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 2wp5_1_B DATA FIRST_RESID 2 DATA SEQUENCE SKAFDLVVIG AGSGGLEAGW NAATLYGKRV AVVDVQTSHG PPFYAALGGT DATA SEQUENCE cVNVGcVPKK LMVTGAQYMD HLRESAGFGW EFDGSSVKAN WKKLIAAKNE DATA SEQUENCE AVLDINKSYE GMFNDTEGLD FFLGWGSLES KNVVVVRETA DPKSAVKERL DATA SEQUENCE QADHILLATG SWPQMPAIPG IEHCISSNEA FYLPEPPRRV LTVGGGFISV DATA SEQUENCE EFAGIFNAYK PPGGKVTLCY RNNLILRGFD ETIREEVTKQ LTANGIEIMT DATA SEQUENCE NENPAKVSLN TDGSKHVTFE SGKTLDVDVV MMAIGRIPRT NDLQLGNVGV DATA SEQUENCE KLTPKGGVQV DEFSRTNVPN IYAIGDITDR LMLTPVAINE GAALVDTVFG DATA SEQUENCE NKPRKTDHTR VASAVFSIPP IGTCGLIEEV AAKEFEKVAV YMSSFTPLMH DATA SEQUENCE NISGSKYKKF VAKIVTNHSD GTVLGVHLLG DGAPEIIQAV GVCLRLNAKI DATA SEQUENCE SDFYNTIGVH PTSAEELCSM RTPSYYYVKG EKMEK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.575 174.600 -0.042 0.000 1.055 2 S CA 0.000 58.175 58.200 -0.042 0.000 1.107 2 S CB 0.000 63.179 63.200 -0.034 0.000 0.593 3 K N 1.386 121.761 120.400 -0.042 0.000 2.551 3 K HA 0.796 5.115 4.320 -0.000 0.000 0.269 3 K C -1.179 175.303 176.600 -0.196 0.000 0.949 3 K CA -1.145 55.073 56.287 -0.115 0.000 0.849 3 K CB 1.981 34.453 32.500 -0.047 0.000 1.411 3 K HN 0.645 nan 8.250 nan 0.000 0.432 4 A N 1.890 124.461 122.820 -0.415 0.000 2.350 4 A HA 0.889 5.208 4.320 -0.000 0.000 0.324 4 A C -1.425 175.813 177.584 -0.577 0.000 1.118 4 A CA -0.584 51.267 52.037 -0.309 0.000 0.783 4 A CB 0.417 19.327 19.000 -0.151 0.000 1.236 4 A HN 0.549 nan 8.150 nan 0.000 0.457 5 F N 0.036 120.024 119.950 0.064 0.000 2.608 5 F HA 0.303 4.830 4.527 -0.000 0.000 0.309 5 F C 0.331 176.200 175.800 0.115 0.000 1.103 5 F CA -0.496 57.557 58.000 0.088 0.000 0.954 5 F CB 2.327 41.393 39.000 0.110 0.000 1.267 5 F HN 0.667 nan 8.300 nan 0.000 0.444 6 D N 0.975 121.565 120.400 0.316 0.000 2.219 6 D HA 0.039 4.679 4.640 -0.000 0.000 0.205 6 D C -0.403 176.180 176.300 0.473 0.000 0.970 6 D CA 1.388 55.588 54.000 0.334 0.000 0.851 6 D CB 0.361 41.284 40.800 0.204 0.000 0.943 6 D HN 0.168 nan 8.370 nan 0.000 0.488 7 L N -0.232 121.220 121.223 0.382 0.000 2.513 7 L HA 0.432 4.771 4.340 -0.000 0.000 0.261 7 L C -1.786 175.200 176.870 0.195 0.000 0.945 7 L CA -0.781 54.274 54.840 0.359 0.000 0.848 7 L CB 2.049 44.335 42.059 0.378 0.000 1.334 7 L HN -0.318 nan 8.230 nan 0.000 0.407 8 V N 4.786 124.793 119.914 0.155 0.000 2.680 8 V HA 0.732 4.852 4.120 -0.000 0.000 0.309 8 V C -0.815 175.326 176.094 0.077 0.000 1.052 8 V CA -0.637 61.676 62.300 0.022 0.000 0.908 8 V CB 2.207 34.016 31.823 -0.023 0.000 1.001 8 V HN 0.543 nan 8.190 nan 0.000 0.431 9 V N 5.755 125.699 119.914 0.051 0.000 2.444 9 V HA 0.489 4.609 4.120 -0.000 0.000 0.294 9 V C -0.265 175.864 176.094 0.058 0.000 1.022 9 V CA -0.433 61.921 62.300 0.090 0.000 0.850 9 V CB 1.868 33.768 31.823 0.129 0.000 0.992 9 V HN 0.672 nan 8.190 nan 0.000 0.426 10 I N 4.708 125.312 120.570 0.058 0.000 2.291 10 I HA 0.639 4.809 4.170 -0.000 0.000 0.292 10 I C 0.780 176.924 176.117 0.045 0.000 1.064 10 I CA 0.107 61.424 61.300 0.027 0.000 1.269 10 I CB 0.964 38.979 38.000 0.025 0.000 1.418 10 I HN 0.900 nan 8.210 nan 0.000 0.485 11 G N 4.635 113.457 108.800 0.037 0.000 3.199 11 G HA2 0.069 4.029 3.960 -0.000 0.000 0.680 11 G HA3 0.069 4.029 3.960 -0.000 0.000 0.680 11 G C -0.184 174.793 174.900 0.127 0.000 1.197 11 G CA -0.448 44.691 45.100 0.065 0.000 1.143 11 G HN 0.882 nan 8.290 nan 0.000 0.492 12 A N 1.562 124.484 122.820 0.169 0.000 3.074 12 A HA 0.704 5.023 4.320 -0.000 0.000 0.251 12 A C 1.348 179.060 177.584 0.213 0.000 1.695 12 A CA 1.176 53.367 52.037 0.257 0.000 1.343 12 A CB -0.336 18.886 19.000 0.370 0.000 1.078 12 A HN 1.975 nan 8.150 nan 0.000 0.644 13 G N -1.059 107.842 108.800 0.168 0.000 2.887 13 G HA2 0.422 4.382 3.960 -0.000 0.000 0.277 13 G HA3 0.422 4.382 3.960 -0.000 0.000 0.277 13 G C 1.011 175.988 174.900 0.129 0.000 1.346 13 G CA 0.364 45.553 45.100 0.148 0.000 1.058 13 G HN 0.249 nan 8.290 nan 0.000 0.535 14 S N -0.361 115.408 115.700 0.115 0.000 2.404 14 S HA -0.208 4.261 4.470 -0.000 0.000 0.230 14 S C 2.523 177.169 174.600 0.077 0.000 1.046 14 S CA 2.338 60.591 58.200 0.089 0.000 1.135 14 S CB -0.916 62.335 63.200 0.084 0.000 1.056 14 S HN 0.871 nan 8.310 nan 0.000 0.426 15 G N 0.574 109.427 108.800 0.088 0.000 2.418 15 G HA2 -0.030 3.929 3.960 -0.000 0.000 0.217 15 G HA3 -0.030 3.929 3.960 -0.000 0.000 0.217 15 G C 1.449 176.407 174.900 0.098 0.000 1.158 15 G CA 1.085 46.237 45.100 0.087 0.000 0.771 15 G HN 0.607 nan 8.290 nan 0.000 0.545 16 G N 1.042 109.910 108.800 0.114 0.000 2.514 16 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.217 16 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.217 16 G C 1.789 176.770 174.900 0.135 0.000 1.198 16 G CA 0.849 46.028 45.100 0.133 0.000 0.780 16 G HN 0.407 nan 8.290 nan 0.000 0.565 17 L N 0.089 121.381 121.223 0.115 0.000 2.141 17 L HA -0.019 4.321 4.340 -0.000 0.000 0.209 17 L C 2.775 179.674 176.870 0.049 0.000 1.094 17 L CA 1.307 56.188 54.840 0.069 0.000 0.763 17 L CB -0.298 41.751 42.059 -0.016 0.000 0.908 17 L HN 0.282 nan 8.230 nan 0.000 0.437 18 E N 0.792 121.018 120.200 0.043 0.000 2.047 18 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 18 E C 2.106 178.787 176.600 0.136 0.000 0.987 18 E CA 1.675 58.107 56.400 0.054 0.000 0.799 18 E CB -0.079 29.637 29.700 0.028 0.000 0.752 18 E HN 0.335 nan 8.360 nan 0.000 0.449 19 A N -0.101 122.796 122.820 0.127 0.000 2.016 19 A HA 0.128 4.448 4.320 -0.000 0.000 0.217 19 A C 2.325 180.001 177.584 0.153 0.000 1.162 19 A CA 1.295 53.419 52.037 0.145 0.000 0.662 19 A CB -0.922 18.158 19.000 0.132 0.000 0.812 19 A HN 0.391 nan 8.150 nan 0.000 0.450 20 G N -1.053 107.836 108.800 0.147 0.000 2.414 20 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.215 20 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.215 20 G C 1.502 176.456 174.900 0.090 0.000 1.188 20 G CA 0.891 46.067 45.100 0.127 0.000 0.783 20 G HN 0.623 nan 8.290 nan 0.000 0.537 21 W N 1.878 123.126 121.300 -0.086 0.000 2.333 21 W HA -0.143 4.517 4.660 -0.000 0.000 0.316 21 W C 1.985 178.449 176.519 -0.091 0.000 1.215 21 W CA 1.681 58.945 57.345 -0.135 0.000 1.278 21 W CB -0.320 29.033 29.460 -0.178 0.000 1.154 21 W HN 0.186 nan 8.180 nan 0.000 0.486 22 N N 0.677 119.479 118.700 0.170 0.000 2.244 22 N HA -0.107 4.633 4.740 -0.000 0.000 0.183 22 N C 1.855 177.359 175.510 -0.009 0.000 1.016 22 N CA 2.094 55.186 53.050 0.071 0.000 0.866 22 N CB -1.040 37.544 38.487 0.162 0.000 0.980 22 N HN 0.178 nan 8.380 nan 0.000 0.430 23 A N 0.551 123.388 122.820 0.028 0.000 1.930 23 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 23 A C 2.267 179.756 177.584 -0.158 0.000 1.175 23 A CA 1.702 53.715 52.037 -0.039 0.000 0.627 23 A CB -0.724 18.193 19.000 -0.138 0.000 0.815 23 A HN 0.302 nan 8.150 nan 0.000 0.443 24 A N -0.372 122.327 122.820 -0.201 0.000 1.840 24 A HA -0.047 4.273 4.320 -0.000 0.000 0.214 24 A C 2.467 179.861 177.584 -0.316 0.000 1.198 24 A CA 2.422 54.310 52.037 -0.248 0.000 0.608 24 A CB -1.325 17.510 19.000 -0.274 0.000 0.839 24 A HN 0.762 nan 8.150 nan 0.000 0.443 25 T N -3.010 111.253 114.554 -0.485 0.000 3.023 25 T HA 0.126 4.476 4.350 -0.000 0.000 0.266 25 T C 1.451 175.944 174.700 -0.345 0.000 1.093 25 T CA 1.419 63.220 62.100 -0.499 0.000 1.129 25 T CB -0.105 68.273 68.868 -0.818 0.000 0.899 25 T HN 0.110 nan 8.240 nan 0.000 0.491 26 L N -1.655 119.354 121.223 -0.356 0.000 2.500 26 L HA 0.418 4.757 4.340 -0.000 0.000 0.219 26 L C 1.074 177.620 176.870 -0.541 0.000 1.057 26 L CA 0.507 55.054 54.840 -0.488 0.000 0.854 26 L CB 0.342 41.989 42.059 -0.687 0.000 1.078 26 L HN 0.190 nan 8.230 nan 0.000 0.480 27 Y N -0.884 119.349 120.300 -0.112 0.000 2.527 27 Y HA 0.481 5.031 4.550 -0.000 0.000 0.247 27 Y C 1.417 177.238 175.900 -0.132 0.000 1.138 27 Y CA -0.472 57.571 58.100 -0.095 0.000 1.228 27 Y CB 0.145 38.559 38.460 -0.077 0.000 1.252 27 Y HN -0.002 nan 8.280 nan 0.000 0.531 28 G N 2.016 110.781 108.800 -0.058 0.000 2.372 28 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.297 28 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.297 28 G C -0.041 174.808 174.900 -0.086 0.000 1.005 28 G CA 0.146 45.197 45.100 -0.082 0.000 1.173 28 G HN 0.100 nan 8.290 nan 0.000 0.511 29 K N -0.307 120.003 120.400 -0.151 0.000 2.258 29 K HA 0.548 4.868 4.320 -0.000 0.000 0.236 29 K C 0.514 177.059 176.600 -0.091 0.000 1.008 29 K CA -0.920 55.252 56.287 -0.191 0.000 0.869 29 K CB 1.368 33.557 32.500 -0.519 0.000 1.171 29 K HN 0.288 nan 8.250 nan 0.000 0.447 30 R N 0.872 121.372 120.500 0.000 0.000 2.295 30 R HA 0.455 4.795 4.340 -0.000 0.000 0.324 30 R C -0.851 175.648 176.300 0.332 0.000 0.968 30 R CA -0.703 55.487 56.100 0.151 0.000 0.837 30 R CB 1.275 31.654 30.300 0.131 0.000 1.133 30 R HN 0.200 nan 8.270 nan 0.000 0.450 31 V N 2.347 122.474 119.914 0.355 0.000 2.569 31 V HA 0.480 4.600 4.120 -0.000 0.000 0.301 31 V C -0.500 175.534 176.094 -0.100 0.000 1.044 31 V CA -0.789 61.603 62.300 0.153 0.000 0.874 31 V CB 1.833 33.700 31.823 0.073 0.000 1.002 31 V HN 0.896 nan 8.190 nan 0.000 0.424 32 A N 4.824 127.310 122.820 -0.556 0.000 2.324 32 A HA 0.922 5.242 4.320 -0.000 0.000 0.330 32 A C -0.904 176.580 177.584 -0.165 0.000 1.165 32 A CA -0.554 51.143 52.037 -0.566 0.000 0.813 32 A CB 1.664 20.000 19.000 -1.105 0.000 1.197 32 A HN 0.681 nan 8.150 nan 0.000 0.484 33 V N 2.661 122.541 119.914 -0.057 0.000 2.588 33 V HA 0.480 4.600 4.120 -0.000 0.000 0.304 33 V C -0.548 175.455 176.094 -0.152 0.000 1.042 33 V CA -0.457 61.858 62.300 0.024 0.000 0.877 33 V CB 1.854 33.846 31.823 0.283 0.000 0.996 33 V HN 0.706 nan 8.190 nan 0.000 0.425 34 V N 3.648 123.485 119.914 -0.129 0.000 2.513 34 V HA 0.652 4.771 4.120 -0.000 0.000 0.299 34 V C -0.527 175.455 176.094 -0.188 0.000 1.035 34 V CA -0.446 61.693 62.300 -0.269 0.000 0.889 34 V CB 1.846 33.565 31.823 -0.175 0.000 0.988 34 V HN 0.884 nan 8.190 nan 0.000 0.440 35 D N 1.251 121.492 120.400 -0.265 0.000 2.596 35 D HA 0.342 4.982 4.640 -0.000 0.000 0.234 35 D C 0.571 176.717 176.300 -0.257 0.000 1.181 35 D CA -0.325 53.599 54.000 -0.127 0.000 0.856 35 D CB 3.011 43.907 40.800 0.159 0.000 1.498 35 D HN 0.405 nan 8.370 nan 0.000 0.446 36 V N -0.496 119.148 119.914 -0.450 0.000 3.129 36 V HA 0.205 4.325 4.120 -0.000 0.000 0.259 36 V C 0.497 176.437 176.094 -0.257 0.000 1.116 36 V CA 1.132 62.997 62.300 -0.725 0.000 1.127 36 V CB -0.070 30.746 31.823 -1.678 0.000 0.742 36 V HN 0.388 nan 8.190 nan 0.000 0.474 37 Q N -0.600 119.173 119.800 -0.045 0.000 2.501 37 Q HA 0.480 4.820 4.340 -0.000 0.000 0.288 37 Q C 0.555 176.617 176.000 0.104 0.000 1.051 37 Q CA 0.274 56.128 55.803 0.085 0.000 0.788 37 Q CB 2.460 31.274 28.738 0.128 0.000 1.469 37 Q HN 0.416 nan 8.270 nan 0.000 0.416 38 T N -3.390 111.203 114.554 0.065 0.000 3.071 38 T HA 0.143 4.493 4.350 -0.000 0.000 0.239 38 T C 1.048 175.737 174.700 -0.019 0.000 0.997 38 T CA 0.151 62.245 62.100 -0.010 0.000 1.134 38 T CB 0.207 69.052 68.868 -0.038 0.000 0.928 38 T HN 0.308 nan 8.240 nan 0.000 0.453 39 S N 1.737 117.425 115.700 -0.021 0.000 2.593 39 S HA 0.307 4.777 4.470 -0.000 0.000 0.269 39 S C 0.082 174.666 174.600 -0.027 0.000 1.334 39 S CA -0.663 57.513 58.200 -0.041 0.000 1.015 39 S CB -0.026 63.097 63.200 -0.128 0.000 0.912 39 S HN 0.778 nan 8.310 nan 0.000 0.541 40 H N 0.610 119.677 119.070 -0.004 0.000 2.607 40 H HA 0.678 5.233 4.556 -0.000 0.000 0.367 40 H C 0.648 175.974 175.328 -0.005 0.000 1.181 40 H CA -0.035 56.033 56.048 0.034 0.000 1.402 40 H CB 0.174 29.971 29.762 0.059 0.000 1.474 40 H HN 0.965 nan 8.280 nan 0.000 0.596 41 G N 0.567 109.396 108.800 0.049 0.000 2.498 41 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.651 41 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.651 41 G C -3.026 171.488 174.900 -0.642 0.000 1.284 41 G CA -0.809 44.098 45.100 -0.320 0.000 0.950 41 G HN 0.786 nan 8.290 nan 0.000 0.511 42 P HA 0.207 nan 4.420 nan 0.000 0.266 42 P C -1.951 174.999 177.300 -0.583 0.000 1.193 42 P CA -0.567 61.931 63.100 -1.003 0.000 0.770 42 P CB 0.471 31.784 31.700 -0.645 0.000 0.836 43 P HA 0.117 nan 4.420 nan 0.000 0.230 43 P C 0.570 177.493 177.300 -0.628 0.000 1.168 43 P CA 1.009 63.696 63.100 -0.688 0.000 0.793 43 P CB 0.054 31.216 31.700 -0.897 0.000 0.851 44 F N -3.395 116.466 119.950 -0.148 0.000 2.704 44 F HA 0.242 4.768 4.527 -0.000 0.000 0.304 44 F C 0.994 177.011 175.800 0.361 0.000 1.094 44 F CA -0.495 57.612 58.000 0.178 0.000 1.275 44 F CB -0.295 38.785 39.000 0.133 0.000 1.073 44 F HN -0.260 nan 8.300 nan 0.000 0.586 45 Y N -1.095 119.434 120.300 0.382 0.000 2.801 45 Y HA -0.400 4.149 4.550 -0.000 0.000 0.472 45 Y C 1.686 177.771 175.900 0.308 0.000 1.151 45 Y CA -0.020 58.289 58.100 0.348 0.000 2.731 45 Y CB -2.077 36.612 38.460 0.381 0.000 1.146 45 Y HN -0.018 nan 8.280 nan 0.000 0.611 46 A N 2.078 125.210 122.820 0.520 0.000 2.536 46 A HA 0.517 4.837 4.320 -0.000 0.000 0.234 46 A C 0.669 178.396 177.584 0.238 0.000 1.076 46 A CA 1.458 53.697 52.037 0.336 0.000 0.769 46 A CB -0.202 19.009 19.000 0.353 0.000 1.020 46 A HN 1.695 nan 8.150 nan 0.000 0.508 47 A N -0.185 122.734 122.820 0.166 0.000 4.056 47 A HA 0.536 4.856 4.320 -0.000 0.000 0.277 47 A C -0.800 176.855 177.584 0.119 0.000 1.037 47 A CA -0.311 51.797 52.037 0.119 0.000 0.572 47 A CB -0.348 18.722 19.000 0.117 0.000 1.685 47 A HN 1.897 nan 8.150 nan 0.000 0.799 48 L N 1.292 122.573 121.223 0.098 0.000 2.584 48 L HA 0.440 4.780 4.340 -0.000 0.000 0.272 48 L C 1.358 178.306 176.870 0.130 0.000 1.195 48 L CA 2.614 57.514 54.840 0.100 0.000 0.920 48 L CB -0.168 41.865 42.059 -0.044 0.000 1.173 48 L HN 2.162 nan 8.230 nan 0.000 0.489 49 G N 2.224 111.160 108.800 0.227 0.000 2.279 49 G HA2 0.069 4.029 3.960 -0.000 0.000 0.223 49 G HA3 0.069 4.029 3.960 -0.000 0.000 0.223 49 G C 1.120 176.121 174.900 0.168 0.000 1.015 49 G CA 0.204 45.445 45.100 0.234 0.000 0.621 49 G HN 2.050 nan 8.290 nan 0.000 0.506 50 G N -1.475 107.413 108.800 0.147 0.000 2.660 50 G HA2 0.113 4.073 3.960 -0.000 0.000 0.215 50 G HA3 0.113 4.073 3.960 -0.000 0.000 0.215 50 G C 0.787 175.762 174.900 0.126 0.000 1.345 50 G CA 0.810 45.995 45.100 0.141 0.000 0.877 50 G HN 1.279 nan 8.290 nan 0.000 0.549 51 T N -0.449 114.190 114.554 0.141 0.000 2.674 51 T HA -0.227 4.122 4.350 -0.000 0.000 0.265 51 T C 2.531 177.275 174.700 0.073 0.000 1.039 51 T CA 2.766 64.946 62.100 0.133 0.000 1.150 51 T CB -0.748 68.219 68.868 0.165 0.000 0.864 51 T HN 1.200 nan 8.240 nan 0.000 0.427 52 c N 1.240 119.887 118.600 0.078 0.000 2.376 52 c HA -0.121 4.449 4.570 -0.000 0.000 0.275 52 c C 2.781 176.858 174.090 -0.022 0.000 1.200 52 c CA 1.015 57.371 56.329 0.045 0.000 1.756 52 c CB -1.282 41.261 42.510 0.056 0.000 2.050 52 c HN 0.393 nan 8.230 nan 0.000 0.460 53 V N 1.616 121.520 119.914 -0.017 0.000 2.358 53 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 53 V C 2.308 178.320 176.094 -0.138 0.000 1.047 53 V CA 2.471 64.722 62.300 -0.082 0.000 1.035 53 V CB -0.629 31.150 31.823 -0.073 0.000 0.658 53 V HN 0.609 nan 8.190 nan 0.000 0.452 54 N N -0.034 118.614 118.700 -0.086 0.000 2.436 54 N HA 0.020 4.759 4.740 -0.000 0.000 0.178 54 N C 0.875 176.236 175.510 -0.248 0.000 1.026 54 N CA 1.591 54.589 53.050 -0.088 0.000 0.880 54 N CB 1.018 39.558 38.487 0.087 0.000 1.061 54 N HN 0.525 nan 8.380 nan 0.000 0.434 55 V N -2.835 116.910 119.914 -0.281 0.000 3.028 55 V HA 0.688 4.807 4.120 -0.000 0.000 0.418 55 V C 0.233 176.145 176.094 -0.303 0.000 1.433 55 V CA -0.440 61.475 62.300 -0.640 0.000 1.543 55 V CB 0.561 32.330 31.823 -0.090 0.000 1.329 55 V HN 0.157 nan 8.190 nan 0.000 0.646 56 G N -0.289 108.387 108.800 -0.208 0.000 3.321 56 G HA2 0.277 4.237 3.960 -0.000 0.000 0.169 56 G HA3 0.277 4.237 3.960 -0.000 0.000 0.169 56 G C 0.888 175.834 174.900 0.076 0.000 1.153 56 G CA 0.627 45.778 45.100 0.085 0.000 1.007 56 G HN 0.312 nan 8.290 nan 0.000 0.668 57 c N 0.125 118.768 118.600 0.073 0.000 2.303 57 c HA -0.116 4.454 4.570 -0.000 0.000 0.273 57 c C 2.829 176.870 174.090 -0.081 0.000 1.154 57 c CA 1.184 57.523 56.329 0.016 0.000 1.784 57 c CB -1.615 40.898 42.510 0.005 0.000 1.993 57 c HN 0.303 nan 8.230 nan 0.000 0.430 58 V N 3.279 123.128 119.914 -0.108 0.000 2.219 58 V HA -0.190 3.929 4.120 -0.000 0.000 0.248 58 V C 0.300 176.289 176.094 -0.175 0.000 1.053 58 V CA 2.982 65.190 62.300 -0.153 0.000 1.009 58 V CB -2.152 29.578 31.823 -0.155 0.000 0.636 58 V HN 0.445 nan 8.190 nan 0.000 0.445 59 P HA -0.201 nan 4.420 nan 0.000 0.218 59 P C 1.358 178.635 177.300 -0.039 0.000 1.148 59 P CA 1.948 64.937 63.100 -0.185 0.000 0.822 59 P CB -0.071 31.394 31.700 -0.392 0.000 0.784 60 K N 0.602 121.020 120.400 0.029 0.000 2.062 60 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 60 K C 2.172 178.653 176.600 -0.199 0.000 1.051 60 K CA 1.353 57.609 56.287 -0.051 0.000 0.941 60 K CB -1.005 31.473 32.500 -0.037 0.000 0.719 60 K HN -0.182 nan 8.250 nan 0.000 0.440 61 K N 1.283 121.531 120.400 -0.253 0.000 2.059 61 K HA -0.067 4.252 4.320 -0.000 0.000 0.212 61 K C 1.901 178.347 176.600 -0.257 0.000 1.050 61 K CA 1.838 57.887 56.287 -0.398 0.000 0.927 61 K CB -0.644 31.592 32.500 -0.440 0.000 0.714 61 K HN 0.332 nan 8.250 nan 0.000 0.447 62 L N -0.443 120.667 121.223 -0.189 0.000 2.056 62 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 62 L C 2.519 179.325 176.870 -0.107 0.000 1.078 62 L CA 1.457 56.216 54.840 -0.134 0.000 0.749 62 L CB -0.312 41.668 42.059 -0.132 0.000 0.901 62 L HN 0.241 nan 8.230 nan 0.000 0.433 63 M N -1.305 118.206 119.600 -0.147 0.000 2.156 63 M HA -0.153 4.327 4.480 -0.000 0.000 0.264 63 M C 2.274 178.544 176.300 -0.050 0.000 1.067 63 M CA 1.188 56.398 55.300 -0.150 0.000 1.131 63 M CB -0.382 32.056 32.600 -0.270 0.000 1.368 63 M HN -0.012 nan 8.290 nan 0.000 0.416 64 V N 0.223 120.066 119.914 -0.118 0.000 2.332 64 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 64 V C 2.341 178.419 176.094 -0.026 0.000 1.055 64 V CA 2.323 64.581 62.300 -0.070 0.000 1.038 64 V CB -1.082 30.696 31.823 -0.075 0.000 0.651 64 V HN 0.520 nan 8.190 nan 0.000 0.450 65 T N 0.235 114.758 114.554 -0.051 0.000 2.720 65 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 65 T C 1.922 176.628 174.700 0.010 0.000 1.037 65 T CA 1.612 63.678 62.100 -0.056 0.000 1.144 65 T CB -0.767 68.074 68.868 -0.045 0.000 0.864 65 T HN 0.642 nan 8.240 nan 0.000 0.444 66 G N 1.334 110.234 108.800 0.167 0.000 2.529 66 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.219 66 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.219 66 G C 1.828 176.952 174.900 0.373 0.000 1.177 66 G CA 1.087 46.438 45.100 0.419 0.000 0.773 66 G HN 0.611 nan 8.290 nan 0.000 0.573 67 A N -0.135 122.857 122.820 0.287 0.000 2.019 67 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 67 A C 2.283 179.845 177.584 -0.036 0.000 1.164 67 A CA 1.948 54.040 52.037 0.092 0.000 0.644 67 A CB -0.416 18.655 19.000 0.118 0.000 0.805 67 A HN 0.473 nan 8.150 nan 0.000 0.449 68 Q N -1.534 118.201 119.800 -0.109 0.000 2.152 68 Q HA -0.235 4.105 4.340 -0.000 0.000 0.206 68 Q C 1.521 177.318 176.000 -0.339 0.000 0.985 68 Q CA 1.957 57.592 55.803 -0.280 0.000 0.863 68 Q CB -0.342 28.193 28.738 -0.339 0.000 0.904 68 Q HN 0.850 nan 8.270 nan 0.000 0.422 69 Y N -0.341 119.955 120.300 -0.008 0.000 2.403 69 Y HA -0.218 4.332 4.550 -0.000 0.000 0.291 69 Y C 2.086 177.979 175.900 -0.012 0.000 1.143 69 Y CA 1.169 59.293 58.100 0.039 0.000 1.257 69 Y CB -0.405 38.074 38.460 0.032 0.000 0.984 69 Y HN 0.252 nan 8.280 nan 0.000 0.550 70 M N 0.105 119.733 119.600 0.047 0.000 2.086 70 M HA -0.237 4.243 4.480 -0.000 0.000 0.261 70 M C 1.228 177.557 176.300 0.048 0.000 1.067 70 M CA 2.206 57.519 55.300 0.021 0.000 1.116 70 M CB -0.048 32.531 32.600 -0.035 0.000 1.348 70 M HN 0.037 nan 8.290 nan 0.000 0.407 71 D N -0.372 120.020 120.400 -0.013 0.000 2.097 71 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 71 D C 2.006 178.334 176.300 0.047 0.000 0.984 71 D CA 1.286 55.277 54.000 -0.014 0.000 0.826 71 D CB -0.659 40.075 40.800 -0.111 0.000 0.973 71 D HN 0.478 nan 8.370 nan 0.000 0.460 72 H N 0.163 119.273 119.070 0.066 0.000 2.422 72 H HA -0.024 4.532 4.556 -0.000 0.000 0.298 72 H C 2.263 177.649 175.328 0.098 0.000 1.098 72 H CA 0.717 56.803 56.048 0.064 0.000 1.315 72 H CB -0.280 29.507 29.762 0.042 0.000 1.382 72 H HN 0.199 nan 8.280 nan 0.000 0.523 73 L N -0.173 121.203 121.223 0.254 0.000 2.068 73 L HA -0.072 4.268 4.340 -0.000 0.000 0.204 73 L C 2.814 179.901 176.870 0.362 0.000 1.076 73 L CA 0.957 55.963 54.840 0.277 0.000 0.753 73 L CB -0.372 41.864 42.059 0.295 0.000 0.910 73 L HN 0.089 nan 8.230 nan 0.000 0.439 74 R N 0.882 121.538 120.500 0.260 0.000 2.083 74 R HA -0.208 4.132 4.340 -0.000 0.000 0.237 74 R C 2.104 178.543 176.300 0.230 0.000 1.137 74 R CA 1.864 58.090 56.100 0.209 0.000 0.951 74 R CB -0.138 30.250 30.300 0.148 0.000 0.851 74 R HN 0.375 nan 8.270 nan 0.000 0.434 75 E N 0.055 120.398 120.200 0.238 0.000 2.204 75 E HA -0.165 4.184 4.350 -0.000 0.000 0.195 75 E C 1.968 178.792 176.600 0.373 0.000 0.990 75 E CA 1.508 58.079 56.400 0.284 0.000 0.821 75 E CB 0.024 29.898 29.700 0.290 0.000 0.750 75 E HN 0.524 nan 8.360 nan 0.000 0.477 76 S N 0.972 116.882 115.700 0.350 0.000 2.399 76 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 76 S C 2.274 177.210 174.600 0.560 0.000 1.022 76 S CA 0.744 59.199 58.200 0.425 0.000 0.983 76 S CB -0.239 63.084 63.200 0.205 0.000 0.803 76 S HN 0.294 nan 8.310 nan 0.000 0.480 77 A N 2.042 125.120 122.820 0.429 0.000 1.958 77 A HA 0.016 4.336 4.320 -0.000 0.000 0.221 77 A C 2.335 180.052 177.584 0.223 0.000 1.178 77 A CA 1.798 54.017 52.037 0.303 0.000 0.642 77 A CB -1.753 17.355 19.000 0.181 0.000 0.816 77 A HN 0.713 nan 8.150 nan 0.000 0.453 78 G N -2.607 106.323 108.800 0.216 0.000 2.598 78 G HA2 0.084 4.043 3.960 -0.000 0.000 0.215 78 G HA3 0.084 4.043 3.960 -0.000 0.000 0.215 78 G C 0.828 175.624 174.900 -0.172 0.000 1.131 78 G CA 0.560 45.672 45.100 0.020 0.000 0.785 78 G HN 0.486 nan 8.290 nan 0.000 0.539 79 F N 0.046 120.105 119.950 0.182 0.000 2.647 79 F HA 0.378 4.905 4.527 -0.001 0.000 0.300 79 F C 1.775 177.627 175.800 0.086 0.000 1.106 79 F CA 0.234 58.334 58.000 0.167 0.000 1.313 79 F CB 0.898 40.055 39.000 0.262 0.000 1.007 79 F HN 0.176 nan 8.300 nan 0.000 0.536 80 G N -0.866 108.037 108.800 0.172 0.000 2.175 80 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.244 80 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.244 80 G C -0.043 174.826 174.900 -0.052 0.000 0.982 80 G CA -0.664 44.438 45.100 0.003 0.000 0.641 80 G HN 0.268 nan 8.290 nan 0.000 0.527 81 W N 1.225 122.632 121.300 0.179 0.000 2.216 81 W HA 0.594 5.254 4.660 -0.000 0.000 0.326 81 W C 0.767 177.434 176.519 0.246 0.000 1.319 81 W CA 0.013 57.477 57.345 0.199 0.000 1.213 81 W CB 0.555 30.141 29.460 0.210 0.000 1.171 81 W HN 0.131 nan 8.180 nan 0.000 0.557 82 E N 3.079 123.569 120.200 0.483 0.000 2.263 82 E HA 0.489 4.839 4.350 -0.000 0.000 0.268 82 E C -1.100 175.793 176.600 0.488 0.000 0.884 82 E CA -0.881 55.726 56.400 0.345 0.000 0.766 82 E CB 1.787 31.578 29.700 0.152 0.000 1.196 82 E HN 0.277 nan 8.360 nan 0.000 0.416 83 F N -0.907 119.120 119.950 0.129 0.000 2.773 83 F HA 0.366 4.893 4.527 -0.001 0.000 0.314 83 F C -1.009 174.835 175.800 0.072 0.000 1.160 83 F CA -1.460 56.600 58.000 0.100 0.000 0.920 83 F CB 0.616 39.681 39.000 0.108 0.000 1.323 83 F HN 0.121 nan 8.300 nan 0.000 0.457 84 D N 1.194 121.669 120.400 0.126 0.000 2.367 84 D HA 0.259 4.899 4.640 -0.000 0.000 0.255 84 D C 1.319 177.597 176.300 -0.037 0.000 1.300 84 D CA 0.764 54.773 54.000 0.015 0.000 0.959 84 D CB 1.134 41.981 40.800 0.079 0.000 1.064 84 D HN 0.868 nan 8.370 nan 0.000 0.509 85 G N 2.231 110.883 108.800 -0.247 0.000 2.448 85 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 85 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 85 G C 1.471 176.351 174.900 -0.033 0.000 1.127 85 G CA 0.905 45.878 45.100 -0.212 0.000 0.766 85 G HN 0.541 nan 8.290 nan 0.000 0.552 86 S N 0.695 116.383 115.700 -0.020 0.000 2.515 86 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 86 S C 2.069 176.693 174.600 0.040 0.000 0.987 86 S CA 1.399 59.606 58.200 0.011 0.000 0.936 86 S CB -0.232 62.971 63.200 0.005 0.000 0.766 86 S HN 0.508 nan 8.310 nan 0.000 0.528 87 S N 0.131 115.872 115.700 0.068 0.000 2.557 87 S HA 0.333 4.803 4.470 -0.000 0.000 0.223 87 S C 0.204 174.864 174.600 0.100 0.000 0.969 87 S CA -0.494 57.755 58.200 0.082 0.000 0.927 87 S CB -0.118 63.137 63.200 0.092 0.000 0.806 87 S HN 0.241 nan 8.310 nan 0.000 0.489 88 V N 3.415 123.399 119.914 0.116 0.000 2.488 88 V HA 0.436 4.556 4.120 -0.000 0.000 0.277 88 V C 0.088 176.233 176.094 0.086 0.000 1.046 88 V CA -0.336 62.041 62.300 0.128 0.000 0.986 88 V CB 0.633 32.557 31.823 0.170 0.000 0.989 88 V HN 0.670 nan 8.190 nan 0.000 0.475 89 K N 3.833 124.279 120.400 0.076 0.000 2.443 89 K HA 0.904 5.223 4.320 -0.000 0.000 0.251 89 K C -0.934 175.713 176.600 0.080 0.000 0.972 89 K CA -0.888 55.443 56.287 0.074 0.000 0.833 89 K CB 2.365 34.911 32.500 0.077 0.000 1.317 89 K HN 0.566 nan 8.250 nan 0.000 0.441 90 A N 2.110 124.989 122.820 0.097 0.000 2.280 90 A HA 0.254 4.574 4.320 -0.000 0.000 0.320 90 A C -0.772 177.005 177.584 0.322 0.000 1.366 90 A CA -0.731 51.392 52.037 0.143 0.000 0.938 90 A CB -0.093 18.917 19.000 0.016 0.000 1.157 90 A HN 0.696 nan 8.150 nan 0.000 0.536 91 N N 3.337 122.239 118.700 0.338 0.000 3.034 91 N HA -0.023 4.716 4.740 -0.000 0.000 0.265 91 N C 1.009 176.724 175.510 0.342 0.000 1.166 91 N CA -0.584 52.649 53.050 0.304 0.000 1.081 91 N CB -0.103 38.490 38.487 0.175 0.000 1.378 91 N HN 0.896 nan 8.380 nan 0.000 0.520 92 W N 3.462 124.873 121.300 0.184 0.000 2.290 92 W HA -0.317 4.342 4.660 -0.000 0.000 0.323 92 W C 1.048 177.549 176.519 -0.030 0.000 1.260 92 W CA 1.496 58.823 57.345 -0.030 0.000 1.266 92 W CB 0.145 29.636 29.460 0.052 0.000 1.149 92 W HN 0.441 nan 8.180 nan 0.000 0.482 93 K N 0.032 120.543 120.400 0.184 0.000 2.103 93 K HA -0.264 4.055 4.320 -0.000 0.000 0.207 93 K C 2.004 178.582 176.600 -0.036 0.000 1.048 93 K CA 2.092 58.417 56.287 0.063 0.000 0.930 93 K CB -0.319 32.261 32.500 0.134 0.000 0.716 93 K HN -0.112 nan 8.250 nan 0.000 0.444 94 K N 1.219 121.615 120.400 -0.007 0.000 2.057 94 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 94 K C 1.872 178.416 176.600 -0.093 0.000 1.050 94 K CA 0.912 57.183 56.287 -0.026 0.000 0.935 94 K CB -0.331 32.180 32.500 0.017 0.000 0.715 94 K HN 0.055 nan 8.250 nan 0.000 0.439 95 L N 0.547 121.671 121.223 -0.166 0.000 1.994 95 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 95 L C 1.889 178.545 176.870 -0.355 0.000 1.071 95 L CA 1.669 56.340 54.840 -0.281 0.000 0.745 95 L CB -0.535 41.232 42.059 -0.488 0.000 0.892 95 L HN 0.177 nan 8.230 nan 0.000 0.431 96 I N 0.429 120.702 120.570 -0.494 0.000 2.163 96 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 96 I C 2.736 178.747 176.117 -0.177 0.000 1.085 96 I CA 1.529 62.586 61.300 -0.406 0.000 1.347 96 I CB -2.082 35.649 38.000 -0.449 0.000 1.044 96 I HN 0.436 nan 8.210 nan 0.000 0.408 97 A N 1.229 123.977 122.820 -0.120 0.000 1.841 97 A HA -0.188 4.131 4.320 -0.000 0.000 0.216 97 A C 2.651 180.199 177.584 -0.060 0.000 1.199 97 A CA 2.679 54.688 52.037 -0.047 0.000 0.621 97 A CB -1.203 17.780 19.000 -0.027 0.000 0.835 97 A HN 0.417 nan 8.150 nan 0.000 0.445 98 A N -0.154 122.618 122.820 -0.080 0.000 1.882 98 A HA -0.341 3.979 4.320 -0.000 0.000 0.220 98 A C 2.202 179.722 177.584 -0.106 0.000 1.253 98 A CA 2.820 54.807 52.037 -0.083 0.000 0.664 98 A CB -0.786 18.164 19.000 -0.083 0.000 0.838 98 A HN 0.500 nan 8.150 nan 0.000 0.460 99 K N -0.435 119.877 120.400 -0.147 0.000 2.052 99 K HA -0.269 4.050 4.320 -0.000 0.000 0.215 99 K C 1.736 178.229 176.600 -0.178 0.000 1.053 99 K CA 2.305 58.486 56.287 -0.176 0.000 0.934 99 K CB -0.587 31.780 32.500 -0.222 0.000 0.717 99 K HN 0.522 nan 8.250 nan 0.000 0.450 100 N N 1.102 119.735 118.700 -0.112 0.000 2.149 100 N HA -0.187 4.552 4.740 -0.000 0.000 0.188 100 N C 1.762 177.247 175.510 -0.042 0.000 1.019 100 N CA 1.435 54.457 53.050 -0.047 0.000 0.857 100 N CB -0.214 38.365 38.487 0.153 0.000 0.997 100 N HN 0.506 nan 8.380 nan 0.000 0.426 101 E N 0.498 120.675 120.200 -0.039 0.000 2.072 101 E HA -0.021 4.329 4.350 -0.000 0.000 0.190 101 E C 1.841 178.397 176.600 -0.073 0.000 0.982 101 E CA 0.876 57.259 56.400 -0.029 0.000 0.803 101 E CB -0.054 29.630 29.700 -0.026 0.000 0.755 101 E HN 0.266 nan 8.360 nan 0.000 0.453 102 A N 0.763 123.518 122.820 -0.109 0.000 1.908 102 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 102 A C 2.407 179.885 177.584 -0.176 0.000 1.181 102 A CA 1.671 53.629 52.037 -0.131 0.000 0.627 102 A CB -0.764 18.153 19.000 -0.138 0.000 0.818 102 A HN 0.239 nan 8.150 nan 0.000 0.445 103 V N -0.450 119.314 119.914 -0.251 0.000 2.358 103 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 103 V C 2.456 178.427 176.094 -0.205 0.000 1.047 103 V CA 1.800 63.900 62.300 -0.333 0.000 1.035 103 V CB -0.802 30.651 31.823 -0.617 0.000 0.658 103 V HN 0.555 nan 8.190 nan 0.000 0.452 104 L N 0.532 121.701 121.223 -0.091 0.000 2.042 104 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 104 L C 2.110 178.961 176.870 -0.031 0.000 1.076 104 L CA 2.004 56.879 54.840 0.058 0.000 0.749 104 L CB -0.991 41.140 42.059 0.121 0.000 0.893 104 L HN 0.316 nan 8.230 nan 0.000 0.432 105 D N -0.285 120.075 120.400 -0.068 0.000 2.106 105 D HA -0.229 4.411 4.640 -0.000 0.000 0.191 105 D C 2.306 178.526 176.300 -0.132 0.000 0.997 105 D CA 2.049 56.001 54.000 -0.081 0.000 0.834 105 D CB -0.207 40.545 40.800 -0.079 0.000 0.956 105 D HN 0.431 nan 8.370 nan 0.000 0.448 106 I N 1.084 121.525 120.570 -0.215 0.000 2.226 106 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 106 I C 2.114 177.950 176.117 -0.469 0.000 1.100 106 I CA 0.720 61.773 61.300 -0.412 0.000 1.374 106 I CB -0.325 37.372 38.000 -0.506 0.000 1.057 106 I HN -0.050 nan 8.210 nan 0.000 0.413 107 N N 1.467 120.006 118.700 -0.269 0.000 2.021 107 N HA -0.223 4.517 4.740 -0.000 0.000 0.198 107 N C 1.728 177.195 175.510 -0.072 0.000 1.041 107 N CA 1.637 54.604 53.050 -0.138 0.000 0.862 107 N CB -0.334 38.134 38.487 -0.031 0.000 1.048 107 N HN 0.422 nan 8.380 nan 0.000 0.427 108 K N 0.540 120.908 120.400 -0.053 0.000 1.978 108 K HA -0.101 4.218 4.320 -0.000 0.000 0.214 108 K C 2.149 178.760 176.600 0.019 0.000 1.049 108 K CA 1.475 57.752 56.287 -0.017 0.000 0.939 108 K CB -0.668 31.823 32.500 -0.016 0.000 0.721 108 K HN 0.132 nan 8.250 nan 0.000 0.441 109 S N 0.567 116.273 115.700 0.010 0.000 2.406 109 S HA -0.261 4.209 4.470 -0.000 0.000 0.242 109 S C 2.057 176.788 174.600 0.218 0.000 1.079 109 S CA 1.730 59.977 58.200 0.079 0.000 1.133 109 S CB -0.433 62.794 63.200 0.046 0.000 1.005 109 S HN 0.299 nan 8.310 nan 0.000 0.443 110 Y N 1.857 122.141 120.300 -0.026 0.000 2.314 110 Y HA 0.098 4.648 4.550 -0.000 0.000 0.293 110 Y C 2.574 178.530 175.900 0.093 0.000 1.129 110 Y CA 0.759 58.853 58.100 -0.010 0.000 1.201 110 Y CB -1.180 37.277 38.460 -0.005 0.000 0.999 110 Y HN 0.675 nan 8.280 nan 0.000 0.541 111 E N -0.282 120.045 120.200 0.213 0.000 2.051 111 E HA -0.147 4.202 4.350 -0.000 0.000 0.192 111 E C 2.562 179.249 176.600 0.146 0.000 0.991 111 E CA 1.429 57.903 56.400 0.124 0.000 0.799 111 E CB -0.671 29.020 29.700 -0.015 0.000 0.748 111 E HN 0.342 nan 8.360 nan 0.000 0.449 112 G N 0.922 109.787 108.800 0.109 0.000 2.476 112 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 112 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 112 G C 1.614 176.574 174.900 0.100 0.000 1.164 112 G CA 1.299 46.451 45.100 0.088 0.000 0.768 112 G HN 0.251 nan 8.290 nan 0.000 0.560 113 M N -0.618 119.041 119.600 0.097 0.000 2.080 113 M HA 0.044 4.524 4.480 -0.000 0.000 0.260 113 M C 2.306 178.633 176.300 0.044 0.000 1.068 113 M CA 1.236 56.573 55.300 0.063 0.000 1.109 113 M CB -0.341 32.239 32.600 -0.033 0.000 1.342 113 M HN 0.240 nan 8.290 nan 0.000 0.405 114 F N 0.855 120.834 119.950 0.049 0.000 2.031 114 F HA -0.256 4.271 4.527 -0.000 0.000 0.295 114 F C 2.330 178.137 175.800 0.011 0.000 1.133 114 F CA 1.551 59.566 58.000 0.025 0.000 1.188 114 F CB -1.007 37.984 39.000 -0.015 0.000 0.974 114 F HN 0.190 nan 8.300 nan 0.000 0.473 115 N N 0.351 119.178 118.700 0.212 0.000 2.096 115 N HA -0.214 4.526 4.740 -0.000 0.000 0.195 115 N C 1.231 176.787 175.510 0.076 0.000 1.017 115 N CA 1.973 55.090 53.050 0.112 0.000 0.870 115 N CB -0.713 37.822 38.487 0.079 0.000 1.024 115 N HN 0.312 nan 8.380 nan 0.000 0.434 116 D N -0.511 119.930 120.400 0.068 0.000 2.348 116 D HA 0.038 4.677 4.640 -0.000 0.000 0.211 116 D C 0.008 176.309 176.300 0.002 0.000 0.998 116 D CA 0.449 54.471 54.000 0.037 0.000 0.873 116 D CB 0.012 40.839 40.800 0.046 0.000 0.925 116 D HN 0.154 nan 8.370 nan 0.000 0.524 117 T N 1.070 115.615 114.554 -0.017 0.000 2.767 117 T HA 0.286 4.636 4.350 -0.000 0.000 0.288 117 T C 0.246 174.899 174.700 -0.078 0.000 0.963 117 T CA -0.588 61.443 62.100 -0.116 0.000 1.019 117 T CB 1.858 70.573 68.868 -0.254 0.000 0.923 117 T HN -0.090 nan 8.240 nan 0.000 0.468 118 E N 1.340 121.478 120.200 -0.103 0.000 2.316 118 E HA 0.427 4.777 4.350 -0.000 0.000 0.275 118 E C 1.082 177.638 176.600 -0.074 0.000 1.029 118 E CA 0.083 56.445 56.400 -0.064 0.000 0.871 118 E CB 0.583 30.244 29.700 -0.066 0.000 1.022 118 E HN 0.980 nan 8.360 nan 0.000 0.418 119 G N 3.015 111.811 108.800 -0.007 0.000 2.160 119 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 119 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 119 G C -0.409 174.522 174.900 0.050 0.000 1.022 119 G CA 0.114 45.230 45.100 0.026 0.000 0.741 119 G HN 0.354 nan 8.290 nan 0.000 0.508 120 L N 0.692 121.959 121.223 0.074 0.000 2.529 120 L HA 0.654 4.993 4.340 -0.000 0.000 0.260 120 L C -1.520 175.516 176.870 0.277 0.000 0.997 120 L CA -1.048 53.866 54.840 0.123 0.000 0.885 120 L CB 1.543 43.585 42.059 -0.029 0.000 1.185 120 L HN 0.011 nan 8.230 nan 0.000 0.442 121 D N 3.926 124.455 120.400 0.215 0.000 2.344 121 D HA 0.316 4.956 4.640 -0.000 0.000 0.239 121 D C -1.107 175.032 176.300 -0.269 0.000 1.064 121 D CA 0.177 54.188 54.000 0.018 0.000 0.829 121 D CB 1.740 42.590 40.800 0.084 0.000 1.129 121 D HN 0.302 nan 8.370 nan 0.000 0.506 122 F N 3.090 122.614 119.950 -0.709 0.000 2.408 122 F HA 0.530 5.057 4.527 -0.000 0.000 0.344 122 F C -1.300 173.914 175.800 -0.976 0.000 1.112 122 F CA -0.704 56.728 58.000 -0.946 0.000 1.096 122 F CB 0.494 38.673 39.000 -1.368 0.000 1.129 122 F HN 0.081 nan 8.300 nan 0.000 0.486 123 F N 6.913 126.138 119.950 -1.208 0.000 2.493 123 F HA 0.435 4.962 4.527 -0.000 0.000 0.329 123 F C -0.589 174.526 175.800 -1.141 0.000 1.126 123 F CA -1.042 56.407 58.000 -0.920 0.000 0.937 123 F CB 1.416 40.146 39.000 -0.451 0.000 1.146 123 F HN 0.322 nan 8.300 nan 0.000 0.442 124 L N 2.750 123.670 121.223 -0.505 0.000 2.453 124 L HA 0.807 5.147 4.340 -0.000 0.000 0.261 124 L C 0.459 177.229 176.870 -0.167 0.000 1.179 124 L CA 0.693 55.377 54.840 -0.260 0.000 0.813 124 L CB 0.517 42.569 42.059 -0.011 0.000 1.110 124 L HN 0.846 nan 8.230 nan 0.000 0.466 125 G N 1.887 110.573 108.800 -0.190 0.000 2.498 125 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.651 125 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.651 125 G C -1.720 173.014 174.900 -0.276 0.000 1.284 125 G CA -0.396 44.629 45.100 -0.124 0.000 0.950 125 G HN 0.673 nan 8.290 nan 0.000 0.511 126 W N 0.625 121.844 121.300 -0.134 0.000 2.391 126 W HA 0.614 5.274 4.660 -0.000 0.000 0.311 126 W C 0.730 177.182 176.519 -0.112 0.000 1.087 126 W CA 0.388 57.646 57.345 -0.145 0.000 1.209 126 W CB 1.820 31.184 29.460 -0.160 0.000 1.273 126 W HN 0.971 nan 8.180 nan 0.000 0.482 127 G N 1.613 110.444 108.800 0.051 0.000 2.410 127 G HA2 0.700 4.660 3.960 -0.000 0.000 0.330 127 G HA3 0.700 4.660 3.960 -0.000 0.000 0.330 127 G C -0.880 174.045 174.900 0.041 0.000 1.142 127 G CA -0.719 44.390 45.100 0.015 0.000 0.902 127 G HN 0.461 nan 8.290 nan 0.000 0.491 128 S N 0.036 115.748 115.700 0.020 0.000 2.543 128 S HA 0.389 4.859 4.470 -0.000 0.000 0.274 128 S C -1.298 173.306 174.600 0.005 0.000 1.149 128 S CA -0.872 57.339 58.200 0.018 0.000 0.866 128 S CB 1.471 64.681 63.200 0.017 0.000 1.111 128 S HN 0.426 nan 8.310 nan 0.000 0.457 129 L N 2.650 123.876 121.223 0.004 0.000 2.485 129 L HA 0.357 4.697 4.340 -0.000 0.000 0.279 129 L C 1.667 178.533 176.870 -0.006 0.000 1.124 129 L CA 0.602 55.442 54.840 -0.001 0.000 0.888 129 L CB -0.163 41.894 42.059 -0.003 0.000 1.217 129 L HN 0.993 nan 8.230 nan 0.000 0.464 130 E N 1.348 121.543 120.200 -0.009 0.000 2.158 130 E HA -0.012 4.338 4.350 -0.000 0.000 0.191 130 E C 0.230 176.823 176.600 -0.012 0.000 0.982 130 E CA 0.770 57.164 56.400 -0.011 0.000 0.823 130 E CB 0.566 30.258 29.700 -0.013 0.000 0.766 130 E HN 0.725 nan 8.360 nan 0.000 0.468 131 S N -1.951 113.741 115.700 -0.012 0.000 2.656 131 S HA 0.101 4.571 4.470 -0.000 0.000 0.265 131 S C 0.255 174.844 174.600 -0.019 0.000 1.110 131 S CA -0.466 57.724 58.200 -0.016 0.000 0.821 131 S CB 0.963 64.153 63.200 -0.016 0.000 1.099 131 S HN 0.036 nan 8.310 nan 0.000 0.471 132 K N 0.505 120.890 120.400 -0.025 0.000 2.242 132 K HA -0.161 4.158 4.320 -0.000 0.000 0.206 132 K C 0.740 177.316 176.600 -0.041 0.000 1.045 132 K CA 2.363 58.628 56.287 -0.037 0.000 0.930 132 K CB -0.462 32.014 32.500 -0.040 0.000 0.726 132 K HN 0.614 nan 8.250 nan 0.000 0.462 133 N N -0.962 117.722 118.700 -0.028 0.000 2.241 133 N HA 0.126 4.866 4.740 -0.000 0.000 0.238 133 N C -1.897 173.614 175.510 0.001 0.000 1.244 133 N CA -0.339 52.698 53.050 -0.022 0.000 0.880 133 N CB 1.711 40.181 38.487 -0.029 0.000 1.179 133 N HN -0.156 nan 8.380 nan 0.000 0.513 134 V N 0.864 120.778 119.914 0.001 0.000 2.623 134 V HA 0.474 4.594 4.120 -0.000 0.000 0.304 134 V C -0.582 175.515 176.094 0.005 0.000 1.054 134 V CA -0.873 61.432 62.300 0.009 0.000 0.882 134 V CB 2.088 33.910 31.823 -0.001 0.000 1.002 134 V HN -0.311 nan 8.190 nan 0.000 0.424 135 V N 4.924 124.844 119.914 0.009 0.000 2.495 135 V HA 0.577 4.696 4.120 -0.000 0.000 0.298 135 V C -0.360 175.719 176.094 -0.024 0.000 1.031 135 V CA -0.564 61.733 62.300 -0.005 0.000 0.871 135 V CB 2.175 33.997 31.823 -0.002 0.000 0.988 135 V HN 0.629 nan 8.190 nan 0.000 0.432 136 V N 5.609 125.506 119.914 -0.027 0.000 2.555 136 V HA 0.541 4.661 4.120 -0.000 0.000 0.302 136 V C -0.536 175.536 176.094 -0.037 0.000 1.038 136 V CA -0.420 61.857 62.300 -0.038 0.000 0.887 136 V CB 2.350 34.158 31.823 -0.026 0.000 0.991 136 V HN 0.591 nan 8.190 nan 0.000 0.434 137 V N 7.238 127.118 119.914 -0.057 0.000 2.350 137 V HA 0.520 4.640 4.120 -0.000 0.000 0.285 137 V C 0.221 176.309 176.094 -0.011 0.000 1.014 137 V CA -0.574 61.699 62.300 -0.046 0.000 0.831 137 V CB 1.477 33.232 31.823 -0.115 0.000 1.000 137 V HN 0.877 nan 8.190 nan 0.000 0.433 138 R N 2.550 123.079 120.500 0.049 0.000 2.603 138 R HA 0.532 4.872 4.340 -0.000 0.000 0.225 138 R C 0.756 177.136 176.300 0.134 0.000 1.300 138 R CA -0.708 55.427 56.100 0.059 0.000 1.075 138 R CB 1.193 31.508 30.300 0.025 0.000 1.663 138 R HN 0.566 nan 8.270 nan 0.000 0.546 139 E N -0.056 120.208 120.200 0.108 0.000 2.290 139 E HA 0.018 4.368 4.350 -0.000 0.000 0.197 139 E C 0.213 176.945 176.600 0.220 0.000 0.948 139 E CA 0.773 57.264 56.400 0.152 0.000 0.895 139 E CB 0.916 30.663 29.700 0.079 0.000 0.865 139 E HN 0.633 nan 8.360 nan 0.000 0.486 140 T N -3.938 110.611 114.554 -0.009 0.000 2.838 140 T HA 0.558 4.908 4.350 -0.000 0.000 0.292 140 T C 0.902 175.063 174.700 -0.899 0.000 1.113 140 T CA -0.168 61.662 62.100 -0.450 0.000 1.008 140 T CB 1.683 70.397 68.868 -0.258 0.000 1.259 140 T HN -0.124 nan 8.240 nan 0.000 0.520 141 A N 0.100 121.963 122.820 -1.594 0.000 2.019 141 A HA 0.090 4.409 4.320 -0.000 0.000 0.219 141 A C 1.099 178.391 177.584 -0.486 0.000 1.164 141 A CA 0.953 52.295 52.037 -1.159 0.000 0.644 141 A CB -1.062 17.111 19.000 -1.378 0.000 0.805 141 A HN 0.869 nan 8.150 nan 0.000 0.449 142 D N 0.702 120.869 120.400 -0.387 0.000 2.502 142 D HA 0.044 4.684 4.640 -0.000 0.000 0.249 142 D C -1.844 174.369 176.300 -0.145 0.000 1.188 142 D CA -1.397 52.475 54.000 -0.213 0.000 0.890 142 D CB 0.845 41.546 40.800 -0.166 0.000 1.140 142 D HN 0.180 nan 8.370 nan 0.000 0.505 143 P HA -0.023 nan 4.420 nan 0.000 0.285 143 P C 0.360 177.627 177.300 -0.055 0.000 1.521 143 P CA 0.511 63.569 63.100 -0.069 0.000 0.792 143 P CB 0.094 31.762 31.700 -0.055 0.000 1.613 144 K N -0.685 119.678 120.400 -0.061 0.000 2.562 144 K HA 0.092 4.412 4.320 -0.000 0.000 0.218 144 K C 0.556 177.130 176.600 -0.043 0.000 1.374 144 K CA 0.071 56.330 56.287 -0.047 0.000 0.996 144 K CB 0.848 33.319 32.500 -0.048 0.000 1.127 144 K HN 0.118 nan 8.250 nan 0.000 0.603 145 S N 0.590 116.259 115.700 -0.052 0.000 2.634 145 S HA 0.484 4.954 4.470 -0.000 0.000 0.261 145 S C 0.368 174.955 174.600 -0.022 0.000 1.271 145 S CA -0.586 57.590 58.200 -0.039 0.000 0.985 145 S CB 1.177 64.345 63.200 -0.054 0.000 0.968 145 S HN 0.234 nan 8.310 nan 0.000 0.568 146 A N 1.150 123.964 122.820 -0.010 0.000 2.573 146 A HA 0.358 4.678 4.320 -0.000 0.000 0.250 146 A C 0.401 177.984 177.584 -0.002 0.000 1.049 146 A CA -0.443 51.593 52.037 -0.003 0.000 0.767 146 A CB -0.914 18.090 19.000 0.007 0.000 0.965 146 A HN 0.769 nan 8.150 nan 0.000 0.514 147 V N 3.754 123.662 119.914 -0.009 0.000 2.963 147 V HA 0.065 4.185 4.120 -0.000 0.000 0.306 147 V C 1.393 177.478 176.094 -0.016 0.000 1.077 147 V CA 0.516 62.807 62.300 -0.015 0.000 1.124 147 V CB 1.087 32.896 31.823 -0.023 0.000 0.987 147 V HN 1.097 nan 8.190 nan 0.000 0.487 148 K N 0.521 120.902 120.400 -0.031 0.000 2.410 148 K HA 0.259 4.579 4.320 -0.000 0.000 0.204 148 K C -0.055 176.491 176.600 -0.089 0.000 1.268 148 K CA 0.135 56.397 56.287 -0.041 0.000 0.896 148 K CB 0.704 33.186 32.500 -0.029 0.000 1.401 148 K HN 0.814 nan 8.250 nan 0.000 0.479 149 E N 0.577 120.695 120.200 -0.136 0.000 2.433 149 E HA 0.304 4.654 4.350 -0.000 0.000 0.278 149 E C -1.184 175.326 176.600 -0.151 0.000 0.976 149 E CA -0.742 55.541 56.400 -0.194 0.000 0.793 149 E CB 1.856 31.309 29.700 -0.413 0.000 1.311 149 E HN 0.092 nan 8.360 nan 0.000 0.460 150 R N 1.094 121.518 120.500 -0.127 0.000 2.451 150 R HA 0.559 4.899 4.340 -0.000 0.000 0.307 150 R C -0.465 175.809 176.300 -0.044 0.000 0.965 150 R CA -0.572 55.483 56.100 -0.075 0.000 0.865 150 R CB 0.973 31.246 30.300 -0.046 0.000 1.174 150 R HN 0.286 nan 8.270 nan 0.000 0.455 151 L N 4.157 125.370 121.223 -0.016 0.000 2.294 151 L HA 0.309 4.648 4.340 -0.000 0.000 0.283 151 L C 0.558 177.492 176.870 0.107 0.000 1.015 151 L CA -0.927 53.970 54.840 0.094 0.000 0.831 151 L CB 1.323 43.418 42.059 0.059 0.000 1.217 151 L HN 0.544 nan 8.230 nan 0.000 0.420 152 Q N 2.822 122.695 119.800 0.121 0.000 2.312 152 Q HA 0.802 5.142 4.340 -0.000 0.000 0.236 152 Q C -0.757 175.335 176.000 0.154 0.000 0.965 152 Q CA -0.719 55.137 55.803 0.088 0.000 0.894 152 Q CB 2.403 31.166 28.738 0.042 0.000 1.225 152 Q HN 0.639 nan 8.270 nan 0.000 0.478 153 A N 1.309 124.195 122.820 0.110 0.000 2.540 153 A HA 0.343 4.662 4.320 -0.000 0.000 0.297 153 A C -0.933 176.693 177.584 0.070 0.000 1.056 153 A CA -0.683 51.444 52.037 0.149 0.000 0.700 153 A CB 1.637 20.729 19.000 0.154 0.000 1.280 153 A HN 0.741 nan 8.150 nan 0.000 0.398 154 D N 0.490 120.939 120.400 0.081 0.000 2.194 154 D HA 0.075 4.714 4.640 -0.000 0.000 0.204 154 D C 0.114 176.204 176.300 -0.351 0.000 0.964 154 D CA 1.678 55.610 54.000 -0.113 0.000 0.846 154 D CB 0.096 40.868 40.800 -0.047 0.000 0.962 154 D HN 0.583 nan 8.370 nan 0.000 0.490 155 H N -0.858 118.319 119.070 0.178 0.000 2.771 155 H HA 0.467 5.023 4.556 -0.000 0.000 0.361 155 H C -0.607 174.823 175.328 0.170 0.000 1.108 155 H CA -0.629 55.534 56.048 0.191 0.000 1.201 155 H CB 1.746 31.740 29.762 0.387 0.000 1.681 155 H HN -0.137 nan 8.280 nan 0.000 0.534 156 I N 2.886 123.560 120.570 0.174 0.000 2.569 156 I HA 0.190 4.360 4.170 -0.000 0.000 0.296 156 I C -0.940 175.285 176.117 0.180 0.000 1.028 156 I CA -0.938 60.445 61.300 0.138 0.000 1.082 156 I CB 2.497 40.522 38.000 0.042 0.000 1.264 156 I HN 0.154 nan 8.210 nan 0.000 0.429 157 L N 6.978 128.319 121.223 0.197 0.000 2.376 157 L HA 0.513 4.853 4.340 -0.000 0.000 0.275 157 L C -1.222 175.735 176.870 0.144 0.000 0.987 157 L CA -0.370 54.603 54.840 0.222 0.000 0.828 157 L CB 1.501 43.713 42.059 0.255 0.000 1.249 157 L HN 0.423 nan 8.230 nan 0.000 0.409 158 L N 5.973 127.276 121.223 0.134 0.000 2.268 158 L HA 0.644 4.983 4.340 -0.000 0.000 0.289 158 L C 0.317 177.252 176.870 0.109 0.000 1.064 158 L CA -0.235 54.665 54.840 0.101 0.000 0.824 158 L CB 1.010 43.120 42.059 0.085 0.000 1.202 158 L HN 0.868 nan 8.230 nan 0.000 0.433 159 A N 1.444 124.324 122.820 0.100 0.000 3.415 159 A HA 0.344 4.664 4.320 -0.000 0.000 0.244 159 A C 0.702 178.346 177.584 0.100 0.000 0.988 159 A CA -0.318 51.783 52.037 0.107 0.000 0.991 159 A CB 0.018 19.088 19.000 0.117 0.000 1.240 159 A HN 0.678 nan 8.150 nan 0.000 0.541 160 T N -3.299 111.312 114.554 0.095 0.000 3.001 160 T HA 0.511 4.860 4.350 -0.000 0.000 0.251 160 T C 1.263 176.036 174.700 0.122 0.000 1.040 160 T CA 0.882 63.033 62.100 0.085 0.000 0.985 160 T CB 0.361 69.268 68.868 0.066 0.000 1.011 160 T HN 2.079 nan 8.240 nan 0.000 0.509 161 G N 1.727 110.609 108.800 0.138 0.000 2.466 161 G HA2 0.060 4.020 3.960 -0.000 0.000 0.218 161 G HA3 0.060 4.020 3.960 -0.000 0.000 0.218 161 G C -0.332 174.682 174.900 0.191 0.000 1.237 161 G CA -0.361 44.841 45.100 0.169 0.000 0.954 161 G HN 1.205 nan 8.290 nan 0.000 0.580 162 S N -1.191 114.652 115.700 0.238 0.000 2.745 162 S HA 0.843 5.313 4.470 -0.000 0.000 0.306 162 S C -0.931 173.926 174.600 0.428 0.000 1.137 162 S CA -0.334 58.029 58.200 0.272 0.000 0.900 162 S CB 2.685 66.011 63.200 0.210 0.000 1.176 162 S HN 1.333 nan 8.310 nan 0.000 0.520 163 W N 0.863 122.226 121.300 0.105 0.000 3.032 163 W HA 0.421 5.081 4.660 -0.000 0.000 0.335 163 W C -3.262 173.304 176.519 0.079 0.000 1.154 163 W CA -2.431 54.975 57.345 0.103 0.000 1.204 163 W CB 1.986 31.512 29.460 0.111 0.000 1.416 163 W HN 0.438 nan 8.180 nan 0.000 0.521 164 P HA -0.041 nan 4.420 nan 0.000 0.268 164 P C -0.889 176.395 177.300 -0.026 0.000 1.205 164 P CA 0.521 63.508 63.100 -0.187 0.000 0.771 164 P CB 0.579 32.069 31.700 -0.349 0.000 0.858 165 Q N 3.121 122.933 119.800 0.020 0.000 2.243 165 Q HA 0.525 4.864 4.340 -0.000 0.000 0.252 165 Q C -1.104 174.914 176.000 0.029 0.000 0.909 165 Q CA -0.508 55.331 55.803 0.060 0.000 0.922 165 Q CB 0.757 29.539 28.738 0.074 0.000 1.215 165 Q HN 0.260 nan 8.270 nan 0.000 0.427 166 M N 4.296 123.923 119.600 0.044 0.000 2.197 166 M HA 0.431 4.910 4.480 -0.000 0.000 0.301 166 M C -2.488 173.826 176.300 0.024 0.000 0.987 166 M CA -2.181 53.132 55.300 0.021 0.000 0.921 166 M CB 1.226 33.842 32.600 0.026 0.000 1.569 166 M HN 0.649 nan 8.290 nan 0.000 0.431 167 P HA 0.335 nan 4.420 nan 0.000 0.274 167 P C -0.454 176.848 177.300 0.005 0.000 1.231 167 P CA -0.515 62.591 63.100 0.010 0.000 0.790 167 P CB 0.496 32.198 31.700 0.002 0.000 0.951 168 A N 3.180 126.005 122.820 0.008 0.000 2.981 168 A HA 0.376 4.696 4.320 -0.000 0.000 0.280 168 A C 0.555 178.136 177.584 -0.005 0.000 1.797 168 A CA -0.226 51.813 52.037 0.003 0.000 1.456 168 A CB -1.822 17.182 19.000 0.008 0.000 1.057 168 A HN 0.564 nan 8.150 nan 0.000 0.602 169 I N -1.868 118.694 120.570 -0.013 0.000 2.689 169 I HA 0.640 4.809 4.170 -0.000 0.000 0.299 169 I C -2.997 173.108 176.117 -0.021 0.000 1.059 169 I CA -3.164 58.125 61.300 -0.020 0.000 1.055 169 I CB 2.030 40.011 38.000 -0.032 0.000 1.243 169 I HN -0.012 nan 8.210 nan 0.000 0.425 170 P HA 0.160 nan 4.420 nan 0.000 0.258 170 P C 0.687 177.987 177.300 0.000 0.000 1.187 170 P CA 0.956 64.052 63.100 -0.007 0.000 0.767 170 P CB 0.434 32.136 31.700 0.002 0.000 0.770 171 G N 3.614 112.406 108.800 -0.013 0.000 2.160 171 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.244 171 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.244 171 G C 0.769 175.649 174.900 -0.032 0.000 1.022 171 G CA -0.002 45.101 45.100 0.005 0.000 0.741 171 G HN 0.527 nan 8.290 nan 0.000 0.508 172 I N 1.660 122.195 120.570 -0.057 0.000 2.361 172 I HA -0.082 4.088 4.170 -0.000 0.000 0.251 172 I C 2.559 178.630 176.117 -0.078 0.000 1.133 172 I CA 2.137 63.407 61.300 -0.051 0.000 1.413 172 I CB -0.214 37.765 38.000 -0.035 0.000 1.073 172 I HN 0.525 nan 8.210 nan 0.000 0.424 173 E N -0.706 119.399 120.200 -0.159 0.000 2.401 173 E HA -0.258 4.092 4.350 -0.000 0.000 0.199 173 E C 1.225 177.689 176.600 -0.228 0.000 1.023 173 E CA 1.267 57.544 56.400 -0.205 0.000 0.859 173 E CB -0.911 28.629 29.700 -0.268 0.000 0.780 173 E HN 0.601 nan 8.360 nan 0.000 0.523 174 H N -0.154 118.907 119.070 -0.015 0.000 2.539 174 H HA 0.197 4.752 4.556 -0.000 0.000 0.269 174 H C 0.428 175.733 175.328 -0.037 0.000 0.980 174 H CA -0.171 55.864 56.048 -0.022 0.000 1.152 174 H CB 0.004 29.751 29.762 -0.025 0.000 1.407 174 H HN 0.137 nan 8.280 nan 0.000 0.564 175 C N 1.975 121.297 119.300 0.037 0.000 2.351 175 C HA 0.483 4.943 4.460 -0.000 0.000 0.359 175 C C 1.438 176.411 174.990 -0.028 0.000 1.193 175 C CA -0.888 58.124 59.018 -0.011 0.000 2.270 175 C CB 0.865 28.583 27.740 -0.036 0.000 2.369 175 C HN 0.408 nan 8.230 nan 0.000 0.553 176 I N 0.636 121.171 120.570 -0.059 0.000 3.573 176 I HA 0.871 5.041 4.170 -0.000 0.000 0.285 176 I C 0.144 176.177 176.117 -0.140 0.000 1.203 176 I CA -0.248 61.000 61.300 -0.085 0.000 1.033 176 I CB 1.664 39.618 38.000 -0.076 0.000 1.348 176 I HN 0.710 nan 8.210 nan 0.000 0.525 177 S N -0.431 115.146 115.700 -0.206 0.000 2.911 177 S HA 0.382 4.852 4.470 -0.000 0.000 0.319 177 S C 0.709 175.090 174.600 -0.365 0.000 1.154 177 S CA 0.034 58.070 58.200 -0.274 0.000 0.857 177 S CB 0.919 63.934 63.200 -0.309 0.000 1.279 177 S HN 0.777 nan 8.310 nan 0.000 0.593 178 S N 1.559 117.008 115.700 -0.417 0.000 2.382 178 S HA -0.152 4.318 4.470 -0.000 0.000 0.228 178 S C 1.575 176.010 174.600 -0.275 0.000 1.027 178 S CA 1.265 59.136 58.200 -0.547 0.000 0.991 178 S CB -1.108 61.914 63.200 -0.298 0.000 0.823 178 S HN 0.654 nan 8.310 nan 0.000 0.469 179 N N 2.153 120.711 118.700 -0.236 0.000 2.036 179 N HA -0.167 4.572 4.740 -0.000 0.000 0.199 179 N C 1.658 177.095 175.510 -0.121 0.000 1.036 179 N CA 2.046 54.933 53.050 -0.271 0.000 0.870 179 N CB -0.602 37.343 38.487 -0.903 0.000 1.055 179 N HN 0.527 nan 8.380 nan 0.000 0.436 180 E N 0.255 120.323 120.200 -0.219 0.000 2.285 180 E HA 0.122 4.472 4.350 -0.000 0.000 0.194 180 E C 1.843 178.535 176.600 0.153 0.000 0.997 180 E CA 0.696 57.140 56.400 0.074 0.000 0.845 180 E CB -0.253 29.455 29.700 0.013 0.000 0.782 180 E HN 0.387 nan 8.360 nan 0.000 0.491 181 A N 0.319 123.101 122.820 -0.064 0.000 1.902 181 A HA -0.167 4.152 4.320 -0.000 0.000 0.217 181 A C 1.609 179.228 177.584 0.058 0.000 1.181 181 A CA 1.060 53.047 52.037 -0.082 0.000 0.623 181 A CB -0.828 17.826 19.000 -0.577 0.000 0.818 181 A HN 0.268 nan 8.150 nan 0.000 0.443 182 F N -2.040 117.927 119.950 0.028 0.000 2.583 182 F HA -0.092 4.435 4.527 -0.000 0.000 0.297 182 F C 0.997 176.494 175.800 -0.506 0.000 1.131 182 F CA 1.009 58.834 58.000 -0.291 0.000 1.467 182 F CB -0.363 38.267 39.000 -0.616 0.000 1.097 182 F HN 0.358 nan 8.300 nan 0.000 0.586 183 Y N -1.581 118.956 120.300 0.394 0.000 2.672 183 Y HA 0.320 4.870 4.550 -0.000 0.000 0.252 183 Y C 0.393 176.484 175.900 0.318 0.000 1.132 183 Y CA -1.175 57.119 58.100 0.323 0.000 1.228 183 Y CB -0.422 38.225 38.460 0.311 0.000 1.310 183 Y HN -0.266 nan 8.280 nan 0.000 0.549 184 L N 4.572 126.083 121.223 0.479 0.000 2.667 184 L HA -0.075 4.265 4.340 -0.000 0.000 0.278 184 L C -1.083 176.076 176.870 0.481 0.000 1.217 184 L CA -0.656 54.428 54.840 0.407 0.000 0.935 184 L CB 0.530 42.789 42.059 0.334 0.000 1.193 184 L HN 0.038 nan 8.230 nan 0.000 0.493 185 P HA -0.126 nan 4.420 nan 0.000 0.220 185 P C -0.072 177.422 177.300 0.323 0.000 1.148 185 P CA 1.135 64.405 63.100 0.284 0.000 0.803 185 P CB 0.183 31.988 31.700 0.175 0.000 0.782 186 E N -0.242 120.085 120.200 0.212 0.000 2.369 186 E HA 0.529 4.878 4.350 -0.000 0.000 0.270 186 E C -3.014 173.402 176.600 -0.306 0.000 0.909 186 E CA -3.066 53.388 56.400 0.090 0.000 0.775 186 E CB 1.559 31.288 29.700 0.048 0.000 1.270 186 E HN -0.164 nan 8.360 nan 0.000 0.445 187 P HA 0.202 nan 4.420 nan 0.000 0.282 187 P C -2.394 174.615 177.300 -0.485 0.000 1.262 187 P CA -1.508 61.047 63.100 -0.908 0.000 0.773 187 P CB 0.200 31.569 31.700 -0.552 0.000 0.879 188 P HA 0.127 nan 4.420 nan 0.000 0.268 188 P C 0.802 177.926 177.300 -0.293 0.000 1.204 188 P CA 0.013 62.868 63.100 -0.408 0.000 0.768 188 P CB 1.278 32.631 31.700 -0.579 0.000 0.842 189 R N 2.730 123.113 120.500 -0.195 0.000 2.052 189 R HA 0.039 4.379 4.340 -0.000 0.000 0.224 189 R C 0.484 176.713 176.300 -0.118 0.000 1.149 189 R CA 0.780 56.805 56.100 -0.124 0.000 0.962 189 R CB 0.211 30.459 30.300 -0.086 0.000 0.856 189 R HN 0.454 nan 8.270 nan 0.000 0.433 190 R N 0.216 120.641 120.500 -0.125 0.000 2.338 190 R HA 0.374 4.714 4.340 -0.000 0.000 0.317 190 R C -1.379 174.819 176.300 -0.171 0.000 0.968 190 R CA -0.386 55.646 56.100 -0.114 0.000 0.849 190 R CB 2.556 32.813 30.300 -0.073 0.000 1.128 190 R HN -0.022 nan 8.270 nan 0.000 0.448 191 V N 4.813 124.622 119.914 -0.175 0.000 2.656 191 V HA 0.481 4.600 4.120 -0.000 0.000 0.307 191 V C -1.549 174.483 176.094 -0.102 0.000 1.051 191 V CA -1.087 61.076 62.300 -0.228 0.000 0.893 191 V CB 1.994 33.527 31.823 -0.484 0.000 0.999 191 V HN 0.581 nan 8.190 nan 0.000 0.426 192 L N 6.587 127.760 121.223 -0.084 0.000 2.280 192 L HA 0.735 5.075 4.340 -0.000 0.000 0.287 192 L C 0.186 177.054 176.870 -0.003 0.000 1.023 192 L CA 0.358 55.192 54.840 -0.010 0.000 0.819 192 L CB 1.647 43.712 42.059 0.010 0.000 1.212 192 L HN 0.889 nan 8.230 nan 0.000 0.420 193 T N 2.745 117.329 114.554 0.049 0.000 2.795 193 T HA 0.653 5.002 4.350 -0.000 0.000 0.282 193 T C -0.423 174.316 174.700 0.065 0.000 0.980 193 T CA -0.661 61.474 62.100 0.057 0.000 1.012 193 T CB 1.107 70.041 68.868 0.110 0.000 0.936 193 T HN 0.351 nan 8.240 nan 0.000 0.457 194 V N 3.472 123.411 119.914 0.042 0.000 2.328 194 V HA 0.837 4.956 4.120 -0.000 0.000 0.278 194 V C 0.788 176.927 176.094 0.075 0.000 1.021 194 V CA -0.008 62.335 62.300 0.073 0.000 0.838 194 V CB 0.225 32.070 31.823 0.037 0.000 0.999 194 V HN 1.478 nan 8.190 nan 0.000 0.447 195 G N 3.058 111.938 108.800 0.133 0.000 2.318 195 G HA2 0.381 4.341 3.960 -0.000 0.000 0.302 195 G HA3 0.381 4.341 3.960 -0.000 0.000 0.302 195 G C 0.200 175.123 174.900 0.039 0.000 1.633 195 G CA -0.239 44.943 45.100 0.137 0.000 0.965 195 G HN 0.892 nan 8.290 nan 0.000 0.698 196 G N -0.484 108.215 108.800 -0.168 0.000 3.042 196 G HA2 0.538 4.497 3.960 -0.000 0.000 0.212 196 G HA3 0.538 4.497 3.960 -0.000 0.000 0.212 196 G C 0.944 175.657 174.900 -0.312 0.000 1.166 196 G CA 1.239 45.971 45.100 -0.614 0.000 0.767 196 G HN 1.218 nan 8.290 nan 0.000 0.546 197 G N 0.020 108.746 108.800 -0.123 0.000 2.531 197 G HA2 0.400 4.359 3.960 -0.000 0.000 0.281 197 G HA3 0.400 4.359 3.960 -0.000 0.000 0.281 197 G C 0.821 175.734 174.900 0.022 0.000 1.382 197 G CA -0.255 44.858 45.100 0.023 0.000 1.045 197 G HN 0.208 nan 8.290 nan 0.000 0.533 198 F N -0.800 119.178 119.950 0.047 0.000 2.234 198 F HA 0.046 4.573 4.527 -0.000 0.000 0.299 198 F C 2.110 177.946 175.800 0.060 0.000 1.087 198 F CA 0.918 58.930 58.000 0.020 0.000 1.340 198 F CB -0.593 38.454 39.000 0.078 0.000 1.031 198 F HN 0.173 nan 8.300 nan 0.000 0.500 199 I N 0.264 120.415 120.570 -0.698 0.000 2.142 199 I HA -0.261 3.909 4.170 -0.000 0.000 0.240 199 I C 2.858 178.958 176.117 -0.028 0.000 1.078 199 I CA 1.632 62.701 61.300 -0.385 0.000 1.343 199 I CB -0.945 36.775 38.000 -0.467 0.000 1.046 199 I HN 0.360 nan 8.210 nan 0.000 0.405 200 S N 0.547 116.213 115.700 -0.058 0.000 2.368 200 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 200 S C 2.073 176.698 174.600 0.042 0.000 1.030 200 S CA 1.333 59.543 58.200 0.016 0.000 0.999 200 S CB -0.228 62.970 63.200 -0.003 0.000 0.844 200 S HN 0.228 nan 8.310 nan 0.000 0.459 201 V N 1.498 121.411 119.914 -0.003 0.000 2.358 201 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 201 V C 2.425 178.519 176.094 -0.001 0.000 1.047 201 V CA 1.955 64.248 62.300 -0.012 0.000 1.035 201 V CB -0.736 31.054 31.823 -0.054 0.000 0.658 201 V HN 0.505 nan 8.190 nan 0.000 0.452 202 E N -0.545 119.657 120.200 0.003 0.000 2.072 202 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 202 E C 2.067 178.557 176.600 -0.183 0.000 0.985 202 E CA 1.244 57.612 56.400 -0.053 0.000 0.801 202 E CB -0.166 29.519 29.700 -0.025 0.000 0.750 202 E HN 0.579 nan 8.360 nan 0.000 0.452 203 F N 0.874 120.724 119.950 -0.167 0.000 2.259 203 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 203 F C 2.336 178.008 175.800 -0.214 0.000 1.088 203 F CA 0.859 58.661 58.000 -0.329 0.000 1.358 203 F CB -0.354 38.420 39.000 -0.375 0.000 1.040 203 F HN 0.001 nan 8.300 nan 0.000 0.505 204 A N 0.375 123.264 122.820 0.116 0.000 1.873 204 A HA -0.198 4.121 4.320 -0.000 0.000 0.218 204 A C 2.567 180.203 177.584 0.087 0.000 1.193 204 A CA 2.170 54.291 52.037 0.140 0.000 0.629 204 A CB -1.633 17.416 19.000 0.082 0.000 0.826 204 A HN 0.411 nan 8.150 nan 0.000 0.447 205 G N -0.371 108.437 108.800 0.014 0.000 2.404 205 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.215 205 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.215 205 G C 1.551 176.461 174.900 0.017 0.000 1.174 205 G CA 0.987 46.090 45.100 0.005 0.000 0.780 205 G HN 0.467 nan 8.290 nan 0.000 0.537 206 I N 0.039 120.570 120.570 -0.066 0.000 2.087 206 I HA -0.250 3.919 4.170 -0.000 0.000 0.240 206 I C 2.558 178.776 176.117 0.169 0.000 1.054 206 I CA 1.478 62.762 61.300 -0.028 0.000 1.311 206 I CB -0.361 37.422 38.000 -0.360 0.000 1.024 206 I HN 0.079 nan 8.210 nan 0.000 0.402 207 F N 0.807 120.865 119.950 0.181 0.000 2.186 207 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 207 F C 2.339 178.186 175.800 0.079 0.000 1.090 207 F CA 1.468 59.534 58.000 0.109 0.000 1.307 207 F CB -1.251 37.762 39.000 0.022 0.000 1.019 207 F HN 0.152 nan 8.300 nan 0.000 0.489 208 N N 0.541 119.379 118.700 0.229 0.000 2.104 208 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 208 N C 1.845 177.401 175.510 0.076 0.000 1.024 208 N CA 1.541 54.661 53.050 0.117 0.000 0.853 208 N CB -0.352 38.174 38.487 0.066 0.000 1.008 208 N HN 0.197 nan 8.380 nan 0.000 0.424 209 A N -0.933 121.928 122.820 0.068 0.000 1.873 209 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 209 A C 1.696 179.225 177.584 -0.092 0.000 1.186 209 A CA 1.144 53.148 52.037 -0.055 0.000 0.616 209 A CB -0.927 17.988 19.000 -0.142 0.000 0.823 209 A HN 0.483 nan 8.150 nan 0.000 0.442 210 Y N 0.876 121.279 120.300 0.172 0.000 2.490 210 Y HA 0.082 4.632 4.550 -0.000 0.000 0.281 210 Y C 0.968 176.925 175.900 0.095 0.000 1.174 210 Y CA 0.430 58.657 58.100 0.211 0.000 1.295 210 Y CB -0.060 38.675 38.460 0.459 0.000 1.062 210 Y HN 0.367 nan 8.280 nan 0.000 0.522 211 K N 1.735 122.214 120.400 0.132 0.000 2.436 211 K HA 0.148 4.467 4.320 -0.000 0.000 0.275 211 K C -2.671 173.948 176.600 0.032 0.000 0.999 211 K CA -1.550 54.760 56.287 0.038 0.000 0.980 211 K CB 0.022 32.531 32.500 0.014 0.000 0.919 211 K HN -0.066 nan 8.250 nan 0.000 0.484 212 P HA 0.140 nan 4.420 nan 0.000 0.286 212 P C -2.112 175.193 177.300 0.009 0.000 1.293 212 P CA -1.532 61.579 63.100 0.017 0.000 0.770 212 P CB -0.180 31.521 31.700 0.001 0.000 1.206 213 P HA -0.042 nan 4.420 nan 0.000 0.216 213 P C 1.398 178.699 177.300 0.002 0.000 1.153 213 P CA 1.721 64.827 63.100 0.011 0.000 0.848 213 P CB -0.501 31.208 31.700 0.015 0.000 0.787 214 G N -0.521 108.277 108.800 -0.005 0.000 3.155 214 G HA2 0.133 4.092 3.960 -0.000 0.000 0.213 214 G HA3 0.133 4.092 3.960 -0.000 0.000 0.213 214 G C 0.725 175.616 174.900 -0.015 0.000 1.196 214 G CA 0.021 45.116 45.100 -0.009 0.000 0.846 214 G HN 0.352 nan 8.290 nan 0.000 0.516 215 G N -0.168 108.622 108.800 -0.015 0.000 2.467 215 G HA2 0.467 4.427 3.960 -0.000 0.000 0.257 215 G HA3 0.467 4.427 3.960 -0.000 0.000 0.257 215 G C -0.543 174.344 174.900 -0.021 0.000 1.227 215 G CA -0.459 44.626 45.100 -0.025 0.000 0.835 215 G HN 0.256 nan 8.290 nan 0.000 0.556 216 K N 1.099 121.481 120.400 -0.030 0.000 2.471 216 K HA 0.505 4.825 4.320 -0.000 0.000 0.252 216 K C -1.002 175.584 176.600 -0.022 0.000 0.938 216 K CA -0.539 55.736 56.287 -0.021 0.000 0.796 216 K CB 2.041 34.529 32.500 -0.021 0.000 1.161 216 K HN 0.272 nan 8.250 nan 0.000 0.425 217 V N 3.675 123.588 119.914 -0.001 0.000 2.394 217 V HA 0.501 4.620 4.120 -0.000 0.000 0.282 217 V C -0.505 175.602 176.094 0.021 0.000 1.031 217 V CA -0.522 61.789 62.300 0.019 0.000 0.881 217 V CB 1.721 33.591 31.823 0.078 0.000 0.982 217 V HN 0.870 nan 8.190 nan 0.000 0.451 218 T N 6.288 120.857 114.554 0.025 0.000 2.812 218 T HA 0.573 4.922 4.350 -0.000 0.000 0.282 218 T C -0.674 174.060 174.700 0.057 0.000 0.990 218 T CA -0.284 61.836 62.100 0.033 0.000 0.960 218 T CB 1.421 70.311 68.868 0.036 0.000 0.948 218 T HN 0.509 nan 8.240 nan 0.000 0.438 219 L N 4.242 125.498 121.223 0.054 0.000 2.322 219 L HA 0.796 5.136 4.340 -0.000 0.000 0.281 219 L C -0.247 176.676 176.870 0.087 0.000 1.014 219 L CA -0.587 54.297 54.840 0.073 0.000 0.815 219 L CB 0.517 42.609 42.059 0.054 0.000 1.247 219 L HN 0.965 nan 8.230 nan 0.000 0.421 220 C N 2.850 122.232 119.300 0.137 0.000 2.614 220 C HA 0.782 5.242 4.460 -0.000 0.000 0.320 220 C C -0.940 174.196 174.990 0.243 0.000 1.200 220 C CA -0.928 58.192 59.018 0.169 0.000 1.700 220 C CB 1.147 29.052 27.740 0.275 0.000 2.275 220 C HN 0.846 nan 8.230 nan 0.000 0.492 221 Y N 2.251 122.583 120.300 0.053 0.000 2.482 221 Y HA 0.484 5.033 4.550 -0.000 0.000 0.334 221 Y C 1.098 177.023 175.900 0.043 0.000 1.091 221 Y CA -0.787 57.341 58.100 0.047 0.000 1.027 221 Y CB 1.288 39.767 38.460 0.032 0.000 1.306 221 Y HN 0.954 nan 8.280 nan 0.000 0.446 222 R N 2.333 122.457 120.500 -0.627 0.000 2.148 222 R HA 0.009 4.349 4.340 -0.000 0.000 0.227 222 R C -0.811 175.190 176.300 -0.498 0.000 1.103 222 R CA 1.338 57.178 56.100 -0.432 0.000 0.983 222 R CB -0.267 29.866 30.300 -0.277 0.000 0.874 222 R HN 0.705 nan 8.270 nan 0.000 0.451 223 N N -0.369 117.789 118.700 -0.903 0.000 2.776 223 N HA 0.141 4.880 4.740 -0.000 0.000 0.319 223 N C 0.070 175.498 175.510 -0.137 0.000 1.316 223 N CA -0.859 51.937 53.050 -0.424 0.000 0.890 223 N CB 0.461 38.757 38.487 -0.319 0.000 1.165 223 N HN -0.071 nan 8.380 nan 0.000 0.596 224 N N -0.288 118.427 118.700 0.025 0.000 2.333 224 N HA 0.057 4.797 4.740 -0.000 0.000 0.178 224 N C -0.807 174.789 175.510 0.144 0.000 1.018 224 N CA 0.739 53.830 53.050 0.069 0.000 0.882 224 N CB 0.150 38.661 38.487 0.041 0.000 0.984 224 N HN 0.223 nan 8.380 nan 0.000 0.434 225 L N 1.529 122.892 121.223 0.233 0.000 2.410 225 L HA 0.469 4.809 4.340 -0.000 0.000 0.270 225 L C -0.343 176.609 176.870 0.135 0.000 0.983 225 L CA -0.965 53.976 54.840 0.168 0.000 0.822 225 L CB 1.449 43.564 42.059 0.094 0.000 1.285 225 L HN 0.007 nan 8.230 nan 0.000 0.409 226 I N 1.914 122.478 120.570 -0.011 0.000 2.823 226 I HA 0.379 4.549 4.170 -0.000 0.000 0.290 226 I C 0.201 176.201 176.117 -0.196 0.000 1.091 226 I CA -0.754 60.381 61.300 -0.275 0.000 1.365 226 I CB 0.368 38.241 38.000 -0.213 0.000 1.427 226 I HN 0.652 nan 8.210 nan 0.000 0.583 227 L N 1.544 122.614 121.223 -0.254 0.000 3.533 227 L HA -0.168 4.172 4.340 -0.000 0.000 0.477 227 L C 0.468 177.432 176.870 0.157 0.000 1.306 227 L CA 0.361 55.205 54.840 0.007 0.000 0.850 227 L CB -1.580 40.444 42.059 -0.058 0.000 1.654 227 L HN 0.721 nan 8.230 nan 0.000 0.863 228 R N 0.552 121.092 120.500 0.066 0.000 2.523 228 R HA 0.164 4.504 4.340 -0.000 0.000 0.281 228 R C 1.434 177.790 176.300 0.093 0.000 0.969 228 R CA 1.450 57.609 56.100 0.099 0.000 1.093 228 R CB 0.177 30.548 30.300 0.117 0.000 0.917 228 R HN 0.624 nan 8.270 nan 0.000 0.408 229 G N 2.562 111.377 108.800 0.024 0.000 2.259 229 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 229 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 229 G C -0.109 174.649 174.900 -0.237 0.000 1.001 229 G CA -0.578 44.448 45.100 -0.123 0.000 0.627 229 G HN 0.475 nan 8.290 nan 0.000 0.501 230 F N 1.725 121.635 119.950 -0.066 0.000 2.378 230 F HA 0.555 5.082 4.527 -0.000 0.000 0.325 230 F C 0.896 176.592 175.800 -0.173 0.000 1.097 230 F CA -0.157 57.778 58.000 -0.107 0.000 1.079 230 F CB 0.786 39.739 39.000 -0.078 0.000 1.240 230 F HN 0.121 nan 8.300 nan 0.000 0.519 231 D N 1.381 121.706 120.400 -0.125 0.000 2.703 231 D HA -0.152 4.488 4.640 -0.000 0.000 0.225 231 D C 1.080 177.347 176.300 -0.055 0.000 1.119 231 D CA 0.679 54.550 54.000 -0.215 0.000 0.845 231 D CB 0.640 41.276 40.800 -0.274 0.000 1.182 231 D HN 0.714 nan 8.370 nan 0.000 0.493 232 E N 1.488 121.666 120.200 -0.037 0.000 2.028 232 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 232 E C 1.569 178.170 176.600 0.002 0.000 0.984 232 E CA 1.626 58.028 56.400 0.003 0.000 0.800 232 E CB -0.008 29.705 29.700 0.022 0.000 0.758 232 E HN 0.665 nan 8.360 nan 0.000 0.448 233 T N 1.539 116.099 114.554 0.010 0.000 2.653 233 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 233 T C 1.885 176.568 174.700 -0.028 0.000 1.035 233 T CA 1.752 63.854 62.100 0.003 0.000 1.154 233 T CB -0.368 68.513 68.868 0.022 0.000 0.862 233 T HN 0.210 nan 8.240 nan 0.000 0.441 234 I N 0.776 121.320 120.570 -0.044 0.000 2.226 234 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 234 I C 2.797 178.869 176.117 -0.077 0.000 1.100 234 I CA 1.424 62.679 61.300 -0.075 0.000 1.374 234 I CB -0.325 37.629 38.000 -0.076 0.000 1.057 234 I HN 0.198 nan 8.210 nan 0.000 0.413 235 R N 0.664 121.135 120.500 -0.049 0.000 2.073 235 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 235 R C 2.171 178.447 176.300 -0.039 0.000 1.134 235 R CA 1.505 57.576 56.100 -0.048 0.000 0.952 235 R CB -0.370 29.923 30.300 -0.012 0.000 0.850 235 R HN 0.434 nan 8.270 nan 0.000 0.433 236 E N 0.394 120.580 120.200 -0.023 0.000 2.051 236 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 236 E C 2.064 178.647 176.600 -0.027 0.000 0.991 236 E CA 0.914 57.304 56.400 -0.017 0.000 0.799 236 E CB 0.043 29.739 29.700 -0.006 0.000 0.748 236 E HN 0.265 nan 8.360 nan 0.000 0.449 237 E N 0.484 120.662 120.200 -0.036 0.000 2.051 237 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 237 E C 2.309 178.880 176.600 -0.048 0.000 0.991 237 E CA 0.874 57.250 56.400 -0.040 0.000 0.799 237 E CB -0.454 29.212 29.700 -0.055 0.000 0.748 237 E HN 0.165 nan 8.360 nan 0.000 0.449 238 V N 1.173 121.044 119.914 -0.072 0.000 2.490 238 V HA -0.221 3.899 4.120 -0.000 0.000 0.250 238 V C 2.006 178.058 176.094 -0.069 0.000 1.061 238 V CA 2.378 64.629 62.300 -0.081 0.000 1.064 238 V CB -0.576 31.174 31.823 -0.122 0.000 0.670 238 V HN 0.222 nan 8.190 nan 0.000 0.461 239 T N 0.054 114.572 114.554 -0.060 0.000 2.652 239 T HA -0.229 4.120 4.350 -0.000 0.000 0.267 239 T C 1.933 176.600 174.700 -0.055 0.000 1.039 239 T CA 2.226 64.296 62.100 -0.050 0.000 1.153 239 T CB -0.278 68.571 68.868 -0.033 0.000 0.863 239 T HN 0.507 nan 8.240 nan 0.000 0.428 240 K N 0.584 120.957 120.400 -0.046 0.000 2.057 240 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 240 K C 2.632 179.180 176.600 -0.086 0.000 1.050 240 K CA 1.198 57.454 56.287 -0.051 0.000 0.935 240 K CB -0.128 32.359 32.500 -0.021 0.000 0.715 240 K HN 0.442 nan 8.250 nan 0.000 0.439 241 Q N 0.368 120.135 119.800 -0.056 0.000 2.167 241 Q HA -0.091 4.248 4.340 -0.000 0.000 0.202 241 Q C 2.146 178.045 176.000 -0.169 0.000 0.970 241 Q CA 0.940 56.707 55.803 -0.060 0.000 0.855 241 Q CB 0.037 28.822 28.738 0.079 0.000 0.911 241 Q HN 0.276 nan 8.270 nan 0.000 0.438 242 L N -0.312 120.842 121.223 -0.114 0.000 2.072 242 L HA -0.131 4.209 4.340 -0.000 0.000 0.205 242 L C 2.385 179.173 176.870 -0.137 0.000 1.079 242 L CA 1.074 55.849 54.840 -0.109 0.000 0.752 242 L CB -0.417 41.600 42.059 -0.069 0.000 0.906 242 L HN 0.182 nan 8.230 nan 0.000 0.436 243 T N 0.026 114.502 114.554 -0.129 0.000 2.720 243 T HA -0.230 4.119 4.350 -0.000 0.000 0.268 243 T C 1.935 176.518 174.700 -0.195 0.000 1.037 243 T CA 1.393 63.416 62.100 -0.127 0.000 1.144 243 T CB -0.273 68.535 68.868 -0.100 0.000 0.864 243 T HN 0.450 nan 8.240 nan 0.000 0.444 244 A N 1.531 124.162 122.820 -0.316 0.000 2.076 244 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 244 A C 2.039 179.295 177.584 -0.547 0.000 1.160 244 A CA 1.455 53.172 52.037 -0.534 0.000 0.653 244 A CB -0.446 17.953 19.000 -1.003 0.000 0.801 244 A HN 0.407 nan 8.150 nan 0.000 0.455 245 N N -1.123 117.338 118.700 -0.398 0.000 2.235 245 N HA 0.225 4.965 4.740 -0.000 0.000 0.209 245 N C 0.773 176.211 175.510 -0.120 0.000 1.122 245 N CA 0.865 53.778 53.050 -0.229 0.000 0.845 245 N CB 0.205 38.598 38.487 -0.158 0.000 1.004 245 N HN 0.544 nan 8.380 nan 0.000 0.499 246 G N 0.458 109.186 108.800 -0.119 0.000 2.132 246 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.228 246 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.228 246 G C -0.208 174.663 174.900 -0.048 0.000 1.000 246 G CA -0.080 44.978 45.100 -0.070 0.000 0.693 246 G HN 0.285 nan 8.290 nan 0.000 0.515 247 I N 0.582 121.119 120.570 -0.055 0.000 2.336 247 I HA 0.360 4.530 4.170 -0.000 0.000 0.292 247 I C 0.463 176.560 176.117 -0.034 0.000 0.991 247 I CA -0.685 60.597 61.300 -0.030 0.000 1.227 247 I CB 1.700 39.688 38.000 -0.020 0.000 1.366 247 I HN 0.152 nan 8.210 nan 0.000 0.466 248 E N 6.513 126.699 120.200 -0.022 0.000 2.152 248 E HA 0.271 4.620 4.350 -0.000 0.000 0.285 248 E C -0.769 175.821 176.600 -0.018 0.000 1.043 248 E CA -0.700 55.684 56.400 -0.027 0.000 0.839 248 E CB 0.755 30.438 29.700 -0.027 0.000 1.069 248 E HN 0.335 nan 8.360 nan 0.000 0.399 249 I N 5.241 125.797 120.570 -0.023 0.000 2.352 249 I HA 0.147 4.317 4.170 -0.000 0.000 0.290 249 I C 0.268 176.370 176.117 -0.026 0.000 1.036 249 I CA -0.066 61.228 61.300 -0.010 0.000 1.336 249 I CB 0.735 38.731 38.000 -0.006 0.000 1.407 249 I HN 0.637 nan 8.210 nan 0.000 0.497 250 M N 6.598 126.183 119.600 -0.025 0.000 2.208 250 M HA 0.189 4.669 4.480 -0.000 0.000 0.352 250 M C 0.130 176.412 176.300 -0.031 0.000 1.137 250 M CA -0.419 54.833 55.300 -0.079 0.000 1.091 250 M CB 0.730 33.228 32.600 -0.169 0.000 1.309 250 M HN 0.636 nan 8.290 nan 0.000 0.408 251 T N -1.541 113.004 114.554 -0.014 0.000 2.874 251 T HA 0.338 4.688 4.350 -0.000 0.000 0.281 251 T C 1.012 175.682 174.700 -0.050 0.000 0.994 251 T CA -0.674 61.439 62.100 0.022 0.000 1.015 251 T CB 0.887 69.789 68.868 0.057 0.000 1.028 251 T HN 0.731 nan 8.240 nan 0.000 0.523 252 N N -0.652 118.004 118.700 -0.074 0.000 2.758 252 N HA -0.158 4.581 4.740 -0.000 0.000 0.245 252 N C -0.317 175.135 175.510 -0.096 0.000 1.059 252 N CA 1.371 54.361 53.050 -0.100 0.000 0.900 252 N CB -0.716 37.728 38.487 -0.072 0.000 1.145 252 N HN 0.707 nan 8.380 nan 0.000 0.590 253 E N 1.083 121.220 120.200 -0.104 0.000 2.283 253 E HA 0.491 4.841 4.350 -0.000 0.000 0.267 253 E C 0.063 176.730 176.600 0.111 0.000 1.045 253 E CA -0.318 56.032 56.400 -0.083 0.000 0.884 253 E CB 1.165 30.609 29.700 -0.427 0.000 1.106 253 E HN 0.255 nan 8.360 nan 0.000 0.408 254 N N 1.116 120.010 118.700 0.324 0.000 2.493 254 N HA 0.267 5.007 4.740 -0.000 0.000 0.279 254 N C -3.033 172.600 175.510 0.205 0.000 1.082 254 N CA -1.553 51.644 53.050 0.246 0.000 0.963 254 N CB 1.605 40.133 38.487 0.069 0.000 1.627 254 N HN -0.028 nan 8.380 nan 0.000 0.499 255 P HA 0.102 nan 4.420 nan 0.000 0.263 255 P C -0.531 176.687 177.300 -0.137 0.000 1.175 255 P CA 0.262 63.176 63.100 -0.310 0.000 0.761 255 P CB 0.921 32.447 31.700 -0.289 0.000 0.794 256 A N 3.854 126.585 122.820 -0.148 0.000 2.009 256 A HA 0.183 4.503 4.320 -0.000 0.000 0.197 256 A C 0.470 178.012 177.584 -0.069 0.000 1.471 256 A CA 0.743 52.738 52.037 -0.069 0.000 0.973 256 A CB 0.086 19.070 19.000 -0.026 0.000 1.020 256 A HN 0.556 nan 8.150 nan 0.000 0.476 257 K N -1.235 119.106 120.400 -0.099 0.000 2.495 257 K HA 0.741 5.061 4.320 -0.000 0.000 0.268 257 K C -1.813 174.728 176.600 -0.099 0.000 1.008 257 K CA -0.699 55.548 56.287 -0.067 0.000 0.882 257 K CB 2.104 34.593 32.500 -0.018 0.000 1.443 257 K HN -0.012 nan 8.250 nan 0.000 0.447 258 V N 1.093 120.986 119.914 -0.036 0.000 2.733 258 V HA 0.537 4.656 4.120 -0.000 0.000 0.306 258 V C -1.047 175.093 176.094 0.077 0.000 1.084 258 V CA -0.551 61.737 62.300 -0.020 0.000 0.905 258 V CB 1.702 33.518 31.823 -0.012 0.000 1.010 258 V HN 1.041 nan 8.190 nan 0.000 0.424 259 S N 4.000 119.737 115.700 0.063 0.000 2.618 259 S HA 0.741 5.211 4.470 -0.000 0.000 0.277 259 S C -1.120 173.425 174.600 -0.091 0.000 1.138 259 S CA -0.840 57.388 58.200 0.046 0.000 0.844 259 S CB 2.006 65.250 63.200 0.074 0.000 1.127 259 S HN 0.662 nan 8.310 nan 0.000 0.474 260 L N 2.499 123.601 121.223 -0.202 0.000 2.278 260 L HA 0.394 4.734 4.340 -0.000 0.000 0.287 260 L C -0.486 176.304 176.870 -0.133 0.000 1.072 260 L CA -0.580 54.092 54.840 -0.281 0.000 0.819 260 L CB 0.420 42.275 42.059 -0.340 0.000 1.176 260 L HN 0.715 nan 8.230 nan 0.000 0.435 261 N N 1.655 120.293 118.700 -0.103 0.000 2.503 261 N HA 0.040 4.780 4.740 -0.000 0.000 0.267 261 N C 1.285 176.753 175.510 -0.070 0.000 1.214 261 N CA 0.298 53.303 53.050 -0.075 0.000 0.959 261 N CB 1.383 39.840 38.487 -0.050 0.000 1.142 261 N HN 0.618 nan 8.380 nan 0.000 0.455 262 T N -2.100 112.419 114.554 -0.058 0.000 2.778 262 T HA -0.239 4.111 4.350 -0.000 0.000 0.269 262 T C 0.920 175.597 174.700 -0.039 0.000 1.050 262 T CA 1.613 63.686 62.100 -0.045 0.000 1.137 262 T CB -0.225 68.620 68.868 -0.038 0.000 0.860 262 T HN 0.632 nan 8.240 nan 0.000 0.468 263 D N 0.785 121.162 120.400 -0.040 0.000 2.349 263 D HA 0.245 4.885 4.640 -0.000 0.000 0.224 263 D C 1.679 177.955 176.300 -0.040 0.000 1.029 263 D CA 0.649 54.629 54.000 -0.034 0.000 0.879 263 D CB -0.733 40.049 40.800 -0.030 0.000 0.906 263 D HN 0.658 nan 8.370 nan 0.000 0.528 264 G N -0.082 108.685 108.800 -0.055 0.000 2.175 264 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 264 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 264 G C 0.484 175.339 174.900 -0.074 0.000 0.982 264 G CA 0.469 45.530 45.100 -0.064 0.000 0.641 264 G HN 0.852 nan 8.290 nan 0.000 0.527 265 S N -0.670 114.990 115.700 -0.066 0.000 2.634 265 S HA 0.720 5.190 4.470 -0.000 0.000 0.261 265 S C -0.017 174.538 174.600 -0.076 0.000 1.271 265 S CA 0.120 58.281 58.200 -0.066 0.000 0.985 265 S CB 1.608 64.780 63.200 -0.047 0.000 0.968 265 S HN 0.322 nan 8.310 nan 0.000 0.568 266 K N 0.498 120.859 120.400 -0.065 0.000 2.221 266 K HA 0.414 4.734 4.320 -0.000 0.000 0.258 266 K C -1.088 175.507 176.600 -0.009 0.000 0.944 266 K CA -0.425 55.823 56.287 -0.065 0.000 0.823 266 K CB 1.165 33.620 32.500 -0.075 0.000 1.113 266 K HN 0.771 nan 8.250 nan 0.000 0.431 267 H N 1.518 120.535 119.070 -0.088 0.000 2.556 267 H HA 0.479 5.035 4.556 -0.000 0.000 0.310 267 H C -1.147 174.135 175.328 -0.077 0.000 1.057 267 H CA -0.666 55.343 56.048 -0.066 0.000 1.264 267 H CB 0.555 30.285 29.762 -0.054 0.000 1.404 267 H HN 0.234 nan 8.280 nan 0.000 0.462 268 V N 5.541 125.152 119.914 -0.505 0.000 2.398 268 V HA 0.333 4.453 4.120 -0.000 0.000 0.286 268 V C 0.046 175.832 176.094 -0.513 0.000 1.026 268 V CA -0.685 61.340 62.300 -0.460 0.000 0.868 268 V CB 1.639 33.194 31.823 -0.447 0.000 0.982 268 V HN 0.893 nan 8.190 nan 0.000 0.443 269 T N 5.474 119.792 114.554 -0.395 0.000 2.786 269 T HA 0.611 4.960 4.350 -0.000 0.000 0.283 269 T C -0.533 174.026 174.700 -0.235 0.000 0.992 269 T CA -0.113 61.860 62.100 -0.211 0.000 0.954 269 T CB 0.519 69.342 68.868 -0.076 0.000 0.934 269 T HN 0.287 nan 8.240 nan 0.000 0.440 270 F N 1.411 121.322 119.950 -0.066 0.000 2.375 270 F HA 0.290 4.817 4.527 -0.000 0.000 0.333 270 F C 1.961 177.741 175.800 -0.034 0.000 1.104 270 F CA -0.697 57.274 58.000 -0.047 0.000 1.149 270 F CB 0.735 39.706 39.000 -0.047 0.000 1.190 270 F HN 0.658 nan 8.300 nan 0.000 0.533 271 E N 0.630 120.924 120.200 0.157 0.000 2.233 271 E HA -0.327 4.022 4.350 -0.000 0.000 0.210 271 E C 2.131 178.783 176.600 0.087 0.000 1.046 271 E CA 2.077 58.532 56.400 0.093 0.000 0.844 271 E CB -0.096 29.646 29.700 0.070 0.000 0.741 271 E HN 0.661 nan 8.360 nan 0.000 0.465 272 S N -1.548 114.218 115.700 0.111 0.000 2.474 272 S HA -0.007 4.462 4.470 -0.000 0.000 0.235 272 S C 1.633 176.261 174.600 0.047 0.000 0.997 272 S CA 1.150 59.378 58.200 0.047 0.000 0.949 272 S CB 0.360 63.553 63.200 -0.012 0.000 0.766 272 S HN 0.499 nan 8.310 nan 0.000 0.517 273 G N 0.813 109.663 108.800 0.083 0.000 2.345 273 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 273 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 273 G C 0.129 175.082 174.900 0.088 0.000 1.058 273 G CA 0.052 45.193 45.100 0.069 0.000 0.632 273 G HN 0.701 nan 8.290 nan 0.000 0.508 274 K N 2.094 122.542 120.400 0.080 0.000 2.559 274 K HA 0.393 4.712 4.320 -0.000 0.000 0.279 274 K C 0.675 177.399 176.600 0.208 0.000 0.967 274 K CA 1.358 57.692 56.287 0.078 0.000 1.000 274 K CB 0.210 32.676 32.500 -0.057 0.000 0.890 274 K HN 0.648 nan 8.250 nan 0.000 0.501 275 T N 1.116 115.753 114.554 0.138 0.000 2.900 275 T HA 0.619 4.969 4.350 -0.000 0.000 0.295 275 T C -1.453 173.286 174.700 0.065 0.000 1.044 275 T CA -1.081 61.058 62.100 0.064 0.000 0.995 275 T CB 1.355 70.208 68.868 -0.026 0.000 1.072 275 T HN 0.285 nan 8.240 nan 0.000 0.473 276 L N 1.901 123.122 121.223 -0.004 0.000 2.470 276 L HA 0.558 4.898 4.340 -0.000 0.000 0.268 276 L C -1.697 175.148 176.870 -0.042 0.000 0.964 276 L CA -0.393 54.470 54.840 0.039 0.000 0.839 276 L CB 2.153 44.315 42.059 0.172 0.000 1.276 276 L HN 0.766 nan 8.230 nan 0.000 0.403 277 D N 4.606 125.012 120.400 0.009 0.000 2.274 277 D HA 0.574 5.213 4.640 -0.000 0.000 0.239 277 D C -0.190 176.101 176.300 -0.015 0.000 1.104 277 D CA 0.196 54.206 54.000 0.016 0.000 0.840 277 D CB 1.925 42.763 40.800 0.063 0.000 1.100 277 D HN 0.403 nan 8.370 nan 0.000 0.477 278 V N -0.650 119.240 119.914 -0.040 0.000 3.158 278 V HA 0.441 4.561 4.120 -0.000 0.000 0.311 278 V C 0.470 176.515 176.094 -0.082 0.000 1.181 278 V CA -0.780 61.481 62.300 -0.065 0.000 1.054 278 V CB 2.360 34.136 31.823 -0.078 0.000 1.085 278 V HN 0.199 nan 8.190 nan 0.000 0.446 279 D N 0.060 120.392 120.400 -0.113 0.000 2.183 279 D HA 0.158 4.798 4.640 -0.000 0.000 0.205 279 D C 0.331 176.549 176.300 -0.136 0.000 0.962 279 D CA 1.418 55.345 54.000 -0.122 0.000 0.849 279 D CB 0.920 41.632 40.800 -0.147 0.000 0.978 279 D HN 0.393 nan 8.370 nan 0.000 0.488 280 V N 1.153 120.963 119.914 -0.173 0.000 2.760 280 V HA 0.265 4.384 4.120 -0.000 0.000 0.309 280 V C -0.282 175.719 176.094 -0.156 0.000 1.077 280 V CA -0.849 61.344 62.300 -0.178 0.000 0.910 280 V CB 2.975 34.634 31.823 -0.274 0.000 1.008 280 V HN -0.285 nan 8.190 nan 0.000 0.424 281 V N 5.327 125.171 119.914 -0.116 0.000 2.311 281 V HA 0.413 4.533 4.120 -0.000 0.000 0.275 281 V C 0.066 176.100 176.094 -0.101 0.000 1.022 281 V CA -0.217 62.022 62.300 -0.102 0.000 0.830 281 V CB 1.380 33.148 31.823 -0.092 0.000 1.012 281 V HN 0.895 nan 8.190 nan 0.000 0.452 282 M N 6.400 125.938 119.600 -0.103 0.000 2.080 282 M HA 0.465 4.944 4.480 -0.000 0.000 0.350 282 M C -0.625 175.620 176.300 -0.091 0.000 1.173 282 M CA -0.309 54.925 55.300 -0.110 0.000 1.052 282 M CB 0.818 33.353 32.600 -0.108 0.000 1.577 282 M HN 0.458 nan 8.290 nan 0.000 0.455 283 M N 4.404 123.942 119.600 -0.103 0.000 2.120 283 M HA 0.348 4.828 4.480 -0.000 0.000 0.354 283 M C -0.276 175.962 176.300 -0.104 0.000 1.287 283 M CA 0.008 55.259 55.300 -0.082 0.000 1.103 283 M CB 0.878 33.435 32.600 -0.071 0.000 1.623 283 M HN 0.799 nan 8.290 nan 0.000 0.471 284 A N 4.849 127.626 122.820 -0.072 0.000 3.410 284 A HA 0.405 4.725 4.320 -0.000 0.000 0.276 284 A C 0.536 178.104 177.584 -0.027 0.000 0.995 284 A CA -0.471 51.515 52.037 -0.084 0.000 0.934 284 A CB -0.388 18.537 19.000 -0.126 0.000 1.191 284 A HN 0.957 nan 8.150 nan 0.000 0.511 285 I N -2.999 117.573 120.570 0.004 0.000 3.793 285 I HA 0.611 4.781 4.170 -0.000 0.000 0.315 285 I C 0.633 176.787 176.117 0.063 0.000 1.275 285 I CA 0.380 61.715 61.300 0.057 0.000 1.214 285 I CB 0.556 38.594 38.000 0.062 0.000 1.018 285 I HN 0.455 nan 8.210 nan 0.000 0.439 286 G N 0.923 109.744 108.800 0.035 0.000 2.340 286 G HA2 0.357 4.317 3.960 -0.000 0.000 0.300 286 G HA3 0.357 4.317 3.960 -0.000 0.000 0.300 286 G C -1.637 173.293 174.900 0.050 0.000 1.488 286 G CA -1.115 44.019 45.100 0.057 0.000 0.878 286 G HN 0.132 nan 8.290 nan 0.000 0.618 287 R N -0.296 120.253 120.500 0.082 0.000 2.534 287 R HA 0.620 4.960 4.340 -0.000 0.000 0.301 287 R C -0.367 176.006 176.300 0.123 0.000 0.961 287 R CA -0.776 55.383 56.100 0.098 0.000 0.871 287 R CB 1.804 32.172 30.300 0.113 0.000 1.170 287 R HN 0.660 nan 8.270 nan 0.000 0.446 288 I N -0.055 120.602 120.570 0.145 0.000 2.441 288 I HA 0.540 4.710 4.170 -0.000 0.000 0.295 288 I C -2.564 173.654 176.117 0.169 0.000 0.994 288 I CA -3.136 58.251 61.300 0.145 0.000 1.144 288 I CB 1.393 39.474 38.000 0.136 0.000 1.314 288 I HN 0.318 nan 8.210 nan 0.000 0.445 289 P HA 0.080 nan 4.420 nan 0.000 0.266 289 P C -0.751 176.632 177.300 0.138 0.000 1.195 289 P CA -0.136 63.043 63.100 0.131 0.000 0.768 289 P CB 0.402 32.162 31.700 0.100 0.000 0.838 290 R N 2.112 122.698 120.500 0.144 0.000 2.870 290 R HA 0.132 4.472 4.340 -0.000 0.000 0.254 290 R C 0.955 177.301 176.300 0.077 0.000 1.392 290 R CA 0.191 56.364 56.100 0.123 0.000 1.322 290 R CB -0.378 30.007 30.300 0.143 0.000 1.205 290 R HN 0.552 nan 8.270 nan 0.000 0.597 291 T N -1.511 113.081 114.554 0.063 0.000 3.001 291 T HA 0.052 4.402 4.350 -0.000 0.000 0.251 291 T C 1.273 175.990 174.700 0.029 0.000 1.040 291 T CA -0.004 62.124 62.100 0.048 0.000 0.985 291 T CB 0.154 69.050 68.868 0.047 0.000 1.011 291 T HN 0.286 nan 8.240 nan 0.000 0.509 292 N N 2.228 120.939 118.700 0.017 0.000 2.166 292 N HA -0.088 4.652 4.740 -0.000 0.000 0.186 292 N C 0.805 176.307 175.510 -0.013 0.000 1.019 292 N CA 1.592 54.641 53.050 -0.001 0.000 0.856 292 N CB -0.098 38.382 38.487 -0.012 0.000 0.993 292 N HN 0.622 nan 8.380 nan 0.000 0.426 293 D N 0.428 120.824 120.400 -0.007 0.000 2.349 293 D HA -0.005 4.635 4.640 -0.000 0.000 0.224 293 D C 1.779 178.092 176.300 0.022 0.000 1.029 293 D CA 0.060 54.058 54.000 -0.003 0.000 0.879 293 D CB 0.267 41.093 40.800 0.044 0.000 0.906 293 D HN 0.320 nan 8.370 nan 0.000 0.528 294 L N 0.032 121.269 121.223 0.024 0.000 2.270 294 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 294 L C 0.329 177.206 176.870 0.012 0.000 1.104 294 L CA 0.455 55.311 54.840 0.026 0.000 0.804 294 L CB -0.069 42.008 42.059 0.030 0.000 0.937 294 L HN -0.094 nan 8.230 nan 0.000 0.450 295 Q N -0.193 119.609 119.800 0.004 0.000 2.470 295 Q HA -0.185 4.155 4.340 -0.000 0.000 0.290 295 Q C 0.814 176.814 176.000 -0.000 0.000 1.353 295 Q CA 0.448 56.249 55.803 -0.002 0.000 0.787 295 Q CB -2.165 26.568 28.738 -0.007 0.000 1.158 295 Q HN 0.494 nan 8.270 nan 0.000 0.426 296 L N -1.662 119.564 121.223 0.004 0.000 2.642 296 L HA -0.111 4.229 4.340 -0.000 0.000 0.236 296 L C 2.062 178.932 176.870 -0.000 0.000 1.169 296 L CA 1.345 56.188 54.840 0.004 0.000 0.851 296 L CB -0.360 41.706 42.059 0.011 0.000 0.968 296 L HN 0.452 nan 8.230 nan 0.000 0.453 297 G N -0.267 108.531 108.800 -0.002 0.000 2.411 297 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.213 297 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.213 297 G C 1.333 176.229 174.900 -0.007 0.000 1.166 297 G CA 0.036 45.134 45.100 -0.004 0.000 0.802 297 G HN 0.282 nan 8.290 nan 0.000 0.533 298 N N 0.586 119.281 118.700 -0.008 0.000 2.133 298 N HA -0.166 4.573 4.740 -0.000 0.000 0.193 298 N C 2.244 177.747 175.510 -0.012 0.000 1.012 298 N CA 2.078 55.122 53.050 -0.010 0.000 0.871 298 N CB -0.174 38.306 38.487 -0.011 0.000 1.011 298 N HN 0.444 nan 8.380 nan 0.000 0.435 299 V N -5.974 113.933 119.914 -0.012 0.000 3.572 299 V HA 0.551 4.671 4.120 -0.000 0.000 0.260 299 V C 1.173 177.258 176.094 -0.015 0.000 1.324 299 V CA 0.519 62.810 62.300 -0.016 0.000 1.068 299 V CB 0.304 32.114 31.823 -0.021 0.000 0.837 299 V HN 0.199 nan 8.190 nan 0.000 0.450 300 G N 1.073 109.867 108.800 -0.010 0.000 2.141 300 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.195 300 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.195 300 G C -0.079 174.817 174.900 -0.005 0.000 1.012 300 G CA -0.171 44.925 45.100 -0.007 0.000 0.696 300 G HN 0.851 nan 8.290 nan 0.000 0.508 301 V N 1.133 121.044 119.914 -0.005 0.000 2.458 301 V HA 0.143 4.263 4.120 -0.000 0.000 0.287 301 V C 1.377 177.476 176.094 0.008 0.000 1.009 301 V CA 0.278 62.578 62.300 0.000 0.000 1.091 301 V CB 0.573 32.398 31.823 0.003 0.000 0.960 301 V HN 0.419 nan 8.190 nan 0.000 0.476 302 K N 4.448 124.854 120.400 0.010 0.000 2.440 302 K HA 0.331 4.651 4.320 -0.000 0.000 0.270 302 K C -0.347 176.265 176.600 0.020 0.000 0.980 302 K CA -0.020 56.276 56.287 0.014 0.000 0.953 302 K CB 0.378 32.887 32.500 0.015 0.000 0.925 302 K HN 0.522 nan 8.250 nan 0.000 0.497 303 L N 0.673 121.909 121.223 0.021 0.000 2.303 303 L HA 0.421 4.760 4.340 -0.000 0.000 0.266 303 L C 0.582 177.467 176.870 0.024 0.000 1.011 303 L CA -1.121 53.735 54.840 0.026 0.000 0.818 303 L CB 1.700 43.776 42.059 0.028 0.000 1.326 303 L HN 0.730 nan 8.230 nan 0.000 0.435 304 T N -3.423 111.147 114.554 0.026 0.000 2.902 304 T HA 0.333 4.683 4.350 -0.000 0.000 0.280 304 T C -2.017 172.698 174.700 0.024 0.000 0.992 304 T CA -1.725 60.389 62.100 0.023 0.000 1.015 304 T CB 1.459 70.340 68.868 0.022 0.000 1.044 304 T HN 0.346 nan 8.240 nan 0.000 0.520 305 P HA -0.040 nan 4.420 nan 0.000 0.219 305 P C 1.113 178.429 177.300 0.027 0.000 1.146 305 P CA 1.013 64.126 63.100 0.023 0.000 0.808 305 P CB 0.018 31.730 31.700 0.020 0.000 0.779 306 K N -1.750 118.669 120.400 0.030 0.000 2.365 306 K HA 0.138 4.458 4.320 -0.000 0.000 0.199 306 K C 1.362 177.988 176.600 0.044 0.000 1.045 306 K CA 1.113 57.422 56.287 0.037 0.000 0.962 306 K CB -0.421 32.101 32.500 0.038 0.000 0.759 306 K HN 0.239 nan 8.250 nan 0.000 0.469 307 G N 1.011 109.836 108.800 0.041 0.000 2.175 307 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.182 307 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.182 307 G C 0.225 175.155 174.900 0.051 0.000 1.003 307 G CA -0.355 44.772 45.100 0.045 0.000 0.666 307 G HN 0.510 nan 8.290 nan 0.000 0.506 308 G N -0.513 108.316 108.800 0.049 0.000 2.410 308 G HA2 0.652 4.612 3.960 -0.000 0.000 0.330 308 G HA3 0.652 4.612 3.960 -0.000 0.000 0.330 308 G C 0.235 175.162 174.900 0.046 0.000 1.142 308 G CA -0.186 44.945 45.100 0.053 0.000 0.902 308 G HN 0.876 nan 8.290 nan 0.000 0.491 309 V N 1.326 121.271 119.914 0.051 0.000 2.540 309 V HA 0.014 4.134 4.120 -0.000 0.000 0.297 309 V C 0.829 176.950 176.094 0.046 0.000 1.024 309 V CA 0.223 62.552 62.300 0.048 0.000 1.105 309 V CB 0.887 32.744 31.823 0.057 0.000 0.938 309 V HN 0.801 nan 8.190 nan 0.000 0.482 310 Q N 3.942 123.765 119.800 0.039 0.000 2.296 310 Q HA 0.476 4.816 4.340 -0.000 0.000 0.262 310 Q C -0.525 175.504 176.000 0.048 0.000 0.981 310 Q CA -0.346 55.479 55.803 0.036 0.000 0.905 310 Q CB 1.221 29.977 28.738 0.030 0.000 1.186 310 Q HN 0.783 nan 8.270 nan 0.000 0.399 311 V N 0.408 120.352 119.914 0.049 0.000 3.126 311 V HA 0.600 4.720 4.120 -0.000 0.000 0.314 311 V C -0.596 175.538 176.094 0.066 0.000 1.138 311 V CA -1.119 61.225 62.300 0.072 0.000 1.034 311 V CB 1.832 33.710 31.823 0.091 0.000 1.075 311 V HN 0.893 nan 8.190 nan 0.000 0.442 312 D N -0.782 119.679 120.400 0.100 0.000 2.478 312 D HA 0.268 4.907 4.640 -0.000 0.000 0.263 312 D C 0.631 176.992 176.300 0.102 0.000 1.153 312 D CA -0.681 53.383 54.000 0.107 0.000 1.038 312 D CB 0.667 41.562 40.800 0.158 0.000 1.120 312 D HN 0.670 nan 8.370 nan 0.000 0.564 313 E N -1.130 119.112 120.200 0.070 0.000 2.455 313 E HA -0.121 4.229 4.350 -0.000 0.000 0.202 313 E C 0.393 176.861 176.600 -0.220 0.000 1.045 313 E CA 0.762 57.115 56.400 -0.077 0.000 0.872 313 E CB -0.333 29.273 29.700 -0.156 0.000 0.792 313 E HN 0.405 nan 8.360 nan 0.000 0.542 314 F N -0.818 119.161 119.950 0.048 0.000 2.706 314 F HA 0.191 4.717 4.527 -0.000 0.000 0.313 314 F C 0.934 176.752 175.800 0.031 0.000 1.096 314 F CA -0.143 57.873 58.000 0.027 0.000 1.219 314 F CB 0.866 39.872 39.000 0.009 0.000 1.051 314 F HN -0.257 nan 8.300 nan 0.000 0.568 315 S N -0.060 115.755 115.700 0.192 0.000 3.228 315 S HA -0.204 4.266 4.470 -0.000 0.000 0.282 315 S C 0.507 175.265 174.600 0.265 0.000 1.286 315 S CA 0.302 58.608 58.200 0.176 0.000 1.066 315 S CB -1.172 62.106 63.200 0.130 0.000 1.277 315 S HN 0.381 nan 8.310 nan 0.000 0.661 316 R N 2.180 122.855 120.500 0.293 0.000 2.438 316 R HA 0.376 4.715 4.340 -0.000 0.000 0.287 316 R C 1.152 177.559 176.300 0.179 0.000 1.077 316 R CA 0.516 56.818 56.100 0.336 0.000 1.034 316 R CB 0.528 30.989 30.300 0.269 0.000 0.993 316 R HN 0.525 nan 8.270 nan 0.000 0.459 317 T N -1.200 113.417 114.554 0.106 0.000 2.833 317 T HA -0.003 4.347 4.350 -0.000 0.000 0.312 317 T C 1.152 175.868 174.700 0.027 0.000 1.085 317 T CA -0.278 61.851 62.100 0.049 0.000 0.955 317 T CB 0.408 69.284 68.868 0.012 0.000 1.353 317 T HN 0.721 nan 8.240 nan 0.000 0.544 318 N N -1.042 117.666 118.700 0.014 0.000 2.494 318 N HA 0.035 4.775 4.740 -0.000 0.000 0.182 318 N C -0.125 175.377 175.510 -0.014 0.000 1.076 318 N CA -0.036 53.017 53.050 0.005 0.000 0.908 318 N CB -0.097 38.394 38.487 0.007 0.000 0.967 318 N HN 0.334 nan 8.380 nan 0.000 0.449 319 V N 1.733 121.627 119.914 -0.034 0.000 2.294 319 V HA 0.246 4.365 4.120 -0.000 0.000 0.272 319 V C -1.327 174.707 176.094 -0.099 0.000 1.027 319 V CA -1.607 60.659 62.300 -0.057 0.000 0.823 319 V CB 0.928 32.716 31.823 -0.059 0.000 1.030 319 V HN -0.021 nan 8.190 nan 0.000 0.457 320 P HA -0.298 nan 4.420 nan 0.000 0.229 320 P C 1.075 178.275 177.300 -0.166 0.000 1.073 320 P CA 2.107 65.157 63.100 -0.084 0.000 1.022 320 P CB 0.041 31.705 31.700 -0.059 0.000 0.752 321 N N -1.638 116.935 118.700 -0.211 0.000 2.449 321 N HA 0.103 4.843 4.740 -0.000 0.000 0.191 321 N C 0.146 175.312 175.510 -0.574 0.000 1.161 321 N CA -0.218 52.655 53.050 -0.295 0.000 0.863 321 N CB -0.131 38.228 38.487 -0.214 0.000 0.980 321 N HN 0.187 nan 8.380 nan 0.000 0.458 322 I N 0.546 120.745 120.570 -0.619 0.000 2.441 322 I HA 0.327 4.496 4.170 -0.000 0.000 0.295 322 I C -1.145 174.604 176.117 -0.613 0.000 0.994 322 I CA -0.900 60.078 61.300 -0.537 0.000 1.144 322 I CB 1.118 38.995 38.000 -0.206 0.000 1.314 322 I HN -0.115 nan 8.210 nan 0.000 0.445 323 Y N 3.384 123.727 120.300 0.071 0.000 2.553 323 Y HA 0.783 5.332 4.550 -0.000 0.000 0.347 323 Y C -0.216 175.726 175.900 0.071 0.000 1.019 323 Y CA -1.209 56.933 58.100 0.070 0.000 1.032 323 Y CB 1.932 40.433 38.460 0.069 0.000 1.284 323 Y HN 0.558 nan 8.280 nan 0.000 0.466 324 A N 3.141 126.100 122.820 0.232 0.000 2.359 324 A HA 0.870 5.189 4.320 -0.000 0.000 0.303 324 A C -1.081 176.589 177.584 0.145 0.000 1.066 324 A CA -0.642 51.490 52.037 0.159 0.000 0.730 324 A CB 0.598 19.667 19.000 0.115 0.000 1.211 324 A HN 0.821 nan 8.150 nan 0.000 0.439 325 I N -0.242 120.409 120.570 0.134 0.000 2.828 325 I HA 0.949 5.118 4.170 -0.000 0.000 0.302 325 I C 0.464 176.651 176.117 0.117 0.000 1.101 325 I CA -0.101 61.272 61.300 0.122 0.000 1.031 325 I CB 2.180 40.249 38.000 0.115 0.000 1.231 325 I HN 1.742 nan 8.210 nan 0.000 0.427 326 G N 3.871 112.741 108.800 0.118 0.000 2.499 326 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.232 326 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.232 326 G C 0.028 174.998 174.900 0.117 0.000 1.251 326 G CA 0.544 45.714 45.100 0.116 0.000 0.917 326 G HN 0.781 nan 8.290 nan 0.000 0.580 327 D N -0.151 120.323 120.400 0.123 0.000 2.218 327 D HA -0.018 4.621 4.640 -0.000 0.000 0.204 327 D C 2.350 178.722 176.300 0.120 0.000 0.976 327 D CA 1.030 55.108 54.000 0.129 0.000 0.853 327 D CB -0.111 40.779 40.800 0.150 0.000 0.939 327 D HN 0.456 nan 8.370 nan 0.000 0.481 328 I N 0.732 121.372 120.570 0.116 0.000 2.530 328 I HA -0.245 3.925 4.170 -0.000 0.000 0.257 328 I C 1.539 177.709 176.117 0.088 0.000 1.179 328 I CA 1.362 62.724 61.300 0.104 0.000 1.440 328 I CB 0.042 38.101 38.000 0.099 0.000 1.087 328 I HN 0.071 nan 8.210 nan 0.000 0.440 329 T N -3.783 110.822 114.554 0.084 0.000 3.086 329 T HA 0.058 4.408 4.350 -0.000 0.000 0.250 329 T C 0.920 175.649 174.700 0.048 0.000 1.074 329 T CA 0.393 62.532 62.100 0.064 0.000 0.988 329 T CB -0.042 68.863 68.868 0.062 0.000 0.988 329 T HN 0.370 nan 8.240 nan 0.000 0.530 330 D N 0.371 120.809 120.400 0.063 0.000 2.911 330 D HA -0.158 4.482 4.640 -0.000 0.000 0.227 330 D C 0.705 177.025 176.300 0.033 0.000 1.164 330 D CA 0.541 54.575 54.000 0.057 0.000 0.782 330 D CB -0.658 40.174 40.800 0.052 0.000 1.094 330 D HN 0.446 nan 8.370 nan 0.000 0.425 331 R N -0.723 119.790 120.500 0.022 0.000 1.734 331 R HA 0.482 4.822 4.340 -0.000 0.000 0.117 331 R C 0.428 176.753 176.300 0.042 0.000 1.243 331 R CA -0.512 55.579 56.100 -0.015 0.000 1.776 331 R CB -0.301 29.923 30.300 -0.126 0.000 1.324 331 R HN 0.119 nan 8.270 nan 0.000 0.640 332 L N 2.653 123.925 121.223 0.080 0.000 2.418 332 L HA 0.198 4.538 4.340 -0.000 0.000 0.274 332 L C 0.499 177.428 176.870 0.098 0.000 1.135 332 L CA 0.393 55.287 54.840 0.090 0.000 0.870 332 L CB 0.209 42.332 42.059 0.107 0.000 1.154 332 L HN 0.313 nan 8.230 nan 0.000 0.462 333 M N 6.411 126.067 119.600 0.094 0.000 3.176 333 M HA 0.377 4.857 4.480 -0.000 0.000 0.284 333 M C -0.929 175.431 176.300 0.100 0.000 1.392 333 M CA 0.268 55.640 55.300 0.120 0.000 1.520 333 M CB -0.130 32.568 32.600 0.164 0.000 1.100 333 M HN 0.496 nan 8.290 nan 0.000 0.555 334 L N 0.071 121.341 121.223 0.078 0.000 2.455 334 L HA 0.372 4.712 4.340 -0.000 0.000 0.264 334 L C 1.081 177.985 176.870 0.058 0.000 0.968 334 L CA -0.499 54.370 54.840 0.048 0.000 0.827 334 L CB 2.364 44.429 42.059 0.010 0.000 1.317 334 L HN 0.328 nan 8.230 nan 0.000 0.407 335 T N 1.433 116.021 114.554 0.057 0.000 2.607 335 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 335 T C -1.072 173.648 174.700 0.033 0.000 1.049 335 T CA 1.873 64.005 62.100 0.054 0.000 1.162 335 T CB -0.598 68.301 68.868 0.051 0.000 0.863 335 T HN 0.477 nan 8.240 nan 0.000 0.424 336 P HA -0.005 nan 4.420 nan 0.000 0.219 336 P C 1.534 178.829 177.300 -0.008 0.000 1.146 336 P CA 0.542 63.642 63.100 0.001 0.000 0.808 336 P CB -0.163 31.534 31.700 -0.004 0.000 0.779 337 V N -0.040 119.873 119.914 -0.002 0.000 2.379 337 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 337 V C 2.429 178.529 176.094 0.011 0.000 1.044 337 V CA 2.080 64.369 62.300 -0.018 0.000 1.036 337 V CB -1.642 30.190 31.823 0.016 0.000 0.664 337 V HN 0.099 nan 8.190 nan 0.000 0.453 338 A N 0.384 123.231 122.820 0.045 0.000 1.841 338 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 338 A C 2.173 179.783 177.584 0.044 0.000 1.199 338 A CA 2.298 54.372 52.037 0.062 0.000 0.621 338 A CB -0.715 18.331 19.000 0.077 0.000 0.835 338 A HN 0.469 nan 8.150 nan 0.000 0.445 339 I N 0.138 120.726 120.570 0.029 0.000 2.194 339 I HA -0.313 3.857 4.170 -0.000 0.000 0.246 339 I C 2.501 178.624 176.117 0.011 0.000 1.093 339 I CA 1.620 62.930 61.300 0.017 0.000 1.355 339 I CB -0.440 37.559 38.000 -0.002 0.000 1.046 339 I HN 0.470 nan 8.210 nan 0.000 0.413 340 N N 0.813 119.508 118.700 -0.007 0.000 2.244 340 N HA -0.192 4.547 4.740 -0.000 0.000 0.183 340 N C 1.727 177.226 175.510 -0.018 0.000 1.016 340 N CA 1.394 54.429 53.050 -0.026 0.000 0.866 340 N CB 0.087 38.535 38.487 -0.064 0.000 0.980 340 N HN 0.467 nan 8.380 nan 0.000 0.430 341 E N -0.568 119.633 120.200 0.000 0.000 2.072 341 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 341 E C 1.917 178.542 176.600 0.042 0.000 0.985 341 E CA 0.948 57.364 56.400 0.027 0.000 0.801 341 E CB -0.240 29.504 29.700 0.073 0.000 0.750 341 E HN 0.406 nan 8.360 nan 0.000 0.452 342 G N 1.021 109.853 108.800 0.053 0.000 2.402 342 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 342 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 342 G C 1.650 176.591 174.900 0.069 0.000 1.162 342 G CA 0.784 45.924 45.100 0.067 0.000 0.777 342 G HN 0.331 nan 8.290 nan 0.000 0.539 343 A N 1.371 124.229 122.820 0.063 0.000 1.855 343 A HA 0.283 4.603 4.320 -0.000 0.000 0.215 343 A C 2.858 180.487 177.584 0.075 0.000 1.191 343 A CA 2.296 54.381 52.037 0.080 0.000 0.613 343 A CB -1.011 18.025 19.000 0.059 0.000 0.829 343 A HN 0.818 nan 8.150 nan 0.000 0.442 344 A N -0.309 122.537 122.820 0.042 0.000 1.903 344 A HA -0.166 4.153 4.320 -0.000 0.000 0.219 344 A C 2.173 179.776 177.584 0.032 0.000 1.191 344 A CA 2.013 54.072 52.037 0.036 0.000 0.638 344 A CB -0.823 18.179 19.000 0.003 0.000 0.823 344 A HN 0.825 nan 8.150 nan 0.000 0.451 345 L N -0.041 121.185 121.223 0.005 0.000 1.990 345 L HA -0.166 4.174 4.340 -0.000 0.000 0.213 345 L C 2.407 179.191 176.870 -0.144 0.000 1.072 345 L CA 2.375 57.164 54.840 -0.084 0.000 0.755 345 L CB -0.553 41.444 42.059 -0.102 0.000 0.889 345 L HN 0.178 nan 8.230 nan 0.000 0.432 346 V N -0.350 119.558 119.914 -0.010 0.000 2.379 346 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 346 V C 2.179 178.301 176.094 0.047 0.000 1.044 346 V CA 1.780 64.139 62.300 0.098 0.000 1.036 346 V CB -0.892 31.103 31.823 0.287 0.000 0.664 346 V HN 0.419 nan 8.190 nan 0.000 0.453 347 D N -0.052 120.411 120.400 0.105 0.000 2.182 347 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 347 D C 2.243 178.503 176.300 -0.067 0.000 0.986 347 D CA 1.657 55.705 54.000 0.080 0.000 0.847 347 D CB -0.289 40.604 40.800 0.156 0.000 0.942 347 D HN 0.369 nan 8.370 nan 0.000 0.467 348 T N -0.637 113.867 114.554 -0.082 0.000 2.770 348 T HA -0.021 4.329 4.350 -0.000 0.000 0.263 348 T C 1.891 176.421 174.700 -0.283 0.000 1.039 348 T CA 0.532 62.560 62.100 -0.121 0.000 1.142 348 T CB 0.003 68.850 68.868 -0.035 0.000 0.868 348 T HN -0.022 nan 8.240 nan 0.000 0.435 349 V N 0.113 119.749 119.914 -0.463 0.000 3.650 349 V HA 0.235 4.354 4.120 -0.000 0.000 0.271 349 V C 0.559 175.998 176.094 -1.093 0.000 1.281 349 V CA 0.814 62.637 62.300 -0.795 0.000 1.120 349 V CB -0.272 30.892 31.823 -1.099 0.000 0.856 349 V HN 0.438 nan 8.190 nan 0.000 0.443 350 F N -0.594 119.104 119.950 -0.421 0.000 2.915 350 F HA 0.513 5.040 4.527 -0.000 0.000 0.347 350 F C 1.156 176.497 175.800 -0.764 0.000 1.104 350 F CA -0.348 57.343 58.000 -0.516 0.000 1.126 350 F CB 0.207 38.899 39.000 -0.513 0.000 1.145 350 F HN 0.049 nan 8.300 nan 0.000 0.541 351 G N -0.268 108.223 108.800 -0.516 0.000 2.389 351 G HA2 0.473 4.432 3.960 -0.000 0.000 0.328 351 G HA3 0.473 4.432 3.960 -0.000 0.000 0.328 351 G C 0.223 175.034 174.900 -0.148 0.000 1.133 351 G CA 0.127 45.036 45.100 -0.318 0.000 0.891 351 G HN 0.193 nan 8.290 nan 0.000 0.485 352 N N -0.659 118.001 118.700 -0.067 0.000 3.834 352 N HA -0.193 4.547 4.740 -0.000 0.000 0.233 352 N C -0.016 175.493 175.510 -0.002 0.000 0.206 352 N CA 2.059 55.107 53.050 -0.003 0.000 3.376 352 N CB -0.843 37.675 38.487 0.051 0.000 1.283 352 N HN 0.797 nan 8.380 nan 0.000 0.267 353 K N 1.126 121.527 120.400 0.003 0.000 2.561 353 K HA 0.474 4.793 4.320 -0.000 0.000 0.254 353 K C -3.260 173.357 176.600 0.028 0.000 0.942 353 K CA -1.406 54.889 56.287 0.014 0.000 0.818 353 K CB 2.882 35.405 32.500 0.038 0.000 1.306 353 K HN -0.006 nan 8.250 nan 0.000 0.435 354 P HA 0.039 nan 4.420 nan 0.000 0.267 354 P C -0.989 176.444 177.300 0.222 0.000 1.205 354 P CA -0.113 63.057 63.100 0.117 0.000 0.765 354 P CB 0.720 32.452 31.700 0.054 0.000 0.828 355 R N 2.555 123.186 120.500 0.219 0.000 2.670 355 R HA 0.403 4.743 4.340 -0.000 0.000 0.289 355 R C -0.178 176.128 176.300 0.010 0.000 0.965 355 R CA -0.893 55.279 56.100 0.121 0.000 0.899 355 R CB 1.602 31.940 30.300 0.063 0.000 1.173 355 R HN 0.460 nan 8.270 nan 0.000 0.456 356 K N 1.360 121.659 120.400 -0.168 0.000 2.376 356 K HA 0.336 4.655 4.320 -0.000 0.000 0.257 356 K C -0.905 175.582 176.600 -0.189 0.000 0.939 356 K CA -0.798 55.281 56.287 -0.347 0.000 0.809 356 K CB 2.006 34.058 32.500 -0.747 0.000 1.121 356 K HN 0.262 nan 8.250 nan 0.000 0.425 357 T N 2.562 117.025 114.554 -0.150 0.000 2.908 357 T HA -0.066 4.284 4.350 -0.000 0.000 0.301 357 T C -0.371 174.198 174.700 -0.219 0.000 1.019 357 T CA 0.426 62.412 62.100 -0.190 0.000 1.152 357 T CB 0.252 68.982 68.868 -0.230 0.000 0.966 357 T HN 0.613 nan 8.240 nan 0.000 0.540 358 D N 0.873 121.138 120.400 -0.225 0.000 2.280 358 D HA 0.121 4.760 4.640 -0.000 0.000 0.236 358 D C 0.683 176.859 176.300 -0.207 0.000 1.082 358 D CA -0.495 53.425 54.000 -0.133 0.000 0.834 358 D CB 0.604 41.361 40.800 -0.072 0.000 1.100 358 D HN 0.585 nan 8.370 nan 0.000 0.486 359 H N 1.905 120.957 119.070 -0.029 0.000 2.586 359 H HA 0.103 4.659 4.556 -0.000 0.000 0.273 359 H C 0.577 175.895 175.328 -0.016 0.000 0.997 359 H CA 0.217 56.253 56.048 -0.021 0.000 1.177 359 H CB 0.563 30.314 29.762 -0.019 0.000 1.471 359 H HN 0.458 nan 8.280 nan 0.000 0.538 360 T N -1.341 113.256 114.554 0.070 0.000 2.874 360 T HA 0.244 4.594 4.350 -0.000 0.000 0.281 360 T C 0.752 175.461 174.700 0.015 0.000 0.994 360 T CA -0.682 61.444 62.100 0.044 0.000 1.015 360 T CB 1.663 70.558 68.868 0.044 0.000 1.028 360 T HN 0.331 nan 8.240 nan 0.000 0.523 361 R N -1.087 119.420 120.500 0.012 0.000 3.863 361 R HA -0.109 4.230 4.340 -0.000 0.000 0.313 361 R C -0.481 175.811 176.300 -0.014 0.000 1.202 361 R CA 0.489 56.588 56.100 -0.002 0.000 0.852 361 R CB -2.519 27.782 30.300 0.002 0.000 1.292 361 R HN 0.542 nan 8.270 nan 0.000 0.519 362 V N 1.341 121.245 119.914 -0.015 0.000 2.427 362 V HA 0.409 4.529 4.120 -0.000 0.000 0.268 362 V C 1.155 177.236 176.094 -0.022 0.000 1.046 362 V CA 0.127 62.412 62.300 -0.024 0.000 0.970 362 V CB 1.226 33.033 31.823 -0.027 0.000 1.001 362 V HN 0.367 nan 8.190 nan 0.000 0.476 363 A N 5.241 128.049 122.820 -0.020 0.000 2.386 363 A HA 0.724 5.044 4.320 -0.000 0.000 0.248 363 A C 0.528 178.105 177.584 -0.011 0.000 1.082 363 A CA 0.274 52.301 52.037 -0.016 0.000 0.789 363 A CB 0.404 19.396 19.000 -0.013 0.000 1.025 363 A HN 1.174 nan 8.150 nan 0.000 0.490 364 S N -0.570 115.129 115.700 -0.002 0.000 2.656 364 S HA 0.871 5.341 4.470 -0.000 0.000 0.273 364 S C -0.588 174.017 174.600 0.008 0.000 1.168 364 S CA -0.178 58.023 58.200 0.002 0.000 0.817 364 S CB 1.331 64.522 63.200 -0.016 0.000 1.146 364 S HN 2.266 nan 8.310 nan 0.000 0.475 365 A N 0.109 122.917 122.820 -0.020 0.000 2.515 365 A HA 0.851 5.171 4.320 -0.000 0.000 0.296 365 A C -1.418 176.089 177.584 -0.128 0.000 1.094 365 A CA -0.866 51.088 52.037 -0.137 0.000 0.718 365 A CB 1.759 20.557 19.000 -0.337 0.000 1.307 365 A HN 1.232 nan 8.150 nan 0.000 0.408 366 V N 1.242 121.007 119.914 -0.249 0.000 2.376 366 V HA 0.299 4.419 4.120 -0.000 0.000 0.287 366 V C -0.974 174.985 176.094 -0.224 0.000 1.015 366 V CA -0.038 62.174 62.300 -0.147 0.000 0.834 366 V CB 0.789 32.430 31.823 -0.304 0.000 1.001 366 V HN 0.747 nan 8.190 nan 0.000 0.428 367 F N 3.488 123.433 119.950 -0.008 0.000 2.705 367 F HA 0.167 4.693 4.527 -0.000 0.000 0.355 367 F C 1.514 177.278 175.800 -0.061 0.000 1.172 367 F CA -0.146 57.831 58.000 -0.037 0.000 1.332 367 F CB -0.013 38.966 39.000 -0.035 0.000 1.621 367 F HN 0.561 nan 8.300 nan 0.000 0.605 368 S N -0.149 115.538 115.700 -0.022 0.000 2.632 368 S HA 0.587 5.056 4.470 -0.000 0.000 0.267 368 S C -0.299 174.278 174.600 -0.038 0.000 1.276 368 S CA -0.743 57.433 58.200 -0.040 0.000 0.998 368 S CB 1.524 64.668 63.200 -0.094 0.000 0.953 368 S HN 0.261 nan 8.310 nan 0.000 0.547 369 I N 2.278 122.828 120.570 -0.033 0.000 2.328 369 I HA 0.362 4.532 4.170 -0.000 0.000 0.287 369 I C -2.339 173.765 176.117 -0.022 0.000 1.012 369 I CA -2.257 59.025 61.300 -0.029 0.000 1.195 369 I CB 1.460 39.443 38.000 -0.029 0.000 1.350 369 I HN 0.483 nan 8.210 nan 0.000 0.464 370 P HA 0.252 nan 4.420 nan 0.000 0.274 370 P C -2.586 174.658 177.300 -0.093 0.000 1.246 370 P CA -1.235 61.840 63.100 -0.043 0.000 0.795 370 P CB 0.026 31.711 31.700 -0.026 0.000 1.006 371 P HA 0.337 nan 4.420 nan 0.000 0.284 371 P C -0.655 176.494 177.300 -0.251 0.000 1.258 371 P CA -0.124 62.835 63.100 -0.234 0.000 0.824 371 P CB 0.868 32.376 31.700 -0.321 0.000 1.038 372 I N 0.660 121.047 120.570 -0.305 0.000 2.460 372 I HA 0.597 4.766 4.170 -0.000 0.000 0.298 372 I C 0.741 176.733 176.117 -0.209 0.000 0.989 372 I CA -0.404 60.749 61.300 -0.245 0.000 1.173 372 I CB 1.848 39.681 38.000 -0.278 0.000 1.338 372 I HN 0.384 nan 8.210 nan 0.000 0.456 373 G N 2.548 111.273 108.800 -0.124 0.000 2.707 373 G HA2 0.559 4.519 3.960 -0.000 0.000 0.299 373 G HA3 0.559 4.519 3.960 -0.000 0.000 0.299 373 G C -1.140 173.756 174.900 -0.007 0.000 1.442 373 G CA -0.319 44.736 45.100 -0.075 0.000 1.009 373 G HN 0.490 nan 8.290 nan 0.000 0.515 374 T N -0.359 114.220 114.554 0.041 0.000 2.909 374 T HA 0.576 4.925 4.350 -0.000 0.000 0.299 374 T C -1.270 173.422 174.700 -0.013 0.000 1.073 374 T CA -0.594 61.550 62.100 0.073 0.000 0.999 374 T CB 1.610 70.662 68.868 0.306 0.000 1.098 374 T HN 1.099 nan 8.240 nan 0.000 0.477 375 C N 3.927 123.152 119.300 -0.126 0.000 2.516 375 C HA 0.878 5.338 4.460 -0.000 0.000 0.338 375 C C 0.740 175.660 174.990 -0.118 0.000 1.132 375 C CA 1.104 60.066 59.018 -0.093 0.000 1.310 375 C CB -0.286 27.408 27.740 -0.077 0.000 1.898 375 C HN 1.718 nan 8.230 nan 0.000 0.452 376 G N 4.766 113.549 108.800 -0.028 0.000 2.587 376 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.212 376 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.212 376 G C -0.895 174.055 174.900 0.082 0.000 1.327 376 G CA -0.361 44.739 45.100 0.000 0.000 0.898 376 G HN 1.107 nan 8.290 nan 0.000 0.551 377 L N 1.194 122.461 121.223 0.073 0.000 2.416 377 L HA 0.468 4.808 4.340 -0.000 0.000 0.272 377 L C 1.569 178.540 176.870 0.168 0.000 1.161 377 L CA -0.486 54.404 54.840 0.084 0.000 0.845 377 L CB 0.563 42.650 42.059 0.047 0.000 1.119 377 L HN 0.683 nan 8.230 nan 0.000 0.464 378 I N -0.643 119.934 120.570 0.012 0.000 2.945 378 I HA 0.118 4.288 4.170 -0.000 0.000 0.292 378 I C 1.376 177.434 176.117 -0.098 0.000 1.093 378 I CA -0.567 60.647 61.300 -0.144 0.000 1.336 378 I CB 0.664 38.510 38.000 -0.257 0.000 1.435 378 I HN 0.803 nan 8.210 nan 0.000 0.593 379 E N 2.560 122.678 120.200 -0.137 0.000 2.047 379 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 379 E C 1.422 177.783 176.600 -0.398 0.000 0.987 379 E CA 1.360 57.608 56.400 -0.254 0.000 0.799 379 E CB -0.478 29.093 29.700 -0.216 0.000 0.752 379 E HN 0.832 nan 8.360 nan 0.000 0.449 380 E N 1.821 121.859 120.200 -0.270 0.000 2.097 380 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 380 E C 2.380 178.909 176.600 -0.118 0.000 1.000 380 E CA 1.508 57.793 56.400 -0.192 0.000 0.804 380 E CB -0.764 28.903 29.700 -0.056 0.000 0.740 380 E HN 0.273 nan 8.360 nan 0.000 0.454 381 V N 1.990 121.855 119.914 -0.082 0.000 2.427 381 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 381 V C 2.693 178.790 176.094 0.004 0.000 1.051 381 V CA 1.785 64.068 62.300 -0.028 0.000 1.048 381 V CB -0.801 31.014 31.823 -0.013 0.000 0.666 381 V HN 0.443 nan 8.190 nan 0.000 0.456 382 A N 0.057 122.858 122.820 -0.030 0.000 1.930 382 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 382 A C 2.390 180.028 177.584 0.090 0.000 1.175 382 A CA 1.690 53.755 52.037 0.047 0.000 0.627 382 A CB -0.666 18.295 19.000 -0.066 0.000 0.815 382 A HN 0.556 nan 8.150 nan 0.000 0.443 383 A N -0.652 122.117 122.820 -0.085 0.000 2.070 383 A HA -0.114 4.205 4.320 -0.000 0.000 0.220 383 A C 2.018 179.656 177.584 0.089 0.000 1.159 383 A CA 1.650 53.670 52.037 -0.029 0.000 0.656 383 A CB -0.260 18.614 19.000 -0.210 0.000 0.800 383 A HN 0.472 nan 8.150 nan 0.000 0.453 384 K N -1.163 119.278 120.400 0.069 0.000 2.354 384 K HA 0.107 4.426 4.320 -0.000 0.000 0.194 384 K C 1.036 177.665 176.600 0.049 0.000 1.038 384 K CA 0.328 56.651 56.287 0.060 0.000 1.052 384 K CB 0.337 32.859 32.500 0.035 0.000 0.861 384 K HN 0.540 nan 8.250 nan 0.000 0.535 385 E N -0.578 119.677 120.200 0.091 0.000 2.460 385 E HA 0.120 4.470 4.350 -0.000 0.000 0.200 385 E C -0.672 175.776 176.600 -0.253 0.000 1.011 385 E CA 0.194 56.558 56.400 -0.061 0.000 0.912 385 E CB 0.567 30.258 29.700 -0.015 0.000 0.953 385 E HN -0.014 nan 8.360 nan 0.000 0.494 386 F N -0.344 119.627 119.950 0.035 0.000 2.581 386 F HA 0.199 4.726 4.527 -0.000 0.000 0.311 386 F C 1.030 176.874 175.800 0.073 0.000 1.113 386 F CA -0.759 57.273 58.000 0.053 0.000 0.935 386 F CB 1.778 40.815 39.000 0.061 0.000 1.232 386 F HN -0.235 nan 8.300 nan 0.000 0.445 387 E N 1.640 121.990 120.200 0.249 0.000 2.152 387 E HA -0.035 4.315 4.350 -0.000 0.000 0.192 387 E C -0.355 176.374 176.600 0.215 0.000 0.983 387 E CA 0.951 57.462 56.400 0.184 0.000 0.818 387 E CB 0.373 30.150 29.700 0.129 0.000 0.758 387 E HN 0.507 nan 8.360 nan 0.000 0.467 388 K N 0.802 121.357 120.400 0.258 0.000 2.535 388 K HA 0.396 4.716 4.320 -0.000 0.000 0.253 388 K C -1.326 175.447 176.600 0.288 0.000 0.953 388 K CA -0.468 55.984 56.287 0.274 0.000 0.863 388 K CB 2.741 35.407 32.500 0.278 0.000 1.111 388 K HN -0.186 nan 8.250 nan 0.000 0.431 389 V N 2.151 122.232 119.914 0.277 0.000 2.448 389 V HA 0.584 4.704 4.120 -0.000 0.000 0.295 389 V C -0.272 175.934 176.094 0.186 0.000 1.025 389 V CA -0.760 61.652 62.300 0.188 0.000 0.859 389 V CB 1.511 33.401 31.823 0.113 0.000 0.988 389 V HN 0.914 nan 8.190 nan 0.000 0.431 390 A N 4.680 127.538 122.820 0.063 0.000 2.306 390 A HA 0.908 5.228 4.320 -0.000 0.000 0.330 390 A C -0.813 176.615 177.584 -0.259 0.000 1.146 390 A CA -0.571 51.308 52.037 -0.263 0.000 0.827 390 A CB 1.620 20.346 19.000 -0.455 0.000 1.178 390 A HN 0.677 nan 8.150 nan 0.000 0.490 391 V N 1.831 121.399 119.914 -0.578 0.000 2.483 391 V HA 0.355 4.475 4.120 -0.000 0.000 0.297 391 V C -1.565 174.131 176.094 -0.662 0.000 1.027 391 V CA -0.265 61.742 62.300 -0.488 0.000 0.855 391 V CB 1.075 32.528 31.823 -0.616 0.000 0.995 391 V HN 0.774 nan 8.190 nan 0.000 0.424 392 Y N 5.145 125.275 120.300 -0.283 0.000 2.334 392 Y HA 0.723 5.273 4.550 -0.000 0.000 0.336 392 Y C 0.134 175.948 175.900 -0.143 0.000 0.960 392 Y CA -0.573 57.403 58.100 -0.207 0.000 1.164 392 Y CB 1.862 40.249 38.460 -0.123 0.000 1.155 392 Y HN 0.660 nan 8.280 nan 0.000 0.478 393 M N 3.242 122.842 119.600 -0.000 0.000 2.263 393 M HA 0.653 5.133 4.480 -0.000 0.000 0.295 393 M C -1.570 174.781 176.300 0.084 0.000 1.028 393 M CA -0.220 55.096 55.300 0.028 0.000 0.921 393 M CB 1.714 34.313 32.600 -0.002 0.000 1.601 393 M HN 0.499 nan 8.290 nan 0.000 0.440 394 S N 2.538 118.316 115.700 0.129 0.000 2.521 394 S HA 0.831 5.301 4.470 -0.000 0.000 0.295 394 S C -1.598 173.143 174.600 0.234 0.000 1.098 394 S CA -0.440 57.894 58.200 0.224 0.000 0.999 394 S CB 1.777 65.146 63.200 0.281 0.000 1.034 394 S HN 0.795 nan 8.310 nan 0.000 0.483 395 S N 3.545 119.443 115.700 0.330 0.000 2.590 395 S HA 0.716 5.186 4.470 -0.000 0.000 0.286 395 S C -1.630 173.132 174.600 0.270 0.000 1.147 395 S CA -0.668 57.621 58.200 0.148 0.000 0.963 395 S CB 0.064 63.307 63.200 0.072 0.000 1.124 395 S HN 0.976 nan 8.310 nan 0.000 0.458 396 F N -0.269 119.758 119.950 0.128 0.000 2.793 396 F HA 0.524 5.051 4.527 -0.000 0.000 0.316 396 F C -0.792 175.084 175.800 0.126 0.000 1.147 396 F CA -1.019 57.045 58.000 0.106 0.000 0.930 396 F CB 0.543 39.597 39.000 0.090 0.000 1.277 396 F HN 0.245 nan 8.300 nan 0.000 0.443 397 T N 3.300 118.037 114.554 0.305 0.000 2.794 397 T HA 0.496 4.845 4.350 -0.000 0.000 0.296 397 T C -2.587 172.368 174.700 0.424 0.000 0.949 397 T CA -0.881 61.361 62.100 0.236 0.000 1.101 397 T CB 0.803 69.766 68.868 0.158 0.000 0.905 397 T HN 0.355 nan 8.240 nan 0.000 0.516 398 P HA 0.232 nan 4.420 nan 0.000 0.277 398 P C 1.023 178.445 177.300 0.203 0.000 1.240 398 P CA -0.722 62.600 63.100 0.371 0.000 0.798 398 P CB 0.596 32.423 31.700 0.211 0.000 0.979 399 L N 2.740 124.044 121.223 0.134 0.000 2.010 399 L HA -0.244 4.095 4.340 -0.000 0.000 0.219 399 L C 2.351 179.268 176.870 0.078 0.000 1.077 399 L CA 2.450 57.337 54.840 0.079 0.000 0.773 399 L CB -1.284 40.803 42.059 0.047 0.000 0.892 399 L HN 0.517 nan 8.230 nan 0.000 0.436 400 M N -2.679 116.955 119.600 0.058 0.000 2.346 400 M HA -0.210 4.270 4.480 -0.000 0.000 0.263 400 M C 1.602 177.940 176.300 0.063 0.000 1.064 400 M CA 1.892 57.248 55.300 0.093 0.000 1.083 400 M CB -0.523 32.062 32.600 -0.025 0.000 1.399 400 M HN 0.244 nan 8.290 nan 0.000 0.435 401 H N -0.128 119.013 119.070 0.119 0.000 2.654 401 H HA 0.226 4.782 4.556 -0.000 0.000 0.264 401 H C 1.399 176.739 175.328 0.020 0.000 0.954 401 H CA 0.391 56.473 56.048 0.057 0.000 1.199 401 H CB -0.187 29.563 29.762 -0.019 0.000 1.446 401 H HN 0.467 nan 8.280 nan 0.000 0.516 402 N N 1.156 119.939 118.700 0.138 0.000 2.036 402 N HA -0.134 4.606 4.740 -0.000 0.000 0.195 402 N C 2.035 177.561 175.510 0.027 0.000 1.037 402 N CA 1.171 54.261 53.050 0.068 0.000 0.855 402 N CB -0.335 38.180 38.487 0.046 0.000 1.033 402 N HN 0.334 nan 8.380 nan 0.000 0.423 403 I N 0.520 121.084 120.570 -0.011 0.000 2.233 403 I HA -0.221 3.948 4.170 -0.000 0.000 0.243 403 I C 2.366 178.438 176.117 -0.076 0.000 1.093 403 I CA 1.025 62.234 61.300 -0.152 0.000 1.380 403 I CB -0.469 37.282 38.000 -0.414 0.000 1.067 403 I HN 0.171 nan 8.210 nan 0.000 0.413 404 S N 0.812 116.601 115.700 0.148 0.000 2.407 404 S HA -0.186 4.284 4.470 -0.000 0.000 0.235 404 S C 1.864 176.571 174.600 0.177 0.000 1.036 404 S CA 1.500 59.890 58.200 0.317 0.000 1.013 404 S CB -0.576 62.923 63.200 0.497 0.000 0.820 404 S HN 0.717 nan 8.310 nan 0.000 0.476 405 G N -0.349 108.513 108.800 0.103 0.000 2.213 405 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.226 405 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.226 405 G C 0.446 175.359 174.900 0.023 0.000 0.992 405 G CA 0.176 45.315 45.100 0.064 0.000 0.632 405 G HN 0.738 nan 8.290 nan 0.000 0.511 406 S N 1.694 117.356 115.700 -0.062 0.000 3.983 406 S HA 0.269 4.739 4.470 -0.000 0.000 0.194 406 S C 1.730 176.008 174.600 -0.537 0.000 1.464 406 S CA -0.018 57.936 58.200 -0.410 0.000 1.021 406 S CB 0.392 63.151 63.200 -0.736 0.000 1.424 406 S HN 0.461 nan 8.310 nan 0.000 0.473 407 K N 0.770 121.065 120.400 -0.175 0.000 2.211 407 K HA -0.191 4.129 4.320 -0.000 0.000 0.204 407 K C 1.574 178.122 176.600 -0.087 0.000 1.047 407 K CA 1.380 57.624 56.287 -0.072 0.000 0.935 407 K CB -0.369 32.148 32.500 0.029 0.000 0.728 407 K HN 0.835 nan 8.250 nan 0.000 0.452 408 Y N 0.664 120.952 120.300 -0.020 0.000 2.569 408 Y HA -0.031 4.519 4.550 -0.000 0.000 0.293 408 Y C 0.487 176.353 175.900 -0.057 0.000 1.144 408 Y CA 0.364 58.444 58.100 -0.033 0.000 1.321 408 Y CB -0.521 37.913 38.460 -0.043 0.000 0.982 408 Y HN -0.224 nan 8.280 nan 0.000 0.558 409 K N 2.933 123.058 120.400 -0.460 0.000 2.278 409 K HA 0.089 4.408 4.320 -0.000 0.000 0.237 409 K C -0.434 176.112 176.600 -0.090 0.000 1.229 409 K CA -0.000 56.089 56.287 -0.330 0.000 1.155 409 K CB 0.006 32.059 32.500 -0.744 0.000 1.590 409 K HN 0.280 nan 8.250 nan 0.000 0.290 410 K N 2.134 122.519 120.400 -0.025 0.000 2.349 410 K HA 0.061 4.381 4.320 -0.000 0.000 0.288 410 K C -0.103 176.452 176.600 -0.075 0.000 1.058 410 K CA -0.312 55.957 56.287 -0.030 0.000 0.953 410 K CB 0.476 32.966 32.500 -0.016 0.000 0.997 410 K HN 0.188 nan 8.250 nan 0.000 0.477 411 F N 3.192 122.959 119.950 -0.304 0.000 2.429 411 F HA 0.118 4.645 4.527 -0.000 0.000 0.348 411 F C -0.230 175.354 175.800 -0.359 0.000 1.109 411 F CA -0.201 57.581 58.000 -0.363 0.000 1.232 411 F CB 0.757 39.435 39.000 -0.536 0.000 1.157 411 F HN 0.119 nan 8.300 nan 0.000 0.564 412 V N 4.749 124.145 119.914 -0.864 0.000 2.577 412 V HA 0.754 4.874 4.120 -0.000 0.000 0.303 412 V C -0.713 175.044 176.094 -0.562 0.000 1.042 412 V CA -0.812 61.201 62.300 -0.479 0.000 0.872 412 V CB 1.298 32.941 31.823 -0.301 0.000 0.998 412 V HN 0.987 nan 8.190 nan 0.000 0.423 413 A N 4.595 127.325 122.820 -0.151 0.000 2.357 413 A HA 0.835 5.154 4.320 -0.000 0.000 0.295 413 A C -0.640 176.952 177.584 0.013 0.000 1.121 413 A CA -0.717 51.307 52.037 -0.022 0.000 0.742 413 A CB 1.127 20.245 19.000 0.196 0.000 1.181 413 A HN 0.773 nan 8.150 nan 0.000 0.454 414 K N 2.769 123.170 120.400 0.001 0.000 2.413 414 K HA 0.599 4.919 4.320 -0.000 0.000 0.257 414 K C -1.127 175.467 176.600 -0.010 0.000 0.946 414 K CA -0.271 56.035 56.287 0.031 0.000 0.823 414 K CB 2.148 34.695 32.500 0.079 0.000 1.109 414 K HN 0.680 nan 8.250 nan 0.000 0.427 415 I N 2.934 123.493 120.570 -0.018 0.000 2.359 415 I HA 0.308 4.477 4.170 -0.000 0.000 0.294 415 I C -0.250 175.896 176.117 0.048 0.000 0.987 415 I CA -1.263 59.988 61.300 -0.082 0.000 1.225 415 I CB 1.567 39.436 38.000 -0.218 0.000 1.366 415 I HN 0.163 nan 8.210 nan 0.000 0.466 416 V N 4.846 124.761 119.914 0.002 0.000 2.459 416 V HA 0.519 4.639 4.120 -0.000 0.000 0.295 416 V C 0.276 176.364 176.094 -0.009 0.000 1.029 416 V CA -0.315 61.996 62.300 0.019 0.000 0.874 416 V CB 1.845 33.683 31.823 0.025 0.000 0.985 416 V HN 0.941 nan 8.190 nan 0.000 0.438 417 T N 0.456 115.026 114.554 0.027 0.000 2.906 417 T HA 0.423 4.773 4.350 -0.000 0.000 0.295 417 T C -0.403 174.261 174.700 -0.060 0.000 1.075 417 T CA -0.856 61.255 62.100 0.018 0.000 1.005 417 T CB 1.773 70.753 68.868 0.188 0.000 1.136 417 T HN 0.422 nan 8.240 nan 0.000 0.498 418 N N 0.532 119.145 118.700 -0.145 0.000 2.508 418 N HA 0.095 4.835 4.740 -0.000 0.000 0.253 418 N C 0.791 176.357 175.510 0.093 0.000 1.145 418 N CA -0.002 52.959 53.050 -0.148 0.000 0.973 418 N CB -0.028 38.316 38.487 -0.238 0.000 1.305 418 N HN 0.822 nan 8.380 nan 0.000 0.506 419 H N 1.957 121.073 119.070 0.076 0.000 2.426 419 H HA -0.065 4.490 4.556 -0.000 0.000 0.298 419 H C 1.560 176.966 175.328 0.130 0.000 1.107 419 H CA 1.897 58.031 56.048 0.143 0.000 1.298 419 H CB 0.316 30.204 29.762 0.210 0.000 1.377 419 H HN 0.471 nan 8.280 nan 0.000 0.519 420 S N -0.435 115.328 115.700 0.104 0.000 2.365 420 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 420 S C 1.377 175.981 174.600 0.007 0.000 1.039 420 S CA 1.748 59.978 58.200 0.050 0.000 1.033 420 S CB -0.126 63.143 63.200 0.116 0.000 0.887 420 S HN 0.862 nan 8.310 nan 0.000 0.447 421 D N -2.332 118.087 120.400 0.032 0.000 2.500 421 D HA 0.280 4.920 4.640 -0.000 0.000 0.217 421 D C 1.092 177.402 176.300 0.017 0.000 1.159 421 D CA 0.869 54.882 54.000 0.021 0.000 0.828 421 D CB -0.245 40.580 40.800 0.043 0.000 1.039 421 D HN 0.412 nan 8.370 nan 0.000 0.512 422 G N 0.283 109.102 108.800 0.032 0.000 2.199 422 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.254 422 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.254 422 G C 0.488 175.413 174.900 0.041 0.000 0.982 422 G CA 0.305 45.443 45.100 0.062 0.000 0.632 422 G HN 0.447 nan 8.290 nan 0.000 0.529 423 T N 1.274 115.838 114.554 0.016 0.000 2.923 423 T HA 0.325 4.675 4.350 -0.000 0.000 0.304 423 T C 0.837 175.524 174.700 -0.021 0.000 1.044 423 T CA 0.359 62.458 62.100 -0.001 0.000 1.141 423 T CB 1.878 70.743 68.868 -0.005 0.000 1.023 423 T HN 0.591 nan 8.240 nan 0.000 0.533 424 V N 5.541 125.456 119.914 0.001 0.000 2.455 424 V HA 0.114 4.234 4.120 -0.000 0.000 0.273 424 V C 1.210 177.269 176.094 -0.059 0.000 1.045 424 V CA 0.074 62.357 62.300 -0.028 0.000 0.976 424 V CB 0.618 32.445 31.823 0.008 0.000 0.993 424 V HN 0.801 nan 8.190 nan 0.000 0.475 425 L N 4.057 125.217 121.223 -0.104 0.000 2.357 425 L HA 0.467 4.807 4.340 -0.000 0.000 0.211 425 L C 1.128 177.955 176.870 -0.072 0.000 1.075 425 L CA 0.778 55.551 54.840 -0.112 0.000 0.830 425 L CB 0.065 41.990 42.059 -0.223 0.000 0.996 425 L HN 0.765 nan 8.230 nan 0.000 0.467 426 G N -0.781 107.965 108.800 -0.091 0.000 2.690 426 G HA2 0.608 4.567 3.960 -0.000 0.000 0.291 426 G HA3 0.608 4.567 3.960 -0.000 0.000 0.291 426 G C -1.877 172.799 174.900 -0.374 0.000 1.403 426 G CA -0.312 44.687 45.100 -0.168 0.000 0.864 426 G HN -0.269 nan 8.290 nan 0.000 0.480 427 V N 1.437 120.924 119.914 -0.712 0.000 2.733 427 V HA 0.558 4.677 4.120 -0.000 0.000 0.306 427 V C -1.289 174.242 176.094 -0.938 0.000 1.084 427 V CA -0.908 60.999 62.300 -0.655 0.000 0.905 427 V CB 1.899 33.486 31.823 -0.393 0.000 1.010 427 V HN 0.847 nan 8.190 nan 0.000 0.424 428 H N 5.108 124.131 119.070 -0.079 0.000 2.667 428 H HA 0.702 5.258 4.556 -0.000 0.000 0.353 428 H C -1.293 173.961 175.328 -0.122 0.000 1.072 428 H CA -0.619 55.388 56.048 -0.070 0.000 1.214 428 H CB 2.576 32.314 29.762 -0.040 0.000 1.600 428 H HN 0.422 nan 8.280 nan 0.000 0.527 429 L N 3.499 124.688 121.223 -0.056 0.000 2.410 429 L HA 0.401 4.741 4.340 -0.000 0.000 0.270 429 L C -0.994 175.701 176.870 -0.292 0.000 0.983 429 L CA -0.922 53.781 54.840 -0.230 0.000 0.822 429 L CB 2.697 44.672 42.059 -0.141 0.000 1.285 429 L HN 0.245 nan 8.230 nan 0.000 0.409 430 L N 2.512 123.425 121.223 -0.516 0.000 2.409 430 L HA 1.005 5.345 4.340 -0.000 0.000 0.272 430 L C -0.277 176.225 176.870 -0.614 0.000 0.980 430 L CA 0.287 54.870 54.840 -0.429 0.000 0.826 430 L CB 1.855 43.725 42.059 -0.315 0.000 1.268 430 L HN 0.721 nan 8.230 nan 0.000 0.407 431 G N 2.539 111.195 108.800 -0.240 0.000 2.339 431 G HA2 0.151 4.111 3.960 -0.000 0.000 0.302 431 G HA3 0.151 4.111 3.960 -0.000 0.000 0.302 431 G C -1.826 173.167 174.900 0.154 0.000 1.425 431 G CA -1.025 44.134 45.100 0.098 0.000 0.899 431 G HN 0.535 nan 8.290 nan 0.000 0.619 432 D N 0.024 120.536 120.400 0.188 0.000 2.730 432 D HA 0.355 4.994 4.640 -0.000 0.000 0.225 432 D C 1.650 178.027 176.300 0.129 0.000 1.107 432 D CA 2.414 56.493 54.000 0.131 0.000 0.837 432 D CB 0.612 41.489 40.800 0.128 0.000 1.171 432 D HN 1.882 nan 8.370 nan 0.000 0.498 433 G N 1.908 110.752 108.800 0.075 0.000 2.245 433 G HA2 -0.404 3.555 3.960 -0.000 0.000 0.264 433 G HA3 -0.404 3.555 3.960 -0.000 0.000 0.264 433 G C 1.351 176.288 174.900 0.060 0.000 0.985 433 G CA 1.003 46.142 45.100 0.064 0.000 0.625 433 G HN 0.805 nan 8.290 nan 0.000 0.536 434 A N 1.613 124.475 122.820 0.071 0.000 1.894 434 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 434 A C 0.654 178.212 177.584 -0.044 0.000 1.237 434 A CA 2.942 54.990 52.037 0.019 0.000 0.660 434 A CB -1.494 17.463 19.000 -0.071 0.000 0.835 434 A HN 0.504 nan 8.150 nan 0.000 0.461 435 P HA -0.156 nan 4.420 nan 0.000 0.216 435 P C 1.284 178.575 177.300 -0.015 0.000 1.150 435 P CA 1.456 64.475 63.100 -0.135 0.000 0.837 435 P CB -0.087 31.437 31.700 -0.294 0.000 0.786 436 E N -0.376 119.835 120.200 0.020 0.000 2.028 436 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 436 E C 2.178 178.799 176.600 0.035 0.000 0.988 436 E CA 0.956 57.380 56.400 0.040 0.000 0.799 436 E CB -0.871 28.857 29.700 0.047 0.000 0.755 436 E HN 0.314 nan 8.360 nan 0.000 0.447 437 I N 0.850 121.446 120.570 0.043 0.000 2.381 437 I HA -0.270 3.900 4.170 -0.000 0.000 0.255 437 I C 2.449 178.594 176.117 0.048 0.000 1.140 437 I CA 0.865 62.198 61.300 0.056 0.000 1.404 437 I CB -0.212 37.842 38.000 0.090 0.000 1.075 437 I HN 0.039 nan 8.210 nan 0.000 0.433 438 I N 0.118 120.704 120.570 0.027 0.000 2.852 438 I HA -0.188 3.982 4.170 -0.000 0.000 0.264 438 I C 2.347 178.475 176.117 0.019 0.000 1.179 438 I CA 0.850 62.159 61.300 0.015 0.000 1.480 438 I CB -0.142 37.850 38.000 -0.014 0.000 1.111 438 I HN 0.117 nan 8.210 nan 0.000 0.441 439 Q N 1.566 121.378 119.800 0.020 0.000 1.998 439 Q HA -0.274 4.065 4.340 -0.000 0.000 0.209 439 Q C 2.223 178.234 176.000 0.018 0.000 1.002 439 Q CA 2.997 58.810 55.803 0.017 0.000 0.858 439 Q CB -0.835 27.914 28.738 0.018 0.000 0.932 439 Q HN 0.531 nan 8.270 nan 0.000 0.416 440 A N -0.635 122.199 122.820 0.024 0.000 2.076 440 A HA -0.135 4.184 4.320 -0.000 0.000 0.220 440 A C 2.269 179.878 177.584 0.042 0.000 1.160 440 A CA 1.629 53.679 52.037 0.021 0.000 0.653 440 A CB -0.707 18.304 19.000 0.018 0.000 0.801 440 A HN 0.307 nan 8.150 nan 0.000 0.455 441 V N -0.251 119.708 119.914 0.074 0.000 2.358 441 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 441 V C 2.827 178.966 176.094 0.076 0.000 1.047 441 V CA 1.749 64.126 62.300 0.128 0.000 1.035 441 V CB -1.467 30.415 31.823 0.098 0.000 0.658 441 V HN 0.599 nan 8.190 nan 0.000 0.452 442 G N 0.161 108.979 108.800 0.030 0.000 2.469 442 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.220 442 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.220 442 G C 1.617 176.523 174.900 0.009 0.000 1.136 442 G CA 1.478 46.584 45.100 0.010 0.000 0.759 442 G HN 0.417 nan 8.290 nan 0.000 0.562 443 V N 0.365 120.284 119.914 0.007 0.000 2.323 443 V HA -0.179 3.941 4.120 -0.000 0.000 0.244 443 V C 3.044 179.130 176.094 -0.013 0.000 1.041 443 V CA 1.552 63.848 62.300 -0.008 0.000 1.025 443 V CB -0.833 30.980 31.823 -0.017 0.000 0.656 443 V HN 0.502 nan 8.190 nan 0.000 0.451 444 C N 0.126 119.422 119.300 -0.007 0.000 2.367 444 C HA -0.220 4.240 4.460 -0.000 0.000 0.276 444 C C 2.582 177.576 174.990 0.008 0.000 1.195 444 C CA 1.070 60.069 59.018 -0.033 0.000 1.756 444 C CB -1.284 26.447 27.740 -0.016 0.000 2.046 444 C HN 0.482 nan 8.230 nan 0.000 0.453 445 L N 0.522 121.777 121.223 0.053 0.000 2.265 445 L HA -0.072 4.267 4.340 -0.000 0.000 0.215 445 L C 2.401 179.279 176.870 0.015 0.000 1.117 445 L CA 1.595 56.459 54.840 0.041 0.000 0.782 445 L CB -0.841 41.237 42.059 0.031 0.000 0.914 445 L HN 0.347 nan 8.230 nan 0.000 0.441 446 R N -0.837 119.665 120.500 0.003 0.000 2.310 446 R HA 0.149 4.488 4.340 -0.000 0.000 0.202 446 R C 0.396 176.688 176.300 -0.013 0.000 0.933 446 R CA 0.201 56.297 56.100 -0.006 0.000 1.054 446 R CB 0.034 30.327 30.300 -0.011 0.000 0.985 446 R HN 0.278 nan 8.270 nan 0.000 0.489 447 L N 0.335 121.546 121.223 -0.020 0.000 3.218 447 L HA 0.187 4.527 4.340 -0.000 0.000 0.279 447 L C -0.174 176.679 176.870 -0.029 0.000 1.287 447 L CA -0.439 54.383 54.840 -0.031 0.000 1.024 447 L CB 0.056 42.084 42.059 -0.052 0.000 1.409 447 L HN 0.118 nan 8.230 nan 0.000 0.580 448 N N 1.753 120.447 118.700 -0.010 0.000 2.678 448 N HA -0.230 4.509 4.740 -0.000 0.000 0.268 448 N C 0.087 175.589 175.510 -0.013 0.000 1.010 448 N CA 0.599 53.649 53.050 -0.001 0.000 0.784 448 N CB 0.037 38.526 38.487 0.003 0.000 0.905 448 N HN 0.507 nan 8.380 nan 0.000 0.552 449 A N 1.798 124.614 122.820 -0.008 0.000 2.401 449 A HA 0.456 4.776 4.320 -0.000 0.000 0.259 449 A C 0.346 177.953 177.584 0.038 0.000 1.103 449 A CA -0.042 51.980 52.037 -0.024 0.000 0.789 449 A CB 0.616 19.585 19.000 -0.052 0.000 1.035 449 A HN 0.536 nan 8.150 nan 0.000 0.491 450 K N 1.457 121.857 120.400 0.000 0.000 2.221 450 K HA 0.349 4.669 4.320 -0.000 0.000 0.243 450 K C 0.913 177.525 176.600 0.019 0.000 0.968 450 K CA -0.849 55.442 56.287 0.006 0.000 0.846 450 K CB 1.648 34.127 32.500 -0.035 0.000 1.141 450 K HN 0.555 nan 8.250 nan 0.000 0.434 451 I N 1.868 122.431 120.570 -0.012 0.000 2.181 451 I HA -0.374 3.796 4.170 -0.000 0.000 0.247 451 I C 1.925 177.881 176.117 -0.268 0.000 1.081 451 I CA 2.196 63.441 61.300 -0.093 0.000 1.340 451 I CB -0.260 37.637 38.000 -0.171 0.000 1.036 451 I HN 0.764 nan 8.210 nan 0.000 0.417 452 S N -0.594 114.822 115.700 -0.475 0.000 2.402 452 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 452 S C 1.781 175.976 174.600 -0.675 0.000 1.021 452 S CA 1.068 58.599 58.200 -1.116 0.000 0.974 452 S CB -0.764 62.004 63.200 -0.720 0.000 0.800 452 S HN 0.526 nan 8.310 nan 0.000 0.484 453 D N 1.084 121.277 120.400 -0.344 0.000 2.144 453 D HA -0.038 4.601 4.640 -0.000 0.000 0.199 453 D C 1.485 177.601 176.300 -0.307 0.000 0.984 453 D CA 1.016 54.842 54.000 -0.291 0.000 0.834 453 D CB -0.371 40.268 40.800 -0.267 0.000 0.955 453 D HN 0.432 nan 8.370 nan 0.000 0.465 454 F N 0.607 120.420 119.950 -0.229 0.000 2.084 454 F HA -0.178 4.349 4.527 -0.000 0.000 0.296 454 F C 2.441 178.191 175.800 -0.083 0.000 1.111 454 F CA 1.161 59.079 58.000 -0.138 0.000 1.224 454 F CB -0.901 38.029 39.000 -0.117 0.000 0.991 454 F HN 0.082 nan 8.300 nan 0.000 0.471 455 Y N -1.112 119.246 120.300 0.097 0.000 2.571 455 Y HA 0.043 4.592 4.550 -0.000 0.000 0.294 455 Y C 1.567 177.473 175.900 0.011 0.000 1.141 455 Y CA 0.556 58.677 58.100 0.036 0.000 1.308 455 Y CB -1.038 37.424 38.460 0.004 0.000 1.002 455 Y HN -0.041 nan 8.280 nan 0.000 0.551 456 N N 0.172 118.843 118.700 -0.049 0.000 2.446 456 N HA -0.019 4.721 4.740 -0.000 0.000 0.179 456 N C 0.050 175.552 175.510 -0.012 0.000 1.054 456 N CA 0.769 53.816 53.050 -0.006 0.000 0.905 456 N CB -0.205 38.230 38.487 -0.087 0.000 0.973 456 N HN 0.239 nan 8.380 nan 0.000 0.448 457 T N 2.004 116.536 114.554 -0.036 0.000 2.888 457 T HA 0.195 4.544 4.350 -0.000 0.000 0.301 457 T C 0.845 175.549 174.700 0.008 0.000 1.001 457 T CA -0.085 61.993 62.100 -0.037 0.000 1.147 457 T CB 0.810 69.634 68.868 -0.074 0.000 0.931 457 T HN -0.004 nan 8.240 nan 0.000 0.541 458 I N 2.978 123.548 120.570 0.001 0.000 2.471 458 I HA 0.279 4.449 4.170 -0.000 0.000 0.286 458 I C 1.419 177.547 176.117 0.018 0.000 1.079 458 I CA -0.180 61.127 61.300 0.011 0.000 1.398 458 I CB 0.601 38.604 38.000 0.005 0.000 1.403 458 I HN 0.671 nan 8.210 nan 0.000 0.530 459 G N 5.417 114.234 108.800 0.027 0.000 2.651 459 G HA2 0.430 4.390 3.960 -0.000 0.000 0.260 459 G HA3 0.430 4.390 3.960 -0.000 0.000 0.260 459 G C -0.508 174.421 174.900 0.048 0.000 1.216 459 G CA -0.395 44.730 45.100 0.041 0.000 0.913 459 G HN 0.406 nan 8.290 nan 0.000 0.535 460 V N 0.744 120.696 119.914 0.063 0.000 2.384 460 V HA 0.366 4.485 4.120 -0.000 0.000 0.287 460 V C -0.587 175.576 176.094 0.115 0.000 1.020 460 V CA -0.728 61.612 62.300 0.067 0.000 0.850 460 V CB 1.069 32.915 31.823 0.038 0.000 0.987 460 V HN 0.841 nan 8.190 nan 0.000 0.436 461 H N 5.935 124.999 119.070 -0.010 0.000 2.529 461 H HA 0.806 5.362 4.556 -0.001 0.000 0.348 461 H C -2.627 172.692 175.328 -0.015 0.000 1.079 461 H CA -1.669 54.371 56.048 -0.015 0.000 1.198 461 H CB 2.187 31.940 29.762 -0.014 0.000 1.521 461 H HN 0.573 nan 8.280 nan 0.000 0.514 462 P HA 0.425 nan 4.420 nan 0.000 0.305 462 P C -1.530 175.689 177.300 -0.134 0.000 1.378 462 P CA -0.718 62.126 63.100 -0.428 0.000 0.926 462 P CB 1.943 33.228 31.700 -0.693 0.000 1.051 463 T N -2.514 112.019 114.554 -0.034 0.000 2.942 463 T HA 0.303 4.652 4.350 -0.000 0.000 0.327 463 T C 0.722 175.380 174.700 -0.070 0.000 1.360 463 T CA -0.544 61.528 62.100 -0.047 0.000 1.055 463 T CB 0.891 69.748 68.868 -0.019 0.000 1.261 463 T HN 0.026 nan 8.240 nan 0.000 0.485 464 S N 1.127 116.719 115.700 -0.180 0.000 2.382 464 S HA -0.052 4.418 4.470 -0.000 0.000 0.228 464 S C 2.522 176.985 174.600 -0.229 0.000 1.027 464 S CA 1.179 59.132 58.200 -0.411 0.000 0.991 464 S CB -0.819 61.824 63.200 -0.928 0.000 0.823 464 S HN 1.015 nan 8.310 nan 0.000 0.469 465 A N 2.398 125.172 122.820 -0.077 0.000 1.917 465 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 465 A C 2.069 179.690 177.584 0.062 0.000 1.182 465 A CA 1.835 53.892 52.037 0.035 0.000 0.633 465 A CB -0.826 18.203 19.000 0.048 0.000 0.819 465 A HN 0.774 nan 8.150 nan 0.000 0.448 466 E N -0.434 119.795 120.200 0.049 0.000 2.333 466 E HA -0.267 4.083 4.350 -0.000 0.000 0.200 466 E C 1.514 178.165 176.600 0.084 0.000 1.010 466 E CA 1.423 57.866 56.400 0.072 0.000 0.841 466 E CB -0.220 29.527 29.700 0.079 0.000 0.757 466 E HN 0.517 nan 8.360 nan 0.000 0.508 467 E N 1.044 121.297 120.200 0.089 0.000 2.204 467 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 467 E C 1.788 178.467 176.600 0.130 0.000 0.990 467 E CA 0.735 57.216 56.400 0.136 0.000 0.821 467 E CB -0.180 29.650 29.700 0.215 0.000 0.750 467 E HN 0.453 nan 8.360 nan 0.000 0.477 468 L N -0.834 120.460 121.223 0.117 0.000 2.551 468 L HA -0.076 4.264 4.340 -0.000 0.000 0.228 468 L C 0.744 177.693 176.870 0.132 0.000 1.153 468 L CA 0.239 55.121 54.840 0.071 0.000 0.851 468 L CB 0.031 42.133 42.059 0.071 0.000 0.959 468 L HN 0.176 nan 8.230 nan 0.000 0.451 469 C N -1.080 118.309 119.300 0.148 0.000 2.557 469 C HA 0.301 4.760 4.460 -0.000 0.000 0.281 469 C C 1.316 176.382 174.990 0.127 0.000 1.490 469 C CA -0.343 58.775 59.018 0.167 0.000 1.771 469 C CB -0.751 27.073 27.740 0.140 0.000 2.887 469 C HN 0.332 nan 8.230 nan 0.000 0.527 470 S N -0.122 115.639 115.700 0.102 0.000 2.998 470 S HA 0.289 4.759 4.470 -0.000 0.000 0.256 470 S C -0.047 174.570 174.600 0.029 0.000 0.970 470 S CA -0.187 58.045 58.200 0.053 0.000 1.238 470 S CB 0.033 63.251 63.200 0.030 0.000 1.170 470 S HN 0.536 nan 8.310 nan 0.000 0.663 471 M N 1.655 121.283 119.600 0.047 0.000 2.072 471 M HA 0.453 4.932 4.480 -0.000 0.000 0.331 471 M C 0.720 176.997 176.300 -0.038 0.000 1.004 471 M CA -0.216 55.107 55.300 0.038 0.000 0.952 471 M CB 1.614 34.255 32.600 0.069 0.000 1.511 471 M HN 0.039 nan 8.290 nan 0.000 0.422 472 R N 0.194 120.624 120.500 -0.116 0.000 2.195 472 R HA 0.166 4.506 4.340 -0.000 0.000 0.197 472 R C -0.063 176.310 176.300 0.122 0.000 0.990 472 R CA 0.685 56.589 56.100 -0.327 0.000 1.048 472 R CB 0.724 30.730 30.300 -0.490 0.000 0.997 472 R HN 0.545 nan 8.270 nan 0.000 0.502 473 T N 2.370 117.022 114.554 0.164 0.000 2.792 473 T HA 0.361 4.710 4.350 -0.000 0.000 0.280 473 T C -2.641 172.001 174.700 -0.097 0.000 0.990 473 T CA -1.788 60.364 62.100 0.088 0.000 0.960 473 T CB 2.211 71.089 68.868 0.017 0.000 0.939 473 T HN -0.168 nan 8.240 nan 0.000 0.439 474 P HA 0.180 nan 4.420 nan 0.000 0.268 474 P C 0.456 177.406 177.300 -0.585 0.000 1.204 474 P CA -0.108 62.399 63.100 -0.989 0.000 0.768 474 P CB 0.504 31.387 31.700 -1.361 0.000 0.842 475 S N 1.835 117.207 115.700 -0.546 0.000 2.461 475 S HA 0.057 4.527 4.470 -0.000 0.000 0.228 475 S C 0.363 174.856 174.600 -0.177 0.000 1.005 475 S CA 0.699 58.738 58.200 -0.268 0.000 0.942 475 S CB -0.710 62.395 63.200 -0.159 0.000 0.776 475 S HN 0.714 nan 8.310 nan 0.000 0.514 476 Y N -2.631 117.388 120.300 -0.468 0.000 2.869 476 Y HA 0.636 5.186 4.550 -0.000 0.000 0.337 476 Y C -1.862 173.600 175.900 -0.731 0.000 1.519 476 Y CA -2.115 55.731 58.100 -0.425 0.000 1.101 476 Y CB 0.536 38.888 38.460 -0.180 0.000 2.901 476 Y HN -0.103 nan 8.280 nan 0.000 0.358 477 Y N -1.196 119.194 120.300 0.149 0.000 2.641 477 Y HA 0.581 5.131 4.550 -0.000 0.000 0.333 477 Y C -1.905 173.967 175.900 -0.046 0.000 1.174 477 Y CA -1.437 56.670 58.100 0.011 0.000 1.057 477 Y CB 1.956 40.365 38.460 -0.084 0.000 1.322 477 Y HN 0.579 nan 8.280 nan 0.000 0.457 478 Y N 0.983 121.424 120.300 0.234 0.000 2.326 478 Y HA 0.652 5.202 4.550 -0.000 0.000 0.329 478 Y C -0.766 175.221 175.900 0.146 0.000 0.973 478 Y CA -1.038 57.162 58.100 0.166 0.000 1.162 478 Y CB 1.895 40.438 38.460 0.139 0.000 1.147 478 Y HN 0.292 nan 8.280 nan 0.000 0.456 479 V N 4.392 124.426 119.914 0.200 0.000 2.513 479 V HA 0.242 4.362 4.120 -0.000 0.000 0.299 479 V C 0.294 176.469 176.094 0.135 0.000 1.035 479 V CA -1.202 61.188 62.300 0.150 0.000 0.889 479 V CB 1.652 33.519 31.823 0.074 0.000 0.988 479 V HN 0.862 nan 8.190 nan 0.000 0.440 480 K N 3.395 123.873 120.400 0.130 0.000 3.184 480 K HA -0.304 4.015 4.320 -0.000 0.000 0.301 480 K C 1.073 177.744 176.600 0.118 0.000 1.170 480 K CA 1.093 57.443 56.287 0.105 0.000 0.897 480 K CB -1.205 31.338 32.500 0.071 0.000 1.218 480 K HN 1.411 nan 8.250 nan 0.000 0.441 481 G N 0.479 109.381 108.800 0.171 0.000 2.336 481 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.194 481 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.194 481 G C -0.339 174.713 174.900 0.252 0.000 0.999 481 G CA 0.081 45.296 45.100 0.193 0.000 0.669 481 G HN 0.507 nan 8.290 nan 0.000 0.482 482 E N 0.806 121.112 120.200 0.176 0.000 2.179 482 E HA 0.646 4.995 4.350 -0.000 0.000 0.275 482 E C -0.088 176.474 176.600 -0.063 0.000 0.945 482 E CA -1.012 55.444 56.400 0.093 0.000 0.792 482 E CB 1.716 31.435 29.700 0.033 0.000 1.125 482 E HN 0.224 nan 8.360 nan 0.000 0.397 483 K N 5.098 125.309 120.400 -0.314 0.000 2.412 483 K HA 0.139 4.459 4.320 -0.000 0.000 0.284 483 K C -0.409 175.996 176.600 -0.324 0.000 1.046 483 K CA 0.142 56.011 56.287 -0.698 0.000 0.999 483 K CB 0.243 32.259 32.500 -0.808 0.000 0.941 483 K HN 0.726 nan 8.250 nan 0.000 0.474 484 M N 1.556 121.033 119.600 -0.205 0.000 2.683 484 M HA 0.345 4.824 4.480 -0.000 0.000 0.274 484 M C -1.361 174.978 176.300 0.065 0.000 1.272 484 M CA -0.900 54.352 55.300 -0.080 0.000 0.833 484 M CB 1.985 34.556 32.600 -0.049 0.000 1.708 484 M HN 0.349 nan 8.290 nan 0.000 0.463 485 E N 2.121 122.368 120.200 0.078 0.000 2.206 485 E HA 0.213 4.563 4.350 -0.000 0.000 0.244 485 E C -0.533 176.108 176.600 0.068 0.000 1.055 485 E CA -0.878 55.648 56.400 0.210 0.000 0.970 485 E CB 0.342 30.137 29.700 0.158 0.000 1.256 485 E HN 0.429 nan 8.360 nan 0.000 0.456 486 K N 0.000 120.353 120.400 -0.078 0.000 2.780 486 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 486 K CA 0.000 56.181 56.287 -0.176 0.000 0.838 486 K CB 0.000 32.358 32.500 -0.237 0.000 1.064 486 K HN 0.000 nan 8.250 nan 0.000 0.543