572 62.300 -0.591 0.000 1.041 300 V CB 2.088 33.773 31.823 -0.229 0.000 1.071 300 V HN 0.254 nan 8.190 nan 0.000 0.441 301 P HA 0.149 nan 4.420 nan 0.000 0.266 301 P C -0.751 176.389 177.300 -0.267 0.000 1.193 301 P CA 0.375 63.147 63.100 -0.547 0.000 0.770 301 P CB 0.560 31.855 31.700 -0.675 0.000 0.836 302 V N 4.397 124.247 119.914 -0.107 0.000 2.555 302 V HA 0.237 4.389 4.120 0.054 0.000 0.302 302 V C -0.464 175.609 176.094 -0.035 0.000 1.038 302 V CA -0.945 61.321 62.300 -0.057 0.000 0.887 302 V CB 2.012 33.836 31.823 0.001 0.000 0.991 302 V HN 0.144 nan 8.190 nan 0.000 0.434 303 V N 7.521 127.411 119.914 -0.040 0.000 2.403 303 V HA 0.191 4.344 4.120 0.054 0.000 0.265 303 V C 0.749 176.846 176.094 0.005 0.000 1.034 303 V CA 0.526 62.818 62.300 -0.015 0.000 1.036 303 V CB 0.405 32.211 31.823 -0.030 0.000 1.032 303 V HN 1.059 nan 8.190 nan 0.000 0.478 304 D N 2.822 123.242 120.400 0.033 0.000 2.469 304 D HA 0.166 4.838 4.640 0.054 0.000 0.213 304 D C 1.502 177.826 176.300 0.039 0.000 1.135 304 D CA 0.509 54.533 54.000 0.040 0.000 0.834 304 D CB 0.613 41.451 40.800 0.065 0.000 1.009 304 D HN 0.673 nan 8.370 nan 0.000 0.507 305 G N 0.891 109.711 108.800 0.034 0.000 2.270 305 G HA2 -0.416 3.576 3.960 0.054 0.000 0.268 305 G HA3 -0.416 3.576 3.960 0.054 0.000 0.268 305 G C 0.740 175.662 174.900 0.035 0.000 0.982 305 G CA 1.071 46.187 45.100 0.026 0.000 0.628 305 G HN 0.533 nan 8.290 nan 0.000 0.544 306 D N -1.011 119.427 120.400 0.063 0.000 2.634 306 D HA 0.202 4.874 4.640 0.054 0.000 0.262 306 D C 1.974 178.330 176.300 0.093 0.000 1.354 306 D CA 0.651 54.695 54.000 0.074 0.000 1.028 306 D CB -0.495 40.361 40.800 0.094 0.000 1.061 306 D HN 0.176 nan 8.370 nan 0.000 0.387 307 F N 0.855 120.812 119.950 0.012 0.000 2.075 307 F HA 0.120 4.679 4.527 0.053 0.000 0.297 307 F C 0.624 176.422 175.800 -0.003 0.000 1.113 307 F CA 1.134 59.139 58.000 0.009 0.000 1.218 307 F CB 0.081 39.084 39.000 0.005 0.000 0.984 307 F HN -0.042 nan 8.300 nan 0.000 0.472 308 L N 0.913 122.286 121.223 0.251 0.000 2.277 308 L HA 0.203 4.575 4.340 0.054 0.000 0.284 308 L C 1.439 178.342 176.870 0.056 0.000 1.028 308 L CA -0.199 54.716 54.840 0.125 0.000 0.835 308 L CB 1.313 43.444 42.059 0.120 0.000 1.215 308 L HN 0.109 nan 8.230 nan 0.000 0.425 309 S N 0.667 116.378 115.700 0.019 0.000 2.399 309 S HA -0.064 4.438 4.470 0.054 0.000 0.231 309 S C 0.557 175.160 174.600 0.005 0.000 1.022 309 S CA 0.724 58.928 58.200 0.006 0.000 0.983 309 S CB 0.151 63.344 63.200 -0.011 0.000 0.803 309 S HN 0.698 nan 8.310 nan 0.000 0.480 310 D N 0.325 120.728 120.400 0.006 0.000 2.732 310 D HA 0.349 5.021 4.640 0.054 0.000 0.292 310 D C -0.612 175.686 176.300 -0.004 0.000 1.135 310 D CA 0.005 54.004 54.000 -0.001 0.000 1.071 310 D CB 1.786 42.584 40.800 -0.004 0.000 1.457 310 D HN 0.296 nan 8.370 nan 0.000 0.547 311 T N -1.065 113.479 114.554 -0.017 0.000 2.906 311 T HA 0.138 4.520 4.350 0.054 0.000 0.320 311 T C -1.829 172.856 174.700 -0.025 0.000 1.088 311 T CA -0.706 61.375 62.100 -0.032 0.000 1.120 311 T CB 0.838 69.679 68.868 -0.044 0.000 1.000 311 T HN 0.109 nan 8.240 nan 0.000 0.550 312 P HA -0.122 nan 4.420 nan 0.000 0.216 312 P C 1.518 178.802 177.300 -0.027 0.000 1.150 312 P CA 1.354 64.430 63.100 -0.039 0.000 0.843 312 P CB 0.049 31.692 31.700 -0.095 0.000 0.787 313 E N 0.074 120.245 120.200 -0.048 0.000 2.038 313 E HA -0.239 4.143 4.350 0.054 0.000 0.195 313 E C 1.952 178.550 176.600 -0.003 0.000 1.000 313 E CA 1.611 57.991 56.400 -0.033 0.000 0.803 313 E CB -0.845 28.827 29.700 -0.046 0.000 0.750 313 E HN 0.064 nan 8.360 nan 0.000 0.448 314 A N 1.103 123.919 122.820 -0.006 0.000 1.892 314 A HA -0.183 4.170 4.320 0.054 0.000 0.218 314 A C 2.312 179.913 177.584 0.028 0.000 1.188 314 A CA 1.694 53.733 52.037 0.004 0.000 0.631 314 A CB -0.806 18.191 19.000 -0.005 0.000 0.822 314 A HN 0.386 nan 8.150 nan 0.000 0.447 315 L N -0.291 120.958 121.223 0.043 0.000 2.109 315 L HA -0.104 4.269 4.340 0.054 0.000 0.207 315 L C 2.546 179.534 176.870 0.197 0.000 1.086 315 L CA 1.391 56.284 54.840 0.087 0.000 0.760 315 L CB -0.539 41.574 42.059 0.090 0.000 0.910 315 L HN 0.686 nan 8.230 nan 0.000 0.437 316 I N -3.244 117.432 120.570 0.177 0.000 2.761 316 I HA -0.098 4.104 4.170 0.054 0.000 0.261 316 I C 1.923 178.168 176.117 0.214 0.000 1.198 316 I CA 1.028 62.474 61.300 0.244 0.000 1.482 316 I CB -0.385 37.647 38.000 0.053 0.000 1.100 316 I HN 0.143 nan 8.210 nan 0.000 0.445 317 N N 1.640 120.407 118.700 0.111 0.000 2.188 317 N HA -0.117 4.655 4.740 0.054 0.000 0.184 317 N C 1.895 177.443 175.510 0.063 0.000 1.018 317 N CA 2.284 55.380 53.050 0.076 0.000 0.858 317 N CB -0.418 38.091 38.487 0.037 0.000 0.989 317 N HN 0.669 nan 8.380 nan 0.000 0.426 318 T N -3.645 110.932 114.554 0.040 0.000 3.001 318 T HA 0.299 4.681 4.350 0.054 0.000 0.251 318 T C 1.056 175.691 174.700 -0.108 0.000 1.040 318 T CA -0.235 61.852 62.100 -0.022 0.000 0.985 318 T CB -0.100 68.750 68.868 -0.030 0.000 1.011 318 T HN 0.073 nan 8.240 nan 0.000 0.509 319 G N 1.092 109.792 108.800 -0.167 0.000 2.594 319 G HA2 0.380 4.373 3.960 0.054 0.000 0.243 319 G HA3 0.380 4.373 3.960 0.054 0.000 0.243 319 G C -1.056 173.358 174.900 -0.809 0.000 1.229 319 G CA -0.426 44.292 45.100 -0.636 0.000 0.843 319 G HN 0.417 nan 8.290 nan 0.000 0.578 320 D N -0.247 119.666 120.400 -0.811 0.000 2.392 320 D HA 0.436 5.108 4.640 0.054 0.000 0.228 320 D C -0.444 175.509 176.300 -0.579 0.000 1.074 320 D CA -0.615 53.070 54.000 -0.526 0.000 0.838 320 D CB 0.514 41.160 40.800 -0.256 0.000 1.067 320 D HN 0.105 nan 8.370 nan 0.000 0.511 321 F N 2.450 122.399 119.950 -0.001 0.000 2.855 321 F HA 0.214 4.774 4.527 0.054 0.000 0.317 321 F C 1.848 177.650 175.800 0.003 0.000 1.169 321 F CA -0.517 57.485 58.000 0.004 0.000 1.299 321 F CB 0.354 39.365 39.000 0.019 0.000 0.962 321 F HN 0.355 nan 8.300 nan 0.000 0.506 322 Q N 0.502 120.356 119.800 0.090 0.000 1.985 322 Q HA -0.164 4.208 4.340 0.054 0.000 0.207 322 Q C 0.437 176.473 176.000 0.060 0.000 0.996 322 Q CA 1.576 57.413 55.803 0.057 0.000 0.851 322 Q CB -0.193 28.552 28.738 0.012 0.000 0.921 322 Q HN 0.360 nan 8.270 nan 0.000 0.418 323 D N 0.461 120.886 120.400 0.043 0.000 2.881 323 D HA 0.180 4.853 4.640 0.054 0.000 0.240 323 D C -0.427 175.898 176.300 0.042 0.000 1.249 323 D CA -0.008 54.009 54.000 0.029 0.000 0.839 323 D CB -0.227 40.576 40.800 0.005 0.000 1.042 323 D HN -0.005 nan 8.370 nan 0.000 0.475 324 L N 0.976 122.248 121.223 0.082 0.000 2.362 324 L HA 0.355 4.727 4.340 0.054 0.000 0.275 324 L C -1.062 175.877 176.870 0.116 0.000 0.998 324 L CA -0.533 54.369 54.840 0.103 0.000 0.820 324 L CB 1.978 44.136 42.059 0.165 0.000 1.270 324 L HN -0.237 nan 8.230 nan 0.000 0.415 325 Q N 3.381 123.265 119.800 0.140 0.000 2.312 325 Q HA 0.801 5.173 4.340 0.054 0.000 0.263 325 Q C -1.380 174.883 176.000 0.439 0.000 0.995 325 Q CA -0.476 55.470 55.803 0.238 0.000 0.853 325 Q CB 2.654 31.488 28.738 0.161 0.000 1.300 325 Q HN 0.478 nan 8.270 nan 0.000 0.448 326 V N 2.558 122.708 119.914 0.393 0.000 2.686 326 V HA 0.435 4.587 4.120 0.054 0.000 0.306 326 V C -1.486 174.543 176.094 -0.108 0.000 1.065 326 V CA -0.845 61.578 62.300 0.205 0.000 0.894 326 V CB 1.955 33.804 31.823 0.043 0.000 1.004 326 V HN 0.623 nan 8.190 nan 0.000 0.424 327 L N 7.451 128.337 121.223 -0.561 0.000 2.287 327 L HA 0.888 5.261 4.340 0.054 0.000 0.287 327 L C -0.415 176.314 176.870 -0.236 0.000 1.022 327 L CA -0.038 54.397 54.840 -0.676 0.000 0.814 327 L CB 1.549 42.707 42.059 -1.502 0.000 1.217 327 L HN 0.595 nan 8.230 nan 0.000 0.420 328 V N 2.123 121.980 119.914 -0.095 0.000 2.962 328 V HA 1.125 5.277 4.120 0.054 0.000 0.313 328 V C -0.150 175.719 176.094 -0.375 0.000 1.099 328 V CA 0.132 62.361 62.300 -0.119 0.000 0.971 328 V CB 1.144 32.863 31.823 -0.174 0.000 1.028 328 V HN 1.073 nan 8.190 nan 0.000 0.430 329 G N 0.685 109.084 108.800 -0.669 0.000 2.495 329 G HA2 0.775 4.768 3.960 0.054 0.000 0.294 329 G HA3 0.775 4.768 3.960 0.054 0.000 0.294 329 G C -1.213 173.338 174.900 -0.582 0.000 1.397 329 G CA 0.078 44.379 45.100 -1.331 0.000 0.790 329 G HN 2.043 nan 8.290 nan 0.000 0.486 330 V N -2.394 117.334 119.914 -0.311 0.000 3.160 330 V HA 0.928 5.081 4.120 0.054 0.000 0.310 330 V C 0.364 176.656 176.094 0.331 0.000 1.181 330 V CA -0.400 61.949 62.300 0.083 0.000 1.047 330 V CB 1.103 32.949 31.823 0.039 0.000 1.068 330 V HN 1.835 nan 8.190 nan 0.000 0.441 331 V N -0.750 119.388 119.914 0.373 0.000 3.109 331 V HA 0.562 4.714 4.120 0.054 0.000 0.317 331 V C 1.382 177.683 176.094 0.346 0.000 1.074 331 V CA 0.013 62.584 62.300 0.452 0.000 1.033 331 V CB 1.283 33.371 31.823 0.443 0.000 1.111 331 V HN 1.106 nan 8.190 nan 0.000 0.458 332 K N -0.376 120.226 120.400 0.337 0.000 2.283 332 K HA -0.036 4.316 4.320 0.054 0.000 0.202 332 K C 0.242 176.977 176.600 0.226 0.000 1.048 332 K CA 1.649 58.086 56.287 0.251 0.000 0.948 332 K CB 0.096 32.724 32.500 0.213 0.000 0.742 332 K HN 0.896 nan 8.250 nan 0.000 0.458 333 D N 1.119 121.667 120.400 0.246 0.000 2.861 333 D HA 0.023 4.695 4.640 0.054 0.000 0.357 333 D C 0.100 176.551 176.300 0.253 0.000 1.250 333 D CA -0.110 54.024 54.000 0.223 0.000 0.802 333 D CB 1.142 42.055 40.800 0.188 0.000 1.141 333 D HN 0.110 nan 8.370 nan 0.000 0.489 334 E N 0.563 120.912 120.200 0.249 0.000 2.169 334 E HA -0.178 4.204 4.350 0.054 0.000 0.202 334 E C 1.863 178.632 176.600 0.281 0.000 1.016 334 E CA 1.167 57.721 56.400 0.256 0.000 0.817 334 E CB 0.056 29.840 29.700 0.140 0.000 0.736 334 E HN 0.439 nan 8.360 nan 0.000 0.462 335 G N 0.307 109.247 108.800 0.233 0.000 2.986 335 G HA2 -0.080 3.912 3.960 0.054 0.000 0.213 335 G HA3 -0.080 3.912 3.960 0.054 0.000 0.213 335 G C 1.637 176.748 174.900 0.351 0.000 1.156 335 G CA 0.661 45.919 45.100 0.264 0.000 0.763 335 G HN 0.346 nan 8.290 nan 0.000 0.547 336 S N -0.044 115.825 115.700 0.282 0.000 2.355 336 S HA -0.170 4.332 4.470 0.054 0.000 0.222 336 S C 2.065 176.732 174.600 0.111 0.000 1.031 336 S CA 1.020 59.345 58.200 0.208 0.000 0.993 336 S CB -0.824 62.397 63.200 0.034 0.000 0.859 336 S HN 0.375 nan 8.310 nan 0.000 0.453 337 Y N 1.672 121.896 120.300 -0.128 0.000 2.139 337 Y HA -0.228 4.354 4.550 0.053 0.000 0.282 337 Y C 1.761 177.505 175.900 -0.261 0.000 1.179 337 Y CA 2.036 59.874 58.100 -0.435 0.000 1.161 337 Y CB -0.410 37.661 38.460 -0.649 0.000 0.970 337 Y HN 0.282 nan 8.280 nan 0.000 0.511 338 F N -1.023 119.081 119.950 0.257 0.000 2.456 338 F HA -0.084 4.474 4.527 0.052 0.000 0.298 338 F C 1.917 177.861 175.800 0.241 0.000 1.104 338 F CA 0.618 58.768 58.000 0.249 0.000 1.435 338 F CB -0.596 38.450 39.000 0.076 0.000 1.078 338 F HN -0.020 nan 8.300 nan 0.000 0.546 339 L N 0.094 121.487 121.223 0.284 0.000 2.079 339 L HA -0.180 4.192 4.340 0.054 0.000 0.210 339 L C 2.514 179.527 176.870 0.239 0.000 1.081 339 L CA 1.254 56.124 54.840 0.050 0.000 0.752 339 L CB -1.032 40.767 42.059 -0.433 0.000 0.896 339 L HN 0.191 nan 8.230 nan 0.000 0.433 340 V N -4.103 116.003 119.914 0.320 0.000 3.078 340 V HA -0.216 3.936 4.120 0.054 0.000 0.265 340 V C 0.998 177.146 176.094 0.090 0.000 1.122 340 V CA 1.095 63.560 62.300 0.275 0.000 1.141 340 V CB -1.165 30.820 31.823 0.269 0.000 0.735 340 V HN 0.353 nan 8.190 nan 0.000 0.498 341 Y N 1.454 121.871 120.300 0.196 0.000 2.781 341 Y HA 0.698 5.280 4.550 0.053 0.000 0.326 341 Y C 1.439 177.441 175.900 0.171 0.000 1.019 341 Y CA 0.151 58.350 58.100 0.165 0.000 1.372 341 Y CB 0.735 39.304 38.460 0.183 0.000 1.260 341 Y HN 0.351 nan 8.280 nan 0.000 0.546 342 G N -1.025 107.936 108.800 0.269 0.000 2.870 342 G HA2 -0.127 3.865 3.960 0.054 0.000 0.216 342 G HA3 -0.127 3.865 3.960 0.054 0.000 0.216 342 G C -0.760 174.252 174.900 0.188 0.000 0.973 342 G CA -0.503 44.726 45.100 0.216 0.000 0.807 342 G HN 0.015 nan 8.290 nan 0.000 0.573 343 V N 2.638 122.684 119.914 0.220 0.000 2.318 343 V HA 0.400 4.552 4.120 0.054 0.000 0.271 343 V C -1.956 174.345 176.094 0.345 0.000 1.030 343 V CA -1.737 60.711 62.300 0.246 0.000 0.844 343 V CB 1.224 33.150 31.823 0.173 0.000 1.015 343 V HN 0.059 nan 8.190 nan 0.000 0.460 344 P HA 0.160 nan 4.420 nan 0.000 0.260 344 P C 1.055 178.446 177.300 0.152 0.000 1.172 344 P CA 1.531 64.731 63.100 0.166 0.000 0.760 344 P CB 0.495 32.261 31.700 0.109 0.000 0.773 345 G N 1.500 110.323 108.800 0.039 0.000 2.201 345 G HA2 -0.204 3.789 3.960 0.054 0.000 0.212 345 G HA3 -0.204 3.789 3.960 0.054 0.000 0.212 345 G C -0.198 174.459 174.900 -0.404 0.000 0.994 345 G CA -0.640 44.340 45.100 -0.199 0.000 0.644 345 G HN 0.399 nan 8.290 nan 0.000 0.508 346 F N 1.270 121.233 119.950 0.022 0.000 2.450 346 F HA 0.810 5.368 4.527 0.052 0.000 0.332 346 F C 0.533 176.436 175.800 0.171 0.000 1.093 346 F CA -0.212 57.818 58.000 0.050 0.000 1.003 346 F CB 2.418 41.497 39.000 0.132 0.000 1.151 346 F HN 0.174 nan 8.300 nan 0.000 0.474 347 S N 1.407 117.371 115.700 0.439 0.000 2.556 347 S HA 0.219 4.721 4.470 0.054 0.000 0.280 347 S C 0.170 175.057 174.600 0.479 0.000 1.141 347 S CA -0.919 57.514 58.200 0.388 0.000 0.883 347 S CB 1.116 64.437 63.200 0.202 0.000 1.103 347 S HN 0.759 nan 8.310 nan 0.000 0.453 348 K N 2.008 122.562 120.400 0.255 0.000 2.362 348 K HA -0.005 4.347 4.320 0.054 0.000 0.200 348 K C 0.403 176.988 176.600 -0.026 0.000 1.046 348 K CA 1.488 57.808 56.287 0.056 0.000 0.952 348 K CB -0.083 32.142 32.500 -0.458 0.000 0.753 348 K HN 0.447 nan 8.250 nan 0.000 0.466 349 D N 1.090 121.472 120.400 -0.031 0.000 2.269 349 D HA -0.049 4.623 4.640 0.054 0.000 0.220 349 D C 0.546 176.855 176.300 0.016 0.000 0.962 349 D CA 0.795 54.752 54.000 -0.071 0.000 0.884 349 D CB -0.157 40.586 40.800 -0.094 0.000 1.023 349 D HN 0.453 nan 8.370 nan 0.000 0.484 350 N N 0.249 118.980 118.700 0.051 0.000 2.495 350 N HA 0.057 4.830 4.740 0.054 0.000 0.294 350 N C 0.472 176.028 175.510 0.076 0.000 1.276 350 N CA -0.325 52.743 53.050 0.029 0.000 0.973 350 N CB 0.414 38.884 38.487 -0.028 0.000 1.143 350 N HN -0.219 nan 8.380 nan 0.000 0.589 351 E N -1.302 118.880 120.200 -0.031 0.000 2.489 351 E HA 0.063 4.445 4.350 0.054 0.000 0.193 351 E C -0.500 175.765 176.600 -0.558 0.000 1.057 351 E CA -0.089 56.246 56.400 -0.109 0.000 0.866 351 E CB -0.163 29.503 29.700 -0.056 0.000 0.916 351 E HN 0.574 nan 8.360 nan 0.000 0.500 352 S N 0.351 115.739 115.700 -0.521 0.000 3.533 352 S HA -0.197 4.305 4.470 0.054 0.000 0.347 352 S C 0.269 174.398 174.600 -0.784 0.000 1.101 352 S CA 0.209 57.929 58.200 -0.801 0.000 1.009 352 S CB -1.614 60.846 63.200 -1.234 0.000 0.916 352 S HN 0.354 nan 8.310 nan 0.000 0.496 353 L N 1.804 122.745 121.223 -0.470 0.000 2.565 353 L HA 0.270 4.642 4.340 0.054 0.000 0.275 353 L C 0.772 177.444 176.870 -0.329 0.000 1.137 353 L CA 0.138 54.778 54.840 -0.333 0.000 0.915 353 L CB -0.246 41.693 42.059 -0.201 0.000 1.232 353 L HN 0.425 nan 8.230 nan 0.000 0.473 354 I N 0.455 120.819 120.570 -0.343 0.000 2.676 354 I HA 0.570 4.772 4.170 0.054 0.000 0.309 354 I C 0.660 176.708 176.117 -0.115 0.000 0.990 354 I CA -0.586 60.551 61.300 -0.272 0.000 1.168 354 I CB 1.749 39.552 38.000 -0.329 0.000 1.343 354 I HN 0.518 nan 8.210 nan 0.000 0.482 355 S N 2.961 118.625 115.700 -0.060 0.000 2.632 355 S HA 0.337 4.839 4.470 0.054 0.000 0.267 355 S C 1.041 175.672 174.600 0.052 0.000 1.276 355 S CA -0.414 57.778 58.200 -0.013 0.000 0.998 355 S CB 1.546 64.743 63.200 -0.005 0.000 0.953 355 S HN 0.877 nan 8.310 nan 0.000 0.547 356 R N 1.422 121.952 120.500 0.049 0.000 2.133 356 R HA -0.193 4.180 4.340 0.054 0.000 0.245 356 R C 2.356 178.757 176.300 0.167 0.000 1.137 356 R CA 2.377 58.543 56.100 0.109 0.000 0.947 356 R CB -1.346 28.994 30.300 0.067 0.000 0.865 356 R HN 0.876 nan 8.270 nan 0.000 0.437 357 A N -0.080 122.802 122.820 0.103 0.000 1.933 357 A HA -0.192 4.161 4.320 0.054 0.000 0.218 357 A C 2.088 179.729 177.584 0.095 0.000 1.175 357 A CA 1.621 53.712 52.037 0.089 0.000 0.628 357 A CB -0.478 18.556 19.000 0.057 0.000 0.814 357 A HN 0.576 nan 8.150 nan 0.000 0.444 358 Q N -1.982 117.879 119.800 0.101 0.000 2.224 358 Q HA -0.103 4.269 4.340 0.054 0.000 0.203 358 Q C 1.795 177.910 176.000 0.192 0.000 0.970 358 Q CA 1.358 57.228 55.803 0.113 0.000 0.865 358 Q CB -0.228 28.550 28.738 0.066 0.000 0.922 358 Q HN 0.816 nan 8.270 nan 0.000 0.445 359 F N 0.808 120.804 119.950 0.076 0.000 2.146 359 F HA -0.156 4.408 4.527 0.061 0.000 0.298 359 F C 1.669 177.523 175.800 0.090 0.000 1.096 359 F CA 0.963 59.023 58.000 0.101 0.000 1.275 359 F CB 0.127 39.169 39.000 0.069 0.000 1.008 359 F HN -0.046 nan 8.300 nan 0.000 0.480 360 L N 0.021 121.213 121.223 -0.053 0.000 2.093 360 L HA -0.136 4.236 4.340 0.054 0.000 0.208 360 L C 2.767 179.570 176.870 -0.111 0.000 1.085 360 L CA 1.155 55.912 54.840 -0.139 0.000 0.755 360 L CB -1.572 40.493 42.059 0.010 0.000 0.904 360 L HN 0.266 nan 8.230 nan 0.000 0.435 361 A N 0.756 123.558 122.820 -0.031 0.000 1.872 361 A HA -0.012 4.340 4.320 0.054 0.000 0.214 361 A C 2.453 180.031 177.584 -0.010 0.000 1.187 361 A CA 1.349 53.384 52.037 -0.004 0.000 0.614 361 A CB -1.174 17.847 19.000 0.035 0.000 0.826 361 A HN 0.389 nan 8.150 nan 0.000 0.442 362 G N -0.222 108.585 108.800 0.013 0.000 2.505 362 G HA2 -0.221 3.772 3.960 0.054 0.000 0.220 362 G HA3 -0.221 3.772 3.960 0.054 0.000 0.220 362 G C 1.505 176.365 174.900 -0.068 0.000 1.145 362 G CA 1.446 46.567 45.100 0.034 0.000 0.761 362 G HN 0.331 nan 8.290 nan 0.000 0.571 363 V N 1.070 120.859 119.914 -0.209 0.000 2.407 363 V HA -0.140 4.013 4.120 0.054 0.000 0.248 363 V C 2.958 178.993 176.094 -0.098 0.000 1.055 363 V CA 1.761 63.933 62.300 -0.213 0.000 1.049 363 V CB -0.379 31.217 31.823 -0.379 0.000 0.662 363 V HN 0.274 nan 8.190 nan 0.000 0.455 364 R N -0.115 120.341 120.500 -0.073 0.000 2.115 364 R HA 0.010 4.382 4.340 0.054 0.000 0.230 364 R C 2.006 178.291 176.300 -0.025 0.000 1.111 364 R CA 1.324 57.401 56.100 -0.038 0.000 0.976 364 R CB -0.763 29.523 30.300 -0.023 0.000 0.870 364 R HN 0.471 nan 8.270 nan 0.000 0.445 365 I N -0.276 120.285 120.570 -0.015 0.000 2.480 365 I HA -0.037 4.165 4.170 0.054 0.000 0.251 365 I C 2.370 178.487 176.117 0.001 0.000 1.124 365 I CA 1.201 62.503 61.300 0.004 0.000 1.444 365 I CB -0.418 37.603 38.000 0.036 0.000 1.098 365 I HN 0.169 nan 8.210 nan 0.000 0.428 366 G N 0.381 109.174 108.800 -0.010 0.000 2.421 366 G HA2 -0.056 3.936 3.960 0.054 0.000 0.217 366 G HA3 -0.056 3.936 3.960 0.054 0.000 0.217 366 G C 0.838 175.736 174.900 -0.003 0.000 1.143 366 G CA 0.423 45.518 45.100 -0.008 0.000 0.784 366 G HN 0.223 nan 8.290 nan 0.000 0.541 367 V N 2.289 122.178 119.914 -0.042 0.000 2.271 367 V HA 0.228 4.380 4.120 0.054 0.000 0.259 367 V C -1.485 174.585 176.094 -0.041 0.000 1.030 367 V CA -1.115 61.126 62.300 -0.099 0.000 0.957 367 V CB 1.540 33.278 31.823 -0.141 0.000 1.186 367 V HN 0.113 nan 8.190 nan 0.000 0.471 368 P HA -0.081 nan 4.420 nan 0.000 0.225 368 P C 1.051 178.335 177.300 -0.027 0.000 1.156 368 P CA 0.812 63.895 63.100 -0.027 0.000 0.787 368 P CB 0.599 32.273 31.700 -0.043 0.000 0.802 369 Q N -0.270 119.522 119.800 -0.013 0.000 2.444 369 Q HA 0.231 4.603 4.340 0.054 0.000 0.206 369 Q C 0.776 176.762 176.000 -0.023 0.000 0.948 369 Q CA 0.019 55.813 55.803 -0.015 0.000 0.946 369 Q CB -0.515 28.227 28.738 0.006 0.000 1.027 369 Q HN 0.168 nan 8.270 nan 0.000 0.513 370 A N 0.694 123.498 122.820 -0.027 0.000 2.366 370 A HA 0.461 4.813 4.320 0.054 0.000 0.272 370 A C 0.352 177.922 177.584 -0.024 0.000 1.135 370 A CA -0.425 51.594 52.037 -0.029 0.000 0.804 370 A CB 0.242 19.226 19.000 -0.026 0.000 1.064 370 A HN 0.342 nan 8.150 nan 0.000 0.499 371 S N 2.117 117.801 115.700 -0.026 0.000 2.587 371 S HA 0.067 4.569 4.470 0.054 0.000 0.260 371 S C 0.386 174.983 174.600 -0.005 0.000 1.353 371 S CA 0.138 58.327 58.200 -0.019 0.000 0.995 371 S CB 0.357 63.542 63.200 -0.024 0.000 0.912 371 S HN 0.638 nan 8.310 nan 0.000 0.568 372 D N 0.073 120.474 120.400 0.002 0.000 2.149 372 D HA -0.082 4.590 4.640 0.054 0.000 0.198 372 D C 1.731 178.048 176.300 0.029 0.000 0.990 372 D CA 0.866 54.875 54.000 0.014 0.000 0.839 372 D CB -0.443 40.367 40.800 0.015 0.000 0.948 372 D HN 0.408 nan 8.370 nan 0.000 0.460 373 L N 0.996 122.236 121.223 0.028 0.000 2.005 373 L HA -0.011 4.361 4.340 0.054 0.000 0.207 373 L C 2.172 179.085 176.870 0.072 0.000 1.072 373 L CA 1.795 56.666 54.840 0.051 0.000 0.744 373 L CB -1.007 41.075 42.059 0.039 0.000 0.895 373 L HN -0.016 nan 8.230 nan 0.000 0.433 374 A N -0.348 122.491 122.820 0.033 0.000 1.917 374 A HA -0.218 4.134 4.320 0.054 0.000 0.219 374 A C 2.434 180.062 177.584 0.072 0.000 1.182 374 A CA 2.286 54.340 52.037 0.028 0.000 0.633 374 A CB -1.270 17.702 19.000 -0.046 0.000 0.819 374 A HN 0.610 nan 8.150 nan 0.000 0.448 375 A N -0.804 122.044 122.820 0.047 0.000 1.930 375 A HA -0.118 4.235 4.320 0.054 0.000 0.217 375 A C 1.945 179.575 177.584 0.077 0.000 1.175 375 A CA 1.638 53.702 52.037 0.044 0.000 0.627 375 A CB -0.467 18.538 19.000 0.008 0.000 0.815 375 A HN 0.626 nan 8.150 nan 0.000 0.443 376 E N -0.272 119.983 120.200 0.090 0.000 2.051 376 E HA -0.112 4.270 4.350 0.054 0.000 0.192 376 E C 2.327 179.026 176.600 0.165 0.000 0.991 376 E CA 0.982 57.455 56.400 0.122 0.000 0.799 376 E CB -0.281 29.483 29.700 0.106 0.000 0.748 376 E HN 0.597 nan 8.360 nan 0.000 0.449 377 A N 0.581 123.517 122.820 0.194 0.000 1.892 377 A HA -0.222 4.131 4.320 0.054 0.000 0.218 377 A C 2.455 180.145 177.584 0.177 0.000 1.188 377 A CA 1.657 53.849 52.037 0.258 0.000 0.631 377 A CB -0.870 18.421 19.000 0.483 0.000 0.822 377 A HN 0.164 nan 8.150 nan 0.000 0.447 378 V N -0.570 119.500 119.914 0.260 0.000 2.261 378 V HA -0.243 3.909 4.120 0.054 0.000 0.246 378 V C 2.595 178.880 176.094 0.319 0.000 1.047 378 V CA 2.034 64.479 62.300 0.241 0.000 1.015 378 V CB -0.843 31.126 31.823 0.242 0.000 0.642 378 V HN 0.381 nan 8.190 nan 0.000 0.446 379 V N -0.036 120.027 119.914 0.248 0.000 2.287 379 V HA -0.291 3.861 4.120 0.054 0.000 0.248 379 V C 2.292 178.636 176.094 0.418 0.000 1.053 379 V CA 2.215 64.726 62.300 0.350 0.000 1.027 379 V CB -0.597 31.355 31.823 0.215 0.000 0.646 379 V HN 0.462 nan 8.190 nan 0.000 0.447 380 L N -0.774 120.660 121.223 0.353 0.000 2.141 380 L HA -0.178 4.194 4.340 0.054 0.000 0.209 380 L C 2.513 179.606 176.870 0.372 0.000 1.094 380 L CA 1.863 56.993 54.840 0.483 0.000 0.763 380 L CB -0.790 41.452 42.059 0.304 0.000 0.908 380 L HN 0.467 nan 8.230 nan 0.000 0.437 381 H N -0.715 118.348 119.070 -0.011 0.000 2.363 381 H HA -0.168 4.422 4.556 0.057 0.000 0.301 381 H C 1.907 177.105 175.328 -0.216 0.000 1.074 381 H CA 1.846 57.715 56.048 -0.297 0.000 1.354 381 H CB 0.017 29.220 29.762 -0.931 0.000 1.397 381 H HN 0.226 nan 8.280 nan 0.000 0.516 382 Y N 0.111 120.468 120.300 0.095 0.000 2.490 382 Y HA 0.103 4.684 4.550 0.052 0.000 0.285 382 Y C 0.819 176.653 175.900 -0.110 0.000 1.117 382 Y CA 0.509 58.668 58.100 0.098 0.000 1.262 382 Y CB 0.181 38.877 38.460 0.392 0.000 1.043 382 Y HN 0.042 nan 8.280 nan 0.000 0.553 383 T N 1.933 116.434 114.554 -0.087 0.000 2.867 383 T HA -0.095 4.287 4.350 0.054 0.000 0.297 383 T C -0.162 174.132 174.700 -0.676 0.000 0.989 383 T CA -0.113 61.629 62.100 -0.596 0.000 1.159 383 T CB 0.075 68.261 68.868 -1.137 0.000 0.928 383 T HN 0.083 nan 8.240 nan 0.000 0.538 384 D N 2.230 122.340 120.400 -0.483 0.000 2.344 384 D HA 0.045 4.717 4.640 0.054 0.000 0.253 384 D C 0.152 176.168 176.300 -0.474 0.000 1.255 384 D CA -0.540 53.258 54.000 -0.337 0.000 0.894 384 D CB 0.393 41.102 40.800 -0.151 0.000 1.067 384 D HN 0.622 nan 8.370 nan 0.000 0.492 385 W N 3.286 124.505 121.300 -0.136 0.000 2.595 385 W HA 0.019 4.709 4.660 0.050 0.000 0.257 385 W C 2.019 178.411 176.519 -0.211 0.000 1.267 385 W CA -0.147 57.113 57.345 -0.142 0.000 1.300 385 W CB -0.113 29.279 29.460 -0.112 0.000 1.120 385 W HN 0.430 nan 8.180 nan 0.000 0.618 386 L N -1.006 120.114 121.223 -0.172 0.000 2.201 386 L HA -0.091 4.282 4.340 0.054 0.000 0.212 386 L C 0.201 176.593 176.870 -0.797 0.000 1.105 386 L CA 1.167 55.720 54.840 -0.478 0.000 0.775 386 L CB -0.659 41.039 42.059 -0.602 0.000 0.913 386 L HN 0.088 nan 8.230 nan 0.000 0.440 387 H N -1.856 117.062 119.070 -0.253 0.000 2.712 387 H HA 0.150 4.715 4.556 0.014 0.000 0.226 387 H C -1.842 173.276 175.328 -0.349 0.000 1.422 387 H CA -1.186 54.661 56.048 -0.334 0.000 1.270 387 H CB 0.187 29.582 29.762 -0.611 0.000 1.891 387 H HN -0.069 nan 8.280 nan 0.000 0.518 388 P HA -0.173 nan 4.420 nan 0.000 0.219 388 P C 0.642 177.787 177.300 -0.258 0.000 1.146 388 P CA 1.359 64.245 63.100 -0.357 0.000 0.808 388 P CB 0.652 32.240 31.700 -0.186 0.000 0.779 389 E N -0.854 119.266 120.200 -0.134 0.000 2.562 389 E HA 0.038 4.420 4.350 0.054 0.000 0.214 389 E C -0.021 176.536 176.600 -0.071 0.000 0.979 389 E CA -0.263 56.085 56.400 -0.087 0.000 1.002 389 E CB 0.072 29.750 29.700 -0.036 0.000 1.048 389 E HN 0.214 nan 8.360 nan 0.000 0.488 390 D N 2.194 122.553 120.400 -0.069 0.000 2.472 390 D HA -0.032 4.641 4.640 0.054 0.000 0.248 390 D C -1.675 174.607 176.300 -0.031 0.000 1.174 390 D CA -1.297 52.686 54.000 -0.028 0.000 0.883 390 D CB 1.200 42.002 40.800 0.003 0.000 1.149 390 D HN -0.140 nan 8.370 nan 0.000 0.488 391 P HA -0.074 nan 4.420 nan 0.000 0.220 391 P C 1.104 178.355 177.300 -0.081 0.000 1.152 391 P CA 0.789 63.841 63.100 -0.079 0.000 0.812 391 P CB 0.206 31.847 31.700 -0.097 0.000 0.792 392 T N -1.271 113.253 114.554 -0.050 0.000 2.674 392 T HA -0.182 4.201 4.350 0.054 0.000 0.265 392 T C 1.520 176.178 174.700 -0.071 0.000 1.039 392 T CA 1.667 63.727 62.100 -0.067 0.000 1.150 392 T CB -1.139 67.684 68.868 -0.074 0.000 0.864 392 T HN 0.237 nan 8.240 nan 0.000 0.427 393 H N 0.788 119.798 119.070 -0.099 0.000 2.319 393 H HA 0.045 4.626 4.556 0.042 0.000 0.299 393 H C 2.164 177.393 175.328 -0.164 0.000 1.092 393 H CA 1.283 57.266 56.048 -0.108 0.000 1.302 393 H CB -0.481 29.205 29.762 -0.126 0.000 1.373 393 H HN 0.197 nan 8.280 nan 0.000 0.497 394 L N -0.023 121.134 121.223 -0.111 0.000 2.093 394 L HA -0.146 4.226 4.340 0.054 0.000 0.208 394 L C 2.769 179.600 176.870 -0.065 0.000 1.085 394 L CA 1.026 55.669 54.840 -0.328 0.000 0.755 394 L CB -0.285 41.600 42.059 -0.290 0.000 0.904 394 L HN 0.248 nan 8.230 nan 0.000 0.435 395 R N 0.601 121.120 120.500 0.030 0.000 2.062 395 R HA -0.169 4.203 4.340 0.054 0.000 0.231 395 R C 1.633 178.085 176.300 0.253 0.000 1.136 395 R CA 2.050 58.271 56.100 0.202 0.000 0.948 395 R CB -0.453 29.808 30.300 -0.066 0.000 0.845 395 R HN 0.272 nan 8.270 nan 0.000 0.430 396 D N 0.729 121.216 120.400 0.144 0.000 2.182 396 D HA -0.121 4.551 4.640 0.054 0.000 0.201 396 D C 1.709 178.116 176.300 0.178 0.000 0.986 396 D CA 1.563 55.664 54.000 0.169 0.000 0.847 396 D CB -0.197 40.649 40.800 0.076 0.000 0.942 396 D HN 0.420 nan 8.370 nan 0.000 0.467 397 A N 0.347 123.246 122.820 0.132 0.000 1.897 397 A HA -0.112 4.240 4.320 0.054 0.000 0.215 397 A C 2.107 179.848 177.584 0.262 0.000 1.181 397 A CA 1.320 53.468 52.037 0.185 0.000 0.620 397 A CB -0.427 18.558 19.000 -0.025 0.000 0.821 397 A HN 0.136 nan 8.150 nan 0.000 0.443 398 M N 0.102 119.930 119.600 0.380 0.000 2.080 398 M HA -0.102 4.410 4.480 0.054 0.000 0.260 398 M C 2.300 178.661 176.300 0.102 0.000 1.068 398 M CA 2.150 57.659 55.300 0.349 0.000 1.109 398 M CB -0.683 32.152 32.600 0.392 0.000 1.342 398 M HN 0.411 nan 8.290 nan 0.000 0.405 399 S N -0.225 115.555 115.700 0.134 0.000 2.351 399 S HA -0.149 4.353 4.470 0.054 0.000 0.220 399 S C 2.094 176.760 174.600 0.110 0.000 1.035 399 S CA 1.914 60.202 58.200 0.146 0.000 1.031 399 S CB -0.813 62.547 63.200 0.267 0.000 0.928 399 S HN 0.649 nan 8.310 nan 0.000 0.433 400 A N 1.045 123.947 122.820 0.137 0.000 1.884 400 A HA -0.095 4.257 4.320 0.054 0.000 0.219 400 A C 2.410 179.979 177.584 -0.024 0.000 1.197 400 A CA 2.194 54.325 52.037 0.157 0.000 0.637 400 A CB -1.425 17.776 19.000 0.336 0.000 0.827 400 A HN 0.491 nan 8.150 nan 0.000 0.450 401 V N -0.546 119.171 119.914 -0.329 0.000 2.252 401 V HA -0.289 3.863 4.120 0.054 0.000 0.249 401 V C 2.594 178.584 176.094 -0.174 0.000 1.056 401 V CA 2.277 64.337 62.300 -0.399 0.000 1.022 401 V CB -0.849 30.811 31.823 -0.271 0.000 0.641 401 V HN 0.398 nan 8.190 nan 0.000 0.445 402 V N 0.525 120.367 119.914 -0.120 0.000 2.343 402 V HA -0.170 3.982 4.120 0.054 0.000 0.247 402 V C 2.581 178.513 176.094 -0.271 0.000 1.051 402 V CA 2.172 64.383 62.300 -0.149 0.000 1.036 402 V CB -1.327 30.473 31.823 -0.039 0.000 0.654 402 V HN 0.634 nan 8.190 nan 0.000 0.451 403 G N -0.423 108.295 108.800 -0.137 0.000 2.402 403 G HA2 -0.223 3.769 3.960 0.054 0.000 0.216 403 G HA3 -0.223 3.769 3.960 0.054 0.000 0.216 403 G C 1.243 176.014 174.900 -0.214 0.000 1.162 403 G CA 1.009 46.030 45.100 -0.132 0.000 0.777 403 G HN 0.506 nan 8.290 nan 0.000 0.539 404 D N -0.199 120.099 120.400 -0.170 0.000 2.091 404 D HA -0.069 4.603 4.640 0.054 0.000 0.199 404 D C 2.117 178.027 176.300 -0.650 0.000 0.980 404 D CA 1.209 55.085 54.000 -0.207 0.000 0.831 404 D CB -0.592 40.302 40.800 0.157 0.000 0.987 404 D HN 0.360 nan 8.370 nan 0.000 0.460 405 H N 1.015 119.371 119.070 -1.190 0.000 2.353 405 H HA -0.046 4.542 4.556 0.053 0.000 0.298 405 H C 1.493 176.338 175.328 -0.805 0.000 1.103 405 H CA 1.805 56.927 56.048 -1.543 0.000 1.293 405 H CB 0.082 28.945 29.762 -1.498 0.000 1.372 405 H HN 0.006 nan 8.280 nan 0.000 0.501 406 N N -1.141 117.045 118.700 -0.856 0.000 2.439 406 N HA 0.021 4.793 4.740 0.054 0.000 0.176 406 N C 1.462 176.682 175.510 -0.483 0.000 1.029 406 N CA 1.121 53.613 53.050 -0.930 0.000 0.886 406 N CB 0.905 38.217 38.487 -1.957 0.000 1.057 406 N HN 0.270 nan 8.380 nan 0.000 0.437 407 V N -0.083 119.590 119.914 -0.402 0.000 3.134 407 V HA 0.068 4.220 4.120 0.054 0.000 0.222 407 V C 2.252 178.279 176.094 -0.112 0.000 1.247 407 V CA 0.283 62.508 62.300 -0.126 0.000 1.281 407 V CB -0.227 31.582 31.823 -0.024 0.000 1.169 407 V HN -0.156 nan 8.190 nan 0.000 0.512 408 V N 0.176 120.021 119.914 -0.116 0.000 2.255 408 V HA -0.306 3.846 4.120 0.054 0.000 0.247 408 V C 2.523 178.562 176.094 -0.092 0.000 1.051 408 V CA 2.619 64.872 62.300 -0.077 0.000 1.018 408 V CB -0.930 30.883 31.823 -0.017 0.000 0.641 408 V HN 0.655 nan 8.190 nan 0.000 0.445 409 c N -0.400 118.133 118.600 -0.111 0.000 2.466 409 c HA 0.016 4.618 4.570 0.054 0.000 0.278 409 c C 0.621 174.657 174.090 -0.090 0.000 1.288 409 c CA 0.848 57.145 56.329 -0.053 0.000 1.722 409 c CB -1.875 40.649 42.510 0.022 0.000 2.017 409 c HN 0.447 nan 8.230 nan 0.000 0.488 410 P HA -0.107 nan 4.420 nan 0.000 0.216 410 P C 1.782 179.002 177.300 -0.134 0.000 1.153 410 P CA 1.498 64.504 63.100 -0.158 0.000 0.858 410 P CB -0.172 31.404 31.700 -0.206 0.000 0.789 411 V N 0.008 119.845 119.914 -0.128 0.000 2.295 411 V HA -0.285 3.867 4.120 0.054 0.000 0.246 411 V C 2.452 178.426 176.094 -0.201 0.000 1.049 411 V CA 2.358 64.564 62.300 -0.156 0.000 1.024 411 V CB -1.708 30.020 31.823 -0.159 0.000 0.648 411 V HN 0.112 nan 8.190 nan 0.000 0.447 412 A N -0.846 121.872 122.820 -0.169 0.000 1.902 412 A HA -0.329 4.023 4.320 0.054 0.000 0.217 412 A C 2.242 179.775 177.584 -0.085 0.000 1.181 412 A CA 2.264 54.207 52.037 -0.157 0.000 0.623 412 A CB -0.587 18.386 19.000 -0.044 0.000 0.818 412 A HN 0.632 nan 8.150 nan 0.000 0.443 413 Q N -0.859 118.909 119.800 -0.054 0.000 2.030 413 Q HA -0.207 4.165 4.340 0.054 0.000 0.204 413 Q C 2.023 177.992 176.000 -0.052 0.000 0.986 413 Q CA 1.929 57.715 55.803 -0.027 0.000 0.843 413 Q CB -0.305 28.412 28.738 -0.035 0.000 0.904 413 Q HN 0.542 nan 8.270 nan 0.000 0.420 414 L N 0.617 121.777 121.223 -0.105 0.000 2.012 414 L HA -0.134 4.238 4.340 0.054 0.000 0.210 414 L C 2.285 179.071 176.870 -0.139 0.000 1.073 414 L CA 2.302 57.064 54.840 -0.130 0.000 0.748 414 L CB -0.923 41.043 42.059 -0.155 0.000 0.891 414 L HN 0.312 nan 8.230 nan 0.000 0.431 415 A N -0.452 122.243 122.820 -0.207 0.000 1.873 415 A HA -0.169 4.183 4.320 0.054 0.000 0.218 415 A C 2.345 179.934 177.584 0.009 0.000 1.193 415 A CA 1.994 53.854 52.037 -0.294 0.000 0.629 415 A CB -1.733 16.747 19.000 -0.866 0.000 0.826 415 A HN 0.561 nan 8.150 nan 0.000 0.447 416 G N -0.930 107.943 108.800 0.122 0.000 2.421 416 G HA2 -0.199 3.793 3.960 0.054 0.000 0.216 416 G HA3 -0.199 3.793 3.960 0.054 0.000 0.216 416 G C 1.666 176.649 174.900 0.139 0.000 1.171 416 G CA 0.842 46.102 45.100 0.266 0.000 0.775 416 G HN 0.389 nan 8.290 nan 0.000 0.543 417 R N 0.363 120.906 120.500 0.072 0.000 2.081 417 R HA 0.067 4.440 4.340 0.054 0.000 0.235 417 R C 2.679 179.035 176.300 0.093 0.000 1.131 417 R CA 0.654 56.800 56.100 0.077 0.000 0.960 417 R CB -1.235 29.100 30.300 0.057 0.000 0.856 417 R HN 0.423 nan 8.270 nan 0.000 0.436 418 L N 0.168 121.388 121.223 -0.006 0.000 2.046 418 L HA -0.121 4.251 4.340 0.054 0.000 0.208 418 L C 2.618 179.539 176.870 0.085 0.000 1.077 418 L CA 1.450 56.264 54.840 -0.045 0.000 0.747 418 L CB -0.750 41.185 42.059 -0.207 0.000 0.896 418 L HN 0.142 nan 8.230 nan 0.000 0.432 419 A N 0.235 123.115 122.820 0.100 0.000 1.877 419 A HA -0.156 4.196 4.320 0.054 0.000 0.216 419 A C 2.533 180.172 177.584 0.092 0.000 1.186 419 A CA 1.754 53.855 52.037 0.107 0.000 0.620 419 A CB -0.740 18.355 19.000 0.158 0.000 0.822 419 A HN 0.393 nan 8.150 nan 0.000 0.443 420 A N -1.238 121.643 122.820 0.101 0.000 2.019 420 A HA -0.114 4.238 4.320 0.054 0.000 0.219 420 A C 1.801 179.441 177.584 0.093 0.000 1.164 420 A CA 1.564 53.650 52.037 0.082 0.000 0.644 420 A CB -0.295 18.753 19.000 0.081 0.000 0.805 420 A HN 0.602 nan 8.150 nan 0.000 0.449 421 Q N -1.695 118.194 119.800 0.147 0.000 2.225 421 Q HA 0.399 4.771 4.340 0.054 0.000 0.259 421 Q C 0.872 176.971 176.000 0.166 0.000 0.872 421 Q CA 0.410 56.309 55.803 0.160 0.000 1.042 421 Q CB 0.407 29.286 28.738 0.236 0.000 1.142 421 Q HN 0.765 nan 8.270 nan 0.000 0.463 422 G N -0.199 108.674 108.800 0.122 0.000 2.234 422 G HA2 -0.307 3.685 3.960 0.054 0.000 0.235 422 G HA3 -0.307 3.685 3.960 0.054 0.000 0.235 422 G C 0.374 175.337 174.900 0.106 0.000 0.997 422 G CA -0.218 44.938 45.100 0.093 0.000 0.623 422 G HN 0.575 nan 8.290 nan 0.000 0.514 423 A N 0.712 123.623 122.820 0.151 0.000 2.511 423 A HA 0.565 4.917 4.320 0.054 0.000 0.242 423 A C 0.846 178.461 177.584 0.051 0.000 1.069 423 A CA 0.758 52.864 52.037 0.115 0.000 0.763 423 A CB 0.157 19.207 19.000 0.084 0.000 1.001 423 A HN 0.798 nan 8.150 nan 0.000 0.498 424 R N 2.259 122.783 120.500 0.039 0.000 2.316 424 R HA 0.424 4.796 4.340 0.054 0.000 0.314 424 R C -1.325 174.936 176.300 -0.064 0.000 1.069 424 R CA -0.014 56.067 56.100 -0.032 0.000 0.959 424 R CB 0.216 30.525 30.300 0.014 0.000 0.987 424 R HN 0.468 nan 8.270 nan 0.000 0.446 425 V N 5.961 125.750 119.914 -0.209 0.000 2.588 425 V HA 0.380 4.532 4.120 0.054 0.000 0.304 425 V C -1.245 174.600 176.094 -0.414 0.000 1.042 425 V CA -0.814 61.386 62.300 -0.167 0.000 0.877 425 V CB 1.678 33.497 31.823 -0.008 0.000 0.996 425 V HN 0.661 nan 8.190 nan 0.000 0.425 426 Y N 2.230 122.474 120.300 -0.092 0.000 2.364 426 Y HA 0.796 5.378 4.550 0.053 0.000 0.340 426 Y C 0.355 176.309 175.900 0.090 0.000 0.975 426 Y CA -0.532 57.487 58.100 -0.135 0.000 1.089 426 Y CB 2.168 40.140 38.460 -0.813 0.000 1.192 426 Y HN 0.772 nan 8.280 nan 0.000 0.454 427 A N 3.326 126.505 122.820 0.598 0.000 2.380 427 A HA 0.878 5.230 4.320 0.054 0.000 0.315 427 A C -1.729 176.297 177.584 0.736 0.000 1.101 427 A CA -0.676 51.615 52.037 0.423 0.000 0.771 427 A CB 0.977 20.045 19.000 0.114 0.000 1.287 427 A HN 0.756 nan 8.150 nan 0.000 0.436 428 Y N -0.782 119.800 120.300 0.469 0.000 2.615 428 Y HA 0.794 5.376 4.550 0.053 0.000 0.341 428 Y C -1.174 174.939 175.900 0.354 0.000 1.089 428 Y CA -1.638 56.697 58.100 0.392 0.000 1.049 428 Y CB 1.351 40.053 38.460 0.402 0.000 1.296 428 Y HN 0.695 nan 8.280 nan 0.000 0.470 429 I N 2.852 123.759 120.570 0.562 0.000 2.466 429 I HA 0.462 4.664 4.170 0.054 0.000 0.289 429 I C -1.925 174.547 176.117 0.591 0.000 1.026 429 I CA -0.983 60.602 61.300 0.475 0.000 1.078 429 I CB 1.098 39.323 38.000 0.375 0.000 1.249 429 I HN 0.723 nan 8.210 nan 0.000 0.429 430 F N 7.402 127.667 119.950 0.525 0.000 2.404 430 F HA 0.402 4.962 4.527 0.054 0.000 0.358 430 F C 0.624 176.606 175.800 0.303 0.000 1.120 430 F CA 0.128 58.383 58.000 0.424 0.000 1.144 430 F CB 0.909 40.179 39.000 0.450 0.000 1.133 430 F HN 0.562 nan 8.300 nan 0.000 0.495 431 E N 2.635 122.811 120.200 -0.040 0.000 2.562 431 E HA -0.032 4.351 4.350 0.054 0.000 0.214 431 E C -0.614 175.941 176.600 -0.076 0.000 0.979 431 E CA -0.163 56.256 56.400 0.031 0.000 1.002 431 E CB 0.236 29.949 29.700 0.022 0.000 1.048 431 E HN 0.502 nan 8.360 nan 0.000 0.488 432 H N 2.116 120.911 119.070 -0.458 0.000 2.800 432 H HA 0.156 4.744 4.556 0.053 0.000 0.291 432 H C -0.314 175.019 175.328 0.009 0.000 1.076 432 H CA -0.200 55.613 56.048 -0.392 0.000 1.452 432 H CB 0.316 29.600 29.762 -0.796 0.000 1.461 432 H HN -0.150 nan 8.280 nan 0.000 0.488 433 R N 4.271 124.473 120.500 -0.496 0.000 2.216 433 R HA 0.414 4.787 4.340 0.054 0.000 0.332 433 R C -0.461 175.554 176.300 -0.475 0.000 1.056 433 R CA -0.532 55.408 56.100 -0.266 0.000 0.901 433 R CB 0.223 30.468 30.300 -0.093 0.000 1.039 433 R HN 0.842 nan 8.270 nan 0.000 0.456 434 A N 3.187 126.021 122.820 0.024 0.000 2.567 434 A HA -0.035 4.318 4.320 0.054 0.000 0.240 434 A C 1.405 179.121 177.584 0.218 0.000 1.053 434 A CA 0.625 52.923 52.037 0.435 0.000 0.755 434 A CB 0.266 19.666 19.000 0.667 0.000 0.978 434 A HN 1.014 nan 8.150 nan 0.000 0.507 435 S N 1.795 117.676 115.700 0.300 0.000 2.399 435 S HA -0.177 4.326 4.470 0.054 0.000 0.231 435 S C 1.427 176.053 174.600 0.042 0.000 1.022 435 S CA 1.686 59.979 58.200 0.154 0.000 0.983 435 S CB -0.927 62.386 63.200 0.189 0.000 0.803 435 S HN 1.270 nan 8.310 nan 0.000 0.480 436 T N -0.560 113.987 114.554 -0.013 0.000 3.169 436 T HA 0.337 4.719 4.350 0.054 0.000 0.250 436 T C 0.332 174.965 174.700 -0.112 0.000 1.111 436 T CA -0.460 61.546 62.100 -0.156 0.000 1.010 436 T CB -0.589 68.022 68.868 -0.428 0.000 0.984 436 T HN 0.262 nan 8.240 nan 0.000 0.537 437 L N 3.861 125.065 121.223 -0.031 0.000 2.462 437 L HA 0.260 4.632 4.340 0.054 0.000 0.272 437 L C 1.548 178.363 176.870 -0.092 0.000 1.166 437 L CA 0.535 55.343 54.840 -0.053 0.000 0.880 437 L CB 0.770 42.818 42.059 -0.020 0.000 1.142 437 L HN 0.382 nan 8.230 nan 0.000 0.473 438 T N -0.066 114.375 114.554 -0.189 0.000 3.100 438 T HA 0.074 4.456 4.350 0.054 0.000 0.253 438 T C 0.347 175.016 174.700 -0.051 0.000 1.118 438 T CA -0.331 61.651 62.100 -0.196 0.000 1.058 438 T CB -0.353 68.239 68.868 -0.460 0.000 0.953 438 T HN 0.445 nan 8.240 nan 0.000 0.515 439 W N 3.172 124.465 121.300 -0.012 0.000 2.237 439 W HA 0.432 5.124 4.660 0.053 0.000 0.335 439 W C -2.115 174.293 176.519 -0.185 0.000 1.230 439 W CA -2.426 54.870 57.345 -0.081 0.000 1.253 439 W CB 0.292 29.609 29.460 -0.238 0.000 1.129 439 W HN -0.066 nan 8.180 nan 0.000 0.590 440 P HA 0.032 nan 4.420 nan 0.000 0.274 440 P C 0.558 177.773 177.300 -0.143 0.000 1.231 440 P CA 0.005 63.064 63.100 -0.068 0.000 0.790 440 P CB 0.949 32.640 31.700 -0.015 0.000 0.951 441 L N 0.986 122.204 121.223 -0.009 0.000 2.137 441 L HA -0.177 4.195 4.340 0.054 0.000 0.213 441 L C 2.533 179.434 176.870 0.050 0.000 1.085 441 L CA 1.673 56.527 54.840 0.024 0.000 0.760 441 L CB -0.960 41.142 42.059 0.072 0.000 0.893 441 L HN 0.619 nan 8.230 nan 0.000 0.434 442 W N -0.639 120.706 121.300 0.075 0.000 2.465 442 W HA -0.132 4.560 4.660 0.052 0.000 0.268 442 W C 1.713 178.295 176.519 0.105 0.000 1.242 442 W CA 0.492 57.886 57.345 0.082 0.000 1.248 442 W CB -0.732 28.780 29.460 0.087 0.000 1.118 442 W HN 0.176 nan 8.180 nan 0.000 0.587 443 M N 1.529 120.752 119.600 -0.629 0.000 2.659 443 M HA 0.117 4.629 4.480 0.054 0.000 0.243 443 M C 1.906 178.115 176.300 -0.152 0.000 1.111 443 M CA 1.172 56.104 55.300 -0.613 0.000 1.070 443 M CB -0.816 31.252 32.600 -0.886 0.000 1.525 443 M HN 0.171 nan 8.290 nan 0.000 0.517 444 G N 1.097 109.872 108.800 -0.040 0.000 2.698 444 G HA2 -0.313 3.679 3.960 0.054 0.000 0.337 444 G HA3 -0.313 3.679 3.960 0.054 0.000 0.337 444 G C 0.045 174.977 174.900 0.053 0.000 1.286 444 G CA 0.229 45.353 45.100 0.041 0.000 1.000 444 G HN 0.299 nan 8.290 nan 0.000 0.547 445 V N 3.711 123.705 119.914 0.134 0.000 2.288 445 V HA 0.448 4.600 4.120 0.054 0.000 0.266 445 V C -1.822 174.435 176.094 0.272 0.000 1.048 445 V CA -0.892 61.547 62.300 0.231 0.000 0.842 445 V CB 1.165 33.184 31.823 0.327 0.000 1.064 445 V HN 0.493 nan 8.190 nan 0.000 0.472 446 P HA 0.199 nan 4.420 nan 0.000 0.276 446 P C -0.163 177.434 177.300 0.495 0.000 1.244 446 P CA -0.615 62.684 63.100 0.330 0.000 0.801 446 P CB 0.351 32.172 31.700 0.200 0.000 1.006 447 H N 1.097 120.317 119.070 0.249 0.000 3.232 447 H HA 0.102 4.691 4.556 0.053 0.000 0.276 447 H C 1.677 176.955 175.328 -0.084 0.000 0.882 447 H CA 2.412 58.516 56.048 0.093 0.000 1.415 447 H CB -0.878 28.891 29.762 0.012 0.000 1.405 447 H HN 0.764 nan 8.280 nan 0.000 0.543 448 G N 3.629 112.290 108.800 -0.232 0.000 2.232 448 G HA2 -0.299 3.693 3.960 0.054 0.000 0.226 448 G HA3 -0.299 3.693 3.960 0.054 0.000 0.226 448 G C 0.644 175.475 174.900 -0.116 0.000 0.996 448 G CA 0.246 45.144 45.100 -0.337 0.000 0.626 448 G HN 0.626 nan 8.290 nan 0.000 0.509 449 Y N 1.838 122.299 120.300 0.269 0.000 2.496 449 Y HA 0.287 4.869 4.550 0.054 0.000 0.313 449 Y C 2.204 178.239 175.900 0.226 0.000 1.184 449 Y CA 0.888 59.179 58.100 0.318 0.000 1.275 449 Y CB 0.388 39.074 38.460 0.377 0.000 1.103 449 Y HN 0.513 nan 8.280 nan 0.000 0.513 450 E N -0.256 119.917 120.200 -0.044 0.000 2.413 450 E HA -0.017 4.365 4.350 0.054 0.000 0.203 450 E C 1.552 178.016 176.600 -0.227 0.000 0.957 450 E CA 0.446 56.459 56.400 -0.643 0.000 0.950 450 E CB -0.415 28.462 29.700 -1.373 0.000 0.957 450 E HN 0.535 nan 8.360 nan 0.000 0.497 451 I N 3.145 123.688 120.570 -0.044 0.000 2.118 451 I HA -0.335 3.867 4.170 0.054 0.000 0.241 451 I C 2.732 178.829 176.117 -0.032 0.000 1.070 451 I CA 2.296 63.613 61.300 0.028 0.000 1.327 451 I CB -0.591 37.505 38.000 0.159 0.000 1.034 451 I HN 0.206 nan 8.210 nan 0.000 0.405 452 E N 1.214 121.334 120.200 -0.134 0.000 2.171 452 E HA -0.259 4.123 4.350 0.054 0.000 0.197 452 E C 2.081 178.391 176.600 -0.484 0.000 0.997 452 E CA 1.676 57.883 56.400 -0.322 0.000 0.810 452 E CB -0.633 28.850 29.700 -0.361 0.000 0.738 452 E HN 0.466 nan 8.360 nan 0.000 0.467 453 F N 1.380 121.185 119.950 -0.241 0.000 2.098 453 F HA -0.064 4.495 4.527 0.054 0.000 0.294 453 F C 2.461 178.007 175.800 -0.422 0.000 1.107 453 F CA 0.593 58.392 58.000 -0.336 0.000 1.234 453 F CB -0.306 38.569 39.000 -0.208 0.000 1.002 453 F HN -0.060 nan 8.300 nan 0.000 0.472 454 I N -0.411 119.968 120.570 -0.317 0.000 2.151 454 I HA -0.325 3.877 4.170 0.054 0.000 0.243 454 I C 2.303 178.152 176.117 -0.447 0.000 1.080 454 I CA 1.771 62.705 61.300 -0.610 0.000 1.339 454 I CB -1.649 35.828 38.000 -0.871 0.000 1.039 454 I HN 0.088 nan 8.210 nan 0.000 0.409 455 F N 0.855 120.614 119.950 -0.319 0.000 2.502 455 F HA 0.113 4.672 4.527 0.053 0.000 0.298 455 F C 1.922 177.607 175.800 -0.193 0.000 1.111 455 F CA 1.163 59.030 58.000 -0.222 0.000 1.445 455 F CB -0.277 38.570 39.000 -0.254 0.000 1.081 455 F HN 0.332 nan 8.300 nan 0.000 0.558 456 G N -0.345 108.313 108.800 -0.236 0.000 2.140 456 G HA2 -0.254 3.738 3.960 0.054 0.000 0.211 456 G HA3 -0.254 3.738 3.960 0.054 0.000 0.211 456 G C 0.827 175.131 174.900 -0.993 0.000 1.013 456 G CA 0.188 45.034 45.100 -0.424 0.000 0.705 456 G HN 0.257 nan 8.290 nan 0.000 0.508 457 L N 0.366 121.035 121.223 -0.923 0.000 2.093 457 L HA 0.108 4.481 4.340 0.054 0.000 0.208 457 L C 0.367 176.740 176.870 -0.827 0.000 1.085 457 L CA 2.439 56.670 54.840 -1.016 0.000 0.755 457 L CB -0.923 40.838 42.059 -0.496 0.000 0.904 457 L HN 0.158 nan 8.230 nan 0.000 0.435 458 P HA -0.178 nan 4.420 nan 0.000 0.221 458 P C 1.559 178.669 177.300 -0.316 0.000 1.141 458 P CA 1.087 63.774 63.100 -0.687 0.000 0.794 458 P CB 0.021 31.307 31.700 -0.691 0.000 0.764 459 L N -1.522 119.425 121.223 -0.461 0.000 2.478 459 L HA -0.007 4.366 4.340 0.054 0.000 0.223 459 L C 0.890 177.687 176.870 -0.123 0.000 1.140 459 L CA 0.964 55.651 54.840 -0.255 0.000 0.842 459 L CB -0.844 41.085 42.059 -0.217 0.000 0.953 459 L HN -0.086 nan 8.230 nan 0.000 0.452 460 D N -0.300 119.989 120.400 -0.186 0.000 2.365 460 D HA 0.112 4.784 4.640 0.054 0.000 0.237 460 D C -1.686 174.639 176.300 0.041 0.000 1.190 460 D CA -2.263 51.767 54.000 0.050 0.000 0.867 460 D CB 1.395 42.278 40.800 0.139 0.000 1.050 460 D HN -0.078 nan 8.370 nan 0.000 0.491 461 P HA -0.158 nan 4.420 nan 0.000 0.216 461 P C 1.283 178.600 177.300 0.027 0.000 1.150 461 P CA 1.080 64.203 63.100 0.037 0.000 0.837 461 P CB 0.037 31.755 31.700 0.030 0.000 0.786 462 S N -1.347 114.367 115.700 0.024 0.000 2.537 462 S HA -0.075 4.428 4.470 0.054 0.000 0.240 462 S C 1.591 176.176 174.600 -0.024 0.000 0.981 462 S CA 0.763 58.964 58.200 0.000 0.000 0.948 462 S CB -1.383 61.819 63.200 0.004 0.000 0.759 462 S HN 0.109 nan 8.310 nan 0.000 0.531 463 L N 0.228 121.444 121.223 -0.011 0.000 2.567 463 L HA 0.257 4.629 4.340 0.054 0.000 0.225 463 L C 0.331 177.070 176.870 -0.217 0.000 1.119 463 L CA 0.011 54.801 54.840 -0.084 0.000 0.871 463 L CB -0.415 41.653 42.059 0.014 0.000 1.036 463 L HN 0.232 nan 8.230 nan 0.000 0.459 464 N N -2.419 116.216 118.700 -0.109 0.000 2.901 464 N HA -0.224 4.549 4.740 0.054 0.000 0.248 464 N C -0.531 174.907 175.510 -0.119 0.000 1.044 464 N CA 0.715 53.694 53.050 -0.119 0.000 0.847 464 N CB -1.863 36.530 38.487 -0.157 0.000 1.127 464 N HN 0.210 nan 8.380 nan 0.000 0.562 465 Y N 1.210 121.500 120.300 -0.017 0.000 2.397 465 Y HA 0.175 4.756 4.550 0.053 0.000 0.335 465 Y C 1.914 177.846 175.900 0.053 0.000 1.213 465 Y CA 0.158 58.279 58.100 0.034 0.000 1.391 465 Y CB 0.419 38.884 38.460 0.009 0.000 1.293 465 Y HN 0.113 nan 8.280 nan 0.000 0.557 466 T N -2.305 112.406 114.554 0.262 0.000 2.795 466 T HA 0.010 4.392 4.350 0.054 0.000 0.314 466 T C 1.301 176.086 174.700 0.141 0.000 1.069 466 T CA -0.049 62.148 62.100 0.162 0.000 1.071 466 T CB 0.753 69.708 68.868 0.145 0.000 0.988 466 T HN 0.817 nan 8.240 nan 0.000 0.543 467 T N -1.123 113.481 114.554 0.084 0.000 2.951 467 T HA -0.037 4.345 4.350 0.054 0.000 0.268 467 T C 1.451 176.182 174.700 0.052 0.000 1.073 467 T CA 0.959 63.096 62.100 0.061 0.000 1.134 467 T CB -0.470 68.420 68.868 0.037 0.000 0.884 467 T HN 0.741 nan 8.240 nan 0.000 0.479 468 E N 1.730 121.955 120.200 0.043 0.000 2.110 468 E HA -0.077 4.305 4.350 0.054 0.000 0.193 468 E C 2.269 178.884 176.600 0.024 0.000 0.988 468 E CA 1.289 57.690 56.400 0.001 0.000 0.804 468 E CB -0.257 29.418 29.700 -0.043 0.000 0.745 468 E HN 0.679 nan 8.360 nan 0.000 0.458 469 E N 0.390 120.655 120.200 0.109 0.000 2.072 469 E HA -0.150 4.232 4.350 0.054 0.000 0.191 469 E C 2.156 178.884 176.600 0.213 0.000 0.985 469 E CA 0.632 57.189 56.400 0.261 0.000 0.801 469 E CB -0.068 29.935 29.700 0.505 0.000 0.750 469 E HN 0.104 nan 8.360 nan 0.000 0.452 470 R N 0.945 121.509 120.500 0.106 0.000 2.091 470 R HA -0.177 4.195 4.340 0.054 0.000 0.238 470 R C 2.195 178.505 176.300 0.017 0.000 1.136 470 R CA 1.351 57.460 56.100 0.016 0.000 0.959 470 R CB -0.231 30.076 30.300 0.013 0.000 0.856 470 R HN 0.160 nan 8.270 nan 0.000 0.437 471 I N 0.140 120.739 120.570 0.047 0.000 2.252 471 I HA -0.242 3.961 4.170 0.054 0.000 0.245 471 I C 2.136 178.296 176.117 0.071 0.000 1.102 471 I CA 0.774 62.095 61.300 0.035 0.000 1.385 471 I CB -0.289 37.727 38.000 0.026 0.000 1.064 471 I HN 0.181 nan 8.210 nan 0.000 0.414 472 F N 1.988 121.884 119.950 -0.089 0.000 2.075 472 F HA -0.214 4.346 4.527 0.055 0.000 0.297 472 F C 2.475 178.248 175.800 -0.044 0.000 1.113 472 F CA 1.311 59.242 58.000 -0.116 0.000 1.218 472 F CB -0.798 38.056 39.000 -0.244 0.000 0.984 472 F HN 0.023 nan 8.300 nan 0.000 0.472 473 A N 0.126 122.901 122.820 -0.075 0.000 1.917 473 A HA -0.274 4.078 4.320 0.054 0.000 0.219 473 A C 2.165 179.629 177.584 -0.200 0.000 1.182 473 A CA 2.031 53.960 52.037 -0.180 0.000 0.633 473 A CB -0.941 17.964 19.000 -0.157 0.000 0.819 473 A HN 0.642 nan 8.150 nan 0.000 0.448 474 Q N -0.936 118.787 119.800 -0.129 0.000 2.119 474 Q HA -0.153 4.220 4.340 0.054 0.000 0.201 474 Q C 2.383 178.283 176.000 -0.166 0.000 0.972 474 Q CA 1.390 57.122 55.803 -0.117 0.000 0.847 474 Q CB -0.174 28.522 28.738 -0.069 0.000 0.903 474 Q HN 0.643 nan 8.270 nan 0.000 0.433 475 R N 0.364 120.750 120.500 -0.191 0.000 2.073 475 R HA -0.106 4.266 4.340 0.054 0.000 0.234 475 R C 2.336 178.318 176.300 -0.531 0.000 1.134 475 R CA 1.165 57.050 56.100 -0.359 0.000 0.952 475 R CB -0.315 29.858 30.300 -0.211 0.000 0.850 475 R HN 0.241 nan 8.270 nan 0.000 0.433 476 L N 0.009 121.046 121.223 -0.311 0.000 2.056 476 L HA -0.137 4.235 4.340 0.054 0.000 0.207 476 L C 2.506 179.353 176.870 -0.038 0.000 1.078 476 L CA 1.226 56.003 54.840 -0.105 0.000 0.749 476 L CB -0.335 41.501 42.059 -0.372 0.000 0.901 476 L HN 0.237 nan 8.230 nan 0.000 0.433 477 M N -0.774 118.733 119.600 -0.155 0.000 2.213 477 M HA -0.174 4.338 4.480 0.054 0.000 0.263 477 M C 2.287 178.591 176.300 0.007 0.000 1.062 477 M CA 1.432 56.676 55.300 -0.092 0.000 1.105 477 M CB -0.229 32.300 32.600 -0.117 0.000 1.385 477 M HN 0.065 nan 8.290 nan 0.000 0.417 478 K N -0.154 120.209 120.400 -0.061 0.000 2.025 478 K HA -0.121 4.231 4.320 0.054 0.000 0.207 478 K C 1.890 178.553 176.600 0.103 0.000 1.049 478 K CA 1.619 57.880 56.287 -0.043 0.000 0.933 478 K CB -0.271 32.134 32.500 -0.158 0.000 0.714 478 K HN 0.301 nan 8.250 nan 0.000 0.438 479 Y N -0.245 120.201 120.300 0.243 0.000 2.114 479 Y HA -0.224 4.358 4.550 0.053 0.000 0.284 479 Y C 2.446 178.492 175.900 0.243 0.000 1.143 479 Y CA 0.755 59.032 58.100 0.294 0.000 1.135 479 Y CB -0.894 37.904 38.460 0.564 0.000 0.980 479 Y HN 0.215 nan 8.280 nan 0.000 0.499 480 W N 0.669 122.062 121.300 0.155 0.000 2.335 480 W HA -0.239 4.453 4.660 0.053 0.000 0.311 480 W C 2.462 178.989 176.519 0.013 0.000 1.213 480 W CA 2.340 59.705 57.345 0.033 0.000 1.274 480 W CB -0.622 28.768 29.460 -0.117 0.000 1.148 480 W HN 0.246 nan 8.180 nan 0.000 0.498 481 T N -2.470 112.195 114.554 0.185 0.000 2.942 481 T HA -0.102 4.280 4.350 0.054 0.000 0.265 481 T C 1.424 176.151 174.700 0.045 0.000 1.062 481 T CA 1.020 63.157 62.100 0.062 0.000 1.139 481 T CB -0.563 68.322 68.868 0.029 0.000 0.883 481 T HN -0.077 nan 8.240 nan 0.000 0.468 482 N N 0.957 119.705 118.700 0.079 0.000 2.120 482 N HA 0.007 4.779 4.740 0.054 0.000 0.188 482 N C 1.395 176.897 175.510 -0.012 0.000 1.024 482 N CA 0.942 54.014 53.050 0.037 0.000 0.852 482 N CB -0.664 37.866 38.487 0.072 0.000 1.003 482 N HN 0.443 nan 8.380 nan 0.000 0.424 483 F N 1.896 121.762 119.950 -0.141 0.000 2.095 483 F HA -0.157 4.403 4.527 0.054 0.000 0.298 483 F C 2.203 177.922 175.800 -0.135 0.000 1.104 483 F CA 1.492 59.354 58.000 -0.230 0.000 1.232 483 F CB -0.539 38.232 39.000 -0.382 0.000 0.987 483 F HN 0.040 nan 8.300 nan 0.000 0.475 484 A N 0.521 123.259 122.820 -0.137 0.000 1.908 484 A HA -0.207 4.145 4.320 0.054 0.000 0.218 484 A C 2.365 179.835 177.584 -0.190 0.000 1.181 484 A CA 1.871 53.804 52.037 -0.174 0.000 0.627 484 A CB -0.765 18.205 19.000 -0.050 0.000 0.818 484 A HN 0.474 nan 8.150 nan 0.000 0.445 485 R N -1.234 119.188 120.500 -0.130 0.000 2.075 485 R HA -0.081 4.292 4.340 0.054 0.000 0.232 485 R C 1.944 178.160 176.300 -0.139 0.000 1.126 485 R CA 1.873 57.913 56.100 -0.101 0.000 0.963 485 R CB -0.200 30.067 30.300 -0.055 0.000 0.858 485 R HN 0.745 nan 8.270 nan 0.000 0.435 486 T N -5.876 108.565 114.554 -0.187 0.000 3.009 486 T HA 0.237 4.620 4.350 0.054 0.000 0.267 486 T C 1.183 175.756 174.700 -0.213 0.000 0.942 486 T CA 0.368 62.374 62.100 -0.156 0.000 0.883 486 T CB 1.324 70.135 68.868 -0.095 0.000 1.192 486 T HN 0.317 nan 8.240 nan 0.000 0.524 487 G N 1.390 109.931 108.800 -0.431 0.000 2.162 487 G HA2 -0.195 3.797 3.960 0.054 0.000 0.260 487 G HA3 -0.195 3.797 3.960 0.054 0.000 0.260 487 G C -0.317 174.492 174.900 -0.152 0.000 0.976 487 G CA 0.307 45.082 45.100 -0.541 0.000 0.655 487 G HN 0.788 nan 8.290 nan 0.000 0.533 488 D N -0.385 119.920 120.400 -0.158 0.000 2.696 488 D HA 0.466 5.138 4.640 0.054 0.000 0.251 488 D C -1.722 174.406 176.300 -0.287 0.000 1.188 488 D CA -1.758 52.110 54.000 -0.219 0.000 0.876 488 D CB 2.224 42.986 40.800 -0.063 0.000 1.334 488 D HN 0.031 nan 8.370 nan 0.000 0.540 489 P HA 0.039 nan 4.420 nan 0.000 0.249 489 P C -0.055 177.258 177.300 0.021 0.000 1.229 489 P CA -0.093 62.828 63.100 -0.299 0.000 0.788 489 P CB 0.379 31.582 31.700 -0.829 0.000 1.072 490 N N 1.459 120.133 118.700 -0.042 0.000 2.530 490 N HA 0.049 4.821 4.740 0.054 0.000 0.273 490 N C -0.162 175.430 175.510 0.136 0.000 1.173 490 N CA 0.199 53.336 53.050 0.145 0.000 0.967 490 N CB 0.604 39.160 38.487 0.116 0.000 1.109 490 N HN -0.042 nan 8.380 nan 0.000 0.453 491 D N 1.961 122.467 120.400 0.176 0.000 2.339 491 D HA 0.175 4.848 4.640 0.054 0.000 0.241 491 D C -1.505 174.845 176.300 0.083 0.000 1.183 491 D CA -1.922 52.145 54.000 0.112 0.000 0.859 491 D CB 1.279 42.141 40.800 0.102 0.000 1.067 491 D HN 0.261 nan 8.370 nan 0.000 0.484 492 P HA -0.082 nan 4.420 nan 0.000 0.216 492 P C 0.920 178.246 177.300 0.042 0.000 1.153 492 P CA 0.955 64.083 63.100 0.047 0.000 0.844 492 P CB 0.073 31.793 31.700 0.033 0.000 0.787 493 R N 0.464 120.986 120.500 0.036 0.000 2.845 493 R HA 0.022 4.394 4.340 0.054 0.000 0.220 493 R C 0.409 176.732 176.300 0.037 0.000 1.528 493 R CA 0.864 56.983 56.100 0.031 0.000 1.374 493 R CB -2.013 28.302 30.300 0.024 0.000 1.104 493 R HN 0.269 nan 8.270 nan 0.000 0.510 494 D N -1.821 118.608 120.400 0.048 0.000 2.623 494 D HA 0.410 5.082 4.640 0.054 0.000 0.241 494 D C -1.496 174.842 176.300 0.063 0.000 1.241 494 D CA -0.197 53.837 54.000 0.055 0.000 0.788 494 D CB 2.378 43.218 40.800 0.066 0.000 1.413 494 D HN 0.131 nan 8.370 nan 0.000 0.429 495 S N 0.617 116.354 115.700 0.061 0.000 2.557 495 S HA 0.272 4.775 4.470 0.054 0.000 0.291 495 S C -0.393 174.246 174.600 0.066 0.000 1.116 495 S CA -0.923 57.313 58.200 0.061 0.000 0.992 495 S CB 1.847 65.076 63.200 0.047 0.000 1.028 495 S HN 0.552 nan 8.310 nan 0.000 0.484 496 K N -0.035 120.409 120.400 0.074 0.000 3.003 496 K HA -0.213 4.139 4.320 0.054 0.000 0.257 496 K C -0.052 176.587 176.600 0.065 0.000 0.958 496 K CA 1.314 57.642 56.287 0.068 0.000 0.707 496 K CB -2.715 29.816 32.500 0.053 0.000 1.279 496 K HN 0.546 nan 8.250 nan 0.000 0.479 497 S N -1.200 114.548 115.700 0.080 0.000 2.481 497 S HA 0.333 4.835 4.470 0.054 0.000 0.243 497 S C -1.880 172.769 174.600 0.082 0.000 1.152 497 S CA -0.955 57.289 58.200 0.073 0.000 1.168 497 S CB 0.511 63.752 63.200 0.068 0.000 0.835 497 S HN 0.350 nan 8.310 nan 0.000 0.474 498 P HA 0.410 nan 4.420 nan 0.000 0.336 498 P C -0.611 176.758 177.300 0.114 0.000 1.288 498 P CA -0.670 62.476 63.100 0.076 0.000 0.766 498 P CB 0.561 32.289 31.700 0.047 0.000 1.461 499 Q N -0.753 119.120 119.800 0.122 0.000 2.261 499 Q HA 0.148 4.520 4.340 0.054 0.000 0.252 499 Q C -0.781 175.363 176.000 0.241 0.000 0.915 499 Q CA -0.039 55.872 55.803 0.180 0.000 0.915 499 Q CB 0.539 29.374 28.738 0.161 0.000 1.204 499 Q HN 0.502 nan 8.270 nan 0.000 0.421 500 W N 6.660 128.004 121.300 0.072 0.000 2.481 500 W HA 0.261 4.955 4.660 0.056 0.000 0.320 500 W C -2.437 174.218 176.519 0.226 0.000 1.209 500 W CA -2.339 55.060 57.345 0.090 0.000 1.400 500 W CB 0.231 29.674 29.460 -0.027 0.000 1.361 500 W HN 0.387 nan 8.180 nan 0.000 0.456 501 P HA 0.285 nan 4.420 nan 0.000 0.281 501 P C -2.625 174.901 177.300 0.376 0.000 1.249 501 P CA -2.006 61.335 63.100 0.401 0.000 0.810 501 P CB 0.568 32.408 31.700 0.233 0.000 1.008 502 P HA -0.028 nan 4.420 nan 0.000 0.264 502 P C -0.526 176.765 177.300 -0.014 0.000 1.183 502 P CA 0.316 63.226 63.100 -0.318 0.000 0.763 502 P CB -0.127 31.391 31.700 -0.304 0.000 0.807 503 Y N 4.147 124.403 120.300 -0.074 0.000 2.544 503 Y HA 0.211 4.793 4.550 0.053 0.000 0.330 503 Y C 0.613 176.503 175.900 -0.017 0.000 1.136 503 Y CA 0.707 58.829 58.100 0.036 0.000 1.417 503 Y CB 0.087 38.588 38.460 0.069 0.000 1.229 503 Y HN 0.398 nan 8.280 nan 0.000 0.532 504 T N 0.273 114.560 114.554 -0.446 0.000 2.926 504 T HA 0.310 4.692 4.350 0.054 0.000 0.289 504 T C 0.897 175.307 174.700 -0.483 0.000 1.054 504 T CA -0.198 61.725 62.100 -0.296 0.000 1.015 504 T CB 1.374 70.148 68.868 -0.156 0.000 1.167 504 T HN 0.599 nan 8.240 nan 0.000 0.526 505 T N -0.993 113.442 114.554 -0.199 0.000 2.942 505 T HA 0.160 4.543 4.350 0.054 0.000 0.265 505 T C 2.203 176.836 174.700 -0.112 0.000 1.062 505 T CA 0.636 62.663 62.100 -0.122 0.000 1.139 505 T CB -0.691 68.174 68.868 -0.005 0.000 0.883 505 T HN 0.814 nan 8.240 nan 0.000 0.468 506 A N 2.254 125.017 122.820 -0.096 0.000 1.821 506 A HA 0.451 4.803 4.320 0.054 0.000 0.215 506 A C 2.783 180.320 177.584 -0.079 0.000 1.214 506 A CA 1.578 53.578 52.037 -0.061 0.000 0.608 506 A CB -1.467 17.508 19.000 -0.041 0.000 0.862 506 A HN 0.623 nan 8.150 nan 0.000 0.448 507 A N -1.936 120.823 122.820 -0.102 0.000 1.968 507 A HA 0.027 4.379 4.320 0.054 0.000 0.217 507 A C 1.138 178.655 177.584 -0.112 0.000 1.169 507 A CA 1.330 53.320 52.037 -0.078 0.000 0.638 507 A CB -0.543 18.424 19.000 -0.054 0.000 0.812 507 A HN 0.663 nan 8.150 nan 0.000 0.446 508 Q N -0.791 118.822 119.800 -0.312 0.000 2.457 508 Q HA -0.224 4.148 4.340 0.054 0.000 0.283 508 Q C -0.685 175.326 176.000 0.019 0.000 1.234 508 Q CA 0.728 56.256 55.803 -0.459 0.000 0.877 508 Q CB -1.778 26.899 28.738 -0.101 0.000 1.250 508 Q HN 0.855 nan 8.270 nan 0.000 0.481 509 Q N 0.370 120.187 119.800 0.028 0.000 2.288 509 Q HA 0.485 4.857 4.340 0.054 0.000 0.254 509 Q C -0.409 175.888 176.000 0.495 0.000 0.932 509 Q CA -0.026 55.905 55.803 0.213 0.000 0.902 509 Q CB 0.612 29.419 28.738 0.114 0.000 1.203 509 Q HN 0.333 nan 8.270 nan 0.000 0.415 510 Y N -1.764 118.692 120.300 0.260 0.000 2.625 510 Y HA 0.681 5.262 4.550 0.052 0.000 0.338 510 Y C -1.111 174.824 175.900 0.058 0.000 1.123 510 Y CA -1.574 56.691 58.100 0.274 0.000 1.046 510 Y CB 0.476 39.097 38.460 0.270 0.000 1.299 510 Y HN 0.358 nan 8.280 nan 0.000 0.464 511 V N -0.166 119.660 119.914 -0.146 0.000 2.769 511 V HA 0.822 4.974 4.120 0.054 0.000 0.312 511 V C -0.134 175.859 176.094 -0.168 0.000 1.058 511 V CA -0.568 61.476 62.300 -0.427 0.000 0.952 511 V CB 1.265 32.526 31.823 -0.937 0.000 1.019 511 V HN 1.137 nan 8.190 nan 0.000 0.445 512 S N 4.108 119.711 115.700 -0.163 0.000 2.499 512 S HA 0.644 5.146 4.470 0.054 0.000 0.275 512 S C -0.389 174.167 174.600 -0.073 0.000 1.257 512 S CA -0.649 57.538 58.200 -0.021 0.000 1.050 512 S CB 0.401 63.581 63.200 -0.034 0.000 0.937 512 S HN 0.730 nan 8.310 nan 0.000 0.490 513 L N 4.270 125.513 121.223 0.033 0.000 2.255 513 L HA 0.503 4.875 4.340 0.054 0.000 0.289 513 L C -0.017 176.764 176.870 -0.147 0.000 1.046 513 L CA -0.387 54.494 54.840 0.069 0.000 0.816 513 L CB -0.062 42.147 42.059 0.249 0.000 1.197 513 L HN 0.941 nan 8.230 nan 0.000 0.427 514 N N 2.260 120.779 118.700 -0.302 0.000 3.449 514 N HA 0.307 5.079 4.740 0.054 0.000 0.312 514 N C 0.162 175.014 175.510 -1.097 0.000 1.582 514 N CA -0.933 51.617 53.050 -0.833 0.000 0.850 514 N CB 0.550 38.779 38.487 -0.430 0.000 1.822 514 N HN 0.190 nan 8.380 nan 0.000 0.577 515 L N -0.546 120.109 121.223 -0.947 0.000 2.141 515 L HA 0.084 4.457 4.340 0.054 0.000 0.209 515 L C 0.683 177.345 176.870 -0.347 0.000 1.094 515 L CA 0.941 55.352 54.840 -0.714 0.000 0.763 515 L CB -0.521 41.218 42.059 -0.533 0.000 0.908 515 L HN 0.386 nan 8.230 nan 0.000 0.437 516 K N 0.406 120.652 120.400 -0.257 0.000 2.187 516 K HA 0.186 4.538 4.320 0.054 0.000 0.247 516 K C -2.164 174.379 176.600 -0.095 0.000 1.019 516 K CA -1.753 54.450 56.287 -0.140 0.000 0.893 516 K CB -0.463 31.971 32.500 -0.110 0.000 1.025 516 K HN -0.173 nan 8.250 nan 0.000 0.500 517 P HA -0.025 nan 4.420 nan 0.000 0.270 517 P C -0.292 176.998 177.300 -0.016 0.000 1.227 517 P CA -0.135 62.966 63.100 0.001 0.000 0.788 517 P CB 0.332 32.038 31.700 0.010 0.000 0.926 518 L N 0.875 122.104 121.223 0.010 0.000 2.615 518 L HA -0.069 4.303 4.340 0.054 0.000 0.284 518 L C 1.104 177.921 176.870 -0.089 0.000 1.237 518 L CA 0.873 55.665 54.840 -0.080 0.000 0.905 518 L CB -0.360 41.633 42.059 -0.110 0.000 1.149 518 L HN 0.489 nan 8.230 nan 0.000 0.499 519 E N 3.066 123.186 120.200 -0.133 0.000 2.176 519 E HA 0.396 4.778 4.350 0.054 0.000 0.267 519 E C -1.323 175.165 176.600 -0.186 0.000 0.893 519 E CA -0.800 55.526 56.400 -0.122 0.000 0.761 519 E CB 1.877 31.514 29.700 -0.105 0.000 1.133 519 E HN 0.313 nan 8.360 nan 0.000 0.409 520 V N 5.061 124.883 119.914 -0.153 0.000 2.461 520 V HA 0.369 4.521 4.120 0.054 0.000 0.275 520 V C 0.393 176.339 176.094 -0.246 0.000 1.047 520 V CA -0.173 62.014 62.300 -0.189 0.000 0.955 520 V CB 0.915 32.690 31.823 -0.080 0.000 0.988 520 V HN 0.694 nan 8.190 nan 0.000 0.471 521 R N 3.597 123.812 120.500 -0.476 0.000 2.873 521 R HA 0.738 5.110 4.340 0.054 0.000 0.264 521 R C -0.671 175.424 176.300 -0.341 0.000 1.026 521 R CA -0.971 54.831 56.100 -0.497 0.000 1.002 521 R CB 2.249 32.046 30.300 -0.839 0.000 1.174 521 R HN 0.606 nan 8.270 nan 0.000 0.488 522 R N -0.052 120.440 120.500 -0.013 0.000 2.561 522 R HA 0.475 4.847 4.340 0.054 0.000 0.297 522 R C -0.993 175.509 176.300 0.337 0.000 0.969 522 R CA -0.431 55.769 56.100 0.166 0.000 0.879 522 R CB 2.235 32.583 30.300 0.079 0.000 1.178 522 R HN 0.886 nan 8.270 nan 0.000 0.445 523 G N 2.474 111.529 108.800 0.424 0.000 3.439 523 G HA2 -0.190 3.802 3.960 0.054 0.000 0.684 523 G HA3 -0.190 3.802 3.960 0.054 0.000 0.684 523 G C -1.250 173.842 174.900 0.320 0.000 1.005 523 G CA -0.928 44.364 45.100 0.319 0.000 0.837 523 G HN 0.362 nan 8.290 nan 0.000 0.470 524 L N 4.535 125.831 121.223 0.121 0.000 2.328 524 L HA 0.544 4.916 4.340 0.054 0.000 0.280 524 L C 1.502 178.371 176.870 -0.001 0.000 1.111 524 L CA -0.622 54.102 54.840 -0.194 0.000 0.909 524 L CB -0.430 41.424 42.059 -0.342 0.000 1.277 524 L HN 0.697 nan 8.230 nan 0.000 0.433 525 R N 2.934 123.479 120.500 0.076 0.000 3.188 525 R HA -0.264 4.108 4.340 0.054 0.000 0.247 525 R C 1.228 177.627 176.300 0.166 0.000 0.918 525 R CA 0.704 56.892 56.100 0.147 0.000 0.629 525 R CB -2.098 28.305 30.300 0.171 0.000 1.087 525 R HN 0.737 nan 8.270 nan 0.000 0.462 526 A N 0.665 123.580 122.820 0.158 0.000 1.877 526 A HA -0.226 4.127 4.320 0.054 0.000 0.216 526 A C 2.080 179.759 177.584 0.158 0.000 1.186 526 A CA 1.139 53.269 52.037 0.154 0.000 0.620 526 A CB -0.072 19.015 19.000 0.144 0.000 0.822 526 A HN 0.403 nan 8.150 nan 0.000 0.443 527 Q N -0.584 119.309 119.800 0.154 0.000 2.016 527 Q HA -0.111 4.262 4.340 0.054 0.000 0.200 527 Q C 2.269 178.392 176.000 0.204 0.000 0.978 527 Q CA 2.139 58.034 55.803 0.154 0.000 0.833 527 Q CB -1.234 27.581 28.738 0.128 0.000 0.895 527 Q HN 0.633 nan 8.270 nan 0.000 0.427 528 T N 0.649 115.351 114.554 0.248 0.000 2.777 528 T HA -0.120 4.262 4.350 0.054 0.000 0.266 528 T C 2.052 176.978 174.700 0.376 0.000 1.040 528 T CA 1.202 63.482 62.100 0.300 0.000 1.141 528 T CB -0.293 68.813 68.868 0.398 0.000 0.868 528 T HN 0.315 nan 8.240 nan 0.000 0.444 529 c N 1.570 120.376 118.600 0.343 0.000 2.435 529 c HA 0.154 4.756 4.570 0.054 0.000 0.279 529 c C 3.142 177.391 174.090 0.265 0.000 1.321 529 c CA 0.107 56.642 56.329 0.343 0.000 1.752 529 c CB -1.419 41.222 42.510 0.218 0.000 1.959 529 c HN 0.647 nan 8.230 nan 0.000 0.500 530 A N 0.417 123.359 122.820 0.205 0.000 1.892 530 A HA -0.250 4.103 4.320 0.054 0.000 0.218 530 A C 1.909 179.591 177.584 0.163 0.000 1.188 530 A CA 1.959 54.093 52.037 0.161 0.000 0.631 530 A CB -0.913 18.171 19.000 0.140 0.000 0.822 530 A HN 0.553 nan 8.150 nan 0.000 0.447 531 F N -0.947 118.984 119.950 -0.032 0.000 2.095 531 F HA -0.205 4.356 4.527 0.057 0.000 0.298 531 F C 1.972 177.705 175.800 -0.112 0.000 1.104 531 F CA 1.828 59.726 58.000 -0.170 0.000 1.232 531 F CB -0.560 38.068 39.000 -0.620 0.000 0.987 531 F HN 0.401 nan 8.300 nan 0.000 0.475 532 W N 0.462 121.692 121.300 -0.117 0.000 2.409 532 W HA -0.110 4.581 4.660 0.052 0.000 0.299 532 W C 2.248 178.688 176.519 -0.131 0.000 1.203 532 W CA 0.946 58.185 57.345 -0.175 0.000 1.298 532 W CB -0.453 29.041 29.460 0.058 0.000 1.127 532 W HN -0.064 nan 8.180 nan 0.000 0.528 533 N N -0.346 118.468 118.700 0.189 0.000 2.395 533 N HA 0.029 4.801 4.740 0.054 0.000 0.175 533 N C 1.480 177.015 175.510 0.041 0.000 1.029 533 N CA 0.936 54.047 53.050 0.101 0.000 0.897 533 N CB -0.200 38.346 38.487 0.100 0.000 0.991 533 N HN 0.241 nan 8.380 nan 0.000 0.441 534 R N -1.263 119.263 120.500 0.043 0.000 2.194 534 R HA 0.226 4.598 4.340 0.054 0.000 0.194 534 R C 1.447 177.761 176.300 0.024 0.000 0.985 534 R CA 0.051 56.176 56.100 0.042 0.000 1.104 534 R CB -0.127 30.223 30.300 0.082 0.000 1.092 534 R HN 0.048 nan 8.270 nan 0.000 0.555 535 F N 1.320 121.180 119.950 -0.150 0.000 2.188 535 F HA 0.082 4.641 4.527 0.055 0.000 0.289 535 F C 1.909 177.540 175.800 -0.282 0.000 1.082 535 F CA 0.796 58.688 58.000 -0.181 0.000 1.282 535 F CB -0.195 38.726 39.000 -0.132 0.000 1.060 535 F HN -0.149 nan 8.300 nan 0.000 0.493 536 L N 1.136 122.020 121.223 -0.565 0.000 2.021 536 L HA -0.187 4.185 4.340 0.054 0.000 0.215 536 L C -0.473 176.157 176.870 -0.400 0.000 1.074 536 L CA 2.464 56.934 54.840 -0.617 0.000 0.760 536 L CB -2.172 39.525 42.059 -0.605 0.000 0.889 536 L HN 0.114 nan 8.230 nan 0.000 0.433 537 P HA -0.171 nan 4.420 nan 0.000 0.215 537 P C 1.498 178.663 177.300 -0.224 0.000 1.153 537 P CA 1.436 64.429 63.100 -0.178 0.000 0.853 537 P CB -0.031 31.606 31.700 -0.106 0.000 0.788 538 K N -1.038 119.189 120.400 -0.288 0.000 2.057 538 K HA -0.142 4.210 4.320 0.054 0.000 0.207 538 K C 1.944 178.321 176.600 -0.373 0.000 1.049 538 K CA 0.983 57.099 56.287 -0.285 0.000 0.931 538 K CB -0.910 31.438 32.500 -0.253 0.000 0.714 538 K HN 0.057 nan 8.250 nan 0.000 0.440 539 L N 1.711 122.562 121.223 -0.620 0.000 1.943 539 L HA -0.192 4.180 4.340 0.054 0.000 0.215 539 L C 2.027 178.735 176.870 -0.270 0.000 1.074 539 L CA 1.651 56.180 54.840 -0.518 0.000 0.759 539 L CB -0.792 40.887 42.059 -0.633 0.000 0.888 539 L HN 0.116 nan 8.230 nan 0.000 0.433 540 L N -0.307 120.774 121.223 -0.237 0.000 2.042 540 L HA -0.187 4.185 4.340 0.054 0.000 0.210 540 L C 1.979 178.778 176.870 -0.117 0.000 1.076 540 L CA 1.441 56.194 54.840 -0.144 0.000 0.749 540 L CB -0.924 41.064 42.059 -0.119 0.000 0.893 540 L HN 0.544 nan 8.230 nan 0.000 0.432 541 S N -0.305 115.318 115.700 -0.129 0.000 3.033 541 S HA 0.407 4.909 4.470 0.054 0.000 0.258 541 S C 0.642 175.189 174.600 -0.088 0.000 1.207 541 S CA 0.170 58.313 58.200 -0.096 0.000 1.248 541 S CB -0.062 63.085 63.200 -0.088 0.000 0.932 541 S HN 0.364 nan 8.310 nan 0.000 0.472 542 A N -0.487 122.281 122.820 -0.088 0.000 2.370 542 A HA 0.362 4.714 4.320 0.054 0.000 0.219 542 A C 0.984 178.529 177.584 -0.064 0.000 2.776 542 A CA 0.060 52.056 52.037 -0.069 0.000 1.633 542 A CB -1.350 17.607 19.000 -0.072 0.000 0.390 542 A HN 0.626 nan 8.150 nan 0.000 0.611 543 T N -0.916 113.598 114.554 -0.067 0.000 9.565 543 T HA -0.238 4.145 4.350 0.054 0.000 0.418 543 T C 1.016 175.680 174.700 -0.059 0.000 1.448 543 T CA 2.790 64.854 62.100 -0.060 0.000 2.455 543 T CB -1.165 67.678 68.868 -0.041 0.000 2.968 543 T HN 2.581 nan 8.240 nan 0.000 1.210 544 A N 0.000 122.785 122.820 -0.058 0.000 2.254 544 A HA 0.000 4.352 4.320 0.054 0.000 0.244 544 A CA 0.000 nan 52.037 nan 0.000 0.836 544 A CB 0.000 19.032 19.000 0.054 0.000 0.831 544 A HN 0.000 nan 8.150 nan 0.000 0.486