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 3cj5_1_B DATA FIRST_RESID 0 DATA SEQUENCE HHMSYTWTGA LITPCAAEES KLPINALSNS LLRHHNMVYA TTSRSAGLRQ DATA SEQUENCE KKVTFDRLQV LDDHYRDVLK EMKAKASTVK AKLLSVEEAC KLTPPHSAKS DATA SEQUENCE KFGYGAKDVR NLSSKAVNHI HSVWKDLLED TVTPIDTTIM AKNEVFCVQP DATA SEQUENCE EXXGRKPARL IVFPDLGVRV CEKMALYDVV STLPQVVMGS SYGFQYSPGQ DATA SEQUENCE RVEFLVNTWK SKKNPMGFSY DTRCFDSTVT ENDIRVEESI YQCCDLAPEA DATA SEQUENCE RQAIKSLTER LYIGGPLTNS KGQNCGYRRC RASGVLTTSC GNTLTCYLKA DATA SEQUENCE SAACRAAKLQ DCTMLVNGDD LVVICESAGT QEDAASLRVF TEAMTRYSAP DATA SEQUENCE PGDPPQPEYD LELITSCSSN VSVAHDASGK RVYYLTRDPT TPLARAAWET DATA SEQUENCE ARHTPVNSWL GNIIMYAPTL WARMILMTHF FSILLAQEQL EKALDCQIYG DATA SEQUENCE ACYSIEPLDL PQIIERLHGL SAFSLHSYSP GEINRVASCL RKLGVPPLRV DATA SEQUENCE WRHRARSVRA RLLSQGGRAA TCGKYLFNWA VKTKLKLTPI PAASRLDLSG DATA SEQUENCE WFVAGYSGGD IYHSL 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.110 175.328 -0.363 0.000 0.993 0 H CA 0.000 55.947 56.048 -0.169 0.000 1.023 0 H CB 0.000 29.738 29.762 -0.041 0.000 1.292 1 H N 1.897 120.958 119.070 -0.015 0.000 2.328 1 H HA 0.421 4.977 4.556 -0.000 0.000 0.230 1 H C 0.155 175.453 175.328 -0.049 0.000 1.481 1 H CA -0.703 55.325 56.048 -0.033 0.000 1.306 1 H CB -0.075 29.672 29.762 -0.026 0.000 1.531 1 H HN 0.547 nan 8.280 nan 0.000 0.533 2 M N 1.113 120.706 119.600 -0.011 0.000 2.228 2 M HA 0.044 4.524 4.480 -0.000 0.000 0.351 2 M C 1.601 177.810 176.300 -0.151 0.000 1.233 2 M CA 0.101 55.370 55.300 -0.051 0.000 1.129 2 M CB 1.110 33.682 32.600 -0.047 0.000 1.604 2 M HN 0.569 nan 8.290 nan 0.000 0.457 3 S N 2.844 118.392 115.700 -0.253 0.000 2.399 3 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 3 S C 0.089 174.261 174.600 -0.713 0.000 1.022 3 S CA 0.976 58.902 58.200 -0.457 0.000 0.983 3 S CB -0.152 62.712 63.200 -0.559 0.000 0.803 3 S HN 0.642 nan 8.310 nan 0.000 0.480 4 Y N 0.815 120.932 120.300 -0.305 0.000 2.513 4 Y HA 0.527 5.077 4.550 -0.000 0.000 0.340 4 Y C -0.087 175.472 175.900 -0.568 0.000 1.055 4 Y CA -0.900 56.864 58.100 -0.560 0.000 1.020 4 Y CB 2.007 39.923 38.460 -0.906 0.000 1.301 4 Y HN 0.136 nan 8.280 nan 0.000 0.453 5 T N -1.943 112.355 114.554 -0.427 0.000 2.856 5 T HA 0.700 5.050 4.350 -0.000 0.000 0.283 5 T C -1.198 173.252 174.700 -0.417 0.000 1.008 5 T CA -0.731 61.186 62.100 -0.304 0.000 0.997 5 T CB 1.080 69.882 68.868 -0.110 0.000 0.992 5 T HN 0.538 nan 8.240 nan 0.000 0.454 6 W N 1.013 122.369 121.300 0.093 0.000 2.761 6 W HA 0.471 5.131 4.660 -0.000 0.000 0.340 6 W C 1.445 177.993 176.519 0.048 0.000 1.072 6 W CA -0.808 56.577 57.345 0.067 0.000 1.215 6 W CB 2.125 31.608 29.460 0.039 0.000 1.420 6 W HN 0.901 nan 8.180 nan 0.000 0.519 7 T N -2.212 112.523 114.554 0.301 0.000 3.054 7 T HA 0.296 4.646 4.350 -0.000 0.000 0.259 7 T C 1.449 176.234 174.700 0.141 0.000 1.092 7 T CA 0.919 63.123 62.100 0.173 0.000 1.121 7 T CB 0.017 68.963 68.868 0.131 0.000 0.912 7 T HN 1.202 nan 8.240 nan 0.000 0.489 8 G N 1.228 110.120 108.800 0.153 0.000 2.238 8 G HA2 0.022 3.982 3.960 -0.000 0.000 0.217 8 G HA3 0.022 3.982 3.960 -0.000 0.000 0.217 8 G C 0.362 175.284 174.900 0.038 0.000 0.996 8 G CA -0.141 45.001 45.100 0.071 0.000 0.632 8 G HN 1.120 nan 8.290 nan 0.000 0.503 9 A N 1.125 123.981 122.820 0.061 0.000 2.462 9 A HA 0.627 4.947 4.320 -0.000 0.000 0.243 9 A C 0.853 178.443 177.584 0.009 0.000 1.076 9 A CA 0.143 52.203 52.037 0.038 0.000 0.773 9 A CB 0.200 19.233 19.000 0.054 0.000 1.010 9 A HN 0.826 nan 8.150 nan 0.000 0.493 10 L N 1.985 123.201 121.223 -0.012 0.000 2.436 10 L HA 0.236 4.576 4.340 -0.000 0.000 0.265 10 L C 0.086 176.935 176.870 -0.034 0.000 1.168 10 L CA -0.183 54.632 54.840 -0.042 0.000 0.815 10 L CB 0.639 42.678 42.059 -0.033 0.000 1.109 10 L HN 0.566 nan 8.230 nan 0.000 0.462 11 I N 1.854 122.384 120.570 -0.066 0.000 2.379 11 I HA 0.086 4.256 4.170 -0.000 0.000 0.290 11 I C 0.526 176.632 176.117 -0.019 0.000 1.063 11 I CA 0.055 61.331 61.300 -0.039 0.000 1.351 11 I CB 0.955 38.915 38.000 -0.067 0.000 1.410 11 I HN 0.649 nan 8.210 nan 0.000 0.505 12 T N 4.836 119.391 114.554 0.001 0.000 2.918 12 T HA 0.626 4.976 4.350 -0.000 0.000 0.286 12 T C -2.478 172.235 174.700 0.023 0.000 1.026 12 T CA -2.010 60.095 62.100 0.008 0.000 1.031 12 T CB 2.003 70.876 68.868 0.008 0.000 1.046 12 T HN 0.248 nan 8.240 nan 0.000 0.479 13 P HA 0.360 nan 4.420 nan 0.000 0.277 13 P C 0.146 177.467 177.300 0.035 0.000 1.271 13 P CA -0.668 62.453 63.100 0.035 0.000 0.795 13 P CB 0.817 32.537 31.700 0.034 0.000 1.101 14 C N -0.371 118.954 119.300 0.041 0.000 2.520 14 C HA 0.463 4.923 4.460 -0.000 0.000 0.291 14 C C 1.453 176.462 174.990 0.032 0.000 1.364 14 C CA 1.027 60.067 59.018 0.037 0.000 1.781 14 C CB -0.583 27.184 27.740 0.044 0.000 2.171 14 C HN 0.678 nan 8.230 nan 0.000 0.516 15 A N -0.109 122.733 122.820 0.036 0.000 2.443 15 A HA 0.800 5.120 4.320 -0.000 0.000 0.278 15 A C -0.487 177.121 177.584 0.041 0.000 1.252 15 A CA 0.124 52.183 52.037 0.036 0.000 0.816 15 A CB -0.068 18.955 19.000 0.039 0.000 1.369 15 A HN 0.526 nan 8.150 nan 0.000 0.446 16 A N -0.095 122.751 122.820 0.043 0.000 2.498 16 A HA 0.497 4.817 4.320 -0.000 0.000 0.239 16 A C -0.122 177.501 177.584 0.065 0.000 1.068 16 A CA 0.249 52.315 52.037 0.050 0.000 0.766 16 A CB -0.323 18.705 19.000 0.047 0.000 1.003 16 A HN 0.648 nan 8.150 nan 0.000 0.497 17 E N 1.482 121.726 120.200 0.074 0.000 2.176 17 E HA 0.320 4.670 4.350 -0.000 0.000 0.267 17 E C -1.004 175.674 176.600 0.129 0.000 0.893 17 E CA -0.456 56.002 56.400 0.097 0.000 0.761 17 E CB 1.597 31.345 29.700 0.078 0.000 1.133 17 E HN 0.743 nan 8.360 nan 0.000 0.409 18 E N 1.266 121.581 120.200 0.192 0.000 2.289 18 E HA 0.100 4.450 4.350 -0.000 0.000 0.278 18 E C 0.260 177.065 176.600 0.342 0.000 1.032 18 E CA -0.147 56.402 56.400 0.248 0.000 0.854 18 E CB 1.125 30.996 29.700 0.286 0.000 1.046 18 E HN 0.546 nan 8.360 nan 0.000 0.409 19 S N 0.800 116.676 115.700 0.293 0.000 2.506 19 S HA 0.073 4.543 4.470 -0.000 0.000 0.219 19 S C 1.019 175.878 174.600 0.431 0.000 1.031 19 S CA -0.315 58.086 58.200 0.335 0.000 0.911 19 S CB -0.025 63.312 63.200 0.228 0.000 0.812 19 S HN 0.430 nan 8.310 nan 0.000 0.497 20 K N 1.862 122.445 120.400 0.304 0.000 2.205 20 K HA 0.657 4.977 4.320 -0.000 0.000 0.279 20 K C -0.366 176.268 176.600 0.058 0.000 1.027 20 K CA -0.834 55.576 56.287 0.205 0.000 0.932 20 K CB -0.132 32.426 32.500 0.097 0.000 1.032 20 K HN 0.394 nan 8.250 nan 0.000 0.466 21 L N 4.060 125.314 121.223 0.051 0.000 2.660 21 L HA 0.175 4.515 4.340 -0.000 0.000 0.272 21 L C -2.232 174.366 176.870 -0.453 0.000 1.194 21 L CA -1.224 53.451 54.840 -0.275 0.000 0.945 21 L CB 0.109 42.167 42.059 -0.002 0.000 1.212 21 L HN 0.546 nan 8.230 nan 0.000 0.490 22 P HA 0.224 nan 4.420 nan 0.000 0.271 22 P C -1.000 176.057 177.300 -0.404 0.000 1.216 22 P CA -0.073 62.714 63.100 -0.521 0.000 0.776 22 P CB 0.600 31.930 31.700 -0.618 0.000 0.881 23 I N 2.978 123.371 120.570 -0.296 0.000 2.465 23 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 23 I C 0.345 176.348 176.117 -0.191 0.000 1.014 23 I CA -0.705 60.423 61.300 -0.286 0.000 1.093 23 I CB 1.405 39.219 38.000 -0.309 0.000 1.267 23 I HN 0.482 nan 8.210 nan 0.000 0.431 24 N N 4.453 123.055 118.700 -0.163 0.000 3.283 24 N HA 0.471 5.211 4.740 -0.000 0.000 0.338 24 N C 0.474 175.938 175.510 -0.076 0.000 1.517 24 N CA -0.395 52.592 53.050 -0.105 0.000 0.733 24 N CB 0.569 38.999 38.487 -0.096 0.000 1.797 24 N HN 0.370 nan 8.380 nan 0.000 0.637 25 A N -0.619 122.170 122.820 -0.053 0.000 2.121 25 A HA 0.120 4.440 4.320 -0.000 0.000 0.218 25 A C 1.733 179.301 177.584 -0.028 0.000 1.154 25 A CA 0.866 52.882 52.037 -0.035 0.000 0.679 25 A CB -0.917 18.064 19.000 -0.030 0.000 0.795 25 A HN 0.543 nan 8.150 nan 0.000 0.458 26 L N -1.265 119.938 121.223 -0.033 0.000 2.554 26 L HA 0.047 4.387 4.340 -0.000 0.000 0.225 26 L C 2.380 179.281 176.870 0.051 0.000 1.104 26 L CA 0.394 55.229 54.840 -0.008 0.000 0.866 26 L CB -0.160 41.865 42.059 -0.056 0.000 1.047 26 L HN 0.195 nan 8.230 nan 0.000 0.468 27 S N 0.780 116.481 115.700 0.003 0.000 2.353 27 S HA -0.166 4.304 4.470 -0.000 0.000 0.222 27 S C 1.724 176.386 174.600 0.103 0.000 1.035 27 S CA 1.630 59.832 58.200 0.003 0.000 1.025 27 S CB -0.262 62.844 63.200 -0.158 0.000 0.902 27 S HN 0.473 nan 8.310 nan 0.000 0.440 28 N N 1.401 120.171 118.700 0.117 0.000 2.309 28 N HA -0.039 4.701 4.740 -0.000 0.000 0.182 28 N C 1.867 177.413 175.510 0.061 0.000 1.018 28 N CA 1.190 54.317 53.050 0.129 0.000 0.876 28 N CB -0.477 38.066 38.487 0.093 0.000 0.972 28 N HN 0.572 nan 8.380 nan 0.000 0.434 29 S N -0.233 115.503 115.700 0.060 0.000 2.447 29 S HA -0.049 4.421 4.470 -0.000 0.000 0.233 29 S C 1.817 176.480 174.600 0.105 0.000 1.006 29 S CA 0.420 58.641 58.200 0.036 0.000 0.957 29 S CB -0.186 63.042 63.200 0.046 0.000 0.773 29 S HN 0.189 nan 8.310 nan 0.000 0.507 30 L N 0.995 122.285 121.223 0.112 0.000 2.189 30 L HA 0.550 4.890 4.340 -0.000 0.000 0.199 30 L C 0.251 177.185 176.870 0.107 0.000 1.074 30 L CA 0.962 55.839 54.840 0.062 0.000 0.783 30 L CB -0.067 41.786 42.059 -0.343 0.000 0.955 30 L HN 0.636 nan 8.230 nan 0.000 0.460 31 L N -5.123 116.145 121.223 0.075 0.000 2.506 31 L HA 0.687 5.027 4.340 -0.000 0.000 0.257 31 L C 0.103 176.967 176.870 -0.010 0.000 0.964 31 L CA -0.393 54.465 54.840 0.031 0.000 0.836 31 L CB 1.674 43.764 42.059 0.052 0.000 1.384 31 L HN -0.160 nan 8.230 nan 0.000 0.410 32 R N 0.509 120.868 120.500 -0.234 0.000 2.282 32 R HA 0.273 4.613 4.340 -0.000 0.000 0.195 32 R C 0.451 176.449 176.300 -0.503 0.000 0.909 32 R CA 0.973 56.828 56.100 -0.407 0.000 1.039 32 R CB -0.942 29.184 30.300 -0.291 0.000 1.015 32 R HN 0.870 nan 8.270 nan 0.000 0.513 33 H N 0.309 119.241 119.070 -0.229 0.000 2.652 33 H HA 0.261 4.817 4.556 0.000 0.000 0.233 33 H C 0.226 175.532 175.328 -0.036 0.000 1.762 33 H CA -0.492 55.471 56.048 -0.141 0.000 1.285 33 H CB 0.057 29.797 29.762 -0.036 0.000 1.668 33 H HN 0.627 nan 8.280 nan 0.000 0.550 34 H N 0.936 120.092 119.070 0.144 0.000 2.421 34 H HA -0.162 4.394 4.556 0.000 0.000 0.298 34 H C 1.991 177.393 175.328 0.123 0.000 1.087 34 H CA 0.982 57.091 56.048 0.103 0.000 1.330 34 H CB 0.334 30.130 29.762 0.057 0.000 1.388 34 H HN 0.645 nan 8.280 nan 0.000 0.526 35 N N 1.331 120.157 118.700 0.211 0.000 2.453 35 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 35 N C 1.374 176.986 175.510 0.170 0.000 1.041 35 N CA 0.929 54.076 53.050 0.161 0.000 0.900 35 N CB -0.204 38.340 38.487 0.096 0.000 0.961 35 N HN 0.453 nan 8.380 nan 0.000 0.443 36 M N 0.371 120.083 119.600 0.188 0.000 2.492 36 M HA 0.092 4.572 4.480 -0.000 0.000 0.262 36 M C 0.055 176.526 176.300 0.285 0.000 1.090 36 M CA 0.364 55.783 55.300 0.199 0.000 1.110 36 M CB 0.413 33.119 32.600 0.178 0.000 1.407 36 M HN -0.127 nan 8.290 nan 0.000 0.470 37 V N 0.972 121.065 119.914 0.298 0.000 2.435 37 V HA 0.351 4.471 4.120 -0.000 0.000 0.290 37 V C -0.876 175.477 176.094 0.432 0.000 1.030 37 V CA -0.761 61.730 62.300 0.319 0.000 0.881 37 V CB 0.945 32.930 31.823 0.270 0.000 0.983 37 V HN 0.306 nan 8.190 nan 0.000 0.445 38 Y N 2.523 122.978 120.300 0.258 0.000 2.571 38 Y HA 0.902 5.452 4.550 0.000 0.000 0.341 38 Y C -0.432 175.535 175.900 0.111 0.000 1.076 38 Y CA -1.442 56.812 58.100 0.256 0.000 1.029 38 Y CB 1.461 40.034 38.460 0.187 0.000 1.308 38 Y HN 0.704 nan 8.280 nan 0.000 0.461 39 A N 1.904 124.769 122.820 0.075 0.000 2.324 39 A HA 0.662 4.982 4.320 -0.000 0.000 0.330 39 A C 0.107 177.757 177.584 0.109 0.000 1.165 39 A CA -0.297 51.594 52.037 -0.243 0.000 0.813 39 A CB 0.285 18.912 19.000 -0.622 0.000 1.197 39 A HN 1.086 nan 8.150 nan 0.000 0.484 40 T N 0.093 114.700 114.554 0.089 0.000 2.898 40 T HA 0.541 4.891 4.350 -0.000 0.000 0.301 40 T C 0.354 175.107 174.700 0.089 0.000 1.049 40 T CA 0.411 62.622 62.100 0.184 0.000 1.095 40 T CB 0.660 69.661 68.868 0.221 0.000 0.976 40 T HN 1.465 nan 8.240 nan 0.000 0.539 41 T N -2.016 112.596 114.554 0.096 0.000 2.841 41 T HA 0.476 4.826 4.350 -0.000 0.000 0.296 41 T C 1.415 176.144 174.700 0.049 0.000 1.166 41 T CA -0.251 61.888 62.100 0.065 0.000 1.007 41 T CB 1.291 70.203 68.868 0.074 0.000 1.253 41 T HN 0.819 nan 8.240 nan 0.000 0.511 42 S N 0.584 116.306 115.700 0.037 0.000 2.423 42 S HA -0.198 4.272 4.470 -0.000 0.000 0.238 42 S C 1.731 176.334 174.600 0.004 0.000 1.028 42 S CA 0.573 58.785 58.200 0.019 0.000 1.000 42 S CB -0.630 62.581 63.200 0.018 0.000 0.797 42 S HN 0.652 nan 8.310 nan 0.000 0.487 43 R N 1.817 122.326 120.500 0.015 0.000 2.285 43 R HA 0.108 4.448 4.340 -0.000 0.000 0.213 43 R C 2.148 178.445 176.300 -0.005 0.000 1.068 43 R CA 1.098 57.200 56.100 0.004 0.000 1.004 43 R CB -1.272 29.037 30.300 0.016 0.000 0.873 43 R HN 0.799 nan 8.270 nan 0.000 0.467 44 S N -1.462 114.241 115.700 0.004 0.000 2.539 44 S HA 0.284 4.754 4.470 -0.000 0.000 0.221 44 S C 1.722 176.306 174.600 -0.027 0.000 0.987 44 S CA 0.171 58.367 58.200 -0.006 0.000 0.929 44 S CB 0.623 63.834 63.200 0.018 0.000 0.832 44 S HN 0.178 nan 8.310 nan 0.000 0.492 45 A N 2.049 124.845 122.820 -0.040 0.000 1.978 45 A HA 0.178 4.498 4.320 -0.000 0.000 0.220 45 A C 2.242 179.737 177.584 -0.148 0.000 1.170 45 A CA 1.549 53.540 52.037 -0.077 0.000 0.636 45 A CB -1.626 17.327 19.000 -0.079 0.000 0.810 45 A HN 0.663 nan 8.150 nan 0.000 0.448 46 G N -0.075 108.633 108.800 -0.153 0.000 2.442 46 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.219 46 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.219 46 G C 1.485 176.293 174.900 -0.152 0.000 1.141 46 G CA 1.030 46.011 45.100 -0.198 0.000 0.763 46 G HN 0.460 nan 8.290 nan 0.000 0.554 47 L N -0.317 120.851 121.223 -0.092 0.000 2.093 47 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 47 L C 2.886 179.728 176.870 -0.046 0.000 1.085 47 L CA 1.269 56.075 54.840 -0.057 0.000 0.755 47 L CB -0.400 41.639 42.059 -0.034 0.000 0.904 47 L HN 0.178 nan 8.230 nan 0.000 0.435 48 R N 0.618 121.085 120.500 -0.055 0.000 2.073 48 R HA -0.126 4.214 4.340 -0.000 0.000 0.229 48 R C 2.269 178.539 176.300 -0.049 0.000 1.120 48 R CA 1.382 57.465 56.100 -0.028 0.000 0.967 48 R CB -0.350 29.940 30.300 -0.018 0.000 0.862 48 R HN 0.339 nan 8.270 nan 0.000 0.436 49 Q N 0.288 119.982 119.800 -0.177 0.000 2.096 49 Q HA -0.258 4.082 4.340 -0.000 0.000 0.208 49 Q C 2.000 177.966 176.000 -0.056 0.000 0.993 49 Q CA 2.193 57.828 55.803 -0.280 0.000 0.862 49 Q CB -0.270 27.995 28.738 -0.788 0.000 0.915 49 Q HN 0.312 nan 8.270 nan 0.000 0.416 50 K N 1.221 121.586 120.400 -0.059 0.000 2.009 50 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 50 K C 1.864 178.544 176.600 0.134 0.000 1.049 50 K CA 1.726 58.039 56.287 0.043 0.000 0.929 50 K CB 0.025 32.531 32.500 0.011 0.000 0.714 50 K HN 0.080 nan 8.250 nan 0.000 0.440 51 K N 0.377 120.848 120.400 0.118 0.000 2.147 51 K HA -0.101 4.219 4.320 -0.000 0.000 0.205 51 K C 1.894 178.689 176.600 0.325 0.000 1.049 51 K CA 1.515 57.911 56.287 0.182 0.000 0.936 51 K CB -0.092 32.485 32.500 0.128 0.000 0.722 51 K HN 0.237 nan 8.250 nan 0.000 0.446 52 V N -1.575 118.505 119.914 0.276 0.000 3.649 52 V HA 0.056 4.176 4.120 -0.000 0.000 0.275 52 V C 0.342 176.563 176.094 0.212 0.000 1.281 52 V CA 0.147 62.632 62.300 0.308 0.000 1.143 52 V CB -0.126 31.834 31.823 0.228 0.000 0.892 52 V HN -0.021 nan 8.190 nan 0.000 0.441 53 T N 4.430 119.166 114.554 0.303 0.000 2.801 53 T HA 0.719 5.069 4.350 -0.000 0.000 0.306 53 T C -0.757 174.102 174.700 0.264 0.000 1.020 53 T CA -0.067 62.194 62.100 0.267 0.000 0.948 53 T CB 0.143 69.297 68.868 0.477 0.000 0.962 53 T HN 0.609 nan 8.240 nan 0.000 0.465 54 F N -0.405 119.651 119.950 0.177 0.000 2.741 54 F HA 0.691 5.218 4.527 -0.000 0.000 0.313 54 F C -1.031 174.820 175.800 0.085 0.000 1.153 54 F CA -1.743 56.326 58.000 0.115 0.000 0.931 54 F CB 0.660 39.717 39.000 0.096 0.000 1.335 54 F HN 0.157 nan 8.300 nan 0.000 0.460 55 D N 0.678 121.292 120.400 0.356 0.000 2.302 55 D HA 0.455 5.095 4.640 -0.000 0.000 0.248 55 D C -0.907 175.576 176.300 0.305 0.000 1.094 55 D CA 0.013 54.155 54.000 0.237 0.000 0.897 55 D CB 0.866 41.772 40.800 0.177 0.000 1.200 55 D HN 0.562 nan 8.370 nan 0.000 0.429 56 R N 2.609 123.229 120.500 0.201 0.000 2.437 56 R HA 0.494 4.834 4.340 -0.000 0.000 0.310 56 R C -0.877 175.447 176.300 0.039 0.000 0.955 56 R CA -0.688 55.502 56.100 0.150 0.000 0.851 56 R CB 1.050 31.407 30.300 0.095 0.000 1.161 56 R HN 0.306 nan 8.270 nan 0.000 0.446 57 L N 2.187 123.419 121.223 0.014 0.000 2.334 57 L HA 0.560 4.900 4.340 -0.000 0.000 0.273 57 L C -0.393 176.432 176.870 -0.075 0.000 1.013 57 L CA -0.471 54.334 54.840 -0.058 0.000 0.816 57 L CB 1.742 43.790 42.059 -0.019 0.000 1.278 57 L HN 0.631 nan 8.230 nan 0.000 0.431 58 Q N 1.361 121.089 119.800 -0.119 0.000 2.305 58 Q HA 0.648 4.988 4.340 -0.000 0.000 0.271 58 Q C -1.417 174.521 176.000 -0.103 0.000 1.046 58 Q CA -0.531 55.208 55.803 -0.106 0.000 0.798 58 Q CB 2.873 31.524 28.738 -0.144 0.000 1.286 58 Q HN 0.487 nan 8.270 nan 0.000 0.435 59 V N 2.148 122.021 119.914 -0.069 0.000 2.409 59 V HA 0.600 4.720 4.120 -0.000 0.000 0.290 59 V C -0.961 175.122 176.094 -0.018 0.000 1.017 59 V CA -0.763 61.502 62.300 -0.057 0.000 0.841 59 V CB 1.040 32.833 31.823 -0.051 0.000 1.003 59 V HN 0.663 nan 8.190 nan 0.000 0.426 60 L N 5.716 126.886 121.223 -0.089 0.000 2.280 60 L HA 0.645 4.985 4.340 -0.000 0.000 0.287 60 L C -0.022 176.851 176.870 0.005 0.000 1.023 60 L CA -0.424 54.321 54.840 -0.157 0.000 0.819 60 L CB 1.377 43.154 42.059 -0.470 0.000 1.212 60 L HN 0.877 nan 8.230 nan 0.000 0.420 61 D N 0.665 121.151 120.400 0.142 0.000 2.564 61 D HA 0.121 4.761 4.640 -0.000 0.000 0.273 61 D C 0.288 176.656 176.300 0.112 0.000 1.192 61 D CA -0.593 53.475 54.000 0.113 0.000 1.080 61 D CB 0.880 41.756 40.800 0.126 0.000 1.160 61 D HN 0.297 nan 8.370 nan 0.000 0.607 62 D N -1.269 119.134 120.400 0.005 0.000 2.178 62 D HA -0.138 4.502 4.640 -0.000 0.000 0.202 62 D C 1.786 178.079 176.300 -0.011 0.000 0.974 62 D CA 0.963 54.941 54.000 -0.037 0.000 0.841 62 D CB -0.075 40.654 40.800 -0.118 0.000 0.953 62 D HN 0.410 nan 8.370 nan 0.000 0.478 63 H N -0.014 119.117 119.070 0.102 0.000 2.319 63 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 63 H C 2.045 177.411 175.328 0.062 0.000 1.092 63 H CA 1.075 57.177 56.048 0.090 0.000 1.302 63 H CB -0.798 29.045 29.762 0.136 0.000 1.373 63 H HN 0.325 nan 8.280 nan 0.000 0.497 64 Y N 1.845 122.188 120.300 0.071 0.000 2.097 64 Y HA -0.256 4.294 4.550 -0.000 0.000 0.282 64 Y C 2.784 178.629 175.900 -0.091 0.000 1.152 64 Y CA 1.800 59.812 58.100 -0.146 0.000 1.136 64 Y CB -0.129 38.151 38.460 -0.301 0.000 0.975 64 Y HN -0.039 nan 8.280 nan 0.000 0.498 65 R N 0.052 120.608 120.500 0.094 0.000 2.115 65 R HA -0.150 4.190 4.340 -0.000 0.000 0.230 65 R C 1.787 178.051 176.300 -0.060 0.000 1.111 65 R CA 1.381 57.480 56.100 -0.002 0.000 0.976 65 R CB -0.293 30.049 30.300 0.069 0.000 0.870 65 R HN 0.432 nan 8.270 nan 0.000 0.445 66 D N 0.053 120.440 120.400 -0.022 0.000 2.084 66 D HA -0.128 4.512 4.640 -0.000 0.000 0.194 66 D C 1.949 178.220 176.300 -0.048 0.000 0.990 66 D CA 1.144 55.135 54.000 -0.015 0.000 0.826 66 D CB -0.244 40.576 40.800 0.032 0.000 0.971 66 D HN -0.020 nan 8.370 nan 0.000 0.453 67 V N 1.106 120.972 119.914 -0.080 0.000 2.407 67 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 67 V C 2.434 178.441 176.094 -0.146 0.000 1.055 67 V CA 0.999 63.231 62.300 -0.113 0.000 1.049 67 V CB -0.401 31.321 31.823 -0.168 0.000 0.662 67 V HN 0.133 nan 8.190 nan 0.000 0.455 68 L N 0.447 121.522 121.223 -0.247 0.000 2.056 68 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 68 L C 2.396 179.191 176.870 -0.124 0.000 1.078 68 L CA 2.152 56.848 54.840 -0.241 0.000 0.749 68 L CB -0.811 41.031 42.059 -0.363 0.000 0.901 68 L HN 0.270 nan 8.230 nan 0.000 0.433 69 K N -0.370 119.974 120.400 -0.092 0.000 2.063 69 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 69 K C 1.932 178.512 176.600 -0.034 0.000 1.048 69 K CA 1.971 58.227 56.287 -0.051 0.000 0.928 69 K CB -0.128 32.352 32.500 -0.034 0.000 0.713 69 K HN 0.487 nan 8.250 nan 0.000 0.442 70 E N 0.154 120.338 120.200 -0.027 0.000 2.085 70 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 70 E C 2.101 178.702 176.600 0.002 0.000 0.994 70 E CA 1.760 58.158 56.400 -0.003 0.000 0.801 70 E CB -0.095 29.612 29.700 0.012 0.000 0.743 70 E HN 0.366 nan 8.360 nan 0.000 0.453 71 M N 0.519 120.118 119.600 -0.001 0.000 2.117 71 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 71 M C 2.117 178.401 176.300 -0.027 0.000 1.065 71 M CA 1.514 56.814 55.300 0.001 0.000 1.114 71 M CB -0.147 32.456 32.600 0.006 0.000 1.361 71 M HN -0.060 nan 8.290 nan 0.000 0.408 72 K N 0.281 120.658 120.400 -0.038 0.000 2.148 72 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 72 K C 2.102 178.689 176.600 -0.022 0.000 1.050 72 K CA 1.285 57.551 56.287 -0.035 0.000 0.942 72 K CB -0.262 32.214 32.500 -0.040 0.000 0.724 72 K HN 0.293 nan 8.250 nan 0.000 0.446 73 A N 2.113 124.922 122.820 -0.018 0.000 1.877 73 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 73 A C 1.901 179.478 177.584 -0.012 0.000 1.186 73 A CA 1.467 53.497 52.037 -0.012 0.000 0.620 73 A CB -0.246 18.750 19.000 -0.007 0.000 0.822 73 A HN 0.144 nan 8.150 nan 0.000 0.443 74 K N -0.382 120.009 120.400 -0.015 0.000 2.057 74 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 74 K C 2.285 178.867 176.600 -0.030 0.000 1.049 74 K CA 1.156 57.430 56.287 -0.023 0.000 0.931 74 K CB -0.373 32.109 32.500 -0.029 0.000 0.714 74 K HN 0.441 nan 8.250 nan 0.000 0.440 75 A N 1.249 124.051 122.820 -0.030 0.000 1.972 75 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 75 A C 2.152 179.729 177.584 -0.011 0.000 1.169 75 A CA 1.511 53.533 52.037 -0.025 0.000 0.635 75 A CB -0.387 18.601 19.000 -0.020 0.000 0.810 75 A HN 0.162 nan 8.150 nan 0.000 0.446 76 S N -0.229 115.465 115.700 -0.010 0.000 2.500 76 S HA -0.105 4.365 4.470 -0.000 0.000 0.239 76 S C 1.919 176.517 174.600 -0.004 0.000 0.989 76 S CA 1.579 59.777 58.200 -0.003 0.000 0.951 76 S CB -0.490 62.708 63.200 -0.004 0.000 0.759 76 S HN 0.908 nan 8.310 nan 0.000 0.523 77 T N -0.982 113.566 114.554 -0.010 0.000 3.100 77 T HA 0.180 4.530 4.350 -0.000 0.000 0.253 77 T C 0.517 175.209 174.700 -0.012 0.000 1.118 77 T CA -0.082 62.011 62.100 -0.011 0.000 1.058 77 T CB -0.260 68.600 68.868 -0.014 0.000 0.953 77 T HN 0.028 nan 8.240 nan 0.000 0.515 78 V N 2.085 121.991 119.914 -0.014 0.000 2.530 78 V HA 0.383 4.503 4.120 -0.000 0.000 0.282 78 V C 0.129 176.220 176.094 -0.005 0.000 1.048 78 V CA -0.810 61.480 62.300 -0.016 0.000 0.997 78 V CB 1.131 32.940 31.823 -0.024 0.000 0.987 78 V HN 0.402 nan 8.190 nan 0.000 0.477 79 K N 3.655 124.052 120.400 -0.006 0.000 2.244 79 K HA 0.786 5.106 4.320 -0.000 0.000 0.260 79 K C -0.723 175.878 176.600 0.001 0.000 0.951 79 K CA -0.446 55.842 56.287 0.002 0.000 0.826 79 K CB 1.632 34.134 32.500 0.003 0.000 1.108 79 K HN 0.829 nan 8.250 nan 0.000 0.433 80 A N 3.782 126.608 122.820 0.010 0.000 2.414 80 A HA 0.486 4.806 4.320 -0.000 0.000 0.306 80 A C -1.365 176.233 177.584 0.024 0.000 1.054 80 A CA -0.968 51.076 52.037 0.011 0.000 0.724 80 A CB 1.074 20.078 19.000 0.005 0.000 1.267 80 A HN 0.850 nan 8.150 nan 0.000 0.418 81 K N 2.085 122.501 120.400 0.027 0.000 2.118 81 K HA 0.744 5.064 4.320 -0.000 0.000 0.254 81 K C -1.057 175.566 176.600 0.039 0.000 0.961 81 K CA -0.630 55.675 56.287 0.030 0.000 0.876 81 K CB 1.153 33.666 32.500 0.023 0.000 1.077 81 K HN 0.533 nan 8.250 nan 0.000 0.440 82 L N 2.355 123.597 121.223 0.031 0.000 2.439 82 L HA 0.131 4.471 4.340 -0.000 0.000 0.269 82 L C -0.218 176.632 176.870 -0.034 0.000 1.179 82 L CA -0.770 54.075 54.840 0.008 0.000 0.828 82 L CB 0.418 42.474 42.059 -0.005 0.000 1.106 82 L HN 0.532 nan 8.230 nan 0.000 0.467 83 L N 2.059 123.241 121.223 -0.069 0.000 2.334 83 L HA 0.278 4.618 4.340 -0.000 0.000 0.277 83 L C 0.437 177.192 176.870 -0.191 0.000 1.075 83 L CA 0.306 55.087 54.840 -0.099 0.000 0.804 83 L CB 1.683 43.692 42.059 -0.084 0.000 1.174 83 L HN 0.710 nan 8.230 nan 0.000 0.438 84 S N 1.488 117.089 115.700 -0.164 0.000 2.600 84 S HA 0.180 4.650 4.470 -0.000 0.000 0.265 84 S C 1.374 175.827 174.600 -0.244 0.000 1.325 84 S CA -0.706 57.376 58.200 -0.198 0.000 1.002 84 S CB 0.811 63.935 63.200 -0.127 0.000 0.921 84 S HN 0.349 nan 8.310 nan 0.000 0.554 85 V N 2.282 122.020 119.914 -0.294 0.000 2.278 85 V HA -0.244 3.876 4.120 -0.000 0.000 0.251 85 V C 2.937 178.912 176.094 -0.198 0.000 1.062 85 V CA 2.384 64.499 62.300 -0.308 0.000 1.038 85 V CB -1.282 30.301 31.823 -0.400 0.000 0.646 85 V HN 1.032 nan 8.190 nan 0.000 0.447 86 E N 0.322 120.436 120.200 -0.144 0.000 2.106 86 E HA -0.273 4.077 4.350 -0.000 0.000 0.192 86 E C 1.950 178.481 176.600 -0.114 0.000 0.984 86 E CA 1.605 57.940 56.400 -0.109 0.000 0.806 86 E CB -0.431 29.222 29.700 -0.077 0.000 0.750 86 E HN 0.721 nan 8.360 nan 0.000 0.458 87 E N 1.250 121.376 120.200 -0.124 0.000 2.058 87 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 87 E C 2.197 178.694 176.600 -0.172 0.000 0.997 87 E CA 1.349 57.671 56.400 -0.131 0.000 0.801 87 E CB -0.187 29.441 29.700 -0.120 0.000 0.746 87 E HN 0.404 nan 8.360 nan 0.000 0.450 88 A N 0.766 123.475 122.820 -0.185 0.000 1.883 88 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 88 A C 2.462 179.948 177.584 -0.165 0.000 1.186 88 A CA 1.416 53.336 52.037 -0.196 0.000 0.624 88 A CB -0.990 17.904 19.000 -0.177 0.000 0.822 88 A HN 0.398 nan 8.150 nan 0.000 0.444 89 C N -0.357 118.860 119.300 -0.139 0.000 2.401 89 C HA -0.097 4.363 4.460 -0.000 0.000 0.276 89 C C 2.606 177.532 174.990 -0.107 0.000 1.233 89 C CA 1.326 60.278 59.018 -0.110 0.000 1.753 89 C CB -0.827 26.851 27.740 -0.103 0.000 2.029 89 C HN 0.484 nan 8.230 nan 0.000 0.478 90 K N 0.678 121.014 120.400 -0.107 0.000 2.362 90 K HA 0.071 4.391 4.320 -0.000 0.000 0.200 90 K C 1.407 177.973 176.600 -0.058 0.000 1.046 90 K CA 0.862 57.104 56.287 -0.076 0.000 0.952 90 K CB -0.368 32.093 32.500 -0.064 0.000 0.753 90 K HN 0.549 nan 8.250 nan 0.000 0.466 91 L N 0.844 121.985 121.223 -0.136 0.000 2.591 91 L HA 0.026 4.366 4.340 -0.000 0.000 0.228 91 L C 0.348 177.142 176.870 -0.126 0.000 1.133 91 L CA 0.153 54.889 54.840 -0.174 0.000 0.880 91 L CB -0.115 41.705 42.059 -0.399 0.000 1.033 91 L HN -0.144 nan 8.230 nan 0.000 0.450 92 T N 1.630 116.116 114.554 -0.114 0.000 2.780 92 T HA 0.239 4.589 4.350 -0.000 0.000 0.294 92 T C -2.331 172.240 174.700 -0.214 0.000 0.949 92 T CA -1.189 60.834 62.100 -0.127 0.000 1.074 92 T CB 1.018 69.824 68.868 -0.103 0.000 0.910 92 T HN -0.155 nan 8.240 nan 0.000 0.501 93 P HA 0.155 nan 4.420 nan 0.000 0.268 93 P C -1.886 175.199 177.300 -0.358 0.000 1.205 93 P CA -1.437 61.470 63.100 -0.322 0.000 0.771 93 P CB 0.190 31.827 31.700 -0.105 0.000 0.858 94 P HA -0.158 nan 4.420 nan 0.000 0.219 94 P C 0.848 177.919 177.300 -0.381 0.000 1.146 94 P CA 1.679 64.527 63.100 -0.419 0.000 0.808 94 P CB -0.138 31.285 31.700 -0.461 0.000 0.779 95 H N -1.901 117.076 119.070 -0.155 0.000 2.529 95 H HA 0.229 4.785 4.556 -0.000 0.000 0.277 95 H C 0.546 175.809 175.328 -0.108 0.000 1.004 95 H CA -0.067 55.918 56.048 -0.106 0.000 1.167 95 H CB 0.070 29.784 29.762 -0.080 0.000 1.445 95 H HN 0.078 nan 8.280 nan 0.000 0.554 96 S N 1.034 116.704 115.700 -0.050 0.000 2.561 96 S HA 0.160 4.630 4.470 -0.000 0.000 0.294 96 S C 0.567 175.127 174.600 -0.067 0.000 1.294 96 S CA -0.372 57.781 58.200 -0.079 0.000 1.055 96 S CB 0.281 63.430 63.200 -0.084 0.000 0.819 96 S HN 0.479 nan 8.310 nan 0.000 0.503 97 A N 4.661 127.418 122.820 -0.105 0.000 2.520 97 A HA 0.272 4.592 4.320 -0.000 0.000 0.245 97 A C 0.503 178.079 177.584 -0.013 0.000 1.072 97 A CA -0.268 51.734 52.037 -0.059 0.000 0.761 97 A CB -0.117 18.824 19.000 -0.098 0.000 1.004 97 A HN 0.864 nan 8.150 nan 0.000 0.499 98 K N 2.188 122.577 120.400 -0.018 0.000 2.319 98 K HA 0.302 4.622 4.320 -0.000 0.000 0.265 98 K C 0.336 176.873 176.600 -0.105 0.000 1.000 98 K CA 0.083 56.331 56.287 -0.065 0.000 0.943 98 K CB 0.449 32.907 32.500 -0.069 0.000 0.950 98 K HN 0.447 nan 8.250 nan 0.000 0.485 99 S N 0.586 116.120 115.700 -0.278 0.000 2.585 99 S HA 0.196 4.666 4.470 -0.000 0.000 0.273 99 S C 1.270 175.681 174.600 -0.314 0.000 1.339 99 S CA 0.114 58.105 58.200 -0.348 0.000 1.028 99 S CB 0.781 63.426 63.200 -0.925 0.000 0.906 99 S HN 0.728 nan 8.310 nan 0.000 0.528 100 K N 2.911 123.125 120.400 -0.311 0.000 2.486 100 K HA 0.172 4.492 4.320 -0.000 0.000 0.194 100 K C 0.692 176.887 176.600 -0.674 0.000 1.033 100 K CA 1.017 57.010 56.287 -0.491 0.000 1.004 100 K CB -0.718 31.421 32.500 -0.601 0.000 0.798 100 K HN 0.767 nan 8.250 nan 0.000 0.495 101 F N 0.038 119.795 119.950 -0.322 0.000 2.668 101 F HA 0.384 4.910 4.527 -0.000 0.000 0.297 101 F C 1.553 177.234 175.800 -0.200 0.000 1.124 101 F CA 0.036 57.850 58.000 -0.310 0.000 1.353 101 F CB 0.510 39.158 39.000 -0.585 0.000 0.992 101 F HN 0.280 nan 8.300 nan 0.000 0.524 102 G N 0.159 108.893 108.800 -0.110 0.000 2.134 102 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.209 102 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.209 102 G C -0.288 174.668 174.900 0.094 0.000 0.993 102 G CA 0.027 45.128 45.100 0.001 0.000 0.669 102 G HN 0.497 nan 8.290 nan 0.000 0.519 103 Y N -1.744 118.557 120.300 0.002 0.000 2.615 103 Y HA 0.830 5.380 4.550 -0.000 0.000 0.341 103 Y C 0.421 176.326 175.900 0.008 0.000 1.089 103 Y CA -1.184 56.919 58.100 0.006 0.000 1.049 103 Y CB 0.852 39.322 38.460 0.017 0.000 1.296 103 Y HN 0.591 nan 8.280 nan 0.000 0.470 104 G N -0.242 108.638 108.800 0.133 0.000 3.013 104 G HA2 0.525 4.485 3.960 -0.000 0.000 0.278 104 G HA3 0.525 4.485 3.960 -0.000 0.000 0.278 104 G C 0.219 175.178 174.900 0.098 0.000 1.353 104 G CA -0.793 44.331 45.100 0.039 0.000 1.043 104 G HN 1.144 nan 8.290 nan 0.000 0.523 105 A N -0.360 122.467 122.820 0.011 0.000 1.940 105 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 105 A C 2.203 179.754 177.584 -0.054 0.000 1.176 105 A CA 2.131 54.153 52.037 -0.024 0.000 0.631 105 A CB -0.424 18.521 19.000 -0.091 0.000 0.814 105 A HN 0.599 nan 8.150 nan 0.000 0.446 106 K N -0.213 120.146 120.400 -0.069 0.000 2.026 106 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 106 K C 1.580 178.156 176.600 -0.040 0.000 1.048 106 K CA 1.524 57.762 56.287 -0.082 0.000 0.929 106 K CB -0.208 32.240 32.500 -0.087 0.000 0.713 106 K HN 0.442 nan 8.250 nan 0.000 0.439 107 D N 0.301 120.708 120.400 0.012 0.000 2.149 107 D HA -0.149 4.491 4.640 -0.000 0.000 0.198 107 D C 1.920 178.213 176.300 -0.012 0.000 0.990 107 D CA 1.029 55.042 54.000 0.022 0.000 0.839 107 D CB -0.132 40.725 40.800 0.095 0.000 0.948 107 D HN -0.021 nan 8.370 nan 0.000 0.460 108 V N 1.129 121.053 119.914 0.018 0.000 2.307 108 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 108 V C 2.545 178.603 176.094 -0.060 0.000 1.045 108 V CA 1.417 63.705 62.300 -0.021 0.000 1.024 108 V CB -0.260 31.591 31.823 0.046 0.000 0.651 108 V HN 0.117 nan 8.190 nan 0.000 0.449 109 R N 0.274 120.729 120.500 -0.075 0.000 2.096 109 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 109 R C 1.948 178.202 176.300 -0.078 0.000 1.127 109 R CA 1.503 57.543 56.100 -0.099 0.000 0.968 109 R CB -0.424 29.785 30.300 -0.150 0.000 0.861 109 R HN 0.486 nan 8.270 nan 0.000 0.440 110 N N 0.743 119.403 118.700 -0.067 0.000 2.550 110 N HA -0.008 4.732 4.740 -0.000 0.000 0.186 110 N C 0.359 175.838 175.510 -0.051 0.000 1.110 110 N CA 0.499 53.517 53.050 -0.054 0.000 0.912 110 N CB 0.006 38.466 38.487 -0.045 0.000 0.968 110 N HN 0.151 nan 8.380 nan 0.000 0.448 111 L N 0.038 121.224 121.223 -0.060 0.000 3.730 111 L HA -0.226 4.114 4.340 -0.000 0.000 0.410 111 L C 0.175 177.007 176.870 -0.062 0.000 1.234 111 L CA -0.019 54.782 54.840 -0.065 0.000 0.911 111 L CB -2.641 39.385 42.059 -0.056 0.000 1.942 111 L HN 0.171 nan 8.230 nan 0.000 0.860 112 S N -1.942 113.719 115.700 -0.067 0.000 2.573 112 S HA 0.285 4.755 4.470 -0.000 0.000 0.277 112 S C 1.351 175.905 174.600 -0.076 0.000 1.346 112 S CA 0.129 58.294 58.200 -0.060 0.000 1.034 112 S CB 1.777 64.949 63.200 -0.046 0.000 0.879 112 S HN 0.263 nan 8.310 nan 0.000 0.528 113 S N 1.614 117.281 115.700 -0.054 0.000 2.383 113 S HA -0.088 4.382 4.470 -0.000 0.000 0.227 113 S C 1.798 176.361 174.600 -0.061 0.000 1.026 113 S CA 1.292 59.463 58.200 -0.047 0.000 0.981 113 S CB -0.469 62.713 63.200 -0.031 0.000 0.818 113 S HN 0.842 nan 8.310 nan 0.000 0.472 114 K N 1.173 121.533 120.400 -0.066 0.000 2.057 114 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 114 K C 2.129 178.592 176.600 -0.229 0.000 1.049 114 K CA 1.228 57.474 56.287 -0.068 0.000 0.931 114 K CB -0.271 32.225 32.500 -0.006 0.000 0.714 114 K HN 0.310 nan 8.250 nan 0.000 0.440 115 A N 0.442 123.015 122.820 -0.412 0.000 1.843 115 A HA -0.063 4.257 4.320 -0.000 0.000 0.213 115 A C 2.210 179.530 177.584 -0.440 0.000 1.202 115 A CA 1.300 52.799 52.037 -0.897 0.000 0.607 115 A CB -0.735 17.836 19.000 -0.715 0.000 0.847 115 A HN 0.130 nan 8.150 nan 0.000 0.445 116 V N 1.502 121.285 119.914 -0.217 0.000 2.317 116 V HA -0.324 3.796 4.120 -0.000 0.000 0.251 116 V C 2.224 178.357 176.094 0.065 0.000 1.065 116 V CA 2.338 64.593 62.300 -0.075 0.000 1.049 116 V CB -1.006 30.809 31.823 -0.012 0.000 0.651 116 V HN 0.561 nan 8.190 nan 0.000 0.450 117 N N -1.224 117.496 118.700 0.034 0.000 2.331 117 N HA -0.129 4.611 4.740 -0.000 0.000 0.180 117 N C 1.817 177.379 175.510 0.086 0.000 1.019 117 N CA 1.152 54.252 53.050 0.082 0.000 0.881 117 N CB -0.437 38.064 38.487 0.025 0.000 0.972 117 N HN 0.679 nan 8.380 nan 0.000 0.435 118 H N 0.766 119.802 119.070 -0.057 0.000 2.403 118 H HA 0.113 4.669 4.556 -0.000 0.000 0.298 118 H C 1.993 177.315 175.328 -0.011 0.000 1.059 118 H CA 0.667 56.700 56.048 -0.025 0.000 1.363 118 H CB 0.168 29.965 29.762 0.058 0.000 1.410 118 H HN 0.080 nan 8.280 nan 0.000 0.528 119 I N 0.509 121.009 120.570 -0.117 0.000 2.151 119 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 119 I C 2.347 178.379 176.117 -0.141 0.000 1.080 119 I CA 1.646 62.854 61.300 -0.153 0.000 1.339 119 I CB -0.467 37.436 38.000 -0.163 0.000 1.039 119 I HN 0.328 nan 8.210 nan 0.000 0.409 120 H N 0.092 119.120 119.070 -0.069 0.000 2.352 120 H HA -0.175 4.381 4.556 -0.000 0.000 0.299 120 H C 2.542 177.878 175.328 0.014 0.000 1.097 120 H CA 2.069 58.111 56.048 -0.011 0.000 1.311 120 H CB -0.094 29.650 29.762 -0.030 0.000 1.377 120 H HN 0.404 nan 8.280 nan 0.000 0.504 121 S N -0.237 115.487 115.700 0.040 0.000 2.406 121 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 121 S C 2.260 176.796 174.600 -0.106 0.000 1.020 121 S CA 0.975 59.154 58.200 -0.034 0.000 0.965 121 S CB -0.601 62.559 63.200 -0.067 0.000 0.798 121 S HN 0.157 nan 8.310 nan 0.000 0.488 122 V N 1.103 120.889 119.914 -0.214 0.000 2.295 122 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 122 V C 2.251 178.332 176.094 -0.022 0.000 1.049 122 V CA 1.913 64.104 62.300 -0.182 0.000 1.024 122 V CB -1.072 30.606 31.823 -0.241 0.000 0.648 122 V HN 0.722 nan 8.190 nan 0.000 0.447 123 W N 1.288 122.503 121.300 -0.141 0.000 2.335 123 W HA -0.256 4.404 4.660 0.000 0.000 0.311 123 W C 2.554 179.036 176.519 -0.063 0.000 1.213 123 W CA 2.399 59.687 57.345 -0.095 0.000 1.274 123 W CB -0.194 29.205 29.460 -0.102 0.000 1.148 123 W HN 0.227 nan 8.180 nan 0.000 0.498 124 K N 0.471 120.919 120.400 0.081 0.000 2.063 124 K HA -0.277 4.043 4.320 -0.000 0.000 0.208 124 K C 1.743 178.281 176.600 -0.104 0.000 1.048 124 K CA 2.291 58.572 56.287 -0.010 0.000 0.928 124 K CB -0.575 31.959 32.500 0.058 0.000 0.713 124 K HN 0.069 nan 8.250 nan 0.000 0.442 125 D N 0.132 120.474 120.400 -0.096 0.000 2.144 125 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 125 D C 1.973 178.182 176.300 -0.153 0.000 0.978 125 D CA 0.825 54.762 54.000 -0.106 0.000 0.833 125 D CB 0.082 40.828 40.800 -0.090 0.000 0.961 125 D HN 0.187 nan 8.370 nan 0.000 0.470 126 L N -0.014 121.079 121.223 -0.218 0.000 2.079 126 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 126 L C 2.419 179.093 176.870 -0.326 0.000 1.081 126 L CA 0.713 55.381 54.840 -0.286 0.000 0.752 126 L CB -0.318 41.508 42.059 -0.387 0.000 0.896 126 L HN 0.241 nan 8.230 nan 0.000 0.433 127 L N -0.844 120.147 121.223 -0.386 0.000 2.093 127 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 127 L C 2.184 178.949 176.870 -0.174 0.000 1.085 127 L CA 1.266 55.921 54.840 -0.308 0.000 0.755 127 L CB -0.375 41.500 42.059 -0.307 0.000 0.904 127 L HN 0.281 nan 8.230 nan 0.000 0.435 128 E N -1.209 118.908 120.200 -0.138 0.000 2.385 128 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 128 E C 0.103 176.658 176.600 -0.076 0.000 1.013 128 E CA 0.103 56.450 56.400 -0.088 0.000 0.866 128 E CB 0.397 30.058 29.700 -0.066 0.000 0.832 128 E HN 0.180 nan 8.360 nan 0.000 0.500 129 D N 0.152 120.498 120.400 -0.090 0.000 2.620 129 D HA 0.049 4.689 4.640 -0.000 0.000 0.252 129 D C -0.134 176.116 176.300 -0.083 0.000 1.207 129 D CA -0.300 53.657 54.000 -0.072 0.000 0.884 129 D CB 1.519 42.282 40.800 -0.061 0.000 1.262 129 D HN -0.033 nan 8.370 nan 0.000 0.552 130 T N 0.349 114.863 114.554 -0.067 0.000 3.182 130 T HA 0.211 4.561 4.350 -0.000 0.000 0.277 130 T C 1.184 175.855 174.700 -0.047 0.000 1.013 130 T CA 0.416 62.476 62.100 -0.066 0.000 0.900 130 T CB -0.186 68.647 68.868 -0.059 0.000 1.098 130 T HN 0.195 nan 8.240 nan 0.000 0.543 131 V N -2.672 117.219 119.914 -0.039 0.000 3.250 131 V HA 0.374 4.494 4.120 -0.000 0.000 0.240 131 V C 0.691 176.776 176.094 -0.015 0.000 1.275 131 V CA 0.010 62.296 62.300 -0.023 0.000 1.206 131 V CB -0.385 31.428 31.823 -0.018 0.000 0.976 131 V HN 0.300 nan 8.190 nan 0.000 0.467 132 T N 4.504 119.046 114.554 -0.019 0.000 2.769 132 T HA 0.354 4.704 4.350 -0.000 0.000 0.293 132 T C -2.498 172.201 174.700 -0.001 0.000 0.931 132 T CA -0.393 61.704 62.100 -0.005 0.000 1.139 132 T CB 0.688 69.553 68.868 -0.005 0.000 0.881 132 T HN 0.347 nan 8.240 nan 0.000 0.532 133 P HA 0.129 nan 4.420 nan 0.000 0.264 133 P C -0.312 176.991 177.300 0.006 0.000 1.183 133 P CA 0.003 63.120 63.100 0.027 0.000 0.763 133 P CB 0.323 32.082 31.700 0.099 0.000 0.807 134 I N 2.605 123.161 120.570 -0.023 0.000 2.353 134 I HA 0.151 4.321 4.170 -0.000 0.000 0.293 134 I C 0.842 176.947 176.117 -0.020 0.000 0.992 134 I CA -0.483 60.807 61.300 -0.016 0.000 1.268 134 I CB 0.886 38.864 38.000 -0.036 0.000 1.387 134 I HN 0.310 nan 8.210 nan 0.000 0.478 135 D N 4.556 124.960 120.400 0.007 0.000 2.443 135 D HA 0.157 4.797 4.640 -0.000 0.000 0.239 135 D C -0.289 175.987 176.300 -0.041 0.000 1.136 135 D CA 0.264 54.256 54.000 -0.012 0.000 0.879 135 D CB 0.791 41.600 40.800 0.014 0.000 1.195 135 D HN 0.594 nan 8.370 nan 0.000 0.443 136 T N -0.375 114.126 114.554 -0.089 0.000 2.916 136 T HA 0.605 4.955 4.350 -0.000 0.000 0.292 136 T C -0.286 174.272 174.700 -0.236 0.000 1.055 136 T CA -0.978 61.031 62.100 -0.152 0.000 1.009 136 T CB 1.563 70.357 68.868 -0.123 0.000 1.118 136 T HN 0.221 nan 8.240 nan 0.000 0.497 137 T N 2.280 116.542 114.554 -0.486 0.000 2.795 137 T HA 0.551 4.901 4.350 -0.000 0.000 0.282 137 T C -0.301 174.092 174.700 -0.511 0.000 0.980 137 T CA -0.583 61.181 62.100 -0.560 0.000 1.012 137 T CB 0.653 69.008 68.868 -0.856 0.000 0.936 137 T HN 0.708 nan 8.240 nan 0.000 0.457 138 I N 4.421 124.876 120.570 -0.192 0.000 2.354 138 I HA 0.500 4.670 4.170 -0.000 0.000 0.292 138 I C -0.796 175.345 176.117 0.039 0.000 0.989 138 I CA -0.713 60.571 61.300 -0.026 0.000 1.188 138 I CB 0.536 38.581 38.000 0.076 0.000 1.342 138 I HN 0.419 nan 8.210 nan 0.000 0.457 139 M N 6.266 125.949 119.600 0.138 0.000 2.619 139 M HA 0.523 5.003 4.480 -0.000 0.000 0.297 139 M C -0.578 175.795 176.300 0.122 0.000 1.229 139 M CA -0.654 54.737 55.300 0.153 0.000 0.860 139 M CB 1.873 34.630 32.600 0.263 0.000 1.741 139 M HN 0.577 nan 8.290 nan 0.000 0.462 140 A N 1.781 124.651 122.820 0.082 0.000 2.309 140 A HA 0.516 4.836 4.320 -0.000 0.000 0.298 140 A C -0.194 177.429 177.584 0.066 0.000 1.165 140 A CA -0.514 51.562 52.037 0.065 0.000 0.821 140 A CB 0.338 19.362 19.000 0.040 0.000 1.102 140 A HN 0.766 nan 8.150 nan 0.000 0.500 141 K N 1.724 122.163 120.400 0.065 0.000 2.270 141 K HA 0.139 4.459 4.320 -0.000 0.000 0.276 141 K C -0.719 175.886 176.600 0.008 0.000 1.023 141 K CA 0.076 56.384 56.287 0.036 0.000 0.955 141 K CB 0.535 33.062 32.500 0.044 0.000 0.975 141 K HN 0.745 nan 8.250 nan 0.000 0.471 142 N N 2.776 121.450 118.700 -0.045 0.000 2.527 142 N HA 0.105 4.845 4.740 -0.000 0.000 0.236 142 N C -1.263 174.112 175.510 -0.225 0.000 0.999 142 N CA -0.345 52.640 53.050 -0.108 0.000 0.935 142 N CB 0.929 39.353 38.487 -0.105 0.000 1.132 142 N HN 0.397 nan 8.380 nan 0.000 0.511 143 E N 0.751 120.797 120.200 -0.257 0.000 2.288 143 E HA 0.484 4.834 4.350 -0.000 0.000 0.268 143 E C -0.924 175.219 176.600 -0.762 0.000 0.885 143 E CA -1.039 55.077 56.400 -0.474 0.000 0.767 143 E CB 2.512 31.986 29.700 -0.377 0.000 1.220 143 E HN 0.068 nan 8.360 nan 0.000 0.427 144 V N 3.003 122.316 119.914 -1.001 0.000 2.435 144 V HA 0.496 4.616 4.120 -0.000 0.000 0.290 144 V C -0.884 174.535 176.094 -1.124 0.000 1.030 144 V CA -0.337 61.403 62.300 -0.933 0.000 0.881 144 V CB 0.267 31.659 31.823 -0.718 0.000 0.983 144 V HN 0.515 nan 8.190 nan 0.000 0.445 145 F N 2.226 121.822 119.950 -0.590 0.000 2.675 145 F HA 0.620 5.148 4.527 0.000 0.000 0.324 145 F C 0.077 175.687 175.800 -0.318 0.000 1.106 145 F CA -0.794 56.933 58.000 -0.454 0.000 0.970 145 F CB 1.291 39.995 39.000 -0.493 0.000 1.385 145 F HN 0.516 nan 8.300 nan 0.000 0.489 146 C N 2.664 122.061 119.300 0.163 0.000 2.358 146 C HA 0.786 5.246 4.460 -0.000 0.000 0.342 146 C C 0.104 175.311 174.990 0.362 0.000 1.234 146 C CA -0.729 58.425 59.018 0.226 0.000 1.969 146 C CB -0.012 27.813 27.740 0.143 0.000 2.346 146 C HN 0.743 nan 8.230 nan 0.000 0.525 147 V N 3.828 123.983 119.914 0.401 0.000 2.901 147 V HA 0.493 4.613 4.120 -0.000 0.000 0.307 147 V C 0.103 176.282 176.094 0.143 0.000 1.084 147 V CA 0.786 63.247 62.300 0.268 0.000 1.184 147 V CB 0.119 32.014 31.823 0.120 0.000 0.941 147 V HN 1.236 nan 8.190 nan 0.000 0.493 148 Q N 4.786 124.635 119.800 0.082 0.000 2.506 148 Q HA 0.486 4.826 4.340 -0.000 0.000 0.242 148 Q C -1.354 174.654 176.000 0.014 0.000 1.060 148 Q CA -1.258 54.569 55.803 0.040 0.000 0.826 148 Q CB 0.404 29.155 28.738 0.021 0.000 1.169 148 Q HN 0.890 nan 8.270 nan 0.000 0.521 149 P HA -0.164 nan 4.420 nan 0.000 0.216 149 P C 0.651 177.947 177.300 -0.007 0.000 1.154 149 P CA 2.224 65.323 63.100 -0.001 0.000 0.865 149 P CB 0.207 31.907 31.700 -0.000 0.000 0.789 154 R N 0.989 121.393 120.500 -0.161 0.000 2.599 154 R HA 0.538 4.878 4.340 -0.000 0.000 0.295 154 R C -0.810 175.434 176.300 -0.094 0.000 0.963 154 R CA -0.669 55.270 56.100 -0.268 0.000 0.883 154 R CB 2.192 32.186 30.300 -0.510 0.000 1.171 154 R HN 0.127 nan 8.270 nan 0.000 0.450 155 K N 3.169 123.589 120.400 0.033 0.000 2.276 155 K HA 0.241 4.561 4.320 -0.000 0.000 0.283 155 K C -2.263 174.373 176.600 0.061 0.000 1.044 155 K CA -1.656 54.620 56.287 -0.018 0.000 0.944 155 K CB 0.540 32.903 32.500 -0.229 0.000 1.012 155 K HN 0.225 nan 8.250 nan 0.000 0.472 156 P HA -0.046 nan 4.420 nan 0.000 0.269 156 P C -0.715 176.633 177.300 0.081 0.000 1.215 156 P CA -0.220 62.906 63.100 0.044 0.000 0.780 156 P CB 0.519 32.226 31.700 0.013 0.000 0.898 157 A N 3.233 126.108 122.820 0.092 0.000 2.561 157 A HA 0.013 4.333 4.320 -0.000 0.000 0.234 157 A C 0.535 178.171 177.584 0.088 0.000 1.055 157 A CA 0.244 52.344 52.037 0.106 0.000 0.756 157 A CB -0.261 18.785 19.000 0.076 0.000 0.986 157 A HN 0.452 nan 8.150 nan 0.000 0.505 158 R N 0.644 121.212 120.500 0.114 0.000 2.531 158 R HA 0.452 4.792 4.340 -0.000 0.000 0.273 158 R C -0.587 175.771 176.300 0.097 0.000 1.070 158 R CA -0.363 55.802 56.100 0.108 0.000 1.112 158 R CB 0.486 30.865 30.300 0.133 0.000 1.049 158 R HN 0.672 nan 8.270 nan 0.000 0.508 159 L N 2.365 123.650 121.223 0.103 0.000 2.343 159 L HA 0.480 4.820 4.340 -0.000 0.000 0.275 159 L C -0.209 176.752 176.870 0.150 0.000 1.056 159 L CA -0.824 54.082 54.840 0.110 0.000 0.804 159 L CB 1.065 43.179 42.059 0.092 0.000 1.203 159 L HN 0.438 nan 8.230 nan 0.000 0.440 160 I N 2.096 122.774 120.570 0.181 0.000 2.465 160 I HA 0.482 4.652 4.170 -0.000 0.000 0.291 160 I C -0.919 175.387 176.117 0.315 0.000 1.014 160 I CA -0.338 61.111 61.300 0.248 0.000 1.093 160 I CB 1.975 40.115 38.000 0.233 0.000 1.267 160 I HN 0.175 nan 8.210 nan 0.000 0.431 161 V N 8.733 128.832 119.914 0.309 0.000 2.443 161 V HA 0.562 4.682 4.120 -0.000 0.000 0.293 161 V C -0.935 175.322 176.094 0.271 0.000 1.021 161 V CA -0.465 61.957 62.300 0.204 0.000 0.848 161 V CB 1.004 32.929 31.823 0.170 0.000 0.998 161 V HN 0.564 nan 8.190 nan 0.000 0.424 162 F N 5.146 125.144 119.950 0.080 0.000 2.601 162 F HA 0.962 5.489 4.527 0.000 0.000 0.309 162 F C -3.037 172.805 175.800 0.070 0.000 1.089 162 F CA -2.792 55.256 58.000 0.079 0.000 0.940 162 F CB 1.741 40.783 39.000 0.070 0.000 1.273 162 F HN 0.279 nan 8.300 nan 0.000 0.450 163 P HA 0.211 nan 4.420 nan 0.000 0.284 163 P C -1.058 176.370 177.300 0.214 0.000 1.292 163 P CA -0.189 62.983 63.100 0.120 0.000 0.800 163 P CB 1.184 32.955 31.700 0.118 0.000 1.188 164 D N -0.942 119.566 120.400 0.180 0.000 2.378 164 D HA -0.046 4.594 4.640 -0.000 0.000 0.238 164 D C 1.338 177.779 176.300 0.234 0.000 1.180 164 D CA -0.301 53.835 54.000 0.225 0.000 0.895 164 D CB 0.251 41.231 40.800 0.301 0.000 1.192 164 D HN 0.078 nan 8.370 nan 0.000 0.438 165 L N 2.988 124.333 121.223 0.204 0.000 2.043 165 L HA -0.019 4.321 4.340 -0.000 0.000 0.212 165 L C 2.049 179.071 176.870 0.254 0.000 1.075 165 L CA 2.565 57.517 54.840 0.187 0.000 0.752 165 L CB -1.162 40.964 42.059 0.112 0.000 0.891 165 L HN 0.671 nan 8.230 nan 0.000 0.432 166 G N -1.387 107.628 108.800 0.358 0.000 2.418 166 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 166 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 166 G C 1.544 176.543 174.900 0.164 0.000 1.158 166 G CA 1.056 46.361 45.100 0.342 0.000 0.771 166 G HN 0.357 nan 8.290 nan 0.000 0.545 167 V N 0.839 120.850 119.914 0.160 0.000 2.358 167 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 167 V C 2.922 179.095 176.094 0.132 0.000 1.047 167 V CA 1.918 64.290 62.300 0.119 0.000 1.035 167 V CB -0.474 31.411 31.823 0.104 0.000 0.658 167 V HN 0.336 nan 8.190 nan 0.000 0.452 168 R N -0.204 120.384 120.500 0.147 0.000 2.105 168 R HA -0.132 4.208 4.340 -0.000 0.000 0.239 168 R C 2.207 178.564 176.300 0.095 0.000 1.135 168 R CA 1.494 57.672 56.100 0.131 0.000 0.967 168 R CB -0.686 29.688 30.300 0.124 0.000 0.861 168 R HN 0.435 nan 8.270 nan 0.000 0.442 169 V N 0.520 120.482 119.914 0.081 0.000 2.343 169 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 169 V C 2.520 178.632 176.094 0.029 0.000 1.051 169 V CA 1.578 63.893 62.300 0.025 0.000 1.036 169 V CB -0.514 31.312 31.823 0.004 0.000 0.654 169 V HN 0.445 nan 8.190 nan 0.000 0.451 170 C N -0.084 119.273 119.300 0.096 0.000 2.425 170 C HA -0.142 4.318 4.460 -0.000 0.000 0.277 170 C C 2.674 177.822 174.990 0.263 0.000 1.280 170 C CA 0.895 60.046 59.018 0.222 0.000 1.744 170 C CB -1.032 26.889 27.740 0.301 0.000 1.989 170 C HN 0.622 nan 8.230 nan 0.000 0.491 171 E N 0.770 121.084 120.200 0.189 0.000 2.077 171 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 171 E C 2.165 178.873 176.600 0.180 0.000 0.989 171 E CA 1.202 57.725 56.400 0.206 0.000 0.800 171 E CB -0.129 29.701 29.700 0.217 0.000 0.746 171 E HN 0.628 nan 8.360 nan 0.000 0.452 172 K N 0.341 120.813 120.400 0.121 0.000 2.026 172 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 172 K C 2.230 178.874 176.600 0.073 0.000 1.048 172 K CA 1.425 57.768 56.287 0.094 0.000 0.929 172 K CB -0.102 32.380 32.500 -0.031 0.000 0.713 172 K HN 0.112 nan 8.250 nan 0.000 0.439 173 M N 0.264 119.857 119.600 -0.011 0.000 2.080 173 M HA -0.199 4.281 4.480 -0.000 0.000 0.260 173 M C 2.457 178.769 176.300 0.020 0.000 1.068 173 M CA 1.872 57.095 55.300 -0.128 0.000 1.109 173 M CB -0.473 31.845 32.600 -0.471 0.000 1.342 173 M HN 0.227 nan 8.290 nan 0.000 0.405 174 A N -0.509 122.444 122.820 0.222 0.000 1.970 174 A HA 0.055 4.375 4.320 -0.000 0.000 0.216 174 A C 1.887 179.567 177.584 0.160 0.000 1.170 174 A CA 1.165 53.389 52.037 0.311 0.000 0.645 174 A CB -0.169 19.069 19.000 0.396 0.000 0.816 174 A HN 0.503 nan 8.150 nan 0.000 0.447 175 L N -3.309 117.993 121.223 0.131 0.000 3.174 175 L HA 0.195 4.535 4.340 -0.000 0.000 0.283 175 L C 1.791 178.694 176.870 0.055 0.000 1.187 175 L CA 0.017 54.881 54.840 0.040 0.000 1.018 175 L CB 0.116 42.171 42.059 -0.008 0.000 1.433 175 L HN 0.439 nan 8.230 nan 0.000 0.593 176 Y N 1.423 121.731 120.300 0.014 0.000 2.128 176 Y HA -0.329 4.221 4.550 0.000 0.000 0.284 176 Y C 2.204 178.131 175.900 0.046 0.000 1.154 176 Y CA 2.269 60.392 58.100 0.038 0.000 1.149 176 Y CB 0.101 38.571 38.460 0.017 0.000 0.976 176 Y HN 0.214 nan 8.280 nan 0.000 0.505 177 D N -0.672 119.738 120.400 0.017 0.000 2.117 177 D HA -0.171 4.469 4.640 -0.000 0.000 0.197 177 D C 2.275 178.509 176.300 -0.110 0.000 0.987 177 D CA 1.550 55.514 54.000 -0.060 0.000 0.829 177 D CB -0.284 40.531 40.800 0.024 0.000 0.961 177 D HN 0.257 nan 8.370 nan 0.000 0.460 178 V N 0.651 120.511 119.914 -0.091 0.000 2.233 178 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 178 V C 2.725 178.716 176.094 -0.172 0.000 1.050 178 V CA 2.030 64.256 62.300 -0.122 0.000 1.010 178 V CB -0.880 30.848 31.823 -0.158 0.000 0.637 178 V HN 0.327 nan 8.190 nan 0.000 0.444 179 V N -2.339 117.454 119.914 -0.202 0.000 2.913 179 V HA -0.095 4.025 4.120 -0.000 0.000 0.260 179 V C 2.029 177.985 176.094 -0.230 0.000 1.098 179 V CA 2.092 64.268 62.300 -0.206 0.000 1.121 179 V CB -0.403 31.322 31.823 -0.163 0.000 0.714 179 V HN 0.468 nan 8.190 nan 0.000 0.487 180 S N 0.268 115.824 115.700 -0.240 0.000 2.458 180 S HA 0.007 4.477 4.470 -0.000 0.000 0.223 180 S C 1.847 176.351 174.600 -0.160 0.000 1.019 180 S CA 1.384 59.460 58.200 -0.207 0.000 0.937 180 S CB 0.048 63.062 63.200 -0.309 0.000 0.788 180 S HN 0.775 nan 8.310 nan 0.000 0.511 181 T N 1.464 115.919 114.554 -0.166 0.000 3.026 181 T HA 0.290 4.640 4.350 -0.000 0.000 0.245 181 T C 1.660 176.256 174.700 -0.173 0.000 1.004 181 T CA -0.079 61.940 62.100 -0.136 0.000 1.069 181 T CB -0.118 68.694 68.868 -0.093 0.000 1.005 181 T HN 0.168 nan 8.240 nan 0.000 0.472 182 L N 1.863 122.977 121.223 -0.182 0.000 2.044 182 L HA 0.064 4.404 4.340 -0.000 0.000 0.205 182 L C -1.024 175.677 176.870 -0.282 0.000 1.075 182 L CA 1.227 55.966 54.840 -0.168 0.000 0.747 182 L CB -0.715 41.293 42.059 -0.084 0.000 0.903 182 L HN 0.102 nan 8.230 nan 0.000 0.435 183 P HA -0.220 nan 4.420 nan 0.000 0.216 183 P C 1.306 178.154 177.300 -0.753 0.000 1.150 183 P CA 1.234 63.897 63.100 -0.728 0.000 0.837 183 P CB -0.150 30.761 31.700 -1.315 0.000 0.786 184 Q N 0.010 119.416 119.800 -0.657 0.000 2.167 184 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 184 Q C 1.938 177.804 176.000 -0.222 0.000 0.970 184 Q CA 1.336 56.938 55.803 -0.335 0.000 0.855 184 Q CB -0.629 28.015 28.738 -0.156 0.000 0.911 184 Q HN 0.079 nan 8.270 nan 0.000 0.438 185 V N 0.139 119.930 119.914 -0.204 0.000 2.307 185 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 185 V C 2.544 178.554 176.094 -0.140 0.000 1.045 185 V CA 1.474 63.693 62.300 -0.135 0.000 1.024 185 V CB -0.545 31.215 31.823 -0.104 0.000 0.651 185 V HN 0.134 nan 8.190 nan 0.000 0.449 186 V N -0.709 119.092 119.914 -0.188 0.000 2.343 186 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 186 V C 2.071 178.014 176.094 -0.252 0.000 1.051 186 V CA 2.335 64.524 62.300 -0.185 0.000 1.036 186 V CB -0.450 31.253 31.823 -0.200 0.000 0.654 186 V HN 0.482 nan 8.190 nan 0.000 0.451 187 M N -1.636 117.746 119.600 -0.364 0.000 2.367 187 M HA 0.353 4.833 4.480 -0.000 0.000 0.256 187 M C 1.462 177.627 176.300 -0.224 0.000 1.091 187 M CA 0.712 55.705 55.300 -0.512 0.000 1.049 187 M CB 0.624 32.794 32.600 -0.716 0.000 1.406 187 M HN 0.462 nan 8.290 nan 0.000 0.498 188 G N 1.780 110.491 108.800 -0.148 0.000 2.634 188 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.309 188 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.309 188 G C 0.862 175.720 174.900 -0.069 0.000 1.265 188 G CA 1.027 46.084 45.100 -0.070 0.000 0.998 188 G HN 0.531 nan 8.290 nan 0.000 0.551 189 S N -0.779 114.915 115.700 -0.010 0.000 2.469 189 S HA 0.005 4.475 4.470 -0.000 0.000 0.238 189 S C 2.231 176.689 174.600 -0.237 0.000 0.998 189 S CA 2.051 60.225 58.200 -0.044 0.000 0.957 189 S CB -0.200 63.111 63.200 0.185 0.000 0.764 189 S HN 0.983 nan 8.310 nan 0.000 0.514 190 S N 0.235 115.885 115.700 -0.083 0.000 2.481 190 S HA 0.084 4.554 4.470 -0.000 0.000 0.231 190 S C 0.253 174.788 174.600 -0.107 0.000 0.996 190 S CA 0.055 58.224 58.200 -0.052 0.000 0.942 190 S CB -0.425 62.853 63.200 0.131 0.000 0.768 190 S HN 0.705 nan 8.310 nan 0.000 0.520 191 Y N 2.882 123.000 120.300 -0.305 0.000 2.624 191 Y HA 0.442 4.992 4.550 -0.000 0.000 0.354 191 Y C 1.268 176.923 175.900 -0.408 0.000 1.051 191 Y CA -1.464 56.436 58.100 -0.334 0.000 1.377 191 Y CB -0.112 38.162 38.460 -0.311 0.000 1.168 191 Y HN 0.057 nan 8.280 nan 0.000 0.525 192 G N 4.343 112.688 108.800 -0.758 0.000 2.448 192 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 192 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 192 G C 1.093 175.466 174.900 -0.878 0.000 1.127 192 G CA 0.351 45.041 45.100 -0.682 0.000 0.766 192 G HN 0.634 nan 8.290 nan 0.000 0.552 193 F N 1.303 120.532 119.950 -1.201 0.000 2.604 193 F HA 0.030 4.557 4.527 0.000 0.000 0.298 193 F C 2.849 178.369 175.800 -0.466 0.000 1.131 193 F CA 0.819 58.218 58.000 -1.002 0.000 1.457 193 F CB -0.175 38.228 39.000 -0.995 0.000 1.095 193 F HN 0.378 nan 8.300 nan 0.000 0.574 194 Q N -0.489 119.050 119.800 -0.435 0.000 2.436 194 Q HA -0.129 4.211 4.340 -0.000 0.000 0.209 194 Q C -0.558 175.310 176.000 -0.219 0.000 0.965 194 Q CA 0.917 56.568 55.803 -0.253 0.000 0.910 194 Q CB -0.408 28.101 28.738 -0.382 0.000 0.980 194 Q HN 0.303 nan 8.270 nan 0.000 0.491 195 Y N 1.887 122.189 120.300 0.002 0.000 2.330 195 Y HA 0.287 4.837 4.550 -0.000 0.000 0.336 195 Y C 0.571 176.372 175.900 -0.164 0.000 1.036 195 Y CA -1.218 56.843 58.100 -0.065 0.000 1.125 195 Y CB 1.447 39.824 38.460 -0.139 0.000 1.194 195 Y HN 0.095 nan 8.280 nan 0.000 0.469 196 S N 2.994 118.471 115.700 -0.371 0.000 2.589 196 S HA 0.128 4.598 4.470 -0.000 0.000 0.265 196 S C -1.903 172.426 174.600 -0.453 0.000 1.342 196 S CA -0.934 56.605 58.200 -1.102 0.000 1.005 196 S CB 1.003 63.633 63.200 -0.950 0.000 0.909 196 S HN 0.455 nan 8.310 nan 0.000 0.555 197 P HA -0.038 nan 4.420 nan 0.000 0.216 197 P C 1.665 178.912 177.300 -0.087 0.000 1.153 197 P CA 1.867 64.873 63.100 -0.157 0.000 0.858 197 P CB -0.534 31.109 31.700 -0.095 0.000 0.789 198 G N -0.591 108.149 108.800 -0.100 0.000 2.403 198 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 198 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 198 G C 1.528 176.387 174.900 -0.068 0.000 1.154 198 G CA 0.419 45.498 45.100 -0.036 0.000 0.784 198 G HN 0.308 nan 8.290 nan 0.000 0.538 199 Q N -0.509 119.232 119.800 -0.099 0.000 2.172 199 Q HA 0.034 4.374 4.340 -0.000 0.000 0.200 199 Q C 2.571 178.421 176.000 -0.250 0.000 0.964 199 Q CA 0.708 56.462 55.803 -0.081 0.000 0.855 199 Q CB -0.086 28.694 28.738 0.071 0.000 0.918 199 Q HN 0.432 nan 8.270 nan 0.000 0.444 200 R N 0.344 120.711 120.500 -0.222 0.000 2.073 200 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 200 R C 2.092 178.289 176.300 -0.172 0.000 1.134 200 R CA 1.262 57.196 56.100 -0.277 0.000 0.952 200 R CB -0.130 30.106 30.300 -0.106 0.000 0.850 200 R HN 0.094 nan 8.270 nan 0.000 0.433 201 V N 1.312 121.159 119.914 -0.112 0.000 2.332 201 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 201 V C 2.333 178.349 176.094 -0.131 0.000 1.055 201 V CA 2.275 64.513 62.300 -0.102 0.000 1.038 201 V CB -0.603 31.197 31.823 -0.038 0.000 0.651 201 V HN 0.499 nan 8.190 nan 0.000 0.450 202 E N -0.360 119.775 120.200 -0.108 0.000 2.077 202 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 202 E C 2.095 178.622 176.600 -0.122 0.000 0.989 202 E CA 1.599 57.940 56.400 -0.097 0.000 0.800 202 E CB -0.229 29.439 29.700 -0.055 0.000 0.746 202 E HN 0.548 nan 8.360 nan 0.000 0.452 203 F N 1.046 120.803 119.950 -0.322 0.000 2.134 203 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 203 F C 1.853 177.521 175.800 -0.221 0.000 1.097 203 F CA 1.391 59.192 58.000 -0.333 0.000 1.264 203 F CB -0.124 38.492 39.000 -0.639 0.000 1.001 203 F HN 0.015 nan 8.300 nan 0.000 0.479 204 L N -0.933 120.169 121.223 -0.201 0.000 2.027 204 L HA -0.195 4.145 4.340 -0.000 0.000 0.206 204 L C 2.363 179.092 176.870 -0.235 0.000 1.074 204 L CA 0.991 55.700 54.840 -0.219 0.000 0.745 204 L CB -0.860 41.114 42.059 -0.142 0.000 0.898 204 L HN -0.030 nan 8.230 nan 0.000 0.433 205 V N 0.097 119.847 119.914 -0.272 0.000 2.295 205 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 205 V C 2.231 178.211 176.094 -0.190 0.000 1.049 205 V CA 1.901 64.016 62.300 -0.308 0.000 1.024 205 V CB -0.740 30.769 31.823 -0.523 0.000 0.648 205 V HN 0.465 nan 8.190 nan 0.000 0.447 206 N N 0.144 118.716 118.700 -0.214 0.000 2.104 206 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 206 N C 1.918 177.300 175.510 -0.214 0.000 1.024 206 N CA 1.998 54.936 53.050 -0.187 0.000 0.853 206 N CB -0.687 37.691 38.487 -0.181 0.000 1.008 206 N HN 0.475 nan 8.380 nan 0.000 0.424 207 T N 0.372 114.723 114.554 -0.338 0.000 2.737 207 T HA -0.134 4.216 4.350 -0.000 0.000 0.265 207 T C 1.506 176.127 174.700 -0.133 0.000 1.038 207 T CA 0.644 62.550 62.100 -0.324 0.000 1.144 207 T CB -0.233 68.320 68.868 -0.526 0.000 0.866 207 T HN 0.407 nan 8.240 nan 0.000 0.434 208 W N 2.347 123.492 121.300 -0.259 0.000 2.333 208 W HA -0.129 4.531 4.660 0.000 0.000 0.316 208 W C 2.009 178.441 176.519 -0.147 0.000 1.215 208 W CA 1.327 58.561 57.345 -0.185 0.000 1.278 208 W CB -0.273 29.072 29.460 -0.192 0.000 1.154 208 W HN 0.241 nan 8.180 nan 0.000 0.486 209 K N 0.237 120.666 120.400 0.048 0.000 2.152 209 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 209 K C 2.169 178.715 176.600 -0.091 0.000 1.048 209 K CA 1.996 58.269 56.287 -0.024 0.000 0.933 209 K CB -0.412 32.075 32.500 -0.021 0.000 0.721 209 K HN 0.133 nan 8.250 nan 0.000 0.447 210 S N 0.533 116.165 115.700 -0.114 0.000 2.453 210 S HA -0.020 4.450 4.470 -0.000 0.000 0.231 210 S C 0.586 175.107 174.600 -0.132 0.000 1.005 210 S CA 0.333 58.465 58.200 -0.113 0.000 0.949 210 S CB 0.061 63.193 63.200 -0.114 0.000 0.774 210 S HN -0.020 nan 8.310 nan 0.000 0.510 211 K N 1.763 122.047 120.400 -0.193 0.000 2.185 211 K HA 0.347 4.667 4.320 -0.000 0.000 0.271 211 K C 0.674 177.155 176.600 -0.199 0.000 1.013 211 K CA -0.369 55.790 56.287 -0.212 0.000 0.943 211 K CB 0.754 33.069 32.500 -0.308 0.000 0.998 211 K HN 0.154 nan 8.250 nan 0.000 0.468 212 K N 0.945 121.254 120.400 -0.150 0.000 2.076 212 K HA 0.007 4.327 4.320 -0.000 0.000 0.204 212 K C 0.008 176.527 176.600 -0.135 0.000 1.051 212 K CA 0.922 57.139 56.287 -0.117 0.000 0.949 212 K CB 0.245 32.696 32.500 -0.082 0.000 0.726 212 K HN 0.469 nan 8.250 nan 0.000 0.443 213 N N 1.397 120.002 118.700 -0.158 0.000 2.727 213 N HA 0.195 4.935 4.740 -0.000 0.000 0.252 213 N C -2.868 172.498 175.510 -0.241 0.000 1.283 213 N CA -1.013 51.941 53.050 -0.159 0.000 0.782 213 N CB 1.852 40.286 38.487 -0.088 0.000 1.199 213 N HN 0.033 nan 8.380 nan 0.000 0.520 214 P HA 0.103 nan 4.420 nan 0.000 0.271 214 P C -0.276 176.651 177.300 -0.623 0.000 1.216 214 P CA -0.175 62.431 63.100 -0.823 0.000 0.776 214 P CB 1.191 31.763 31.700 -1.881 0.000 0.881 215 M N 2.335 121.695 119.600 -0.399 0.000 2.457 215 M HA 0.660 5.140 4.480 -0.000 0.000 0.300 215 M C -1.187 175.083 176.300 -0.049 0.000 1.141 215 M CA -0.373 54.809 55.300 -0.197 0.000 0.901 215 M CB 2.528 35.071 32.600 -0.096 0.000 1.687 215 M HN 0.533 nan 8.290 nan 0.000 0.449 216 G N 3.631 112.509 108.800 0.131 0.000 2.612 216 G HA2 0.811 4.771 3.960 -0.000 0.000 0.298 216 G HA3 0.811 4.771 3.960 -0.000 0.000 0.298 216 G C -1.957 173.024 174.900 0.135 0.000 1.336 216 G CA -0.604 44.591 45.100 0.158 0.000 0.953 216 G HN 0.799 nan 8.290 nan 0.000 0.482 217 F N -0.061 119.854 119.950 -0.058 0.000 2.619 217 F HA 0.797 5.324 4.527 0.000 0.000 0.308 217 F C -0.160 175.627 175.800 -0.023 0.000 1.097 217 F CA -1.506 56.457 58.000 -0.061 0.000 0.953 217 F CB 1.549 40.497 39.000 -0.087 0.000 1.287 217 F HN 0.604 nan 8.300 nan 0.000 0.446 218 S N 1.542 117.298 115.700 0.092 0.000 2.578 218 S HA 0.566 5.036 4.470 -0.000 0.000 0.283 218 S C -1.440 173.342 174.600 0.303 0.000 1.195 218 S CA -0.539 57.699 58.200 0.064 0.000 1.050 218 S CB 1.368 64.593 63.200 0.043 0.000 1.012 218 S HN 0.842 nan 8.310 nan 0.000 0.511 219 Y N 1.557 121.960 120.300 0.170 0.000 2.334 219 Y HA 0.406 4.956 4.550 -0.000 0.000 0.336 219 Y C -0.701 175.327 175.900 0.213 0.000 0.960 219 Y CA -0.834 57.450 58.100 0.306 0.000 1.164 219 Y CB 1.168 39.929 38.460 0.503 0.000 1.155 219 Y HN 0.836 nan 8.280 nan 0.000 0.478 220 D N 4.512 124.769 120.400 -0.237 0.000 2.380 220 D HA 0.175 4.815 4.640 -0.000 0.000 0.230 220 D C -0.633 175.490 176.300 -0.295 0.000 1.154 220 D CA 0.058 53.960 54.000 -0.163 0.000 0.859 220 D CB 0.794 41.528 40.800 -0.110 0.000 1.045 220 D HN 0.483 nan 8.370 nan 0.000 0.495 221 T N 3.790 118.357 114.554 0.021 0.000 2.832 221 T HA 0.149 4.499 4.350 -0.000 0.000 0.296 221 T C 0.484 175.269 174.700 0.141 0.000 0.968 221 T CA -0.508 61.696 62.100 0.173 0.000 1.107 221 T CB 0.722 69.916 68.868 0.543 0.000 0.916 221 T HN 0.296 nan 8.240 nan 0.000 0.517 222 R N 2.280 122.825 120.500 0.075 0.000 2.351 222 R HA 0.150 4.490 4.340 -0.000 0.000 0.318 222 R C 0.110 176.513 176.300 0.171 0.000 1.055 222 R CA -0.260 55.880 56.100 0.067 0.000 0.968 222 R CB -0.568 29.711 30.300 -0.035 0.000 0.974 222 R HN 0.904 nan 8.270 nan 0.000 0.439 223 C N 6.609 126.043 119.300 0.223 0.000 2.865 223 C HA -0.189 4.271 4.460 -0.000 0.000 0.254 223 C C 1.236 176.439 174.990 0.356 0.000 1.239 223 C CA 0.133 59.336 59.018 0.309 0.000 2.512 223 C CB -2.233 25.740 27.740 0.389 0.000 1.556 223 C HN 1.059 nan 8.230 nan 0.000 0.433 224 F N 2.125 122.197 119.950 0.202 0.000 2.069 224 F HA -0.092 4.435 4.527 0.000 0.000 0.298 224 F C 1.851 177.764 175.800 0.188 0.000 1.113 224 F CA 2.443 60.561 58.000 0.198 0.000 1.214 224 F CB -0.098 39.005 39.000 0.173 0.000 0.978 224 F HN 0.607 nan 8.300 nan 0.000 0.474 225 D N -0.227 120.420 120.400 0.411 0.000 2.133 225 D HA -0.201 4.439 4.640 -0.000 0.000 0.192 225 D C 2.410 178.785 176.300 0.125 0.000 1.001 225 D CA 1.920 56.082 54.000 0.271 0.000 0.844 225 D CB -0.705 40.253 40.800 0.262 0.000 0.944 225 D HN 0.247 nan 8.370 nan 0.000 0.447 226 S N -0.543 115.246 115.700 0.149 0.000 2.447 226 S HA -0.101 4.369 4.470 -0.000 0.000 0.233 226 S C 2.010 176.569 174.600 -0.070 0.000 1.006 226 S CA 1.367 59.560 58.200 -0.012 0.000 0.957 226 S CB -0.258 62.913 63.200 -0.049 0.000 0.773 226 S HN 0.543 nan 8.310 nan 0.000 0.507 227 T N -0.520 114.080 114.554 0.077 0.000 3.067 227 T HA 0.131 4.481 4.350 -0.000 0.000 0.261 227 T C 0.629 175.267 174.700 -0.103 0.000 1.110 227 T CA 0.005 62.142 62.100 0.063 0.000 1.113 227 T CB -0.425 68.441 68.868 -0.003 0.000 0.917 227 T HN 0.047 nan 8.240 nan 0.000 0.499 228 V N 4.085 123.903 119.914 -0.159 0.000 2.485 228 V HA 0.307 4.427 4.120 -0.000 0.000 0.287 228 V C 1.143 177.191 176.094 -0.077 0.000 1.022 228 V CA -0.131 62.096 62.300 -0.122 0.000 1.067 228 V CB -0.040 31.754 31.823 -0.047 0.000 0.967 228 V HN 0.729 nan 8.190 nan 0.000 0.479 229 T N 0.764 115.281 114.554 -0.061 0.000 2.897 229 T HA 0.337 4.687 4.350 -0.000 0.000 0.278 229 T C 1.045 175.729 174.700 -0.027 0.000 0.981 229 T CA -0.288 61.781 62.100 -0.052 0.000 0.973 229 T CB 1.556 70.386 68.868 -0.064 0.000 1.092 229 T HN 0.664 nan 8.240 nan 0.000 0.543 230 E N 0.572 120.762 120.200 -0.016 0.000 2.049 230 E HA -0.313 4.037 4.350 -0.000 0.000 0.198 230 E C 1.972 178.574 176.600 0.003 0.000 1.007 230 E CA 1.903 58.306 56.400 0.005 0.000 0.809 230 E CB -0.302 29.410 29.700 0.019 0.000 0.749 230 E HN 0.780 nan 8.360 nan 0.000 0.450 231 N N 0.613 119.304 118.700 -0.015 0.000 2.037 231 N HA -0.234 4.506 4.740 -0.000 0.000 0.196 231 N C 1.484 176.999 175.510 0.008 0.000 1.034 231 N CA 2.341 55.383 53.050 -0.013 0.000 0.861 231 N CB -0.186 38.272 38.487 -0.047 0.000 1.039 231 N HN 0.177 nan 8.380 nan 0.000 0.427 232 D N -0.024 120.379 120.400 0.005 0.000 2.104 232 D HA -0.147 4.493 4.640 -0.000 0.000 0.194 232 D C 2.019 178.327 176.300 0.013 0.000 0.994 232 D CA 1.226 55.242 54.000 0.026 0.000 0.830 232 D CB -0.352 40.457 40.800 0.016 0.000 0.959 232 D HN 0.478 nan 8.370 nan 0.000 0.452 233 I N 0.552 121.133 120.570 0.018 0.000 2.315 233 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 233 I C 2.520 178.646 176.117 0.016 0.000 1.117 233 I CA 0.855 62.174 61.300 0.032 0.000 1.404 233 I CB -0.096 37.948 38.000 0.073 0.000 1.071 233 I HN -0.101 nan 8.210 nan 0.000 0.419 234 R N 0.199 120.707 120.500 0.014 0.000 2.075 234 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 234 R C 2.354 178.633 176.300 -0.036 0.000 1.126 234 R CA 1.163 57.265 56.100 0.002 0.000 0.963 234 R CB -0.515 29.791 30.300 0.011 0.000 0.858 234 R HN 0.208 nan 8.270 nan 0.000 0.435 235 V N 1.472 121.367 119.914 -0.030 0.000 2.332 235 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 235 V C 2.005 178.004 176.094 -0.158 0.000 1.055 235 V CA 1.889 64.157 62.300 -0.054 0.000 1.038 235 V CB -0.446 31.382 31.823 0.009 0.000 0.651 235 V HN 0.343 nan 8.190 nan 0.000 0.450 236 E N -0.428 119.645 120.200 -0.211 0.000 2.070 236 E HA -0.266 4.084 4.350 -0.000 0.000 0.197 236 E C 2.403 178.500 176.600 -0.839 0.000 1.004 236 E CA 1.488 57.593 56.400 -0.491 0.000 0.805 236 E CB -0.186 29.273 29.700 -0.402 0.000 0.744 236 E HN 0.560 nan 8.360 nan 0.000 0.451 237 E N 0.454 120.396 120.200 -0.429 0.000 2.077 237 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 237 E C 2.172 178.684 176.600 -0.146 0.000 0.989 237 E CA 1.546 57.818 56.400 -0.214 0.000 0.800 237 E CB -0.058 29.665 29.700 0.038 0.000 0.746 237 E HN 0.249 nan 8.360 nan 0.000 0.452 238 S N 0.520 116.146 115.700 -0.124 0.000 2.383 238 S HA -0.168 4.302 4.470 -0.000 0.000 0.229 238 S C 2.200 176.749 174.600 -0.085 0.000 1.030 238 S CA 1.291 59.447 58.200 -0.072 0.000 1.002 238 S CB -0.686 62.480 63.200 -0.057 0.000 0.829 238 S HN 0.308 nan 8.310 nan 0.000 0.467 239 I N 0.221 120.689 120.570 -0.171 0.000 2.179 239 I HA -0.158 4.012 4.170 -0.000 0.000 0.242 239 I C 2.417 178.518 176.117 -0.028 0.000 1.088 239 I CA 1.495 62.713 61.300 -0.137 0.000 1.357 239 I CB -0.588 37.298 38.000 -0.190 0.000 1.051 239 I HN 0.237 nan 8.210 nan 0.000 0.409 240 Y N 1.060 121.358 120.300 -0.004 0.000 2.165 240 Y HA -0.227 4.323 4.550 0.000 0.000 0.286 240 Y C 2.683 178.588 175.900 0.008 0.000 1.155 240 Y CA 0.730 58.831 58.100 0.002 0.000 1.164 240 Y CB -1.114 37.361 38.460 0.025 0.000 0.978 240 Y HN 0.247 nan 8.280 nan 0.000 0.513 241 Q N -1.107 118.782 119.800 0.147 0.000 2.364 241 Q HA -0.124 4.216 4.340 -0.000 0.000 0.207 241 Q C 2.387 178.418 176.000 0.052 0.000 0.970 241 Q CA 0.994 56.850 55.803 0.089 0.000 0.888 241 Q CB -0.843 27.933 28.738 0.063 0.000 0.951 241 Q HN 0.528 nan 8.270 nan 0.000 0.469 242 C N 0.509 119.832 119.300 0.038 0.000 2.411 242 C HA -0.117 4.343 4.460 -0.000 0.000 0.279 242 C C 1.696 176.702 174.990 0.026 0.000 1.288 242 C CA -0.485 58.545 59.018 0.021 0.000 1.764 242 C CB -0.835 26.908 27.740 0.005 0.000 1.974 242 C HN 0.434 nan 8.230 nan 0.000 0.498 243 C N 1.900 121.225 119.300 0.041 0.000 2.703 243 C HA 0.111 4.571 4.460 -0.000 0.000 0.411 243 C C 0.549 175.557 174.990 0.031 0.000 1.290 243 C CA -0.221 58.818 59.018 0.034 0.000 2.054 243 C CB -0.349 27.417 27.740 0.043 0.000 2.732 243 C HN 0.514 nan 8.230 nan 0.000 0.650 244 D N 1.908 122.321 120.400 0.022 0.000 2.338 244 D HA 0.466 5.106 4.640 -0.000 0.000 0.255 244 D C -0.593 175.724 176.300 0.028 0.000 1.237 244 D CA 0.394 54.407 54.000 0.022 0.000 0.883 244 D CB 0.021 40.830 40.800 0.015 0.000 1.087 244 D HN 0.395 nan 8.370 nan 0.000 0.485 245 L N 2.015 123.259 121.223 0.035 0.000 2.376 245 L HA 0.666 5.006 4.340 -0.000 0.000 0.258 245 L C 0.252 177.151 176.870 0.048 0.000 1.013 245 L CA -1.502 53.365 54.840 0.046 0.000 0.822 245 L CB 1.824 43.917 42.059 0.058 0.000 1.388 245 L HN 0.333 nan 8.230 nan 0.000 0.413 246 A N 1.554 124.409 122.820 0.058 0.000 2.445 246 A HA 0.380 4.700 4.320 -0.000 0.000 0.242 246 A C -1.802 175.822 177.584 0.068 0.000 1.075 246 A CA -0.871 51.204 52.037 0.063 0.000 0.777 246 A CB -0.133 18.912 19.000 0.076 0.000 1.013 246 A HN 0.635 nan 8.150 nan 0.000 0.493 247 P HA -0.184 nan 4.420 nan 0.000 0.217 247 P C 1.056 178.387 177.300 0.052 0.000 1.151 247 P CA 1.657 64.785 63.100 0.046 0.000 0.849 247 P CB 0.195 31.918 31.700 0.038 0.000 0.787 248 E N -0.969 119.286 120.200 0.093 0.000 2.152 248 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 248 E C 2.048 178.726 176.600 0.130 0.000 0.983 248 E CA 0.894 57.366 56.400 0.120 0.000 0.818 248 E CB -0.364 29.501 29.700 0.276 0.000 0.758 248 E HN 0.159 nan 8.360 nan 0.000 0.467 249 A N 1.653 124.580 122.820 0.178 0.000 1.873 249 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 249 A C 2.060 179.695 177.584 0.084 0.000 1.186 249 A CA 1.075 53.218 52.037 0.176 0.000 0.616 249 A CB -0.337 18.756 19.000 0.156 0.000 0.823 249 A HN 0.078 nan 8.150 nan 0.000 0.442 250 R N -1.020 119.517 120.500 0.060 0.000 2.091 250 R HA -0.193 4.147 4.340 -0.000 0.000 0.238 250 R C 2.477 178.779 176.300 0.003 0.000 1.136 250 R CA 1.737 57.862 56.100 0.041 0.000 0.959 250 R CB -0.293 30.028 30.300 0.035 0.000 0.856 250 R HN 0.661 nan 8.270 nan 0.000 0.437 251 Q N 0.725 120.503 119.800 -0.035 0.000 2.046 251 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 251 Q C 1.986 177.892 176.000 -0.158 0.000 0.975 251 Q CA 1.906 57.654 55.803 -0.091 0.000 0.836 251 Q CB -0.236 28.434 28.738 -0.113 0.000 0.896 251 Q HN 0.311 nan 8.270 nan 0.000 0.428 252 A N 0.249 122.923 122.820 -0.243 0.000 1.908 252 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 252 A C 2.138 179.646 177.584 -0.127 0.000 1.181 252 A CA 1.566 53.400 52.037 -0.338 0.000 0.627 252 A CB -0.786 17.845 19.000 -0.615 0.000 0.818 252 A HN 0.494 nan 8.150 nan 0.000 0.445 253 I N -0.541 120.022 120.570 -0.012 0.000 2.226 253 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 253 I C 2.543 178.704 176.117 0.073 0.000 1.100 253 I CA 1.795 63.145 61.300 0.084 0.000 1.374 253 I CB -0.226 37.861 38.000 0.144 0.000 1.057 253 I HN 0.391 nan 8.210 nan 0.000 0.413 254 K N 0.513 120.929 120.400 0.027 0.000 2.032 254 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 254 K C 2.350 178.933 176.600 -0.029 0.000 1.048 254 K CA 2.000 58.295 56.287 0.013 0.000 0.927 254 K CB -0.147 32.349 32.500 -0.008 0.000 0.712 254 K HN 0.140 nan 8.250 nan 0.000 0.441 255 S N 0.582 116.233 115.700 -0.081 0.000 2.368 255 S HA -0.061 4.409 4.470 -0.000 0.000 0.224 255 S C 1.964 176.472 174.600 -0.153 0.000 1.029 255 S CA 0.998 59.127 58.200 -0.118 0.000 0.988 255 S CB -0.185 62.915 63.200 -0.166 0.000 0.838 255 S HN 0.349 nan 8.310 nan 0.000 0.462 256 L N 0.735 121.838 121.223 -0.200 0.000 2.141 256 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 256 L C 2.713 179.275 176.870 -0.514 0.000 1.094 256 L CA 1.314 55.907 54.840 -0.411 0.000 0.763 256 L CB -0.906 40.861 42.059 -0.486 0.000 0.908 256 L HN 0.313 nan 8.230 nan 0.000 0.437 257 T N -0.830 113.635 114.554 -0.147 0.000 2.643 257 T HA -0.153 4.197 4.350 -0.000 0.000 0.264 257 T C 1.784 176.487 174.700 0.004 0.000 1.045 257 T CA 1.239 63.383 62.100 0.074 0.000 1.155 257 T CB -0.115 68.865 68.868 0.186 0.000 0.863 257 T HN 0.298 nan 8.240 nan 0.000 0.420 258 E N 1.136 121.324 120.200 -0.021 0.000 2.077 258 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 258 E C 2.338 178.918 176.600 -0.034 0.000 0.989 258 E CA 1.048 57.439 56.400 -0.016 0.000 0.800 258 E CB -0.149 29.539 29.700 -0.019 0.000 0.746 258 E HN 0.471 nan 8.360 nan 0.000 0.452 259 R N -0.605 119.846 120.500 -0.081 0.000 2.237 259 R HA 0.112 4.452 4.340 -0.000 0.000 0.195 259 R C 1.846 178.086 176.300 -0.101 0.000 0.956 259 R CA 0.202 56.256 56.100 -0.077 0.000 1.029 259 R CB 0.270 30.518 30.300 -0.087 0.000 0.972 259 R HN 0.039 nan 8.270 nan 0.000 0.493 260 L N -1.998 119.120 121.223 -0.174 0.000 2.666 260 L HA 0.197 4.537 4.340 -0.000 0.000 0.184 260 L C 1.281 178.123 176.870 -0.046 0.000 1.092 260 L CA 0.881 55.616 54.840 -0.175 0.000 0.857 260 L CB -0.328 41.550 42.059 -0.302 0.000 1.281 260 L HN -0.124 nan 8.230 nan 0.000 0.489 261 Y N 0.288 120.606 120.300 0.029 0.000 2.224 261 Y HA -0.061 4.489 4.550 -0.000 0.000 0.289 261 Y C 2.552 178.461 175.900 0.015 0.000 1.146 261 Y CA 1.367 59.492 58.100 0.042 0.000 1.182 261 Y CB -0.935 37.576 38.460 0.086 0.000 0.983 261 Y HN 0.135 nan 8.280 nan 0.000 0.524 262 I N -0.962 119.695 120.570 0.144 0.000 2.394 262 I HA -0.028 4.142 4.170 -0.000 0.000 0.251 262 I C 1.230 177.358 176.117 0.020 0.000 1.136 262 I CA 1.325 62.671 61.300 0.075 0.000 1.425 262 I CB -0.274 37.764 38.000 0.063 0.000 1.079 262 I HN 0.304 nan 8.210 nan 0.000 0.425 263 G N -1.142 107.644 108.800 -0.023 0.000 2.341 263 G HA2 0.472 4.432 3.960 -0.000 0.000 0.293 263 G HA3 0.472 4.432 3.960 -0.000 0.000 0.293 263 G C -0.971 173.759 174.900 -0.284 0.000 1.298 263 G CA -0.229 44.779 45.100 -0.153 0.000 0.868 263 G HN 0.414 nan 8.290 nan 0.000 0.540 264 G N -0.906 107.416 108.800 -0.797 0.000 2.328 264 G HA2 0.685 4.645 3.960 -0.000 0.000 0.299 264 G HA3 0.685 4.645 3.960 -0.000 0.000 0.299 264 G C -3.472 170.828 174.900 -1.000 0.000 1.435 264 G CA 0.077 44.719 45.100 -0.764 0.000 0.865 264 G HN 0.784 nan 8.290 nan 0.000 0.601 265 P HA 0.403 nan 4.420 nan 0.000 0.271 265 P C -0.387 176.828 177.300 -0.141 0.000 1.218 265 P CA -0.106 62.895 63.100 -0.164 0.000 0.780 265 P CB 1.086 32.810 31.700 0.039 0.000 0.901 266 L N 2.519 123.703 121.223 -0.065 0.000 2.296 266 L HA 0.437 4.777 4.340 -0.000 0.000 0.286 266 L C 0.566 177.444 176.870 0.014 0.000 1.023 266 L CA -0.152 54.678 54.840 -0.017 0.000 0.812 266 L CB 1.435 43.531 42.059 0.061 0.000 1.223 266 L HN 0.285 nan 8.230 nan 0.000 0.421 267 T N 1.797 116.336 114.554 -0.025 0.000 2.824 267 T HA 0.312 4.662 4.350 -0.000 0.000 0.282 267 T C -0.246 174.434 174.700 -0.033 0.000 0.993 267 T CA -0.818 61.269 62.100 -0.022 0.000 0.967 267 T CB 1.445 70.285 68.868 -0.046 0.000 0.960 267 T HN 0.649 nan 8.240 nan 0.000 0.441 268 N N 0.860 119.558 118.700 -0.004 0.000 2.379 268 N HA 0.131 4.871 4.740 -0.000 0.000 0.260 268 N C 1.491 176.990 175.510 -0.018 0.000 1.254 268 N CA -0.224 52.823 53.050 -0.005 0.000 0.958 268 N CB 0.278 38.773 38.487 0.013 0.000 1.208 268 N HN 0.448 nan 8.380 nan 0.000 0.532 269 S N -0.666 115.032 115.700 -0.004 0.000 2.442 269 S HA -0.122 4.348 4.470 -0.000 0.000 0.236 269 S C 1.021 175.617 174.600 -0.007 0.000 1.007 269 S CA 0.734 58.935 58.200 0.001 0.000 0.965 269 S CB -0.438 62.778 63.200 0.026 0.000 0.773 269 S HN 0.631 nan 8.310 nan 0.000 0.504 270 K N 0.687 121.084 120.400 -0.005 0.000 2.505 270 K HA 0.226 4.546 4.320 -0.000 0.000 0.192 270 K C 1.251 177.843 176.600 -0.013 0.000 1.025 270 K CA 0.374 56.657 56.287 -0.007 0.000 1.086 270 K CB -0.283 32.217 32.500 -0.001 0.000 0.840 270 K HN 0.591 nan 8.250 nan 0.000 0.514 271 G N 1.671 110.458 108.800 -0.020 0.000 2.159 271 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.256 271 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.256 271 G C -0.160 174.734 174.900 -0.010 0.000 0.977 271 G CA 0.031 45.117 45.100 -0.025 0.000 0.652 271 G HN 0.384 nan 8.290 nan 0.000 0.531 272 Q N 0.181 119.982 119.800 0.001 0.000 2.299 272 Q HA 0.289 4.629 4.340 -0.000 0.000 0.246 272 Q C 0.446 176.463 176.000 0.028 0.000 0.935 272 Q CA -0.493 55.320 55.803 0.016 0.000 0.887 272 Q CB 0.866 29.617 28.738 0.021 0.000 1.223 272 Q HN 0.419 nan 8.270 nan 0.000 0.439 273 N N 1.559 120.283 118.700 0.039 0.000 2.431 273 N HA -0.001 4.739 4.740 -0.000 0.000 0.265 273 N C -0.244 175.321 175.510 0.091 0.000 1.184 273 N CA -0.349 52.736 53.050 0.059 0.000 0.943 273 N CB 0.563 39.086 38.487 0.059 0.000 1.080 273 N HN 0.590 nan 8.380 nan 0.000 0.477 274 C N 2.963 122.337 119.300 0.123 0.000 2.634 274 C HA 0.397 4.857 4.460 -0.000 0.000 0.268 274 C C 1.226 176.401 174.990 0.308 0.000 1.322 274 C CA 0.584 59.730 59.018 0.213 0.000 1.737 274 C CB -1.065 26.821 27.740 0.244 0.000 1.976 274 C HN 0.971 nan 8.230 nan 0.000 0.547 275 G N -1.308 107.602 108.800 0.184 0.000 2.334 275 G HA2 0.247 4.207 3.960 -0.000 0.000 0.249 275 G HA3 0.247 4.207 3.960 -0.000 0.000 0.249 275 G C -2.033 172.912 174.900 0.075 0.000 1.327 275 G CA -0.416 44.751 45.100 0.110 0.000 0.979 275 G HN 0.052 nan 8.290 nan 0.000 0.471 276 Y N 0.647 120.835 120.300 -0.187 0.000 2.504 276 Y HA 0.758 5.308 4.550 0.000 0.000 0.344 276 Y C -0.031 175.725 175.900 -0.242 0.000 1.023 276 Y CA -0.861 57.143 58.100 -0.161 0.000 1.020 276 Y CB 1.980 40.358 38.460 -0.136 0.000 1.282 276 Y HN 0.709 nan 8.280 nan 0.000 0.454 277 R N 4.827 125.028 120.500 -0.499 0.000 2.393 277 R HA 0.521 4.861 4.340 -0.000 0.000 0.310 277 R C -0.642 175.421 176.300 -0.395 0.000 0.968 277 R CA -0.549 55.245 56.100 -0.510 0.000 0.867 277 R CB 0.943 31.027 30.300 -0.360 0.000 1.124 277 R HN 0.931 nan 8.270 nan 0.000 0.450 278 R N 2.983 123.247 120.500 -0.394 0.000 2.629 278 R HA 0.199 4.539 4.340 -0.000 0.000 0.386 278 R C -0.371 175.794 176.300 -0.226 0.000 1.071 278 R CA -0.251 55.732 56.100 -0.194 0.000 1.104 278 R CB 0.383 30.624 30.300 -0.099 0.000 1.370 278 R HN 0.769 nan 8.270 nan 0.000 0.574 279 C N -1.845 117.268 119.300 -0.311 0.000 3.301 279 C HA 0.612 5.072 4.460 -0.000 0.000 0.367 279 C C -0.135 174.796 174.990 -0.099 0.000 1.980 279 C CA -1.531 57.360 59.018 -0.212 0.000 1.349 279 C CB 1.047 28.610 27.740 -0.294 0.000 2.412 279 C HN 0.285 nan 8.230 nan 0.000 0.451 280 R N 1.239 121.730 120.500 -0.016 0.000 2.502 280 R HA 0.456 4.796 4.340 -0.000 0.000 0.292 280 R C 0.052 176.408 176.300 0.092 0.000 0.998 280 R CA 0.932 57.073 56.100 0.068 0.000 1.056 280 R CB -0.211 30.168 30.300 0.131 0.000 0.939 280 R HN 1.142 nan 8.270 nan 0.000 0.411 281 A N 3.735 126.623 122.820 0.114 0.000 2.362 281 A HA 0.224 4.544 4.320 -0.000 0.000 0.276 281 A C 0.958 178.643 177.584 0.167 0.000 1.153 281 A CA 0.071 52.197 52.037 0.148 0.000 0.813 281 A CB 0.395 19.492 19.000 0.161 0.000 1.081 281 A HN 1.007 nan 8.150 nan 0.000 0.507 282 S N 2.044 117.857 115.700 0.188 0.000 2.522 282 S HA 0.088 4.558 4.470 -0.000 0.000 0.227 282 S C 1.036 175.738 174.600 0.170 0.000 0.986 282 S CA 0.697 59.005 58.200 0.180 0.000 0.929 282 S CB 0.098 63.413 63.200 0.190 0.000 0.769 282 S HN 1.249 nan 8.310 nan 0.000 0.529 283 G N 1.784 110.707 108.800 0.205 0.000 4.757 283 G HA2 0.523 4.483 3.960 -0.000 0.000 0.303 283 G HA3 0.523 4.483 3.960 -0.000 0.000 0.303 283 G C -0.199 174.833 174.900 0.219 0.000 1.318 283 G CA -0.135 45.093 45.100 0.213 0.000 1.020 283 G HN 0.559 nan 8.290 nan 0.000 0.589 284 V N -2.428 117.597 119.914 0.185 0.000 3.046 284 V HA 0.589 4.709 4.120 -0.000 0.000 0.316 284 V C 1.413 177.587 176.094 0.133 0.000 1.104 284 V CA -0.950 61.474 62.300 0.207 0.000 1.006 284 V CB 1.720 33.737 31.823 0.323 0.000 1.058 284 V HN 0.072 nan 8.190 nan 0.000 0.440 285 L N 2.571 123.885 121.223 0.151 0.000 2.043 285 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 285 L C 2.403 179.287 176.870 0.023 0.000 1.075 285 L CA 3.174 58.082 54.840 0.113 0.000 0.752 285 L CB -0.838 41.311 42.059 0.149 0.000 0.891 285 L HN 1.115 nan 8.230 nan 0.000 0.432 286 T N -5.685 108.806 114.554 -0.107 0.000 3.160 286 T HA -0.029 4.321 4.350 -0.000 0.000 0.257 286 T C 1.574 176.219 174.700 -0.091 0.000 1.147 286 T CA 0.812 62.795 62.100 -0.195 0.000 1.064 286 T CB -0.803 67.766 68.868 -0.498 0.000 0.949 286 T HN 0.314 nan 8.240 nan 0.000 0.526 287 T N 1.858 116.397 114.554 -0.026 0.000 2.652 287 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 287 T C 2.209 176.938 174.700 0.048 0.000 1.039 287 T CA 1.757 63.879 62.100 0.037 0.000 1.153 287 T CB -0.629 68.284 68.868 0.075 0.000 0.863 287 T HN 0.549 nan 8.240 nan 0.000 0.428 288 S N -0.306 115.400 115.700 0.010 0.000 2.345 288 S HA -0.136 4.334 4.470 -0.000 0.000 0.220 288 S C 2.448 177.078 174.600 0.050 0.000 1.031 288 S CA 1.319 59.520 58.200 0.002 0.000 0.996 288 S CB -0.951 62.154 63.200 -0.158 0.000 0.882 288 S HN 0.658 nan 8.310 nan 0.000 0.445 289 C N 1.376 120.677 119.300 0.002 0.000 2.413 289 C HA 0.066 4.526 4.460 -0.000 0.000 0.276 289 C C 2.813 177.863 174.990 0.101 0.000 1.248 289 C CA 1.136 60.173 59.018 0.032 0.000 1.742 289 C CB -1.822 25.898 27.740 -0.033 0.000 2.017 289 C HN 0.726 nan 8.230 nan 0.000 0.481 290 G N 0.467 109.332 108.800 0.109 0.000 2.459 290 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 290 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 290 G C 1.526 176.522 174.900 0.160 0.000 1.183 290 G CA 1.162 46.342 45.100 0.132 0.000 0.776 290 G HN 0.584 nan 8.290 nan 0.000 0.552 291 N N 0.350 119.150 118.700 0.166 0.000 2.120 291 N HA -0.077 4.663 4.740 -0.000 0.000 0.188 291 N C 2.452 178.022 175.510 0.100 0.000 1.024 291 N CA 1.633 54.799 53.050 0.194 0.000 0.852 291 N CB -0.797 37.724 38.487 0.056 0.000 1.003 291 N HN 0.263 nan 8.380 nan 0.000 0.424 292 T N 1.859 116.475 114.554 0.103 0.000 2.652 292 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 292 T C 2.138 176.922 174.700 0.141 0.000 1.039 292 T CA 0.849 63.021 62.100 0.121 0.000 1.153 292 T CB -0.436 68.568 68.868 0.227 0.000 0.863 292 T HN 0.137 nan 8.240 nan 0.000 0.428 293 L N 0.636 121.927 121.223 0.114 0.000 2.042 293 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 293 L C 2.905 179.874 176.870 0.166 0.000 1.076 293 L CA 1.289 56.191 54.840 0.102 0.000 0.749 293 L CB -0.998 41.084 42.059 0.039 0.000 0.893 293 L HN 0.311 nan 8.230 nan 0.000 0.432 294 T N -1.676 112.998 114.554 0.201 0.000 2.851 294 T HA -0.184 4.166 4.350 -0.000 0.000 0.262 294 T C 2.021 176.923 174.700 0.338 0.000 1.043 294 T CA 1.211 63.461 62.100 0.250 0.000 1.140 294 T CB -0.409 68.629 68.868 0.285 0.000 0.872 294 T HN 0.434 nan 8.240 nan 0.000 0.446 295 C N 0.790 120.337 119.300 0.412 0.000 2.413 295 C HA -0.123 4.337 4.460 -0.000 0.000 0.276 295 C C 2.375 177.517 174.990 0.253 0.000 1.236 295 C CA 0.690 59.924 59.018 0.359 0.000 1.735 295 C CB -1.360 26.448 27.740 0.113 0.000 2.031 295 C HN 0.652 nan 8.230 nan 0.000 0.474 296 Y N 0.888 121.247 120.300 0.097 0.000 2.128 296 Y HA -0.164 4.386 4.550 0.000 0.000 0.284 296 Y C 2.223 178.143 175.900 0.033 0.000 1.154 296 Y CA 2.122 60.258 58.100 0.060 0.000 1.149 296 Y CB -0.609 37.871 38.460 0.033 0.000 0.976 296 Y HN 0.341 nan 8.280 nan 0.000 0.505 297 L N 1.236 122.506 121.223 0.079 0.000 1.971 297 L HA -0.265 4.075 4.340 -0.000 0.000 0.215 297 L C 2.126 178.902 176.870 -0.158 0.000 1.072 297 L CA 2.174 56.948 54.840 -0.110 0.000 0.758 297 L CB -1.015 40.977 42.059 -0.111 0.000 0.889 297 L HN 0.210 nan 8.230 nan 0.000 0.433 298 K N -0.644 119.740 120.400 -0.027 0.000 2.026 298 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 298 K C 2.066 178.693 176.600 0.046 0.000 1.048 298 K CA 1.433 57.725 56.287 0.007 0.000 0.929 298 K CB -0.452 32.133 32.500 0.142 0.000 0.713 298 K HN 0.510 nan 8.250 nan 0.000 0.439 299 A N 0.994 123.830 122.820 0.027 0.000 1.930 299 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 299 A C 2.222 179.842 177.584 0.060 0.000 1.175 299 A CA 1.652 53.726 52.037 0.061 0.000 0.627 299 A CB -0.473 18.645 19.000 0.197 0.000 0.815 299 A HN 0.157 nan 8.150 nan 0.000 0.443 300 S N -0.059 115.561 115.700 -0.134 0.000 2.356 300 S HA -0.069 4.401 4.470 -0.000 0.000 0.223 300 S C 2.318 176.867 174.600 -0.085 0.000 1.032 300 S CA 1.247 59.326 58.200 -0.201 0.000 1.005 300 S CB -0.459 62.447 63.200 -0.489 0.000 0.867 300 S HN 0.792 nan 8.310 nan 0.000 0.449 301 A N 1.415 124.202 122.820 -0.055 0.000 1.933 301 A HA 0.118 4.438 4.320 -0.000 0.000 0.218 301 A C 2.322 179.968 177.584 0.104 0.000 1.175 301 A CA 1.680 53.754 52.037 0.061 0.000 0.628 301 A CB -0.983 18.070 19.000 0.089 0.000 0.814 301 A HN 0.517 nan 8.150 nan 0.000 0.444 302 A N -1.119 121.766 122.820 0.109 0.000 1.969 302 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 302 A C 2.252 179.878 177.584 0.070 0.000 1.169 302 A CA 1.521 53.494 52.037 -0.106 0.000 0.635 302 A CB -1.194 17.397 19.000 -0.681 0.000 0.810 302 A HN 0.590 nan 8.150 nan 0.000 0.445 303 C N -0.721 118.707 119.300 0.213 0.000 2.413 303 C HA -0.109 4.351 4.460 -0.000 0.000 0.276 303 C C 2.893 177.896 174.990 0.022 0.000 1.248 303 C CA 1.182 60.328 59.018 0.213 0.000 1.742 303 C CB -1.290 26.532 27.740 0.136 0.000 2.017 303 C HN 0.619 nan 8.230 nan 0.000 0.481 304 R N 1.176 121.601 120.500 -0.125 0.000 2.066 304 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 304 R C 2.462 178.496 176.300 -0.443 0.000 1.131 304 R CA 1.563 57.468 56.100 -0.326 0.000 0.955 304 R CB -0.641 29.346 30.300 -0.522 0.000 0.851 304 R HN 0.526 nan 8.270 nan 0.000 0.432 305 A N 1.605 124.149 122.820 -0.460 0.000 1.892 305 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 305 A C 2.321 179.872 177.584 -0.056 0.000 1.188 305 A CA 1.937 53.860 52.037 -0.189 0.000 0.631 305 A CB -0.669 18.286 19.000 -0.075 0.000 0.822 305 A HN 0.421 nan 8.150 nan 0.000 0.447 306 A N -1.300 121.513 122.820 -0.012 0.000 2.206 306 A HA 0.182 4.502 4.320 -0.000 0.000 0.211 306 A C 1.009 178.608 177.584 0.025 0.000 1.158 306 A CA 0.860 52.923 52.037 0.042 0.000 0.761 306 A CB -0.481 18.605 19.000 0.143 0.000 0.801 306 A HN 0.531 nan 8.150 nan 0.000 0.473 307 K N -0.401 119.998 120.400 -0.002 0.000 3.156 307 K HA -0.173 4.147 4.320 -0.000 0.000 0.266 307 K C -0.728 175.880 176.600 0.014 0.000 0.966 307 K CA 0.419 56.707 56.287 0.001 0.000 0.719 307 K CB -1.953 30.553 32.500 0.009 0.000 1.333 307 K HN 0.569 nan 8.250 nan 0.000 0.468 308 L N 0.894 122.134 121.223 0.029 0.000 2.485 308 L HA 0.018 4.358 4.340 -0.000 0.000 0.275 308 L C 0.886 177.763 176.870 0.012 0.000 1.207 308 L CA 0.012 54.869 54.840 0.029 0.000 0.855 308 L CB 0.198 42.288 42.059 0.051 0.000 1.114 308 L HN 0.188 nan 8.230 nan 0.000 0.485 309 Q N 2.552 122.354 119.800 0.002 0.000 2.296 309 Q HA 0.112 4.452 4.340 -0.000 0.000 0.257 309 Q C -0.792 175.196 176.000 -0.019 0.000 0.942 309 Q CA -0.178 55.620 55.803 -0.008 0.000 0.939 309 Q CB 0.680 29.410 28.738 -0.012 0.000 1.198 309 Q HN 0.437 nan 8.270 nan 0.000 0.429 310 D N 2.137 122.527 120.400 -0.017 0.000 2.802 310 D HA -0.188 4.452 4.640 -0.000 0.000 0.229 310 D C -0.593 175.689 176.300 -0.031 0.000 1.203 310 D CA 0.961 54.946 54.000 -0.024 0.000 0.712 310 D CB -1.555 39.223 40.800 -0.037 0.000 0.973 310 D HN 0.625 nan 8.370 nan 0.000 0.407 311 C N -0.928 118.362 119.300 -0.016 0.000 2.364 311 C HA 0.806 5.266 4.460 -0.000 0.000 0.356 311 C C 0.686 175.673 174.990 -0.004 0.000 1.201 311 C CA -0.582 58.423 59.018 -0.022 0.000 2.227 311 C CB 1.608 29.338 27.740 -0.016 0.000 2.387 311 C HN 0.357 nan 8.230 nan 0.000 0.546 312 T N 3.651 118.199 114.554 -0.010 0.000 2.824 312 T HA 0.613 4.963 4.350 -0.000 0.000 0.282 312 T C -0.420 174.314 174.700 0.057 0.000 0.993 312 T CA -0.198 61.931 62.100 0.048 0.000 0.967 312 T CB 1.277 70.155 68.868 0.018 0.000 0.960 312 T HN 0.757 nan 8.240 nan 0.000 0.441 313 M N 3.027 122.704 119.600 0.128 0.000 2.508 313 M HA 0.674 5.154 4.480 -0.000 0.000 0.327 313 M C -1.218 175.188 176.300 0.176 0.000 1.160 313 M CA -1.033 54.330 55.300 0.104 0.000 0.980 313 M CB 1.872 34.539 32.600 0.112 0.000 1.693 313 M HN 0.306 nan 8.290 nan 0.000 0.452 314 L N 3.018 124.300 121.223 0.099 0.000 2.404 314 L HA 0.715 5.055 4.340 -0.000 0.000 0.272 314 L C -1.564 175.281 176.870 -0.041 0.000 0.980 314 L CA -0.483 54.380 54.840 0.039 0.000 0.836 314 L CB 1.822 43.930 42.059 0.080 0.000 1.238 314 L HN 0.548 nan 8.230 nan 0.000 0.408 315 V N 4.274 124.139 119.914 -0.082 0.000 2.487 315 V HA 0.568 4.688 4.120 -0.000 0.000 0.298 315 V C -0.666 175.225 176.094 -0.339 0.000 1.028 315 V CA -0.619 61.616 62.300 -0.108 0.000 0.860 315 V CB 1.819 33.675 31.823 0.055 0.000 0.991 315 V HN 0.786 nan 8.190 nan 0.000 0.427 316 N N 3.780 122.225 118.700 -0.424 0.000 2.682 316 N HA 0.611 5.351 4.740 -0.000 0.000 0.252 316 N C 0.623 175.972 175.510 -0.268 0.000 1.081 316 N CA 0.539 53.102 53.050 -0.813 0.000 0.844 316 N CB 1.669 39.526 38.487 -1.050 0.000 1.167 316 N HN 1.058 nan 8.380 nan 0.000 0.523 317 G N 2.333 111.143 108.800 0.017 0.000 2.629 317 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.313 317 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.313 317 G C 0.545 175.298 174.900 -0.245 0.000 1.217 317 G CA 0.719 45.828 45.100 0.015 0.000 0.994 317 G HN 0.612 nan 8.290 nan 0.000 0.549 318 D N 1.324 121.499 120.400 -0.375 0.000 2.349 318 D HA 0.066 4.706 4.640 -0.000 0.000 0.224 318 D C 0.412 176.570 176.300 -0.237 0.000 1.029 318 D CA 0.823 54.418 54.000 -0.676 0.000 0.879 318 D CB -0.145 40.292 40.800 -0.604 0.000 0.906 318 D HN 0.451 nan 8.370 nan 0.000 0.528 319 D N 0.726 121.044 120.400 -0.137 0.000 2.316 319 D HA 0.270 4.910 4.640 -0.000 0.000 0.245 319 D C -0.982 175.289 176.300 -0.049 0.000 1.171 319 D CA -0.521 53.442 54.000 -0.061 0.000 0.856 319 D CB 1.089 41.846 40.800 -0.072 0.000 1.090 319 D HN 0.046 nan 8.370 nan 0.000 0.476 320 L N 5.172 126.412 121.223 0.029 0.000 2.385 320 L HA 0.533 4.873 4.340 -0.000 0.000 0.273 320 L C -1.653 175.204 176.870 -0.021 0.000 0.990 320 L CA -0.666 54.197 54.840 0.038 0.000 0.821 320 L CB 1.894 44.049 42.059 0.159 0.000 1.279 320 L HN 0.151 nan 8.230 nan 0.000 0.412 321 V N 5.811 125.667 119.914 -0.096 0.000 2.789 321 V HA 0.808 4.928 4.120 -0.000 0.000 0.311 321 V C -1.469 174.455 176.094 -0.283 0.000 1.073 321 V CA -0.365 61.815 62.300 -0.201 0.000 0.921 321 V CB 2.435 34.187 31.823 -0.119 0.000 1.009 321 V HN 0.595 nan 8.190 nan 0.000 0.426 322 V N 7.413 126.994 119.914 -0.556 0.000 2.588 322 V HA 0.591 4.711 4.120 -0.000 0.000 0.304 322 V C -0.441 175.447 176.094 -0.342 0.000 1.042 322 V CA -0.444 61.545 62.300 -0.518 0.000 0.877 322 V CB 1.783 33.064 31.823 -0.903 0.000 0.996 322 V HN 0.763 nan 8.190 nan 0.000 0.425 323 I N 4.873 125.356 120.570 -0.144 0.000 2.433 323 I HA 0.770 4.940 4.170 -0.000 0.000 0.292 323 I C -0.037 176.028 176.117 -0.087 0.000 1.001 323 I CA -0.333 60.931 61.300 -0.060 0.000 1.119 323 I CB 1.748 39.764 38.000 0.027 0.000 1.289 323 I HN 0.904 nan 8.210 nan 0.000 0.438 324 C N 2.224 121.465 119.300 -0.099 0.000 3.316 324 C HA 0.546 5.006 4.460 -0.000 0.000 0.360 324 C C -0.810 174.108 174.990 -0.120 0.000 1.560 324 C CA -0.928 58.038 59.018 -0.086 0.000 1.229 324 C CB 1.759 29.482 27.740 -0.029 0.000 1.823 324 C HN 0.642 nan 8.230 nan 0.000 0.440 325 E N 1.845 121.993 120.200 -0.086 0.000 2.290 325 E HA 0.303 4.653 4.350 -0.000 0.000 0.277 325 E C 0.187 176.763 176.600 -0.039 0.000 1.035 325 E CA 0.487 56.837 56.400 -0.084 0.000 0.873 325 E CB 1.630 31.292 29.700 -0.064 0.000 1.029 325 E HN 0.707 nan 8.360 nan 0.000 0.419 326 S N 1.678 117.364 115.700 -0.022 0.000 2.585 326 S HA 0.289 4.759 4.470 -0.000 0.000 0.273 326 S C 0.417 175.030 174.600 0.021 0.000 1.339 326 S CA 0.130 58.363 58.200 0.055 0.000 1.028 326 S CB 0.610 63.895 63.200 0.141 0.000 0.906 326 S HN 0.525 nan 8.310 nan 0.000 0.528 327 A N 2.916 125.756 122.820 0.033 0.000 2.606 327 A HA 0.661 4.981 4.320 -0.000 0.000 0.290 327 A C 0.809 178.396 177.584 0.005 0.000 1.174 327 A CA 0.224 52.266 52.037 0.009 0.000 0.958 327 A CB -0.813 18.192 19.000 0.007 0.000 1.194 327 A HN 1.910 nan 8.150 nan 0.000 0.526 328 G N -1.084 107.720 108.800 0.007 0.000 2.619 328 G HA2 0.034 3.994 3.960 -0.000 0.000 0.686 328 G HA3 0.034 3.994 3.960 -0.000 0.000 0.686 328 G C 0.613 175.525 174.900 0.020 0.000 1.256 328 G CA 0.207 45.293 45.100 -0.023 0.000 0.826 328 G HN 1.157 nan 8.290 nan 0.000 0.619 329 T N -2.002 112.542 114.554 -0.017 0.000 2.833 329 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 329 T C 2.070 176.805 174.700 0.059 0.000 1.054 329 T CA 2.207 64.343 62.100 0.059 0.000 1.135 329 T CB -0.140 68.732 68.868 0.007 0.000 0.869 329 T HN 0.810 nan 8.240 nan 0.000 0.466 330 Q N 0.612 120.426 119.800 0.022 0.000 2.049 330 Q HA -0.123 4.217 4.340 -0.000 0.000 0.198 330 Q C 2.454 178.463 176.000 0.015 0.000 0.971 330 Q CA 1.530 57.342 55.803 0.016 0.000 0.833 330 Q CB -0.131 28.610 28.738 0.004 0.000 0.896 330 Q HN 0.514 nan 8.270 nan 0.000 0.434 331 E N 0.829 121.038 120.200 0.015 0.000 2.106 331 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 331 E C 1.299 177.907 176.600 0.015 0.000 0.984 331 E CA 1.720 58.127 56.400 0.012 0.000 0.806 331 E CB -0.159 29.547 29.700 0.010 0.000 0.750 331 E HN 0.401 nan 8.360 nan 0.000 0.458 332 D N -0.125 120.298 120.400 0.038 0.000 2.117 332 D HA -0.101 4.539 4.640 -0.000 0.000 0.197 332 D C 1.742 178.032 176.300 -0.017 0.000 0.987 332 D CA 1.570 55.588 54.000 0.031 0.000 0.829 332 D CB -0.494 40.377 40.800 0.119 0.000 0.961 332 D HN 0.309 nan 8.370 nan 0.000 0.460 333 A N 0.924 123.748 122.820 0.006 0.000 1.902 333 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 333 A C 2.288 179.855 177.584 -0.028 0.000 1.181 333 A CA 2.195 54.222 52.037 -0.016 0.000 0.623 333 A CB -0.672 18.333 19.000 0.008 0.000 0.818 333 A HN 0.239 nan 8.150 nan 0.000 0.443 334 A N 0.294 123.105 122.820 -0.015 0.000 1.873 334 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 334 A C 2.501 180.075 177.584 -0.016 0.000 1.186 334 A CA 2.210 54.240 52.037 -0.012 0.000 0.616 334 A CB -0.981 18.017 19.000 -0.004 0.000 0.823 334 A HN 0.898 nan 8.150 nan 0.000 0.442 335 S N -0.238 115.449 115.700 -0.021 0.000 2.382 335 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 335 S C 1.682 176.262 174.600 -0.033 0.000 1.027 335 S CA 1.466 59.657 58.200 -0.016 0.000 0.991 335 S CB -0.540 62.652 63.200 -0.014 0.000 0.823 335 S HN 0.229 nan 8.310 nan 0.000 0.469 336 L N 1.698 122.850 121.223 -0.118 0.000 2.093 336 L HA 0.109 4.449 4.340 -0.000 0.000 0.208 336 L C 2.824 179.673 176.870 -0.035 0.000 1.085 336 L CA 1.448 56.167 54.840 -0.202 0.000 0.755 336 L CB -0.611 41.229 42.059 -0.365 0.000 0.904 336 L HN 0.253 nan 8.230 nan 0.000 0.435 337 R N -1.347 119.140 120.500 -0.022 0.000 2.092 337 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 337 R C 2.125 178.434 176.300 0.014 0.000 1.119 337 R CA 1.223 57.327 56.100 0.006 0.000 0.970 337 R CB -0.397 29.900 30.300 -0.005 0.000 0.864 337 R HN 0.225 nan 8.270 nan 0.000 0.440 338 V N 0.513 120.436 119.914 0.014 0.000 2.379 338 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 338 V C 1.892 177.990 176.094 0.005 0.000 1.044 338 V CA 1.500 63.801 62.300 0.002 0.000 1.036 338 V CB -0.581 31.245 31.823 0.005 0.000 0.664 338 V HN 0.193 nan 8.190 nan 0.000 0.453 339 F N 1.747 121.640 119.950 -0.096 0.000 2.091 339 F HA -0.265 4.262 4.527 -0.000 0.000 0.299 339 F C 2.412 178.143 175.800 -0.114 0.000 1.103 339 F CA 2.434 60.372 58.000 -0.104 0.000 1.228 339 F CB -0.514 38.421 39.000 -0.109 0.000 0.984 339 F HN 0.124 nan 8.300 nan 0.000 0.477 340 T N -0.195 114.410 114.554 0.084 0.000 2.821 340 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 340 T C 1.703 176.378 174.700 -0.041 0.000 1.046 340 T CA 1.607 63.768 62.100 0.102 0.000 1.139 340 T CB -0.304 68.695 68.868 0.218 0.000 0.871 340 T HN 0.386 nan 8.240 nan 0.000 0.454 341 E N 1.110 121.266 120.200 -0.073 0.000 2.077 341 E HA -0.051 4.299 4.350 -0.000 0.000 0.193 341 E C 2.568 179.028 176.600 -0.232 0.000 0.989 341 E CA 0.994 57.325 56.400 -0.115 0.000 0.800 341 E CB -0.212 29.436 29.700 -0.086 0.000 0.746 341 E HN 0.470 nan 8.360 nan 0.000 0.452 342 A N 1.164 123.787 122.820 -0.328 0.000 1.902 342 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 342 A C 2.154 179.281 177.584 -0.761 0.000 1.181 342 A CA 1.268 52.956 52.037 -0.582 0.000 0.623 342 A CB -0.318 18.371 19.000 -0.517 0.000 0.818 342 A HN 0.121 nan 8.150 nan 0.000 0.443 343 M N -0.285 118.986 119.600 -0.548 0.000 2.117 343 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 343 M C 2.214 178.427 176.300 -0.146 0.000 1.065 343 M CA 2.098 57.194 55.300 -0.339 0.000 1.114 343 M CB -1.977 30.349 32.600 -0.457 0.000 1.361 343 M HN 0.459 nan 8.290 nan 0.000 0.408 344 T N 0.093 114.570 114.554 -0.127 0.000 2.708 344 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 344 T C 1.969 176.606 174.700 -0.104 0.000 1.037 344 T CA 1.202 63.263 62.100 -0.065 0.000 1.146 344 T CB -0.255 68.582 68.868 -0.051 0.000 0.865 344 T HN 0.365 nan 8.240 nan 0.000 0.435 345 R N -0.012 120.363 120.500 -0.208 0.000 2.139 345 R HA -0.104 4.236 4.340 -0.000 0.000 0.243 345 R C 1.726 177.959 176.300 -0.111 0.000 1.145 345 R CA 1.295 57.269 56.100 -0.211 0.000 0.976 345 R CB -0.303 29.799 30.300 -0.330 0.000 0.866 345 R HN 0.440 nan 8.270 nan 0.000 0.449 346 Y N 0.026 120.260 120.300 -0.110 0.000 2.490 346 Y HA 0.002 4.552 4.550 -0.000 0.000 0.281 346 Y C 1.336 177.171 175.900 -0.107 0.000 1.174 346 Y CA 0.214 58.235 58.100 -0.132 0.000 1.295 346 Y CB -0.149 38.254 38.460 -0.096 0.000 1.062 346 Y HN 0.198 nan 8.280 nan 0.000 0.522 347 S N -1.790 113.940 115.700 0.050 0.000 2.659 347 S HA -0.202 4.268 4.470 -0.000 0.000 0.264 347 S C 0.430 175.050 174.600 0.032 0.000 1.310 347 S CA 0.474 58.690 58.200 0.026 0.000 1.262 347 S CB -1.937 61.264 63.200 0.002 0.000 1.548 347 S HN 0.647 nan 8.310 nan 0.000 0.657 348 A N 2.443 125.298 122.820 0.059 0.000 3.175 348 A HA 0.648 4.968 4.320 -0.000 0.000 0.289 348 A C -1.711 175.994 177.584 0.201 0.000 1.429 348 A CA -1.151 50.955 52.037 0.115 0.000 1.155 348 A CB 0.129 19.236 19.000 0.178 0.000 1.169 348 A HN 0.571 nan 8.150 nan 0.000 0.574 349 P HA 0.251 nan 4.420 nan 0.000 0.274 349 P C -2.883 174.469 177.300 0.087 0.000 1.231 349 P CA -1.323 61.831 63.100 0.090 0.000 0.790 349 P CB 0.660 32.342 31.700 -0.030 0.000 0.951 350 P HA 0.081 nan 4.420 nan 0.000 0.274 350 P C 0.715 177.947 177.300 -0.115 0.000 1.237 350 P CA 0.106 63.105 63.100 -0.169 0.000 0.793 350 P CB 0.668 32.267 31.700 -0.169 0.000 0.977 351 G N 1.413 110.134 108.800 -0.132 0.000 2.648 351 G HA2 0.008 3.968 3.960 -0.000 0.000 0.217 351 G HA3 0.008 3.968 3.960 -0.000 0.000 0.217 351 G C -0.088 174.767 174.900 -0.074 0.000 1.386 351 G CA 0.083 45.138 45.100 -0.075 0.000 0.920 351 G HN 0.478 nan 8.290 nan 0.000 0.540 352 D N 2.353 122.709 120.400 -0.074 0.000 2.350 352 D HA 0.284 4.924 4.640 -0.000 0.000 0.249 352 D C -2.146 174.109 176.300 -0.075 0.000 1.119 352 D CA -0.829 53.137 54.000 -0.057 0.000 0.886 352 D CB 1.508 42.286 40.800 -0.038 0.000 1.195 352 D HN 0.079 nan 8.370 nan 0.000 0.437 353 P HA 0.161 nan 4.420 nan 0.000 0.271 353 P C -2.449 174.846 177.300 -0.009 0.000 1.216 353 P CA -1.130 61.954 63.100 -0.026 0.000 0.776 353 P CB -0.144 31.551 31.700 -0.007 0.000 0.881 354 P HA 0.122 nan 4.420 nan 0.000 0.271 354 P C -0.774 176.512 177.300 -0.024 0.000 1.218 354 P CA 0.085 63.218 63.100 0.055 0.000 0.780 354 P CB 0.582 32.353 31.700 0.119 0.000 0.901 355 Q N 2.316 122.122 119.800 0.009 0.000 2.375 355 Q HA 0.642 4.982 4.340 -0.000 0.000 0.271 355 Q C -2.885 173.106 176.000 -0.016 0.000 1.074 355 Q CA -2.601 53.192 55.803 -0.017 0.000 0.808 355 Q CB 1.584 30.327 28.738 0.008 0.000 1.327 355 Q HN 0.190 nan 8.270 nan 0.000 0.441 356 P HA 0.066 nan 4.420 nan 0.000 0.268 356 P C -0.956 176.176 177.300 -0.279 0.000 1.204 356 P CA 0.205 63.197 63.100 -0.180 0.000 0.768 356 P CB 0.613 32.217 31.700 -0.160 0.000 0.842 357 E N 2.107 122.095 120.200 -0.354 0.000 2.248 357 E HA 0.223 4.573 4.350 -0.000 0.000 0.267 357 E C -0.553 175.867 176.600 -0.300 0.000 0.877 357 E CA -0.389 55.867 56.400 -0.241 0.000 0.759 357 E CB 1.517 31.189 29.700 -0.047 0.000 1.182 357 E HN 0.429 nan 8.360 nan 0.000 0.418 358 Y N -0.155 120.295 120.300 0.249 0.000 2.500 358 Y HA 0.163 4.713 4.550 -0.000 0.000 0.246 358 Y C 0.244 176.407 175.900 0.439 0.000 1.146 358 Y CA -0.387 57.918 58.100 0.341 0.000 1.230 358 Y CB 1.014 39.576 38.460 0.169 0.000 1.214 358 Y HN 0.260 nan 8.280 nan 0.000 0.526 359 D N 0.413 120.985 120.400 0.287 0.000 2.505 359 D HA 0.112 4.752 4.640 -0.000 0.000 0.250 359 D C 0.706 176.781 176.300 -0.375 0.000 1.164 359 D CA -0.315 53.705 54.000 0.033 0.000 0.870 359 D CB 1.660 42.487 40.800 0.044 0.000 1.160 359 D HN 0.109 nan 8.370 nan 0.000 0.549 360 L N 4.300 124.924 121.223 -0.998 0.000 2.081 360 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 360 L C 1.550 178.086 176.870 -0.557 0.000 1.080 360 L CA 1.959 56.063 54.840 -1.227 0.000 0.754 360 L CB -0.288 40.780 42.059 -1.652 0.000 0.893 360 L HN 0.515 nan 8.230 nan 0.000 0.433 361 E N -0.914 119.066 120.200 -0.367 0.000 2.472 361 E HA -0.122 4.228 4.350 -0.000 0.000 0.200 361 E C 1.764 178.276 176.600 -0.146 0.000 1.046 361 E CA 0.529 56.805 56.400 -0.207 0.000 0.871 361 E CB -0.085 29.541 29.700 -0.125 0.000 0.806 361 E HN 0.537 nan 8.360 nan 0.000 0.533 362 L N 0.596 121.728 121.223 -0.152 0.000 2.693 362 L HA 0.236 4.576 4.340 -0.000 0.000 0.235 362 L C 0.422 177.242 176.870 -0.084 0.000 1.127 362 L CA -0.209 54.579 54.840 -0.086 0.000 0.914 362 L CB 0.526 42.557 42.059 -0.045 0.000 1.193 362 L HN 0.013 nan 8.230 nan 0.000 0.502 363 I N 0.104 120.596 120.570 -0.130 0.000 2.352 363 I HA 0.106 4.276 4.170 -0.000 0.000 0.290 363 I C 0.051 176.122 176.117 -0.076 0.000 1.036 363 I CA 0.154 61.396 61.300 -0.098 0.000 1.336 363 I CB 1.243 39.166 38.000 -0.128 0.000 1.407 363 I HN -0.084 nan 8.210 nan 0.000 0.497 364 T N 5.143 119.673 114.554 -0.040 0.000 2.749 364 T HA 0.433 4.783 4.350 -0.000 0.000 0.287 364 T C -0.159 174.533 174.700 -0.013 0.000 0.970 364 T CA -0.586 61.501 62.100 -0.022 0.000 0.980 364 T CB 0.843 69.705 68.868 -0.010 0.000 0.924 364 T HN 0.737 nan 8.240 nan 0.000 0.456 365 S N 0.959 116.653 115.700 -0.010 0.000 2.548 365 S HA 0.417 4.887 4.470 -0.000 0.000 0.276 365 S C 0.043 174.650 174.600 0.011 0.000 1.129 365 S CA -0.831 57.363 58.200 -0.010 0.000 0.931 365 S CB 0.501 63.679 63.200 -0.037 0.000 1.068 365 S HN 0.912 nan 8.310 nan 0.000 0.480 366 C N 2.299 121.609 119.300 0.016 0.000 4.167 366 C HA -0.159 4.301 4.460 -0.000 0.000 0.302 366 C C 1.344 176.398 174.990 0.107 0.000 1.384 366 C CA 0.585 59.636 59.018 0.055 0.000 2.041 366 C CB -3.363 24.404 27.740 0.044 0.000 1.303 366 C HN 1.688 nan 8.230 nan 0.000 0.718 367 S N -1.630 114.118 115.700 0.080 0.000 3.350 367 S HA -0.213 4.257 4.470 -0.000 0.000 0.341 367 S C 0.331 174.983 174.600 0.087 0.000 1.176 367 S CA 1.309 59.555 58.200 0.077 0.000 0.972 367 S CB -0.746 62.511 63.200 0.094 0.000 0.953 367 S HN 1.023 nan 8.310 nan 0.000 0.565 368 S N 1.711 117.469 115.700 0.097 0.000 2.632 368 S HA 0.764 5.234 4.470 -0.000 0.000 0.289 368 S C -0.410 174.219 174.600 0.048 0.000 1.115 368 S CA -0.917 57.359 58.200 0.127 0.000 0.889 368 S CB 1.701 65.035 63.200 0.224 0.000 1.116 368 S HN 0.609 nan 8.310 nan 0.000 0.486 369 N N -0.467 118.253 118.700 0.034 0.000 2.396 369 N HA 0.400 5.140 4.740 -0.000 0.000 0.275 369 N C -1.377 174.083 175.510 -0.084 0.000 1.218 369 N CA -0.566 52.457 53.050 -0.044 0.000 0.812 369 N CB 0.992 39.439 38.487 -0.066 0.000 1.592 369 N HN 0.315 nan 8.380 nan 0.000 0.480 370 V N 0.570 120.398 119.914 -0.142 0.000 2.715 370 V HA 0.327 4.447 4.120 -0.000 0.000 0.299 370 V C 0.635 176.594 176.094 -0.224 0.000 1.054 370 V CA 0.226 62.414 62.300 -0.186 0.000 1.077 370 V CB 0.907 32.609 31.823 -0.201 0.000 0.972 370 V HN 0.862 nan 8.190 nan 0.000 0.484 371 S N 2.671 118.141 115.700 -0.382 0.000 2.685 371 S HA 0.738 5.208 4.470 -0.000 0.000 0.282 371 S C -1.382 173.029 174.600 -0.316 0.000 1.159 371 S CA -0.489 57.505 58.200 -0.343 0.000 0.833 371 S CB 2.050 65.032 63.200 -0.364 0.000 1.151 371 S HN 0.637 nan 8.310 nan 0.000 0.485 372 V N 1.599 121.459 119.914 -0.090 0.000 2.540 372 V HA 0.939 5.059 4.120 -0.000 0.000 0.302 372 V C 0.022 176.155 176.094 0.065 0.000 1.035 372 V CA 0.290 62.520 62.300 -0.117 0.000 0.873 372 V CB 0.905 32.523 31.823 -0.341 0.000 0.992 372 V HN 1.223 nan 8.190 nan 0.000 0.428 373 A N 5.394 128.181 122.820 -0.055 0.000 2.726 373 A HA 0.862 5.182 4.320 -0.000 0.000 0.248 373 A C -0.948 176.292 177.584 -0.574 0.000 1.249 373 A CA -0.566 51.289 52.037 -0.303 0.000 0.846 373 A CB 1.584 20.201 19.000 -0.638 0.000 1.391 373 A HN 0.888 nan 8.150 nan 0.000 0.497 374 H N 0.198 118.922 119.070 -0.576 0.000 2.679 374 H HA 0.342 4.898 4.556 -0.000 0.000 0.360 374 H C -1.139 173.802 175.328 -0.645 0.000 1.105 374 H CA -0.483 55.217 56.048 -0.580 0.000 1.196 374 H CB 1.871 31.244 29.762 -0.649 0.000 1.636 374 H HN 0.911 nan 8.280 nan 0.000 0.531 375 D N 1.026 121.291 120.400 -0.225 0.000 2.440 375 D HA 0.168 4.808 4.640 -0.000 0.000 0.269 375 D C 1.237 177.595 176.300 0.097 0.000 1.249 375 D CA -0.445 53.502 54.000 -0.089 0.000 1.055 375 D CB 0.407 41.176 40.800 -0.051 0.000 1.104 375 D HN 0.432 nan 8.370 nan 0.000 0.561 376 A N -0.701 122.192 122.820 0.122 0.000 2.119 376 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 376 A C 1.980 179.632 177.584 0.114 0.000 1.153 376 A CA 1.070 53.195 52.037 0.148 0.000 0.692 376 A CB -0.712 18.343 19.000 0.091 0.000 0.799 376 A HN 0.426 nan 8.150 nan 0.000 0.458 377 S N -1.722 114.031 115.700 0.088 0.000 2.527 377 S HA 0.324 4.794 4.470 -0.000 0.000 0.222 377 S C 1.534 176.185 174.600 0.084 0.000 0.985 377 S CA 0.850 59.090 58.200 0.066 0.000 0.921 377 S CB 0.124 63.349 63.200 0.043 0.000 0.772 377 S HN 1.537 nan 8.310 nan 0.000 0.529 378 G N 1.778 110.657 108.800 0.132 0.000 2.176 378 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.232 378 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.232 378 G C 0.078 175.073 174.900 0.158 0.000 0.986 378 G CA 0.051 45.241 45.100 0.151 0.000 0.643 378 G HN 0.475 nan 8.290 nan 0.000 0.522 379 K N 1.187 121.630 120.400 0.071 0.000 2.412 379 K HA 0.309 4.629 4.320 -0.000 0.000 0.281 379 K C 0.808 177.339 176.600 -0.115 0.000 1.027 379 K CA -0.545 55.744 56.287 0.004 0.000 0.989 379 K CB 0.233 32.722 32.500 -0.018 0.000 0.935 379 K HN 0.330 nan 8.250 nan 0.000 0.475 380 R N 2.018 122.385 120.500 -0.221 0.000 2.538 380 R HA 0.072 4.412 4.340 -0.000 0.000 0.282 380 R C -0.625 175.417 176.300 -0.430 0.000 1.009 380 R CA -0.066 55.721 56.100 -0.522 0.000 1.063 380 R CB 0.608 30.642 30.300 -0.444 0.000 0.945 380 R HN 0.290 nan 8.270 nan 0.000 0.414 381 V N 4.636 124.245 119.914 -0.509 0.000 2.686 381 V HA 0.273 4.393 4.120 -0.000 0.000 0.306 381 V C -1.124 174.777 176.094 -0.321 0.000 1.065 381 V CA -0.888 61.226 62.300 -0.311 0.000 0.894 381 V CB 1.686 33.397 31.823 -0.186 0.000 1.004 381 V HN 0.569 nan 8.190 nan 0.000 0.424 382 Y N 4.860 125.153 120.300 -0.012 0.000 2.334 382 Y HA 0.716 5.266 4.550 -0.000 0.000 0.328 382 Y C -0.066 175.881 175.900 0.078 0.000 1.130 382 Y CA -0.408 57.684 58.100 -0.012 0.000 1.163 382 Y CB 1.429 39.842 38.460 -0.079 0.000 1.207 382 Y HN 0.723 nan 8.280 nan 0.000 0.471 383 Y N 0.444 120.805 120.300 0.101 0.000 2.625 383 Y HA 0.697 5.247 4.550 0.000 0.000 0.338 383 Y C -2.261 173.688 175.900 0.082 0.000 1.123 383 Y CA -1.912 56.221 58.100 0.056 0.000 1.046 383 Y CB 0.827 39.292 38.460 0.009 0.000 1.299 383 Y HN 0.455 nan 8.280 nan 0.000 0.464 384 L N 2.336 123.636 121.223 0.129 0.000 2.275 384 L HA 0.717 5.057 4.340 -0.000 0.000 0.288 384 L C -0.022 177.054 176.870 0.344 0.000 1.046 384 L CA 0.375 55.281 54.840 0.110 0.000 0.805 384 L CB 1.267 43.397 42.059 0.117 0.000 1.193 384 L HN 1.018 nan 8.230 nan 0.000 0.426 385 T N 4.570 119.278 114.554 0.257 0.000 2.831 385 T HA 0.865 5.215 4.350 -0.000 0.000 0.287 385 T C -0.997 173.854 174.700 0.252 0.000 1.070 385 T CA -0.651 61.691 62.100 0.403 0.000 1.010 385 T CB 1.150 70.244 68.868 0.376 0.000 1.264 385 T HN 0.801 nan 8.240 nan 0.000 0.532 386 R N 0.512 121.088 120.500 0.127 0.000 2.752 386 R HA 0.487 4.827 4.340 -0.000 0.000 0.271 386 R C -1.382 174.759 176.300 -0.266 0.000 1.026 386 R CA -1.028 55.016 56.100 -0.095 0.000 0.901 386 R CB 0.495 30.663 30.300 -0.219 0.000 1.243 386 R HN 0.522 nan 8.270 nan 0.000 0.463 387 D N 1.823 122.070 120.400 -0.255 0.000 2.450 387 D HA 0.039 4.679 4.640 -0.000 0.000 0.247 387 D C -1.382 174.566 176.300 -0.586 0.000 1.162 387 D CA -1.262 52.538 54.000 -0.333 0.000 0.879 387 D CB 1.245 41.930 40.800 -0.192 0.000 1.163 387 D HN 0.332 nan 8.370 nan 0.000 0.472 388 P HA 0.011 nan 4.420 nan 0.000 0.249 388 P C 1.172 178.155 177.300 -0.527 0.000 1.229 388 P CA 0.150 62.597 63.100 -1.087 0.000 0.788 388 P CB 0.255 31.200 31.700 -1.258 0.000 1.072 389 T N -0.151 114.209 114.554 -0.323 0.000 2.635 389 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 389 T C 1.707 176.343 174.700 -0.107 0.000 1.040 389 T CA 2.470 64.475 62.100 -0.157 0.000 1.156 389 T CB -1.107 67.711 68.868 -0.082 0.000 0.863 389 T HN 0.215 nan 8.240 nan 0.000 0.430 390 T N 2.008 116.501 114.554 -0.102 0.000 2.737 390 T HA -0.030 4.320 4.350 -0.000 0.000 0.265 390 T C -0.547 174.109 174.700 -0.074 0.000 1.038 390 T CA 1.037 63.106 62.100 -0.051 0.000 1.144 390 T CB -1.246 67.632 68.868 0.017 0.000 0.866 390 T HN 0.331 nan 8.240 nan 0.000 0.434 391 P HA -0.056 nan 4.420 nan 0.000 0.216 391 P C 1.451 178.769 177.300 0.031 0.000 1.154 391 P CA 1.061 64.142 63.100 -0.031 0.000 0.865 391 P CB -0.215 31.414 31.700 -0.120 0.000 0.789 392 L N -1.614 119.585 121.223 -0.041 0.000 2.109 392 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 392 L C 2.522 179.422 176.870 0.049 0.000 1.086 392 L CA 1.283 56.128 54.840 0.008 0.000 0.760 392 L CB -1.225 40.800 42.059 -0.056 0.000 0.910 392 L HN -0.071 nan 8.230 nan 0.000 0.437 393 A N 0.546 123.385 122.820 0.032 0.000 1.883 393 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 393 A C 2.419 180.066 177.584 0.103 0.000 1.186 393 A CA 1.713 53.790 52.037 0.067 0.000 0.624 393 A CB -0.479 18.539 19.000 0.029 0.000 0.822 393 A HN 0.325 nan 8.150 nan 0.000 0.444 394 R N -0.704 119.830 120.500 0.057 0.000 2.075 394 R HA -0.010 4.330 4.340 -0.000 0.000 0.232 394 R C 2.465 178.912 176.300 0.246 0.000 1.126 394 R CA 1.086 57.239 56.100 0.089 0.000 0.963 394 R CB -0.474 29.821 30.300 -0.008 0.000 0.858 394 R HN 0.502 nan 8.270 nan 0.000 0.435 395 A N 1.225 124.215 122.820 0.284 0.000 1.978 395 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 395 A C 2.299 180.109 177.584 0.378 0.000 1.170 395 A CA 1.765 54.088 52.037 0.476 0.000 0.636 395 A CB -0.506 18.794 19.000 0.500 0.000 0.810 395 A HN 0.414 nan 8.150 nan 0.000 0.448 396 A N -1.562 121.393 122.820 0.226 0.000 1.897 396 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 396 A C 2.067 179.756 177.584 0.175 0.000 1.181 396 A CA 1.103 53.229 52.037 0.148 0.000 0.620 396 A CB -0.769 18.303 19.000 0.120 0.000 0.821 396 A HN 0.797 nan 8.150 nan 0.000 0.443 397 W N 1.096 122.433 121.300 0.061 0.000 2.335 397 W HA -0.172 4.488 4.660 -0.000 0.000 0.311 397 W C 1.754 178.314 176.519 0.067 0.000 1.213 397 W CA 2.067 59.436 57.345 0.040 0.000 1.274 397 W CB -0.337 29.129 29.460 0.011 0.000 1.148 397 W HN 0.539 nan 8.180 nan 0.000 0.498 398 E N -0.865 119.594 120.200 0.432 0.000 2.204 398 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 398 E C 1.996 178.774 176.600 0.297 0.000 0.989 398 E CA 1.796 58.426 56.400 0.383 0.000 0.824 398 E CB -0.252 29.736 29.700 0.481 0.000 0.756 398 E HN 0.074 nan 8.360 nan 0.000 0.477 399 T N 0.119 114.834 114.554 0.267 0.000 2.788 399 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 399 T C 1.707 176.392 174.700 -0.025 0.000 1.044 399 T CA 1.362 63.538 62.100 0.125 0.000 1.139 399 T CB -0.006 68.939 68.868 0.128 0.000 0.867 399 T HN 0.241 nan 8.240 nan 0.000 0.454 400 A N -0.167 122.600 122.820 -0.090 0.000 2.288 400 A HA 0.346 4.666 4.320 -0.000 0.000 0.216 400 A C 0.940 178.386 177.584 -0.229 0.000 1.199 400 A CA -0.113 51.815 52.037 -0.182 0.000 0.891 400 A CB 0.537 19.396 19.000 -0.235 0.000 0.923 400 A HN 0.077 nan 8.150 nan 0.000 0.500 401 R N 0.590 120.973 120.500 -0.195 0.000 2.532 401 R HA 0.363 4.703 4.340 -0.000 0.000 0.297 401 R C -1.610 174.660 176.300 -0.049 0.000 0.984 401 R CA -0.513 55.516 56.100 -0.119 0.000 0.884 401 R CB 0.859 31.137 30.300 -0.038 0.000 1.182 401 R HN 0.500 nan 8.270 nan 0.000 0.442 402 H N 0.766 119.905 119.070 0.115 0.000 2.803 402 H HA 0.155 4.711 4.556 0.000 0.000 0.330 402 H C 0.600 175.992 175.328 0.107 0.000 1.057 402 H CA 0.751 56.869 56.048 0.116 0.000 1.458 402 H CB 0.755 30.565 29.762 0.080 0.000 1.470 402 H HN 0.526 nan 8.280 nan 0.000 0.560 403 T N 0.186 114.858 114.554 0.197 0.000 2.916 403 T HA 0.280 4.630 4.350 -0.000 0.000 0.292 403 T C -1.863 172.830 174.700 -0.011 0.000 1.055 403 T CA -2.035 60.115 62.100 0.084 0.000 1.009 403 T CB 1.805 70.725 68.868 0.087 0.000 1.118 403 T HN 0.258 nan 8.240 nan 0.000 0.497 404 P HA 0.162 nan 4.420 nan 0.000 0.220 404 P C -0.163 177.079 177.300 -0.098 0.000 1.152 404 P CA 0.276 63.225 63.100 -0.251 0.000 0.812 404 P CB 0.119 31.555 31.700 -0.439 0.000 0.792 405 V N 1.271 121.135 119.914 -0.083 0.000 2.448 405 V HA 0.260 4.380 4.120 -0.000 0.000 0.295 405 V C -0.235 175.801 176.094 -0.096 0.000 1.025 405 V CA -0.872 61.380 62.300 -0.080 0.000 0.859 405 V CB 1.696 33.471 31.823 -0.080 0.000 0.988 405 V HN -0.011 nan 8.190 nan 0.000 0.431 406 N N 2.795 121.394 118.700 -0.168 0.000 2.462 406 N HA 0.113 4.853 4.740 -0.000 0.000 0.242 406 N C 1.260 176.553 175.510 -0.361 0.000 1.010 406 N CA 0.122 53.003 53.050 -0.282 0.000 0.939 406 N CB 1.936 40.107 38.487 -0.526 0.000 1.127 406 N HN 0.833 nan 8.380 nan 0.000 0.509 407 S N 3.045 118.639 115.700 -0.176 0.000 2.383 407 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 407 S C 1.884 176.437 174.600 -0.079 0.000 1.026 407 S CA 0.293 58.434 58.200 -0.099 0.000 0.981 407 S CB -0.436 62.754 63.200 -0.016 0.000 0.818 407 S HN 0.806 nan 8.310 nan 0.000 0.472 408 W N 1.393 122.618 121.300 -0.125 0.000 2.325 408 W HA -0.104 4.556 4.660 -0.000 0.000 0.299 408 W C 1.715 178.160 176.519 -0.122 0.000 1.215 408 W CA 0.705 57.945 57.345 -0.174 0.000 1.244 408 W CB -1.038 28.008 29.460 -0.690 0.000 1.140 408 W HN 0.386 nan 8.180 nan 0.000 0.523 409 L N 2.757 123.353 121.223 -1.045 0.000 2.072 409 L HA 0.214 4.554 4.340 -0.000 0.000 0.205 409 L C 2.660 179.311 176.870 -0.366 0.000 1.079 409 L CA 2.698 56.930 54.840 -1.015 0.000 0.752 409 L CB -1.388 39.812 42.059 -1.432 0.000 0.906 409 L HN 0.038 nan 8.230 nan 0.000 0.436 410 G N -0.658 107.967 108.800 -0.290 0.000 2.408 410 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 410 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 410 G C 1.457 176.363 174.900 0.010 0.000 1.150 410 G CA 0.669 45.688 45.100 -0.135 0.000 0.776 410 G HN 0.421 nan 8.290 nan 0.000 0.542 411 N N 0.649 119.412 118.700 0.105 0.000 2.120 411 N HA -0.027 4.713 4.740 -0.000 0.000 0.188 411 N C 2.248 177.915 175.510 0.261 0.000 1.024 411 N CA 0.669 53.911 53.050 0.319 0.000 0.852 411 N CB -0.191 38.546 38.487 0.417 0.000 1.003 411 N HN 0.333 nan 8.380 nan 0.000 0.424 412 I N 0.979 121.660 120.570 0.185 0.000 2.226 412 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 412 I C 2.041 178.217 176.117 0.100 0.000 1.100 412 I CA 0.913 62.304 61.300 0.151 0.000 1.374 412 I CB -0.174 37.985 38.000 0.266 0.000 1.057 412 I HN 0.057 nan 8.210 nan 0.000 0.413 413 I N -0.102 120.529 120.570 0.101 0.000 2.179 413 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 413 I C 2.510 178.736 176.117 0.181 0.000 1.088 413 I CA 1.290 62.676 61.300 0.143 0.000 1.357 413 I CB -0.228 37.837 38.000 0.109 0.000 1.051 413 I HN 0.226 nan 8.210 nan 0.000 0.409 414 M N -0.776 118.852 119.600 0.046 0.000 2.288 414 M HA -0.096 4.384 4.480 -0.000 0.000 0.266 414 M C 1.027 177.111 176.300 -0.361 0.000 1.072 414 M CA 1.683 56.897 55.300 -0.143 0.000 1.132 414 M CB -0.622 31.790 32.600 -0.313 0.000 1.386 414 M HN 0.196 nan 8.290 nan 0.000 0.432 415 Y N -0.713 119.572 120.300 -0.025 0.000 2.720 415 Y HA 0.480 5.030 4.550 -0.000 0.000 0.268 415 Y C 1.768 177.394 175.900 -0.456 0.000 1.142 415 Y CA -0.289 57.673 58.100 -0.230 0.000 1.193 415 Y CB -0.866 37.410 38.460 -0.306 0.000 1.176 415 Y HN 0.145 nan 8.280 nan 0.000 0.542 416 A N 1.154 123.767 122.820 -0.345 0.000 1.915 416 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 416 A C -0.365 176.941 177.584 -0.463 0.000 1.198 416 A CA 1.897 53.697 52.037 -0.395 0.000 0.647 416 A CB -1.481 17.277 19.000 -0.404 0.000 0.825 416 A HN 0.287 nan 8.150 nan 0.000 0.456 417 P HA 0.022 nan 4.420 nan 0.000 0.237 417 P C 0.568 177.599 177.300 -0.450 0.000 1.178 417 P CA 1.235 64.064 63.100 -0.451 0.000 0.766 417 P CB -0.471 30.985 31.700 -0.407 0.000 0.876 418 T N -2.894 111.365 114.554 -0.491 0.000 2.882 418 T HA 0.168 4.518 4.350 -0.000 0.000 0.287 418 T C 1.073 175.298 174.700 -0.791 0.000 1.014 418 T CA -0.703 61.029 62.100 -0.612 0.000 1.049 418 T CB 0.730 69.035 68.868 -0.938 0.000 1.001 418 T HN -0.179 nan 8.240 nan 0.000 0.525 419 L N 1.348 121.976 121.223 -0.991 0.000 2.083 419 L HA 0.057 4.397 4.340 -0.000 0.000 0.209 419 L C 2.323 178.867 176.870 -0.543 0.000 1.083 419 L CA 1.508 55.778 54.840 -0.950 0.000 0.752 419 L CB -0.792 40.644 42.059 -1.038 0.000 0.899 419 L HN 0.901 nan 8.230 nan 0.000 0.433 420 W N -1.125 119.954 121.300 -0.367 0.000 2.453 420 W HA 0.163 4.823 4.660 -0.000 0.000 0.289 420 W C 1.982 178.361 176.519 -0.233 0.000 1.215 420 W CA 0.642 57.814 57.345 -0.288 0.000 1.297 420 W CB -1.273 28.050 29.460 -0.228 0.000 1.113 420 W HN 0.273 nan 8.180 nan 0.000 0.551 421 A N 1.740 124.161 122.820 -0.665 0.000 1.968 421 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 421 A C 2.244 179.687 177.584 -0.234 0.000 1.169 421 A CA 1.310 53.106 52.037 -0.403 0.000 0.638 421 A CB -0.620 17.986 19.000 -0.656 0.000 0.812 421 A HN 0.294 nan 8.150 nan 0.000 0.446 422 R N -1.016 119.249 120.500 -0.392 0.000 2.055 422 R HA 0.100 4.440 4.340 -0.000 0.000 0.226 422 R C 2.225 178.311 176.300 -0.357 0.000 1.135 422 R CA 1.552 57.412 56.100 -0.401 0.000 0.959 422 R CB -0.353 29.545 30.300 -0.669 0.000 0.854 422 R HN 0.461 nan 8.270 nan 0.000 0.431 423 M N -0.093 119.194 119.600 -0.523 0.000 2.254 423 M HA -0.043 4.437 4.480 -0.000 0.000 0.265 423 M C 1.873 178.141 176.300 -0.054 0.000 1.066 423 M CA 1.574 56.674 55.300 -0.334 0.000 1.123 423 M CB 0.106 32.502 32.600 -0.341 0.000 1.388 423 M HN 0.158 nan 8.290 nan 0.000 0.425 424 I N -1.186 119.218 120.570 -0.277 0.000 3.345 424 I HA -0.081 4.089 4.170 -0.000 0.000 0.258 424 I C 2.017 177.998 176.117 -0.225 0.000 1.134 424 I CA 0.205 61.104 61.300 -0.668 0.000 1.457 424 I CB -0.133 37.362 38.000 -0.842 0.000 1.425 424 I HN 0.107 nan 8.210 nan 0.000 0.461 425 L N 0.372 121.619 121.223 0.041 0.000 2.017 425 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 425 L C 2.670 179.821 176.870 0.468 0.000 1.073 425 L CA 1.671 56.709 54.840 0.330 0.000 0.745 425 L CB -0.408 41.891 42.059 0.400 0.000 0.894 425 L HN 0.275 nan 8.230 nan 0.000 0.432 426 M N -0.901 118.946 119.600 0.411 0.000 2.086 426 M HA -0.188 4.292 4.480 -0.000 0.000 0.261 426 M C 2.320 179.118 176.300 0.830 0.000 1.067 426 M CA 2.062 57.717 55.300 0.592 0.000 1.116 426 M CB -0.618 32.131 32.600 0.248 0.000 1.348 426 M HN 0.261 nan 8.290 nan 0.000 0.407 427 T N -1.270 113.737 114.554 0.756 0.000 2.622 427 T HA -0.241 4.109 4.350 -0.000 0.000 0.266 427 T C 1.663 176.649 174.700 0.476 0.000 1.047 427 T CA 1.995 64.516 62.100 0.702 0.000 1.159 427 T CB -0.613 68.700 68.868 0.742 0.000 0.863 427 T HN 0.452 nan 8.240 nan 0.000 0.422 428 H N 0.379 119.613 119.070 0.273 0.000 2.290 428 H HA -0.048 4.508 4.556 0.000 0.000 0.298 428 H C 1.809 177.000 175.328 -0.228 0.000 1.087 428 H CA 1.749 57.808 56.048 0.019 0.000 1.291 428 H CB -0.503 29.119 29.762 -0.235 0.000 1.369 428 H HN 0.358 nan 8.280 nan 0.000 0.492 429 F N -1.277 118.634 119.950 -0.066 0.000 2.293 429 F HA 0.002 4.529 4.527 -0.000 0.000 0.297 429 F C 1.981 177.581 175.800 -0.333 0.000 1.089 429 F CA 0.441 58.156 58.000 -0.475 0.000 1.377 429 F CB -0.468 37.812 39.000 -1.199 0.000 1.051 429 F HN 0.137 nan 8.300 nan 0.000 0.511 430 F N -0.521 119.519 119.950 0.150 0.000 2.186 430 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 430 F C 2.739 178.562 175.800 0.038 0.000 1.090 430 F CA 1.538 59.638 58.000 0.167 0.000 1.307 430 F CB -0.948 38.256 39.000 0.339 0.000 1.019 430 F HN -0.121 nan 8.300 nan 0.000 0.489 431 S N 0.478 116.248 115.700 0.117 0.000 2.353 431 S HA -0.211 4.259 4.470 -0.000 0.000 0.222 431 S C 2.127 176.674 174.600 -0.088 0.000 1.035 431 S CA 1.692 59.881 58.200 -0.019 0.000 1.025 431 S CB -0.504 62.656 63.200 -0.067 0.000 0.902 431 S HN 0.297 nan 8.310 nan 0.000 0.440 432 I N 1.248 121.700 120.570 -0.196 0.000 2.179 432 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 432 I C 2.181 178.249 176.117 -0.081 0.000 1.088 432 I CA 1.102 62.289 61.300 -0.188 0.000 1.357 432 I CB -0.366 37.451 38.000 -0.305 0.000 1.051 432 I HN 0.297 nan 8.210 nan 0.000 0.409 433 L N -0.034 121.147 121.223 -0.070 0.000 2.083 433 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 433 L C 2.540 179.423 176.870 0.021 0.000 1.083 433 L CA 1.206 56.034 54.840 -0.021 0.000 0.752 433 L CB -0.584 41.428 42.059 -0.078 0.000 0.899 433 L HN 0.265 nan 8.230 nan 0.000 0.433 434 L N -0.119 121.128 121.223 0.040 0.000 1.989 434 L HA -0.245 4.095 4.340 -0.000 0.000 0.211 434 L C 2.873 179.754 176.870 0.019 0.000 1.071 434 L CA 1.502 56.373 54.840 0.052 0.000 0.749 434 L CB -0.632 41.459 42.059 0.054 0.000 0.890 434 L HN 0.259 nan 8.230 nan 0.000 0.431 435 A N -1.313 121.504 122.820 -0.005 0.000 1.972 435 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 435 A C 2.041 179.625 177.584 -0.000 0.000 1.169 435 A CA 1.260 53.290 52.037 -0.013 0.000 0.635 435 A CB -0.238 18.741 19.000 -0.035 0.000 0.810 435 A HN 0.428 nan 8.150 nan 0.000 0.446 436 Q N -0.373 119.432 119.800 0.008 0.000 2.360 436 Q HA 0.066 4.406 4.340 -0.000 0.000 0.202 436 Q C -0.473 175.546 176.000 0.032 0.000 0.915 436 Q CA 0.223 56.040 55.803 0.024 0.000 0.943 436 Q CB -0.006 28.755 28.738 0.039 0.000 1.064 436 Q HN 0.748 nan 8.270 nan 0.000 0.511 437 E N 0.659 120.878 120.200 0.032 0.000 2.269 437 E HA -0.261 4.089 4.350 -0.000 0.000 0.223 437 E C -0.250 176.379 176.600 0.048 0.000 1.244 437 E CA 0.339 56.763 56.400 0.040 0.000 0.713 437 E CB -1.136 28.584 29.700 0.033 0.000 1.178 437 E HN 0.495 nan 8.360 nan 0.000 0.370 438 Q N -0.415 119.418 119.800 0.054 0.000 2.157 438 Q HA 0.209 4.549 4.340 -0.000 0.000 0.229 438 Q C 1.708 177.751 176.000 0.072 0.000 0.827 438 Q CA -0.250 55.592 55.803 0.064 0.000 1.055 438 Q CB 0.440 29.223 28.738 0.074 0.000 1.157 438 Q HN 0.378 nan 8.270 nan 0.000 0.482 439 L N 0.444 121.714 121.223 0.077 0.000 2.191 439 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 439 L C 1.887 178.820 176.870 0.105 0.000 1.103 439 L CA 1.141 56.041 54.840 0.100 0.000 0.769 439 L CB -0.048 42.099 42.059 0.147 0.000 0.908 439 L HN 0.278 nan 8.230 nan 0.000 0.438 440 E N -0.114 120.139 120.200 0.088 0.000 2.385 440 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 440 E C 0.776 177.421 176.600 0.074 0.000 1.013 440 E CA 0.102 56.550 56.400 0.080 0.000 0.866 440 E CB 0.163 29.903 29.700 0.065 0.000 0.832 440 E HN 0.310 nan 8.360 nan 0.000 0.500 441 K N 1.940 122.385 120.400 0.075 0.000 2.349 441 K HA 0.275 4.595 4.320 -0.000 0.000 0.288 441 K C -0.395 176.252 176.600 0.078 0.000 1.058 441 K CA -0.194 56.136 56.287 0.071 0.000 0.953 441 K CB 0.740 33.283 32.500 0.071 0.000 0.997 441 K HN -0.131 nan 8.250 nan 0.000 0.477 442 A N 5.135 127.997 122.820 0.070 0.000 2.531 442 A HA 0.238 4.558 4.320 -0.000 0.000 0.236 442 A C -0.409 177.214 177.584 0.065 0.000 1.062 442 A CA 0.086 52.164 52.037 0.069 0.000 0.760 442 A CB 0.077 19.119 19.000 0.071 0.000 0.995 442 A HN 0.769 nan 8.150 nan 0.000 0.501 443 L N 1.682 122.931 121.223 0.042 0.000 2.370 443 L HA 0.406 4.746 4.340 -0.000 0.000 0.266 443 L C -0.909 175.953 176.870 -0.014 0.000 1.002 443 L CA -1.039 53.812 54.840 0.018 0.000 0.818 443 L CB 2.167 44.218 42.059 -0.014 0.000 1.325 443 L HN 0.560 nan 8.230 nan 0.000 0.418 444 D N 1.095 121.493 120.400 -0.002 0.000 2.256 444 D HA 0.497 5.137 4.640 -0.000 0.000 0.250 444 D C -0.484 175.761 176.300 -0.091 0.000 1.093 444 D CA -0.015 53.986 54.000 0.000 0.000 0.882 444 D CB 1.512 42.350 40.800 0.065 0.000 1.185 444 D HN 0.619 nan 8.370 nan 0.000 0.437 445 C N 0.578 119.819 119.300 -0.098 0.000 3.285 445 C HA 0.709 5.169 4.460 -0.000 0.000 0.320 445 C C -0.970 173.965 174.990 -0.090 0.000 1.411 445 C CA -0.820 58.107 59.018 -0.152 0.000 1.429 445 C CB 1.285 28.876 27.740 -0.248 0.000 1.812 445 C HN 0.509 nan 8.230 nan 0.000 0.454 446 Q N 0.457 120.197 119.800 -0.099 0.000 2.340 446 Q HA 0.760 5.100 4.340 -0.000 0.000 0.268 446 Q C -1.398 174.546 176.000 -0.093 0.000 1.031 446 Q CA -0.322 55.449 55.803 -0.053 0.000 0.804 446 Q CB 2.234 30.951 28.738 -0.036 0.000 1.286 446 Q HN 0.718 nan 8.270 nan 0.000 0.448 447 I N 2.839 123.356 120.570 -0.089 0.000 2.468 447 I HA 0.193 4.363 4.170 -0.000 0.000 0.285 447 I C -1.001 175.108 176.117 -0.012 0.000 1.039 447 I CA -0.746 60.419 61.300 -0.225 0.000 1.074 447 I CB 1.156 38.757 38.000 -0.665 0.000 1.228 447 I HN 0.666 nan 8.210 nan 0.000 0.436 448 Y N 5.202 125.533 120.300 0.052 0.000 3.491 448 Y HA -0.265 4.285 4.550 0.000 0.000 0.215 448 Y C 1.478 177.326 175.900 -0.086 0.000 1.219 448 Y CA 1.147 59.251 58.100 0.006 0.000 1.485 448 Y CB -1.973 36.489 38.460 0.004 0.000 1.450 448 Y HN 0.984 nan 8.280 nan 0.000 0.603 449 G N -2.325 106.544 108.800 0.115 0.000 2.268 449 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.240 449 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.240 449 G C 0.439 175.354 174.900 0.026 0.000 1.010 449 G CA 0.031 45.164 45.100 0.054 0.000 0.618 449 G HN 1.525 nan 8.290 nan 0.000 0.516 450 A N -0.338 122.503 122.820 0.034 0.000 2.327 450 A HA 0.638 4.958 4.320 -0.000 0.000 0.283 450 A C 0.627 178.068 177.584 -0.238 0.000 1.127 450 A CA 0.474 52.387 52.037 -0.207 0.000 0.810 450 A CB 0.904 19.688 19.000 -0.360 0.000 1.066 450 A HN 1.493 nan 8.150 nan 0.000 0.492 451 C N 2.700 121.770 119.300 -0.384 0.000 2.369 451 C HA 0.750 5.210 4.460 -0.000 0.000 0.358 451 C C -1.021 173.602 174.990 -0.611 0.000 1.274 451 C CA -0.403 58.459 59.018 -0.260 0.000 1.935 451 C CB -1.209 26.513 27.740 -0.030 0.000 2.431 451 C HN 0.657 nan 8.230 nan 0.000 0.545 452 Y N 2.714 122.808 120.300 -0.342 0.000 2.462 452 Y HA 0.445 4.995 4.550 -0.000 0.000 0.346 452 Y C 0.378 176.145 175.900 -0.222 0.000 0.976 452 Y CA -0.405 57.449 58.100 -0.411 0.000 1.044 452 Y CB 1.805 39.945 38.460 -0.534 0.000 1.230 452 Y HN 0.580 nan 8.280 nan 0.000 0.455 453 S N 4.221 119.901 115.700 -0.034 0.000 2.422 453 S HA 0.642 5.112 4.470 -0.000 0.000 0.298 453 S C -1.001 173.644 174.600 0.075 0.000 1.118 453 S CA -0.476 57.760 58.200 0.060 0.000 1.083 453 S CB -0.403 62.870 63.200 0.122 0.000 0.971 453 S HN 0.443 nan 8.310 nan 0.000 0.478 454 I N 3.986 124.588 120.570 0.053 0.000 2.509 454 I HA 0.412 4.582 4.170 -0.000 0.000 0.293 454 I C 0.143 176.296 176.117 0.061 0.000 1.020 454 I CA -0.696 60.646 61.300 0.070 0.000 1.088 454 I CB 1.940 39.961 38.000 0.036 0.000 1.267 454 I HN 0.659 nan 8.210 nan 0.000 0.430 455 E N 6.794 127.046 120.200 0.086 0.000 2.115 455 E HA 0.235 4.585 4.350 -0.000 0.000 0.282 455 E C -1.691 174.980 176.600 0.118 0.000 0.987 455 E CA -1.488 54.967 56.400 0.092 0.000 0.797 455 E CB 1.527 31.282 29.700 0.092 0.000 1.086 455 E HN 0.286 nan 8.360 nan 0.000 0.397 456 P HA -0.162 nan 4.420 nan 0.000 0.221 456 P C 1.015 178.495 177.300 0.300 0.000 1.145 456 P CA 0.961 64.168 63.100 0.179 0.000 0.795 456 P CB 0.251 32.009 31.700 0.097 0.000 0.775 457 L N -0.808 120.558 121.223 0.239 0.000 2.362 457 L HA -0.106 4.234 4.340 -0.000 0.000 0.219 457 L C 1.201 178.181 176.870 0.183 0.000 1.134 457 L CA 1.172 56.161 54.840 0.247 0.000 0.807 457 L CB -0.540 41.624 42.059 0.176 0.000 0.927 457 L HN -0.032 nan 8.230 nan 0.000 0.447 458 D N -0.448 120.044 120.400 0.153 0.000 2.340 458 D HA 0.004 4.644 4.640 -0.000 0.000 0.220 458 D C 2.219 178.590 176.300 0.118 0.000 1.039 458 D CA 0.229 54.291 54.000 0.103 0.000 0.866 458 D CB 0.313 41.160 40.800 0.078 0.000 0.913 458 D HN 0.266 nan 8.370 nan 0.000 0.523 459 L N 1.066 122.406 121.223 0.195 0.000 2.013 459 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 459 L C -0.438 176.548 176.870 0.193 0.000 1.073 459 L CA 1.712 56.685 54.840 0.223 0.000 0.753 459 L CB -1.502 40.767 42.059 0.349 0.000 0.890 459 L HN 0.063 nan 8.230 nan 0.000 0.432 460 P HA -0.205 nan 4.420 nan 0.000 0.216 460 P C 1.374 178.739 177.300 0.110 0.000 1.153 460 P CA 1.368 64.522 63.100 0.091 0.000 0.858 460 P CB 0.034 31.604 31.700 -0.217 0.000 0.789 461 Q N -0.884 118.917 119.800 0.001 0.000 2.079 461 Q HA -0.083 4.257 4.340 -0.000 0.000 0.200 461 Q C 2.216 178.204 176.000 -0.019 0.000 0.974 461 Q CA 1.233 57.019 55.803 -0.028 0.000 0.840 461 Q CB -0.909 27.795 28.738 -0.057 0.000 0.898 461 Q HN 0.247 nan 8.270 nan 0.000 0.430 462 I N 0.101 120.664 120.570 -0.011 0.000 2.163 462 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 462 I C 1.995 178.105 176.117 -0.011 0.000 1.085 462 I CA 1.211 62.469 61.300 -0.070 0.000 1.347 462 I CB -0.282 37.713 38.000 -0.009 0.000 1.044 462 I HN 0.189 nan 8.210 nan 0.000 0.408 463 I N 0.335 120.968 120.570 0.106 0.000 2.179 463 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 463 I C 2.657 178.782 176.117 0.013 0.000 1.088 463 I CA 1.448 62.823 61.300 0.124 0.000 1.357 463 I CB -0.485 37.590 38.000 0.124 0.000 1.051 463 I HN 0.279 nan 8.210 nan 0.000 0.409 464 E N 1.189 121.440 120.200 0.085 0.000 2.049 464 E HA -0.278 4.072 4.350 -0.000 0.000 0.198 464 E C 2.410 178.997 176.600 -0.022 0.000 1.007 464 E CA 1.394 57.831 56.400 0.063 0.000 0.809 464 E CB 0.046 29.835 29.700 0.149 0.000 0.749 464 E HN 0.279 nan 8.360 nan 0.000 0.450 465 R N -0.015 120.452 120.500 -0.055 0.000 2.096 465 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 465 R C 2.451 178.669 176.300 -0.136 0.000 1.127 465 R CA 0.926 56.964 56.100 -0.103 0.000 0.968 465 R CB -0.397 29.809 30.300 -0.157 0.000 0.861 465 R HN 0.371 nan 8.270 nan 0.000 0.440 466 L N -1.156 119.955 121.223 -0.187 0.000 2.253 466 L HA -0.001 4.339 4.340 -0.000 0.000 0.205 466 L C 1.822 178.395 176.870 -0.495 0.000 1.078 466 L CA 0.796 55.434 54.840 -0.337 0.000 0.805 466 L CB -0.225 41.589 42.059 -0.410 0.000 0.963 466 L HN 0.229 nan 8.230 nan 0.000 0.459 467 H N -0.667 118.332 119.070 -0.119 0.000 2.874 467 H HA 0.302 4.858 4.556 -0.000 0.000 0.264 467 H C 0.961 176.206 175.328 -0.140 0.000 1.007 467 H CA 0.759 56.721 56.048 -0.143 0.000 1.207 467 H CB 0.994 30.638 29.762 -0.196 0.000 1.487 467 H HN 0.277 nan 8.280 nan 0.000 0.505 468 G N 1.125 109.901 108.800 -0.040 0.000 2.781 468 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.683 468 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.683 468 G C 0.636 175.486 174.900 -0.083 0.000 1.390 468 G CA -0.151 44.929 45.100 -0.033 0.000 0.850 468 G HN 0.237 nan 8.290 nan 0.000 0.557 469 L N 1.065 122.305 121.223 0.029 0.000 2.456 469 L HA -0.028 4.312 4.340 -0.000 0.000 0.224 469 L C 3.097 180.004 176.870 0.061 0.000 1.148 469 L CA 1.765 56.699 54.840 0.157 0.000 0.825 469 L CB -0.440 41.786 42.059 0.279 0.000 0.937 469 L HN 0.861 nan 8.230 nan 0.000 0.450 470 S N 0.144 115.830 115.700 -0.023 0.000 2.419 470 S HA -0.156 4.314 4.470 -0.000 0.000 0.233 470 S C 2.164 176.688 174.600 -0.127 0.000 1.016 470 S CA 0.750 58.925 58.200 -0.042 0.000 0.974 470 S CB -0.320 62.850 63.200 -0.049 0.000 0.786 470 S HN 0.357 nan 8.310 nan 0.000 0.492 471 A N 0.637 123.294 122.820 -0.271 0.000 2.076 471 A HA 0.118 4.438 4.320 -0.000 0.000 0.220 471 A C 1.512 178.894 177.584 -0.336 0.000 1.160 471 A CA 1.097 52.890 52.037 -0.408 0.000 0.653 471 A CB -0.849 17.798 19.000 -0.588 0.000 0.801 471 A HN 0.605 nan 8.150 nan 0.000 0.455 472 F N -0.826 119.139 119.950 0.024 0.000 2.727 472 F HA 0.187 4.714 4.527 0.000 0.000 0.302 472 F C 1.714 177.558 175.800 0.074 0.000 1.097 472 F CA 0.551 58.593 58.000 0.069 0.000 1.330 472 F CB 0.192 39.266 39.000 0.124 0.000 1.084 472 F HN 0.087 nan 8.300 nan 0.000 0.578 473 S N -0.690 115.107 115.700 0.162 0.000 2.733 473 S HA 0.299 4.769 4.470 -0.000 0.000 0.247 473 S C 0.474 175.126 174.600 0.087 0.000 1.043 473 S CA -0.301 57.983 58.200 0.141 0.000 1.066 473 S CB 0.343 63.617 63.200 0.123 0.000 1.045 473 S HN -0.005 nan 8.310 nan 0.000 0.586 474 L N 3.552 124.741 121.223 -0.056 0.000 2.514 474 L HA 0.252 4.592 4.340 -0.000 0.000 0.280 474 L C 0.473 177.192 176.870 -0.251 0.000 1.223 474 L CA 0.427 55.102 54.840 -0.275 0.000 0.864 474 L CB -0.010 41.764 42.059 -0.474 0.000 1.118 474 L HN 0.527 nan 8.230 nan 0.000 0.494 475 H N -1.532 117.293 119.070 -0.409 0.000 2.948 475 H HA 0.379 4.935 4.556 -0.000 0.000 0.315 475 H C -0.405 174.730 175.328 -0.322 0.000 1.360 475 H CA -0.887 54.975 56.048 -0.309 0.000 1.125 475 H CB 0.971 30.686 29.762 -0.078 0.000 1.844 475 H HN 0.394 nan 8.280 nan 0.000 0.529 476 S N -0.516 115.201 115.700 0.028 0.000 3.572 476 S HA -0.230 4.240 4.470 -0.000 0.000 0.394 476 S C -0.594 174.015 174.600 0.014 0.000 0.923 476 S CA 0.488 58.725 58.200 0.062 0.000 1.291 476 S CB -2.514 60.702 63.200 0.026 0.000 0.914 476 S HN 0.536 nan 8.310 nan 0.000 0.545 477 Y N 1.696 122.047 120.300 0.085 0.000 2.330 477 Y HA 0.335 4.885 4.550 -0.000 0.000 0.341 477 Y C 1.450 177.415 175.900 0.108 0.000 1.278 477 Y CA 0.354 58.509 58.100 0.091 0.000 1.453 477 Y CB 0.404 38.905 38.460 0.068 0.000 1.342 477 Y HN 0.563 nan 8.280 nan 0.000 0.590 478 S N 1.016 116.884 115.700 0.281 0.000 2.593 478 S HA 0.162 4.632 4.470 -0.000 0.000 0.269 478 S C -2.058 172.630 174.600 0.148 0.000 1.334 478 S CA -1.092 57.211 58.200 0.172 0.000 1.015 478 S CB 1.241 64.517 63.200 0.127 0.000 0.912 478 S HN 0.434 nan 8.310 nan 0.000 0.541 479 P HA 0.118 nan 4.420 nan 0.000 0.219 479 P C 1.687 179.029 177.300 0.071 0.000 1.150 479 P CA 1.224 64.375 63.100 0.085 0.000 0.814 479 P CB -0.450 31.291 31.700 0.068 0.000 0.787 480 G N 0.377 109.215 108.800 0.064 0.000 2.421 480 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.216 480 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.216 480 G C 1.686 176.617 174.900 0.051 0.000 1.171 480 G CA 0.934 46.062 45.100 0.047 0.000 0.775 480 G HN 0.255 nan 8.290 nan 0.000 0.543 481 E N 0.722 120.969 120.200 0.078 0.000 2.028 481 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 481 E C 2.462 179.107 176.600 0.075 0.000 0.988 481 E CA 0.907 57.364 56.400 0.094 0.000 0.799 481 E CB -0.460 29.343 29.700 0.171 0.000 0.755 481 E HN 0.479 nan 8.360 nan 0.000 0.447 482 I N 0.898 121.521 120.570 0.088 0.000 2.163 482 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 482 I C 1.969 178.115 176.117 0.048 0.000 1.085 482 I CA 1.265 62.604 61.300 0.065 0.000 1.347 482 I CB -0.457 37.599 38.000 0.094 0.000 1.044 482 I HN 0.165 nan 8.210 nan 0.000 0.408 483 N N 0.587 119.316 118.700 0.048 0.000 2.166 483 N HA -0.207 4.533 4.740 -0.000 0.000 0.186 483 N C 1.878 177.399 175.510 0.018 0.000 1.019 483 N CA 1.145 54.216 53.050 0.035 0.000 0.856 483 N CB -0.415 38.092 38.487 0.034 0.000 0.993 483 N HN 0.348 nan 8.380 nan 0.000 0.426 484 R N 0.634 121.140 120.500 0.010 0.000 2.075 484 R HA -0.004 4.336 4.340 -0.000 0.000 0.232 484 R C 1.784 178.060 176.300 -0.040 0.000 1.126 484 R CA 0.827 56.916 56.100 -0.018 0.000 0.963 484 R CB -0.105 30.178 30.300 -0.028 0.000 0.858 484 R HN -0.038 nan 8.270 nan 0.000 0.435 485 V N 1.157 121.055 119.914 -0.027 0.000 2.295 485 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 485 V C 2.507 178.593 176.094 -0.014 0.000 1.049 485 V CA 1.946 64.222 62.300 -0.039 0.000 1.024 485 V CB -0.763 31.064 31.823 0.008 0.000 0.648 485 V HN 0.553 nan 8.190 nan 0.000 0.447 486 A N 0.121 122.949 122.820 0.014 0.000 1.883 486 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 486 A C 2.463 180.063 177.584 0.027 0.000 1.186 486 A CA 2.440 54.497 52.037 0.033 0.000 0.624 486 A CB -0.796 18.229 19.000 0.043 0.000 0.822 486 A HN 0.553 nan 8.150 nan 0.000 0.444 487 S N -1.089 114.620 115.700 0.015 0.000 2.402 487 S HA -0.202 4.268 4.470 -0.000 0.000 0.229 487 S C 1.989 176.595 174.600 0.010 0.000 1.021 487 S CA 1.117 59.326 58.200 0.015 0.000 0.974 487 S CB -1.050 62.155 63.200 0.008 0.000 0.800 487 S HN 0.782 nan 8.310 nan 0.000 0.484 488 C N 2.145 121.436 119.300 -0.015 0.000 2.425 488 C HA 0.055 4.515 4.460 -0.000 0.000 0.277 488 C C 2.416 177.404 174.990 -0.004 0.000 1.280 488 C CA 0.417 59.416 59.018 -0.031 0.000 1.744 488 C CB -1.609 26.073 27.740 -0.096 0.000 1.989 488 C HN 0.574 nan 8.230 nan 0.000 0.491 489 L N 0.323 121.552 121.223 0.010 0.000 2.056 489 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 489 L C 3.008 179.905 176.870 0.044 0.000 1.078 489 L CA 1.564 56.426 54.840 0.037 0.000 0.749 489 L CB -0.876 41.228 42.059 0.074 0.000 0.901 489 L HN 0.333 nan 8.230 nan 0.000 0.433 490 R N 0.381 120.913 120.500 0.054 0.000 2.120 490 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 490 R C 2.301 178.679 176.300 0.129 0.000 1.123 490 R CA 1.249 57.395 56.100 0.077 0.000 0.975 490 R CB -0.248 30.092 30.300 0.066 0.000 0.866 490 R HN 0.326 nan 8.270 nan 0.000 0.446 491 K N 1.147 121.608 120.400 0.102 0.000 2.001 491 K HA -0.095 4.224 4.320 -0.000 0.000 0.208 491 K C 1.853 178.596 176.600 0.237 0.000 1.048 491 K CA 1.184 57.549 56.287 0.130 0.000 0.932 491 K CB 0.036 32.577 32.500 0.068 0.000 0.715 491 K HN 0.107 nan 8.250 nan 0.000 0.437 492 L N -0.475 120.835 121.223 0.144 0.000 2.509 492 L HA 0.147 4.487 4.340 -0.000 0.000 0.222 492 L C 0.830 177.651 176.870 -0.081 0.000 1.123 492 L CA 0.478 55.391 54.840 0.121 0.000 0.856 492 L CB 0.340 42.433 42.059 0.057 0.000 0.985 492 L HN 0.619 nan 8.230 nan 0.000 0.456 493 G N 0.659 109.311 108.800 -0.247 0.000 2.204 493 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.244 493 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.244 493 G C -0.095 174.665 174.900 -0.233 0.000 1.062 493 G CA -0.063 44.667 45.100 -0.618 0.000 0.798 493 G HN 0.063 nan 8.290 nan 0.000 0.496 494 V N 0.736 120.620 119.914 -0.051 0.000 2.509 494 V HA 0.434 4.554 4.120 -0.000 0.000 0.284 494 V C -1.229 174.958 176.094 0.154 0.000 1.047 494 V CA -1.615 60.746 62.300 0.102 0.000 0.952 494 V CB 1.527 33.435 31.823 0.141 0.000 0.988 494 V HN 0.176 nan 8.190 nan 0.000 0.469 495 P HA 0.104 nan 4.420 nan 0.000 0.266 495 P C -2.440 174.990 177.300 0.218 0.000 1.193 495 P CA -0.634 62.506 63.100 0.066 0.000 0.770 495 P CB -0.165 31.405 31.700 -0.216 0.000 0.836 496 P HA 0.042 nan 4.420 nan 0.000 0.271 496 P C 0.840 178.312 177.300 0.286 0.000 1.233 496 P CA 0.050 63.256 63.100 0.176 0.000 0.789 496 P CB 0.653 32.410 31.700 0.095 0.000 0.951 497 L N 0.542 121.939 121.223 0.291 0.000 2.187 497 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 497 L C 2.831 179.889 176.870 0.314 0.000 1.100 497 L CA 1.571 56.624 54.840 0.355 0.000 0.765 497 L CB -0.823 41.363 42.059 0.212 0.000 0.904 497 L HN 0.464 nan 8.230 nan 0.000 0.437 498 R N -0.203 120.417 120.500 0.201 0.000 2.096 498 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 498 R C 1.974 178.360 176.300 0.144 0.000 1.127 498 R CA 1.472 57.667 56.100 0.160 0.000 0.968 498 R CB -1.083 29.272 30.300 0.092 0.000 0.861 498 R HN 0.146 nan 8.270 nan 0.000 0.440 499 V N 0.592 120.544 119.914 0.064 0.000 2.343 499 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 499 V C 2.001 178.051 176.094 -0.072 0.000 1.051 499 V CA 1.874 64.132 62.300 -0.070 0.000 1.036 499 V CB -0.705 30.953 31.823 -0.276 0.000 0.654 499 V HN 0.387 nan 8.190 nan 0.000 0.451 500 W N 0.213 121.620 121.300 0.178 0.000 2.388 500 W HA -0.108 4.552 4.660 -0.000 0.000 0.294 500 W C 2.735 179.454 176.519 0.333 0.000 1.212 500 W CA 1.488 58.971 57.345 0.231 0.000 1.271 500 W CB -0.306 29.286 29.460 0.220 0.000 1.126 500 W HN 0.071 nan 8.180 nan 0.000 0.535 501 R N -0.132 120.699 120.500 0.551 0.000 2.073 501 R HA -0.244 4.096 4.340 -0.000 0.000 0.234 501 R C 2.173 178.624 176.300 0.252 0.000 1.134 501 R CA 2.158 58.555 56.100 0.495 0.000 0.952 501 R CB -0.810 29.750 30.300 0.432 0.000 0.850 501 R HN 0.220 nan 8.270 nan 0.000 0.433 502 H N 0.550 119.684 119.070 0.106 0.000 2.319 502 H HA -0.055 4.501 4.556 0.000 0.000 0.299 502 H C 1.969 177.290 175.328 -0.012 0.000 1.092 502 H CA 2.283 58.341 56.048 0.016 0.000 1.302 502 H CB -0.016 29.738 29.762 -0.013 0.000 1.373 502 H HN 0.172 nan 8.280 nan 0.000 0.497 503 R N -0.268 120.168 120.500 -0.108 0.000 2.096 503 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 503 R C 2.530 178.754 176.300 -0.127 0.000 1.127 503 R CA 1.008 57.003 56.100 -0.176 0.000 0.968 503 R CB -0.309 29.944 30.300 -0.078 0.000 0.861 503 R HN 0.413 nan 8.270 nan 0.000 0.440 504 A N 1.142 123.959 122.820 -0.005 0.000 1.969 504 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 504 A C 2.039 179.392 177.584 -0.385 0.000 1.169 504 A CA 1.051 52.992 52.037 -0.160 0.000 0.635 504 A CB -0.283 18.744 19.000 0.044 0.000 0.810 504 A HN 0.211 nan 8.150 nan 0.000 0.445 505 R N -0.625 119.709 120.500 -0.276 0.000 2.091 505 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 505 R C 2.651 178.798 176.300 -0.254 0.000 1.136 505 R CA 1.553 57.503 56.100 -0.250 0.000 0.959 505 R CB -0.415 29.796 30.300 -0.149 0.000 0.856 505 R HN 0.551 nan 8.270 nan 0.000 0.437 506 S N 0.152 115.691 115.700 -0.268 0.000 2.356 506 S HA -0.106 4.364 4.470 -0.000 0.000 0.223 506 S C 2.029 176.481 174.600 -0.248 0.000 1.032 506 S CA 1.368 59.426 58.200 -0.237 0.000 1.005 506 S CB -0.143 62.908 63.200 -0.248 0.000 0.867 506 S HN 0.126 nan 8.310 nan 0.000 0.449 507 V N 2.519 122.239 119.914 -0.324 0.000 2.343 507 V HA -0.151 3.969 4.120 -0.000 0.000 0.247 507 V C 2.679 178.481 176.094 -0.488 0.000 1.051 507 V CA 2.242 64.307 62.300 -0.393 0.000 1.036 507 V CB -0.917 30.593 31.823 -0.523 0.000 0.654 507 V HN 0.506 nan 8.190 nan 0.000 0.451 508 R N 0.541 120.672 120.500 -0.616 0.000 2.097 508 R HA -0.223 4.117 4.340 -0.000 0.000 0.236 508 R C 2.325 178.503 176.300 -0.203 0.000 1.135 508 R CA 2.058 57.920 56.100 -0.397 0.000 0.934 508 R CB -0.601 29.514 30.300 -0.307 0.000 0.846 508 R HN 0.459 nan 8.270 nan 0.000 0.431 509 A N 0.928 123.638 122.820 -0.183 0.000 1.908 509 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 509 A C 2.225 179.755 177.584 -0.090 0.000 1.181 509 A CA 1.680 53.647 52.037 -0.118 0.000 0.627 509 A CB -0.496 18.438 19.000 -0.110 0.000 0.818 509 A HN 0.424 nan 8.150 nan 0.000 0.445 510 R N -0.652 119.787 120.500 -0.102 0.000 2.081 510 R HA -0.043 4.297 4.340 -0.000 0.000 0.235 510 R C 2.080 178.362 176.300 -0.031 0.000 1.131 510 R CA 1.474 57.536 56.100 -0.063 0.000 0.960 510 R CB -0.510 29.751 30.300 -0.066 0.000 0.856 510 R HN 0.511 nan 8.270 nan 0.000 0.436 511 L N 0.449 121.651 121.223 -0.036 0.000 2.005 511 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 511 L C 2.393 179.269 176.870 0.010 0.000 1.072 511 L CA 1.238 56.087 54.840 0.016 0.000 0.744 511 L CB -0.485 41.589 42.059 0.026 0.000 0.895 511 L HN 0.181 nan 8.230 nan 0.000 0.433 512 L N -0.179 121.034 121.223 -0.017 0.000 2.043 512 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 512 L C 2.771 179.636 176.870 -0.008 0.000 1.075 512 L CA 1.787 56.618 54.840 -0.014 0.000 0.752 512 L CB -0.708 41.330 42.059 -0.036 0.000 0.891 512 L HN 0.442 nan 8.230 nan 0.000 0.432 513 S N -1.261 114.430 115.700 -0.015 0.000 2.547 513 S HA -0.167 4.303 4.470 -0.000 0.000 0.235 513 S C 1.633 176.235 174.600 0.002 0.000 0.980 513 S CA 0.698 58.892 58.200 -0.011 0.000 0.941 513 S CB -0.190 62.999 63.200 -0.018 0.000 0.763 513 S HN 0.534 nan 8.310 nan 0.000 0.532 514 Q N 0.674 120.482 119.800 0.013 0.000 2.408 514 Q HA 0.321 4.661 4.340 -0.000 0.000 0.205 514 Q C 1.269 177.286 176.000 0.028 0.000 0.919 514 Q CA 0.144 55.962 55.803 0.024 0.000 0.932 514 Q CB 0.177 28.939 28.738 0.040 0.000 1.058 514 Q HN 0.720 nan 8.270 nan 0.000 0.517 515 G N 0.511 109.325 108.800 0.025 0.000 2.749 515 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.242 515 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.242 515 G C 0.481 175.403 174.900 0.036 0.000 1.364 515 G CA -0.211 44.904 45.100 0.026 0.000 0.888 515 G HN 0.670 nan 8.290 nan 0.000 0.566 516 G N -0.833 107.987 108.800 0.033 0.000 2.594 516 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.297 516 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.297 516 G C 1.155 176.083 174.900 0.046 0.000 1.273 516 G CA 1.540 46.662 45.100 0.037 0.000 0.974 516 G HN 1.537 nan 8.290 nan 0.000 0.552 517 R N 0.260 120.792 120.500 0.053 0.000 2.096 517 R HA 0.098 4.438 4.340 -0.000 0.000 0.235 517 R C 3.233 179.588 176.300 0.090 0.000 1.127 517 R CA 2.078 58.217 56.100 0.064 0.000 0.968 517 R CB -0.570 29.772 30.300 0.071 0.000 0.861 517 R HN 0.694 nan 8.270 nan 0.000 0.440 518 A N 1.188 124.070 122.820 0.103 0.000 1.902 518 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 518 A C 2.360 179.998 177.584 0.089 0.000 1.181 518 A CA 1.672 53.785 52.037 0.127 0.000 0.623 518 A CB -0.654 18.419 19.000 0.122 0.000 0.818 518 A HN 0.396 nan 8.150 nan 0.000 0.443 519 A N -1.060 121.798 122.820 0.064 0.000 1.930 519 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 519 A C 2.258 179.878 177.584 0.059 0.000 1.175 519 A CA 2.150 54.214 52.037 0.046 0.000 0.627 519 A CB -1.195 17.824 19.000 0.033 0.000 0.815 519 A HN 0.427 nan 8.150 nan 0.000 0.443 520 T N -0.707 113.891 114.554 0.073 0.000 2.720 520 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 520 T C 1.889 176.647 174.700 0.098 0.000 1.037 520 T CA 1.631 63.795 62.100 0.107 0.000 1.144 520 T CB -0.682 68.202 68.868 0.026 0.000 0.864 520 T HN 0.581 nan 8.240 nan 0.000 0.444 521 C N 1.256 120.584 119.300 0.046 0.000 2.429 521 C HA 0.058 4.518 4.460 -0.000 0.000 0.277 521 C C 3.122 178.114 174.990 0.004 0.000 1.262 521 C CA 0.486 59.487 59.018 -0.028 0.000 1.733 521 C CB -1.506 26.208 27.740 -0.045 0.000 2.010 521 C HN 0.733 nan 8.230 nan 0.000 0.483 522 G N 0.058 108.898 108.800 0.066 0.000 2.418 522 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 522 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 522 G C 1.641 176.578 174.900 0.061 0.000 1.158 522 G CA 1.074 46.242 45.100 0.113 0.000 0.771 522 G HN 0.635 nan 8.290 nan 0.000 0.545 523 K N -0.848 119.555 120.400 0.006 0.000 2.002 523 K HA -0.086 4.234 4.320 -0.000 0.000 0.209 523 K C 2.215 178.665 176.600 -0.252 0.000 1.048 523 K CA 1.242 57.462 56.287 -0.112 0.000 0.930 523 K CB -0.270 32.163 32.500 -0.112 0.000 0.714 523 K HN 0.389 nan 8.250 nan 0.000 0.438 524 Y N 0.738 120.857 120.300 -0.301 0.000 2.231 524 Y HA 0.008 4.558 4.550 -0.000 0.000 0.294 524 Y C 2.061 177.655 175.900 -0.511 0.000 1.120 524 Y CA 0.780 58.511 58.100 -0.614 0.000 1.141 524 Y CB -0.122 37.698 38.460 -1.068 0.000 1.022 524 Y HN -0.045 nan 8.280 nan 0.000 0.523 525 L N -1.678 119.407 121.223 -0.231 0.000 2.141 525 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 525 L C 0.783 177.434 176.870 -0.365 0.000 1.094 525 L CA 1.452 56.119 54.840 -0.288 0.000 0.763 525 L CB -0.386 41.303 42.059 -0.617 0.000 0.908 525 L HN 0.198 nan 8.230 nan 0.000 0.437 526 F N -1.634 118.290 119.950 -0.044 0.000 2.698 526 F HA 0.174 4.701 4.527 -0.000 0.000 0.304 526 F C 1.600 177.105 175.800 -0.491 0.000 1.108 526 F CA -0.383 57.402 58.000 -0.359 0.000 1.263 526 F CB -0.470 38.321 39.000 -0.349 0.000 1.013 526 F HN -0.076 nan 8.300 nan 0.000 0.532 527 N N 1.128 119.758 118.700 -0.116 0.000 2.289 527 N HA -0.199 4.541 4.740 -0.000 0.000 0.184 527 N C 2.008 177.494 175.510 -0.041 0.000 1.016 527 N CA 1.642 54.635 53.050 -0.095 0.000 0.872 527 N CB -0.204 38.242 38.487 -0.069 0.000 0.973 527 N HN 0.525 nan 8.380 nan 0.000 0.433 528 W N -0.407 120.939 121.300 0.077 0.000 2.421 528 W HA 0.055 4.715 4.660 0.000 0.000 0.270 528 W C 1.267 177.851 176.519 0.107 0.000 1.233 528 W CA 0.777 58.178 57.345 0.094 0.000 1.226 528 W CB -0.863 28.665 29.460 0.113 0.000 1.121 528 W HN 0.064 nan 8.180 nan 0.000 0.579 529 A N 1.375 123.827 122.820 -0.613 0.000 2.132 529 A HA 0.206 4.526 4.320 -0.000 0.000 0.213 529 A C 1.014 178.473 177.584 -0.209 0.000 1.154 529 A CA 0.960 52.636 52.037 -0.602 0.000 0.753 529 A CB -0.747 17.609 19.000 -1.073 0.000 0.826 529 A HN 0.125 nan 8.150 nan 0.000 0.469 530 V N -4.059 115.759 119.914 -0.160 0.000 2.472 530 V HA 0.768 4.888 4.120 -0.000 0.000 0.290 530 V C 1.191 177.263 176.094 -0.037 0.000 1.037 530 V CA -0.248 61.999 62.300 -0.088 0.000 0.908 530 V CB 0.652 32.414 31.823 -0.101 0.000 0.985 530 V HN 0.345 nan 8.190 nan 0.000 0.454 531 K N 2.470 122.857 120.400 -0.022 0.000 2.063 531 K HA -0.044 4.276 4.320 -0.000 0.000 0.208 531 K C 1.148 177.733 176.600 -0.024 0.000 1.048 531 K CA 2.157 58.436 56.287 -0.013 0.000 0.928 531 K CB -1.031 31.463 32.500 -0.009 0.000 0.713 531 K HN 0.857 nan 8.250 nan 0.000 0.442 532 T N 2.425 116.959 114.554 -0.032 0.000 2.891 532 T HA 0.396 4.746 4.350 -0.000 0.000 0.315 532 T C -0.513 174.159 174.700 -0.046 0.000 1.054 532 T CA -0.461 61.617 62.100 -0.036 0.000 0.958 532 T CB 0.762 69.609 68.868 -0.035 0.000 1.008 532 T HN 0.291 nan 8.240 nan 0.000 0.521 533 K N 2.443 122.816 120.400 -0.044 0.000 2.202 533 K HA 0.455 4.775 4.320 -0.000 0.000 0.264 533 K C 0.189 176.749 176.600 -0.067 0.000 1.010 533 K CA -0.346 55.909 56.287 -0.054 0.000 0.940 533 K CB 0.577 33.055 32.500 -0.038 0.000 0.983 533 K HN 0.448 nan 8.250 nan 0.000 0.475 534 L N 1.489 122.656 121.223 -0.094 0.000 2.416 534 L HA 0.347 4.687 4.340 -0.000 0.000 0.262 534 L C 0.269 177.066 176.870 -0.122 0.000 1.093 534 L CA -0.743 54.030 54.840 -0.111 0.000 0.801 534 L CB 0.899 42.869 42.059 -0.148 0.000 1.191 534 L HN 0.483 nan 8.230 nan 0.000 0.459 535 K N 1.834 122.166 120.400 -0.113 0.000 2.285 535 K HA 0.421 4.741 4.320 -0.000 0.000 0.286 535 K C -1.171 175.334 176.600 -0.158 0.000 1.072 535 K CA -0.372 55.857 56.287 -0.097 0.000 0.913 535 K CB 0.469 32.939 32.500 -0.050 0.000 1.067 535 K HN 0.418 nan 8.250 nan 0.000 0.479 536 L N 5.044 126.170 121.223 -0.162 0.000 2.257 536 L HA 0.344 4.684 4.340 -0.000 0.000 0.290 536 L C 0.185 177.080 176.870 0.042 0.000 1.044 536 L CA -0.614 54.089 54.840 -0.228 0.000 0.810 536 L CB 1.209 43.135 42.059 -0.222 0.000 1.193 536 L HN 0.781 nan 8.230 nan 0.000 0.425 537 T N 0.514 115.159 114.554 0.152 0.000 2.916 537 T HA 0.576 4.926 4.350 -0.000 0.000 0.292 537 T C -2.750 172.089 174.700 0.232 0.000 1.055 537 T CA -2.529 59.671 62.100 0.165 0.000 1.009 537 T CB 1.753 70.680 68.868 0.098 0.000 1.118 537 T HN 0.146 nan 8.240 nan 0.000 0.497 538 P HA 0.104 nan 4.420 nan 0.000 0.261 538 P C -0.571 176.765 177.300 0.059 0.000 1.165 538 P CA 0.237 63.396 63.100 0.099 0.000 0.759 538 P CB -0.012 31.724 31.700 0.061 0.000 0.772 539 I N 6.608 127.167 120.570 -0.019 0.000 2.352 539 I HA 0.117 4.287 4.170 -0.000 0.000 0.290 539 I C -1.149 174.938 176.117 -0.050 0.000 1.036 539 I CA -1.912 59.333 61.300 -0.092 0.000 1.336 539 I CB 1.077 38.917 38.000 -0.267 0.000 1.407 539 I HN 0.308 nan 8.210 nan 0.000 0.497 540 P HA -0.258 nan 4.420 nan 0.000 0.216 540 P C 1.459 178.741 177.300 -0.030 0.000 1.154 540 P CA 1.365 64.453 63.100 -0.019 0.000 0.865 540 P CB 0.242 31.936 31.700 -0.009 0.000 0.789 541 A N -0.321 122.474 122.820 -0.041 0.000 2.019 541 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 541 A C 2.302 179.855 177.584 -0.051 0.000 1.164 541 A CA 1.803 53.815 52.037 -0.041 0.000 0.644 541 A CB -1.460 17.517 19.000 -0.039 0.000 0.805 541 A HN 0.204 nan 8.150 nan 0.000 0.449 542 A N -0.204 122.579 122.820 -0.062 0.000 1.940 542 A HA 0.027 4.347 4.320 -0.000 0.000 0.219 542 A C 2.512 180.056 177.584 -0.068 0.000 1.176 542 A CA 2.345 54.341 52.037 -0.069 0.000 0.631 542 A CB -1.212 17.751 19.000 -0.061 0.000 0.814 542 A HN 0.952 nan 8.150 nan 0.000 0.446 543 S N -0.844 114.826 115.700 -0.050 0.000 2.469 543 S HA 0.031 4.501 4.470 -0.000 0.000 0.238 543 S C 1.964 176.535 174.600 -0.048 0.000 0.998 543 S CA 1.883 60.056 58.200 -0.044 0.000 0.957 543 S CB -0.564 62.619 63.200 -0.028 0.000 0.764 543 S HN 0.848 nan 8.310 nan 0.000 0.514 544 R N -0.262 120.209 120.500 -0.049 0.000 2.362 544 R HA 0.623 4.963 4.340 -0.000 0.000 0.227 544 R C 0.395 176.660 176.300 -0.058 0.000 0.905 544 R CA -0.124 55.950 56.100 -0.044 0.000 1.067 544 R CB -0.671 29.610 30.300 -0.031 0.000 1.078 544 R HN 0.344 nan 8.270 nan 0.000 0.516 545 L N 2.289 123.461 121.223 -0.086 0.000 2.361 545 L HA 0.229 4.569 4.340 -0.000 0.000 0.278 545 L C -0.112 176.670 176.870 -0.147 0.000 1.113 545 L CA -0.496 54.271 54.840 -0.121 0.000 0.849 545 L CB 1.522 43.479 42.059 -0.170 0.000 1.155 545 L HN 0.288 nan 8.230 nan 0.000 0.452 546 D N 4.747 125.080 120.400 -0.113 0.000 2.508 546 D HA 0.014 4.654 4.640 -0.000 0.000 0.224 546 D C 0.119 176.328 176.300 -0.152 0.000 1.171 546 D CA -0.288 53.655 54.000 -0.095 0.000 1.006 546 D CB 0.515 41.296 40.800 -0.033 0.000 1.073 546 D HN 0.317 nan 8.370 nan 0.000 0.513 547 L N 2.879 123.934 121.223 -0.282 0.000 2.851 547 L HA 0.065 4.405 4.340 -0.000 0.000 0.237 547 L C 0.694 177.444 176.870 -0.199 0.000 1.257 547 L CA -0.091 54.409 54.840 -0.566 0.000 1.061 547 L CB -0.440 41.153 42.059 -0.777 0.000 1.372 547 L HN 0.160 nan 8.230 nan 0.000 0.493 548 S N -1.528 114.159 115.700 -0.020 0.000 2.548 548 S HA 0.577 5.047 4.470 -0.000 0.000 0.277 548 S C 1.305 175.988 174.600 0.138 0.000 1.315 548 S CA 0.007 58.237 58.200 0.051 0.000 1.050 548 S CB 1.333 64.540 63.200 0.013 0.000 0.918 548 S HN 0.578 nan 8.310 nan 0.000 0.497 549 G N 1.879 110.753 108.800 0.122 0.000 2.176 549 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.253 549 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.253 549 G C 0.463 175.510 174.900 0.245 0.000 0.979 549 G CA 0.248 45.391 45.100 0.073 0.000 0.641 549 G HN 0.700 nan 8.290 nan 0.000 0.530 550 W N -0.013 121.246 121.300 -0.068 0.000 2.378 550 W HA 0.429 5.089 4.660 -0.000 0.000 0.313 550 W C 1.325 177.517 176.519 -0.546 0.000 1.197 550 W CA 1.509 58.620 57.345 -0.389 0.000 1.304 550 W CB -0.281 28.755 29.460 -0.706 0.000 1.148 550 W HN 0.203 nan 8.180 nan 0.000 0.494 551 F N -0.871 119.280 119.950 0.335 0.000 2.597 551 F HA 0.291 4.818 4.527 0.000 0.000 0.336 551 F C 0.620 176.566 175.800 0.243 0.000 1.432 551 F CA -0.539 57.646 58.000 0.308 0.000 1.120 551 F CB -0.251 38.891 39.000 0.237 0.000 1.253 551 F HN -0.384 nan 8.300 nan 0.000 0.546 552 V N -0.017 120.111 119.914 0.356 0.000 2.627 552 V HA 0.537 4.657 4.120 -0.000 0.000 0.239 552 V C 1.040 177.279 176.094 0.242 0.000 1.077 552 V CA 0.931 63.381 62.300 0.251 0.000 1.103 552 V CB 0.336 32.282 31.823 0.205 0.000 0.802 552 V HN 0.383 nan 8.190 nan 0.000 0.482 553 A N -0.952 121.977 122.820 0.181 0.000 2.583 553 A HA 0.790 5.110 4.320 -0.000 0.000 0.289 553 A C -0.274 176.982 177.584 -0.546 0.000 1.151 553 A CA 0.064 52.049 52.037 -0.087 0.000 0.695 553 A CB 1.145 19.937 19.000 -0.345 0.000 1.290 553 A HN 0.377 nan 8.150 nan 0.000 0.419 554 G N -1.382 106.819 108.800 -0.997 0.000 2.371 554 G HA2 0.549 4.509 3.960 -0.000 0.000 0.326 554 G HA3 0.549 4.509 3.960 -0.000 0.000 0.326 554 G C -0.981 173.274 174.900 -1.074 0.000 1.127 554 G CA -0.087 44.080 45.100 -1.556 0.000 0.885 554 G HN 0.571 nan 8.290 nan 0.000 0.477 555 Y N 0.850 120.944 120.300 -0.345 0.000 2.779 555 Y HA 0.315 4.865 4.550 0.000 0.000 0.251 555 Y C 1.367 177.190 175.900 -0.128 0.000 1.145 555 Y CA -0.816 57.179 58.100 -0.175 0.000 1.201 555 Y CB 0.585 38.964 38.460 -0.136 0.000 1.281 555 Y HN 0.480 nan 8.280 nan 0.000 0.563 556 S N 0.521 116.192 115.700 -0.049 0.000 2.544 556 S HA 0.343 4.813 4.470 -0.000 0.000 0.290 556 S C 1.394 176.015 174.600 0.035 0.000 1.276 556 S CA 1.452 59.656 58.200 0.006 0.000 1.075 556 S CB 0.090 63.298 63.200 0.014 0.000 0.849 556 S HN 0.982 nan 8.310 nan 0.000 0.494 557 G N 3.555 112.379 108.800 0.040 0.000 2.234 557 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.260 557 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.260 557 G C 0.868 175.801 174.900 0.055 0.000 0.987 557 G CA 0.410 45.541 45.100 0.052 0.000 0.625 557 G HN 1.231 nan 8.290 nan 0.000 0.532 558 G N -0.075 108.761 108.800 0.061 0.000 2.985 558 G HA2 0.377 4.337 3.960 -0.000 0.000 0.209 558 G HA3 0.377 4.337 3.960 -0.000 0.000 0.209 558 G C 0.492 175.414 174.900 0.037 0.000 1.165 558 G CA 1.192 46.342 45.100 0.083 0.000 0.776 558 G HN 1.233 nan 8.290 nan 0.000 0.541 559 D N -0.510 119.881 120.400 -0.015 0.000 2.699 559 D HA -0.159 4.481 4.640 -0.000 0.000 0.239 559 D C -0.119 176.118 176.300 -0.105 0.000 1.136 559 D CA 0.359 54.325 54.000 -0.057 0.000 0.668 559 D CB -1.173 39.606 40.800 -0.035 0.000 1.060 559 D HN 0.118 nan 8.370 nan 0.000 0.429 560 I N 1.277 121.743 120.570 -0.173 0.000 2.441 560 I HA 0.358 4.528 4.170 -0.000 0.000 0.295 560 I C -0.127 175.762 176.117 -0.381 0.000 0.994 560 I CA -0.780 60.307 61.300 -0.354 0.000 1.144 560 I CB 1.329 38.949 38.000 -0.634 0.000 1.314 560 I HN 0.094 nan 8.210 nan 0.000 0.445 561 Y N 5.589 125.574 120.300 -0.525 0.000 2.338 561 Y HA 0.414 4.964 4.550 -0.000 0.000 0.333 561 Y C -0.686 174.928 175.900 -0.476 0.000 0.968 561 Y CA -0.529 57.285 58.100 -0.477 0.000 1.123 561 Y CB 1.118 39.403 38.460 -0.292 0.000 1.165 561 Y HN 0.533 nan 8.280 nan 0.000 0.452 562 H N 4.301 122.732 119.070 -1.066 0.000 2.539 562 H HA 0.547 5.103 4.556 -0.000 0.000 0.247 562 H C -0.879 173.911 175.328 -0.896 0.000 1.363 562 H CA -0.521 54.987 56.048 -0.900 0.000 1.371 562 H CB 0.733 29.904 29.762 -0.985 0.000 1.438 562 H HN 0.517 nan 8.280 nan 0.000 0.523 563 S N 1.133 116.429 115.700 -0.673 0.000 2.533 563 S HA 0.426 4.896 4.470 -0.000 0.000 0.271 563 S C 0.237 174.786 174.600 -0.084 0.000 1.143 563 S CA -0.753 57.229 58.200 -0.363 0.000 0.891 563 S CB 1.389 64.302 63.200 -0.479 0.000 1.105 563 S HN 0.423 nan 8.310 nan 0.000 0.468 564 L N 0.000 121.216 121.223 -0.011 0.000 2.949 564 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 564 L CA 0.000 54.852 54.840 0.021 0.000 0.813 564 L CB 0.000 42.072 42.059 0.021 0.000 0.961 564 L HN 0.000 nan 8.230 nan 0.000 0.502