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 2c0q_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.613 176.600 0.022 0.000 1.382 1 E CA 0.000 56.418 56.400 0.030 0.000 0.976 1 E CB 0.000 29.720 29.700 0.034 0.000 0.812 2 G N 0.338 109.150 108.800 0.021 0.000 3.465 2 G HA2 -0.181 3.784 3.960 0.009 0.000 0.196 2 G HA3 -0.181 3.784 3.960 0.009 0.000 0.196 2 G C 0.865 175.775 174.900 0.017 0.000 1.170 2 G CA 0.126 45.236 45.100 0.017 0.000 0.887 2 G HN 0.361 nan 8.290 nan 0.000 0.444 3 R N 1.844 122.355 120.500 0.018 0.000 2.466 3 R HA 0.381 4.726 4.340 0.009 0.000 0.279 3 R C 0.611 176.923 176.300 0.020 0.000 0.976 3 R CA 0.727 56.836 56.100 0.016 0.000 1.081 3 R CB 0.199 30.506 30.300 0.013 0.000 1.215 3 R HN 0.717 nan 8.270 nan 0.000 0.546 4 E N -1.469 118.746 120.200 0.025 0.000 2.393 4 E HA 0.178 4.533 4.350 0.009 0.000 0.265 4 E C -1.116 175.507 176.600 0.040 0.000 0.941 4 E CA -1.005 55.412 56.400 0.030 0.000 0.801 4 E CB 0.709 30.426 29.700 0.029 0.000 1.313 4 E HN -0.213 nan 8.360 nan 0.000 0.435 5 D N 1.775 122.205 120.400 0.051 0.000 2.389 5 D HA 0.019 4.664 4.640 0.009 0.000 0.263 5 D C -1.214 175.124 176.300 0.065 0.000 1.255 5 D CA -1.819 52.225 54.000 0.073 0.000 0.914 5 D CB 1.066 41.933 40.800 0.111 0.000 1.116 5 D HN 0.208 nan 8.370 nan 0.000 0.502 6 P HA -0.170 nan 4.420 nan 0.000 0.218 6 P C 1.003 178.315 177.300 0.019 0.000 1.146 6 P CA 0.847 63.962 63.100 0.026 0.000 0.813 6 P CB 0.401 32.105 31.700 0.007 0.000 0.778 7 Q N -0.909 118.890 119.800 -0.002 0.000 2.472 7 Q HA 0.092 4.437 4.340 0.009 0.000 0.208 7 Q C 1.786 177.857 176.000 0.118 0.000 0.958 7 Q CA 0.634 56.414 55.803 -0.038 0.000 0.932 7 Q CB -0.044 28.493 28.738 -0.335 0.000 1.007 7 Q HN 0.423 nan 8.270 nan 0.000 0.508 8 L N -0.107 121.206 121.223 0.150 0.000 2.693 8 L HA 0.238 4.583 4.340 0.009 0.000 0.235 8 L C 0.072 177.120 176.870 0.296 0.000 1.127 8 L CA 0.007 54.964 54.840 0.194 0.000 0.914 8 L CB 0.457 42.557 42.059 0.070 0.000 1.193 8 L HN -0.021 nan 8.230 nan 0.000 0.502 9 L N 0.839 122.189 121.223 0.212 0.000 2.287 9 L HA 0.533 4.878 4.340 0.009 0.000 0.287 9 L C -0.659 176.272 176.870 0.102 0.000 1.022 9 L CA -0.441 54.505 54.840 0.176 0.000 0.814 9 L CB 1.803 43.922 42.059 0.099 0.000 1.217 9 L HN -0.246 nan 8.230 nan 0.000 0.420 10 V N 3.145 123.097 119.914 0.063 0.000 2.876 10 V HA 0.514 4.639 4.120 0.009 0.000 0.312 10 V C -0.388 175.641 176.094 -0.109 0.000 1.085 10 V CA -0.786 61.403 62.300 -0.185 0.000 0.945 10 V CB 2.699 34.136 31.823 -0.643 0.000 1.017 10 V HN 0.726 nan 8.190 nan 0.000 0.428 11 R N 2.206 122.608 120.500 -0.163 0.000 2.393 11 R HA 0.799 5.144 4.340 0.009 0.000 0.310 11 R C -0.859 175.351 176.300 -0.150 0.000 0.968 11 R CA -0.335 55.705 56.100 -0.101 0.000 0.867 11 R CB 1.761 32.001 30.300 -0.100 0.000 1.124 11 R HN 0.711 nan 8.270 nan 0.000 0.450 12 V N 1.858 121.740 119.914 -0.053 0.000 3.166 12 V HA 0.500 4.625 4.120 0.009 0.000 0.317 12 V C 1.111 177.129 176.094 -0.127 0.000 1.136 12 V CA -1.019 61.240 62.300 -0.069 0.000 1.035 12 V CB 1.637 33.548 31.823 0.147 0.000 1.110 12 V HN 0.841 nan 8.190 nan 0.000 0.450 13 R N 1.388 121.796 120.500 -0.154 0.000 2.170 13 R HA -0.024 4.321 4.340 0.009 0.000 0.242 13 R C 1.642 177.820 176.300 -0.203 0.000 1.145 13 R CA 2.338 58.344 56.100 -0.157 0.000 0.984 13 R CB -1.057 29.161 30.300 -0.136 0.000 0.869 13 R HN 1.043 nan 8.270 nan 0.000 0.455 14 G N -2.253 106.378 108.800 -0.282 0.000 2.921 14 G HA2 0.441 4.407 3.960 0.009 0.000 0.213 14 G HA3 0.441 4.407 3.960 0.009 0.000 0.213 14 G C 0.287 174.298 174.900 -1.482 0.000 1.143 14 G CA 0.244 44.952 45.100 -0.653 0.000 0.764 14 G HN 0.689 nan 8.290 nan 0.000 0.542 15 G N -0.915 107.241 108.800 -1.074 0.000 2.350 15 G HA2 0.244 4.209 3.960 0.009 0.000 0.276 15 G HA3 0.244 4.209 3.960 0.009 0.000 0.276 15 G C -1.522 173.316 174.900 -0.102 0.000 1.313 15 G CA -0.900 43.658 45.100 -0.903 0.000 0.903 15 G HN 0.149 nan 8.290 nan 0.000 0.490 16 Q N -0.121 119.801 119.800 0.203 0.000 2.235 16 Q HA 0.654 4.999 4.340 0.009 0.000 0.250 16 Q C -0.682 175.602 176.000 0.475 0.000 0.909 16 Q CA -0.189 55.787 55.803 0.287 0.000 0.910 16 Q CB 2.087 30.942 28.738 0.194 0.000 1.223 16 Q HN 0.443 nan 8.270 nan 0.000 0.432 17 L N 1.358 122.791 121.223 0.350 0.000 2.370 17 L HA 0.594 4.939 4.340 0.009 0.000 0.266 17 L C -0.218 176.855 176.870 0.339 0.000 1.002 17 L CA -0.770 54.291 54.840 0.368 0.000 0.818 17 L CB 2.228 44.561 42.059 0.456 0.000 1.325 17 L HN 0.366 nan 8.230 nan 0.000 0.418 18 R N 0.744 121.405 120.500 0.268 0.000 2.343 18 R HA 0.611 4.956 4.340 0.009 0.000 0.320 18 R C -0.175 176.189 176.300 0.107 0.000 0.956 18 R CA -0.308 55.906 56.100 0.191 0.000 0.836 18 R CB 1.686 32.041 30.300 0.092 0.000 1.151 18 R HN 0.879 nan 8.270 nan 0.000 0.450 19 G N 3.181 111.935 108.800 -0.076 0.000 2.532 19 G HA2 0.437 4.402 3.960 0.009 0.000 0.291 19 G HA3 0.437 4.402 3.960 0.009 0.000 0.291 19 G C -0.873 173.783 174.900 -0.408 0.000 1.349 19 G CA -0.605 44.088 45.100 -0.678 0.000 1.038 19 G HN 0.570 nan 8.290 nan 0.000 0.518 20 I N -1.042 119.256 120.570 -0.454 0.000 2.608 20 I HA 0.505 4.680 4.170 0.009 0.000 0.295 20 I C -0.001 175.986 176.117 -0.217 0.000 1.049 20 I CA -1.148 59.995 61.300 -0.261 0.000 1.063 20 I CB 2.068 39.930 38.000 -0.230 0.000 1.248 20 I HN 0.407 nan 8.210 nan 0.000 0.424 21 R N 7.570 127.980 120.500 -0.150 0.000 2.265 21 R HA 0.566 4.911 4.340 0.009 0.000 0.314 21 R C -1.791 174.398 176.300 -0.185 0.000 1.053 21 R CA -0.344 55.640 56.100 -0.194 0.000 0.931 21 R CB 0.640 30.773 30.300 -0.279 0.000 1.024 21 R HN 0.657 nan 8.270 nan 0.000 0.457 22 L N 3.970 125.096 121.223 -0.160 0.000 2.354 22 L HA 0.472 4.817 4.340 0.009 0.000 0.269 22 L C -0.183 176.613 176.870 -0.122 0.000 1.005 22 L CA -1.065 53.709 54.840 -0.111 0.000 0.819 22 L CB 2.300 44.336 42.059 -0.039 0.000 1.311 22 L HN 0.517 nan 8.230 nan 0.000 0.423 23 K N 1.784 122.122 120.400 -0.104 0.000 2.297 23 K HA 0.595 4.920 4.320 0.009 0.000 0.286 23 K C -0.428 176.113 176.600 -0.100 0.000 1.053 23 K CA -0.271 55.961 56.287 -0.092 0.000 0.940 23 K CB 1.571 34.032 32.500 -0.066 0.000 1.019 23 K HN 0.643 nan 8.250 nan 0.000 0.475 24 A N 4.502 127.268 122.820 -0.089 0.000 2.299 24 A HA 0.460 4.785 4.320 0.009 0.000 0.332 24 A C -1.868 175.724 177.584 0.015 0.000 1.131 24 A CA -1.692 50.294 52.037 -0.086 0.000 0.844 24 A CB 0.521 19.454 19.000 -0.110 0.000 1.251 24 A HN 0.445 nan 8.150 nan 0.000 0.486 25 P HA -0.184 nan 4.420 nan 0.000 0.217 25 P C 1.218 178.551 177.300 0.055 0.000 1.162 25 P CA 2.398 65.555 63.100 0.095 0.000 0.901 25 P CB 0.162 31.948 31.700 0.143 0.000 0.793 26 G N -2.466 106.369 108.800 0.057 0.000 3.284 26 G HA2 0.482 4.447 3.960 0.009 0.000 0.236 26 G HA3 0.482 4.447 3.960 0.009 0.000 0.236 26 G C 0.403 175.321 174.900 0.031 0.000 1.158 26 G CA 0.383 45.508 45.100 0.041 0.000 0.774 26 G HN 0.646 nan 8.290 nan 0.000 0.545 27 G N -0.234 108.576 108.800 0.016 0.000 2.369 27 G HA2 0.290 4.255 3.960 0.009 0.000 0.307 27 G HA3 0.290 4.255 3.960 0.009 0.000 0.307 27 G C -3.367 171.518 174.900 -0.024 0.000 1.327 27 G CA -0.729 44.373 45.100 0.004 0.000 0.963 27 G HN 0.079 nan 8.290 nan 0.000 0.590 28 P HA 0.540 nan 4.420 nan 0.000 0.277 28 P C 0.014 177.293 177.300 -0.034 0.000 1.240 28 P CA -0.186 62.822 63.100 -0.152 0.000 0.798 28 P CB 1.670 33.123 31.700 -0.411 0.000 0.979 29 V N -1.637 118.260 119.914 -0.029 0.000 3.001 29 V HA 0.632 4.757 4.120 0.009 0.000 0.314 29 V C -0.206 175.985 176.094 0.161 0.000 1.099 29 V CA -0.929 61.451 62.300 0.132 0.000 0.989 29 V CB 1.735 33.652 31.823 0.157 0.000 1.040 29 V HN 0.441 nan 8.190 nan 0.000 0.434 30 S N 1.613 117.483 115.700 0.284 0.000 2.457 30 S HA 0.817 5.292 4.470 0.009 0.000 0.289 30 S C 0.001 174.636 174.600 0.059 0.000 1.163 30 S CA 0.094 58.412 58.200 0.197 0.000 1.078 30 S CB 0.867 64.284 63.200 0.362 0.000 0.987 30 S HN 1.527 nan 8.310 nan 0.000 0.482 31 A N 3.604 126.271 122.820 -0.256 0.000 2.343 31 A HA 0.796 5.121 4.320 0.009 0.000 0.316 31 A C -1.249 175.927 177.584 -0.680 0.000 1.104 31 A CA -0.563 51.194 52.037 -0.467 0.000 0.768 31 A CB 0.457 19.129 19.000 -0.546 0.000 1.213 31 A HN 0.687 nan 8.150 nan 0.000 0.456 32 F N 2.660 122.441 119.950 -0.282 0.000 2.382 32 F HA 0.511 5.043 4.527 0.008 0.000 0.361 32 F C -0.166 175.447 175.800 -0.313 0.000 1.109 32 F CA -0.375 57.531 58.000 -0.158 0.000 1.031 32 F CB 1.373 40.423 39.000 0.083 0.000 1.234 32 F HN 0.333 nan 8.300 nan 0.000 0.445 33 L N 2.419 123.502 121.223 -0.233 0.000 2.329 33 L HA 0.690 5.035 4.340 0.009 0.000 0.279 33 L C 0.755 177.528 176.870 -0.162 0.000 1.014 33 L CA -1.033 53.604 54.840 -0.338 0.000 0.814 33 L CB 1.823 43.491 42.059 -0.651 0.000 1.257 33 L HN 0.837 nan 8.230 nan 0.000 0.424 34 G N 3.336 112.103 108.800 -0.056 0.000 2.256 34 G HA2 -0.250 3.715 3.960 0.009 0.000 0.272 34 G HA3 -0.250 3.715 3.960 0.009 0.000 0.272 34 G C -0.190 174.773 174.900 0.106 0.000 1.076 34 G CA -0.361 44.746 45.100 0.013 0.000 0.882 34 G HN 0.493 nan 8.290 nan 0.000 0.497 35 I N 2.180 122.797 120.570 0.079 0.000 2.452 35 I HA 0.234 4.409 4.170 0.009 0.000 0.287 35 I C -1.378 174.766 176.117 0.044 0.000 1.079 35 I CA -2.075 59.248 61.300 0.038 0.000 1.387 35 I CB 0.966 38.942 38.000 -0.040 0.000 1.404 35 I HN -0.004 nan 8.210 nan 0.000 0.522 36 P HA 0.042 nan 4.420 nan 0.000 0.276 36 P C -0.200 177.018 177.300 -0.137 0.000 1.230 36 P CA 0.007 62.914 63.100 -0.322 0.000 0.776 36 P CB 0.525 32.004 31.700 -0.368 0.000 0.888 37 F N 0.816 120.604 119.950 -0.269 0.000 2.706 37 F HA 0.713 5.246 4.527 0.009 0.000 0.313 37 F C 0.150 175.938 175.800 -0.020 0.000 1.096 37 F CA -0.672 57.248 58.000 -0.133 0.000 1.219 37 F CB 0.212 39.050 39.000 -0.271 0.000 1.051 37 F HN 0.313 nan 8.300 nan 0.000 0.568 38 A N 0.128 122.642 122.820 -0.512 0.000 2.566 38 A HA 0.597 4.922 4.320 0.009 0.000 0.292 38 A C -0.824 176.593 177.584 -0.277 0.000 1.112 38 A CA -0.781 51.055 52.037 -0.335 0.000 0.707 38 A CB 1.045 19.757 19.000 -0.481 0.000 1.302 38 A HN 0.062 nan 8.150 nan 0.000 0.409 39 E N 1.025 121.139 120.200 -0.144 0.000 2.392 39 E HA 0.256 4.611 4.350 0.009 0.000 0.264 39 E C -2.342 174.161 176.600 -0.162 0.000 1.024 39 E CA -1.399 54.933 56.400 -0.114 0.000 0.903 39 E CB 0.134 29.807 29.700 -0.046 0.000 0.963 39 E HN 0.227 nan 8.360 nan 0.000 0.432 40 P HA 0.013 nan 4.420 nan 0.000 0.261 40 P C -2.200 175.037 177.300 -0.106 0.000 1.203 40 P CA -0.790 62.227 63.100 -0.138 0.000 0.767 40 P CB -0.039 31.616 31.700 -0.074 0.000 0.785 41 P HA -0.021 nan 4.420 nan 0.000 0.232 41 P C -0.037 177.205 177.300 -0.096 0.000 1.738 41 P CA 0.222 63.266 63.100 -0.093 0.000 0.948 41 P CB -0.212 31.436 31.700 -0.086 0.000 1.943 42 V N -2.883 116.980 119.914 -0.084 0.000 3.267 42 V HA 0.879 5.004 4.120 0.009 0.000 0.317 42 V C 1.139 177.186 176.094 -0.077 0.000 1.131 42 V CA 0.183 62.430 62.300 -0.087 0.000 1.031 42 V CB 0.590 32.372 31.823 -0.069 0.000 1.159 42 V HN 0.505 nan 8.190 nan 0.000 0.454 43 G N 1.834 110.589 108.800 -0.075 0.000 2.634 43 G HA2 -0.370 3.595 3.960 0.009 0.000 0.318 43 G HA3 -0.370 3.595 3.960 0.009 0.000 0.318 43 G C 1.227 176.094 174.900 -0.056 0.000 1.207 43 G CA 1.945 47.012 45.100 -0.054 0.000 0.987 43 G HN 2.352 nan 8.290 nan 0.000 0.547 44 S N 0.414 116.095 115.700 -0.033 0.000 2.555 44 S HA 0.109 4.584 4.470 0.009 0.000 0.230 44 S C 1.874 176.461 174.600 -0.023 0.000 0.978 44 S CA 1.409 59.598 58.200 -0.018 0.000 0.934 44 S CB 0.047 63.246 63.200 -0.002 0.000 0.766 44 S HN 0.687 nan 8.310 nan 0.000 0.533 45 R N 0.846 121.318 120.500 -0.046 0.000 2.317 45 R HA 0.243 4.588 4.340 0.009 0.000 0.208 45 R C 0.921 177.170 176.300 -0.085 0.000 0.914 45 R CA -0.244 55.829 56.100 -0.045 0.000 1.060 45 R CB 0.051 30.325 30.300 -0.043 0.000 1.015 45 R HN 0.362 nan 8.270 nan 0.000 0.498 46 R N 1.003 121.399 120.500 -0.173 0.000 2.522 46 R HA -0.119 4.226 4.340 0.009 0.000 0.284 46 R C -0.483 175.564 176.300 -0.421 0.000 1.032 46 R CA 0.604 56.465 56.100 -0.399 0.000 1.049 46 R CB 0.138 30.077 30.300 -0.601 0.000 0.956 46 R HN 0.128 nan 8.270 nan 0.000 0.422 47 F N -0.690 119.260 119.950 -0.000 0.000 2.656 47 F HA -0.294 4.238 4.527 0.008 0.000 0.381 47 F C 0.027 175.803 175.800 -0.041 0.000 0.603 47 F CA 0.612 58.584 58.000 -0.047 0.000 1.335 47 F CB -1.691 37.267 39.000 -0.069 0.000 1.836 47 F HN 0.477 nan 8.300 nan 0.000 0.290 48 M N 0.807 120.461 119.600 0.090 0.000 2.478 48 M HA 0.434 4.919 4.480 0.009 0.000 0.327 48 M C -2.002 174.318 176.300 0.033 0.000 1.187 48 M CA -1.499 53.837 55.300 0.059 0.000 1.022 48 M CB 1.072 33.699 32.600 0.044 0.000 1.629 48 M HN -0.387 nan 8.290 nan 0.000 0.461 49 P HA 0.003 nan 4.420 nan 0.000 0.267 49 P C -2.440 174.883 177.300 0.039 0.000 1.195 49 P CA -0.331 62.796 63.100 0.046 0.000 0.773 49 P CB -0.397 31.338 31.700 0.059 0.000 0.837 50 P HA 0.139 nan 4.420 nan 0.000 0.275 50 P C -0.619 176.710 177.300 0.047 0.000 1.228 50 P CA 0.147 63.270 63.100 0.037 0.000 0.786 50 P CB 0.904 32.651 31.700 0.078 0.000 0.927 51 E N 2.991 123.204 120.200 0.021 0.000 2.191 51 E HA 0.336 4.691 4.350 0.009 0.000 0.278 51 E C -2.261 174.365 176.600 0.044 0.000 0.972 51 E CA -2.233 54.188 56.400 0.035 0.000 0.804 51 E CB 0.671 30.382 29.700 0.019 0.000 1.110 51 E HN 0.324 nan 8.360 nan 0.000 0.394 52 P HA -0.092 nan 4.420 nan 0.000 0.265 52 P C -0.584 176.773 177.300 0.095 0.000 1.187 52 P CA 0.036 63.208 63.100 0.119 0.000 0.766 52 P CB 0.387 32.163 31.700 0.126 0.000 0.820 53 K N 3.925 124.401 120.400 0.126 0.000 2.402 53 K HA 0.038 4.363 4.320 0.009 0.000 0.285 53 K C -0.122 176.580 176.600 0.169 0.000 1.054 53 K CA 0.204 56.569 56.287 0.131 0.000 1.001 53 K CB -0.160 32.453 32.500 0.187 0.000 0.946 53 K HN 0.173 nan 8.250 nan 0.000 0.473 54 R N 5.423 125.999 120.500 0.127 0.000 2.538 54 R HA 0.080 4.425 4.340 0.009 0.000 0.282 54 R C -2.071 174.325 176.300 0.161 0.000 1.009 54 R CA -0.968 55.198 56.100 0.111 0.000 1.063 54 R CB -0.106 30.245 30.300 0.085 0.000 0.945 54 R HN 0.581 nan 8.270 nan 0.000 0.414 55 P HA -0.073 nan 4.420 nan 0.000 0.267 55 P C -1.166 176.166 177.300 0.054 0.000 1.201 55 P CA 0.212 63.254 63.100 -0.097 0.000 0.775 55 P CB 0.302 31.896 31.700 -0.176 0.000 0.854 56 W N 0.611 121.942 121.300 0.052 0.000 2.850 56 W HA 0.708 5.373 4.660 0.008 0.000 0.349 56 W C -0.739 175.805 176.519 0.042 0.000 1.133 56 W CA -0.955 56.418 57.345 0.047 0.000 1.117 56 W CB 0.073 29.568 29.460 0.059 0.000 1.442 56 W HN 0.377 nan 8.180 nan 0.000 0.575 57 S N 1.123 116.999 115.700 0.293 0.000 2.651 57 S HA 0.868 5.344 4.470 0.009 0.000 0.291 57 S C 0.354 175.124 174.600 0.284 0.000 1.141 57 S CA -0.034 58.275 58.200 0.182 0.000 1.027 57 S CB 0.966 64.229 63.200 0.106 0.000 1.043 57 S HN 2.203 nan 8.310 nan 0.000 0.530 58 G N -0.083 108.831 108.800 0.189 0.000 2.693 58 G HA2 -0.122 3.843 3.960 0.009 0.000 0.226 58 G HA3 -0.122 3.843 3.960 0.009 0.000 0.226 58 G C -0.744 174.314 174.900 0.265 0.000 1.354 58 G CA -0.421 44.788 45.100 0.182 0.000 0.873 58 G HN 1.658 nan 8.290 nan 0.000 0.562 59 V N 0.934 120.968 119.914 0.200 0.000 2.364 59 V HA 0.510 4.635 4.120 0.009 0.000 0.272 59 V C 1.010 177.210 176.094 0.177 0.000 1.036 59 V CA -0.279 62.152 62.300 0.219 0.000 0.880 59 V CB 1.128 33.037 31.823 0.143 0.000 0.991 59 V HN 0.800 nan 8.190 nan 0.000 0.460 60 L N 4.118 125.462 121.223 0.202 0.000 2.410 60 L HA 0.319 4.664 4.340 0.009 0.000 0.273 60 L C 0.427 177.296 176.870 -0.001 0.000 1.152 60 L CA -0.106 54.695 54.840 -0.065 0.000 0.855 60 L CB 0.857 42.606 42.059 -0.517 0.000 1.129 60 L HN 0.779 nan 8.230 nan 0.000 0.463 61 D N 4.362 124.736 120.400 -0.043 0.000 2.338 61 D HA 0.312 4.957 4.640 0.009 0.000 0.255 61 D C -0.056 176.211 176.300 -0.054 0.000 1.237 61 D CA 0.053 54.034 54.000 -0.031 0.000 0.883 61 D CB 1.042 41.814 40.800 -0.047 0.000 1.087 61 D HN 0.602 nan 8.370 nan 0.000 0.485 62 A N 3.396 126.207 122.820 -0.015 0.000 3.219 62 A HA 0.263 4.588 4.320 0.009 0.000 0.314 62 A C 0.910 178.413 177.584 -0.135 0.000 1.081 62 A CA -0.433 51.585 52.037 -0.032 0.000 0.995 62 A CB -0.161 18.916 19.000 0.128 0.000 1.067 62 A HN 0.607 nan 8.150 nan 0.000 0.533 63 T N -3.203 111.251 114.554 -0.167 0.000 3.044 63 T HA 0.287 4.642 4.350 0.009 0.000 0.260 63 T C 0.586 175.129 174.700 -0.261 0.000 1.019 63 T CA 0.689 62.660 62.100 -0.216 0.000 0.921 63 T CB -0.196 68.578 68.868 -0.156 0.000 1.053 63 T HN 0.658 nan 8.240 nan 0.000 0.533 64 T N -0.445 113.948 114.554 -0.267 0.000 2.883 64 T HA 0.691 5.046 4.350 0.009 0.000 0.301 64 T C -0.785 173.737 174.700 -0.297 0.000 1.158 64 T CA -0.916 61.010 62.100 -0.289 0.000 1.007 64 T CB 0.979 69.754 68.868 -0.156 0.000 1.186 64 T HN -0.009 nan 8.240 nan 0.000 0.499 65 F N 1.831 121.720 119.950 -0.102 0.000 2.553 65 F HA 0.321 4.853 4.527 0.008 0.000 0.356 65 F C 1.477 177.181 175.800 -0.160 0.000 1.142 65 F CA -0.086 57.854 58.000 -0.100 0.000 1.322 65 F CB 0.418 39.388 39.000 -0.051 0.000 1.126 65 F HN 0.462 nan 8.300 nan 0.000 0.599 66 Q N 1.039 120.841 119.800 0.005 0.000 2.239 66 Q HA 0.247 4.592 4.340 0.009 0.000 0.193 66 Q C -0.221 175.683 176.000 -0.160 0.000 1.004 66 Q CA -0.837 54.808 55.803 -0.264 0.000 1.040 66 Q CB 0.552 28.840 28.738 -0.750 0.000 1.149 66 Q HN 0.512 nan 8.270 nan 0.000 0.535 67 N N -0.121 118.437 118.700 -0.236 0.000 2.345 67 N HA 0.002 4.748 4.740 0.009 0.000 0.243 67 N C -0.541 174.942 175.510 -0.045 0.000 1.246 67 N CA 0.189 53.172 53.050 -0.113 0.000 0.863 67 N CB 0.348 38.785 38.487 -0.082 0.000 1.096 67 N HN 0.162 nan 8.380 nan 0.000 0.446 68 V N 1.640 121.512 119.914 -0.070 0.000 2.567 68 V HA 0.121 4.246 4.120 0.009 0.000 0.289 68 V C 0.643 176.694 176.094 -0.072 0.000 1.049 68 V CA -0.864 61.389 62.300 -0.078 0.000 0.969 68 V CB 1.221 32.963 31.823 -0.134 0.000 0.995 68 V HN 0.713 nan 8.190 nan 0.000 0.471 69 c N 3.823 122.401 118.600 -0.037 0.000 2.679 69 c HA 0.108 4.683 4.570 0.009 0.000 0.417 69 c C 0.466 174.517 174.090 -0.066 0.000 1.302 69 c CA -0.529 55.784 56.329 -0.027 0.000 1.973 69 c CB -0.925 41.601 42.510 0.027 0.000 2.715 69 c HN 0.753 nan 8.230 nan 0.000 0.628 70 Y N 3.757 123.921 120.300 -0.227 0.000 2.632 70 Y HA 0.268 4.824 4.550 0.009 0.000 0.329 70 Y C 0.803 176.711 175.900 0.013 0.000 1.174 70 Y CA 0.975 58.931 58.100 -0.242 0.000 1.469 70 Y CB 0.126 38.202 38.460 -0.639 0.000 1.242 70 Y HN 0.741 nan 8.280 nan 0.000 0.540 71 Q N 4.029 123.885 119.800 0.093 0.000 2.575 71 Q HA 0.204 4.549 4.340 0.009 0.000 0.290 71 Q C -1.789 174.406 176.000 0.325 0.000 0.963 71 Q CA -1.216 54.776 55.803 0.315 0.000 0.783 71 Q CB 1.262 30.135 28.738 0.226 0.000 1.467 71 Q HN 0.681 nan 8.270 nan 0.000 0.402 72 Y N 1.206 121.723 120.300 0.362 0.000 2.717 72 Y HA 0.264 4.819 4.550 0.008 0.000 0.330 72 Y C -0.864 175.196 175.900 0.266 0.000 1.217 72 Y CA 0.246 58.559 58.100 0.355 0.000 1.506 72 Y CB 0.750 39.528 38.460 0.530 0.000 1.268 72 Y HN 0.407 nan 8.280 nan 0.000 0.561 73 V N 7.190 126.838 119.914 -0.444 0.000 2.347 73 V HA 0.088 4.213 4.120 0.009 0.000 0.280 73 V C -0.328 175.397 176.094 -0.615 0.000 1.021 73 V CA -0.900 61.188 62.300 -0.352 0.000 0.847 73 V CB 1.287 32.990 31.823 -0.200 0.000 0.990 73 V HN 0.776 nan 8.190 nan 0.000 0.444 74 D N 3.535 123.790 120.400 -0.242 0.000 2.389 74 D HA 0.261 4.906 4.640 0.009 0.000 0.247 74 D C 0.945 177.264 176.300 0.031 0.000 1.128 74 D CA 0.390 54.381 54.000 -0.014 0.000 0.884 74 D CB 1.338 42.351 40.800 0.355 0.000 1.194 74 D HN 0.705 nan 8.370 nan 0.000 0.441 75 T N 1.262 115.846 114.554 0.051 0.000 3.209 75 T HA 0.036 4.391 4.350 0.009 0.000 0.295 75 T C 1.527 176.243 174.700 0.027 0.000 0.977 75 T CA -0.456 61.670 62.100 0.044 0.000 0.922 75 T CB -0.162 68.704 68.868 -0.003 0.000 1.152 75 T HN 0.254 nan 8.240 nan 0.000 0.527 76 L N 1.091 122.328 121.223 0.022 0.000 2.064 76 L HA -0.016 4.329 4.340 0.009 0.000 0.216 76 L C -0.312 176.281 176.870 -0.462 0.000 1.077 76 L CA 1.771 56.448 54.840 -0.272 0.000 0.766 76 L CB -0.547 41.271 42.059 -0.403 0.000 0.890 76 L HN 0.521 nan 8.230 nan 0.000 0.435 77 Y N -1.278 119.065 120.300 0.073 0.000 2.609 77 Y HA 0.401 4.956 4.550 0.009 0.000 0.350 77 Y C -2.209 173.746 175.900 0.093 0.000 1.050 77 Y CA -3.040 55.082 58.100 0.037 0.000 1.290 77 Y CB 0.206 38.664 38.460 -0.002 0.000 1.094 77 Y HN 0.002 nan 8.280 nan 0.000 0.583 78 P HA 0.131 nan 4.420 nan 0.000 0.266 78 P C 1.079 178.446 177.300 0.111 0.000 1.195 78 P CA 1.505 64.668 63.100 0.104 0.000 0.768 78 P CB 0.954 32.685 31.700 0.051 0.000 0.838 79 G N 2.014 110.859 108.800 0.074 0.000 2.284 79 G HA2 -0.313 3.653 3.960 0.009 0.000 0.261 79 G HA3 -0.313 3.653 3.960 0.009 0.000 0.261 79 G C 0.100 175.040 174.900 0.067 0.000 0.997 79 G CA -0.178 44.950 45.100 0.046 0.000 0.621 79 G HN 0.552 nan 8.290 nan 0.000 0.534 80 F N 2.572 122.481 119.950 -0.069 0.000 2.471 80 F HA 0.561 5.093 4.527 0.008 0.000 0.365 80 F C 1.405 177.100 175.800 -0.175 0.000 1.095 80 F CA -0.381 57.525 58.000 -0.157 0.000 1.174 80 F CB 1.116 39.995 39.000 -0.200 0.000 1.105 80 F HN 0.242 nan 8.300 nan 0.000 0.535 81 E N 4.295 124.083 120.200 -0.687 0.000 2.070 81 E HA -0.141 4.214 4.350 0.009 0.000 0.197 81 E C 2.285 178.374 176.600 -0.852 0.000 1.004 81 E CA 2.074 58.082 56.400 -0.654 0.000 0.805 81 E CB -0.607 28.786 29.700 -0.512 0.000 0.744 81 E HN 0.883 nan 8.360 nan 0.000 0.451 82 G N -0.923 106.882 108.800 -1.657 0.000 2.507 82 G HA2 -0.354 3.612 3.960 0.009 0.000 0.221 82 G HA3 -0.354 3.612 3.960 0.009 0.000 0.221 82 G C 1.704 176.561 174.900 -0.072 0.000 1.119 82 G CA 1.938 46.370 45.100 -1.113 0.000 0.751 82 G HN 0.521 nan 8.290 nan 0.000 0.574 83 T N -2.258 112.242 114.554 -0.090 0.000 3.021 83 T HA 0.138 4.493 4.350 0.009 0.000 0.245 83 T C 1.946 176.789 174.700 0.237 0.000 1.028 83 T CA 0.856 63.241 62.100 0.475 0.000 1.139 83 T CB 0.011 69.270 68.868 0.651 0.000 0.884 83 T HN 0.125 nan 8.240 nan 0.000 0.457 84 E N 2.438 122.639 120.200 0.002 0.000 2.118 84 E HA -0.156 4.199 4.350 0.009 0.000 0.195 84 E C 2.274 178.775 176.600 -0.165 0.000 0.992 84 E CA 1.575 57.941 56.400 -0.057 0.000 0.804 84 E CB -0.598 29.036 29.700 -0.111 0.000 0.741 84 E HN 0.802 nan 8.360 nan 0.000 0.458 85 M N -1.912 117.485 119.600 -0.339 0.000 2.337 85 M HA -0.134 4.351 4.480 0.009 0.000 0.261 85 M C 1.329 177.248 176.300 -0.634 0.000 1.067 85 M CA 1.613 56.568 55.300 -0.575 0.000 1.074 85 M CB -0.623 31.489 32.600 -0.812 0.000 1.395 85 M HN 0.032 nan 8.290 nan 0.000 0.431 86 W N 0.966 122.208 121.300 -0.097 0.000 3.278 86 W HA 0.283 4.947 4.660 0.008 0.000 0.308 86 W C 0.224 176.676 176.519 -0.112 0.000 1.253 86 W CA -1.049 56.224 57.345 -0.119 0.000 1.759 86 W CB -0.109 29.328 29.460 -0.037 0.000 1.093 86 W HN 0.129 nan 8.180 nan 0.000 0.648 87 N N 1.393 120.125 118.700 0.053 0.000 2.530 87 N HA 0.177 4.922 4.740 0.009 0.000 0.277 87 N C -2.415 173.050 175.510 -0.075 0.000 1.168 87 N CA -1.803 51.254 53.050 0.011 0.000 0.979 87 N CB 0.179 38.667 38.487 0.001 0.000 1.141 87 N HN -0.344 nan 8.380 nan 0.000 0.459 88 P HA 0.014 nan 4.420 nan 0.000 0.263 88 P C 0.115 177.334 177.300 -0.135 0.000 1.175 88 P CA 0.218 63.239 63.100 -0.132 0.000 0.761 88 P CB 0.312 31.930 31.700 -0.136 0.000 0.794 89 N N 2.119 120.726 118.700 -0.155 0.000 2.235 89 N HA 0.099 4.844 4.740 0.009 0.000 0.231 89 N C 0.077 175.521 175.510 -0.109 0.000 1.177 89 N CA -0.091 52.876 53.050 -0.138 0.000 0.874 89 N CB 0.498 38.883 38.487 -0.170 0.000 1.097 89 N HN 0.150 nan 8.380 nan 0.000 0.518 90 R N 0.136 120.570 120.500 -0.110 0.000 2.817 90 R HA 0.261 4.606 4.340 0.009 0.000 0.268 90 R C -0.748 175.492 176.300 -0.100 0.000 1.027 90 R CA -0.656 55.393 56.100 -0.085 0.000 0.928 90 R CB 1.101 31.362 30.300 -0.065 0.000 1.228 90 R HN 0.290 nan 8.270 nan 0.000 0.469 91 E N 1.668 121.815 120.200 -0.090 0.000 2.465 91 E HA -0.021 4.334 4.350 0.009 0.000 0.260 91 E C -0.474 176.051 176.600 -0.126 0.000 0.980 91 E CA 0.032 56.375 56.400 -0.096 0.000 0.927 91 E CB 0.482 30.138 29.700 -0.073 0.000 0.934 91 E HN 0.277 nan 8.360 nan 0.000 0.459 92 L N 4.115 125.227 121.223 -0.185 0.000 2.418 92 L HA 0.151 4.496 4.340 0.009 0.000 0.274 92 L C 0.362 177.148 176.870 -0.139 0.000 1.135 92 L CA 0.113 54.770 54.840 -0.305 0.000 0.870 92 L CB 0.738 42.388 42.059 -0.682 0.000 1.154 92 L HN 0.419 nan 8.230 nan 0.000 0.462 93 S N 1.691 117.370 115.700 -0.036 0.000 2.550 93 S HA 0.250 4.725 4.470 0.009 0.000 0.270 93 S C 0.301 174.921 174.600 0.034 0.000 1.145 93 S CA -0.697 57.553 58.200 0.084 0.000 0.852 93 S CB 1.816 65.030 63.200 0.023 0.000 1.119 93 S HN 0.722 nan 8.310 nan 0.000 0.465 94 E N 0.657 120.838 120.200 -0.030 0.000 2.358 94 E HA -0.028 4.327 4.350 0.009 0.000 0.195 94 E C -0.388 176.168 176.600 -0.073 0.000 1.010 94 E CA 0.434 56.742 56.400 -0.152 0.000 0.856 94 E CB 0.138 29.697 29.700 -0.236 0.000 0.795 94 E HN 0.573 nan 8.360 nan 0.000 0.504 95 D N 0.251 120.643 120.400 -0.012 0.000 2.483 95 D HA -0.007 4.638 4.640 0.009 0.000 0.220 95 D C 0.045 176.454 176.300 0.182 0.000 1.173 95 D CA -0.307 53.722 54.000 0.048 0.000 0.964 95 D CB -0.068 40.770 40.800 0.062 0.000 1.046 95 D HN 0.126 nan 8.370 nan 0.000 0.517 96 c N 2.207 120.892 118.600 0.142 0.000 3.772 96 c HA 0.379 4.954 4.570 0.009 0.000 0.293 96 c C 0.731 174.951 174.090 0.217 0.000 1.659 96 c CA -0.669 55.805 56.329 0.242 0.000 1.810 96 c CB -1.255 41.313 42.510 0.097 0.000 3.059 96 c HN 0.439 nan 8.230 nan 0.000 0.617 97 L N 2.536 123.648 121.223 -0.186 0.000 2.384 97 L HA 0.367 4.712 4.340 0.009 0.000 0.258 97 L C -0.846 175.469 176.870 -0.925 0.000 1.266 97 L CA 0.502 55.001 54.840 -0.568 0.000 1.162 97 L CB -0.705 40.872 42.059 -0.802 0.000 1.375 97 L HN 0.424 nan 8.230 nan 0.000 0.420 98 Y N 1.629 121.898 120.300 -0.052 0.000 2.570 98 Y HA 0.659 5.214 4.550 0.008 0.000 0.345 98 Y C 0.014 176.118 175.900 0.340 0.000 1.014 98 Y CA -1.230 56.923 58.100 0.088 0.000 1.063 98 Y CB 1.944 40.413 38.460 0.015 0.000 1.272 98 Y HN 0.179 nan 8.280 nan 0.000 0.477 99 L N -0.447 120.973 121.223 0.329 0.000 2.277 99 L HA 0.759 5.104 4.340 0.009 0.000 0.254 99 L C -1.423 175.450 176.870 0.006 0.000 1.044 99 L CA -1.322 53.585 54.840 0.111 0.000 0.842 99 L CB 1.706 43.645 42.059 -0.201 0.000 1.422 99 L HN 0.513 nan 8.230 nan 0.000 0.422 100 N N -0.177 118.516 118.700 -0.011 0.000 2.225 100 N HA 0.704 5.449 4.740 0.009 0.000 0.298 100 N C -1.581 173.827 175.510 -0.170 0.000 1.076 100 N CA -0.402 52.568 53.050 -0.133 0.000 0.792 100 N CB 2.921 41.342 38.487 -0.111 0.000 1.498 100 N HN 0.497 nan 8.380 nan 0.000 0.474 101 V N 1.423 121.166 119.914 -0.285 0.000 2.588 101 V HA 0.481 4.606 4.120 0.009 0.000 0.304 101 V C -0.794 175.209 176.094 -0.153 0.000 1.042 101 V CA -0.734 61.469 62.300 -0.163 0.000 0.877 101 V CB 2.260 33.840 31.823 -0.405 0.000 0.996 101 V HN 0.560 nan 8.190 nan 0.000 0.425 102 W N 2.986 124.374 121.300 0.145 0.000 2.587 102 W HA 0.686 5.351 4.660 0.009 0.000 0.324 102 W C 0.062 176.685 176.519 0.173 0.000 1.040 102 W CA -0.423 57.018 57.345 0.160 0.000 1.222 102 W CB 2.477 32.014 29.460 0.128 0.000 1.381 102 W HN 0.664 nan 8.180 nan 0.000 0.483 103 T N 0.206 115.012 114.554 0.421 0.000 2.864 103 T HA 0.515 4.871 4.350 0.009 0.000 0.299 103 T C -2.773 172.110 174.700 0.306 0.000 1.166 103 T CA -2.359 59.943 62.100 0.337 0.000 1.007 103 T CB 2.239 71.322 68.868 0.358 0.000 1.219 103 T HN -0.103 nan 8.240 nan 0.000 0.506 104 P HA 0.161 nan 4.420 nan 0.000 0.271 104 P C -1.474 175.987 177.300 0.268 0.000 1.233 104 P CA -0.097 63.133 63.100 0.216 0.000 0.795 104 P CB 0.123 31.917 31.700 0.157 0.000 0.936 105 Y N 0.662 121.022 120.300 0.099 0.000 2.329 105 Y HA 0.419 4.974 4.550 0.008 0.000 0.328 105 Y C -2.402 173.536 175.900 0.064 0.000 0.992 105 Y CA -2.364 55.786 58.100 0.085 0.000 1.151 105 Y CB 0.988 39.486 38.460 0.064 0.000 1.150 105 Y HN 0.310 nan 8.280 nan 0.000 0.450 106 P HA 0.302 nan 4.420 nan 0.000 0.274 106 P C -0.877 176.397 177.300 -0.044 0.000 1.246 106 P CA -0.488 62.453 63.100 -0.265 0.000 0.795 106 P CB 0.785 32.359 31.700 -0.209 0.000 1.006 107 R N 1.672 122.160 120.500 -0.020 0.000 2.638 107 R HA 0.093 4.438 4.340 0.009 0.000 0.268 107 R C -1.766 174.562 176.300 0.047 0.000 1.006 107 R CA -0.813 55.331 56.100 0.073 0.000 1.088 107 R CB -0.818 29.537 30.300 0.092 0.000 0.950 107 R HN 0.472 nan 8.270 nan 0.000 0.419 108 P HA 0.009 nan 4.420 nan 0.000 0.271 108 P C -0.269 177.049 177.300 0.031 0.000 1.216 108 P CA 0.045 63.174 63.100 0.049 0.000 0.776 108 P CB 1.129 32.866 31.700 0.061 0.000 0.881 109 A N 3.163 125.993 122.820 0.017 0.000 1.872 109 A HA -0.027 4.298 4.320 0.009 0.000 0.214 109 A C 1.181 178.770 177.584 0.008 0.000 1.187 109 A CA 1.357 53.398 52.037 0.006 0.000 0.614 109 A CB -1.152 17.849 19.000 0.001 0.000 0.826 109 A HN 0.703 nan 8.150 nan 0.000 0.442 110 S N 0.789 116.496 115.700 0.012 0.000 2.562 110 S HA 0.497 4.972 4.470 0.009 0.000 0.275 110 S C -2.698 171.913 174.600 0.019 0.000 1.281 110 S CA -1.587 56.619 58.200 0.010 0.000 1.045 110 S CB 0.671 63.875 63.200 0.007 0.000 0.962 110 S HN 0.257 nan 8.310 nan 0.000 0.503 111 P HA 0.137 nan 4.420 nan 0.000 0.264 111 P C -0.595 176.721 177.300 0.027 0.000 1.183 111 P CA 0.079 63.193 63.100 0.023 0.000 0.763 111 P CB 0.144 31.850 31.700 0.010 0.000 0.807 112 T N 3.667 118.248 114.554 0.046 0.000 2.856 112 T HA 0.430 4.785 4.350 0.009 0.000 0.283 112 T C -2.608 172.123 174.700 0.052 0.000 1.008 112 T CA -2.155 59.974 62.100 0.048 0.000 0.997 112 T CB 1.065 69.975 68.868 0.069 0.000 0.992 112 T HN 0.176 nan 8.240 nan 0.000 0.454 113 P HA 0.125 nan 4.420 nan 0.000 0.264 113 P C -0.838 176.503 177.300 0.069 0.000 1.183 113 P CA -0.138 62.984 63.100 0.037 0.000 0.763 113 P CB 0.325 32.029 31.700 0.008 0.000 0.807 114 V N 5.482 125.452 119.914 0.094 0.000 2.435 114 V HA 0.325 4.450 4.120 0.009 0.000 0.290 114 V C 0.316 176.491 176.094 0.135 0.000 1.030 114 V CA -0.476 61.901 62.300 0.129 0.000 0.881 114 V CB 1.308 33.221 31.823 0.149 0.000 0.983 114 V HN 0.368 nan 8.190 nan 0.000 0.445 115 L N 5.876 127.191 121.223 0.153 0.000 2.305 115 L HA 0.593 4.938 4.340 0.009 0.000 0.284 115 L C -0.690 176.404 176.870 0.374 0.000 1.013 115 L CA -0.290 54.655 54.840 0.174 0.000 0.819 115 L CB 1.624 43.674 42.059 -0.016 0.000 1.227 115 L HN 0.510 nan 8.230 nan 0.000 0.417 116 I N 3.198 124.020 120.570 0.420 0.000 2.362 116 I HA 0.217 4.392 4.170 0.009 0.000 0.289 116 I C -0.578 175.833 176.117 0.489 0.000 0.994 116 I CA -0.413 61.123 61.300 0.393 0.000 1.158 116 I CB 1.397 39.506 38.000 0.182 0.000 1.315 116 I HN 0.625 nan 8.210 nan 0.000 0.451 117 W N 8.467 129.890 121.300 0.206 0.000 2.351 117 W HA 0.557 5.222 4.660 0.007 0.000 0.311 117 W C -1.467 174.965 176.519 -0.145 0.000 1.168 117 W CA -0.649 56.601 57.345 -0.159 0.000 1.200 117 W CB 1.171 30.550 29.460 -0.135 0.000 1.221 117 W HN 0.355 nan 8.180 nan 0.000 0.519 118 I N 9.197 129.159 120.570 -1.014 0.000 2.390 118 I HA 0.063 4.238 4.170 0.009 0.000 0.283 118 I C -0.226 175.104 176.117 -1.312 0.000 1.016 118 I CA -1.098 59.650 61.300 -0.920 0.000 1.151 118 I CB 0.541 38.183 38.000 -0.597 0.000 1.293 118 I HN 0.299 nan 8.210 nan 0.000 0.458 119 Y N 4.539 124.326 120.300 -0.855 0.000 2.426 119 Y HA 0.635 5.190 4.550 0.008 0.000 0.344 119 Y C 0.795 176.498 175.900 -0.329 0.000 1.256 119 Y CA -0.778 56.953 58.100 -0.616 0.000 1.451 119 Y CB -0.082 38.266 38.460 -0.187 0.000 1.342 119 Y HN 0.508 nan 8.280 nan 0.000 0.600 120 G N -0.834 107.957 108.800 -0.015 0.000 2.583 120 G HA2 0.488 4.453 3.960 0.009 0.000 0.280 120 G HA3 0.488 4.453 3.960 0.009 0.000 0.280 120 G C 0.339 175.131 174.900 -0.181 0.000 1.376 120 G CA -0.905 44.080 45.100 -0.190 0.000 1.043 120 G HN 1.728 nan 8.290 nan 0.000 0.538 121 G N -2.974 105.530 108.800 -0.492 0.000 2.215 121 G HA2 0.398 4.363 3.960 0.009 0.000 0.187 121 G HA3 0.398 4.363 3.960 0.009 0.000 0.187 121 G C 1.079 175.359 174.900 -1.034 0.000 1.039 121 G CA 0.754 45.468 45.100 -0.644 0.000 0.771 121 G HN 2.341 nan 8.290 nan 0.000 0.507 122 G N -0.471 107.705 108.800 -1.041 0.000 2.168 122 G HA2 -0.125 3.840 3.960 0.009 0.000 0.257 122 G HA3 -0.125 3.840 3.960 0.009 0.000 0.257 122 G C 0.895 175.346 174.900 -0.748 0.000 0.997 122 G CA 0.834 45.117 45.100 -1.361 0.000 0.708 122 G HN 1.760 nan 8.290 nan 0.000 0.520 123 F N -3.453 116.283 119.950 -0.358 0.000 2.794 123 F HA -0.287 4.245 4.527 0.008 0.000 0.335 123 F C 1.378 177.233 175.800 0.091 0.000 0.653 123 F CA 1.966 59.906 58.000 -0.100 0.000 1.266 123 F CB -2.141 36.667 39.000 -0.320 0.000 1.666 123 F HN 0.926 nan 8.300 nan 0.000 0.314 124 Y N -1.271 119.118 120.300 0.148 0.000 2.471 124 Y HA 0.679 5.234 4.550 0.008 0.000 0.249 124 Y C 0.581 176.623 175.900 0.236 0.000 1.116 124 Y CA 0.174 58.406 58.100 0.220 0.000 1.240 124 Y CB -0.011 38.559 38.460 0.184 0.000 1.251 124 Y HN 0.087 nan 8.280 nan 0.000 0.527 125 S N -0.784 114.743 115.700 -0.288 0.000 2.688 125 S HA 0.904 5.379 4.470 0.009 0.000 0.275 125 S C -0.175 174.300 174.600 -0.209 0.000 1.175 125 S CA -0.531 57.575 58.200 -0.157 0.000 0.818 125 S CB 1.591 64.705 63.200 -0.143 0.000 1.157 125 S HN 1.329 nan 8.310 nan 0.000 0.482 126 G N -0.772 107.863 108.800 -0.275 0.000 2.392 126 G HA2 0.560 4.525 3.960 0.009 0.000 0.677 126 G HA3 0.560 4.525 3.960 0.009 0.000 0.677 126 G C -0.781 173.475 174.900 -1.073 0.000 1.334 126 G CA -0.189 44.551 45.100 -0.599 0.000 0.961 126 G HN 2.239 nan 8.290 nan 0.000 0.616 127 A N -1.246 120.725 122.820 -1.414 0.000 2.583 127 A HA 0.956 5.281 4.320 0.009 0.000 0.298 127 A C 0.503 177.894 177.584 -0.322 0.000 1.055 127 A CA 0.691 52.248 52.037 -0.801 0.000 0.714 127 A CB 0.834 19.611 19.000 -0.372 0.000 1.277 127 A HN 2.588 nan 8.150 nan 0.000 0.406 128 A N 0.754 123.612 122.820 0.064 0.000 2.206 128 A HA 0.278 4.603 4.320 0.009 0.000 0.211 128 A C 1.598 179.249 177.584 0.112 0.000 1.158 128 A CA 1.785 54.041 52.037 0.365 0.000 0.761 128 A CB -0.468 18.806 19.000 0.457 0.000 0.801 128 A HN 1.873 nan 8.150 nan 0.000 0.473 129 S N -0.639 114.884 115.700 -0.295 0.000 2.557 129 S HA 0.388 4.863 4.470 0.009 0.000 0.223 129 S C 0.327 174.488 174.600 -0.730 0.000 0.969 129 S CA -0.540 57.022 58.200 -1.064 0.000 0.927 129 S CB -0.574 61.942 63.200 -1.141 0.000 0.806 129 S HN 0.345 nan 8.310 nan 0.000 0.489 130 L N 2.128 123.087 121.223 -0.439 0.000 2.461 130 L HA 0.219 4.564 4.340 0.009 0.000 0.272 130 L C 1.166 177.713 176.870 -0.538 0.000 1.197 130 L CA -0.569 53.955 54.840 -0.527 0.000 0.836 130 L CB 0.196 41.837 42.059 -0.696 0.000 1.105 130 L HN 0.047 nan 8.230 nan 0.000 0.477 131 D N 1.336 121.470 120.400 -0.444 0.000 2.133 131 D HA -0.158 4.487 4.640 0.009 0.000 0.195 131 D C 1.969 178.016 176.300 -0.422 0.000 0.997 131 D CA 1.542 55.344 54.000 -0.330 0.000 0.840 131 D CB -0.059 40.579 40.800 -0.269 0.000 0.947 131 D HN 0.547 nan 8.370 nan 0.000 0.452 132 V N -1.497 118.031 119.914 -0.645 0.000 3.444 132 V HA -0.119 4.006 4.120 0.009 0.000 0.271 132 V C 0.737 176.265 176.094 -0.943 0.000 1.188 132 V CA 0.910 62.791 62.300 -0.699 0.000 1.168 132 V CB -1.173 30.211 31.823 -0.731 0.000 0.810 132 V HN 0.060 nan 8.190 nan 0.000 0.500 133 Y N -0.246 119.524 120.300 -0.884 0.000 2.636 133 Y HA 0.460 5.015 4.550 0.008 0.000 0.260 133 Y C 0.818 176.182 175.900 -0.893 0.000 1.177 133 Y CA -2.027 55.196 58.100 -1.462 0.000 1.209 133 Y CB -0.533 37.422 38.460 -0.842 0.000 1.166 133 Y HN 0.241 nan 8.280 nan 0.000 0.531 134 D N 0.897 121.028 120.400 -0.450 0.000 2.389 134 D HA 0.026 4.671 4.640 0.009 0.000 0.263 134 D C 1.429 177.380 176.300 -0.582 0.000 1.255 134 D CA 0.607 54.374 54.000 -0.390 0.000 0.914 134 D CB 1.375 42.072 40.800 -0.172 0.000 1.116 134 D HN 0.493 nan 8.370 nan 0.000 0.502 135 G N 4.211 112.027 108.800 -1.640 0.000 2.650 135 G HA2 -0.215 3.750 3.960 0.009 0.000 0.214 135 G HA3 -0.215 3.750 3.960 0.009 0.000 0.214 135 G C 1.531 175.839 174.900 -0.986 0.000 1.136 135 G CA 0.473 44.814 45.100 -1.264 0.000 0.789 135 G HN 0.644 nan 8.290 nan 0.000 0.536 136 R N -0.472 119.317 120.500 -1.186 0.000 2.117 136 R HA -0.088 4.257 4.340 0.009 0.000 0.243 136 R C 1.810 177.840 176.300 -0.449 0.000 1.143 136 R CA 1.592 57.308 56.100 -0.640 0.000 0.968 136 R CB -0.739 29.217 30.300 -0.574 0.000 0.863 136 R HN 0.339 nan 8.270 nan 0.000 0.444 137 F N 1.278 121.131 119.950 -0.162 0.000 2.163 137 F HA 0.062 4.594 4.527 0.009 0.000 0.297 137 F C 2.275 178.021 175.800 -0.089 0.000 1.094 137 F CA 0.718 58.655 58.000 -0.104 0.000 1.290 137 F CB -0.495 38.438 39.000 -0.113 0.000 1.017 137 F HN -0.123 nan 8.300 nan 0.000 0.483 138 L N -0.327 120.935 121.223 0.065 0.000 2.201 138 L HA -0.152 4.193 4.340 0.009 0.000 0.212 138 L C 2.604 179.489 176.870 0.024 0.000 1.105 138 L CA 0.942 55.782 54.840 -0.000 0.000 0.775 138 L CB -0.762 41.247 42.059 -0.084 0.000 0.913 138 L HN 0.183 nan 8.230 nan 0.000 0.440 139 A N -0.989 121.847 122.820 0.028 0.000 1.872 139 A HA -0.195 4.130 4.320 0.009 0.000 0.214 139 A C 2.267 179.901 177.584 0.084 0.000 1.187 139 A CA 1.177 53.270 52.037 0.093 0.000 0.614 139 A CB -0.415 18.684 19.000 0.165 0.000 0.826 139 A HN 0.323 nan 8.150 nan 0.000 0.442 140 Q N 0.035 119.867 119.800 0.053 0.000 2.020 140 Q HA -0.072 4.273 4.340 0.009 0.000 0.198 140 Q C 2.181 178.218 176.000 0.063 0.000 0.974 140 Q CA 2.058 57.898 55.803 0.061 0.000 0.829 140 Q CB -0.382 28.376 28.738 0.033 0.000 0.894 140 Q HN 0.374 nan 8.270 nan 0.000 0.433 141 V N 1.316 121.269 119.914 0.064 0.000 2.407 141 V HA -0.114 4.011 4.120 0.009 0.000 0.245 141 V C 1.706 177.821 176.094 0.035 0.000 1.041 141 V CA 1.617 63.948 62.300 0.051 0.000 1.040 141 V CB -0.156 31.697 31.823 0.049 0.000 0.671 141 V HN 0.258 nan 8.190 nan 0.000 0.455 142 E N -0.416 119.803 120.200 0.033 0.000 2.498 142 E HA 0.210 4.565 4.350 0.009 0.000 0.203 142 E C 1.674 178.296 176.600 0.036 0.000 1.013 142 E CA 0.712 57.127 56.400 0.024 0.000 0.927 142 E CB 0.599 30.304 29.700 0.009 0.000 1.012 142 E HN 0.574 nan 8.360 nan 0.000 0.482 143 G N 1.905 110.737 108.800 0.054 0.000 2.179 143 G HA2 -0.331 3.634 3.960 0.009 0.000 0.257 143 G HA3 -0.331 3.634 3.960 0.009 0.000 0.257 143 G C 0.560 175.507 174.900 0.077 0.000 1.010 143 G CA 0.440 45.582 45.100 0.070 0.000 0.736 143 G HN 0.481 nan 8.290 nan 0.000 0.513 144 A N -0.873 121.991 122.820 0.073 0.000 2.386 144 A HA 0.659 4.984 4.320 0.009 0.000 0.248 144 A C 0.592 178.256 177.584 0.134 0.000 1.082 144 A CA 0.251 52.337 52.037 0.081 0.000 0.789 144 A CB 0.997 20.027 19.000 0.049 0.000 1.025 144 A HN 1.126 nan 8.150 nan 0.000 0.490 145 V N 2.773 122.774 119.914 0.145 0.000 2.364 145 V HA 0.343 4.468 4.120 0.009 0.000 0.272 145 V C -0.060 176.166 176.094 0.219 0.000 1.036 145 V CA -0.071 62.345 62.300 0.193 0.000 0.880 145 V CB 0.684 32.612 31.823 0.174 0.000 0.991 145 V HN 0.718 nan 8.190 nan 0.000 0.460 146 L N 6.458 127.866 121.223 0.308 0.000 2.329 146 L HA 0.772 5.118 4.340 0.009 0.000 0.279 146 L C -0.775 176.368 176.870 0.455 0.000 1.014 146 L CA -0.178 54.894 54.840 0.386 0.000 0.814 146 L CB 1.829 44.125 42.059 0.395 0.000 1.257 146 L HN 0.441 nan 8.230 nan 0.000 0.424 147 V N 3.209 123.370 119.914 0.411 0.000 2.588 147 V HA 0.696 4.821 4.120 0.009 0.000 0.304 147 V C -0.573 175.753 176.094 0.387 0.000 1.042 147 V CA -0.433 62.062 62.300 0.326 0.000 0.877 147 V CB 1.977 33.923 31.823 0.206 0.000 0.996 147 V HN 0.852 nan 8.190 nan 0.000 0.425 148 S N 5.319 121.242 115.700 0.372 0.000 2.541 148 S HA 0.888 5.363 4.470 0.009 0.000 0.280 148 S C -0.809 173.937 174.600 0.244 0.000 1.112 148 S CA -0.812 57.618 58.200 0.385 0.000 0.925 148 S CB 2.276 65.835 63.200 0.599 0.000 1.067 148 S HN 0.877 nan 8.310 nan 0.000 0.479 149 M N 1.371 121.082 119.600 0.185 0.000 2.602 149 M HA 0.648 5.134 4.480 0.009 0.000 0.312 149 M C -1.703 174.809 176.300 0.353 0.000 1.181 149 M CA -0.544 54.852 55.300 0.161 0.000 0.910 149 M CB 1.216 33.737 32.600 -0.132 0.000 1.723 149 M HN 0.545 nan 8.290 nan 0.000 0.459 150 N N 2.528 121.503 118.700 0.459 0.000 2.518 150 N HA 0.601 5.347 4.740 0.009 0.000 0.283 150 N C -1.391 174.403 175.510 0.474 0.000 1.119 150 N CA 0.109 53.448 53.050 0.482 0.000 0.983 150 N CB 0.598 39.309 38.487 0.374 0.000 1.139 150 N HN 0.721 nan 8.380 nan 0.000 0.465 151 Y N -1.937 118.538 120.300 0.291 0.000 2.562 151 Y HA 0.570 5.125 4.550 0.008 0.000 0.345 151 Y C -0.185 175.854 175.900 0.231 0.000 1.045 151 Y CA -1.354 56.871 58.100 0.207 0.000 1.028 151 Y CB 0.956 39.466 38.460 0.083 0.000 1.297 151 Y HN 0.192 nan 8.280 nan 0.000 0.463 152 R N 1.821 122.477 120.500 0.260 0.000 2.537 152 R HA 0.509 4.855 4.340 0.009 0.000 0.280 152 R C -0.283 176.190 176.300 0.287 0.000 1.058 152 R CA -0.256 55.954 56.100 0.184 0.000 1.057 152 R CB 0.945 31.319 30.300 0.122 0.000 0.973 152 R HN 0.713 nan 8.270 nan 0.000 0.438 153 V N -0.141 119.971 119.914 0.330 0.000 3.204 153 V HA 0.883 5.008 4.120 0.009 0.000 0.316 153 V C 0.777 177.199 176.094 0.546 0.000 1.160 153 V CA -0.136 62.465 62.300 0.502 0.000 1.044 153 V CB 1.125 33.143 31.823 0.326 0.000 1.136 153 V HN 0.962 nan 8.190 nan 0.000 0.455 154 G N 1.595 110.740 108.800 0.574 0.000 2.564 154 G HA2 -0.292 3.673 3.960 0.009 0.000 0.273 154 G HA3 -0.292 3.673 3.960 0.009 0.000 0.273 154 G C 1.002 176.065 174.900 0.272 0.000 1.242 154 G CA 1.506 46.874 45.100 0.446 0.000 0.951 154 G HN 2.326 nan 8.290 nan 0.000 0.564 155 T N -1.724 112.731 114.554 -0.165 0.000 2.720 155 T HA -0.114 4.241 4.350 0.009 0.000 0.268 155 T C 2.135 176.681 174.700 -0.257 0.000 1.037 155 T CA 2.612 64.350 62.100 -0.602 0.000 1.144 155 T CB -0.426 67.919 68.868 -0.873 0.000 0.864 155 T HN 0.591 nan 8.240 nan 0.000 0.444 156 F N 2.192 122.198 119.950 0.092 0.000 2.216 156 F HA 0.214 4.746 4.527 0.008 0.000 0.300 156 F C 2.725 178.523 175.800 -0.003 0.000 1.085 156 F CA 0.850 58.867 58.000 0.029 0.000 1.326 156 F CB -0.860 38.134 39.000 -0.009 0.000 1.027 156 F HN 0.389 nan 8.300 nan 0.000 0.497 157 G N -2.300 106.573 108.800 0.121 0.000 2.833 157 G HA2 0.055 4.021 3.960 0.009 0.000 0.210 157 G HA3 0.055 4.021 3.960 0.009 0.000 0.210 157 G C 0.948 175.398 174.900 -0.751 0.000 1.139 157 G CA 0.173 45.102 45.100 -0.285 0.000 0.771 157 G HN 0.341 nan 8.290 nan 0.000 0.535 158 F N -0.609 119.397 119.950 0.094 0.000 2.880 158 F HA 0.426 4.959 4.527 0.009 0.000 0.346 158 F C 0.668 176.486 175.800 0.029 0.000 1.054 158 F CA -0.909 57.125 58.000 0.056 0.000 1.151 158 F CB 0.339 39.384 39.000 0.076 0.000 1.066 158 F HN -0.099 nan 8.300 nan 0.000 0.566 159 L N 2.207 123.392 121.223 -0.065 0.000 2.559 159 L HA 0.404 4.749 4.340 0.009 0.000 0.274 159 L C -0.066 176.718 176.870 -0.144 0.000 1.205 159 L CA 0.015 54.685 54.840 -0.284 0.000 0.907 159 L CB 0.294 41.910 42.059 -0.739 0.000 1.153 159 L HN 0.128 nan 8.230 nan 0.000 0.490 160 A N 6.394 129.187 122.820 -0.046 0.000 2.398 160 A HA 0.641 4.966 4.320 0.009 0.000 0.301 160 A C -1.027 176.520 177.584 -0.062 0.000 1.041 160 A CA -0.627 51.381 52.037 -0.049 0.000 0.711 160 A CB 1.257 20.267 19.000 0.016 0.000 1.240 160 A HN 0.708 nan 8.150 nan 0.000 0.420 161 L N 3.434 124.607 121.223 -0.083 0.000 2.360 161 L HA 0.314 4.659 4.340 0.009 0.000 0.265 161 L C -2.380 174.471 176.870 -0.030 0.000 1.066 161 L CA -1.780 53.025 54.840 -0.058 0.000 0.929 161 L CB 1.113 43.126 42.059 -0.076 0.000 1.306 161 L HN 0.401 nan 8.230 nan 0.000 0.434 162 P HA 0.057 nan 4.420 nan 0.000 0.262 162 P C 0.979 178.276 177.300 -0.005 0.000 1.182 162 P CA 0.775 63.872 63.100 -0.005 0.000 0.761 162 P CB 0.985 32.684 31.700 -0.002 0.000 0.795 163 G N 1.928 110.729 108.800 0.002 0.000 2.279 163 G HA2 -0.246 3.719 3.960 0.009 0.000 0.223 163 G HA3 -0.246 3.719 3.960 0.009 0.000 0.223 163 G C 0.482 175.382 174.900 0.001 0.000 1.015 163 G CA 0.231 45.332 45.100 0.002 0.000 0.621 163 G HN 0.800 nan 8.290 nan 0.000 0.506 164 S N -0.016 115.681 115.700 -0.005 0.000 2.600 164 S HA 0.607 5.082 4.470 0.009 0.000 0.265 164 S C 1.216 175.820 174.600 0.006 0.000 1.325 164 S CA 0.460 58.658 58.200 -0.004 0.000 1.002 164 S CB 1.707 64.896 63.200 -0.017 0.000 0.921 164 S HN 0.409 nan 8.310 nan 0.000 0.554 165 R N 0.156 120.662 120.500 0.010 0.000 2.140 165 R HA 0.063 4.408 4.340 0.009 0.000 0.213 165 R C 1.399 177.715 176.300 0.026 0.000 1.059 165 R CA 1.062 57.173 56.100 0.018 0.000 1.000 165 R CB -0.145 30.166 30.300 0.017 0.000 0.910 165 R HN 0.769 nan 8.270 nan 0.000 0.455 166 E N -0.663 119.553 120.200 0.026 0.000 2.447 166 E HA 0.126 4.481 4.350 0.009 0.000 0.195 166 E C -0.180 176.460 176.600 0.066 0.000 1.028 166 E CA 0.304 56.732 56.400 0.047 0.000 0.876 166 E CB 1.142 30.870 29.700 0.046 0.000 0.885 166 E HN 0.141 nan 8.360 nan 0.000 0.500 167 A N 1.199 124.030 122.820 0.019 0.000 3.300 167 A HA 0.298 4.623 4.320 0.009 0.000 0.300 167 A C -2.251 175.324 177.584 -0.014 0.000 1.099 167 A CA -0.954 51.082 52.037 -0.002 0.000 0.846 167 A CB 0.502 19.414 19.000 -0.146 0.000 1.255 167 A HN -0.093 nan 8.150 nan 0.000 0.519 168 P HA 0.153 nan 4.420 nan 0.000 0.233 168 P C 0.986 178.292 177.300 0.011 0.000 1.167 168 P CA 1.743 64.852 63.100 0.015 0.000 0.770 168 P CB 0.132 31.851 31.700 0.032 0.000 0.837 169 G N 0.902 109.702 108.800 0.000 0.000 2.795 169 G HA2 -0.232 3.733 3.960 0.009 0.000 0.664 169 G HA3 -0.232 3.733 3.960 0.009 0.000 0.664 169 G C -0.004 174.876 174.900 -0.033 0.000 1.381 169 G CA -0.241 44.859 45.100 -0.001 0.000 0.853 169 G HN 0.164 nan 8.290 nan 0.000 0.545 170 N N -2.466 116.207 118.700 -0.045 0.000 2.713 170 N HA -0.288 4.457 4.740 0.009 0.000 0.251 170 N C 1.848 177.183 175.510 -0.290 0.000 1.117 170 N CA 2.447 55.397 53.050 -0.167 0.000 0.770 170 N CB -1.627 36.703 38.487 -0.261 0.000 1.137 170 N HN 1.924 nan 8.380 nan 0.000 0.566 171 V N -2.793 116.945 119.914 -0.294 0.000 2.626 171 V HA 0.037 4.162 4.120 0.009 0.000 0.252 171 V C 2.281 178.231 176.094 -0.239 0.000 1.067 171 V CA 2.190 64.378 62.300 -0.186 0.000 1.081 171 V CB -0.803 30.967 31.823 -0.089 0.000 0.686 171 V HN 0.264 nan 8.190 nan 0.000 0.468 172 G N 0.509 108.954 108.800 -0.590 0.000 2.422 172 G HA2 -0.146 3.819 3.960 0.009 0.000 0.218 172 G HA3 -0.146 3.819 3.960 0.009 0.000 0.218 172 G C 1.546 176.387 174.900 -0.099 0.000 1.146 172 G CA 1.141 46.036 45.100 -0.342 0.000 0.769 172 G HN 0.529 nan 8.290 nan 0.000 0.547 173 L N -0.173 120.929 121.223 -0.200 0.000 2.093 173 L HA 0.019 4.364 4.340 0.009 0.000 0.208 173 L C 2.867 179.784 176.870 0.078 0.000 1.085 173 L CA 0.469 55.177 54.840 -0.220 0.000 0.755 173 L CB -0.306 41.255 42.059 -0.830 0.000 0.904 173 L HN 0.207 nan 8.230 nan 0.000 0.435 174 L N -0.623 120.654 121.223 0.091 0.000 2.056 174 L HA -0.206 4.139 4.340 0.009 0.000 0.207 174 L C 2.255 179.254 176.870 0.215 0.000 1.078 174 L CA 0.954 55.933 54.840 0.233 0.000 0.749 174 L CB -0.635 41.529 42.059 0.174 0.000 0.901 174 L HN 0.277 nan 8.230 nan 0.000 0.433 175 D N -0.030 120.484 120.400 0.190 0.000 2.123 175 D HA -0.222 4.423 4.640 0.009 0.000 0.196 175 D C 2.244 178.707 176.300 0.271 0.000 0.992 175 D CA 1.231 55.426 54.000 0.325 0.000 0.833 175 D CB -0.249 40.763 40.800 0.353 0.000 0.954 175 D HN 0.436 nan 8.370 nan 0.000 0.455 176 Q N 0.182 120.068 119.800 0.142 0.000 2.061 176 Q HA -0.148 4.197 4.340 0.009 0.000 0.204 176 Q C 2.332 178.321 176.000 -0.019 0.000 0.984 176 Q CA 1.128 56.934 55.803 0.006 0.000 0.846 176 Q CB -0.126 28.613 28.738 0.002 0.000 0.902 176 Q HN 0.213 nan 8.270 nan 0.000 0.421 177 R N 0.563 121.153 120.500 0.151 0.000 2.096 177 R HA -0.178 4.167 4.340 0.009 0.000 0.235 177 R C 2.231 178.585 176.300 0.089 0.000 1.127 177 R CA 1.032 57.203 56.100 0.119 0.000 0.968 177 R CB -0.217 30.251 30.300 0.281 0.000 0.861 177 R HN 0.220 nan 8.270 nan 0.000 0.440 178 L N 0.704 122.016 121.223 0.149 0.000 2.046 178 L HA -0.042 4.303 4.340 0.009 0.000 0.208 178 L C 2.267 179.198 176.870 0.101 0.000 1.077 178 L CA 2.148 57.107 54.840 0.198 0.000 0.747 178 L CB -0.709 41.558 42.059 0.346 0.000 0.896 178 L HN 0.242 nan 8.230 nan 0.000 0.432 179 A N -0.577 122.102 122.820 -0.235 0.000 1.972 179 A HA -0.154 4.171 4.320 0.009 0.000 0.219 179 A C 2.223 179.753 177.584 -0.091 0.000 1.169 179 A CA 1.858 53.591 52.037 -0.506 0.000 0.635 179 A CB -0.815 17.595 19.000 -0.984 0.000 0.810 179 A HN 0.521 nan 8.150 nan 0.000 0.446 180 L N -1.146 120.035 121.223 -0.069 0.000 2.056 180 L HA -0.239 4.106 4.340 0.009 0.000 0.207 180 L C 2.840 179.755 176.870 0.074 0.000 1.078 180 L CA 1.602 56.437 54.840 -0.007 0.000 0.749 180 L CB -0.878 41.133 42.059 -0.080 0.000 0.901 180 L HN 0.500 nan 8.230 nan 0.000 0.433 181 Q N -0.817 119.038 119.800 0.091 0.000 2.050 181 Q HA -0.270 4.076 4.340 0.009 0.000 0.202 181 Q C 2.044 178.134 176.000 0.150 0.000 0.980 181 Q CA 2.092 57.959 55.803 0.107 0.000 0.840 181 Q CB -0.354 28.451 28.738 0.112 0.000 0.898 181 Q HN 0.509 nan 8.270 nan 0.000 0.424 182 W N 0.559 121.876 121.300 0.029 0.000 2.308 182 W HA -0.265 4.400 4.660 0.008 0.000 0.301 182 W C 1.816 178.363 176.519 0.047 0.000 1.220 182 W CA 1.440 58.817 57.345 0.055 0.000 1.240 182 W CB -0.027 29.470 29.460 0.061 0.000 1.142 182 W HN -0.105 nan 8.180 nan 0.000 0.521 183 V N 0.406 120.511 119.914 0.319 0.000 2.379 183 V HA -0.294 3.832 4.120 0.009 0.000 0.245 183 V C 2.528 178.643 176.094 0.034 0.000 1.044 183 V CA 1.873 64.301 62.300 0.214 0.000 1.036 183 V CB -0.910 31.051 31.823 0.230 0.000 0.664 183 V HN 0.142 nan 8.190 nan 0.000 0.453 184 Q N 0.057 119.881 119.800 0.040 0.000 2.077 184 Q HA -0.298 4.047 4.340 0.009 0.000 0.206 184 Q C 2.242 178.211 176.000 -0.050 0.000 0.989 184 Q CA 2.398 58.209 55.803 0.012 0.000 0.853 184 Q CB -0.342 28.408 28.738 0.021 0.000 0.907 184 Q HN 0.807 nan 8.270 nan 0.000 0.418 185 E N -0.377 119.757 120.200 -0.111 0.000 2.158 185 E HA -0.073 4.282 4.350 0.009 0.000 0.191 185 E C 1.165 177.614 176.600 -0.253 0.000 0.982 185 E CA 0.715 57.017 56.400 -0.162 0.000 0.823 185 E CB 0.287 29.888 29.700 -0.165 0.000 0.766 185 E HN 0.312 nan 8.360 nan 0.000 0.468 186 N N -0.132 118.318 118.700 -0.417 0.000 2.257 186 N HA -0.001 4.744 4.740 0.009 0.000 0.200 186 N C 1.497 176.874 175.510 -0.221 0.000 1.163 186 N CA 0.037 52.787 53.050 -0.500 0.000 0.891 186 N CB 0.348 38.162 38.487 -1.121 0.000 1.067 186 N HN 0.121 nan 8.380 nan 0.000 0.497 187 I N 2.545 123.053 120.570 -0.103 0.000 2.335 187 I HA -0.167 4.008 4.170 0.009 0.000 0.251 187 I C 2.233 178.462 176.117 0.187 0.000 1.129 187 I CA 0.652 62.039 61.300 0.145 0.000 1.402 187 I CB -0.231 37.847 38.000 0.129 0.000 1.069 187 I HN 0.063 nan 8.210 nan 0.000 0.424 188 A N 0.321 123.170 122.820 0.047 0.000 1.940 188 A HA -0.178 4.147 4.320 0.009 0.000 0.219 188 A C 2.524 180.091 177.584 -0.029 0.000 1.176 188 A CA 1.716 53.762 52.037 0.016 0.000 0.631 188 A CB -1.221 17.764 19.000 -0.026 0.000 0.814 188 A HN 0.493 nan 8.150 nan 0.000 0.446 189 A N -1.334 121.417 122.820 -0.116 0.000 2.042 189 A HA -0.105 4.220 4.320 0.009 0.000 0.222 189 A C 1.629 178.967 177.584 -0.409 0.000 1.167 189 A CA 1.651 53.498 52.037 -0.316 0.000 0.649 189 A CB -0.729 17.964 19.000 -0.511 0.000 0.809 189 A HN 0.544 nan 8.150 nan 0.000 0.457 190 F N -1.400 118.499 119.950 -0.085 0.000 2.727 190 F HA 0.387 4.920 4.527 0.009 0.000 0.302 190 F C 1.783 177.589 175.800 0.010 0.000 1.097 190 F CA 0.500 58.468 58.000 -0.053 0.000 1.330 190 F CB 0.184 39.165 39.000 -0.032 0.000 1.084 190 F HN 0.339 nan 8.300 nan 0.000 0.578 191 G N 0.407 109.281 108.800 0.123 0.000 2.143 191 G HA2 -0.213 3.753 3.960 0.009 0.000 0.249 191 G HA3 -0.213 3.753 3.960 0.009 0.000 0.249 191 G C 0.709 175.678 174.900 0.116 0.000 0.981 191 G CA -0.191 44.967 45.100 0.096 0.000 0.665 191 G HN 0.723 nan 8.290 nan 0.000 0.528 192 G N -0.463 108.430 108.800 0.155 0.000 2.527 192 G HA2 0.442 4.407 3.960 0.009 0.000 0.248 192 G HA3 0.442 4.407 3.960 0.009 0.000 0.248 192 G C -0.490 174.461 174.900 0.085 0.000 1.231 192 G CA 0.398 45.576 45.100 0.130 0.000 0.838 192 G HN 0.268 nan 8.290 nan 0.000 0.570 193 D N 1.705 122.148 120.400 0.071 0.000 2.443 193 D HA 0.277 4.922 4.640 0.009 0.000 0.221 193 D C -1.131 175.208 176.300 0.064 0.000 1.097 193 D CA -2.418 51.609 54.000 0.045 0.000 0.865 193 D CB 1.795 42.606 40.800 0.019 0.000 1.034 193 D HN 0.054 nan 8.370 nan 0.000 0.511 194 P HA -0.095 nan 4.420 nan 0.000 0.228 194 P C 1.100 178.509 177.300 0.180 0.000 1.151 194 P CA 0.775 63.939 63.100 0.106 0.000 0.770 194 P CB 0.148 31.886 31.700 0.063 0.000 0.786 195 M N -1.528 118.110 119.600 0.063 0.000 2.428 195 M HA 0.113 4.598 4.480 0.009 0.000 0.239 195 M C 0.696 176.710 176.300 -0.477 0.000 1.121 195 M CA 0.463 55.694 55.300 -0.115 0.000 1.019 195 M CB 0.225 32.741 32.600 -0.141 0.000 1.485 195 M HN -0.152 nan 8.290 nan 0.000 0.484 196 S N 1.218 116.858 115.700 -0.099 0.000 2.293 196 S HA 0.415 4.891 4.470 0.009 0.000 0.154 196 S C -1.039 173.671 174.600 0.184 0.000 1.602 196 S CA -0.460 57.716 58.200 -0.039 0.000 1.260 196 S CB 0.447 63.601 63.200 -0.075 0.000 1.270 196 S HN 0.025 nan 8.310 nan 0.000 0.416 197 V N 3.763 123.945 119.914 0.448 0.000 2.378 197 V HA 0.536 4.661 4.120 0.009 0.000 0.288 197 V C 0.000 176.267 176.094 0.288 0.000 1.016 197 V CA -0.386 62.095 62.300 0.301 0.000 0.840 197 V CB 1.771 33.742 31.823 0.245 0.000 0.994 197 V HN 0.712 nan 8.190 nan 0.000 0.431 198 T N 6.649 121.328 114.554 0.208 0.000 2.770 198 T HA 0.555 4.910 4.350 0.009 0.000 0.283 198 T C -0.213 174.608 174.700 0.202 0.000 0.988 198 T CA -0.348 61.874 62.100 0.203 0.000 0.957 198 T CB 0.821 69.766 68.868 0.128 0.000 0.930 198 T HN 0.349 nan 8.240 nan 0.000 0.443 199 L N 5.315 126.612 121.223 0.124 0.000 2.319 199 L HA 0.549 4.894 4.340 0.009 0.000 0.280 199 L C -0.351 176.688 176.870 0.281 0.000 1.099 199 L CA -0.745 54.138 54.840 0.071 0.000 0.828 199 L CB -0.004 41.870 42.059 -0.309 0.000 1.150 199 L HN 0.593 nan 8.230 nan 0.000 0.442 200 F N 1.086 121.099 119.950 0.106 0.000 2.551 200 F HA 0.969 5.501 4.527 0.008 0.000 0.316 200 F C -0.102 175.682 175.800 -0.026 0.000 1.089 200 F CA -1.824 56.287 58.000 0.185 0.000 0.915 200 F CB 1.529 40.800 39.000 0.452 0.000 1.186 200 F HN 0.403 nan 8.300 nan 0.000 0.456 201 G N 1.506 110.182 108.800 -0.207 0.000 2.677 201 G HA2 0.501 4.466 3.960 0.009 0.000 0.291 201 G HA3 0.501 4.466 3.960 0.009 0.000 0.291 201 G C -2.427 172.235 174.900 -0.395 0.000 1.435 201 G CA -0.794 43.798 45.100 -0.846 0.000 0.826 201 G HN 0.839 nan 8.290 nan 0.000 0.491 202 E N 0.368 120.283 120.200 -0.476 0.000 2.266 202 E HA 0.614 4.969 4.350 0.009 0.000 0.268 202 E C 0.722 177.216 176.600 -0.177 0.000 0.879 202 E CA 0.228 56.581 56.400 -0.077 0.000 0.762 202 E CB 2.139 31.976 29.700 0.227 0.000 1.199 202 E HN 0.814 nan 8.360 nan 0.000 0.422 203 S N 3.150 118.780 115.700 -0.118 0.000 4.155 203 S HA -0.405 4.070 4.470 0.009 0.000 0.552 203 S C 1.481 176.002 174.600 -0.131 0.000 1.869 203 S CA 2.579 60.671 58.200 -0.181 0.000 4.246 203 S CB -1.626 61.304 63.200 -0.450 0.000 0.245 203 S HN 0.973 nan 8.310 nan 0.000 0.461 204 A N 1.303 123.879 122.820 -0.407 0.000 2.067 204 A HA 0.288 4.613 4.320 0.009 0.000 0.219 204 A C 2.422 179.699 177.584 -0.512 0.000 1.158 204 A CA 2.044 53.676 52.037 -0.676 0.000 0.661 204 A CB -1.408 16.705 19.000 -1.479 0.000 0.801 204 A HN 1.465 nan 8.150 nan 0.000 0.452 205 G N -0.385 108.173 108.800 -0.405 0.000 2.402 205 G HA2 0.043 4.008 3.960 0.009 0.000 0.216 205 G HA3 0.043 4.008 3.960 0.009 0.000 0.216 205 G C 1.704 176.411 174.900 -0.321 0.000 1.162 205 G CA 1.201 46.036 45.100 -0.441 0.000 0.777 205 G HN 0.706 nan 8.290 nan 0.000 0.539 206 A N 1.163 123.855 122.820 -0.212 0.000 1.898 206 A HA 0.346 4.671 4.320 0.009 0.000 0.216 206 A C 2.808 180.348 177.584 -0.073 0.000 1.181 206 A CA 2.085 54.062 52.037 -0.101 0.000 0.620 206 A CB -0.774 18.219 19.000 -0.013 0.000 0.819 206 A HN 0.721 nan 8.150 nan 0.000 0.442 207 A N -0.448 122.349 122.820 -0.040 0.000 1.902 207 A HA -0.086 4.239 4.320 0.009 0.000 0.217 207 A C 2.436 180.002 177.584 -0.029 0.000 1.181 207 A CA 2.085 54.098 52.037 -0.041 0.000 0.623 207 A CB -0.977 18.015 19.000 -0.013 0.000 0.818 207 A HN 0.439 nan 8.150 nan 0.000 0.443 208 S N -0.377 115.308 115.700 -0.025 0.000 2.368 208 S HA -0.200 4.276 4.470 0.009 0.000 0.226 208 S C 1.927 176.462 174.600 -0.109 0.000 1.044 208 S CA 1.660 59.801 58.200 -0.098 0.000 1.062 208 S CB -0.709 62.378 63.200 -0.189 0.000 0.931 208 S HN 0.365 nan 8.310 nan 0.000 0.440 209 V N 1.535 121.395 119.914 -0.090 0.000 2.278 209 V HA -0.246 3.879 4.120 0.009 0.000 0.251 209 V C 2.589 178.656 176.094 -0.045 0.000 1.062 209 V CA 2.124 64.381 62.300 -0.071 0.000 1.038 209 V CB -1.524 30.234 31.823 -0.108 0.000 0.646 209 V HN 0.629 nan 8.190 nan 0.000 0.447 210 G N -0.846 107.923 108.800 -0.052 0.000 2.422 210 G HA2 -0.217 3.748 3.960 0.009 0.000 0.218 210 G HA3 -0.217 3.748 3.960 0.009 0.000 0.218 210 G C 1.492 176.385 174.900 -0.011 0.000 1.140 210 G CA 0.938 46.015 45.100 -0.039 0.000 0.775 210 G HN 0.369 nan 8.290 nan 0.000 0.545 211 M N 0.491 120.060 119.600 -0.052 0.000 2.117 211 M HA -0.048 4.437 4.480 0.009 0.000 0.262 211 M C 2.220 178.568 176.300 0.081 0.000 1.065 211 M CA 1.108 56.400 55.300 -0.014 0.000 1.114 211 M CB -1.346 31.171 32.600 -0.139 0.000 1.361 211 M HN 0.273 nan 8.290 nan 0.000 0.408 212 H N -0.036 119.129 119.070 0.158 0.000 2.423 212 H HA 0.071 4.632 4.556 0.008 0.000 0.297 212 H C 2.300 177.798 175.328 0.284 0.000 1.075 212 H CA 1.173 57.330 56.048 0.182 0.000 1.342 212 H CB -0.301 29.472 29.762 0.020 0.000 1.395 212 H HN 0.379 nan 8.280 nan 0.000 0.530 213 I N 0.750 121.535 120.570 0.358 0.000 2.264 213 I HA -0.253 3.922 4.170 0.009 0.000 0.248 213 I C 1.828 178.101 176.117 0.259 0.000 1.111 213 I CA 1.148 62.669 61.300 0.367 0.000 1.382 213 I CB -0.072 38.040 38.000 0.187 0.000 1.060 213 I HN 0.114 nan 8.210 nan 0.000 0.418 214 L N -0.945 120.392 121.223 0.189 0.000 2.592 214 L HA 0.110 4.455 4.340 0.009 0.000 0.227 214 L C 0.823 177.758 176.870 0.109 0.000 1.127 214 L CA 0.027 54.970 54.840 0.172 0.000 0.884 214 L CB 0.082 42.218 42.059 0.130 0.000 1.065 214 L HN 0.016 nan 8.230 nan 0.000 0.457 215 S N 0.101 115.843 115.700 0.069 0.000 2.669 215 S HA 0.224 4.699 4.470 0.009 0.000 0.315 215 S C 1.024 175.572 174.600 -0.087 0.000 1.106 215 S CA -0.588 57.558 58.200 -0.091 0.000 1.107 215 S CB 0.859 63.833 63.200 -0.377 0.000 0.990 215 S HN 0.075 nan 8.310 nan 0.000 0.471 216 L N 5.917 127.097 121.223 -0.070 0.000 2.030 216 L HA -0.053 4.292 4.340 0.009 0.000 0.222 216 L C -0.854 175.975 176.870 -0.068 0.000 1.082 216 L CA 2.524 57.331 54.840 -0.055 0.000 0.785 216 L CB -2.109 39.917 42.059 -0.054 0.000 0.895 216 L HN 0.520 nan 8.230 nan 0.000 0.439 217 P HA -0.061 nan 4.420 nan 0.000 0.225 217 P C 1.633 178.909 177.300 -0.040 0.000 1.148 217 P CA 0.960 64.013 63.100 -0.079 0.000 0.779 217 P CB 0.097 31.737 31.700 -0.101 0.000 0.780 218 S N -1.187 114.508 115.700 -0.009 0.000 2.501 218 S HA 0.055 4.530 4.470 0.009 0.000 0.220 218 S C 1.810 176.501 174.600 0.151 0.000 0.997 218 S CA 0.157 58.437 58.200 0.132 0.000 0.919 218 S CB -0.244 63.157 63.200 0.335 0.000 0.778 218 S HN 0.032 nan 8.310 nan 0.000 0.523 219 R N 2.250 122.755 120.500 0.009 0.000 2.081 219 R HA -0.016 4.329 4.340 0.009 0.000 0.235 219 R C 2.318 178.395 176.300 -0.372 0.000 1.131 219 R CA 1.617 57.597 56.100 -0.200 0.000 0.960 219 R CB -1.411 28.819 30.300 -0.117 0.000 0.856 219 R HN 0.555 nan 8.270 nan 0.000 0.436 220 S N 0.221 115.802 115.700 -0.197 0.000 2.603 220 S HA 0.034 4.509 4.470 0.009 0.000 0.229 220 S C 1.670 176.157 174.600 -0.187 0.000 0.972 220 S CA 0.455 58.548 58.200 -0.178 0.000 0.935 220 S CB -0.257 62.892 63.200 -0.084 0.000 0.769 220 S HN 0.229 nan 8.310 nan 0.000 0.536 221 L N 0.209 121.336 121.223 -0.162 0.000 2.693 221 L HA 0.484 4.829 4.340 0.009 0.000 0.235 221 L C 0.038 176.896 176.870 -0.020 0.000 1.127 221 L CA -0.342 54.477 54.840 -0.035 0.000 0.914 221 L CB -0.008 42.092 42.059 0.068 0.000 1.193 221 L HN 0.523 nan 8.230 nan 0.000 0.502 222 F N -4.238 115.474 119.950 -0.397 0.000 2.773 222 F HA 0.449 4.980 4.527 0.008 0.000 0.314 222 F C 0.257 175.653 175.800 -0.672 0.000 1.160 222 F CA -0.983 56.733 58.000 -0.474 0.000 0.920 222 F CB 0.805 39.708 39.000 -0.161 0.000 1.323 222 F HN -0.155 nan 8.300 nan 0.000 0.457 223 H N -0.663 118.443 119.070 0.061 0.000 3.091 223 H HA 0.448 5.009 4.556 0.008 0.000 0.249 223 H C -0.119 175.239 175.328 0.050 0.000 0.985 223 H CA -0.053 55.961 56.048 -0.057 0.000 1.177 223 H CB 0.991 30.727 29.762 -0.043 0.000 1.456 223 H HN 0.428 nan 8.280 nan 0.000 0.467 224 R N 0.300 120.993 120.500 0.320 0.000 2.808 224 R HA 0.729 5.074 4.340 0.009 0.000 0.272 224 R C -1.364 175.189 176.300 0.422 0.000 0.995 224 R CA -0.689 55.570 56.100 0.266 0.000 0.917 224 R CB 2.952 33.233 30.300 -0.031 0.000 1.217 224 R HN 0.145 nan 8.270 nan 0.000 0.471 225 A N 1.214 124.299 122.820 0.443 0.000 2.486 225 A HA 0.652 4.977 4.320 0.009 0.000 0.300 225 A C -1.435 176.282 177.584 0.221 0.000 1.048 225 A CA -0.594 51.619 52.037 0.293 0.000 0.696 225 A CB 1.858 20.982 19.000 0.206 0.000 1.278 225 A HN 0.320 nan 8.150 nan 0.000 0.405 226 V N 2.393 122.401 119.914 0.157 0.000 2.444 226 V HA 0.508 4.633 4.120 0.009 0.000 0.294 226 V C -1.147 175.036 176.094 0.149 0.000 1.022 226 V CA -0.345 62.001 62.300 0.077 0.000 0.850 226 V CB 1.217 33.101 31.823 0.101 0.000 0.992 226 V HN 0.679 nan 8.190 nan 0.000 0.426 227 L N 5.286 126.571 121.223 0.103 0.000 2.318 227 L HA 0.516 4.861 4.340 0.009 0.000 0.277 227 L C 0.036 177.008 176.870 0.170 0.000 1.008 227 L CA -0.042 54.854 54.840 0.094 0.000 0.846 227 L CB 1.489 43.555 42.059 0.013 0.000 1.220 227 L HN 0.620 nan 8.230 nan 0.000 0.423 228 Q N 1.926 121.876 119.800 0.251 0.000 2.331 228 Q HA 0.431 4.776 4.340 0.009 0.000 0.257 228 Q C 0.205 176.315 176.000 0.183 0.000 0.957 228 Q CA -0.503 55.505 55.803 0.342 0.000 0.923 228 Q CB 1.136 30.169 28.738 0.493 0.000 1.212 228 Q HN 0.632 nan 8.270 nan 0.000 0.443 229 S N 0.970 116.751 115.700 0.135 0.000 3.614 229 S HA -0.171 4.304 4.470 0.009 0.000 0.360 229 S C 0.071 174.747 174.600 0.127 0.000 1.023 229 S CA 0.522 58.789 58.200 0.112 0.000 1.114 229 S CB -1.257 62.025 63.200 0.136 0.000 0.907 229 S HN 0.989 nan 8.310 nan 0.000 0.470 230 G N -0.368 108.505 108.800 0.123 0.000 2.616 230 G HA2 0.664 4.629 3.960 0.009 0.000 0.294 230 G HA3 0.664 4.629 3.960 0.009 0.000 0.294 230 G C -0.921 174.016 174.900 0.062 0.000 1.489 230 G CA 0.144 45.370 45.100 0.209 0.000 0.836 230 G HN 0.948 nan 8.290 nan 0.000 0.527 231 T N -1.145 113.396 114.554 -0.022 0.000 2.923 231 T HA 0.722 5.077 4.350 0.009 0.000 0.311 231 T C -2.324 172.217 174.700 -0.265 0.000 1.183 231 T CA -1.378 60.638 62.100 -0.139 0.000 1.020 231 T CB 3.111 71.892 68.868 -0.145 0.000 1.165 231 T HN 0.286 nan 8.240 nan 0.000 0.482 232 P HA -0.013 nan 4.420 nan 0.000 0.222 232 P C 0.223 177.363 177.300 -0.266 0.000 1.153 232 P CA 0.595 63.564 63.100 -0.218 0.000 0.798 232 P CB -0.011 31.614 31.700 -0.126 0.000 0.796 233 N N 0.623 119.185 118.700 -0.230 0.000 2.408 233 N HA 0.337 5.082 4.740 0.009 0.000 0.260 233 N C 0.683 175.994 175.510 -0.331 0.000 1.242 233 N CA 0.477 53.394 53.050 -0.222 0.000 0.959 233 N CB 0.639 39.043 38.487 -0.139 0.000 1.201 233 N HN 0.185 nan 8.380 nan 0.000 0.511 234 G N -0.507 108.116 108.800 -0.295 0.000 2.479 234 G HA2 -0.106 3.859 3.960 0.009 0.000 0.686 234 G HA3 -0.106 3.859 3.960 0.009 0.000 0.686 234 G C -2.289 172.377 174.900 -0.389 0.000 1.295 234 G CA -0.285 44.598 45.100 -0.362 0.000 0.922 234 G HN 0.511 nan 8.290 nan 0.000 0.582 235 P HA 0.095 nan 4.420 nan 0.000 0.233 235 P C 1.319 178.575 177.300 -0.073 0.000 1.167 235 P CA 2.050 65.033 63.100 -0.195 0.000 0.770 235 P CB -0.049 31.497 31.700 -0.256 0.000 0.837 236 W N -2.076 119.177 121.300 -0.079 0.000 2.773 236 W HA 0.559 5.223 4.660 0.007 0.000 0.297 236 W C 1.110 177.719 176.519 0.150 0.000 1.050 236 W CA 0.422 57.795 57.345 0.047 0.000 1.467 236 W CB -0.743 28.828 29.460 0.187 0.000 0.977 236 W HN -0.174 nan 8.180 nan 0.000 0.573 237 A N 2.049 124.542 122.820 -0.546 0.000 2.119 237 A HA 0.133 4.458 4.320 0.009 0.000 0.216 237 A C 1.085 178.536 177.584 -0.222 0.000 1.152 237 A CA 1.855 53.646 52.037 -0.410 0.000 0.708 237 A CB -0.794 17.704 19.000 -0.836 0.000 0.805 237 A HN 0.249 nan 8.150 nan 0.000 0.460 238 T N -3.251 111.182 114.554 -0.201 0.000 2.883 238 T HA 0.594 4.950 4.350 0.009 0.000 0.301 238 T C -0.695 173.933 174.700 -0.120 0.000 1.158 238 T CA -0.130 61.859 62.100 -0.184 0.000 1.007 238 T CB 1.442 70.207 68.868 -0.171 0.000 1.186 238 T HN 0.858 nan 8.240 nan 0.000 0.499 239 V N -0.869 118.981 119.914 -0.107 0.000 3.001 239 V HA 0.913 5.038 4.120 0.009 0.000 0.314 239 V C 0.408 176.464 176.094 -0.063 0.000 1.099 239 V CA -0.839 61.414 62.300 -0.077 0.000 0.989 239 V CB 1.336 33.112 31.823 -0.077 0.000 1.040 239 V HN 1.371 nan 8.190 nan 0.000 0.434 240 S N 1.937 117.607 115.700 -0.050 0.000 2.589 240 S HA 0.541 5.016 4.470 0.009 0.000 0.265 240 S C 1.437 176.020 174.600 -0.029 0.000 1.342 240 S CA 0.117 58.295 58.200 -0.037 0.000 1.005 240 S CB 1.091 64.272 63.200 -0.032 0.000 0.909 240 S HN 1.912 nan 8.310 nan 0.000 0.555 241 A N 2.039 124.846 122.820 -0.020 0.000 1.883 241 A HA 0.077 4.402 4.320 0.009 0.000 0.217 241 A C 2.276 179.851 177.584 -0.015 0.000 1.186 241 A CA 1.920 53.949 52.037 -0.013 0.000 0.624 241 A CB -1.961 17.034 19.000 -0.009 0.000 0.822 241 A HN 1.197 nan 8.150 nan 0.000 0.444 242 G N -0.476 108.314 108.800 -0.018 0.000 2.476 242 G HA2 -0.303 3.663 3.960 0.009 0.000 0.218 242 G HA3 -0.303 3.663 3.960 0.009 0.000 0.218 242 G C 1.491 176.377 174.900 -0.022 0.000 1.164 242 G CA 1.534 46.623 45.100 -0.018 0.000 0.768 242 G HN 0.587 nan 8.290 nan 0.000 0.560 243 E N 0.985 121.167 120.200 -0.030 0.000 2.106 243 E HA 0.088 4.443 4.350 0.009 0.000 0.192 243 E C 2.659 179.233 176.600 -0.043 0.000 0.984 243 E CA 1.420 57.796 56.400 -0.041 0.000 0.806 243 E CB -0.612 29.058 29.700 -0.050 0.000 0.750 243 E HN 0.286 nan 8.360 nan 0.000 0.458 244 A N 0.858 123.660 122.820 -0.029 0.000 1.933 244 A HA -0.176 4.149 4.320 0.009 0.000 0.218 244 A C 2.292 179.887 177.584 0.019 0.000 1.175 244 A CA 1.748 53.785 52.037 -0.001 0.000 0.628 244 A CB -0.618 18.392 19.000 0.017 0.000 0.814 244 A HN 0.279 nan 8.150 nan 0.000 0.444 245 R N -0.540 119.959 120.500 -0.001 0.000 2.081 245 R HA -0.132 4.214 4.340 0.009 0.000 0.235 245 R C 2.452 178.750 176.300 -0.003 0.000 1.131 245 R CA 1.618 57.715 56.100 -0.005 0.000 0.960 245 R CB -0.321 29.971 30.300 -0.013 0.000 0.856 245 R HN 0.509 nan 8.270 nan 0.000 0.436 246 R N 0.466 120.960 120.500 -0.011 0.000 2.073 246 R HA -0.128 4.217 4.340 0.009 0.000 0.234 246 R C 2.234 178.530 176.300 -0.006 0.000 1.134 246 R CA 1.892 57.983 56.100 -0.014 0.000 0.952 246 R CB -0.117 30.168 30.300 -0.024 0.000 0.850 246 R HN 0.272 nan 8.270 nan 0.000 0.433 247 R N -0.249 120.240 120.500 -0.018 0.000 2.096 247 R HA -0.060 4.286 4.340 0.009 0.000 0.235 247 R C 2.308 178.696 176.300 0.146 0.000 1.127 247 R CA 1.262 57.348 56.100 -0.023 0.000 0.968 247 R CB -0.275 29.885 30.300 -0.233 0.000 0.861 247 R HN 0.251 nan 8.270 nan 0.000 0.440 248 A N 0.559 123.483 122.820 0.173 0.000 1.873 248 A HA -0.179 4.146 4.320 0.009 0.000 0.215 248 A C 2.299 179.890 177.584 0.012 0.000 1.186 248 A CA 1.995 54.107 52.037 0.125 0.000 0.616 248 A CB -0.944 18.066 19.000 0.017 0.000 0.823 248 A HN 0.415 nan 8.150 nan 0.000 0.442 249 T N -1.328 113.225 114.554 -0.001 0.000 2.821 249 T HA -0.122 4.233 4.350 0.009 0.000 0.267 249 T C 1.815 176.510 174.700 -0.007 0.000 1.046 249 T CA 1.609 63.697 62.100 -0.020 0.000 1.139 249 T CB -0.412 68.442 68.868 -0.024 0.000 0.871 249 T HN 0.204 nan 8.240 nan 0.000 0.454 250 L N 0.965 122.196 121.223 0.013 0.000 2.017 250 L HA 0.154 4.499 4.340 0.009 0.000 0.208 250 L C 2.417 179.306 176.870 0.031 0.000 1.073 250 L CA 1.874 56.726 54.840 0.020 0.000 0.745 250 L CB -1.311 40.763 42.059 0.026 0.000 0.894 250 L HN 0.460 nan 8.230 nan 0.000 0.432 251 L N -0.426 120.842 121.223 0.074 0.000 2.013 251 L HA -0.215 4.130 4.340 0.009 0.000 0.212 251 L C 2.535 179.395 176.870 -0.017 0.000 1.073 251 L CA 2.059 56.944 54.840 0.076 0.000 0.753 251 L CB -0.699 41.453 42.059 0.155 0.000 0.890 251 L HN 0.341 nan 8.230 nan 0.000 0.432 252 A N -0.090 122.705 122.820 -0.042 0.000 1.884 252 A HA -0.309 4.016 4.320 0.009 0.000 0.219 252 A C 2.348 179.898 177.584 -0.056 0.000 1.197 252 A CA 2.295 54.295 52.037 -0.061 0.000 0.637 252 A CB -0.778 18.181 19.000 -0.068 0.000 0.827 252 A HN 0.536 nan 8.150 nan 0.000 0.450 253 R N -0.757 119.717 120.500 -0.043 0.000 2.097 253 R HA -0.159 4.186 4.340 0.009 0.000 0.236 253 R C 2.067 178.320 176.300 -0.078 0.000 1.135 253 R CA 1.786 57.859 56.100 -0.045 0.000 0.934 253 R CB -0.768 29.515 30.300 -0.028 0.000 0.846 253 R HN 0.561 nan 8.270 nan 0.000 0.431 254 L N 0.962 122.122 121.223 -0.104 0.000 2.450 254 L HA -0.128 4.217 4.340 0.009 0.000 0.225 254 L C 1.937 178.563 176.870 -0.407 0.000 1.145 254 L CA 0.727 55.426 54.840 -0.234 0.000 0.801 254 L CB -0.224 41.704 42.059 -0.218 0.000 0.924 254 L HN 0.212 nan 8.230 nan 0.000 0.447 255 V N -5.522 114.252 119.914 -0.233 0.000 3.477 255 V HA 0.617 4.742 4.120 0.009 0.000 0.297 255 V C 1.172 177.227 176.094 -0.065 0.000 1.433 255 V CA 0.345 62.548 62.300 -0.161 0.000 1.052 255 V CB 0.420 32.196 31.823 -0.078 0.000 0.895 255 V HN 0.332 nan 8.190 nan 0.000 0.438 256 G N -0.319 108.445 108.800 -0.059 0.000 2.316 256 G HA2 -0.197 3.768 3.960 0.009 0.000 0.203 256 G HA3 -0.197 3.768 3.960 0.009 0.000 0.203 256 G C 0.273 175.158 174.900 -0.024 0.000 0.999 256 G CA 0.029 45.112 45.100 -0.029 0.000 0.649 256 G HN 0.631 nan 8.290 nan 0.000 0.489 266 D N 1.339 121.728 120.400 -0.018 0.000 2.144 266 D HA -0.064 4.581 4.640 0.009 0.000 0.200 266 D C 1.472 177.758 176.300 -0.023 0.000 0.978 266 D CA 1.611 55.595 54.000 -0.027 0.000 0.833 266 D CB 0.176 40.959 40.800 -0.028 0.000 0.961 266 D HN 0.569 nan 8.370 nan 0.000 0.470 267 T N 1.003 115.550 114.554 -0.011 0.000 2.635 267 T HA -0.175 4.180 4.350 0.009 0.000 0.267 267 T C 1.807 176.506 174.700 -0.000 0.000 1.040 267 T CA 1.252 63.351 62.100 -0.002 0.000 1.156 267 T CB -0.247 68.623 68.868 0.003 0.000 0.863 267 T HN 0.276 nan 8.240 nan 0.000 0.430 268 E N 0.360 120.558 120.200 -0.004 0.000 2.085 268 E HA -0.096 4.259 4.350 0.009 0.000 0.194 268 E C 2.208 178.805 176.600 -0.006 0.000 0.994 268 E CA 0.830 57.229 56.400 -0.002 0.000 0.801 268 E CB -0.250 29.447 29.700 -0.004 0.000 0.743 268 E HN 0.369 nan 8.360 nan 0.000 0.453 269 L N 0.717 121.929 121.223 -0.019 0.000 2.005 269 L HA -0.188 4.157 4.340 0.009 0.000 0.207 269 L C 2.242 179.089 176.870 -0.039 0.000 1.072 269 L CA 1.226 56.046 54.840 -0.034 0.000 0.744 269 L CB -0.098 41.930 42.059 -0.052 0.000 0.895 269 L HN 0.119 nan 8.230 nan 0.000 0.433 270 I N -0.146 120.398 120.570 -0.042 0.000 2.226 270 I HA -0.276 3.899 4.170 0.009 0.000 0.245 270 I C 2.740 178.901 176.117 0.073 0.000 1.100 270 I CA 1.118 62.404 61.300 -0.024 0.000 1.374 270 I CB -0.616 37.373 38.000 -0.019 0.000 1.057 270 I HN 0.325 nan 8.210 nan 0.000 0.413 271 A N -0.249 122.601 122.820 0.049 0.000 1.940 271 A HA -0.301 4.024 4.320 0.009 0.000 0.219 271 A C 2.532 180.149 177.584 0.054 0.000 1.176 271 A CA 2.044 54.114 52.037 0.055 0.000 0.631 271 A CB -1.341 17.678 19.000 0.032 0.000 0.814 271 A HN 0.637 nan 8.150 nan 0.000 0.446 272 c N -0.671 117.951 118.600 0.037 0.000 2.453 272 c HA 0.021 4.596 4.570 0.009 0.000 0.277 272 c C 2.588 176.709 174.090 0.051 0.000 1.262 272 c CA 1.019 57.367 56.329 0.031 0.000 1.718 272 c CB -1.586 40.930 42.510 0.010 0.000 2.031 272 c HN 0.596 nan 8.230 nan 0.000 0.480 273 L N 0.535 121.798 121.223 0.066 0.000 2.081 273 L HA -0.194 4.152 4.340 0.009 0.000 0.212 273 L C 2.989 179.991 176.870 0.220 0.000 1.080 273 L CA 1.802 56.722 54.840 0.134 0.000 0.754 273 L CB -0.638 41.475 42.059 0.090 0.000 0.893 273 L HN 0.384 nan 8.230 nan 0.000 0.433 274 R N -0.685 119.945 120.500 0.215 0.000 2.152 274 R HA -0.124 4.221 4.340 0.009 0.000 0.232 274 R C 2.173 178.496 176.300 0.039 0.000 1.117 274 R CA 1.720 57.880 56.100 0.101 0.000 0.981 274 R CB -0.434 29.913 30.300 0.079 0.000 0.870 274 R HN 0.528 nan 8.270 nan 0.000 0.451 275 T N -1.544 113.038 114.554 0.046 0.000 3.113 275 T HA 0.098 4.453 4.350 0.009 0.000 0.256 275 T C 0.876 175.592 174.700 0.027 0.000 1.131 275 T CA -0.080 62.035 62.100 0.026 0.000 1.074 275 T CB 0.146 69.029 68.868 0.024 0.000 0.944 275 T HN -0.143 nan 8.240 nan 0.000 0.516 276 R N 2.797 123.322 120.500 0.042 0.000 2.438 276 R HA 0.406 4.751 4.340 0.009 0.000 0.287 276 R C -2.687 173.632 176.300 0.032 0.000 1.077 276 R CA -2.646 53.479 56.100 0.043 0.000 1.034 276 R CB -0.014 30.320 30.300 0.057 0.000 0.993 276 R HN 0.267 nan 8.270 nan 0.000 0.459 277 P HA 0.036 nan 4.420 nan 0.000 0.269 277 P C 0.253 177.546 177.300 -0.012 0.000 1.209 277 P CA 0.057 63.153 63.100 -0.006 0.000 0.776 277 P CB 0.592 32.297 31.700 0.008 0.000 0.876 278 A N 2.275 125.016 122.820 -0.131 0.000 1.917 278 A HA -0.279 4.046 4.320 0.009 0.000 0.219 278 A C 2.161 179.695 177.584 -0.084 0.000 1.182 278 A CA 1.893 53.819 52.037 -0.184 0.000 0.633 278 A CB -1.246 17.157 19.000 -0.996 0.000 0.819 278 A HN 0.528 nan 8.150 nan 0.000 0.448 279 Q N 0.022 119.755 119.800 -0.112 0.000 2.170 279 Q HA -0.158 4.187 4.340 0.009 0.000 0.203 279 Q C 1.346 177.456 176.000 0.184 0.000 0.976 279 Q CA 2.006 57.899 55.803 0.149 0.000 0.858 279 Q CB -0.465 28.379 28.738 0.177 0.000 0.907 279 Q HN 0.677 nan 8.270 nan 0.000 0.433 280 D N -0.726 119.761 120.400 0.145 0.000 2.104 280 D HA -0.148 4.497 4.640 0.009 0.000 0.194 280 D C 1.656 178.094 176.300 0.231 0.000 0.994 280 D CA 1.289 55.406 54.000 0.194 0.000 0.830 280 D CB -0.090 40.802 40.800 0.154 0.000 0.959 280 D HN 0.277 nan 8.370 nan 0.000 0.452 281 L N -0.091 121.224 121.223 0.154 0.000 2.046 281 L HA -0.125 4.220 4.340 0.009 0.000 0.208 281 L C 2.409 179.359 176.870 0.134 0.000 1.077 281 L CA 0.587 55.473 54.840 0.076 0.000 0.747 281 L CB -0.618 41.352 42.059 -0.148 0.000 0.896 281 L HN 0.002 nan 8.230 nan 0.000 0.432 282 V N 0.009 120.073 119.914 0.250 0.000 2.343 282 V HA -0.277 3.848 4.120 0.009 0.000 0.247 282 V C 2.036 178.283 176.094 0.256 0.000 1.051 282 V CA 1.899 64.398 62.300 0.331 0.000 1.036 282 V CB -0.600 31.529 31.823 0.510 0.000 0.654 282 V HN 0.417 nan 8.190 nan 0.000 0.451 283 D N -0.847 119.669 120.400 0.194 0.000 2.263 283 D HA -0.134 4.512 4.640 0.009 0.000 0.208 283 D C 1.818 178.003 176.300 -0.191 0.000 0.971 283 D CA 1.374 55.399 54.000 0.041 0.000 0.867 283 D CB -0.194 40.596 40.800 -0.017 0.000 0.929 283 D HN 0.638 nan 8.370 nan 0.000 0.492 284 H N -0.967 118.152 119.070 0.080 0.000 2.827 284 H HA 0.178 4.739 4.556 0.008 0.000 0.269 284 H C 1.548 176.820 175.328 -0.094 0.000 1.031 284 H CA -0.036 56.029 56.048 0.028 0.000 1.202 284 H CB 0.580 30.448 29.762 0.176 0.000 1.511 284 H HN 0.045 nan 8.280 nan 0.000 0.517 285 E N 0.604 120.812 120.200 0.014 0.000 2.136 285 E HA -0.257 4.098 4.350 0.009 0.000 0.202 285 E C 0.583 176.972 176.600 -0.351 0.000 1.019 285 E CA 1.739 58.089 56.400 -0.084 0.000 0.819 285 E CB -0.081 29.509 29.700 -0.184 0.000 0.739 285 E HN 0.600 nan 8.360 nan 0.000 0.458 286 W N -0.543 120.590 121.300 -0.279 0.000 3.180 286 W HA 0.027 4.691 4.660 0.008 0.000 0.254 286 W C 1.243 177.643 176.519 -0.200 0.000 1.318 286 W CA -0.036 57.123 57.345 -0.311 0.000 1.608 286 W CB 0.346 29.570 29.460 -0.394 0.000 1.124 286 W HN 0.180 nan 8.180 nan 0.000 0.694 287 H N -0.329 118.833 119.070 0.154 0.000 2.517 287 H HA 0.124 4.685 4.556 0.009 0.000 0.282 287 H C 1.671 177.034 175.328 0.058 0.000 1.023 287 H CA 0.544 56.665 56.048 0.122 0.000 1.169 287 H CB -0.495 29.367 29.762 0.168 0.000 1.454 287 H HN 0.235 nan 8.280 nan 0.000 0.556 288 V N -2.357 117.598 119.914 0.070 0.000 3.528 288 V HA 0.284 4.409 4.120 0.009 0.000 0.294 288 V C 0.555 176.601 176.094 -0.081 0.000 1.404 288 V CA -0.219 62.074 62.300 -0.012 0.000 1.065 288 V CB -0.214 31.575 31.823 -0.058 0.000 0.904 288 V HN -0.028 nan 8.190 nan 0.000 0.435 289 L N 2.384 123.570 121.223 -0.062 0.000 2.380 289 L HA 0.360 4.705 4.340 0.009 0.000 0.273 289 L C -0.482 176.366 176.870 -0.036 0.000 1.138 289 L CA -1.296 53.499 54.840 -0.075 0.000 0.832 289 L CB 0.934 42.962 42.059 -0.051 0.000 1.124 289 L HN 0.086 nan 8.230 nan 0.000 0.454 290 P HA -0.106 nan 4.420 nan 0.000 0.220 290 P C -0.297 176.995 177.300 -0.013 0.000 1.148 290 P CA 1.151 64.236 63.100 -0.026 0.000 0.803 290 P CB 0.375 32.056 31.700 -0.031 0.000 0.782 291 Q N -1.336 118.457 119.800 -0.013 0.000 2.456 291 Q HA 0.320 4.665 4.340 0.009 0.000 0.284 291 Q C -0.585 175.414 176.000 -0.002 0.000 1.061 291 Q CA -0.762 55.038 55.803 -0.004 0.000 0.799 291 Q CB 1.334 30.069 28.738 -0.005 0.000 1.445 291 Q HN -0.046 nan 8.270 nan 0.000 0.411 292 E N 1.150 121.353 120.200 0.005 0.000 2.493 292 E HA 0.227 4.582 4.350 0.009 0.000 0.255 292 E C -0.901 175.695 176.600 -0.007 0.000 0.999 292 E CA 0.266 56.670 56.400 0.006 0.000 0.934 292 E CB 0.305 30.012 29.700 0.012 0.000 0.940 292 E HN 0.625 nan 8.360 nan 0.000 0.473 293 S N 3.719 119.406 115.700 -0.023 0.000 2.656 293 S HA 0.696 5.171 4.470 0.009 0.000 0.273 293 S C -0.415 174.138 174.600 -0.078 0.000 1.168 293 S CA -1.025 57.149 58.200 -0.044 0.000 0.817 293 S CB 0.872 64.033 63.200 -0.064 0.000 1.146 293 S HN 0.551 nan 8.310 nan 0.000 0.475 294 I N -3.449 117.069 120.570 -0.088 0.000 2.934 294 I HA 0.795 4.970 4.170 0.009 0.000 0.306 294 I C -0.452 175.542 176.117 -0.204 0.000 1.110 294 I CA -1.211 59.991 61.300 -0.164 0.000 1.019 294 I CB 1.311 39.305 38.000 -0.010 0.000 1.227 294 I HN 0.730 nan 8.210 nan 0.000 0.434 295 F N 1.650 121.181 119.950 -0.698 0.000 3.091 295 F HA -0.179 4.353 4.527 0.009 0.000 0.288 295 F C -0.284 174.870 175.800 -1.077 0.000 0.907 295 F CA 0.686 58.193 58.000 -0.822 0.000 1.028 295 F CB -0.589 38.187 39.000 -0.373 0.000 1.022 295 F HN 0.591 nan 8.300 nan 0.000 0.665 296 R N 0.434 120.226 120.500 -1.180 0.000 2.621 296 R HA 0.646 4.991 4.340 0.009 0.000 0.284 296 R C -1.027 174.655 176.300 -1.029 0.000 0.998 296 R CA -0.561 54.992 56.100 -0.911 0.000 0.895 296 R CB 1.323 31.422 30.300 -0.335 0.000 1.195 296 R HN 0.011 nan 8.270 nan 0.000 0.450 297 F N -0.795 119.168 119.950 0.022 0.000 2.565 297 F HA 0.378 4.910 4.527 0.008 0.000 0.313 297 F C 1.452 177.093 175.800 -0.265 0.000 1.091 297 F CA -0.846 57.092 58.000 -0.104 0.000 0.915 297 F CB 1.874 40.931 39.000 0.095 0.000 1.208 297 F HN 0.322 nan 8.300 nan 0.000 0.453 298 S N 0.626 116.091 115.700 -0.392 0.000 2.357 298 S HA 0.025 4.500 4.470 0.009 0.000 0.221 298 S C -0.013 174.020 174.600 -0.946 0.000 1.031 298 S CA 1.095 58.854 58.200 -0.734 0.000 0.982 298 S CB -0.193 62.424 63.200 -0.972 0.000 0.853 298 S HN 0.366 nan 8.310 nan 0.000 0.458 299 F N 1.742 121.657 119.950 -0.058 0.000 2.366 299 F HA 0.544 5.076 4.527 0.009 0.000 0.366 299 F C -0.014 175.752 175.800 -0.056 0.000 1.096 299 F CA -1.072 56.932 58.000 0.007 0.000 1.060 299 F CB 1.066 40.106 39.000 0.067 0.000 1.282 299 F HN -0.109 nan 8.300 nan 0.000 0.450 300 V N 0.510 120.354 119.914 -0.117 0.000 3.155 300 V HA 0.770 4.895 4.120 0.009 0.000 0.313 300 V C -2.836 172.857 176.094 -0.669 0.000 1.162 300 V CA -3.453 58.467 62.300 -0.634 0.000 1.048 300 V CB 1.969 33.639 31.823 -0.254 0.000 1.092 300 V HN 0.260 nan 8.190 nan 0.000 0.447 301 P HA 0.081 nan 4.420 nan 0.000 0.261 301 P C -0.517 176.641 177.300 -0.237 0.000 1.173 301 P CA 0.581 63.392 63.100 -0.482 0.000 0.760 301 P CB 0.424 31.769 31.700 -0.591 0.000 0.783 302 V N 5.314 125.168 119.914 -0.101 0.000 2.612 302 V HA 0.200 4.325 4.120 0.009 0.000 0.301 302 V C -0.171 175.895 176.094 -0.046 0.000 1.046 302 V CA -0.752 61.513 62.300 -0.059 0.000 0.946 302 V CB 1.852 33.670 31.823 -0.009 0.000 1.003 302 V HN 0.141 nan 8.190 nan 0.000 0.459 303 V N 7.348 127.239 119.914 -0.037 0.000 2.326 303 V HA 0.189 4.314 4.120 0.009 0.000 0.249 303 V C 0.730 176.827 176.094 0.004 0.000 1.114 303 V CA 0.222 62.514 62.300 -0.014 0.000 1.028 303 V CB 0.151 31.960 31.823 -0.023 0.000 1.170 303 V HN 1.058 nan 8.190 nan 0.000 0.494 304 D N 2.712 123.127 120.400 0.026 0.000 2.367 304 D HA 0.109 4.754 4.640 0.009 0.000 0.207 304 D C 1.553 177.874 176.300 0.035 0.000 1.034 304 D CA 0.674 54.694 54.000 0.032 0.000 0.861 304 D CB 0.368 41.199 40.800 0.051 0.000 0.943 304 D HN 0.671 nan 8.370 nan 0.000 0.515 305 G N 0.868 109.691 108.800 0.037 0.000 2.168 305 G HA2 -0.320 3.645 3.960 0.009 0.000 0.257 305 G HA3 -0.320 3.645 3.960 0.009 0.000 0.257 305 G C 0.361 175.284 174.900 0.039 0.000 0.997 305 G CA 0.828 45.946 45.100 0.031 0.000 0.708 305 G HN 0.536 nan 8.290 nan 0.000 0.520 306 D N -1.571 118.869 120.400 0.066 0.000 3.054 306 D HA 0.201 4.846 4.640 0.009 0.000 0.209 306 D C 1.762 178.117 176.300 0.092 0.000 1.527 306 D CA 0.342 54.384 54.000 0.070 0.000 1.427 306 D CB -0.569 40.281 40.800 0.083 0.000 1.059 306 D HN 0.074 nan 8.370 nan 0.000 0.243 307 F N 1.321 121.274 119.950 0.006 0.000 2.069 307 F HA 0.130 4.662 4.527 0.008 0.000 0.298 307 F C 0.738 176.535 175.800 -0.004 0.000 1.113 307 F CA 1.250 59.253 58.000 0.005 0.000 1.214 307 F CB 0.064 39.062 39.000 -0.003 0.000 0.978 307 F HN -0.014 nan 8.300 nan 0.000 0.474 308 L N 0.730 122.127 121.223 0.290 0.000 2.276 308 L HA 0.182 4.527 4.340 0.009 0.000 0.286 308 L C 1.348 178.267 176.870 0.082 0.000 1.024 308 L CA -0.165 54.773 54.840 0.164 0.000 0.826 308 L CB 1.385 43.514 42.059 0.116 0.000 1.211 308 L HN 0.103 nan 8.230 nan 0.000 0.422 309 S N 0.635 116.366 115.700 0.051 0.000 2.453 309 S HA 0.002 4.477 4.470 0.009 0.000 0.231 309 S C 0.453 175.066 174.600 0.021 0.000 1.005 309 S CA 0.397 58.614 58.200 0.028 0.000 0.949 309 S CB 0.202 63.409 63.200 0.012 0.000 0.774 309 S HN 0.699 nan 8.310 nan 0.000 0.510 310 D N 0.284 120.697 120.400 0.022 0.000 2.825 310 D HA 0.318 4.963 4.640 0.009 0.000 0.327 310 D C -0.730 175.575 176.300 0.008 0.000 1.277 310 D CA 0.040 54.047 54.000 0.011 0.000 0.950 310 D CB 1.371 42.176 40.800 0.008 0.000 1.438 310 D HN 0.210 nan 8.370 nan 0.000 0.526 311 T N -1.012 113.540 114.554 -0.005 0.000 2.903 311 T HA 0.243 4.598 4.350 0.009 0.000 0.314 311 T C -1.797 172.896 174.700 -0.012 0.000 1.078 311 T CA -0.607 61.481 62.100 -0.019 0.000 1.114 311 T CB 1.063 69.915 68.868 -0.028 0.000 0.987 311 T HN 0.098 nan 8.240 nan 0.000 0.548 312 P HA -0.095 nan 4.420 nan 0.000 0.215 312 P C 1.536 178.829 177.300 -0.012 0.000 1.153 312 P CA 1.041 64.127 63.100 -0.024 0.000 0.853 312 P CB 0.035 31.692 31.700 -0.072 0.000 0.788 313 E N -0.122 120.061 120.200 -0.030 0.000 2.065 313 E HA -0.295 4.061 4.350 0.009 0.000 0.201 313 E C 1.899 178.507 176.600 0.012 0.000 1.016 313 E CA 1.755 58.147 56.400 -0.014 0.000 0.818 313 E CB -0.580 29.105 29.700 -0.025 0.000 0.749 313 E HN 0.086 nan 8.360 nan 0.000 0.453 314 A N 0.883 123.708 122.820 0.009 0.000 1.877 314 A HA -0.160 4.166 4.320 0.009 0.000 0.216 314 A C 2.262 179.867 177.584 0.036 0.000 1.186 314 A CA 1.489 53.535 52.037 0.016 0.000 0.620 314 A CB -0.662 18.342 19.000 0.007 0.000 0.822 314 A HN 0.324 nan 8.150 nan 0.000 0.443 315 L N -0.007 121.246 121.223 0.050 0.000 2.217 315 L HA -0.089 4.256 4.340 0.009 0.000 0.211 315 L C 2.530 179.508 176.870 0.179 0.000 1.107 315 L CA 1.146 56.039 54.840 0.088 0.000 0.783 315 L CB -0.685 41.430 42.059 0.095 0.000 0.919 315 L HN 0.659 nan 8.230 nan 0.000 0.442 316 I N -2.356 118.316 120.570 0.170 0.000 2.286 316 I HA -0.159 4.016 4.170 0.009 0.000 0.245 316 I C 2.132 178.393 176.117 0.240 0.000 1.104 316 I CA 1.350 62.807 61.300 0.262 0.000 1.397 316 I CB -0.548 37.520 38.000 0.113 0.000 1.072 316 I HN 0.164 nan 8.210 nan 0.000 0.417 317 N N 1.388 120.160 118.700 0.120 0.000 2.166 317 N HA -0.154 4.591 4.740 0.009 0.000 0.186 317 N C 1.874 177.411 175.510 0.046 0.000 1.019 317 N CA 2.333 55.431 53.050 0.080 0.000 0.856 317 N CB -0.613 37.901 38.487 0.046 0.000 0.993 317 N HN 0.697 nan 8.380 nan 0.000 0.426 318 T N -3.227 111.338 114.554 0.018 0.000 3.085 318 T HA 0.368 4.723 4.350 0.009 0.000 0.264 318 T C 0.701 175.329 174.700 -0.119 0.000 1.019 318 T CA -0.502 61.576 62.100 -0.036 0.000 0.910 318 T CB 0.093 68.946 68.868 -0.025 0.000 1.059 318 T HN 0.073 nan 8.240 nan 0.000 0.542 319 G N 0.451 109.124 108.800 -0.211 0.000 2.437 319 G HA2 0.498 4.463 3.960 0.009 0.000 0.319 319 G HA3 0.498 4.463 3.960 0.009 0.000 0.319 319 G C -1.435 172.935 174.900 -0.885 0.000 1.158 319 G CA -0.598 44.175 45.100 -0.544 0.000 0.899 319 G HN 0.290 nan 8.290 nan 0.000 0.502 320 D N -0.007 119.919 120.400 -0.789 0.000 2.373 320 D HA 0.403 5.048 4.640 0.009 0.000 0.227 320 D C -0.464 175.486 176.300 -0.583 0.000 1.091 320 D CA -0.601 53.073 54.000 -0.543 0.000 0.840 320 D CB 0.606 41.254 40.800 -0.254 0.000 1.060 320 D HN 0.070 nan 8.370 nan 0.000 0.502 321 F N 2.513 122.472 119.950 0.016 0.000 2.791 321 F HA 0.225 4.756 4.527 0.008 0.000 0.308 321 F C 1.860 177.673 175.800 0.022 0.000 1.138 321 F CA -0.515 57.498 58.000 0.023 0.000 1.294 321 F CB -0.086 38.937 39.000 0.038 0.000 0.975 321 F HN 0.322 nan 8.300 nan 0.000 0.512 322 Q N 1.214 121.073 119.800 0.098 0.000 2.045 322 Q HA -0.288 4.057 4.340 0.009 0.000 0.215 322 Q C 1.116 177.161 176.000 0.077 0.000 1.026 322 Q CA 2.421 58.262 55.803 0.063 0.000 0.885 322 Q CB -0.317 28.431 28.738 0.016 0.000 0.984 322 Q HN 0.287 nan 8.270 nan 0.000 0.414 323 D N -1.231 119.212 120.400 0.072 0.000 2.324 323 D HA 0.120 4.765 4.640 0.009 0.000 0.235 323 D C -0.962 175.380 176.300 0.070 0.000 1.095 323 D CA 0.032 54.064 54.000 0.053 0.000 0.871 323 D CB 0.185 40.999 40.800 0.024 0.000 0.906 323 D HN 0.038 nan 8.370 nan 0.000 0.522 324 L N 1.198 122.489 121.223 0.113 0.000 2.298 324 L HA 0.370 4.716 4.340 0.009 0.000 0.284 324 L C -0.875 176.079 176.870 0.140 0.000 1.013 324 L CA -0.536 54.382 54.840 0.130 0.000 0.824 324 L CB 1.454 43.612 42.059 0.164 0.000 1.221 324 L HN -0.178 nan 8.230 nan 0.000 0.418 325 Q N 3.399 123.292 119.800 0.156 0.000 2.271 325 Q HA 0.761 5.106 4.340 0.009 0.000 0.258 325 Q C -1.235 175.053 176.000 0.479 0.000 0.936 325 Q CA -0.418 55.537 55.803 0.253 0.000 0.909 325 Q CB 2.553 31.363 28.738 0.120 0.000 1.253 325 Q HN 0.414 nan 8.270 nan 0.000 0.440 326 V N 2.826 123.022 119.914 0.470 0.000 2.733 326 V HA 0.417 4.542 4.120 0.009 0.000 0.306 326 V C -1.487 174.572 176.094 -0.059 0.000 1.084 326 V CA -0.829 61.619 62.300 0.246 0.000 0.905 326 V CB 2.019 33.893 31.823 0.085 0.000 1.010 326 V HN 0.607 nan 8.190 nan 0.000 0.424 327 L N 7.041 127.988 121.223 -0.461 0.000 2.307 327 L HA 0.915 5.260 4.340 0.009 0.000 0.284 327 L C -0.441 176.325 176.870 -0.174 0.000 1.023 327 L CA -0.100 54.406 54.840 -0.557 0.000 0.810 327 L CB 1.710 43.006 42.059 -1.271 0.000 1.231 327 L HN 0.618 nan 8.230 nan 0.000 0.423 328 V N 2.029 121.923 119.914 -0.032 0.000 3.007 328 V HA 1.130 5.256 4.120 0.009 0.000 0.311 328 V C -0.254 175.686 176.094 -0.257 0.000 1.120 328 V CA 0.222 62.488 62.300 -0.058 0.000 0.980 328 V CB 1.210 32.955 31.823 -0.131 0.000 1.033 328 V HN 1.108 nan 8.190 nan 0.000 0.429 329 G N 0.718 109.229 108.800 -0.482 0.000 2.430 329 G HA2 0.754 4.719 3.960 0.009 0.000 0.300 329 G HA3 0.754 4.719 3.960 0.009 0.000 0.300 329 G C -1.197 173.392 174.900 -0.518 0.000 1.330 329 G CA 0.137 44.609 45.100 -1.047 0.000 0.813 329 G HN 2.131 nan 8.290 nan 0.000 0.487 330 V N -2.330 117.366 119.914 -0.363 0.000 3.159 330 V HA 0.916 5.041 4.120 0.009 0.000 0.308 330 V C 0.265 176.491 176.094 0.220 0.000 1.190 330 V CA -0.376 61.923 62.300 -0.002 0.000 1.037 330 V CB 1.142 32.953 31.823 -0.019 0.000 1.060 330 V HN 1.948 nan 8.190 nan 0.000 0.437 331 V N -0.165 119.909 119.914 0.267 0.000 2.997 331 V HA 0.552 4.677 4.120 0.009 0.000 0.311 331 V C 1.452 177.704 176.094 0.263 0.000 1.066 331 V CA -0.052 62.462 62.300 0.356 0.000 1.039 331 V CB 1.153 33.176 31.823 0.333 0.000 1.081 331 V HN 1.052 nan 8.190 nan 0.000 0.467 332 K N 0.026 120.588 120.400 0.270 0.000 2.074 332 K HA -0.126 4.199 4.320 0.009 0.000 0.209 332 K C 0.268 176.960 176.600 0.153 0.000 1.048 332 K CA 2.127 58.527 56.287 0.189 0.000 0.926 332 K CB 0.008 32.604 32.500 0.160 0.000 0.713 332 K HN 0.915 nan 8.250 nan 0.000 0.444 333 D N 0.730 121.214 120.400 0.140 0.000 2.441 333 D HA 0.040 4.685 4.640 0.009 0.000 0.287 333 D C 0.003 176.354 176.300 0.085 0.000 1.198 333 D CA -0.088 53.971 54.000 0.099 0.000 0.894 333 D CB 1.453 42.287 40.800 0.056 0.000 1.070 333 D HN 0.101 nan 8.370 nan 0.000 0.499 334 E N 0.581 120.863 120.200 0.137 0.000 2.204 334 E HA -0.071 4.284 4.350 0.009 0.000 0.194 334 E C 1.856 178.602 176.600 0.244 0.000 0.989 334 E CA 0.451 56.977 56.400 0.210 0.000 0.824 334 E CB 0.281 30.106 29.700 0.208 0.000 0.756 334 E HN 0.465 nan 8.360 nan 0.000 0.477 335 G N 0.813 109.708 108.800 0.159 0.000 2.986 335 G HA2 -0.101 3.864 3.960 0.009 0.000 0.213 335 G HA3 -0.101 3.864 3.960 0.009 0.000 0.213 335 G C 1.648 176.607 174.900 0.099 0.000 1.156 335 G CA 0.594 45.801 45.100 0.178 0.000 0.763 335 G HN 0.315 nan 8.290 nan 0.000 0.547 336 S N -0.184 115.517 115.700 0.002 0.000 2.371 336 S HA -0.139 4.336 4.470 0.009 0.000 0.224 336 S C 2.049 176.530 174.600 -0.199 0.000 1.029 336 S CA 0.903 59.066 58.200 -0.061 0.000 0.978 336 S CB -0.703 62.394 63.200 -0.171 0.000 0.833 336 S HN 0.356 nan 8.310 nan 0.000 0.466 337 Y N 1.459 121.457 120.300 -0.503 0.000 2.102 337 Y HA -0.179 4.375 4.550 0.008 0.000 0.280 337 Y C 1.787 177.467 175.900 -0.366 0.000 1.178 337 Y CA 2.051 59.718 58.100 -0.721 0.000 1.146 337 Y CB -0.439 37.322 38.460 -1.165 0.000 0.968 337 Y HN 0.326 nan 8.280 nan 0.000 0.504 338 F N -1.134 118.921 119.950 0.175 0.000 2.789 338 F HA -0.026 4.506 4.527 0.008 0.000 0.300 338 F C 1.797 177.694 175.800 0.161 0.000 1.132 338 F CA -0.129 58.006 58.000 0.225 0.000 1.404 338 F CB 0.008 39.082 39.000 0.123 0.000 1.114 338 F HN 0.009 nan 8.300 nan 0.000 0.584 339 L N -0.072 121.254 121.223 0.173 0.000 2.127 339 L HA -0.194 4.151 4.340 0.009 0.000 0.211 339 L C 2.460 179.415 176.870 0.141 0.000 1.089 339 L CA 1.216 56.030 54.840 -0.043 0.000 0.757 339 L CB -0.833 40.954 42.059 -0.452 0.000 0.899 339 L HN 0.182 nan 8.230 nan 0.000 0.434 340 V N -4.976 115.075 119.914 0.229 0.000 3.217 340 V HA -0.164 3.961 4.120 0.009 0.000 0.264 340 V C 1.834 177.979 176.094 0.085 0.000 1.135 340 V CA 0.837 63.269 62.300 0.221 0.000 1.142 340 V CB -0.968 30.975 31.823 0.200 0.000 0.754 340 V HN 0.281 nan 8.190 nan 0.000 0.484 341 Y N 1.897 122.308 120.300 0.185 0.000 2.517 341 Y HA 0.533 5.088 4.550 0.008 0.000 0.281 341 Y C 2.111 178.056 175.900 0.075 0.000 1.125 341 Y CA 0.914 59.104 58.100 0.150 0.000 1.283 341 Y CB 0.579 39.184 38.460 0.242 0.000 1.042 341 Y HN 0.452 nan 8.280 nan 0.000 0.547 342 G N -1.047 107.877 108.800 0.206 0.000 4.636 342 G HA2 0.165 4.130 3.960 0.009 0.000 0.212 342 G HA3 0.165 4.130 3.960 0.009 0.000 0.212 342 G C -1.160 173.813 174.900 0.122 0.000 0.829 342 G CA -0.340 44.835 45.100 0.125 0.000 0.833 342 G HN -0.070 nan 8.290 nan 0.000 0.510 343 V N 2.312 122.325 119.914 0.166 0.000 2.364 343 V HA 0.391 4.516 4.120 0.009 0.000 0.272 343 V C -2.031 174.246 176.094 0.305 0.000 1.036 343 V CA -1.769 60.662 62.300 0.219 0.000 0.880 343 V CB 1.536 33.474 31.823 0.191 0.000 0.991 343 V HN 0.048 nan 8.190 nan 0.000 0.460 344 P HA 0.353 nan 4.420 nan 0.000 0.268 344 P C 0.983 178.345 177.300 0.104 0.000 1.205 344 P CA 0.985 64.161 63.100 0.127 0.000 0.771 344 P CB 0.947 32.690 31.700 0.071 0.000 0.858 345 G N 1.151 109.953 108.800 0.004 0.000 2.339 345 G HA2 -0.199 3.766 3.960 0.009 0.000 0.209 345 G HA3 -0.199 3.766 3.960 0.009 0.000 0.209 345 G C -0.188 174.521 174.900 -0.319 0.000 1.015 345 G CA -0.571 44.407 45.100 -0.204 0.000 0.635 345 G HN 0.406 nan 8.290 nan 0.000 0.499 346 F N 1.778 121.724 119.950 -0.007 0.000 2.399 346 F HA 0.772 5.303 4.527 0.008 0.000 0.334 346 F C 0.686 176.553 175.800 0.112 0.000 1.097 346 F CA 0.141 58.149 58.000 0.014 0.000 1.076 346 F CB 2.163 41.218 39.000 0.092 0.000 1.162 346 F HN 0.245 nan 8.300 nan 0.000 0.495 347 S N 1.498 117.421 115.700 0.372 0.000 2.547 347 S HA 0.261 4.736 4.470 0.009 0.000 0.270 347 S C 0.205 175.075 174.600 0.451 0.000 1.150 347 S CA -0.854 57.549 58.200 0.339 0.000 0.850 347 S CB 1.407 64.711 63.200 0.175 0.000 1.118 347 S HN 0.763 nan 8.310 nan 0.000 0.461 348 K N 1.235 121.794 120.400 0.266 0.000 2.288 348 K HA 0.094 4.420 4.320 0.009 0.000 0.201 348 K C 0.162 176.786 176.600 0.041 0.000 1.048 348 K CA 1.314 57.658 56.287 0.096 0.000 0.956 348 K CB -0.146 32.150 32.500 -0.339 0.000 0.746 348 K HN 0.486 nan 8.250 nan 0.000 0.461 349 D N 0.856 121.282 120.400 0.042 0.000 2.339 349 D HA 0.018 4.663 4.640 0.009 0.000 0.217 349 D C -0.271 176.058 176.300 0.049 0.000 1.050 349 D CA 0.276 54.275 54.000 -0.002 0.000 0.856 349 D CB 0.082 40.865 40.800 -0.028 0.000 0.922 349 D HN 0.510 nan 8.370 nan 0.000 0.518 350 N N -1.232 117.537 118.700 0.116 0.000 3.316 350 N HA 0.083 4.828 4.740 0.009 0.000 0.300 350 N C 0.370 175.947 175.510 0.112 0.000 1.567 350 N CA -0.516 52.581 53.050 0.078 0.000 0.821 350 N CB 0.757 39.244 38.487 -0.001 0.000 1.748 350 N HN -0.430 nan 8.380 nan 0.000 0.603 351 E N -0.320 119.860 120.200 -0.032 0.000 2.427 351 E HA 0.040 4.395 4.350 0.009 0.000 0.196 351 E C -0.432 175.813 176.600 -0.593 0.000 1.028 351 E CA 0.540 56.843 56.400 -0.163 0.000 0.864 351 E CB -0.612 29.028 29.700 -0.100 0.000 0.813 351 E HN 0.590 nan 8.360 nan 0.000 0.514 352 S N 0.451 115.846 115.700 -0.507 0.000 3.524 352 S HA -0.199 4.276 4.470 0.009 0.000 0.377 352 S C 0.294 174.485 174.600 -0.681 0.000 0.949 352 S CA 0.194 57.983 58.200 -0.686 0.000 1.264 352 S CB -2.048 60.565 63.200 -0.978 0.000 0.918 352 S HN 0.265 nan 8.310 nan 0.000 0.517 353 L N 1.714 122.678 121.223 -0.432 0.000 2.319 353 L HA 0.595 4.940 4.340 0.009 0.000 0.280 353 L C 0.740 177.406 176.870 -0.339 0.000 1.099 353 L CA -0.427 54.211 54.840 -0.336 0.000 0.828 353 L CB 0.402 42.334 42.059 -0.212 0.000 1.150 353 L HN 0.529 nan 8.230 nan 0.000 0.442 354 I N -0.268 120.106 120.570 -0.326 0.000 3.023 354 I HA 0.728 4.903 4.170 0.009 0.000 0.312 354 I C 0.264 176.298 176.117 -0.138 0.000 1.056 354 I CA -0.648 60.484 61.300 -0.279 0.000 1.033 354 I CB 2.085 39.867 38.000 -0.363 0.000 1.233 354 I HN 0.557 nan 8.210 nan 0.000 0.462 355 S N 1.263 116.917 115.700 -0.077 0.000 2.745 355 S HA 0.477 4.952 4.470 0.009 0.000 0.292 355 S C 0.805 175.428 174.600 0.038 0.000 1.133 355 S CA -0.654 57.529 58.200 -0.027 0.000 0.998 355 S CB 1.767 64.957 63.200 -0.017 0.000 1.087 355 S HN 0.823 nan 8.310 nan 0.000 0.551 356 R N 0.288 120.816 120.500 0.047 0.000 2.091 356 R HA -0.095 4.250 4.340 0.009 0.000 0.238 356 R C 2.333 178.730 176.300 0.161 0.000 1.136 356 R CA 1.714 57.885 56.100 0.117 0.000 0.959 356 R CB -1.106 29.239 30.300 0.075 0.000 0.856 356 R HN 0.830 nan 8.270 nan 0.000 0.437 357 A N 0.389 123.265 122.820 0.092 0.000 1.877 357 A HA -0.224 4.102 4.320 0.009 0.000 0.216 357 A C 2.034 179.666 177.584 0.080 0.000 1.186 357 A CA 1.593 53.675 52.037 0.074 0.000 0.620 357 A CB -0.536 18.490 19.000 0.043 0.000 0.822 357 A HN 0.497 nan 8.150 nan 0.000 0.443 358 Q N -1.923 117.923 119.800 0.077 0.000 2.226 358 Q HA -0.135 4.210 4.340 0.009 0.000 0.204 358 Q C 1.837 177.933 176.000 0.161 0.000 0.975 358 Q CA 1.524 57.376 55.803 0.082 0.000 0.866 358 Q CB -0.271 28.478 28.738 0.018 0.000 0.915 358 Q HN 0.818 nan 8.270 nan 0.000 0.440 359 F N 0.796 120.770 119.950 0.040 0.000 2.163 359 F HA -0.111 4.420 4.527 0.008 0.000 0.297 359 F C 1.696 177.535 175.800 0.065 0.000 1.094 359 F CA 0.822 58.862 58.000 0.067 0.000 1.290 359 F CB 0.092 39.114 39.000 0.037 0.000 1.017 359 F HN -0.066 nan 8.300 nan 0.000 0.483 360 L N 0.348 121.528 121.223 -0.073 0.000 2.083 360 L HA -0.199 4.146 4.340 0.009 0.000 0.209 360 L C 2.800 179.594 176.870 -0.126 0.000 1.083 360 L CA 1.267 56.012 54.840 -0.159 0.000 0.752 360 L CB -1.543 40.518 42.059 0.003 0.000 0.899 360 L HN 0.302 nan 8.230 nan 0.000 0.433 361 A N 0.518 123.312 122.820 -0.043 0.000 1.929 361 A HA -0.037 4.288 4.320 0.009 0.000 0.216 361 A C 2.425 179.996 177.584 -0.023 0.000 1.176 361 A CA 1.430 53.458 52.037 -0.014 0.000 0.628 361 A CB -1.022 17.991 19.000 0.023 0.000 0.816 361 A HN 0.418 nan 8.150 nan 0.000 0.444 362 G N -0.547 108.241 108.800 -0.019 0.000 2.432 362 G HA2 -0.091 3.874 3.960 0.009 0.000 0.219 362 G HA3 -0.091 3.874 3.960 0.009 0.000 0.219 362 G C 1.453 176.301 174.900 -0.087 0.000 1.135 362 G CA 1.225 46.329 45.100 0.007 0.000 0.767 362 G HN 0.305 nan 8.290 nan 0.000 0.550 363 V N 0.893 120.674 119.914 -0.222 0.000 2.427 363 V HA -0.097 4.028 4.120 0.009 0.000 0.248 363 V C 2.933 178.971 176.094 -0.093 0.000 1.051 363 V CA 1.430 63.600 62.300 -0.216 0.000 1.048 363 V CB -0.352 31.254 31.823 -0.361 0.000 0.666 363 V HN 0.197 nan 8.190 nan 0.000 0.456 364 R N -0.049 120.409 120.500 -0.071 0.000 2.120 364 R HA -0.017 4.328 4.340 0.009 0.000 0.234 364 R C 1.990 178.281 176.300 -0.014 0.000 1.123 364 R CA 1.394 57.477 56.100 -0.029 0.000 0.975 364 R CB -0.855 29.434 30.300 -0.018 0.000 0.866 364 R HN 0.476 nan 8.270 nan 0.000 0.446 365 I N -0.690 119.873 120.570 -0.012 0.000 2.480 365 I HA -0.040 4.135 4.170 0.009 0.000 0.251 365 I C 2.183 178.304 176.117 0.007 0.000 1.124 365 I CA 1.271 62.572 61.300 0.002 0.000 1.444 365 I CB -0.320 37.690 38.000 0.016 0.000 1.098 365 I HN 0.175 nan 8.210 nan 0.000 0.428 366 G N 0.148 108.951 108.800 0.005 0.000 2.623 366 G HA2 0.025 3.990 3.960 0.009 0.000 0.214 366 G HA3 0.025 3.990 3.960 0.009 0.000 0.214 366 G C 0.720 175.648 174.900 0.045 0.000 1.138 366 G CA 0.344 45.461 45.100 0.028 0.000 0.794 366 G HN 0.234 nan 8.290 nan 0.000 0.535 367 V N 1.535 121.454 119.914 0.009 0.000 2.405 367 V HA 0.219 4.344 4.120 0.009 0.000 0.253 367 V C -1.546 174.557 176.094 0.015 0.000 0.963 367 V CA -1.098 61.191 62.300 -0.020 0.000 1.003 367 V CB 1.493 33.277 31.823 -0.065 0.000 1.251 367 V HN 0.027 nan 8.190 nan 0.000 0.520 368 P HA -0.115 nan 4.420 nan 0.000 0.221 368 P C 1.114 178.426 177.300 0.020 0.000 1.150 368 P CA 1.013 64.124 63.100 0.019 0.000 0.800 368 P CB 0.542 32.247 31.700 0.009 0.000 0.787 369 Q N -0.332 119.490 119.800 0.038 0.000 2.482 369 Q HA 0.216 4.561 4.340 0.009 0.000 0.209 369 Q C 0.726 176.738 176.000 0.019 0.000 0.961 369 Q CA 0.062 55.883 55.803 0.030 0.000 0.945 369 Q CB -0.606 28.160 28.738 0.048 0.000 1.012 369 Q HN 0.200 nan 8.270 nan 0.000 0.515 370 A N 0.487 123.316 122.820 0.015 0.000 2.331 370 A HA 0.507 4.832 4.320 0.009 0.000 0.283 370 A C 0.352 177.940 177.584 0.006 0.000 1.142 370 A CA -0.506 51.536 52.037 0.009 0.000 0.812 370 A CB 0.392 19.401 19.000 0.015 0.000 1.074 370 A HN 0.335 nan 8.150 nan 0.000 0.497 371 S N 1.840 117.541 115.700 0.001 0.000 2.606 371 S HA 0.089 4.564 4.470 0.009 0.000 0.257 371 S C 0.359 174.968 174.600 0.015 0.000 1.327 371 S CA 0.274 58.477 58.200 0.004 0.000 0.984 371 S CB 0.270 63.468 63.200 -0.003 0.000 0.941 371 S HN 0.618 nan 8.310 nan 0.000 0.576 372 D N 0.012 120.423 120.400 0.018 0.000 2.149 372 D HA -0.074 4.571 4.640 0.009 0.000 0.198 372 D C 1.665 177.991 176.300 0.043 0.000 0.990 372 D CA 0.877 54.894 54.000 0.028 0.000 0.839 372 D CB -0.394 40.422 40.800 0.026 0.000 0.948 372 D HN 0.395 nan 8.370 nan 0.000 0.460 373 L N 0.608 121.855 121.223 0.041 0.000 2.044 373 L HA 0.085 4.430 4.340 0.009 0.000 0.205 373 L C 2.072 178.991 176.870 0.081 0.000 1.075 373 L CA 1.577 56.453 54.840 0.060 0.000 0.747 373 L CB -0.983 41.104 42.059 0.046 0.000 0.903 373 L HN -0.013 nan 8.230 nan 0.000 0.435 374 A N -0.283 122.567 122.820 0.050 0.000 1.908 374 A HA -0.174 4.151 4.320 0.009 0.000 0.218 374 A C 2.441 180.087 177.584 0.103 0.000 1.181 374 A CA 2.104 54.173 52.037 0.053 0.000 0.627 374 A CB -1.212 17.782 19.000 -0.009 0.000 0.818 374 A HN 0.582 nan 8.150 nan 0.000 0.445 375 A N -0.901 121.963 122.820 0.073 0.000 1.898 375 A HA -0.134 4.191 4.320 0.009 0.000 0.216 375 A C 1.996 179.639 177.584 0.099 0.000 1.181 375 A CA 1.590 53.669 52.037 0.069 0.000 0.620 375 A CB -0.459 18.559 19.000 0.031 0.000 0.819 375 A HN 0.469 nan 8.150 nan 0.000 0.442 376 E N -0.001 120.264 120.200 0.108 0.000 2.070 376 E HA -0.222 4.133 4.350 0.009 0.000 0.197 376 E C 2.358 179.066 176.600 0.181 0.000 1.004 376 E CA 1.360 57.842 56.400 0.136 0.000 0.805 376 E CB -0.439 29.333 29.700 0.121 0.000 0.744 376 E HN 0.554 nan 8.360 nan 0.000 0.451 377 A N 0.712 123.660 122.820 0.213 0.000 1.902 377 A HA -0.156 4.169 4.320 0.009 0.000 0.217 377 A C 2.606 180.301 177.584 0.186 0.000 1.181 377 A CA 1.640 53.847 52.037 0.282 0.000 0.623 377 A CB -0.711 18.591 19.000 0.503 0.000 0.818 377 A HN 0.152 nan 8.150 nan 0.000 0.443 378 V N -0.507 119.544 119.914 0.230 0.000 2.287 378 V HA -0.242 3.883 4.120 0.009 0.000 0.248 378 V C 2.527 178.785 176.094 0.273 0.000 1.053 378 V CA 2.058 64.457 62.300 0.166 0.000 1.027 378 V CB -0.895 31.041 31.823 0.187 0.000 0.646 378 V HN 0.358 nan 8.190 nan 0.000 0.447 379 V N -0.503 119.547 119.914 0.226 0.000 2.427 379 V HA -0.193 3.932 4.120 0.009 0.000 0.248 379 V C 2.325 178.649 176.094 0.383 0.000 1.051 379 V CA 1.491 63.978 62.300 0.312 0.000 1.048 379 V CB -0.358 31.585 31.823 0.201 0.000 0.666 379 V HN 0.403 nan 8.190 nan 0.000 0.456 380 L N -0.577 120.856 121.223 0.351 0.000 2.027 380 L HA -0.190 4.155 4.340 0.009 0.000 0.206 380 L C 2.485 179.578 176.870 0.372 0.000 1.074 380 L CA 2.460 57.581 54.840 0.469 0.000 0.745 380 L CB -1.179 41.061 42.059 0.300 0.000 0.898 380 L HN 0.479 nan 8.230 nan 0.000 0.433 381 H N -0.822 118.261 119.070 0.022 0.000 2.352 381 H HA -0.230 4.330 4.556 0.007 0.000 0.299 381 H C 1.783 177.029 175.328 -0.137 0.000 1.097 381 H CA 2.170 58.094 56.048 -0.206 0.000 1.311 381 H CB -0.031 29.284 29.762 -0.744 0.000 1.377 381 H HN 0.241 nan 8.280 nan 0.000 0.504 382 Y N -0.258 120.127 120.300 0.142 0.000 2.482 382 Y HA 0.144 4.700 4.550 0.010 0.000 0.270 382 Y C 0.743 176.692 175.900 0.081 0.000 1.152 382 Y CA 0.248 58.450 58.100 0.170 0.000 1.292 382 Y CB 0.304 38.966 38.460 0.336 0.000 1.070 382 Y HN 0.036 nan 8.280 nan 0.000 0.528 383 T N 1.323 115.905 114.554 0.046 0.000 2.901 383 T HA -0.041 4.315 4.350 0.009 0.000 0.301 383 T C -0.222 174.169 174.700 -0.516 0.000 1.012 383 T CA -0.268 61.599 62.100 -0.388 0.000 1.135 383 T CB 0.392 68.639 68.868 -1.034 0.000 0.936 383 T HN 0.061 nan 8.240 nan 0.000 0.539 384 D N 1.979 122.053 120.400 -0.544 0.000 2.411 384 D HA 0.102 4.748 4.640 0.009 0.000 0.225 384 D C 0.115 176.137 176.300 -0.463 0.000 1.156 384 D CA -0.802 52.856 54.000 -0.569 0.000 0.874 384 D CB 0.266 40.496 40.800 -0.949 0.000 1.034 384 D HN 0.596 nan 8.370 nan 0.000 0.502 385 W N 3.022 124.252 121.300 -0.117 0.000 2.611 385 W HA -0.006 4.658 4.660 0.007 0.000 0.251 385 W C 1.843 178.282 176.519 -0.134 0.000 1.265 385 W CA -0.275 57.012 57.345 -0.096 0.000 1.295 385 W CB -0.157 29.258 29.460 -0.075 0.000 1.129 385 W HN 0.409 nan 8.180 nan 0.000 0.630 386 L N -1.262 119.936 121.223 -0.042 0.000 2.109 386 L HA -0.105 4.240 4.340 0.009 0.000 0.207 386 L C 0.526 177.103 176.870 -0.489 0.000 1.086 386 L CA 1.462 56.145 54.840 -0.263 0.000 0.760 386 L CB -0.482 41.384 42.059 -0.323 0.000 0.910 386 L HN 0.008 nan 8.230 nan 0.000 0.437 387 H N -1.887 117.100 119.070 -0.137 0.000 2.535 387 H HA 0.180 4.741 4.556 0.008 0.000 0.232 387 H C -1.819 173.397 175.328 -0.188 0.000 1.405 387 H CA -1.223 54.741 56.048 -0.141 0.000 1.224 387 H CB 0.151 29.821 29.762 -0.152 0.000 1.763 387 H HN -0.009 nan 8.280 nan 0.000 0.529 388 P HA -0.093 nan 4.420 nan 0.000 0.233 388 P C 0.717 177.931 177.300 -0.142 0.000 1.167 388 P CA 0.996 63.958 63.100 -0.231 0.000 0.770 388 P CB 0.732 32.297 31.700 -0.225 0.000 0.837 389 E N -0.619 119.545 120.200 -0.060 0.000 2.526 389 E HA 0.029 4.385 4.350 0.009 0.000 0.208 389 E C 0.294 176.874 176.600 -0.033 0.000 0.997 389 E CA -0.054 56.324 56.400 -0.037 0.000 0.961 389 E CB 0.140 29.834 29.700 -0.010 0.000 1.030 389 E HN 0.322 nan 8.360 nan 0.000 0.483 390 D N 2.946 123.333 120.400 -0.022 0.000 2.358 390 D HA -0.002 4.643 4.640 0.009 0.000 0.258 390 D C -1.468 174.806 176.300 -0.043 0.000 1.223 390 D CA -1.524 52.465 54.000 -0.018 0.000 0.886 390 D CB 1.665 42.461 40.800 -0.005 0.000 1.120 390 D HN -0.082 nan 8.370 nan 0.000 0.482 391 P HA -0.102 nan 4.420 nan 0.000 0.219 391 P C 1.333 178.563 177.300 -0.117 0.000 1.150 391 P CA 0.782 63.820 63.100 -0.103 0.000 0.814 391 P CB 0.247 31.881 31.700 -0.109 0.000 0.787 392 T N -1.005 113.498 114.554 -0.084 0.000 2.777 392 T HA -0.167 4.188 4.350 0.009 0.000 0.266 392 T C 1.825 176.497 174.700 -0.047 0.000 1.040 392 T CA 1.681 63.738 62.100 -0.071 0.000 1.141 392 T CB -0.951 67.889 68.868 -0.046 0.000 0.868 392 T HN 0.302 nan 8.240 nan 0.000 0.444 393 H N 0.962 119.962 119.070 -0.115 0.000 2.326 393 H HA 0.095 4.655 4.556 0.008 0.000 0.301 393 H C 2.034 177.269 175.328 -0.155 0.000 1.081 393 H CA 1.302 57.280 56.048 -0.117 0.000 1.334 393 H CB -0.542 29.136 29.762 -0.140 0.000 1.385 393 H HN 0.233 nan 8.280 nan 0.000 0.504 394 L N 0.222 121.271 121.223 -0.290 0.000 2.013 394 L HA -0.229 4.117 4.340 0.009 0.000 0.212 394 L C 2.925 179.665 176.870 -0.218 0.000 1.073 394 L CA 1.779 56.352 54.840 -0.445 0.000 0.753 394 L CB -0.596 41.279 42.059 -0.307 0.000 0.890 394 L HN 0.320 nan 8.230 nan 0.000 0.432 395 R N 0.496 120.926 120.500 -0.116 0.000 2.096 395 R HA -0.211 4.135 4.340 0.009 0.000 0.240 395 R C 1.698 178.066 176.300 0.113 0.000 1.139 395 R CA 2.330 58.448 56.100 0.030 0.000 0.952 395 R CB -0.497 29.706 30.300 -0.161 0.000 0.854 395 R HN 0.391 nan 8.270 nan 0.000 0.436 396 D N 0.123 120.517 120.400 -0.010 0.000 2.183 396 D HA -0.057 4.588 4.640 0.009 0.000 0.203 396 D C 1.700 177.991 176.300 -0.013 0.000 0.969 396 D CA 1.307 55.324 54.000 0.028 0.000 0.842 396 D CB -0.175 40.634 40.800 0.014 0.000 0.957 396 D HN 0.378 nan 8.370 nan 0.000 0.484 397 A N 0.593 123.291 122.820 -0.205 0.000 1.968 397 A HA -0.117 4.208 4.320 0.009 0.000 0.217 397 A C 2.119 179.791 177.584 0.148 0.000 1.169 397 A CA 1.185 53.164 52.037 -0.097 0.000 0.638 397 A CB -0.401 18.338 19.000 -0.435 0.000 0.812 397 A HN 0.129 nan 8.150 nan 0.000 0.446 398 M N -0.226 119.518 119.600 0.239 0.000 2.117 398 M HA -0.087 4.398 4.480 0.009 0.000 0.262 398 M C 2.280 178.632 176.300 0.087 0.000 1.065 398 M CA 2.085 57.554 55.300 0.281 0.000 1.114 398 M CB -0.543 32.292 32.600 0.391 0.000 1.361 398 M HN 0.364 nan 8.290 nan 0.000 0.408 399 S N -0.363 115.395 115.700 0.097 0.000 2.356 399 S HA -0.101 4.374 4.470 0.009 0.000 0.223 399 S C 2.037 176.694 174.600 0.096 0.000 1.032 399 S CA 1.521 59.778 58.200 0.095 0.000 1.005 399 S CB -0.602 62.700 63.200 0.171 0.000 0.867 399 S HN 0.641 nan 8.310 nan 0.000 0.449 400 A N 0.893 123.787 122.820 0.123 0.000 1.883 400 A HA -0.038 4.287 4.320 0.009 0.000 0.217 400 A C 2.340 179.964 177.584 0.067 0.000 1.186 400 A CA 1.888 54.035 52.037 0.183 0.000 0.624 400 A CB -1.181 18.037 19.000 0.363 0.000 0.822 400 A HN 0.449 nan 8.150 nan 0.000 0.444 401 V N -0.394 119.407 119.914 -0.188 0.000 2.252 401 V HA -0.274 3.851 4.120 0.009 0.000 0.249 401 V C 2.576 178.592 176.094 -0.131 0.000 1.056 401 V CA 2.224 64.342 62.300 -0.304 0.000 1.022 401 V CB -0.880 30.784 31.823 -0.265 0.000 0.641 401 V HN 0.386 nan 8.190 nan 0.000 0.445 402 V N 0.619 120.501 119.914 -0.052 0.000 2.307 402 V HA -0.131 3.994 4.120 0.009 0.000 0.245 402 V C 2.635 178.689 176.094 -0.067 0.000 1.045 402 V CA 2.119 64.409 62.300 -0.016 0.000 1.024 402 V CB -1.386 30.489 31.823 0.086 0.000 0.651 402 V HN 0.609 nan 8.190 nan 0.000 0.449 403 G N -0.186 108.621 108.800 0.012 0.000 2.446 403 G HA2 -0.256 3.709 3.960 0.009 0.000 0.217 403 G HA3 -0.256 3.709 3.960 0.009 0.000 0.217 403 G C 1.241 176.097 174.900 -0.073 0.000 1.168 403 G CA 1.147 46.261 45.100 0.024 0.000 0.771 403 G HN 0.505 nan 8.290 nan 0.000 0.551 404 D N -0.269 120.086 120.400 -0.075 0.000 2.084 404 D HA -0.077 4.568 4.640 0.009 0.000 0.196 404 D C 2.121 178.119 176.300 -0.504 0.000 0.985 404 D CA 1.268 55.184 54.000 -0.140 0.000 0.826 404 D CB -0.577 40.303 40.800 0.133 0.000 0.978 404 D HN 0.379 nan 8.370 nan 0.000 0.456 405 H N 1.057 119.529 119.070 -0.997 0.000 2.352 405 H HA -0.017 4.543 4.556 0.008 0.000 0.299 405 H C 1.459 176.428 175.328 -0.599 0.000 1.097 405 H CA 1.737 57.041 56.048 -1.241 0.000 1.311 405 H CB 0.041 29.051 29.762 -1.253 0.000 1.377 405 H HN 0.023 nan 8.280 nan 0.000 0.504 406 N N -0.997 117.330 118.700 -0.621 0.000 2.415 406 N HA 0.015 4.760 4.740 0.009 0.000 0.174 406 N C 1.197 176.555 175.510 -0.254 0.000 1.048 406 N CA 1.047 53.713 53.050 -0.640 0.000 0.895 406 N CB 1.123 38.694 38.487 -1.528 0.000 1.036 406 N HN 0.268 nan 8.380 nan 0.000 0.449 407 V N -0.398 119.383 119.914 -0.221 0.000 3.449 407 V HA 0.055 4.180 4.120 0.009 0.000 0.208 407 V C 2.161 178.221 176.094 -0.056 0.000 1.269 407 V CA 0.163 62.439 62.300 -0.040 0.000 1.301 407 V CB -0.172 31.678 31.823 0.045 0.000 1.306 407 V HN -0.189 nan 8.190 nan 0.000 0.531 408 V N 0.158 120.039 119.914 -0.055 0.000 2.332 408 V HA -0.302 3.824 4.120 0.009 0.000 0.248 408 V C 2.484 178.552 176.094 -0.044 0.000 1.055 408 V CA 2.605 64.883 62.300 -0.038 0.000 1.038 408 V CB -0.800 31.029 31.823 0.010 0.000 0.651 408 V HN 0.677 nan 8.190 nan 0.000 0.450 409 c N -0.655 117.915 118.600 -0.051 0.000 2.500 409 c HA 0.027 4.602 4.570 0.009 0.000 0.279 409 c C 0.627 174.701 174.090 -0.026 0.000 1.288 409 c CA 0.806 57.137 56.329 0.004 0.000 1.710 409 c CB -1.776 40.779 42.510 0.076 0.000 2.052 409 c HN 0.440 nan 8.230 nan 0.000 0.488 410 P HA -0.123 nan 4.420 nan 0.000 0.216 410 P C 1.746 178.993 177.300 -0.089 0.000 1.154 410 P CA 1.600 64.642 63.100 -0.098 0.000 0.865 410 P CB -0.163 31.454 31.700 -0.139 0.000 0.789 411 V N -0.251 119.609 119.914 -0.090 0.000 2.295 411 V HA -0.271 3.854 4.120 0.009 0.000 0.246 411 V C 2.424 178.430 176.094 -0.147 0.000 1.049 411 V CA 2.283 64.511 62.300 -0.120 0.000 1.024 411 V CB -1.679 30.064 31.823 -0.133 0.000 0.648 411 V HN 0.113 nan 8.190 nan 0.000 0.447 412 A N -0.376 122.375 122.820 -0.116 0.000 1.858 412 A HA -0.321 4.004 4.320 0.009 0.000 0.216 412 A C 2.180 179.745 177.584 -0.032 0.000 1.190 412 A CA 2.275 54.257 52.037 -0.093 0.000 0.617 412 A CB -0.687 18.308 19.000 -0.009 0.000 0.827 412 A HN 0.554 nan 8.150 nan 0.000 0.443 413 Q N -0.393 119.404 119.800 -0.004 0.000 2.062 413 Q HA -0.227 4.118 4.340 0.009 0.000 0.209 413 Q C 1.859 177.854 176.000 -0.009 0.000 0.996 413 Q CA 2.315 58.126 55.803 0.012 0.000 0.859 413 Q CB -0.662 28.080 28.738 0.007 0.000 0.920 413 Q HN 0.539 nan 8.270 nan 0.000 0.415 414 L N 0.065 121.254 121.223 -0.055 0.000 1.989 414 L HA -0.097 4.248 4.340 0.009 0.000 0.211 414 L C 2.217 179.039 176.870 -0.080 0.000 1.071 414 L CA 2.483 57.277 54.840 -0.077 0.000 0.749 414 L CB -1.206 40.786 42.059 -0.111 0.000 0.890 414 L HN 0.311 nan 8.230 nan 0.000 0.431 415 A N -0.495 122.241 122.820 -0.139 0.000 1.917 415 A HA -0.147 4.178 4.320 0.009 0.000 0.219 415 A C 2.333 179.951 177.584 0.056 0.000 1.182 415 A CA 1.875 53.794 52.037 -0.197 0.000 0.633 415 A CB -1.730 16.880 19.000 -0.650 0.000 0.819 415 A HN 0.578 nan 8.150 nan 0.000 0.448 416 G N -0.553 108.330 108.800 0.138 0.000 2.480 416 G HA2 -0.252 3.713 3.960 0.009 0.000 0.216 416 G HA3 -0.252 3.713 3.960 0.009 0.000 0.216 416 G C 1.668 176.663 174.900 0.159 0.000 1.200 416 G CA 0.985 46.230 45.100 0.241 0.000 0.782 416 G HN 0.408 nan 8.290 nan 0.000 0.554 417 R N -0.147 120.418 120.500 0.109 0.000 2.073 417 R HA 0.035 4.380 4.340 0.009 0.000 0.234 417 R C 2.587 178.987 176.300 0.167 0.000 1.134 417 R CA 0.516 56.691 56.100 0.125 0.000 0.952 417 R CB -1.407 28.961 30.300 0.112 0.000 0.850 417 R HN 0.329 nan 8.270 nan 0.000 0.433 418 L N 0.700 121.984 121.223 0.102 0.000 1.989 418 L HA -0.137 4.208 4.340 0.009 0.000 0.211 418 L C 2.460 179.424 176.870 0.156 0.000 1.071 418 L CA 2.194 57.086 54.840 0.086 0.000 0.749 418 L CB -1.359 40.641 42.059 -0.099 0.000 0.890 418 L HN 0.204 nan 8.230 nan 0.000 0.431 419 A N -0.877 122.031 122.820 0.146 0.000 1.917 419 A HA -0.227 4.098 4.320 0.009 0.000 0.219 419 A C 2.415 180.069 177.584 0.117 0.000 1.182 419 A CA 2.182 54.304 52.037 0.141 0.000 0.633 419 A CB -1.025 18.087 19.000 0.187 0.000 0.819 419 A HN 0.447 nan 8.150 nan 0.000 0.448 420 A N -1.763 121.130 122.820 0.122 0.000 2.015 420 A HA -0.060 4.265 4.320 0.009 0.000 0.219 420 A C 1.862 179.506 177.584 0.099 0.000 1.163 420 A CA 1.652 53.746 52.037 0.095 0.000 0.646 420 A CB -0.246 18.807 19.000 0.088 0.000 0.806 420 A HN 0.476 nan 8.150 nan 0.000 0.448 421 Q N -1.153 118.740 119.800 0.154 0.000 2.247 421 Q HA 0.363 4.708 4.340 0.009 0.000 0.205 421 Q C 0.742 176.826 176.000 0.139 0.000 0.896 421 Q CA 0.654 56.542 55.803 0.141 0.000 0.950 421 Q CB 0.133 29.002 28.738 0.218 0.000 1.054 421 Q HN 0.850 nan 8.270 nan 0.000 0.482 422 G N -0.823 108.052 108.800 0.126 0.000 2.165 422 G HA2 -0.121 3.844 3.960 0.009 0.000 0.226 422 G HA3 -0.121 3.844 3.960 0.009 0.000 0.226 422 G C -0.044 174.929 174.900 0.122 0.000 1.035 422 G CA 0.003 45.162 45.100 0.098 0.000 0.744 422 G HN 0.529 nan 8.290 nan 0.000 0.501 423 A N -0.615 122.292 122.820 0.144 0.000 2.311 423 A HA 0.923 5.248 4.320 0.009 0.000 0.334 423 A C 0.340 177.975 177.584 0.085 0.000 1.139 423 A CA -0.513 51.605 52.037 0.135 0.000 0.830 423 A CB 1.025 20.111 19.000 0.143 0.000 1.234 423 A HN 0.655 nan 8.150 nan 0.000 0.483 424 R N 0.669 121.219 120.500 0.083 0.000 2.229 424 R HA 0.553 4.898 4.340 0.009 0.000 0.328 424 R C -1.566 174.754 176.300 0.033 0.000 1.009 424 R CA -0.088 56.032 56.100 0.033 0.000 0.864 424 R CB 0.803 31.152 30.300 0.082 0.000 1.085 424 R HN 0.471 nan 8.270 nan 0.000 0.453 425 V N 5.652 125.515 119.914 -0.085 0.000 2.487 425 V HA 0.381 4.506 4.120 0.009 0.000 0.298 425 V C -1.066 174.897 176.094 -0.219 0.000 1.028 425 V CA -0.804 61.471 62.300 -0.041 0.000 0.860 425 V CB 1.435 33.294 31.823 0.060 0.000 0.991 425 V HN 0.652 nan 8.190 nan 0.000 0.427 426 Y N 2.354 122.630 120.300 -0.041 0.000 2.377 426 Y HA 0.790 5.345 4.550 0.008 0.000 0.339 426 Y C 0.396 176.414 175.900 0.196 0.000 1.011 426 Y CA -0.533 57.544 58.100 -0.037 0.000 1.093 426 Y CB 2.121 40.173 38.460 -0.680 0.000 1.201 426 Y HN 0.744 nan 8.280 nan 0.000 0.455 427 A N 3.266 126.508 122.820 0.704 0.000 2.386 427 A HA 0.837 5.162 4.320 0.009 0.000 0.311 427 A C -1.799 176.162 177.584 0.629 0.000 1.068 427 A CA -0.682 51.626 52.037 0.451 0.000 0.743 427 A CB 0.850 19.942 19.000 0.153 0.000 1.258 427 A HN 0.756 nan 8.150 nan 0.000 0.429 428 Y N -0.306 120.207 120.300 0.355 0.000 2.609 428 Y HA 0.801 5.355 4.550 0.007 0.000 0.342 428 Y C -1.092 174.953 175.900 0.241 0.000 1.058 428 Y CA -1.578 56.672 58.100 0.251 0.000 1.055 428 Y CB 1.427 40.021 38.460 0.224 0.000 1.292 428 Y HN 0.682 nan 8.280 nan 0.000 0.476 429 I N 3.220 124.044 120.570 0.422 0.000 2.436 429 I HA 0.440 4.616 4.170 0.009 0.000 0.289 429 I C -1.779 174.653 176.117 0.525 0.000 1.010 429 I CA -1.019 60.498 61.300 0.361 0.000 1.098 429 I CB 1.030 39.191 38.000 0.268 0.000 1.266 429 I HN 0.749 nan 8.210 nan 0.000 0.434 430 F N 7.335 127.562 119.950 0.462 0.000 2.424 430 F HA 0.364 4.897 4.527 0.009 0.000 0.356 430 F C 0.639 176.594 175.800 0.259 0.000 1.110 430 F CA 0.172 58.403 58.000 0.385 0.000 1.161 430 F CB 0.875 40.133 39.000 0.430 0.000 1.115 430 F HN 0.555 nan 8.300 nan 0.000 0.507 431 E N 2.856 122.970 120.200 -0.143 0.000 2.601 431 E HA -0.018 4.337 4.350 0.009 0.000 0.219 431 E C -0.754 175.771 176.600 -0.126 0.000 0.964 431 E CA -0.161 56.217 56.400 -0.037 0.000 1.050 431 E CB 0.304 29.994 29.700 -0.017 0.000 1.068 431 E HN 0.547 nan 8.360 nan 0.000 0.496 432 H N 1.489 120.264 119.070 -0.491 0.000 2.562 432 H HA 0.255 4.815 4.556 0.008 0.000 0.314 432 H C -0.384 174.951 175.328 0.011 0.000 1.079 432 H CA -0.523 55.315 56.048 -0.350 0.000 1.349 432 H CB 0.586 29.959 29.762 -0.649 0.000 1.432 432 H HN -0.157 nan 8.280 nan 0.000 0.479 433 R N 4.118 124.284 120.500 -0.557 0.000 2.265 433 R HA 0.482 4.827 4.340 0.009 0.000 0.314 433 R C -0.501 175.497 176.300 -0.504 0.000 1.053 433 R CA -0.515 55.396 56.100 -0.316 0.000 0.931 433 R CB 0.398 30.595 30.300 -0.172 0.000 1.024 433 R HN 0.824 nan 8.270 nan 0.000 0.457 434 A N 3.050 125.901 122.820 0.053 0.000 2.565 434 A HA -0.012 4.313 4.320 0.009 0.000 0.237 434 A C 1.349 179.032 177.584 0.165 0.000 1.053 434 A CA 0.592 52.860 52.037 0.386 0.000 0.755 434 A CB 0.290 19.614 19.000 0.541 0.000 0.980 434 A HN 1.037 nan 8.150 nan 0.000 0.506 435 S N 1.566 117.412 115.700 0.242 0.000 2.419 435 S HA -0.168 4.307 4.470 0.009 0.000 0.233 435 S C 1.468 176.071 174.600 0.005 0.000 1.016 435 S CA 1.802 60.066 58.200 0.106 0.000 0.974 435 S CB -0.853 62.432 63.200 0.142 0.000 0.786 435 S HN 1.073 nan 8.310 nan 0.000 0.492 436 T N -0.008 114.521 114.554 -0.041 0.000 3.014 436 T HA 0.253 4.608 4.350 0.009 0.000 0.263 436 T C 0.682 175.323 174.700 -0.099 0.000 1.078 436 T CA -0.226 61.791 62.100 -0.139 0.000 1.135 436 T CB -0.777 67.908 68.868 -0.304 0.000 0.895 436 T HN 0.309 nan 8.240 nan 0.000 0.480 437 L N 3.997 125.198 121.223 -0.036 0.000 2.667 437 L HA 0.000 4.345 4.340 0.009 0.000 0.296 437 L C 1.434 178.231 176.870 -0.121 0.000 1.252 437 L CA 1.082 55.880 54.840 -0.070 0.000 0.891 437 L CB 0.375 42.396 42.059 -0.062 0.000 1.141 437 L HN 0.473 nan 8.230 nan 0.000 0.501 438 T N -0.351 114.074 114.554 -0.214 0.000 3.023 438 T HA 0.141 4.496 4.350 0.009 0.000 0.253 438 T C 0.300 174.905 174.700 -0.157 0.000 1.038 438 T CA -0.481 61.486 62.100 -0.222 0.000 0.962 438 T CB -0.327 68.315 68.868 -0.377 0.000 1.018 438 T HN 0.454 nan 8.240 nan 0.000 0.521 439 W N 3.515 124.772 121.300 -0.072 0.000 2.150 439 W HA 0.403 5.069 4.660 0.009 0.000 0.341 439 W C -1.963 174.426 176.519 -0.216 0.000 1.276 439 W CA -2.117 55.151 57.345 -0.129 0.000 1.238 439 W CB 0.173 29.456 29.460 -0.295 0.000 1.128 439 W HN -0.028 nan 8.180 nan 0.000 0.581 440 P HA -0.007 nan 4.420 nan 0.000 0.272 440 P C 0.559 177.770 177.300 -0.149 0.000 1.240 440 P CA -0.010 63.037 63.100 -0.089 0.000 0.791 440 P CB 0.824 32.488 31.700 -0.061 0.000 0.978 441 L N 0.235 121.438 121.223 -0.033 0.000 2.089 441 L HA -0.176 4.169 4.340 0.009 0.000 0.213 441 L C 2.537 179.420 176.870 0.021 0.000 1.079 441 L CA 1.782 56.622 54.840 0.000 0.000 0.758 441 L CB -0.995 41.098 42.059 0.058 0.000 0.891 441 L HN 0.617 nan 8.230 nan 0.000 0.433 442 W N -1.310 120.014 121.300 0.039 0.000 2.465 442 W HA -0.135 4.529 4.660 0.007 0.000 0.268 442 W C 1.726 178.270 176.519 0.042 0.000 1.242 442 W CA 0.540 57.911 57.345 0.043 0.000 1.248 442 W CB -0.802 28.690 29.460 0.053 0.000 1.118 442 W HN 0.197 nan 8.180 nan 0.000 0.587 443 M N 1.344 120.612 119.600 -0.553 0.000 2.619 443 M HA 0.133 4.618 4.480 0.009 0.000 0.251 443 M C 1.869 178.028 176.300 -0.235 0.000 1.106 443 M CA 1.311 56.246 55.300 -0.608 0.000 1.086 443 M CB -0.595 31.459 32.600 -0.912 0.000 1.465 443 M HN 0.178 nan 8.290 nan 0.000 0.506 444 G N 0.818 109.552 108.800 -0.110 0.000 2.629 444 G HA2 -0.302 3.663 3.960 0.009 0.000 0.313 444 G HA3 -0.302 3.663 3.960 0.009 0.000 0.313 444 G C -0.039 174.837 174.900 -0.039 0.000 1.217 444 G CA 0.089 45.171 45.100 -0.031 0.000 0.994 444 G HN 0.272 nan 8.290 nan 0.000 0.549 445 V N 3.390 123.321 119.914 0.029 0.000 2.257 445 V HA 0.468 4.593 4.120 0.009 0.000 0.269 445 V C -1.848 174.302 176.094 0.093 0.000 1.040 445 V CA -0.919 61.446 62.300 0.108 0.000 0.813 445 V CB 1.227 33.200 31.823 0.250 0.000 1.065 445 V HN 0.520 nan 8.190 nan 0.000 0.457 446 P HA 0.211 nan 4.420 nan 0.000 0.274 446 P C -0.486 176.863 177.300 0.082 0.000 1.256 446 P CA -0.293 62.758 63.100 -0.083 0.000 0.795 446 P CB 0.292 31.856 31.700 -0.227 0.000 1.038 447 H N -1.047 118.057 119.070 0.057 0.000 2.790 447 H HA 0.422 4.983 4.556 0.008 0.000 0.358 447 H C 1.436 176.709 175.328 -0.090 0.000 1.103 447 H CA 0.067 56.107 56.048 -0.013 0.000 1.426 447 H CB -0.670 29.030 29.762 -0.103 0.000 1.424 447 H HN 0.809 nan 8.280 nan 0.000 0.599 448 G N 1.118 109.972 108.800 0.090 0.000 2.234 448 G HA2 -0.325 3.640 3.960 0.009 0.000 0.235 448 G HA3 -0.325 3.640 3.960 0.009 0.000 0.235 448 G C 0.590 175.480 174.900 -0.016 0.000 0.997 448 G CA 0.322 45.386 45.100 -0.060 0.000 0.623 448 G HN 0.646 nan 8.290 nan 0.000 0.514 449 Y N 1.742 122.183 120.300 0.234 0.000 2.466 449 Y HA 0.220 4.775 4.550 0.008 0.000 0.272 449 Y C 2.436 178.448 175.900 0.187 0.000 1.169 449 Y CA 1.019 59.282 58.100 0.272 0.000 1.285 449 Y CB 0.381 39.025 38.460 0.307 0.000 1.078 449 Y HN 0.507 nan 8.280 nan 0.000 0.523 450 E N 0.537 120.667 120.200 -0.116 0.000 2.230 450 E HA -0.094 4.261 4.350 0.009 0.000 0.192 450 E C 1.701 178.211 176.600 -0.150 0.000 0.987 450 E CA 0.780 56.759 56.400 -0.702 0.000 0.841 450 E CB -0.456 28.406 29.700 -1.396 0.000 0.783 450 E HN 0.525 nan 8.360 nan 0.000 0.481 451 I N 2.783 123.353 120.570 -0.001 0.000 2.118 451 I HA -0.338 3.837 4.170 0.009 0.000 0.241 451 I C 2.775 178.903 176.117 0.017 0.000 1.070 451 I CA 2.330 63.672 61.300 0.070 0.000 1.327 451 I CB -0.620 37.487 38.000 0.178 0.000 1.034 451 I HN 0.237 nan 8.210 nan 0.000 0.405 452 E N 1.046 121.195 120.200 -0.085 0.000 2.209 452 E HA -0.243 4.112 4.350 0.009 0.000 0.196 452 E C 2.046 178.408 176.600 -0.398 0.000 0.993 452 E CA 1.496 57.740 56.400 -0.259 0.000 0.819 452 E CB -0.534 28.975 29.700 -0.319 0.000 0.745 452 E HN 0.452 nan 8.360 nan 0.000 0.477 453 F N 1.546 121.398 119.950 -0.164 0.000 2.098 453 F HA -0.055 4.479 4.527 0.011 0.000 0.294 453 F C 2.442 178.031 175.800 -0.353 0.000 1.107 453 F CA 0.687 58.525 58.000 -0.270 0.000 1.234 453 F CB -0.242 38.644 39.000 -0.189 0.000 1.002 453 F HN -0.050 nan 8.300 nan 0.000 0.472 454 I N -0.670 119.769 120.570 -0.218 0.000 2.194 454 I HA -0.327 3.848 4.170 0.009 0.000 0.246 454 I C 2.142 178.054 176.117 -0.340 0.000 1.093 454 I CA 1.926 62.940 61.300 -0.475 0.000 1.355 454 I CB -1.390 36.227 38.000 -0.638 0.000 1.046 454 I HN 0.104 nan 8.210 nan 0.000 0.413 455 F N 0.886 120.669 119.950 -0.279 0.000 2.780 455 F HA 0.201 4.734 4.527 0.009 0.000 0.299 455 F C 1.831 177.504 175.800 -0.211 0.000 1.146 455 F CA 0.790 58.671 58.000 -0.199 0.000 1.428 455 F CB -0.319 38.550 39.000 -0.220 0.000 1.115 455 F HN 0.294 nan 8.300 nan 0.000 0.583 456 G N 0.357 109.024 108.800 -0.222 0.000 2.198 456 G HA2 -0.306 3.659 3.960 0.009 0.000 0.257 456 G HA3 -0.306 3.659 3.960 0.009 0.000 0.257 456 G C 0.952 175.314 174.900 -0.898 0.000 1.042 456 G CA 0.298 45.142 45.100 -0.427 0.000 0.791 456 G HN 0.329 nan 8.290 nan 0.000 0.502 457 L N 0.115 120.829 121.223 -0.849 0.000 2.127 457 L HA 0.046 4.391 4.340 0.009 0.000 0.211 457 L C 0.366 176.671 176.870 -0.942 0.000 1.089 457 L CA 2.547 56.796 54.840 -0.986 0.000 0.757 457 L CB -0.756 40.988 42.059 -0.526 0.000 0.899 457 L HN 0.212 nan 8.230 nan 0.000 0.434 458 P HA -0.144 nan 4.420 nan 0.000 0.229 458 P C 1.411 178.447 177.300 -0.440 0.000 1.150 458 P CA 0.826 63.356 63.100 -0.951 0.000 0.765 458 P CB 0.057 31.202 31.700 -0.926 0.000 0.783 459 L N -1.259 119.647 121.223 -0.528 0.000 2.478 459 L HA 0.003 4.348 4.340 0.009 0.000 0.223 459 L C 0.874 177.650 176.870 -0.158 0.000 1.140 459 L CA 1.065 55.724 54.840 -0.301 0.000 0.842 459 L CB -1.014 40.880 42.059 -0.275 0.000 0.953 459 L HN -0.051 nan 8.230 nan 0.000 0.452 460 D N 0.443 120.727 120.400 -0.194 0.000 2.339 460 D HA 0.094 4.739 4.640 0.009 0.000 0.241 460 D C -1.574 174.741 176.300 0.025 0.000 1.183 460 D CA -2.140 51.872 54.000 0.019 0.000 0.859 460 D CB 1.498 42.357 40.800 0.098 0.000 1.067 460 D HN 0.002 nan 8.370 nan 0.000 0.484 461 P HA -0.100 nan 4.420 nan 0.000 0.226 461 P C 0.956 178.273 177.300 0.030 0.000 1.153 461 P CA 0.512 63.631 63.100 0.031 0.000 0.777 461 P CB 0.044 31.759 31.700 0.025 0.000 0.794 462 S N -1.205 114.512 115.700 0.029 0.000 2.660 462 S HA 0.062 4.537 4.470 0.009 0.000 0.223 462 S C 1.468 176.070 174.600 0.004 0.000 0.963 462 S CA 0.115 58.323 58.200 0.013 0.000 0.932 462 S CB -1.220 61.987 63.200 0.012 0.000 0.775 462 S HN 0.113 nan 8.310 nan 0.000 0.531 463 L N 0.174 121.413 121.223 0.028 0.000 2.693 463 L HA 0.343 4.688 4.340 0.009 0.000 0.235 463 L C 0.372 177.166 176.870 -0.126 0.000 1.127 463 L CA -0.138 54.704 54.840 0.003 0.000 0.914 463 L CB -0.244 41.892 42.059 0.128 0.000 1.193 463 L HN 0.210 nan 8.230 nan 0.000 0.502 464 N N -2.165 116.494 118.700 -0.068 0.000 2.984 464 N HA -0.221 4.524 4.740 0.009 0.000 0.227 464 N C -0.282 175.146 175.510 -0.136 0.000 0.903 464 N CA 0.877 53.853 53.050 -0.122 0.000 0.995 464 N CB -1.465 36.913 38.487 -0.182 0.000 1.065 464 N HN 0.228 nan 8.380 nan 0.000 0.585 465 Y N 1.368 121.657 120.300 -0.018 0.000 2.457 465 Y HA 0.139 4.694 4.550 0.008 0.000 0.341 465 Y C 1.941 177.869 175.900 0.045 0.000 1.240 465 Y CA 0.472 58.589 58.100 0.029 0.000 1.437 465 Y CB 0.329 38.796 38.460 0.012 0.000 1.328 465 Y HN 0.081 nan 8.280 nan 0.000 0.588 466 T N -2.298 112.402 114.554 0.242 0.000 2.813 466 T HA 0.034 4.389 4.350 0.009 0.000 0.297 466 T C 1.170 175.953 174.700 0.139 0.000 1.036 466 T CA -0.291 61.901 62.100 0.153 0.000 1.044 466 T CB 0.888 69.837 68.868 0.135 0.000 0.993 466 T HN 0.741 nan 8.240 nan 0.000 0.535 467 T N 1.672 116.277 114.554 0.085 0.000 2.720 467 T HA -0.105 4.250 4.350 0.009 0.000 0.268 467 T C 1.749 176.485 174.700 0.060 0.000 1.037 467 T CA 2.011 64.148 62.100 0.061 0.000 1.144 467 T CB -0.419 68.472 68.868 0.038 0.000 0.864 467 T HN 0.816 nan 8.240 nan 0.000 0.444 468 E N 1.229 121.461 120.200 0.052 0.000 2.150 468 E HA -0.079 4.276 4.350 0.009 0.000 0.193 468 E C 2.150 178.789 176.600 0.066 0.000 0.985 468 E CA 0.840 57.255 56.400 0.026 0.000 0.814 468 E CB -0.195 29.488 29.700 -0.028 0.000 0.752 468 E HN 0.561 nan 8.360 nan 0.000 0.466 469 E N 0.585 120.866 120.200 0.136 0.000 2.106 469 E HA -0.155 4.200 4.350 0.009 0.000 0.192 469 E C 2.104 178.836 176.600 0.220 0.000 0.984 469 E CA 0.596 57.174 56.400 0.296 0.000 0.806 469 E CB -0.032 29.973 29.700 0.510 0.000 0.750 469 E HN 0.118 nan 8.360 nan 0.000 0.458 470 R N 0.734 121.297 120.500 0.105 0.000 2.081 470 R HA -0.135 4.210 4.340 0.009 0.000 0.235 470 R C 2.183 178.492 176.300 0.015 0.000 1.131 470 R CA 1.141 57.246 56.100 0.008 0.000 0.960 470 R CB -0.141 30.159 30.300 0.000 0.000 0.856 470 R HN 0.142 nan 8.270 nan 0.000 0.436 471 I N 0.198 120.799 120.570 0.052 0.000 2.315 471 I HA -0.246 3.929 4.170 0.009 0.000 0.248 471 I C 2.114 178.284 176.117 0.088 0.000 1.117 471 I CA 0.793 62.121 61.300 0.046 0.000 1.404 471 I CB -0.295 37.729 38.000 0.040 0.000 1.071 471 I HN 0.161 nan 8.210 nan 0.000 0.419 472 F N 1.920 121.832 119.950 -0.063 0.000 2.134 472 F HA -0.220 4.312 4.527 0.008 0.000 0.299 472 F C 2.408 178.195 175.800 -0.021 0.000 1.097 472 F CA 1.225 59.174 58.000 -0.085 0.000 1.264 472 F CB -0.731 38.150 39.000 -0.198 0.000 1.001 472 F HN 0.032 nan 8.300 nan 0.000 0.479 473 A N 0.208 122.968 122.820 -0.100 0.000 1.883 473 A HA -0.249 4.076 4.320 0.009 0.000 0.217 473 A C 2.165 179.627 177.584 -0.203 0.000 1.186 473 A CA 1.872 53.790 52.037 -0.198 0.000 0.624 473 A CB -0.940 17.952 19.000 -0.179 0.000 0.822 473 A HN 0.604 nan 8.150 nan 0.000 0.444 474 Q N -0.816 118.905 119.800 -0.133 0.000 2.096 474 Q HA -0.195 4.150 4.340 0.009 0.000 0.204 474 Q C 2.380 178.292 176.000 -0.146 0.000 0.982 474 Q CA 1.584 57.318 55.803 -0.114 0.000 0.850 474 Q CB -0.215 28.480 28.738 -0.072 0.000 0.901 474 Q HN 0.615 nan 8.270 nan 0.000 0.422 475 R N 0.354 120.763 120.500 -0.152 0.000 2.083 475 R HA -0.131 4.214 4.340 0.009 0.000 0.237 475 R C 2.325 178.405 176.300 -0.368 0.000 1.137 475 R CA 1.294 57.234 56.100 -0.267 0.000 0.951 475 R CB -0.311 29.924 30.300 -0.108 0.000 0.851 475 R HN 0.250 nan 8.270 nan 0.000 0.434 476 L N -0.066 121.032 121.223 -0.208 0.000 2.093 476 L HA -0.151 4.194 4.340 0.009 0.000 0.208 476 L C 2.489 179.352 176.870 -0.013 0.000 1.085 476 L CA 1.202 56.014 54.840 -0.046 0.000 0.755 476 L CB -0.332 41.531 42.059 -0.326 0.000 0.904 476 L HN 0.239 nan 8.230 nan 0.000 0.435 477 M N -0.669 118.856 119.600 -0.125 0.000 2.213 477 M HA -0.180 4.305 4.480 0.009 0.000 0.263 477 M C 2.241 178.553 176.300 0.019 0.000 1.062 477 M CA 1.565 56.819 55.300 -0.076 0.000 1.105 477 M CB -0.309 32.226 32.600 -0.108 0.000 1.385 477 M HN 0.112 nan 8.290 nan 0.000 0.417 478 K N -0.258 120.116 120.400 -0.044 0.000 2.057 478 K HA -0.121 4.204 4.320 0.009 0.000 0.206 478 K C 1.919 178.569 176.600 0.083 0.000 1.050 478 K CA 1.442 57.704 56.287 -0.042 0.000 0.935 478 K CB -0.251 32.156 32.500 -0.154 0.000 0.715 478 K HN 0.280 nan 8.250 nan 0.000 0.439 479 Y N 0.131 120.569 120.300 0.230 0.000 2.097 479 Y HA -0.243 4.313 4.550 0.011 0.000 0.282 479 Y C 2.366 178.400 175.900 0.223 0.000 1.152 479 Y CA 0.871 59.137 58.100 0.276 0.000 1.136 479 Y CB -0.850 37.925 38.460 0.525 0.000 0.975 479 Y HN 0.220 nan 8.280 nan 0.000 0.498 480 W N 0.640 122.018 121.300 0.130 0.000 2.333 480 W HA -0.248 4.417 4.660 0.007 0.000 0.316 480 W C 2.557 179.074 176.519 -0.003 0.000 1.215 480 W CA 2.381 59.737 57.345 0.018 0.000 1.278 480 W CB -0.780 28.619 29.460 -0.101 0.000 1.154 480 W HN 0.228 nan 8.180 nan 0.000 0.486 481 T N -1.952 112.703 114.554 0.169 0.000 2.951 481 T HA -0.142 4.213 4.350 0.009 0.000 0.268 481 T C 1.361 176.081 174.700 0.034 0.000 1.073 481 T CA 1.266 63.397 62.100 0.052 0.000 1.134 481 T CB -0.565 68.316 68.868 0.023 0.000 0.884 481 T HN -0.068 nan 8.240 nan 0.000 0.479 482 N N 1.023 119.761 118.700 0.062 0.000 2.084 482 N HA 0.011 4.756 4.740 0.009 0.000 0.190 482 N C 1.338 176.835 175.510 -0.023 0.000 1.030 482 N CA 0.978 54.042 53.050 0.023 0.000 0.849 482 N CB -0.751 37.767 38.487 0.051 0.000 1.012 482 N HN 0.473 nan 8.380 nan 0.000 0.423 483 F N 1.663 121.514 119.950 -0.165 0.000 2.095 483 F HA -0.126 4.406 4.527 0.008 0.000 0.298 483 F C 2.166 177.870 175.800 -0.160 0.000 1.104 483 F CA 1.474 59.322 58.000 -0.252 0.000 1.232 483 F CB -0.472 38.282 39.000 -0.411 0.000 0.987 483 F HN 0.046 nan 8.300 nan 0.000 0.475 484 A N 0.519 123.264 122.820 -0.125 0.000 1.902 484 A HA -0.192 4.133 4.320 0.009 0.000 0.217 484 A C 2.364 179.841 177.584 -0.177 0.000 1.181 484 A CA 1.756 53.698 52.037 -0.159 0.000 0.623 484 A CB -0.744 18.227 19.000 -0.050 0.000 0.818 484 A HN 0.459 nan 8.150 nan 0.000 0.443 485 R N -1.202 119.221 120.500 -0.128 0.000 2.073 485 R HA -0.099 4.246 4.340 0.009 0.000 0.234 485 R C 2.161 178.374 176.300 -0.146 0.000 1.134 485 R CA 1.987 58.025 56.100 -0.104 0.000 0.952 485 R CB -0.273 29.991 30.300 -0.060 0.000 0.850 485 R HN 0.738 nan 8.270 nan 0.000 0.433 486 T N -5.493 108.943 114.554 -0.196 0.000 2.975 486 T HA 0.233 4.588 4.350 0.009 0.000 0.261 486 T C 1.111 175.663 174.700 -0.248 0.000 0.984 486 T CA 0.464 62.458 62.100 -0.177 0.000 0.911 486 T CB 1.359 70.160 68.868 -0.110 0.000 1.127 486 T HN 0.356 nan 8.240 nan 0.000 0.514 487 G N 1.208 109.717 108.800 -0.485 0.000 2.136 487 G HA2 -0.142 3.823 3.960 0.009 0.000 0.242 487 G HA3 -0.142 3.823 3.960 0.009 0.000 0.242 487 G C -0.394 174.358 174.900 -0.246 0.000 0.989 487 G CA 0.169 44.909 45.100 -0.601 0.000 0.682 487 G HN 0.805 nan 8.290 nan 0.000 0.522 488 D N -0.728 119.530 120.400 -0.237 0.000 2.763 488 D HA 0.424 5.069 4.640 0.009 0.000 0.235 488 D C -1.729 174.403 176.300 -0.280 0.000 1.334 488 D CA -1.457 52.381 54.000 -0.270 0.000 0.950 488 D CB 2.073 42.813 40.800 -0.101 0.000 1.433 488 D HN -0.019 nan 8.370 nan 0.000 0.580 489 P HA -0.001 nan 4.420 nan 0.000 0.237 489 P C 0.060 177.385 177.300 0.042 0.000 1.178 489 P CA 0.066 63.000 63.100 -0.276 0.000 0.766 489 P CB 0.393 31.624 31.700 -0.781 0.000 0.876 490 N N 1.387 120.070 118.700 -0.029 0.000 2.525 490 N HA 0.026 4.771 4.740 0.009 0.000 0.271 490 N C 0.012 175.583 175.510 0.103 0.000 1.194 490 N CA 0.266 53.393 53.050 0.128 0.000 0.964 490 N CB 0.565 39.120 38.487 0.113 0.000 1.126 490 N HN 0.016 nan 8.380 nan 0.000 0.452 491 D N 2.330 122.807 120.400 0.127 0.000 2.336 491 D HA 0.087 4.732 4.640 0.009 0.000 0.249 491 D C -1.252 175.085 176.300 0.062 0.000 1.213 491 D CA -1.556 52.490 54.000 0.076 0.000 0.870 491 D CB 1.288 42.127 40.800 0.066 0.000 1.076 491 D HN 0.299 nan 8.370 nan 0.000 0.483 492 P HA -0.153 nan 4.420 nan 0.000 0.216 492 P C 0.876 178.198 177.300 0.037 0.000 1.150 492 P CA 1.071 64.192 63.100 0.036 0.000 0.837 492 P CB 0.683 32.396 31.700 0.021 0.000 0.786 493 R N 0.233 120.753 120.500 0.034 0.000 2.043 493 R HA 0.043 4.388 4.340 0.009 0.000 0.221 493 R C 1.639 177.963 176.300 0.040 0.000 1.196 493 R CA 0.535 56.654 56.100 0.032 0.000 0.949 493 R CB -1.732 28.583 30.300 0.025 0.000 0.838 493 R HN 0.062 nan 8.270 nan 0.000 0.446 494 D N 1.868 122.293 120.400 0.042 0.000 2.985 494 D HA -0.085 4.560 4.640 0.009 0.000 0.253 494 D C 0.154 176.492 176.300 0.063 0.000 1.282 494 D CA 0.385 54.415 54.000 0.049 0.000 1.560 494 D CB 0.084 40.914 40.800 0.049 0.000 1.171 494 D HN 0.384 nan 8.370 nan 0.000 0.537 495 S N 0.912 116.646 115.700 0.057 0.000 2.562 495 S HA -0.056 4.419 4.470 0.009 0.000 0.221 495 S C 2.097 176.734 174.600 0.061 0.000 0.975 495 S CA 0.606 58.844 58.200 0.063 0.000 0.918 495 S CB 0.305 63.537 63.200 0.053 0.000 0.772 495 S HN 0.489 nan 8.310 nan 0.000 0.531 496 K N 2.312 122.744 120.400 0.054 0.000 1.977 496 K HA 0.054 4.379 4.320 0.009 0.000 0.218 496 K C 1.317 177.953 176.600 0.060 0.000 1.051 496 K CA 1.698 58.015 56.287 0.050 0.000 0.953 496 K CB -1.704 30.821 32.500 0.041 0.000 0.727 496 K HN 0.527 nan 8.250 nan 0.000 0.445 497 S N 2.238 117.981 115.700 0.073 0.000 2.554 497 S HA 0.233 4.708 4.470 0.009 0.000 0.290 497 S C -2.231 172.435 174.600 0.110 0.000 1.309 497 S CA -0.641 57.616 58.200 0.094 0.000 1.047 497 S CB 0.627 63.899 63.200 0.120 0.000 0.828 497 S HN 0.480 nan 8.310 nan 0.000 0.509 498 P HA 0.161 nan 4.420 nan 0.000 0.271 498 P C -0.566 176.826 177.300 0.153 0.000 1.216 498 P CA -0.391 62.772 63.100 0.105 0.000 0.776 498 P CB 0.403 32.149 31.700 0.076 0.000 0.881 499 Q N 1.204 121.097 119.800 0.155 0.000 2.293 499 Q HA 0.119 4.464 4.340 0.009 0.000 0.251 499 Q C -0.499 175.669 176.000 0.281 0.000 0.930 499 Q CA 0.082 56.014 55.803 0.214 0.000 0.893 499 Q CB 0.690 29.537 28.738 0.183 0.000 1.215 499 Q HN 0.559 nan 8.270 nan 0.000 0.425 500 W N 6.606 127.974 121.300 0.115 0.000 2.387 500 W HA 0.287 4.952 4.660 0.007 0.000 0.310 500 W C -2.463 174.208 176.519 0.253 0.000 1.181 500 W CA -2.439 54.987 57.345 0.135 0.000 1.333 500 W CB 0.346 29.834 29.460 0.047 0.000 1.286 500 W HN 0.398 nan 8.180 nan 0.000 0.455 501 P HA 0.294 nan 4.420 nan 0.000 0.279 501 P C -2.615 174.872 177.300 0.312 0.000 1.252 501 P CA -1.832 61.489 63.100 0.369 0.000 0.811 501 P CB 0.731 32.561 31.700 0.217 0.000 1.035 502 P HA 0.005 nan 4.420 nan 0.000 0.267 502 P C -0.555 176.732 177.300 -0.022 0.000 1.200 502 P CA 0.297 63.181 63.100 -0.361 0.000 0.772 502 P CB -0.016 31.463 31.700 -0.367 0.000 0.855 503 Y N 2.962 123.209 120.300 -0.089 0.000 2.402 503 Y HA 0.327 4.885 4.550 0.013 0.000 0.333 503 Y C 0.346 176.241 175.900 -0.008 0.000 1.076 503 Y CA 0.582 58.699 58.100 0.029 0.000 1.299 503 Y CB 0.267 38.770 38.460 0.073 0.000 1.197 503 Y HN 0.384 nan 8.280 nan 0.000 0.517 504 T N 0.450 114.706 114.554 -0.497 0.000 2.906 504 T HA 0.243 4.598 4.350 0.009 0.000 0.295 504 T C 0.878 175.305 174.700 -0.456 0.000 1.061 504 T CA -0.217 61.691 62.100 -0.319 0.000 1.000 504 T CB 1.328 70.099 68.868 -0.161 0.000 1.103 504 T HN 0.669 nan 8.240 nan 0.000 0.486 505 T N -0.211 114.224 114.554 -0.200 0.000 2.788 505 T HA -0.035 4.320 4.350 0.009 0.000 0.268 505 T C 2.322 176.958 174.700 -0.106 0.000 1.044 505 T CA 1.055 63.083 62.100 -0.120 0.000 1.139 505 T CB -0.891 67.972 68.868 -0.009 0.000 0.867 505 T HN 0.882 nan 8.240 nan 0.000 0.454 506 A N 1.973 124.741 122.820 -0.088 0.000 1.865 506 A HA 0.328 4.653 4.320 0.009 0.000 0.217 506 A C 2.665 180.206 177.584 -0.072 0.000 1.191 506 A CA 2.096 54.098 52.037 -0.058 0.000 0.623 506 A CB -1.204 17.773 19.000 -0.039 0.000 0.826 506 A HN 0.840 nan 8.150 nan 0.000 0.444 507 A N -2.427 120.324 122.820 -0.115 0.000 2.229 507 A HA 0.338 4.663 4.320 0.009 0.000 0.211 507 A C 0.786 178.298 177.584 -0.120 0.000 1.193 507 A CA 0.724 52.708 52.037 -0.087 0.000 0.879 507 A CB -0.146 18.821 19.000 -0.055 0.000 0.911 507 A HN 0.546 nan 8.150 nan 0.000 0.492 508 Q N 0.185 119.787 119.800 -0.329 0.000 2.423 508 Q HA -0.232 4.114 4.340 0.009 0.000 0.332 508 Q C -0.626 175.407 176.000 0.054 0.000 1.355 508 Q CA 0.718 56.256 55.803 -0.442 0.000 0.947 508 Q CB -1.717 26.992 28.738 -0.049 0.000 1.189 508 Q HN 0.815 nan 8.270 nan 0.000 0.418 509 Q N 0.404 120.235 119.800 0.053 0.000 2.230 509 Q HA 0.610 4.955 4.340 0.009 0.000 0.248 509 Q C -0.509 175.781 176.000 0.485 0.000 0.915 509 Q CA -0.414 55.518 55.803 0.215 0.000 0.900 509 Q CB 0.887 29.689 28.738 0.107 0.000 1.229 509 Q HN 0.381 nan 8.270 nan 0.000 0.439 510 Y N -1.920 118.517 120.300 0.228 0.000 2.638 510 Y HA 0.706 5.266 4.550 0.017 0.000 0.335 510 Y C -1.236 174.661 175.900 -0.004 0.000 1.155 510 Y CA -1.488 56.732 58.100 0.199 0.000 1.046 510 Y CB 0.509 39.085 38.460 0.193 0.000 1.303 510 Y HN 0.369 nan 8.280 nan 0.000 0.460 511 V N -0.306 119.520 119.914 -0.148 0.000 2.881 511 V HA 0.844 4.969 4.120 0.009 0.000 0.316 511 V C -0.139 175.866 176.094 -0.149 0.000 1.070 511 V CA -0.544 61.529 62.300 -0.380 0.000 0.976 511 V CB 1.319 32.665 31.823 -0.795 0.000 1.038 511 V HN 1.191 nan 8.190 nan 0.000 0.446 512 S N 3.284 118.896 115.700 -0.147 0.000 2.513 512 S HA 0.683 5.158 4.470 0.009 0.000 0.276 512 S C -0.484 174.078 174.600 -0.064 0.000 1.254 512 S CA -0.649 57.532 58.200 -0.031 0.000 1.053 512 S CB 0.477 63.652 63.200 -0.042 0.000 0.958 512 S HN 0.743 nan 8.310 nan 0.000 0.491 513 L N 4.244 125.474 121.223 0.011 0.000 2.277 513 L HA 0.517 4.862 4.340 0.009 0.000 0.284 513 L C -0.225 176.533 176.870 -0.186 0.000 1.028 513 L CA -0.444 54.415 54.840 0.031 0.000 0.835 513 L CB 0.028 42.202 42.059 0.191 0.000 1.215 513 L HN 0.932 nan 8.230 nan 0.000 0.425 514 N N 2.171 120.678 118.700 -0.322 0.000 3.449 514 N HA 0.358 5.103 4.740 0.009 0.000 0.312 514 N C 0.170 175.093 175.510 -0.978 0.000 1.582 514 N CA -0.960 51.655 53.050 -0.725 0.000 0.850 514 N CB 0.669 38.926 38.487 -0.382 0.000 1.822 514 N HN 0.172 nan 8.380 nan 0.000 0.577 515 L N -0.794 119.921 121.223 -0.847 0.000 2.217 515 L HA 0.148 4.493 4.340 0.009 0.000 0.211 515 L C 0.542 177.218 176.870 -0.324 0.000 1.107 515 L CA 0.817 55.255 54.840 -0.669 0.000 0.783 515 L CB -0.428 41.336 42.059 -0.491 0.000 0.919 515 L HN 0.375 nan 8.230 nan 0.000 0.442 516 K N 0.448 120.703 120.400 -0.241 0.000 2.258 516 K HA 0.167 4.492 4.320 0.009 0.000 0.264 516 K C -2.139 174.407 176.600 -0.090 0.000 1.007 516 K CA -1.727 54.482 56.287 -0.131 0.000 0.941 516 K CB -0.005 32.433 32.500 -0.103 0.000 0.966 516 K HN -0.190 nan 8.250 nan 0.000 0.480 517 P HA -0.070 nan 4.420 nan 0.000 0.269 517 P C -0.334 176.969 177.300 0.005 0.000 1.217 517 P CA -0.081 63.027 63.100 0.013 0.000 0.783 517 P CB 0.394 32.105 31.700 0.018 0.000 0.898 518 L N 1.652 122.902 121.223 0.044 0.000 2.667 518 L HA -0.089 4.256 4.340 0.009 0.000 0.278 518 L C 1.089 177.933 176.870 -0.044 0.000 1.217 518 L CA 1.041 55.873 54.840 -0.013 0.000 0.935 518 L CB -0.413 41.653 42.059 0.012 0.000 1.193 518 L HN 0.525 nan 8.230 nan 0.000 0.493 519 E N 3.325 123.472 120.200 -0.088 0.000 2.195 519 E HA 0.468 4.823 4.350 0.009 0.000 0.271 519 E C -1.416 175.095 176.600 -0.148 0.000 0.923 519 E CA -0.791 55.555 56.400 -0.091 0.000 0.790 519 E CB 2.129 31.781 29.700 -0.080 0.000 1.155 519 E HN 0.299 nan 8.360 nan 0.000 0.402 520 V N 4.914 124.750 119.914 -0.131 0.000 2.394 520 V HA 0.481 4.606 4.120 0.009 0.000 0.282 520 V C 0.071 176.031 176.094 -0.223 0.000 1.031 520 V CA -0.568 61.629 62.300 -0.172 0.000 0.881 520 V CB 1.148 32.925 31.823 -0.077 0.000 0.982 520 V HN 0.666 nan 8.190 nan 0.000 0.451 521 R N 4.345 124.589 120.500 -0.427 0.000 2.892 521 R HA 0.757 5.102 4.340 0.009 0.000 0.265 521 R C -1.018 175.065 176.300 -0.362 0.000 1.025 521 R CA -1.058 54.773 56.100 -0.448 0.000 0.982 521 R CB 2.499 32.419 30.300 -0.633 0.000 1.185 521 R HN 0.586 nan 8.270 nan 0.000 0.484 522 R N 0.056 120.514 120.500 -0.071 0.000 2.670 522 R HA 0.527 4.872 4.340 0.009 0.000 0.289 522 R C -0.404 176.064 176.300 0.281 0.000 0.965 522 R CA -0.730 55.438 56.100 0.114 0.000 0.899 522 R CB 2.132 32.467 30.300 0.059 0.000 1.173 522 R HN 0.902 nan 8.270 nan 0.000 0.456 523 G N 1.815 110.825 108.800 0.350 0.000 3.277 523 G HA2 -0.212 3.753 3.960 0.009 0.000 0.684 523 G HA3 -0.212 3.753 3.960 0.009 0.000 0.684 523 G C -1.056 174.053 174.900 0.348 0.000 0.923 523 G CA -0.878 44.409 45.100 0.312 0.000 0.779 523 G HN 0.330 nan 8.290 nan 0.000 0.508 524 L N 4.505 125.842 121.223 0.191 0.000 2.288 524 L HA 0.516 4.861 4.340 0.009 0.000 0.283 524 L C 1.527 178.432 176.870 0.057 0.000 1.072 524 L CA -0.569 54.244 54.840 -0.045 0.000 0.862 524 L CB 0.175 42.110 42.059 -0.207 0.000 1.245 524 L HN 0.733 nan 8.230 nan 0.000 0.432 525 R N 3.012 123.574 120.500 0.103 0.000 3.184 525 R HA -0.271 4.074 4.340 0.009 0.000 0.242 525 R C 1.269 177.670 176.300 0.169 0.000 0.907 525 R CA 0.702 56.893 56.100 0.152 0.000 0.618 525 R CB -1.935 28.467 30.300 0.170 0.000 1.016 525 R HN 0.747 nan 8.270 nan 0.000 0.469 526 A N 0.652 123.569 122.820 0.162 0.000 1.877 526 A HA -0.232 4.093 4.320 0.009 0.000 0.216 526 A C 2.072 179.753 177.584 0.161 0.000 1.186 526 A CA 1.158 53.290 52.037 0.159 0.000 0.620 526 A CB -0.097 18.991 19.000 0.147 0.000 0.822 526 A HN 0.388 nan 8.150 nan 0.000 0.443 527 Q N -0.495 119.397 119.800 0.154 0.000 2.020 527 Q HA -0.122 4.223 4.340 0.009 0.000 0.202 527 Q C 2.297 178.420 176.000 0.205 0.000 0.982 527 Q CA 2.204 58.101 55.803 0.157 0.000 0.838 527 Q CB -1.302 27.514 28.738 0.130 0.000 0.899 527 Q HN 0.650 nan 8.270 nan 0.000 0.423 528 T N 0.483 115.180 114.554 0.238 0.000 2.759 528 T HA -0.143 4.212 4.350 0.009 0.000 0.269 528 T C 2.003 176.906 174.700 0.339 0.000 1.042 528 T CA 1.314 63.575 62.100 0.269 0.000 1.140 528 T CB -0.326 68.746 68.868 0.341 0.000 0.864 528 T HN 0.322 nan 8.240 nan 0.000 0.455 529 c N 1.464 120.260 118.600 0.326 0.000 2.448 529 c HA 0.274 4.849 4.570 0.009 0.000 0.280 529 c C 3.110 177.362 174.090 0.270 0.000 1.398 529 c CA -0.110 56.429 56.329 0.350 0.000 1.774 529 c CB -1.424 41.233 42.510 0.246 0.000 1.888 529 c HN 0.643 nan 8.230 nan 0.000 0.519 530 A N 0.229 123.176 122.820 0.212 0.000 1.933 530 A HA -0.189 4.136 4.320 0.009 0.000 0.218 530 A C 1.836 179.523 177.584 0.171 0.000 1.175 530 A CA 1.538 53.677 52.037 0.170 0.000 0.628 530 A CB -0.740 18.346 19.000 0.144 0.000 0.814 530 A HN 0.538 nan 8.150 nan 0.000 0.444 531 F N -0.696 119.245 119.950 -0.015 0.000 2.026 531 F HA -0.189 4.342 4.527 0.007 0.000 0.296 531 F C 2.022 177.767 175.800 -0.091 0.000 1.133 531 F CA 1.926 59.835 58.000 -0.152 0.000 1.188 531 F CB -0.708 37.939 39.000 -0.589 0.000 0.968 531 F HN 0.383 nan 8.300 nan 0.000 0.476 532 W N 0.568 121.872 121.300 0.006 0.000 2.358 532 W HA -0.184 4.479 4.660 0.006 0.000 0.303 532 W C 2.255 178.732 176.519 -0.070 0.000 1.208 532 W CA 1.164 58.471 57.345 -0.065 0.000 1.274 532 W CB -0.638 28.909 29.460 0.144 0.000 1.138 532 W HN 0.015 nan 8.180 nan 0.000 0.515 533 N N -0.583 118.249 118.700 0.219 0.000 2.368 533 N HA 0.026 4.771 4.740 0.009 0.000 0.176 533 N C 1.541 177.091 175.510 0.066 0.000 1.021 533 N CA 0.992 54.122 53.050 0.133 0.000 0.888 533 N CB -0.263 38.304 38.487 0.133 0.000 0.995 533 N HN 0.216 nan 8.380 nan 0.000 0.437 534 R N -1.131 119.408 120.500 0.065 0.000 2.119 534 R HA 0.229 4.574 4.340 0.009 0.000 0.202 534 R C 1.567 177.894 176.300 0.044 0.000 1.114 534 R CA 0.079 56.215 56.100 0.060 0.000 1.089 534 R CB -0.353 30.003 30.300 0.095 0.000 1.000 534 R HN 0.043 nan 8.270 nan 0.000 0.487 535 F N 1.840 121.713 119.950 -0.128 0.000 2.118 535 F HA -0.008 4.524 4.527 0.009 0.000 0.293 535 F C 1.980 177.622 175.800 -0.264 0.000 1.102 535 F CA 1.045 58.940 58.000 -0.176 0.000 1.247 535 F CB -0.225 38.679 39.000 -0.160 0.000 1.017 535 F HN -0.108 nan 8.300 nan 0.000 0.475 536 L N 1.099 121.992 121.223 -0.550 0.000 2.079 536 L HA -0.115 4.230 4.340 0.009 0.000 0.210 536 L C -0.614 176.017 176.870 -0.398 0.000 1.081 536 L CA 1.997 56.456 54.840 -0.635 0.000 0.752 536 L CB -2.185 39.484 42.059 -0.650 0.000 0.896 536 L HN 0.080 nan 8.230 nan 0.000 0.433 537 P HA -0.211 nan 4.420 nan 0.000 0.214 537 P C 1.498 178.668 177.300 -0.218 0.000 1.163 537 P CA 1.673 64.673 63.100 -0.167 0.000 0.889 537 P CB -0.093 31.548 31.700 -0.099 0.000 0.790 538 K N -0.906 119.322 120.400 -0.286 0.000 2.063 538 K HA -0.129 4.196 4.320 0.009 0.000 0.208 538 K C 1.905 178.308 176.600 -0.328 0.000 1.048 538 K CA 1.032 57.156 56.287 -0.272 0.000 0.928 538 K CB -1.141 31.216 32.500 -0.238 0.000 0.713 538 K HN 0.105 nan 8.250 nan 0.000 0.442 539 L N 1.168 122.063 121.223 -0.547 0.000 2.549 539 L HA -0.082 4.263 4.340 0.009 0.000 0.230 539 L C 0.907 177.641 176.870 -0.227 0.000 1.162 539 L CA 1.129 55.716 54.840 -0.421 0.000 0.834 539 L CB -0.129 41.584 42.059 -0.576 0.000 0.947 539 L HN 0.034 nan 8.230 nan 0.000 0.452 540 L N -1.274 119.828 121.223 -0.200 0.000 2.984 540 L HA 0.288 4.634 4.340 0.009 0.000 0.246 540 L C 0.880 177.695 176.870 -0.092 0.000 1.268 540 L CA 0.419 55.189 54.840 -0.117 0.000 1.054 540 L CB -0.750 41.253 42.059 -0.093 0.000 1.393 540 L HN 0.085 nan 8.230 nan 0.000 0.532 541 S N -0.242 115.399 115.700 -0.098 0.000 2.751 541 S HA 0.776 5.252 4.470 0.009 0.000 0.247 541 S C 0.317 174.884 174.600 -0.056 0.000 1.103 541 S CA 0.094 58.253 58.200 -0.067 0.000 1.090 541 S CB 1.023 64.184 63.200 -0.065 0.000 0.928 541 S HN 0.339 nan 8.310 nan 0.000 0.502 542 A N 0.000 122.787 122.820 -0.055 0.000 2.254 542 A HA 0.000 4.325 4.320 0.009 0.000 0.244 542 A CA 0.000 52.014 52.037 -0.038 0.000 0.836 542 A CB 0.000 18.978 19.000 -0.037 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486