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 2j4f_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EXXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.659 174.600 0.098 0.000 1.055 4 S CA 0.000 58.238 58.200 0.063 0.000 1.107 4 S CB 0.000 63.232 63.200 0.053 0.000 0.593 5 E N 0.901 121.170 120.200 0.115 0.000 4.072 5 E HA -0.306 4.043 4.350 -0.001 0.000 0.199 5 E C 0.724 177.485 176.600 0.269 0.000 1.247 5 E CA 2.114 58.610 56.400 0.160 0.000 2.229 5 E CB -1.419 28.350 29.700 0.115 0.000 1.859 5 E HN 0.405 nan 8.360 nan 0.000 0.321 6 L N 0.257 121.605 121.223 0.208 0.000 2.162 6 L HA 0.273 4.613 4.340 -0.001 0.000 0.205 6 L C 0.984 178.082 176.870 0.381 0.000 1.086 6 L CA 1.251 56.218 54.840 0.212 0.000 0.778 6 L CB -0.240 41.842 42.059 0.037 0.000 0.928 6 L HN 0.523 nan 8.230 nan 0.000 0.446 7 L N 0.974 122.354 121.223 0.261 0.000 2.265 7 L HA 0.383 4.722 4.340 -0.001 0.000 0.288 7 L C -0.966 176.015 176.870 0.186 0.000 1.058 7 L CA 0.052 55.042 54.840 0.251 0.000 0.809 7 L CB 1.216 43.362 42.059 0.145 0.000 1.179 7 L HN -0.234 nan 8.230 nan 0.000 0.429 8 V N 5.196 125.204 119.914 0.155 0.000 2.823 8 V HA 0.475 4.595 4.120 -0.001 0.000 0.312 8 V C -0.211 175.797 176.094 -0.143 0.000 1.072 8 V CA -0.923 61.301 62.300 -0.127 0.000 0.937 8 V CB 2.231 33.726 31.823 -0.546 0.000 1.013 8 V HN 0.788 nan 8.190 nan 0.000 0.430 9 N N 1.914 120.443 118.700 -0.285 0.000 2.399 9 N HA 0.690 5.430 4.740 -0.001 0.000 0.295 9 N C -0.499 174.591 175.510 -0.700 0.000 1.048 9 N CA -0.083 52.757 53.050 -0.350 0.000 0.886 9 N CB 2.152 40.445 38.487 -0.323 0.000 1.185 9 N HN 0.950 nan 8.380 nan 0.000 0.487 10 T N -1.047 113.132 114.554 -0.625 0.000 2.864 10 T HA 0.423 4.772 4.350 -0.001 0.000 0.289 10 T C 0.926 175.238 174.700 -0.648 0.000 1.082 10 T CA -0.635 60.980 62.100 -0.808 0.000 1.009 10 T CB 1.419 70.139 68.868 -0.246 0.000 1.234 10 T HN 0.348 nan 8.240 nan 0.000 0.526 11 K N 0.261 120.382 120.400 -0.464 0.000 2.209 11 K HA -0.016 4.304 4.320 -0.001 0.000 0.204 11 K C 2.280 178.689 176.600 -0.320 0.000 1.048 11 K CA 1.120 57.228 56.287 -0.298 0.000 0.940 11 K CB -0.256 32.163 32.500 -0.134 0.000 0.729 11 K HN 0.449 nan 8.250 nan 0.000 0.451 12 S N -0.519 114.959 115.700 -0.370 0.000 2.446 12 S HA 0.100 4.570 4.470 -0.001 0.000 0.225 12 S C 0.541 174.455 174.600 -1.144 0.000 1.016 12 S CA 0.771 58.666 58.200 -0.508 0.000 0.943 12 S CB 0.250 63.377 63.200 -0.122 0.000 0.786 12 S HN 0.539 nan 8.310 nan 0.000 0.508 13 G N 0.169 108.370 108.800 -0.999 0.000 2.356 13 G HA2 0.186 4.145 3.960 -0.001 0.000 0.300 13 G HA3 0.186 4.145 3.960 -0.001 0.000 0.300 13 G C -1.883 172.794 174.900 -0.371 0.000 1.331 13 G CA -1.053 43.440 45.100 -1.010 0.000 0.905 13 G HN 0.150 nan 8.290 nan 0.000 0.587 14 K N -0.621 119.763 120.400 -0.026 0.000 2.298 14 K HA 0.529 4.849 4.320 -0.001 0.000 0.280 14 K C -0.668 176.281 176.600 0.581 0.000 1.032 14 K CA -0.464 55.935 56.287 0.187 0.000 0.958 14 K CB 2.106 34.694 32.500 0.148 0.000 0.978 14 K HN 0.438 nan 8.250 nan 0.000 0.472 15 V N 5.261 125.487 119.914 0.520 0.000 2.443 15 V HA 0.233 4.353 4.120 -0.001 0.000 0.293 15 V C -1.089 175.344 176.094 0.564 0.000 1.021 15 V CA -0.911 61.798 62.300 0.681 0.000 0.848 15 V CB 1.528 33.833 31.823 0.803 0.000 0.998 15 V HN 0.721 nan 8.190 nan 0.000 0.424 16 M N 7.623 127.485 119.600 0.436 0.000 2.135 16 M HA 0.597 5.076 4.480 -0.001 0.000 0.345 16 M C 0.525 176.959 176.300 0.223 0.000 1.340 16 M CA 0.290 55.765 55.300 0.290 0.000 1.162 16 M CB 0.215 32.905 32.600 0.151 0.000 1.570 16 M HN 0.666 nan 8.290 nan 0.000 0.454 17 G N 2.377 111.250 108.800 0.123 0.000 2.494 17 G HA2 0.533 4.492 3.960 -0.001 0.000 0.270 17 G HA3 0.533 4.492 3.960 -0.001 0.000 0.270 17 G C -0.786 173.888 174.900 -0.377 0.000 1.423 17 G CA -0.284 44.522 45.100 -0.489 0.000 1.055 17 G HN 0.677 nan 8.290 nan 0.000 0.536 18 T N -1.842 112.419 114.554 -0.487 0.000 2.896 18 T HA 0.539 4.889 4.350 -0.001 0.000 0.297 18 T C -0.874 173.675 174.700 -0.252 0.000 1.108 18 T CA -0.749 61.187 62.100 -0.273 0.000 1.004 18 T CB 1.595 70.339 68.868 -0.206 0.000 1.159 18 T HN 0.527 nan 8.240 nan 0.000 0.499 19 R N 3.073 123.491 120.500 -0.137 0.000 2.215 19 R HA 0.600 4.939 4.340 -0.001 0.000 0.337 19 R C -0.330 175.938 176.300 -0.053 0.000 1.010 19 R CA -0.612 55.442 56.100 -0.077 0.000 0.871 19 R CB 0.288 30.565 30.300 -0.037 0.000 1.134 19 R HN 0.575 nan 8.270 nan 0.000 0.477 20 V N 2.685 122.580 119.914 -0.031 0.000 2.539 20 V HA 0.648 4.768 4.120 -0.001 0.000 0.292 20 V C -2.294 173.781 176.094 -0.031 0.000 1.045 20 V CA -2.408 59.879 62.300 -0.022 0.000 0.945 20 V CB 1.258 33.092 31.823 0.019 0.000 0.993 20 V HN 0.679 nan 8.190 nan 0.000 0.464 21 P HA 0.351 nan 4.420 nan 0.000 0.279 21 P C -0.856 176.353 177.300 -0.151 0.000 1.239 21 P CA -0.037 63.016 63.100 -0.079 0.000 0.789 21 P CB 1.868 33.531 31.700 -0.060 0.000 0.933 22 V N 5.818 125.595 119.914 -0.229 0.000 2.668 22 V HA 0.268 4.387 4.120 -0.001 0.000 0.304 22 V C 0.420 176.220 176.094 -0.491 0.000 1.071 22 V CA -0.718 61.349 62.300 -0.389 0.000 0.894 22 V CB 1.187 32.727 31.823 -0.472 0.000 1.008 22 V HN 0.466 nan 8.190 nan 0.000 0.425 23 L N 4.598 125.651 121.223 -0.283 0.000 5.891 23 L HA -0.256 4.083 4.340 -0.001 0.000 0.053 23 L C 2.047 178.817 176.870 -0.168 0.000 2.528 23 L CA 2.684 57.398 54.840 -0.210 0.000 1.612 23 L CB -2.098 39.754 42.059 -0.345 0.000 2.817 23 L HN 1.154 nan 8.230 nan 0.000 0.990 24 S N -1.595 114.016 115.700 -0.148 0.000 2.575 24 S HA 0.238 4.708 4.470 -0.001 0.000 0.215 24 S C 0.701 175.282 174.600 -0.032 0.000 0.966 24 S CA 0.532 58.708 58.200 -0.041 0.000 0.911 24 S CB 0.460 63.684 63.200 0.040 0.000 0.780 24 S HN 0.564 nan 8.310 nan 0.000 0.514 25 S N -0.159 115.471 115.700 -0.116 0.000 3.137 25 S HA 0.779 5.249 4.470 -0.001 0.000 0.292 25 S C -0.037 174.529 174.600 -0.056 0.000 1.041 25 S CA -0.188 58.005 58.200 -0.011 0.000 0.956 25 S CB 0.109 63.434 63.200 0.209 0.000 1.360 25 S HN 0.766 nan 8.310 nan 0.000 0.690 26 H N -1.076 118.010 119.070 0.026 0.000 2.907 26 H HA 0.935 5.490 4.556 -0.001 0.000 0.361 26 H C -1.576 173.806 175.328 0.089 0.000 1.194 26 H CA -0.725 55.334 56.048 0.018 0.000 1.152 26 H CB 1.000 30.777 29.762 0.025 0.000 1.867 26 H HN 0.552 nan 8.280 nan 0.000 0.561 27 I N -0.116 120.504 120.570 0.083 0.000 2.908 27 I HA 0.418 4.587 4.170 -0.001 0.000 0.300 27 I C -0.360 175.828 176.117 0.118 0.000 1.385 27 I CA -0.252 61.139 61.300 0.151 0.000 1.004 27 I CB 2.568 40.689 38.000 0.202 0.000 1.309 27 I HN 0.742 nan 8.210 nan 0.000 0.449 28 S N 3.857 119.650 115.700 0.155 0.000 2.565 28 S HA 0.807 5.277 4.470 -0.001 0.000 0.276 28 S C -0.393 174.232 174.600 0.043 0.000 1.326 28 S CA -0.339 57.907 58.200 0.077 0.000 1.045 28 S CB 1.004 64.391 63.200 0.311 0.000 0.918 28 S HN 0.776 nan 8.310 nan 0.000 0.505 29 A N 2.458 125.110 122.820 -0.280 0.000 2.414 29 A HA 0.682 5.001 4.320 -0.001 0.000 0.286 29 A C -1.204 176.029 177.584 -0.585 0.000 1.073 29 A CA -0.672 51.152 52.037 -0.354 0.000 0.727 29 A CB 0.495 19.332 19.000 -0.271 0.000 1.215 29 A HN 0.674 nan 8.150 nan 0.000 0.430 30 F N 3.871 123.668 119.950 -0.255 0.000 2.311 30 F HA 0.432 4.958 4.527 -0.001 0.000 0.371 30 F C -0.275 175.370 175.800 -0.257 0.000 1.083 30 F CA -0.748 57.184 58.000 -0.114 0.000 1.113 30 F CB 1.317 40.354 39.000 0.061 0.000 1.349 30 F HN 0.253 nan 8.300 nan 0.000 0.470 31 L N 2.132 123.255 121.223 -0.166 0.000 2.307 31 L HA 0.568 4.907 4.340 -0.001 0.000 0.282 31 L C 1.005 177.882 176.870 0.012 0.000 1.051 31 L CA -0.606 54.125 54.840 -0.183 0.000 0.804 31 L CB 0.720 42.567 42.059 -0.354 0.000 1.197 31 L HN 0.835 nan 8.230 nan 0.000 0.431 32 G N 3.386 112.223 108.800 0.063 0.000 2.160 32 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.244 32 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.244 32 G C 0.201 175.240 174.900 0.231 0.000 1.022 32 G CA -0.249 44.936 45.100 0.142 0.000 0.741 32 G HN 0.493 nan 8.290 nan 0.000 0.508 33 I N 1.481 122.045 120.570 -0.010 0.000 2.517 33 I HA 0.207 4.377 4.170 -0.001 0.000 0.285 33 I C -1.636 174.165 176.117 -0.527 0.000 1.106 33 I CA -1.980 59.092 61.300 -0.379 0.000 1.402 33 I CB 0.854 38.645 38.000 -0.349 0.000 1.399 33 I HN -0.064 nan 8.210 nan 0.000 0.535 34 P HA 0.045 nan 4.420 nan 0.000 0.271 34 P C -0.178 176.721 177.300 -0.668 0.000 1.218 34 P CA 0.011 62.489 63.100 -1.037 0.000 0.780 34 P CB 0.394 31.388 31.700 -1.176 0.000 0.901 35 F N -0.105 119.508 119.950 -0.562 0.000 2.817 35 F HA 0.765 5.291 4.527 -0.001 0.000 0.333 35 F C -0.149 175.559 175.800 -0.152 0.000 1.085 35 F CA -0.913 56.844 58.000 -0.405 0.000 1.170 35 F CB -0.106 38.649 39.000 -0.408 0.000 1.066 35 F HN 0.308 nan 8.300 nan 0.000 0.564 36 A N 0.278 122.902 122.820 -0.327 0.000 2.594 36 A HA 0.574 4.894 4.320 -0.001 0.000 0.295 36 A C -0.882 176.546 177.584 -0.261 0.000 1.071 36 A CA -0.736 51.209 52.037 -0.153 0.000 0.685 36 A CB 1.080 20.017 19.000 -0.105 0.000 1.285 36 A HN 0.087 nan 8.150 nan 0.000 0.405 37 E N 1.274 121.404 120.200 -0.117 0.000 2.384 37 E HA 0.192 4.542 4.350 -0.001 0.000 0.266 37 E C -2.291 174.225 176.600 -0.141 0.000 1.012 37 E CA -1.200 55.137 56.400 -0.105 0.000 0.901 37 E CB 0.060 29.744 29.700 -0.027 0.000 0.967 37 E HN 0.238 nan 8.360 nan 0.000 0.435 38 P HA -0.057 nan 4.420 nan 0.000 0.256 38 P C -2.034 175.221 177.300 -0.076 0.000 1.173 38 P CA -0.433 62.602 63.100 -0.109 0.000 0.768 38 P CB 0.001 31.677 31.700 -0.039 0.000 0.758 39 P HA -0.044 nan 4.420 nan 0.000 0.269 39 P C 0.324 177.580 177.300 -0.074 0.000 1.601 39 P CA 0.210 63.272 63.100 -0.063 0.000 0.831 39 P CB -0.202 31.464 31.700 -0.058 0.000 1.688 40 V N -3.315 116.562 119.914 -0.062 0.000 3.743 40 V HA 0.747 4.867 4.120 -0.001 0.000 0.274 40 V C 1.264 177.331 176.094 -0.045 0.000 1.001 40 V CA 0.249 62.511 62.300 -0.063 0.000 0.890 40 V CB -0.550 31.246 31.823 -0.045 0.000 1.225 40 V HN 0.439 nan 8.190 nan 0.000 0.411 41 G N -0.414 108.367 108.800 -0.032 0.000 2.602 41 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.306 41 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.306 41 G C 0.754 175.650 174.900 -0.006 0.000 1.301 41 G CA 1.441 46.535 45.100 -0.010 0.000 0.974 41 G HN 2.172 nan 8.290 nan 0.000 0.547 42 N N -0.347 118.363 118.700 0.017 0.000 2.551 42 N HA 0.360 5.099 4.740 -0.001 0.000 0.199 42 N C 1.920 177.449 175.510 0.031 0.000 1.277 42 N CA 1.685 54.757 53.050 0.036 0.000 0.870 42 N CB -0.336 38.180 38.487 0.048 0.000 1.028 42 N HN 0.616 nan 8.380 nan 0.000 0.452 43 M N -0.709 118.893 119.600 0.003 0.000 2.371 43 M HA 0.162 4.642 4.480 -0.001 0.000 0.246 43 M C 0.886 177.170 176.300 -0.028 0.000 1.103 43 M CA -0.367 54.936 55.300 0.006 0.000 1.010 43 M CB 0.321 32.921 32.600 -0.000 0.000 1.457 43 M HN 0.268 nan 8.290 nan 0.000 0.486 44 R N 0.842 121.279 120.500 -0.105 0.000 2.504 44 R HA -0.099 4.241 4.340 -0.001 0.000 0.291 44 R C -0.306 175.810 176.300 -0.305 0.000 0.974 44 R CA 1.074 56.976 56.100 -0.329 0.000 1.077 44 R CB -0.213 29.801 30.300 -0.477 0.000 0.926 44 R HN 0.243 nan 8.270 nan 0.000 0.407 45 F N -0.252 119.736 119.950 0.064 0.000 2.552 45 F HA -0.335 4.191 4.527 -0.001 0.000 0.588 45 F C 0.706 176.522 175.800 0.026 0.000 0.507 45 F CA 1.492 59.510 58.000 0.030 0.000 1.012 45 F CB -1.523 37.486 39.000 0.014 0.000 1.788 45 F HN 0.606 nan 8.300 nan 0.000 0.260 46 R N 2.114 122.718 120.500 0.174 0.000 2.643 46 R HA 0.336 4.676 4.340 -0.001 0.000 0.270 46 R C 0.673 177.024 176.300 0.085 0.000 1.061 46 R CA -0.512 55.659 56.100 0.118 0.000 1.107 46 R CB 0.363 30.715 30.300 0.087 0.000 0.999 46 R HN 0.177 nan 8.270 nan 0.000 0.460 47 R N 2.539 123.087 120.500 0.080 0.000 2.817 47 R HA -0.002 4.338 4.340 -0.001 0.000 0.264 47 R C -1.887 174.452 176.300 0.066 0.000 1.009 47 R CA -0.773 55.372 56.100 0.074 0.000 1.133 47 R CB -0.217 30.129 30.300 0.077 0.000 1.013 47 R HN 0.431 nan 8.270 nan 0.000 0.453 48 P HA 0.096 nan 4.420 nan 0.000 0.280 48 P C -1.023 176.321 177.300 0.074 0.000 1.244 48 P CA -0.063 63.080 63.100 0.072 0.000 0.784 48 P CB 0.887 32.656 31.700 0.116 0.000 0.913 49 E N 3.969 124.200 120.200 0.051 0.000 2.277 49 E HA 0.317 4.667 4.350 -0.001 0.000 0.274 49 E C -2.140 174.501 176.600 0.069 0.000 1.022 49 E CA -2.022 54.411 56.400 0.055 0.000 0.853 49 E CB 0.375 30.098 29.700 0.039 0.000 1.086 49 E HN 0.372 nan 8.360 nan 0.000 0.397 50 P HA -0.040 nan 4.420 nan 0.000 0.271 50 P C -0.909 176.453 177.300 0.103 0.000 1.233 50 P CA -0.215 62.961 63.100 0.125 0.000 0.789 50 P CB 0.474 32.247 31.700 0.123 0.000 0.951 51 K N 2.120 122.602 120.400 0.137 0.000 2.349 51 K HA 0.094 4.413 4.320 -0.001 0.000 0.289 51 K C -0.296 176.403 176.600 0.165 0.000 1.064 51 K CA 0.169 56.528 56.287 0.120 0.000 0.947 51 K CB -0.347 32.233 32.500 0.134 0.000 1.007 51 K HN 0.180 nan 8.250 nan 0.000 0.478 52 K N 6.063 126.544 120.400 0.134 0.000 2.472 52 K HA 0.029 4.348 4.320 -0.001 0.000 0.280 52 K C -2.176 174.530 176.600 0.176 0.000 1.028 52 K CA -1.328 55.035 56.287 0.126 0.000 1.045 52 K CB -0.002 32.565 32.500 0.112 0.000 0.902 52 K HN 0.503 nan 8.250 nan 0.000 0.478 53 P HA -0.128 nan 4.420 nan 0.000 0.260 53 P C -0.868 176.495 177.300 0.104 0.000 1.172 53 P CA 0.205 63.277 63.100 -0.045 0.000 0.760 53 P CB 0.161 31.799 31.700 -0.104 0.000 0.773 54 W N 2.273 123.642 121.300 0.114 0.000 2.225 54 W HA 0.718 5.377 4.660 -0.001 0.000 0.377 54 W C -0.210 176.387 176.519 0.130 0.000 1.418 54 W CA -0.788 56.652 57.345 0.160 0.000 1.562 54 W CB 0.021 29.657 29.460 0.294 0.000 1.297 54 W HN 0.270 nan 8.180 nan 0.000 0.686 55 S N 0.294 116.241 115.700 0.411 0.000 2.541 55 S HA 0.685 5.154 4.470 -0.001 0.000 0.280 55 S C -0.271 174.512 174.600 0.306 0.000 1.112 55 S CA 0.102 58.443 58.200 0.234 0.000 0.925 55 S CB 0.593 63.879 63.200 0.143 0.000 1.067 55 S HN 1.972 nan 8.310 nan 0.000 0.479 56 G N 1.395 110.332 108.800 0.228 0.000 2.716 56 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.686 56 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.686 56 G C -0.306 174.789 174.900 0.325 0.000 1.337 56 G CA -0.509 44.715 45.100 0.207 0.000 0.829 56 G HN 2.002 nan 8.290 nan 0.000 0.599 57 V N -0.074 119.985 119.914 0.242 0.000 2.617 57 V HA 0.403 4.523 4.120 -0.001 0.000 0.304 57 V C 0.924 177.197 176.094 0.298 0.000 1.040 57 V CA -0.131 62.352 62.300 0.305 0.000 1.149 57 V CB 1.046 32.986 31.823 0.194 0.000 0.914 57 V HN 1.293 nan 8.190 nan 0.000 0.487 58 W N 6.017 127.469 121.300 0.254 0.000 2.332 58 W HA 0.318 4.978 4.660 -0.001 0.000 0.306 58 W C 0.257 176.789 176.519 0.022 0.000 1.149 58 W CA -0.904 56.412 57.345 -0.050 0.000 1.271 58 W CB 0.630 29.843 29.460 -0.413 0.000 1.243 58 W HN 0.920 nan 8.180 nan 0.000 0.459 59 N N 4.336 122.795 118.700 -0.402 0.000 2.416 59 N HA 0.190 4.930 4.740 -0.001 0.000 0.271 59 N C 0.037 175.504 175.510 -0.071 0.000 1.245 59 N CA 0.090 53.023 53.050 -0.195 0.000 0.940 59 N CB 0.457 38.785 38.487 -0.265 0.000 1.175 59 N HN 0.440 nan 8.380 nan 0.000 0.483 60 A N 2.950 125.872 122.820 0.169 0.000 3.264 60 A HA 0.144 4.463 4.320 -0.001 0.000 0.299 60 A C 0.926 178.505 177.584 -0.008 0.000 1.272 60 A CA -0.511 51.655 52.037 0.215 0.000 1.030 60 A CB -0.228 19.013 19.000 0.401 0.000 1.102 60 A HN 0.680 nan 8.150 nan 0.000 0.615 61 S N -1.062 114.595 115.700 -0.072 0.000 2.539 61 S HA 0.165 4.634 4.470 -0.001 0.000 0.221 61 S C 0.573 175.079 174.600 -0.157 0.000 0.987 61 S CA 0.512 58.628 58.200 -0.139 0.000 0.929 61 S CB -0.202 62.926 63.200 -0.120 0.000 0.832 61 S HN 0.753 nan 8.310 nan 0.000 0.492 62 T N -0.675 113.802 114.554 -0.128 0.000 2.921 62 T HA 0.555 4.905 4.350 -0.001 0.000 0.297 62 T C -0.618 174.050 174.700 -0.053 0.000 1.013 62 T CA -0.715 61.319 62.100 -0.111 0.000 0.990 62 T CB 0.490 69.314 68.868 -0.073 0.000 1.023 62 T HN 0.207 nan 8.240 nan 0.000 0.447 63 Y N 3.717 123.997 120.300 -0.033 0.000 2.987 63 Y HA 0.104 4.654 4.550 -0.001 0.000 0.339 63 Y C -1.199 174.650 175.900 -0.086 0.000 1.272 63 Y CA -0.873 57.212 58.100 -0.025 0.000 1.562 63 Y CB 0.419 38.889 38.460 0.017 0.000 1.253 63 Y HN 0.517 nan 8.280 nan 0.000 0.604 64 P HA 0.036 nan 4.420 nan 0.000 0.275 64 P C -1.025 176.201 177.300 -0.123 0.000 1.266 64 P CA -0.353 62.640 63.100 -0.178 0.000 0.793 64 P CB 0.839 32.411 31.700 -0.214 0.000 1.074 65 N N -0.433 118.140 118.700 -0.211 0.000 2.354 65 N HA 0.102 4.842 4.740 -0.001 0.000 0.246 65 N C 0.060 175.536 175.510 -0.058 0.000 1.285 65 N CA -0.181 52.801 53.050 -0.114 0.000 0.925 65 N CB 0.142 38.562 38.487 -0.113 0.000 1.174 65 N HN 0.430 nan 8.380 nan 0.000 0.478 66 N N -0.333 118.334 118.700 -0.055 0.000 2.405 66 N HA 0.307 5.047 4.740 -0.001 0.000 0.299 66 N C -0.797 174.683 175.510 -0.050 0.000 1.075 66 N CA -0.812 52.211 53.050 -0.045 0.000 0.884 66 N CB 1.298 39.737 38.487 -0.080 0.000 1.194 66 N HN 0.398 nan 8.380 nan 0.000 0.491 67 c N 1.445 120.027 118.600 -0.030 0.000 2.702 67 c HA -0.016 4.554 4.570 -0.001 0.000 0.411 67 c C 0.827 174.866 174.090 -0.084 0.000 1.286 67 c CA -0.479 55.816 56.329 -0.055 0.000 1.979 67 c CB -0.276 42.238 42.510 0.007 0.000 2.728 67 c HN 0.526 nan 8.230 nan 0.000 0.652 68 Q N 2.470 122.150 119.800 -0.201 0.000 2.274 68 Q HA 0.201 4.540 4.340 -0.001 0.000 0.280 68 Q C -0.010 176.045 176.000 0.091 0.000 1.047 68 Q CA 0.970 56.664 55.803 -0.181 0.000 0.907 68 Q CB 0.381 28.726 28.738 -0.654 0.000 1.171 68 Q HN 0.893 nan 8.270 nan 0.000 0.381 69 Q N 1.070 120.969 119.800 0.166 0.000 2.534 69 Q HA 0.321 4.660 4.340 -0.001 0.000 0.290 69 Q C -1.298 174.908 176.000 0.344 0.000 0.991 69 Q CA -1.061 54.913 55.803 0.284 0.000 0.783 69 Q CB 0.783 29.615 28.738 0.156 0.000 1.470 69 Q HN 0.464 nan 8.270 nan 0.000 0.406 70 Y N 2.020 122.539 120.300 0.365 0.000 2.697 70 Y HA 0.294 4.843 4.550 -0.001 0.000 0.349 70 Y C -0.559 175.546 175.900 0.342 0.000 1.120 70 Y CA -0.148 58.196 58.100 0.407 0.000 1.468 70 Y CB 0.267 39.097 38.460 0.616 0.000 1.182 70 Y HN 0.480 nan 8.280 nan 0.000 0.525 71 V N 5.088 124.906 119.914 -0.159 0.000 3.376 71 V HA -0.014 4.105 4.120 -0.001 0.000 0.303 71 V C 0.011 175.826 176.094 -0.466 0.000 1.100 71 V CA -0.207 61.986 62.300 -0.180 0.000 1.126 71 V CB 0.972 32.728 31.823 -0.110 0.000 1.085 71 V HN 0.762 nan 8.190 nan 0.000 0.480 72 D N 0.053 120.365 120.400 -0.147 0.000 2.446 72 D HA 0.256 4.895 4.640 -0.001 0.000 0.251 72 D C 0.587 176.917 176.300 0.051 0.000 1.137 72 D CA -0.346 53.635 54.000 -0.032 0.000 0.890 72 D CB 0.856 41.824 40.800 0.280 0.000 1.071 72 D HN 0.584 nan 8.370 nan 0.000 0.528 73 E N 2.128 122.305 120.200 -0.038 0.000 2.489 73 E HA -0.060 4.289 4.350 -0.001 0.000 0.193 73 E C 1.215 177.783 176.600 -0.054 0.000 1.057 73 E CA -0.064 56.326 56.400 -0.016 0.000 0.866 73 E CB 0.397 30.070 29.700 -0.045 0.000 0.916 73 E HN 0.593 nan 8.360 nan 0.000 0.500 74 Q N -0.340 119.422 119.800 -0.064 0.000 2.308 74 Q HA -0.113 4.226 4.340 -0.001 0.000 0.209 74 Q C -0.104 175.360 176.000 -0.893 0.000 0.985 74 Q CA 1.109 56.645 55.803 -0.446 0.000 0.881 74 Q CB 0.120 28.578 28.738 -0.468 0.000 0.917 74 Q HN 0.276 nan 8.270 nan 0.000 0.443 75 F N -0.745 119.253 119.950 0.080 0.000 2.824 75 F HA 0.284 4.811 4.527 -0.001 0.000 0.368 75 F C -2.326 173.544 175.800 0.117 0.000 1.398 75 F CA -1.950 56.093 58.000 0.071 0.000 1.142 75 F CB 1.200 40.287 39.000 0.145 0.000 1.997 75 F HN -0.189 nan 8.300 nan 0.000 0.598 76 P HA 0.052 nan 4.420 nan 0.000 0.259 76 P C 1.042 178.412 177.300 0.117 0.000 1.163 76 P CA 1.772 64.932 63.100 0.100 0.000 0.760 76 P CB 0.563 32.286 31.700 0.038 0.000 0.762 77 G N 2.853 111.707 108.800 0.090 0.000 2.220 77 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.269 77 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.269 77 G C 0.109 175.064 174.900 0.091 0.000 0.977 77 G CA -0.225 44.911 45.100 0.060 0.000 0.634 77 G HN 0.561 nan 8.290 nan 0.000 0.539 78 F N 3.100 123.030 119.950 -0.033 0.000 2.471 78 F HA 0.587 5.113 4.527 -0.001 0.000 0.365 78 F C 1.472 177.187 175.800 -0.142 0.000 1.095 78 F CA -0.132 57.794 58.000 -0.123 0.000 1.174 78 F CB 0.614 39.525 39.000 -0.149 0.000 1.105 78 F HN 0.028 nan 8.300 nan 0.000 0.535 79 S N 4.343 119.712 115.700 -0.552 0.000 2.377 79 S HA -0.253 4.217 4.470 -0.001 0.000 0.224 79 S C 2.356 176.500 174.600 -0.759 0.000 1.042 79 S CA 1.805 59.666 58.200 -0.565 0.000 1.086 79 S CB -1.199 61.718 63.200 -0.472 0.000 0.995 79 S HN 0.972 nan 8.310 nan 0.000 0.428 80 G N 1.103 109.010 108.800 -1.488 0.000 2.681 80 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.224 80 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.224 80 G C 1.624 176.645 174.900 0.201 0.000 1.100 80 G CA 1.962 46.437 45.100 -1.042 0.000 0.743 80 G HN 0.709 nan 8.290 nan 0.000 0.612 81 S N -0.930 114.780 115.700 0.017 0.000 2.510 81 S HA 0.125 4.595 4.470 -0.001 0.000 0.230 81 S C 1.932 176.763 174.600 0.384 0.000 1.066 81 S CA 0.899 59.508 58.200 0.681 0.000 0.941 81 S CB -0.038 63.665 63.200 0.838 0.000 0.829 81 S HN 0.206 nan 8.310 nan 0.000 0.530 82 E N 2.537 122.797 120.200 0.100 0.000 2.153 82 E HA -0.132 4.217 4.350 -0.001 0.000 0.194 82 E C 2.165 178.685 176.600 -0.134 0.000 0.988 82 E CA 1.485 57.887 56.400 0.003 0.000 0.811 82 E CB -0.619 29.052 29.700 -0.048 0.000 0.746 82 E HN 0.889 nan 8.360 nan 0.000 0.466 83 M N -2.076 117.337 119.600 -0.312 0.000 2.426 83 M HA -0.132 4.348 4.480 -0.001 0.000 0.261 83 M C 1.185 177.043 176.300 -0.736 0.000 1.068 83 M CA 1.549 56.491 55.300 -0.596 0.000 1.066 83 M CB -0.576 31.527 32.600 -0.828 0.000 1.399 83 M HN 0.028 nan 8.290 nan 0.000 0.449 84 W N 0.906 122.121 121.300 -0.142 0.000 3.177 84 W HA 0.307 4.967 4.660 -0.001 0.000 0.309 84 W C 0.261 176.683 176.519 -0.163 0.000 1.224 84 W CA -0.929 56.299 57.345 -0.195 0.000 1.718 84 W CB -0.040 29.342 29.460 -0.130 0.000 1.078 84 W HN 0.082 nan 8.180 nan 0.000 0.618 85 N N 2.983 121.715 118.700 0.054 0.000 2.530 85 N HA 0.122 4.861 4.740 -0.001 0.000 0.277 85 N C -2.372 173.096 175.510 -0.070 0.000 1.168 85 N CA -1.329 51.729 53.050 0.013 0.000 0.979 85 N CB 0.297 38.797 38.487 0.021 0.000 1.141 85 N HN -0.293 nan 8.380 nan 0.000 0.459 86 P HA -0.025 nan 4.420 nan 0.000 0.260 86 P C -0.163 177.078 177.300 -0.099 0.000 1.185 86 P CA 0.278 63.316 63.100 -0.103 0.000 0.763 86 P CB -0.050 31.603 31.700 -0.078 0.000 0.776 87 N N 2.508 121.131 118.700 -0.129 0.000 2.251 87 N HA 0.067 4.806 4.740 -0.001 0.000 0.217 87 N C 0.190 175.643 175.510 -0.096 0.000 1.124 87 N CA -0.722 52.257 53.050 -0.118 0.000 0.843 87 N CB 0.279 38.673 38.487 -0.155 0.000 1.024 87 N HN 0.120 nan 8.380 nan 0.000 0.501 88 R N -0.129 120.319 120.500 -0.088 0.000 2.855 88 R HA 0.204 4.543 4.340 -0.001 0.000 0.266 88 R C -1.083 175.181 176.300 -0.060 0.000 1.034 88 R CA -0.833 55.227 56.100 -0.066 0.000 0.944 88 R CB 0.622 30.883 30.300 -0.065 0.000 1.219 88 R HN 0.092 nan 8.270 nan 0.000 0.474 89 E N 2.049 122.217 120.200 -0.054 0.000 2.406 89 E HA 0.058 4.407 4.350 -0.001 0.000 0.258 89 E C 0.100 176.665 176.600 -0.060 0.000 1.043 89 E CA -0.000 56.368 56.400 -0.052 0.000 0.929 89 E CB -0.078 29.593 29.700 -0.050 0.000 0.969 89 E HN 0.346 nan 8.360 nan 0.000 0.462 90 M N 3.629 123.195 119.600 -0.057 0.000 2.248 90 M HA 0.215 4.694 4.480 -0.001 0.000 0.337 90 M C 0.447 176.699 176.300 -0.081 0.000 1.121 90 M CA 0.712 55.972 55.300 -0.068 0.000 1.155 90 M CB 1.040 33.605 32.600 -0.059 0.000 1.514 90 M HN 0.588 nan 8.290 nan 0.000 0.452 91 S N 0.262 115.901 115.700 -0.101 0.000 2.567 91 S HA 0.227 4.697 4.470 -0.001 0.000 0.270 91 S C 0.119 174.631 174.600 -0.147 0.000 1.152 91 S CA -0.739 57.396 58.200 -0.109 0.000 0.835 91 S CB 1.416 64.574 63.200 -0.070 0.000 1.115 91 S HN 0.804 nan 8.310 nan 0.000 0.459 92 E N 0.769 120.861 120.200 -0.180 0.000 2.216 92 E HA -0.070 4.279 4.350 -0.001 0.000 0.192 92 E C -0.268 176.271 176.600 -0.103 0.000 0.988 92 E CA 0.466 56.735 56.400 -0.220 0.000 0.834 92 E CB 0.022 29.576 29.700 -0.243 0.000 0.772 92 E HN 0.540 nan 8.360 nan 0.000 0.479 93 D N 0.738 121.113 120.400 -0.042 0.000 2.551 93 D HA -0.023 4.617 4.640 -0.001 0.000 0.223 93 D C 0.360 176.754 176.300 0.157 0.000 1.144 93 D CA -0.205 53.827 54.000 0.053 0.000 1.025 93 D CB -0.335 40.513 40.800 0.080 0.000 1.085 93 D HN 0.140 nan 8.370 nan 0.000 0.506 94 c N 1.449 120.121 118.600 0.119 0.000 3.785 94 c HA 0.375 4.945 4.570 -0.001 0.000 0.312 94 c C 0.996 175.216 174.090 0.216 0.000 1.566 94 c CA -0.667 55.768 56.329 0.176 0.000 1.837 94 c CB -1.270 41.272 42.510 0.052 0.000 2.826 94 c HN 0.388 nan 8.230 nan 0.000 0.667 95 L N 2.645 123.825 121.223 -0.072 0.000 2.451 95 L HA 0.281 4.621 4.340 -0.001 0.000 0.272 95 L C -1.020 175.292 176.870 -0.929 0.000 1.258 95 L CA 0.713 55.241 54.840 -0.519 0.000 1.132 95 L CB -0.832 40.795 42.059 -0.720 0.000 1.361 95 L HN 0.393 nan 8.230 nan 0.000 0.438 96 Y N 1.471 121.532 120.300 -0.398 0.000 2.492 96 Y HA 0.512 5.062 4.550 -0.001 0.000 0.346 96 Y C -0.065 175.868 175.900 0.056 0.000 0.997 96 Y CA -1.378 56.569 58.100 -0.255 0.000 1.025 96 Y CB 1.804 40.178 38.460 -0.142 0.000 1.263 96 Y HN 0.181 nan 8.280 nan 0.000 0.454 97 L N 0.491 121.846 121.223 0.221 0.000 2.332 97 L HA 0.773 5.112 4.340 -0.001 0.000 0.269 97 L C -0.793 176.111 176.870 0.058 0.000 1.016 97 L CA -0.902 54.052 54.840 0.190 0.000 0.809 97 L CB 1.128 43.250 42.059 0.105 0.000 1.280 97 L HN 0.431 nan 8.230 nan 0.000 0.447 98 N N 1.349 120.080 118.700 0.051 0.000 2.269 98 N HA 0.661 5.401 4.740 -0.001 0.000 0.304 98 N C -1.296 174.072 175.510 -0.237 0.000 1.072 98 N CA -0.199 52.754 53.050 -0.161 0.000 0.802 98 N CB 2.605 40.981 38.487 -0.186 0.000 1.348 98 N HN 0.639 nan 8.380 nan 0.000 0.484 99 I N 0.818 121.160 120.570 -0.380 0.000 2.468 99 I HA 0.320 4.490 4.170 -0.001 0.000 0.285 99 I C -0.723 175.299 176.117 -0.158 0.000 1.039 99 I CA -0.657 60.526 61.300 -0.194 0.000 1.074 99 I CB 1.854 39.659 38.000 -0.326 0.000 1.228 99 I HN 0.240 nan 8.210 nan 0.000 0.436 100 W N 6.466 127.877 121.300 0.185 0.000 2.291 100 W HA 0.485 5.144 4.660 -0.001 0.000 0.312 100 W C -0.772 175.866 176.519 0.198 0.000 1.061 100 W CA -0.598 56.856 57.345 0.181 0.000 1.296 100 W CB 1.848 31.388 29.460 0.133 0.000 1.223 100 W HN 0.112 nan 8.180 nan 0.000 0.421 101 V N 6.113 126.271 119.914 0.407 0.000 2.417 101 V HA 0.238 4.357 4.120 -0.001 0.000 0.291 101 V C -1.795 174.477 176.094 0.297 0.000 1.024 101 V CA -2.243 60.269 62.300 0.352 0.000 0.861 101 V CB 1.643 33.729 31.823 0.439 0.000 0.985 101 V HN 0.233 nan 8.190 nan 0.000 0.436 102 P HA 0.008 nan 4.420 nan 0.000 0.270 102 P C -0.493 176.911 177.300 0.173 0.000 1.216 102 P CA 0.376 63.583 63.100 0.178 0.000 0.788 102 P CB 0.431 32.195 31.700 0.107 0.000 0.883 103 S N 0.970 116.761 115.700 0.151 0.000 2.647 103 S HA 0.512 4.981 4.470 -0.001 0.000 0.300 103 S C -2.606 172.051 174.600 0.095 0.000 1.129 103 S CA -1.490 56.790 58.200 0.133 0.000 1.029 103 S CB 0.254 63.540 63.200 0.143 0.000 1.007 103 S HN 0.244 nan 8.310 nan 0.000 0.484 104 P HA 0.167 nan 4.420 nan 0.000 0.271 104 P C -0.434 176.920 177.300 0.091 0.000 1.216 104 P CA -0.551 62.597 63.100 0.080 0.000 0.776 104 P CB 0.413 32.147 31.700 0.058 0.000 0.881 105 R N 3.393 123.961 120.500 0.114 0.000 2.504 105 R HA 0.058 4.398 4.340 -0.001 0.000 0.291 105 R C -1.995 174.357 176.300 0.087 0.000 0.974 105 R CA -0.787 55.389 56.100 0.128 0.000 1.077 105 R CB -0.429 29.957 30.300 0.143 0.000 0.926 105 R HN 0.359 nan 8.270 nan 0.000 0.407 106 P HA 0.048 nan 4.420 nan 0.000 0.274 106 P C -0.121 177.202 177.300 0.038 0.000 1.260 106 P CA -0.322 62.809 63.100 0.051 0.000 0.793 106 P CB 0.619 32.349 31.700 0.051 0.000 1.048 107 K N -0.844 119.566 120.400 0.017 0.000 2.276 107 K HA 0.244 4.564 4.320 -0.001 0.000 0.198 107 K C 0.018 176.608 176.600 -0.016 0.000 1.052 107 K CA 0.846 57.134 56.287 0.001 0.000 0.984 107 K CB 0.061 32.557 32.500 -0.006 0.000 0.836 107 K HN 0.257 nan 8.250 nan 0.000 0.490 108 S N 0.001 115.692 115.700 -0.014 0.000 2.388 108 S HA 0.146 4.616 4.470 -0.001 0.000 0.279 108 S C -1.065 173.523 174.600 -0.019 0.000 0.987 108 S CA -0.532 57.651 58.200 -0.028 0.000 0.993 108 S CB 1.232 64.400 63.200 -0.052 0.000 1.207 108 S HN 0.159 nan 8.310 nan 0.000 0.425 109 T N 1.525 116.075 114.554 -0.007 0.000 2.858 109 T HA 0.664 5.013 4.350 -0.001 0.000 0.285 109 T C -0.104 174.589 174.700 -0.012 0.000 1.052 109 T CA -0.244 61.852 62.100 -0.006 0.000 1.009 109 T CB 1.284 70.159 68.868 0.012 0.000 1.241 109 T HN 0.425 nan 8.240 nan 0.000 0.542 110 T N 1.716 116.259 114.554 -0.018 0.000 2.932 110 T HA 0.412 4.761 4.350 -0.001 0.000 0.312 110 T C -0.315 174.382 174.700 -0.004 0.000 1.071 110 T CA -0.255 61.829 62.100 -0.027 0.000 1.128 110 T CB 0.425 69.265 68.868 -0.046 0.000 0.984 110 T HN 0.415 nan 8.240 nan 0.000 0.549 111 V N 4.163 124.076 119.914 -0.002 0.000 2.628 111 V HA 0.520 4.640 4.120 -0.001 0.000 0.306 111 V C -0.104 176.000 176.094 0.016 0.000 1.045 111 V CA -0.752 61.566 62.300 0.031 0.000 0.905 111 V CB 1.760 33.608 31.823 0.041 0.000 0.997 111 V HN 0.831 nan 8.190 nan 0.000 0.436 112 M N 4.432 124.053 119.600 0.035 0.000 2.106 112 M HA 0.475 4.954 4.480 -0.001 0.000 0.288 112 M C -1.293 175.126 176.300 0.198 0.000 0.941 112 M CA -0.501 54.781 55.300 -0.029 0.000 0.934 112 M CB 2.062 34.497 32.600 -0.274 0.000 1.551 112 M HN 0.366 nan 8.290 nan 0.000 0.437 113 V N 3.461 123.539 119.914 0.272 0.000 2.439 113 V HA 0.364 4.483 4.120 -0.001 0.000 0.282 113 V C -0.711 175.798 176.094 0.691 0.000 1.039 113 V CA -0.452 62.079 62.300 0.385 0.000 0.913 113 V CB 1.475 33.413 31.823 0.191 0.000 0.983 113 V HN 0.845 nan 8.190 nan 0.000 0.460 114 W N 6.896 128.470 121.300 0.457 0.000 2.478 114 W HA 0.659 5.318 4.660 -0.001 0.000 0.318 114 W C -1.512 175.014 176.519 0.011 0.000 1.062 114 W CA -0.960 56.501 57.345 0.194 0.000 1.210 114 W CB 1.453 30.987 29.460 0.123 0.000 1.325 114 W HN 0.436 nan 8.180 nan 0.000 0.496 115 I N 8.799 128.905 120.570 -0.775 0.000 2.354 115 I HA 0.094 4.263 4.170 -0.001 0.000 0.286 115 I C -0.118 175.272 176.117 -1.211 0.000 1.007 115 I CA -1.127 59.730 61.300 -0.738 0.000 1.167 115 I CB 0.664 38.393 38.000 -0.452 0.000 1.320 115 I HN 0.291 nan 8.210 nan 0.000 0.458 116 Y N 4.564 124.412 120.300 -0.753 0.000 2.426 116 Y HA 0.618 5.168 4.550 -0.001 0.000 0.344 116 Y C 0.849 176.537 175.900 -0.352 0.000 1.256 116 Y CA -0.946 56.779 58.100 -0.626 0.000 1.451 116 Y CB -0.304 38.109 38.460 -0.079 0.000 1.342 116 Y HN 0.560 nan 8.280 nan 0.000 0.600 117 G N -0.671 108.136 108.800 0.013 0.000 2.714 117 G HA2 0.453 4.412 3.960 -0.001 0.000 0.197 117 G HA3 0.453 4.412 3.960 -0.001 0.000 0.197 117 G C 0.406 175.195 174.900 -0.184 0.000 1.449 117 G CA -0.817 44.209 45.100 -0.123 0.000 1.065 117 G HN 1.818 nan 8.290 nan 0.000 0.575 118 G N -2.063 106.517 108.800 -0.367 0.000 2.288 118 G HA2 0.340 4.300 3.960 -0.001 0.000 0.205 118 G HA3 0.340 4.300 3.960 -0.001 0.000 0.205 118 G C 1.145 175.540 174.900 -0.842 0.000 1.071 118 G CA 0.603 45.346 45.100 -0.595 0.000 0.788 118 G HN 2.238 nan 8.290 nan 0.000 0.491 119 G N -0.598 107.724 108.800 -0.796 0.000 2.473 119 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.307 119 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.307 119 G C 1.041 175.651 174.900 -0.484 0.000 0.937 119 G CA 1.039 45.481 45.100 -1.098 0.000 0.947 119 G HN 1.929 nan 8.290 nan 0.000 0.513 120 F N -3.936 115.864 119.950 -0.250 0.000 2.825 120 F HA -0.364 4.162 4.527 -0.001 0.000 0.358 120 F C 1.627 177.439 175.800 0.020 0.000 0.639 120 F CA 2.207 60.160 58.000 -0.078 0.000 1.153 120 F CB -1.996 36.799 39.000 -0.342 0.000 1.610 120 F HN 0.728 nan 8.300 nan 0.000 0.305 121 Y N -0.412 119.895 120.300 0.012 0.000 2.458 121 Y HA 0.604 5.153 4.550 -0.001 0.000 0.254 121 Y C 0.756 176.735 175.900 0.133 0.000 1.120 121 Y CA 0.311 58.459 58.100 0.081 0.000 1.282 121 Y CB -0.063 38.368 38.460 -0.047 0.000 1.109 121 Y HN 0.069 nan 8.280 nan 0.000 0.526 122 S N -0.654 114.725 115.700 -0.535 0.000 2.685 122 S HA 0.916 5.386 4.470 -0.001 0.000 0.282 122 S C -0.280 174.056 174.600 -0.439 0.000 1.159 122 S CA -0.502 57.466 58.200 -0.386 0.000 0.833 122 S CB 1.657 64.553 63.200 -0.508 0.000 1.151 122 S HN 1.139 nan 8.310 nan 0.000 0.485 123 G N -0.060 108.426 108.800 -0.523 0.000 2.312 123 G HA2 0.446 4.405 3.960 -0.001 0.000 0.322 123 G HA3 0.446 4.405 3.960 -0.001 0.000 0.322 123 G C -1.307 172.806 174.900 -1.312 0.000 1.645 123 G CA -0.567 43.870 45.100 -1.106 0.000 0.919 123 G HN 1.098 nan 8.290 nan 0.000 0.699 124 S N -0.250 114.817 115.700 -1.054 0.000 2.548 124 S HA 0.653 5.123 4.470 -0.001 0.000 0.276 124 S C 0.896 175.546 174.600 0.084 0.000 1.129 124 S CA -0.049 57.896 58.200 -0.424 0.000 0.931 124 S CB 1.877 64.935 63.200 -0.236 0.000 1.068 124 S HN 1.713 nan 8.310 nan 0.000 0.480 125 S N -0.022 115.911 115.700 0.389 0.000 2.558 125 S HA -0.039 4.430 4.470 -0.001 0.000 0.217 125 S C 1.378 176.202 174.600 0.373 0.000 0.975 125 S CA 0.605 59.166 58.200 0.603 0.000 0.912 125 S CB -0.572 62.960 63.200 0.553 0.000 0.776 125 S HN 0.822 nan 8.310 nan 0.000 0.526 126 T N 0.106 114.683 114.554 0.038 0.000 3.086 126 T HA 0.391 4.740 4.350 -0.001 0.000 0.250 126 T C 0.596 175.033 174.700 -0.439 0.000 1.074 126 T CA -0.501 61.326 62.100 -0.454 0.000 0.988 126 T CB -0.556 67.951 68.868 -0.602 0.000 0.988 126 T HN 0.298 nan 8.240 nan 0.000 0.530 127 L N 2.034 123.104 121.223 -0.256 0.000 2.499 127 L HA 0.101 4.440 4.340 -0.001 0.000 0.281 127 L C 1.403 178.052 176.870 -0.369 0.000 1.234 127 L CA -0.387 54.202 54.840 -0.418 0.000 0.839 127 L CB 0.302 41.913 42.059 -0.747 0.000 1.104 127 L HN 0.072 nan 8.230 nan 0.000 0.500 128 D N 0.916 121.095 120.400 -0.367 0.000 2.117 128 D HA -0.134 4.505 4.640 -0.001 0.000 0.197 128 D C 1.921 178.057 176.300 -0.273 0.000 0.987 128 D CA 1.412 55.263 54.000 -0.249 0.000 0.829 128 D CB -0.056 40.608 40.800 -0.226 0.000 0.961 128 D HN 0.523 nan 8.370 nan 0.000 0.460 129 V N -1.514 118.116 119.914 -0.473 0.000 3.510 129 V HA -0.081 4.038 4.120 -0.001 0.000 0.270 129 V C 1.215 177.008 176.094 -0.501 0.000 1.201 129 V CA 0.854 62.884 62.300 -0.451 0.000 1.166 129 V CB -0.968 30.515 31.823 -0.567 0.000 0.825 129 V HN 0.041 nan 8.190 nan 0.000 0.484 130 Y N 0.042 119.974 120.300 -0.613 0.000 2.458 130 Y HA 0.410 4.960 4.550 -0.001 0.000 0.256 130 Y C 1.267 176.927 175.900 -0.399 0.000 1.159 130 Y CA -1.337 56.225 58.100 -0.896 0.000 1.261 130 Y CB -0.640 37.582 38.460 -0.397 0.000 1.119 130 Y HN 0.323 nan 8.280 nan 0.000 0.524 131 N N 1.615 120.253 118.700 -0.104 0.000 2.400 131 N HA -0.025 4.714 4.740 -0.001 0.000 0.278 131 N C 1.328 176.561 175.510 -0.462 0.000 1.247 131 N CA 0.444 53.322 53.050 -0.287 0.000 0.970 131 N CB 0.663 39.103 38.487 -0.077 0.000 1.312 131 N HN 0.396 nan 8.380 nan 0.000 0.488 132 G N 3.030 111.229 108.800 -1.002 0.000 2.807 132 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.207 132 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.207 132 G C 1.442 175.937 174.900 -0.675 0.000 1.151 132 G CA 0.518 45.267 45.100 -0.585 0.000 0.800 132 G HN 0.749 nan 8.290 nan 0.000 0.523 133 K N -0.538 119.213 120.400 -1.080 0.000 2.113 133 K HA -0.189 4.130 4.320 -0.001 0.000 0.208 133 K C 1.667 178.035 176.600 -0.386 0.000 1.047 133 K CA 1.474 57.350 56.287 -0.686 0.000 0.928 133 K CB -0.495 31.569 32.500 -0.728 0.000 0.716 133 K HN 0.395 nan 8.250 nan 0.000 0.446 134 Y N 0.314 120.523 120.300 -0.151 0.000 2.365 134 Y HA 0.022 4.572 4.550 -0.001 0.000 0.293 134 Y C 2.175 178.070 175.900 -0.009 0.000 1.119 134 Y CA 0.127 58.194 58.100 -0.055 0.000 1.203 134 Y CB -0.304 38.100 38.460 -0.094 0.000 1.026 134 Y HN 0.000 nan 8.280 nan 0.000 0.549 135 L N 0.529 121.778 121.223 0.043 0.000 2.023 135 L HA -0.037 4.302 4.340 -0.001 0.000 0.205 135 L C 2.415 179.303 176.870 0.029 0.000 1.073 135 L CA 1.910 56.729 54.840 -0.035 0.000 0.745 135 L CB -1.258 40.658 42.059 -0.239 0.000 0.900 135 L HN 0.147 nan 8.230 nan 0.000 0.435 136 A N -1.481 121.372 122.820 0.054 0.000 1.908 136 A HA -0.303 4.016 4.320 -0.001 0.000 0.218 136 A C 2.292 179.961 177.584 0.142 0.000 1.181 136 A CA 2.059 54.171 52.037 0.124 0.000 0.627 136 A CB -1.155 17.980 19.000 0.225 0.000 0.818 136 A HN 0.620 nan 8.150 nan 0.000 0.445 137 Y N 0.889 121.210 120.300 0.035 0.000 2.090 137 Y HA -0.178 4.372 4.550 -0.001 0.000 0.274 137 Y C 2.747 178.674 175.900 0.044 0.000 1.110 137 Y CA 2.603 60.727 58.100 0.041 0.000 1.092 137 Y CB -0.834 37.638 38.460 0.020 0.000 0.992 137 Y HN 0.280 nan 8.280 nan 0.000 0.479 138 T N 0.568 115.253 114.554 0.218 0.000 2.721 138 T HA -0.183 4.166 4.350 -0.001 0.000 0.268 138 T C 1.152 175.853 174.700 0.001 0.000 1.038 138 T CA 1.815 63.966 62.100 0.084 0.000 1.145 138 T CB -0.198 68.773 68.868 0.172 0.000 0.858 138 T HN 0.336 nan 8.240 nan 0.000 0.459 139 E N 0.311 120.527 120.200 0.026 0.000 2.451 139 E HA 0.102 4.451 4.350 -0.001 0.000 0.194 139 E C 0.418 177.019 176.600 0.001 0.000 1.027 139 E CA -0.062 56.355 56.400 0.028 0.000 0.914 139 E CB 0.146 29.869 29.700 0.037 0.000 1.054 139 E HN 0.340 nan 8.360 nan 0.000 0.461 140 E N -0.264 119.919 120.200 -0.027 0.000 2.604 140 E HA -0.202 4.147 4.350 -0.001 0.000 0.255 140 E C -0.157 176.454 176.600 0.017 0.000 1.164 140 E CA 0.516 56.906 56.400 -0.017 0.000 0.737 140 E CB -1.674 28.011 29.700 -0.025 0.000 1.317 140 E HN 0.113 nan 8.360 nan 0.000 0.417 141 V N 0.104 120.037 119.914 0.032 0.000 2.630 141 V HA 0.338 4.457 4.120 -0.001 0.000 0.305 141 V C 0.214 176.360 176.094 0.088 0.000 1.046 141 V CA -0.705 61.617 62.300 0.037 0.000 0.934 141 V CB 2.119 33.944 31.823 0.002 0.000 1.003 141 V HN -0.044 nan 8.190 nan 0.000 0.451 142 V N 7.736 127.708 119.914 0.097 0.000 2.389 142 V HA 0.295 4.415 4.120 -0.001 0.000 0.264 142 V C 0.083 176.275 176.094 0.164 0.000 1.049 142 V CA 0.013 62.403 62.300 0.150 0.000 0.932 142 V CB 0.948 32.852 31.823 0.135 0.000 1.011 142 V HN 0.697 nan 8.190 nan 0.000 0.475 143 L N 7.074 128.447 121.223 0.250 0.000 2.296 143 L HA 0.771 5.110 4.340 -0.001 0.000 0.286 143 L C -0.552 176.584 176.870 0.442 0.000 1.023 143 L CA -0.365 54.663 54.840 0.314 0.000 0.812 143 L CB 1.726 43.964 42.059 0.298 0.000 1.223 143 L HN 0.503 nan 8.230 nan 0.000 0.421 144 V N 4.615 124.764 119.914 0.391 0.000 2.487 144 V HA 0.692 4.811 4.120 -0.001 0.000 0.298 144 V C -0.489 175.886 176.094 0.467 0.000 1.028 144 V CA -0.001 62.508 62.300 0.349 0.000 0.860 144 V CB 2.090 34.019 31.823 0.178 0.000 0.991 144 V HN 0.872 nan 8.190 nan 0.000 0.427 145 S N 7.531 123.556 115.700 0.541 0.000 2.456 145 S HA 0.754 5.224 4.470 -0.001 0.000 0.316 145 S C -0.517 174.321 174.600 0.396 0.000 1.089 145 S CA -0.804 57.751 58.200 0.592 0.000 1.101 145 S CB 1.173 64.862 63.200 0.815 0.000 0.995 145 S HN 1.334 nan 8.310 nan 0.000 0.468 146 L N 1.303 122.686 121.223 0.266 0.000 2.488 146 L HA 0.950 5.289 4.340 -0.001 0.000 0.249 146 L C 0.191 177.201 176.870 0.233 0.000 1.151 146 L CA -0.567 54.401 54.840 0.214 0.000 0.806 146 L CB 0.215 42.292 42.059 0.031 0.000 1.261 146 L HN 0.830 nan 8.230 nan 0.000 0.484 147 S N -1.312 114.594 115.700 0.343 0.000 2.595 147 S HA 0.874 5.344 4.470 -0.001 0.000 0.281 147 S C -1.168 173.652 174.600 0.367 0.000 1.117 147 S CA -0.511 57.857 58.200 0.281 0.000 0.873 147 S CB 1.512 64.939 63.200 0.379 0.000 1.108 147 S HN 1.147 nan 8.310 nan 0.000 0.477 148 Y N -1.370 119.046 120.300 0.193 0.000 2.592 148 Y HA 0.663 5.212 4.550 -0.001 0.000 0.334 148 Y C -0.701 175.357 175.900 0.264 0.000 1.136 148 Y CA -1.400 56.823 58.100 0.206 0.000 1.042 148 Y CB 0.815 39.342 38.460 0.112 0.000 1.325 148 Y HN 0.758 nan 8.280 nan 0.000 0.457 149 R N 2.121 122.807 120.500 0.311 0.000 2.484 149 R HA 0.433 4.772 4.340 -0.001 0.000 0.293 149 R C -0.285 176.257 176.300 0.403 0.000 1.023 149 R CA -0.060 56.187 56.100 0.245 0.000 1.037 149 R CB 0.573 30.972 30.300 0.165 0.000 0.951 149 R HN 0.663 nan 8.270 nan 0.000 0.418 150 V N 0.462 120.611 119.914 0.392 0.000 2.994 150 V HA 0.894 5.013 4.120 -0.001 0.000 0.318 150 V C 0.715 177.149 176.094 0.567 0.000 1.085 150 V CA -0.148 62.482 62.300 0.550 0.000 0.998 150 V CB 1.357 33.344 31.823 0.273 0.000 1.063 150 V HN 0.987 nan 8.190 nan 0.000 0.447 151 G N 1.118 110.270 108.800 0.587 0.000 2.752 151 G HA2 0.111 4.070 3.960 -0.001 0.000 0.234 151 G HA3 0.111 4.070 3.960 -0.001 0.000 0.234 151 G C 0.931 175.988 174.900 0.263 0.000 1.367 151 G CA 0.532 45.882 45.100 0.416 0.000 0.879 151 G HN 2.238 nan 8.290 nan 0.000 0.563 152 A N -0.948 121.719 122.820 -0.256 0.000 1.929 152 A HA -0.086 4.233 4.320 -0.001 0.000 0.221 152 A C 2.250 179.793 177.584 -0.068 0.000 1.211 152 A CA 2.970 54.592 52.037 -0.691 0.000 0.657 152 A CB -0.738 17.572 19.000 -1.150 0.000 0.827 152 A HN 1.226 nan 8.150 nan 0.000 0.462 153 F N -0.484 119.566 119.950 0.167 0.000 2.192 153 F HA -0.128 4.398 4.527 -0.001 0.000 0.301 153 F C 2.397 178.254 175.800 0.095 0.000 1.079 153 F CA 1.098 59.131 58.000 0.055 0.000 1.303 153 F CB -0.348 38.643 39.000 -0.015 0.000 1.024 153 F HN 0.358 nan 8.300 nan 0.000 0.494 154 G N -2.664 106.301 108.800 0.275 0.000 2.944 154 G HA2 0.107 4.066 3.960 -0.001 0.000 0.223 154 G HA3 0.107 4.066 3.960 -0.001 0.000 0.223 154 G C 0.656 175.366 174.900 -0.316 0.000 1.071 154 G CA -0.029 45.064 45.100 -0.012 0.000 0.806 154 G HN 0.306 nan 8.290 nan 0.000 0.538 155 F N -0.011 120.068 119.950 0.214 0.000 2.772 155 F HA 0.463 4.989 4.527 -0.001 0.000 0.316 155 F C 0.425 176.306 175.800 0.134 0.000 1.114 155 F CA -0.820 57.279 58.000 0.165 0.000 1.191 155 F CB 0.716 39.828 39.000 0.188 0.000 1.065 155 F HN -0.106 nan 8.300 nan 0.000 0.534 156 L N 1.965 123.270 121.223 0.137 0.000 2.562 156 L HA 0.347 4.686 4.340 -0.001 0.000 0.271 156 L C 0.546 177.422 176.870 0.010 0.000 1.167 156 L CA 0.201 55.008 54.840 -0.055 0.000 0.917 156 L CB 0.395 42.085 42.059 -0.614 0.000 1.187 156 L HN 0.170 nan 8.230 nan 0.000 0.482 157 A N 7.152 130.025 122.820 0.087 0.000 3.056 157 A HA 0.406 4.726 4.320 -0.001 0.000 0.328 157 A C -0.199 177.421 177.584 0.061 0.000 1.233 157 A CA -0.490 51.593 52.037 0.076 0.000 0.965 157 A CB -0.392 18.661 19.000 0.089 0.000 1.123 157 A HN 0.679 nan 8.150 nan 0.000 0.502 158 L N 2.441 123.680 121.223 0.026 0.000 2.387 158 L HA 0.108 4.447 4.340 -0.001 0.000 0.267 158 L C 1.685 178.615 176.870 0.100 0.000 1.197 158 L CA -0.558 54.304 54.840 0.036 0.000 1.070 158 L CB -0.284 41.764 42.059 -0.019 0.000 1.349 158 L HN 0.851 nan 8.230 nan 0.000 0.422 159 H N 2.805 121.883 119.070 0.012 0.000 2.272 159 H HA -0.256 4.299 4.556 -0.001 0.000 0.289 159 H C 1.881 177.222 175.328 0.022 0.000 1.100 159 H CA 1.983 58.045 56.048 0.023 0.000 1.209 159 H CB -0.060 29.717 29.762 0.025 0.000 1.348 159 H HN 0.616 nan 8.280 nan 0.000 0.481 160 G N -0.210 108.562 108.800 -0.046 0.000 2.553 160 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.218 160 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.218 160 G C 1.238 176.085 174.900 -0.088 0.000 1.195 160 G CA 1.139 46.164 45.100 -0.125 0.000 0.779 160 G HN 0.636 nan 8.290 nan 0.000 0.577 161 S N -0.747 114.938 115.700 -0.025 0.000 2.580 161 S HA 0.422 4.892 4.470 -0.001 0.000 0.261 161 S C 1.426 176.031 174.600 0.008 0.000 1.366 161 S CA 1.132 59.330 58.200 -0.003 0.000 0.996 161 S CB 1.114 64.323 63.200 0.015 0.000 0.902 161 S HN 0.779 nan 8.310 nan 0.000 0.566 162 Q N 0.773 120.587 119.800 0.023 0.000 2.280 162 Q HA 0.266 4.606 4.340 -0.001 0.000 0.244 162 Q C 1.581 177.617 176.000 0.061 0.000 0.847 162 Q CA 0.253 56.079 55.803 0.038 0.000 0.945 162 Q CB -0.446 28.309 28.738 0.029 0.000 1.115 162 Q HN 0.813 nan 8.270 nan 0.000 0.513 163 E N 0.430 120.668 120.200 0.064 0.000 2.268 163 E HA 0.131 4.480 4.350 -0.001 0.000 0.195 163 E C 0.428 177.107 176.600 0.131 0.000 0.995 163 E CA 1.066 57.522 56.400 0.093 0.000 0.836 163 E CB 0.640 30.393 29.700 0.090 0.000 0.763 163 E HN 0.654 nan 8.360 nan 0.000 0.491 164 A N 1.494 124.371 122.820 0.094 0.000 3.399 164 A HA 0.276 4.596 4.320 -0.001 0.000 0.262 164 A C -2.692 174.925 177.584 0.055 0.000 1.145 164 A CA -0.968 51.121 52.037 0.087 0.000 0.916 164 A CB 0.548 19.520 19.000 -0.047 0.000 1.360 164 A HN -0.118 nan 8.150 nan 0.000 0.628 165 P HA 0.415 nan 4.420 nan 0.000 0.279 165 P C 0.765 178.128 177.300 0.104 0.000 1.252 165 P CA 0.245 63.413 63.100 0.114 0.000 0.811 165 P CB 1.332 33.104 31.700 0.119 0.000 1.035 166 G N 0.968 109.839 108.800 0.118 0.000 2.525 166 G HA2 0.002 3.962 3.960 -0.001 0.000 0.276 166 G HA3 0.002 3.962 3.960 -0.001 0.000 0.276 166 G C 0.317 175.244 174.900 0.045 0.000 1.388 166 G CA -0.474 44.684 45.100 0.097 0.000 1.050 166 G HN 0.644 nan 8.290 nan 0.000 0.520 167 N N -2.083 116.636 118.700 0.033 0.000 2.627 167 N HA -0.189 4.550 4.740 -0.001 0.000 0.248 167 N C 1.439 176.807 175.510 -0.236 0.000 1.173 167 N CA 0.922 53.884 53.050 -0.146 0.000 0.741 167 N CB -1.266 37.009 38.487 -0.354 0.000 1.128 167 N HN 0.195 nan 8.380 nan 0.000 0.562 168 V N 0.243 120.048 119.914 -0.183 0.000 2.332 168 V HA -0.206 3.913 4.120 -0.001 0.000 0.248 168 V C 2.416 178.399 176.094 -0.185 0.000 1.055 168 V CA 2.567 64.803 62.300 -0.107 0.000 1.038 168 V CB -0.730 31.079 31.823 -0.024 0.000 0.651 168 V HN 0.602 nan 8.190 nan 0.000 0.450 169 G N -1.280 107.205 108.800 -0.525 0.000 2.534 169 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.217 169 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.217 169 G C 1.407 176.193 174.900 -0.190 0.000 1.128 169 G CA 0.449 45.311 45.100 -0.397 0.000 0.784 169 G HN 0.419 nan 8.290 nan 0.000 0.542 170 L N 0.197 121.262 121.223 -0.264 0.000 2.179 170 L HA 0.316 4.656 4.340 -0.001 0.000 0.208 170 L C 2.658 179.624 176.870 0.160 0.000 1.096 170 L CA 0.892 55.663 54.840 -0.114 0.000 0.779 170 L CB -0.346 41.391 42.059 -0.537 0.000 0.922 170 L HN 0.162 nan 8.230 nan 0.000 0.443 171 L N -1.076 120.237 121.223 0.150 0.000 2.109 171 L HA -0.179 4.161 4.340 -0.001 0.000 0.207 171 L C 2.026 179.008 176.870 0.187 0.000 1.086 171 L CA 0.857 55.844 54.840 0.245 0.000 0.760 171 L CB -0.619 41.547 42.059 0.178 0.000 0.910 171 L HN 0.193 nan 8.230 nan 0.000 0.437 172 D N 0.017 120.522 120.400 0.175 0.000 2.158 172 D HA -0.223 4.417 4.640 -0.001 0.000 0.197 172 D C 2.298 178.709 176.300 0.184 0.000 0.995 172 D CA 1.186 55.361 54.000 0.292 0.000 0.846 172 D CB -0.138 40.870 40.800 0.346 0.000 0.941 172 D HN 0.397 nan 8.370 nan 0.000 0.456 173 Q N -0.232 119.631 119.800 0.105 0.000 2.119 173 Q HA -0.082 4.258 4.340 -0.001 0.000 0.201 173 Q C 2.235 178.157 176.000 -0.131 0.000 0.972 173 Q CA 0.752 56.532 55.803 -0.039 0.000 0.847 173 Q CB -0.003 28.748 28.738 0.022 0.000 0.903 173 Q HN 0.225 nan 8.270 nan 0.000 0.433 174 R N 0.545 121.063 120.500 0.030 0.000 2.075 174 R HA -0.118 4.221 4.340 -0.001 0.000 0.232 174 R C 2.177 178.435 176.300 -0.069 0.000 1.126 174 R CA 1.258 57.343 56.100 -0.024 0.000 0.963 174 R CB -0.078 30.280 30.300 0.097 0.000 0.858 174 R HN 0.196 nan 8.270 nan 0.000 0.435 175 M N 0.232 119.809 119.600 -0.039 0.000 2.159 175 M HA -0.064 4.415 4.480 -0.001 0.000 0.263 175 M C 2.027 178.148 176.300 -0.299 0.000 1.063 175 M CA 1.958 57.248 55.300 -0.017 0.000 1.110 175 M CB -0.029 32.693 32.600 0.203 0.000 1.374 175 M HN 0.260 nan 8.290 nan 0.000 0.411 176 A N -0.345 121.973 122.820 -0.837 0.000 1.933 176 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 176 A C 1.931 179.297 177.584 -0.364 0.000 1.175 176 A CA 1.360 52.684 52.037 -1.187 0.000 0.628 176 A CB -0.823 17.457 19.000 -1.200 0.000 0.814 176 A HN 0.482 nan 8.150 nan 0.000 0.444 177 L N -0.742 120.340 121.223 -0.235 0.000 2.109 177 L HA -0.099 4.241 4.340 -0.001 0.000 0.207 177 L C 2.545 179.439 176.870 0.040 0.000 1.086 177 L CA 2.090 56.885 54.840 -0.076 0.000 0.760 177 L CB -0.891 41.087 42.059 -0.136 0.000 0.910 177 L HN 0.532 nan 8.230 nan 0.000 0.437 178 Q N -1.397 118.414 119.800 0.018 0.000 2.020 178 Q HA -0.272 4.067 4.340 -0.001 0.000 0.202 178 Q C 2.206 178.303 176.000 0.162 0.000 0.982 178 Q CA 2.046 57.883 55.803 0.056 0.000 0.838 178 Q CB -0.694 28.065 28.738 0.034 0.000 0.899 178 Q HN 0.488 nan 8.270 nan 0.000 0.423 179 W N -0.577 120.721 121.300 -0.003 0.000 2.338 179 W HA -0.179 4.481 4.660 -0.001 0.000 0.304 179 W C 1.884 178.449 176.519 0.076 0.000 1.212 179 W CA 1.689 59.069 57.345 0.057 0.000 1.264 179 W CB -0.151 29.353 29.460 0.074 0.000 1.142 179 W HN 0.024 nan 8.180 nan 0.000 0.512 180 V N -0.012 120.151 119.914 0.415 0.000 2.392 180 V HA -0.367 3.753 4.120 -0.001 0.000 0.249 180 V C 2.474 178.644 176.094 0.126 0.000 1.059 180 V CA 2.289 64.763 62.300 0.291 0.000 1.051 180 V CB -1.192 30.751 31.823 0.200 0.000 0.658 180 V HN 0.357 nan 8.190 nan 0.000 0.455 181 H N 0.196 119.278 119.070 0.020 0.000 2.357 181 H HA -0.125 4.430 4.556 -0.001 0.000 0.301 181 H C 1.898 177.160 175.328 -0.110 0.000 1.082 181 H CA 1.901 57.927 56.048 -0.036 0.000 1.342 181 H CB 0.142 29.891 29.762 -0.022 0.000 1.389 181 H HN 0.429 nan 8.280 nan 0.000 0.511 182 D N -0.411 120.011 120.400 0.036 0.000 2.249 182 D HA -0.033 4.607 4.640 -0.001 0.000 0.205 182 D C 1.257 177.392 176.300 -0.274 0.000 0.962 182 D CA 0.628 54.572 54.000 -0.095 0.000 0.860 182 D CB 0.012 40.757 40.800 -0.092 0.000 0.955 182 D HN 0.518 nan 8.370 nan 0.000 0.505 183 N N -0.172 118.297 118.700 -0.385 0.000 2.166 183 N HA 0.034 4.773 4.740 -0.001 0.000 0.213 183 N C 1.333 176.771 175.510 -0.120 0.000 1.222 183 N CA -0.144 52.696 53.050 -0.349 0.000 0.900 183 N CB 1.138 39.124 38.487 -0.835 0.000 1.055 183 N HN -0.023 nan 8.380 nan 0.000 0.515 184 I N 3.246 123.782 120.570 -0.057 0.000 2.530 184 I HA -0.259 3.910 4.170 -0.001 0.000 0.257 184 I C 2.503 178.631 176.117 0.019 0.000 1.179 184 I CA 1.384 62.765 61.300 0.135 0.000 1.440 184 I CB -0.222 37.819 38.000 0.068 0.000 1.087 184 I HN 0.183 nan 8.210 nan 0.000 0.440 185 Q N -0.817 118.801 119.800 -0.303 0.000 2.124 185 Q HA -0.216 4.123 4.340 -0.001 0.000 0.202 185 Q C 2.078 177.866 176.000 -0.354 0.000 0.977 185 Q CA 1.816 57.384 55.803 -0.393 0.000 0.850 185 Q CB -0.994 27.376 28.738 -0.613 0.000 0.901 185 Q HN 0.497 nan 8.270 nan 0.000 0.429 186 F N -0.389 119.455 119.950 -0.176 0.000 2.546 186 F HA 0.030 4.556 4.527 -0.001 0.000 0.298 186 F C 0.975 176.476 175.800 -0.498 0.000 1.120 186 F CA 0.350 58.133 58.000 -0.362 0.000 1.456 186 F CB 0.080 38.764 39.000 -0.527 0.000 1.088 186 F HN -0.002 nan 8.300 nan 0.000 0.572 187 F N -0.597 119.350 119.950 -0.005 0.000 2.695 187 F HA 0.366 4.892 4.527 -0.001 0.000 0.303 187 F C 1.657 177.455 175.800 -0.003 0.000 1.091 187 F CA 0.413 58.385 58.000 -0.047 0.000 1.300 187 F CB 0.407 39.365 39.000 -0.069 0.000 1.071 187 F HN -0.031 nan 8.300 nan 0.000 0.578 188 G N 0.462 109.324 108.800 0.103 0.000 2.134 188 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.209 188 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.209 188 G C 0.392 175.324 174.900 0.053 0.000 0.993 188 G CA -0.350 44.789 45.100 0.064 0.000 0.669 188 G HN 0.679 nan 8.290 nan 0.000 0.519 189 G N -0.427 108.405 108.800 0.053 0.000 2.367 189 G HA2 0.507 4.467 3.960 -0.001 0.000 0.314 189 G HA3 0.507 4.467 3.960 -0.001 0.000 0.314 189 G C -0.784 174.088 174.900 -0.047 0.000 1.130 189 G CA 0.012 45.127 45.100 0.024 0.000 0.864 189 G HN 0.182 nan 8.290 nan 0.000 0.486 190 D N 2.624 122.994 120.400 -0.050 0.000 2.393 190 D HA 0.195 4.835 4.640 -0.001 0.000 0.232 190 D C -0.943 175.294 176.300 -0.105 0.000 1.192 190 D CA -2.282 51.666 54.000 -0.086 0.000 0.882 190 D CB 1.791 42.550 40.800 -0.068 0.000 1.038 190 D HN 0.096 nan 8.370 nan 0.000 0.499 191 P HA -0.129 nan 4.420 nan 0.000 0.223 191 P C 0.408 177.582 177.300 -0.209 0.000 1.144 191 P CA 0.681 63.640 63.100 -0.235 0.000 0.783 191 P CB 0.386 31.833 31.700 -0.422 0.000 0.771 192 K N -0.317 119.986 120.400 -0.161 0.000 2.500 192 K HA 0.208 4.527 4.320 -0.001 0.000 0.206 192 K C 0.264 176.821 176.600 -0.072 0.000 1.034 192 K CA 0.226 56.447 56.287 -0.109 0.000 1.179 192 K CB -0.079 32.358 32.500 -0.105 0.000 0.884 192 K HN 0.057 nan 8.250 nan 0.000 0.493 193 T N 0.265 114.783 114.554 -0.061 0.000 3.967 193 T HA 0.162 4.511 4.350 -0.001 0.000 0.262 193 T C -0.529 174.158 174.700 -0.022 0.000 0.966 193 T CA -0.324 61.745 62.100 -0.051 0.000 1.169 193 T CB 0.629 69.458 68.868 -0.066 0.000 1.038 193 T HN -0.257 nan 8.240 nan 0.000 0.541 194 V N 2.348 122.274 119.914 0.020 0.000 2.364 194 V HA 0.414 4.534 4.120 -0.001 0.000 0.272 194 V C 0.383 176.548 176.094 0.118 0.000 1.036 194 V CA -0.190 62.150 62.300 0.068 0.000 0.880 194 V CB 1.288 33.175 31.823 0.107 0.000 0.991 194 V HN 0.455 nan 8.190 nan 0.000 0.460 195 T N 6.916 121.514 114.554 0.073 0.000 2.749 195 T HA 0.542 4.892 4.350 -0.001 0.000 0.287 195 T C -0.027 174.736 174.700 0.105 0.000 0.970 195 T CA -0.143 62.016 62.100 0.098 0.000 0.980 195 T CB 0.610 69.493 68.868 0.025 0.000 0.924 195 T HN 0.603 nan 8.240 nan 0.000 0.456 196 I N 2.385 123.027 120.570 0.120 0.000 2.315 196 I HA 0.711 4.880 4.170 -0.001 0.000 0.291 196 I C -0.732 175.541 176.117 0.259 0.000 1.006 196 I CA -0.930 60.435 61.300 0.109 0.000 1.265 196 I CB 0.401 38.279 38.000 -0.204 0.000 1.387 196 I HN 0.346 nan 8.210 nan 0.000 0.475 197 F N 4.020 124.042 119.950 0.120 0.000 2.546 197 F HA 1.033 5.559 4.527 -0.001 0.000 0.320 197 F C -0.176 175.661 175.800 0.062 0.000 1.076 197 F CA -2.162 55.952 58.000 0.191 0.000 0.928 197 F CB 1.211 40.438 39.000 0.379 0.000 1.189 197 F HN 0.740 nan 8.300 nan 0.000 0.465 198 G N 1.152 109.877 108.800 -0.124 0.000 2.623 198 G HA2 0.485 4.445 3.960 -0.001 0.000 0.290 198 G HA3 0.485 4.445 3.960 -0.001 0.000 0.290 198 G C -2.388 172.286 174.900 -0.377 0.000 1.437 198 G CA -0.784 43.852 45.100 -0.773 0.000 0.798 198 G HN 0.852 nan 8.290 nan 0.000 0.488 199 E N -0.053 119.866 120.200 -0.469 0.000 2.312 199 E HA 0.633 4.982 4.350 -0.001 0.000 0.267 199 E C 0.669 177.189 176.600 -0.133 0.000 0.894 199 E CA 0.264 56.596 56.400 -0.113 0.000 0.773 199 E CB 2.360 32.102 29.700 0.070 0.000 1.241 199 E HN 0.887 nan 8.360 nan 0.000 0.432 200 S N 2.003 117.688 115.700 -0.025 0.000 4.139 200 S HA -0.397 4.072 4.470 -0.001 0.000 0.603 200 S C 1.441 176.183 174.600 0.237 0.000 1.897 200 S CA 2.194 60.471 58.200 0.128 0.000 4.241 200 S CB -1.617 61.557 63.200 -0.044 0.000 0.221 200 S HN 0.912 nan 8.310 nan 0.000 0.488 201 A N 1.090 123.919 122.820 0.016 0.000 2.015 201 A HA 0.241 4.560 4.320 -0.001 0.000 0.219 201 A C 2.474 179.840 177.584 -0.364 0.000 1.163 201 A CA 2.209 54.085 52.037 -0.269 0.000 0.646 201 A CB -1.515 16.823 19.000 -1.102 0.000 0.806 201 A HN 1.552 nan 8.150 nan 0.000 0.448 202 G N -0.431 108.193 108.800 -0.294 0.000 2.394 202 G HA2 0.076 4.035 3.960 -0.001 0.000 0.214 202 G HA3 0.076 4.035 3.960 -0.001 0.000 0.214 202 G C 1.476 176.219 174.900 -0.261 0.000 1.176 202 G CA 1.013 45.897 45.100 -0.361 0.000 0.786 202 G HN 0.672 nan 8.290 nan 0.000 0.533 203 G N 0.547 109.244 108.800 -0.172 0.000 2.509 203 G HA2 0.171 4.131 3.960 -0.001 0.000 0.218 203 G HA3 0.171 4.131 3.960 -0.001 0.000 0.218 203 G C 1.702 176.534 174.900 -0.114 0.000 1.124 203 G CA 1.361 46.405 45.100 -0.093 0.000 0.776 203 G HN 0.639 nan 8.290 nan 0.000 0.547 204 A N 0.161 122.933 122.820 -0.079 0.000 1.997 204 A HA 0.308 4.628 4.320 -0.001 0.000 0.212 204 A C 2.586 180.129 177.584 -0.070 0.000 1.178 204 A CA 1.533 53.503 52.037 -0.112 0.000 0.698 204 A CB -0.129 18.847 19.000 -0.041 0.000 0.842 204 A HN 0.231 nan 8.150 nan 0.000 0.458 205 S N -0.019 115.656 115.700 -0.042 0.000 2.345 205 S HA -0.118 4.351 4.470 -0.001 0.000 0.220 205 S C 1.926 176.472 174.600 -0.090 0.000 1.031 205 S CA 1.385 59.544 58.200 -0.069 0.000 0.996 205 S CB -0.486 62.622 63.200 -0.153 0.000 0.882 205 S HN 0.300 nan 8.310 nan 0.000 0.445 206 V N 1.903 121.787 119.914 -0.049 0.000 2.250 206 V HA -0.254 3.865 4.120 -0.001 0.000 0.250 206 V C 2.603 178.673 176.094 -0.041 0.000 1.060 206 V CA 2.167 64.451 62.300 -0.027 0.000 1.030 206 V CB -1.505 30.265 31.823 -0.087 0.000 0.643 206 V HN 0.619 nan 8.190 nan 0.000 0.445 207 G N -1.266 107.456 108.800 -0.130 0.000 2.448 207 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.219 207 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.219 207 G C 1.459 176.335 174.900 -0.039 0.000 1.127 207 G CA 0.721 45.701 45.100 -0.200 0.000 0.766 207 G HN 0.496 nan 8.290 nan 0.000 0.552 208 M N -0.302 119.289 119.600 -0.015 0.000 2.618 208 M HA 0.155 4.634 4.480 -0.001 0.000 0.240 208 M C 1.660 178.068 176.300 0.179 0.000 1.123 208 M CA 0.559 55.976 55.300 0.196 0.000 1.060 208 M CB 0.084 32.844 32.600 0.265 0.000 1.535 208 M HN 0.323 nan 8.290 nan 0.000 0.507 209 H N -0.672 118.531 119.070 0.222 0.000 2.557 209 H HA 0.201 4.756 4.556 -0.001 0.000 0.281 209 H C 1.953 177.520 175.328 0.399 0.000 0.990 209 H CA 0.526 56.697 56.048 0.206 0.000 1.278 209 H CB 0.641 30.381 29.762 -0.036 0.000 1.451 209 H HN 0.212 nan 8.280 nan 0.000 0.516 210 I N 0.327 121.210 120.570 0.522 0.000 2.493 210 I HA -0.197 3.973 4.170 -0.001 0.000 0.254 210 I C 1.074 177.487 176.117 0.492 0.000 1.160 210 I CA 0.817 62.480 61.300 0.605 0.000 1.445 210 I CB 0.175 38.479 38.000 0.507 0.000 1.086 210 I HN 0.221 nan 8.210 nan 0.000 0.433 211 L N -0.434 121.035 121.223 0.410 0.000 2.189 211 L HA 0.080 4.419 4.340 -0.001 0.000 0.199 211 L C 1.477 178.504 176.870 0.262 0.000 1.074 211 L CA 0.948 56.023 54.840 0.391 0.000 0.783 211 L CB -0.660 41.648 42.059 0.416 0.000 0.955 211 L HN -0.029 nan 8.230 nan 0.000 0.460 212 S N 0.609 116.407 115.700 0.164 0.000 2.546 212 S HA 0.010 4.479 4.470 -0.001 0.000 0.290 212 S C -1.531 173.017 174.600 -0.088 0.000 1.262 212 S CA -0.926 57.202 58.200 -0.119 0.000 1.083 212 S CB 0.536 63.352 63.200 -0.639 0.000 0.859 212 S HN -0.032 nan 8.310 nan 0.000 0.495 213 P HA -0.037 nan 4.420 nan 0.000 0.215 213 P C 1.578 178.811 177.300 -0.111 0.000 1.153 213 P CA 1.243 64.300 63.100 -0.072 0.000 0.853 213 P CB -0.182 31.476 31.700 -0.069 0.000 0.788 214 G N -1.071 107.611 108.800 -0.197 0.000 2.450 214 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.220 214 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.220 214 G C 1.559 176.380 174.900 -0.132 0.000 1.130 214 G CA 1.026 46.011 45.100 -0.193 0.000 0.760 214 G HN 0.243 nan 8.290 nan 0.000 0.557 215 S N -0.426 115.225 115.700 -0.082 0.000 2.483 215 S HA 0.097 4.566 4.470 -0.001 0.000 0.221 215 S C 2.181 176.890 174.600 0.181 0.000 1.030 215 S CA -0.227 58.037 58.200 0.107 0.000 0.925 215 S CB 0.070 63.453 63.200 0.305 0.000 0.795 215 S HN 0.359 nan 8.310 nan 0.000 0.511 216 R N 1.600 122.147 120.500 0.079 0.000 2.204 216 R HA -0.166 4.174 4.340 -0.001 0.000 0.253 216 R C 0.682 176.760 176.300 -0.370 0.000 1.172 216 R CA 1.639 57.663 56.100 -0.126 0.000 0.994 216 R CB -0.411 29.858 30.300 -0.051 0.000 0.874 216 R HN 0.347 nan 8.270 nan 0.000 0.462 217 D N -0.191 120.083 120.400 -0.210 0.000 2.354 217 D HA 0.027 4.667 4.640 -0.001 0.000 0.209 217 D C 1.311 177.522 176.300 -0.148 0.000 1.015 217 D CA 0.519 54.401 54.000 -0.197 0.000 0.867 217 D CB 0.181 40.895 40.800 -0.143 0.000 0.933 217 D HN 0.192 nan 8.370 nan 0.000 0.520 218 L N 0.129 121.310 121.223 -0.071 0.000 2.627 218 L HA 0.165 4.504 4.340 -0.001 0.000 0.233 218 L C -0.217 176.830 176.870 0.296 0.000 1.144 218 L CA -0.009 54.890 54.840 0.100 0.000 0.892 218 L CB -0.437 41.671 42.059 0.081 0.000 1.039 218 L HN -0.049 nan 8.230 nan 0.000 0.442 219 F N -4.525 115.459 119.950 0.057 0.000 2.713 219 F HA 0.534 5.061 4.527 -0.001 0.000 0.311 219 F C 0.317 176.147 175.800 0.050 0.000 1.141 219 F CA -1.371 56.659 58.000 0.050 0.000 0.939 219 F CB 1.170 40.190 39.000 0.033 0.000 1.325 219 F HN -0.404 nan 8.300 nan 0.000 0.453 220 R N 0.576 121.151 120.500 0.124 0.000 2.103 220 R HA 0.496 4.836 4.340 -0.001 0.000 0.212 220 R C -0.066 176.299 176.300 0.108 0.000 1.107 220 R CA 0.943 57.055 56.100 0.020 0.000 1.025 220 R CB 0.323 30.623 30.300 0.000 0.000 0.929 220 R HN 0.826 nan 8.270 nan 0.000 0.456 221 R N -1.460 119.187 120.500 0.246 0.000 2.987 221 R HA 0.785 5.125 4.340 -0.001 0.000 0.248 221 R C -1.479 175.066 176.300 0.409 0.000 1.264 221 R CA -0.739 55.526 56.100 0.275 0.000 1.026 221 R CB 1.866 32.196 30.300 0.050 0.000 1.286 221 R HN 0.142 nan 8.270 nan 0.000 0.483 222 A N 0.857 123.906 122.820 0.382 0.000 2.488 222 A HA 0.639 4.958 4.320 -0.001 0.000 0.298 222 A C -1.222 176.467 177.584 0.175 0.000 1.044 222 A CA -0.594 51.592 52.037 0.247 0.000 0.693 222 A CB 1.118 20.235 19.000 0.194 0.000 1.272 222 A HN 0.565 nan 8.150 nan 0.000 0.402 223 I N 2.463 123.103 120.570 0.118 0.000 2.382 223 I HA 0.354 4.523 4.170 -0.001 0.000 0.286 223 I C -1.392 174.794 176.117 0.114 0.000 1.002 223 I CA -0.615 60.675 61.300 -0.017 0.000 1.135 223 I CB 1.689 39.643 38.000 -0.076 0.000 1.288 223 I HN 0.451 nan 8.210 nan 0.000 0.448 224 L N 7.042 128.313 121.223 0.079 0.000 2.316 224 L HA 0.436 4.776 4.340 -0.001 0.000 0.280 224 L C -0.360 176.624 176.870 0.189 0.000 1.006 224 L CA -0.270 54.623 54.840 0.088 0.000 0.836 224 L CB 1.310 43.362 42.059 -0.011 0.000 1.221 224 L HN 0.493 nan 8.230 nan 0.000 0.418 225 Q N 1.559 121.508 119.800 0.249 0.000 2.290 225 Q HA 0.461 4.800 4.340 -0.001 0.000 0.259 225 Q C 0.295 176.400 176.000 0.174 0.000 0.941 225 Q CA -0.541 55.467 55.803 0.341 0.000 0.912 225 Q CB 1.451 30.466 28.738 0.462 0.000 1.244 225 Q HN 0.641 nan 8.270 nan 0.000 0.441 226 S N 0.958 116.744 115.700 0.142 0.000 3.486 226 S HA -0.202 4.267 4.470 -0.001 0.000 0.371 226 S C 0.073 174.787 174.600 0.190 0.000 1.001 226 S CA 0.593 58.878 58.200 0.140 0.000 1.164 226 S CB -1.175 62.083 63.200 0.097 0.000 0.911 226 S HN 0.926 nan 8.310 nan 0.000 0.472 227 G N -0.516 108.354 108.800 0.116 0.000 2.623 227 G HA2 0.756 4.716 3.960 -0.001 0.000 0.290 227 G HA3 0.756 4.716 3.960 -0.001 0.000 0.290 227 G C -1.010 173.832 174.900 -0.097 0.000 1.437 227 G CA 0.074 45.233 45.100 0.099 0.000 0.798 227 G HN 1.299 nan 8.290 nan 0.000 0.488 228 S N -0.185 115.367 115.700 -0.246 0.000 2.606 228 S HA 0.538 5.007 4.470 -0.001 0.000 0.290 228 S C -2.409 171.871 174.600 -0.532 0.000 1.103 228 S CA -0.522 57.370 58.200 -0.513 0.000 0.870 228 S CB 2.451 65.400 63.200 -0.419 0.000 1.077 228 S HN 0.506 nan 8.310 nan 0.000 0.448 229 P HA -0.152 nan 4.420 nan 0.000 0.219 229 P C 0.687 177.720 177.300 -0.445 0.000 1.146 229 P CA 1.406 64.240 63.100 -0.444 0.000 0.808 229 P CB -0.344 31.152 31.700 -0.341 0.000 0.779 230 N N -0.483 117.991 118.700 -0.376 0.000 2.416 230 N HA -0.020 4.719 4.740 -0.001 0.000 0.215 230 N C -0.302 174.971 175.510 -0.396 0.000 1.208 230 N CA -0.168 52.712 53.050 -0.284 0.000 0.834 230 N CB -1.282 37.169 38.487 -0.060 0.000 1.072 230 N HN 0.045 nan 8.380 nan 0.000 0.472 231 C N 1.336 120.269 119.300 -0.611 0.000 2.463 231 C HA 0.260 4.720 4.460 -0.001 0.000 0.380 231 C C -0.615 173.885 174.990 -0.818 0.000 1.264 231 C CA -1.085 57.434 59.018 -0.831 0.000 2.161 231 C CB 1.433 28.377 27.740 -1.327 0.000 2.515 231 C HN 0.259 nan 8.230 nan 0.000 0.565 232 P HA -0.156 nan 4.420 nan 0.000 0.217 232 P C 1.450 178.568 177.300 -0.303 0.000 1.158 232 P CA 1.895 64.751 63.100 -0.407 0.000 0.887 232 P CB -0.117 31.388 31.700 -0.324 0.000 0.792 233 W N -1.425 119.734 121.300 -0.235 0.000 2.770 233 W HA 0.378 5.038 4.660 -0.001 0.000 0.256 233 W C 1.440 177.962 176.519 0.005 0.000 1.291 233 W CA 0.622 57.907 57.345 -0.100 0.000 1.396 233 W CB -1.417 28.022 29.460 -0.035 0.000 1.114 233 W HN -0.114 nan 8.180 nan 0.000 0.637 234 A N 1.265 123.696 122.820 -0.647 0.000 2.167 234 A HA 0.124 4.443 4.320 -0.001 0.000 0.214 234 A C 1.013 178.269 177.584 -0.548 0.000 1.151 234 A CA 1.098 52.789 52.037 -0.577 0.000 0.735 234 A CB -0.618 17.831 19.000 -0.917 0.000 0.802 234 A HN 0.238 nan 8.150 nan 0.000 0.467 235 S N -1.527 113.904 115.700 -0.448 0.000 2.570 235 S HA 0.657 5.126 4.470 -0.001 0.000 0.270 235 S C -0.859 173.560 174.600 -0.302 0.000 1.149 235 S CA -0.077 57.867 58.200 -0.426 0.000 0.837 235 S CB 1.495 64.391 63.200 -0.506 0.000 1.124 235 S HN 1.326 nan 8.310 nan 0.000 0.465 236 V N -0.900 118.858 119.914 -0.259 0.000 3.049 236 V HA 0.908 5.028 4.120 -0.001 0.000 0.309 236 V C 0.095 176.087 176.094 -0.169 0.000 1.148 236 V CA -0.466 61.720 62.300 -0.190 0.000 0.990 236 V CB 1.214 32.945 31.823 -0.154 0.000 1.039 236 V HN 1.476 nan 8.190 nan 0.000 0.430 237 S N 1.822 117.436 115.700 -0.142 0.000 2.584 237 S HA 0.260 4.729 4.470 -0.001 0.000 0.270 237 S C 1.413 175.945 174.600 -0.113 0.000 1.346 237 S CA 0.008 58.133 58.200 -0.124 0.000 1.018 237 S CB 1.219 64.360 63.200 -0.098 0.000 0.899 237 S HN 2.119 nan 8.310 nan 0.000 0.542 238 V N -0.282 119.550 119.914 -0.137 0.000 2.392 238 V HA -0.116 4.003 4.120 -0.001 0.000 0.249 238 V C 2.626 178.688 176.094 -0.053 0.000 1.059 238 V CA 1.877 64.085 62.300 -0.153 0.000 1.051 238 V CB -2.203 29.418 31.823 -0.336 0.000 0.658 238 V HN 1.021 nan 8.190 nan 0.000 0.455 239 A N 0.710 123.506 122.820 -0.041 0.000 1.855 239 A HA -0.204 4.115 4.320 -0.001 0.000 0.215 239 A C 2.235 179.802 177.584 -0.028 0.000 1.191 239 A CA 1.963 53.991 52.037 -0.016 0.000 0.613 239 A CB -0.719 18.271 19.000 -0.017 0.000 0.829 239 A HN 0.619 nan 8.150 nan 0.000 0.442 240 E N 0.232 120.402 120.200 -0.051 0.000 2.085 240 E HA -0.097 4.252 4.350 -0.001 0.000 0.194 240 E C 1.940 178.502 176.600 -0.064 0.000 0.994 240 E CA 1.809 58.170 56.400 -0.064 0.000 0.801 240 E CB -0.894 28.754 29.700 -0.086 0.000 0.743 240 E HN 0.402 nan 8.360 nan 0.000 0.453 241 G N 0.400 109.169 108.800 -0.053 0.000 2.432 241 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.219 241 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.219 241 G C 1.736 176.646 174.900 0.016 0.000 1.135 241 G CA 0.858 45.947 45.100 -0.019 0.000 0.767 241 G HN 0.353 nan 8.290 nan 0.000 0.550 242 R N 0.269 120.776 120.500 0.012 0.000 2.066 242 R HA 0.015 4.354 4.340 -0.001 0.000 0.232 242 R C 2.529 178.836 176.300 0.012 0.000 1.131 242 R CA 1.314 57.429 56.100 0.024 0.000 0.955 242 R CB -0.450 29.869 30.300 0.032 0.000 0.851 242 R HN 0.248 nan 8.270 nan 0.000 0.432 243 R N 0.880 121.377 120.500 -0.006 0.000 2.097 243 R HA -0.182 4.157 4.340 -0.001 0.000 0.236 243 R C 2.163 178.452 176.300 -0.017 0.000 1.135 243 R CA 2.282 58.373 56.100 -0.015 0.000 0.934 243 R CB -0.321 29.961 30.300 -0.031 0.000 0.846 243 R HN 0.337 nan 8.270 nan 0.000 0.431 244 R N -0.208 120.262 120.500 -0.050 0.000 2.127 244 R HA -0.097 4.242 4.340 -0.001 0.000 0.238 244 R C 2.311 178.664 176.300 0.089 0.000 1.134 244 R CA 1.238 57.282 56.100 -0.092 0.000 0.975 244 R CB -0.325 29.780 30.300 -0.326 0.000 0.865 244 R HN 0.327 nan 8.270 nan 0.000 0.447 245 A N 1.115 124.011 122.820 0.126 0.000 1.898 245 A HA -0.113 4.206 4.320 -0.001 0.000 0.216 245 A C 2.377 179.993 177.584 0.053 0.000 1.181 245 A CA 1.584 53.701 52.037 0.134 0.000 0.620 245 A CB -0.562 18.459 19.000 0.034 0.000 0.819 245 A HN 0.250 nan 8.150 nan 0.000 0.442 246 V N -2.237 117.696 119.914 0.030 0.000 2.548 246 V HA -0.097 4.023 4.120 -0.001 0.000 0.249 246 V C 2.075 178.185 176.094 0.028 0.000 1.055 246 V CA 2.488 64.799 62.300 0.018 0.000 1.065 246 V CB -0.694 31.136 31.823 0.011 0.000 0.681 246 V HN 0.418 nan 8.190 nan 0.000 0.462 247 E N 0.768 120.987 120.200 0.033 0.000 2.072 247 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 247 E C 1.885 178.520 176.600 0.059 0.000 0.985 247 E CA 1.680 58.099 56.400 0.031 0.000 0.801 247 E CB -0.534 29.171 29.700 0.008 0.000 0.750 247 E HN 0.624 nan 8.360 nan 0.000 0.452 248 L N -0.106 121.185 121.223 0.112 0.000 2.012 248 L HA -0.029 4.310 4.340 -0.001 0.000 0.210 248 L C 2.148 179.059 176.870 0.068 0.000 1.073 248 L CA 2.465 57.392 54.840 0.146 0.000 0.748 248 L CB -1.069 41.151 42.059 0.268 0.000 0.891 248 L HN 0.218 nan 8.230 nan 0.000 0.431 249 G N -0.873 107.951 108.800 0.041 0.000 2.469 249 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.219 249 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.219 249 G C 1.831 176.746 174.900 0.024 0.000 1.150 249 G CA 0.914 46.024 45.100 0.017 0.000 0.763 249 G HN 0.400 nan 8.290 nan 0.000 0.561 250 R N 0.137 120.654 120.500 0.029 0.000 2.073 250 R HA -0.046 4.293 4.340 -0.001 0.000 0.234 250 R C 2.489 178.808 176.300 0.032 0.000 1.134 250 R CA 1.262 57.378 56.100 0.027 0.000 0.952 250 R CB -0.335 29.980 30.300 0.025 0.000 0.850 250 R HN 0.333 nan 8.270 nan 0.000 0.433 251 N N 0.496 119.221 118.700 0.042 0.000 2.149 251 N HA -0.170 4.570 4.740 -0.001 0.000 0.188 251 N C 1.374 176.912 175.510 0.047 0.000 1.019 251 N CA 1.090 54.169 53.050 0.049 0.000 0.857 251 N CB -0.005 38.520 38.487 0.064 0.000 0.997 251 N HN 0.251 nan 8.380 nan 0.000 0.426 252 L N 0.856 122.106 121.223 0.044 0.000 2.629 252 L HA 0.074 4.414 4.340 -0.001 0.000 0.230 252 L C -0.096 176.791 176.870 0.028 0.000 1.151 252 L CA -0.208 54.655 54.840 0.039 0.000 0.924 252 L CB -0.634 41.447 42.059 0.037 0.000 1.137 252 L HN 0.166 nan 8.230 nan 0.000 0.457 253 N N 0.031 118.747 118.700 0.027 0.000 2.608 253 N HA -0.190 4.549 4.740 -0.001 0.000 0.273 253 N C -0.747 174.772 175.510 0.016 0.000 1.133 253 N CA 0.212 53.275 53.050 0.022 0.000 0.726 253 N CB -0.822 37.679 38.487 0.023 0.000 0.890 253 N HN 0.223 nan 8.380 nan 0.000 0.548 254 c N 1.541 120.149 118.600 0.014 0.000 2.486 254 c HA 0.513 5.083 4.570 -0.001 0.000 0.348 254 c C 0.705 174.805 174.090 0.016 0.000 1.203 254 c CA -1.000 55.334 56.329 0.008 0.000 1.911 254 c CB 1.378 43.889 42.510 0.001 0.000 2.340 254 c HN 0.740 nan 8.230 nan 0.000 0.511 255 N N 1.782 120.495 118.700 0.022 0.000 2.421 255 N HA 0.153 4.893 4.740 -0.001 0.000 0.260 255 N C 0.138 175.666 175.510 0.029 0.000 1.173 255 N CA -0.014 53.055 53.050 0.031 0.000 0.960 255 N CB -0.019 38.496 38.487 0.048 0.000 1.273 255 N HN 0.614 nan 8.380 nan 0.000 0.497 256 L N 1.878 123.115 121.223 0.023 0.000 2.672 256 L HA 0.100 4.439 4.340 -0.001 0.000 0.236 256 L C 2.079 178.961 176.870 0.021 0.000 1.186 256 L CA 0.168 55.020 54.840 0.019 0.000 0.977 256 L CB -1.362 40.706 42.059 0.015 0.000 1.203 256 L HN 0.624 nan 8.230 nan 0.000 0.448 257 N N 0.439 119.154 118.700 0.025 0.000 2.453 257 N HA -0.050 4.690 4.740 -0.001 0.000 0.183 257 N C 0.768 176.292 175.510 0.023 0.000 1.041 257 N CA 1.069 54.133 53.050 0.023 0.000 0.900 257 N CB 0.051 38.553 38.487 0.026 0.000 0.961 257 N HN 0.523 nan 8.380 nan 0.000 0.443 258 S N -2.981 112.735 115.700 0.025 0.000 2.586 258 S HA 0.315 4.784 4.470 -0.001 0.000 0.277 258 S C -0.830 173.785 174.600 0.025 0.000 1.131 258 S CA -0.382 57.832 58.200 0.023 0.000 0.848 258 S CB 0.885 64.100 63.200 0.026 0.000 1.091 258 S HN 0.039 nan 8.310 nan 0.000 0.453 259 D N 1.650 122.061 120.400 0.018 0.000 2.133 259 D HA -0.072 4.567 4.640 -0.001 0.000 0.195 259 D C 2.263 178.580 176.300 0.030 0.000 0.997 259 D CA 2.335 56.343 54.000 0.014 0.000 0.840 259 D CB -0.678 40.128 40.800 0.010 0.000 0.947 259 D HN 0.892 nan 8.370 nan 0.000 0.452 260 E N 1.176 121.401 120.200 0.041 0.000 2.072 260 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 260 E C 2.093 178.756 176.600 0.104 0.000 0.985 260 E CA 1.451 57.889 56.400 0.064 0.000 0.801 260 E CB -0.980 28.748 29.700 0.047 0.000 0.750 260 E HN 0.290 nan 8.360 nan 0.000 0.452 261 E N -0.171 120.084 120.200 0.091 0.000 2.072 261 E HA 0.006 4.355 4.350 -0.001 0.000 0.191 261 E C 2.196 178.861 176.600 0.109 0.000 0.985 261 E CA 0.676 57.155 56.400 0.132 0.000 0.801 261 E CB -0.445 29.312 29.700 0.094 0.000 0.750 261 E HN 0.607 nan 8.360 nan 0.000 0.452 262 L N -0.017 121.241 121.223 0.058 0.000 1.976 262 L HA -0.155 4.184 4.340 -0.001 0.000 0.209 262 L C 2.501 179.385 176.870 0.023 0.000 1.071 262 L CA 1.837 56.690 54.840 0.022 0.000 0.746 262 L CB -0.357 41.701 42.059 -0.002 0.000 0.890 262 L HN 0.274 nan 8.230 nan 0.000 0.432 263 I N -0.687 119.906 120.570 0.038 0.000 2.194 263 I HA -0.412 3.757 4.170 -0.001 0.000 0.246 263 I C 2.586 178.805 176.117 0.170 0.000 1.093 263 I CA 1.738 63.085 61.300 0.080 0.000 1.355 263 I CB -0.697 37.357 38.000 0.090 0.000 1.046 263 I HN 0.499 nan 8.210 nan 0.000 0.413 264 H N 0.336 119.455 119.070 0.082 0.000 2.319 264 H HA -0.278 4.277 4.556 -0.001 0.000 0.299 264 H C 2.544 177.924 175.328 0.087 0.000 1.092 264 H CA 2.201 58.297 56.048 0.081 0.000 1.302 264 H CB -0.136 29.660 29.762 0.056 0.000 1.373 264 H HN 0.517 nan 8.280 nan 0.000 0.497 265 c N 1.169 119.617 118.600 -0.254 0.000 2.413 265 c HA -0.134 4.435 4.570 -0.001 0.000 0.277 265 c C 3.035 177.065 174.090 -0.101 0.000 1.228 265 c CA 1.085 57.248 56.329 -0.276 0.000 1.731 265 c CB -1.418 41.025 42.510 -0.111 0.000 2.042 265 c HN 0.623 nan 8.230 nan 0.000 0.468 266 L N 0.249 121.487 121.223 0.025 0.000 2.079 266 L HA -0.133 4.207 4.340 -0.001 0.000 0.210 266 L C 2.952 179.948 176.870 0.210 0.000 1.081 266 L CA 1.608 56.536 54.840 0.148 0.000 0.752 266 L CB -0.758 41.421 42.059 0.201 0.000 0.896 266 L HN 0.382 nan 8.230 nan 0.000 0.433 267 R N -0.125 120.492 120.500 0.196 0.000 2.237 267 R HA -0.112 4.227 4.340 -0.001 0.000 0.219 267 R C 1.833 178.163 176.300 0.050 0.000 1.080 267 R CA 0.756 56.926 56.100 0.117 0.000 0.995 267 R CB -0.032 30.356 30.300 0.146 0.000 0.875 267 R HN 0.507 nan 8.270 nan 0.000 0.462 268 E N 0.160 120.362 120.200 0.003 0.000 2.276 268 E HA 0.002 4.351 4.350 -0.001 0.000 0.193 268 E C -0.042 176.568 176.600 0.016 0.000 0.983 268 E CA 0.251 56.645 56.400 -0.010 0.000 0.861 268 E CB 0.383 30.030 29.700 -0.088 0.000 0.817 268 E HN 0.014 nan 8.360 nan 0.000 0.485 269 K N 1.954 122.374 120.400 0.032 0.000 2.401 269 K HA 0.081 4.400 4.320 -0.001 0.000 0.278 269 K C 0.060 176.710 176.600 0.082 0.000 1.018 269 K CA 0.053 56.374 56.287 0.056 0.000 0.981 269 K CB 0.748 33.290 32.500 0.070 0.000 0.933 269 K HN -0.210 nan 8.250 nan 0.000 0.477 270 K N 2.795 123.242 120.400 0.078 0.000 2.336 270 K HA 0.028 4.348 4.320 -0.001 0.000 0.262 270 K C -1.509 175.180 176.600 0.148 0.000 0.992 270 K CA -1.003 55.333 56.287 0.081 0.000 0.927 270 K CB -0.081 32.456 32.500 0.061 0.000 0.956 270 K HN 0.434 nan 8.250 nan 0.000 0.495 271 P HA -0.246 nan 4.420 nan 0.000 0.216 271 P C 1.446 178.975 177.300 0.381 0.000 1.157 271 P CA 1.259 64.511 63.100 0.253 0.000 0.880 271 P CB 0.150 31.796 31.700 -0.090 0.000 0.791 272 Q N -0.027 119.896 119.800 0.204 0.000 2.170 272 Q HA -0.192 4.147 4.340 -0.001 0.000 0.203 272 Q C 1.995 178.105 176.000 0.184 0.000 0.976 272 Q CA 1.663 57.582 55.803 0.194 0.000 0.858 272 Q CB -0.893 27.922 28.738 0.127 0.000 0.907 272 Q HN 0.225 nan 8.270 nan 0.000 0.433 273 E N -0.677 119.615 120.200 0.152 0.000 2.118 273 E HA -0.163 4.186 4.350 -0.001 0.000 0.195 273 E C 1.744 178.414 176.600 0.117 0.000 0.992 273 E CA 1.301 57.773 56.400 0.119 0.000 0.804 273 E CB -0.099 29.657 29.700 0.093 0.000 0.741 273 E HN 0.360 nan 8.360 nan 0.000 0.458 274 L N 0.024 121.319 121.223 0.122 0.000 2.044 274 L HA -0.097 4.242 4.340 -0.001 0.000 0.205 274 L C 2.280 179.187 176.870 0.062 0.000 1.075 274 L CA 0.781 55.630 54.840 0.014 0.000 0.747 274 L CB -0.327 41.601 42.059 -0.217 0.000 0.903 274 L HN 0.192 nan 8.230 nan 0.000 0.435 275 I N -0.208 120.475 120.570 0.189 0.000 2.361 275 I HA -0.269 3.901 4.170 -0.001 0.000 0.251 275 I C 1.986 178.285 176.117 0.303 0.000 1.133 275 I CA 0.979 62.446 61.300 0.278 0.000 1.413 275 I CB -0.473 37.760 38.000 0.388 0.000 1.073 275 I HN 0.276 nan 8.210 nan 0.000 0.424 276 D N 0.833 121.382 120.400 0.248 0.000 2.097 276 D HA -0.129 4.510 4.640 -0.001 0.000 0.195 276 D C 2.119 178.553 176.300 0.223 0.000 0.989 276 D CA 1.723 55.867 54.000 0.239 0.000 0.827 276 D CB -0.122 40.781 40.800 0.173 0.000 0.966 276 D HN 0.363 nan 8.370 nan 0.000 0.456 277 V N -0.516 119.502 119.914 0.172 0.000 3.647 277 V HA 0.104 4.223 4.120 -0.001 0.000 0.279 277 V C 1.750 177.938 176.094 0.157 0.000 1.314 277 V CA 0.707 63.099 62.300 0.154 0.000 1.125 277 V CB -0.420 31.471 31.823 0.114 0.000 0.907 277 V HN 0.103 nan 8.190 nan 0.000 0.434 278 E N 0.035 120.322 120.200 0.145 0.000 2.331 278 E HA -0.228 4.121 4.350 -0.001 0.000 0.199 278 E C 1.489 178.043 176.600 -0.076 0.000 1.008 278 E CA 1.817 58.286 56.400 0.115 0.000 0.843 278 E CB -0.454 29.284 29.700 0.062 0.000 0.761 278 E HN 0.751 nan 8.360 nan 0.000 0.507 279 W N 0.486 121.782 121.300 -0.005 0.000 3.197 279 W HA 0.232 4.891 4.660 -0.001 0.000 0.274 279 W C 1.076 177.557 176.519 -0.064 0.000 1.297 279 W CA -0.310 56.982 57.345 -0.089 0.000 1.662 279 W CB 0.219 29.573 29.460 -0.177 0.000 1.106 279 W HN 0.031 nan 8.180 nan 0.000 0.663 280 N N 0.154 118.951 118.700 0.163 0.000 2.521 280 N HA -0.083 4.656 4.740 -0.001 0.000 0.188 280 N C 1.620 177.154 175.510 0.040 0.000 1.146 280 N CA 1.117 54.225 53.050 0.096 0.000 0.893 280 N CB -0.236 38.305 38.487 0.090 0.000 0.975 280 N HN 0.205 nan 8.380 nan 0.000 0.451 281 V N -3.070 116.837 119.914 -0.011 0.000 3.660 281 V HA 0.286 4.406 4.120 -0.001 0.000 0.276 281 V C 0.561 176.581 176.094 -0.122 0.000 1.317 281 V CA -0.291 61.959 62.300 -0.082 0.000 1.097 281 V CB -0.448 31.282 31.823 -0.155 0.000 0.863 281 V HN -0.149 nan 8.190 nan 0.000 0.438 282 L N 2.940 124.111 121.223 -0.088 0.000 2.514 282 L HA 0.247 4.586 4.340 -0.001 0.000 0.280 282 L C -0.423 176.417 176.870 -0.050 0.000 1.223 282 L CA -0.492 54.302 54.840 -0.076 0.000 0.864 282 L CB 0.017 42.071 42.059 -0.009 0.000 1.118 282 L HN 0.165 nan 8.230 nan 0.000 0.494 283 P HA 0.027 nan 4.420 nan 0.000 0.236 283 P C -0.184 177.105 177.300 -0.018 0.000 1.177 283 P CA 0.956 64.034 63.100 -0.036 0.000 0.773 283 P CB 0.042 31.717 31.700 -0.042 0.000 0.878 284 F N -0.383 119.559 119.950 -0.013 0.000 2.628 284 F HA 0.438 4.964 4.527 -0.001 0.000 0.309 284 F C -0.886 174.911 175.800 -0.004 0.000 1.108 284 F CA -1.697 56.299 58.000 -0.006 0.000 0.971 284 F CB 0.701 39.701 39.000 -0.001 0.000 1.279 284 F HN -0.292 nan 8.300 nan 0.000 0.441 285 D N 2.546 122.942 120.400 -0.006 0.000 2.451 285 D HA 0.423 5.062 4.640 -0.001 0.000 0.254 285 D C 0.429 176.722 176.300 -0.013 0.000 1.204 285 D CA 1.735 55.730 54.000 -0.008 0.000 0.896 285 D CB 0.906 41.700 40.800 -0.011 0.000 1.136 285 D HN 1.200 nan 8.370 nan 0.000 0.499 286 S N 2.818 118.512 115.700 -0.011 0.000 2.752 286 S HA 0.656 5.125 4.470 -0.001 0.000 0.284 286 S C -0.709 173.882 174.600 -0.015 0.000 1.189 286 S CA -1.014 57.178 58.200 -0.014 0.000 0.835 286 S CB 0.873 64.068 63.200 -0.009 0.000 1.192 286 S HN 0.377 nan 8.310 nan 0.000 0.506 287 I N 0.862 121.427 120.570 -0.008 0.000 2.619 287 I HA 0.547 4.717 4.170 -0.001 0.000 0.292 287 I C -1.177 174.953 176.117 0.022 0.000 1.100 287 I CA -0.561 60.746 61.300 0.011 0.000 1.043 287 I CB 1.738 39.759 38.000 0.034 0.000 1.239 287 I HN 0.845 nan 8.210 nan 0.000 0.420 288 F N 4.580 124.370 119.950 -0.267 0.000 3.030 288 F HA -0.219 4.308 4.527 -0.001 0.000 0.309 288 F C -0.291 175.066 175.800 -0.738 0.000 0.941 288 F CA 0.462 58.063 58.000 -0.665 0.000 1.082 288 F CB -0.787 37.770 39.000 -0.739 0.000 1.113 288 F HN 0.524 nan 8.300 nan 0.000 0.716 289 R N 0.715 120.832 120.500 -0.637 0.000 2.604 289 R HA 0.728 5.067 4.340 -0.001 0.000 0.281 289 R C -1.469 174.428 176.300 -0.671 0.000 1.020 289 R CA -0.407 55.399 56.100 -0.490 0.000 0.899 289 R CB 1.171 31.388 30.300 -0.140 0.000 1.205 289 R HN -0.022 nan 8.270 nan 0.000 0.450 290 F N 0.811 120.861 119.950 0.166 0.000 2.563 290 F HA 0.404 4.930 4.527 -0.001 0.000 0.316 290 F C 1.239 176.942 175.800 -0.161 0.000 1.076 290 F CA -0.827 57.175 58.000 0.004 0.000 0.921 290 F CB 2.164 41.267 39.000 0.171 0.000 1.209 290 F HN 0.495 nan 8.300 nan 0.000 0.462 291 S N 0.660 116.223 115.700 -0.230 0.000 2.404 291 S HA -0.113 4.357 4.470 -0.001 0.000 0.216 291 S C 0.231 174.484 174.600 -0.578 0.000 1.039 291 S CA 1.076 58.961 58.200 -0.525 0.000 1.062 291 S CB -0.453 62.250 63.200 -0.829 0.000 1.046 291 S HN 0.366 nan 8.310 nan 0.000 0.415 292 F N 1.448 121.369 119.950 -0.048 0.000 2.375 292 F HA 0.643 5.169 4.527 -0.001 0.000 0.362 292 F C 0.021 175.791 175.800 -0.051 0.000 1.129 292 F CA -0.465 57.538 58.000 0.006 0.000 1.154 292 F CB 0.640 39.681 39.000 0.069 0.000 1.205 292 F HN -0.024 nan 8.300 nan 0.000 0.513 293 V N 4.830 124.690 119.914 -0.089 0.000 3.078 293 V HA 0.541 4.661 4.120 -0.001 0.000 0.311 293 V C -2.312 173.498 176.094 -0.473 0.000 1.138 293 V CA -2.934 59.051 62.300 -0.524 0.000 1.007 293 V CB 2.869 34.517 31.823 -0.293 0.000 1.045 293 V HN 0.314 nan 8.190 nan 0.000 0.432 294 P HA -0.052 nan 4.420 nan 0.000 0.257 294 P C -0.858 176.342 177.300 -0.166 0.000 1.153 294 P CA 0.776 63.726 63.100 -0.249 0.000 0.762 294 P CB 0.184 31.635 31.700 -0.416 0.000 0.743 295 V N 6.201 126.113 119.914 -0.003 0.000 2.567 295 V HA 0.185 4.305 4.120 -0.001 0.000 0.289 295 V C 0.497 176.599 176.094 0.012 0.000 1.049 295 V CA -0.634 61.641 62.300 -0.043 0.000 0.969 295 V CB 0.929 32.744 31.823 -0.014 0.000 0.995 295 V HN 0.301 nan 8.190 nan 0.000 0.471 296 I N 6.600 127.115 120.570 -0.092 0.000 2.268 296 I HA 0.115 4.284 4.170 -0.001 0.000 0.298 296 I C 1.222 177.338 176.117 -0.001 0.000 1.185 296 I CA 0.035 61.320 61.300 -0.024 0.000 1.548 296 I CB -0.546 37.363 38.000 -0.151 0.000 1.492 296 I HN 0.756 nan 8.210 nan 0.000 0.711 297 D N 2.873 123.317 120.400 0.072 0.000 2.269 297 D HA -0.093 4.546 4.640 -0.001 0.000 0.208 297 D C 1.584 177.922 176.300 0.064 0.000 0.963 297 D CA 1.141 55.095 54.000 -0.078 0.000 0.864 297 D CB 0.135 40.974 40.800 0.066 0.000 0.936 297 D HN 0.599 nan 8.370 nan 0.000 0.505 298 G N -0.635 108.255 108.800 0.150 0.000 2.195 298 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.246 298 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.246 298 G C 0.854 175.836 174.900 0.137 0.000 0.984 298 G CA 0.835 46.020 45.100 0.143 0.000 0.633 298 G HN 0.531 nan 8.290 nan 0.000 0.525 299 E N -0.832 119.460 120.200 0.154 0.000 2.182 299 E HA 0.384 4.733 4.350 -0.001 0.000 0.195 299 E C 1.995 178.632 176.600 0.062 0.000 0.933 299 E CA 0.922 57.388 56.400 0.110 0.000 0.940 299 E CB -0.418 29.366 29.700 0.139 0.000 0.945 299 E HN 0.678 nan 8.360 nan 0.000 0.477 300 F N 0.093 119.975 119.950 -0.114 0.000 2.128 300 F HA 0.275 4.801 4.527 -0.001 0.000 0.295 300 F C 0.310 175.835 175.800 -0.458 0.000 1.100 300 F CA 0.957 58.752 58.000 -0.342 0.000 1.260 300 F CB 0.301 38.982 39.000 -0.532 0.000 1.009 300 F HN 0.146 nan 8.300 nan 0.000 0.476 301 F N 0.964 121.096 119.950 0.303 0.000 2.361 301 F HA 0.355 4.881 4.527 -0.001 0.000 0.364 301 F C -1.721 174.138 175.800 0.099 0.000 1.117 301 F CA -2.787 55.322 58.000 0.182 0.000 1.071 301 F CB 0.561 39.638 39.000 0.128 0.000 1.188 301 F HN -0.218 nan 8.300 nan 0.000 0.464 302 P HA -0.078 nan 4.420 nan 0.000 0.216 302 P C -0.151 177.225 177.300 0.126 0.000 1.150 302 P CA 1.676 64.853 63.100 0.128 0.000 0.843 302 P CB 0.265 32.019 31.700 0.090 0.000 0.787 303 T N -4.393 110.249 114.554 0.146 0.000 2.648 303 T HA 0.267 4.616 4.350 -0.001 0.000 0.304 303 T C -0.906 173.840 174.700 0.077 0.000 1.312 303 T CA -0.792 61.365 62.100 0.095 0.000 1.023 303 T CB 0.582 69.492 68.868 0.070 0.000 1.612 303 T HN -0.166 nan 8.240 nan 0.000 0.487 304 S N 1.196 116.913 115.700 0.029 0.000 2.544 304 S HA 0.092 4.561 4.470 -0.001 0.000 0.290 304 S C 1.247 175.851 174.600 0.008 0.000 1.276 304 S CA -0.585 57.605 58.200 -0.017 0.000 1.075 304 S CB -0.171 63.015 63.200 -0.023 0.000 0.849 304 S HN 0.505 nan 8.310 nan 0.000 0.494 305 L N 1.619 122.811 121.223 -0.051 0.000 2.283 305 L HA -0.137 4.202 4.340 -0.001 0.000 0.217 305 L C 2.566 179.483 176.870 0.077 0.000 1.104 305 L CA 1.899 56.739 54.840 0.001 0.000 0.772 305 L CB -1.408 40.577 42.059 -0.124 0.000 0.899 305 L HN 0.864 nan 8.230 nan 0.000 0.439 306 E N -1.248 118.986 120.200 0.057 0.000 2.076 306 E HA -0.123 4.227 4.350 -0.001 0.000 0.190 306 E C 2.451 179.124 176.600 0.122 0.000 0.979 306 E CA 1.256 57.723 56.400 0.111 0.000 0.807 306 E CB -0.174 29.575 29.700 0.082 0.000 0.761 306 E HN 0.274 nan 8.360 nan 0.000 0.454 307 S N -0.840 114.914 115.700 0.090 0.000 2.382 307 S HA -0.110 4.360 4.470 -0.001 0.000 0.228 307 S C 1.903 176.571 174.600 0.114 0.000 1.027 307 S CA 1.421 59.673 58.200 0.086 0.000 0.991 307 S CB -0.188 63.048 63.200 0.060 0.000 0.823 307 S HN 0.297 nan 8.310 nan 0.000 0.469 308 M N 0.160 119.846 119.600 0.144 0.000 2.064 308 M HA -0.047 4.432 4.480 -0.001 0.000 0.260 308 M C 2.030 178.519 176.300 0.315 0.000 1.073 308 M CA 1.175 56.595 55.300 0.201 0.000 1.124 308 M CB -0.583 32.164 32.600 0.246 0.000 1.326 308 M HN 0.276 nan 8.290 nan 0.000 0.410 309 L N 0.879 122.302 121.223 0.332 0.000 2.089 309 L HA -0.250 4.089 4.340 -0.001 0.000 0.213 309 L C 1.858 178.953 176.870 0.374 0.000 1.079 309 L CA 1.971 57.035 54.840 0.374 0.000 0.758 309 L CB -1.275 40.902 42.059 0.197 0.000 0.891 309 L HN 0.382 nan 8.230 nan 0.000 0.433 310 N N -1.287 117.559 118.700 0.243 0.000 2.080 310 N HA -0.160 4.579 4.740 -0.001 0.000 0.189 310 N C 1.652 177.303 175.510 0.236 0.000 1.036 310 N CA 1.367 54.542 53.050 0.209 0.000 0.846 310 N CB -0.099 38.472 38.487 0.141 0.000 1.015 310 N HN 0.376 nan 8.380 nan 0.000 0.423 311 S N -0.124 115.654 115.700 0.130 0.000 2.603 311 S HA 0.117 4.587 4.470 -0.001 0.000 0.229 311 S C 1.400 175.833 174.600 -0.279 0.000 0.972 311 S CA 0.450 58.648 58.200 -0.003 0.000 0.935 311 S CB -0.160 63.020 63.200 -0.034 0.000 0.769 311 S HN 0.478 nan 8.310 nan 0.000 0.536 312 G N 1.942 110.595 108.800 -0.246 0.000 2.225 312 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.267 312 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.267 312 G C 0.080 174.235 174.900 -1.242 0.000 1.024 312 G CA 0.195 44.568 45.100 -1.212 0.000 0.784 312 G HN 0.664 nan 8.290 nan 0.000 0.507 313 N N 0.496 118.905 118.700 -0.485 0.000 3.178 313 N HA 0.465 5.204 4.740 -0.001 0.000 0.300 313 N C -0.038 175.430 175.510 -0.069 0.000 1.242 313 N CA -0.218 52.666 53.050 -0.278 0.000 1.192 313 N CB -0.883 37.563 38.487 -0.069 0.000 1.463 313 N HN 0.628 nan 8.380 nan 0.000 0.539 314 F N -1.520 118.406 119.950 -0.041 0.000 2.711 314 F HA 0.468 4.994 4.527 -0.001 0.000 0.313 314 F C -0.075 175.759 175.800 0.057 0.000 1.141 314 F CA -1.542 56.507 58.000 0.082 0.000 0.941 314 F CB 0.667 39.803 39.000 0.227 0.000 1.349 314 F HN -0.191 nan 8.300 nan 0.000 0.464 315 K N 1.686 122.335 120.400 0.415 0.000 2.436 315 K HA 0.167 4.486 4.320 -0.001 0.000 0.282 315 K C -1.030 175.803 176.600 0.389 0.000 1.044 315 K CA -0.174 56.272 56.287 0.265 0.000 1.028 315 K CB 0.366 32.991 32.500 0.208 0.000 0.919 315 K HN 0.609 nan 8.250 nan 0.000 0.474 316 K N 2.909 123.403 120.400 0.156 0.000 2.267 316 K HA 0.171 4.491 4.320 -0.001 0.000 0.282 316 K C -0.152 176.563 176.600 0.191 0.000 1.078 316 K CA -0.190 56.182 56.287 0.141 0.000 0.903 316 K CB 1.766 34.255 32.500 -0.017 0.000 1.111 316 K HN 0.621 nan 8.250 nan 0.000 0.475 317 T N 0.567 115.334 114.554 0.354 0.000 2.626 317 T HA 0.252 4.601 4.350 -0.001 0.000 0.299 317 T C -1.742 173.176 174.700 0.364 0.000 1.181 317 T CA -0.853 61.410 62.100 0.271 0.000 1.053 317 T CB 0.789 69.795 68.868 0.230 0.000 1.566 317 T HN 0.485 nan 8.240 nan 0.000 0.486 318 Q N 2.404 122.373 119.800 0.282 0.000 2.271 318 Q HA 0.601 4.941 4.340 -0.001 0.000 0.258 318 Q C -0.400 175.908 176.000 0.514 0.000 0.936 318 Q CA -0.743 55.280 55.803 0.368 0.000 0.909 318 Q CB 1.416 30.332 28.738 0.297 0.000 1.253 318 Q HN 0.805 nan 8.270 nan 0.000 0.440 319 I N -0.669 120.147 120.570 0.412 0.000 2.545 319 I HA 0.588 4.757 4.170 -0.001 0.000 0.292 319 I C -1.158 174.941 176.117 -0.031 0.000 1.040 319 I CA -1.365 60.066 61.300 0.220 0.000 1.068 319 I CB 2.049 40.012 38.000 -0.062 0.000 1.251 319 I HN 0.586 nan 8.210 nan 0.000 0.424 320 L N 7.753 128.685 121.223 -0.485 0.000 2.294 320 L HA 0.654 4.994 4.340 -0.001 0.000 0.283 320 L C -0.943 175.770 176.870 -0.262 0.000 1.015 320 L CA -0.603 53.824 54.840 -0.689 0.000 0.831 320 L CB 1.137 42.162 42.059 -1.722 0.000 1.217 320 L HN 0.758 nan 8.230 nan 0.000 0.420 321 L N 2.558 123.796 121.223 0.024 0.000 2.327 321 L HA 1.125 5.465 4.340 -0.001 0.000 0.258 321 L C -0.568 176.389 176.870 0.145 0.000 1.024 321 L CA -0.509 54.414 54.840 0.137 0.000 0.825 321 L CB 2.138 44.226 42.059 0.050 0.000 1.386 321 L HN 0.591 nan 8.230 nan 0.000 0.417 322 G N 0.056 108.776 108.800 -0.133 0.000 2.506 322 G HA2 0.538 4.498 3.960 -0.001 0.000 0.292 322 G HA3 0.538 4.498 3.960 -0.001 0.000 0.292 322 G C -2.264 172.334 174.900 -0.503 0.000 1.425 322 G CA -0.305 44.270 45.100 -0.874 0.000 0.788 322 G HN 0.675 nan 8.290 nan 0.000 0.490 323 V N -0.528 119.157 119.914 -0.382 0.000 3.141 323 V HA 0.673 4.792 4.120 -0.001 0.000 0.312 323 V C -0.790 175.325 176.094 0.035 0.000 1.157 323 V CA -1.162 61.116 62.300 -0.037 0.000 1.041 323 V CB 2.312 34.178 31.823 0.071 0.000 1.071 323 V HN 0.811 nan 8.190 nan 0.000 0.441 324 N N 1.754 120.519 118.700 0.109 0.000 2.430 324 N HA 0.336 5.076 4.740 -0.001 0.000 0.298 324 N C 0.282 175.767 175.510 -0.042 0.000 1.130 324 N CA -0.645 52.440 53.050 0.059 0.000 0.894 324 N CB 2.189 40.807 38.487 0.218 0.000 1.209 324 N HN 0.622 nan 8.380 nan 0.000 0.503 325 K N 0.475 120.688 120.400 -0.312 0.000 2.034 325 K HA -0.151 4.168 4.320 -0.001 0.000 0.214 325 K C -0.379 176.310 176.600 0.150 0.000 1.051 325 K CA 1.471 57.686 56.287 -0.120 0.000 0.931 325 K CB 0.115 32.532 32.500 -0.139 0.000 0.715 325 K HN 0.543 nan 8.250 nan 0.000 0.446 326 D N 0.990 121.466 120.400 0.126 0.000 2.485 326 D HA 0.043 4.683 4.640 -0.001 0.000 0.256 326 D C 0.310 176.725 176.300 0.191 0.000 1.141 326 D CA -0.071 54.023 54.000 0.158 0.000 0.942 326 D CB 1.494 42.362 40.800 0.113 0.000 1.003 326 D HN 0.151 nan 8.370 nan 0.000 0.507 327 E N 0.978 121.314 120.200 0.226 0.000 2.046 327 E HA -0.073 4.277 4.350 -0.001 0.000 0.190 327 E C 2.059 178.839 176.600 0.300 0.000 0.982 327 E CA 0.571 57.145 56.400 0.291 0.000 0.800 327 E CB -0.010 29.845 29.700 0.258 0.000 0.756 327 E HN 0.480 nan 8.360 nan 0.000 0.449 328 G N 1.503 110.448 108.800 0.240 0.000 2.484 328 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.218 328 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.218 328 G C 1.736 176.759 174.900 0.205 0.000 1.130 328 G CA 1.178 46.434 45.100 0.261 0.000 0.784 328 G HN 0.355 nan 8.290 nan 0.000 0.543 329 S N 0.855 116.626 115.700 0.118 0.000 2.378 329 S HA -0.296 4.173 4.470 -0.001 0.000 0.229 329 S C 2.084 176.612 174.600 -0.120 0.000 1.052 329 S CA 1.556 59.749 58.200 -0.012 0.000 1.084 329 S CB -0.764 62.367 63.200 -0.114 0.000 0.950 329 S HN 0.313 nan 8.310 nan 0.000 0.440 330 F N 1.766 121.517 119.950 -0.332 0.000 2.161 330 F HA 0.023 4.549 4.527 -0.001 0.000 0.300 330 F C 1.707 177.124 175.800 -0.638 0.000 1.089 330 F CA 1.278 58.917 58.000 -0.601 0.000 1.282 330 F CB -0.286 38.203 39.000 -0.851 0.000 1.010 330 F HN 0.164 nan 8.300 nan 0.000 0.485 331 F N -0.523 119.344 119.950 -0.138 0.000 2.367 331 F HA -0.033 4.494 4.527 -0.001 0.000 0.298 331 F C 2.012 177.708 175.800 -0.174 0.000 1.094 331 F CA 0.661 58.531 58.000 -0.215 0.000 1.409 331 F CB -0.798 37.980 39.000 -0.370 0.000 1.064 331 F HN -0.107 nan 8.300 nan 0.000 0.528 332 L N -0.308 120.845 121.223 -0.116 0.000 2.007 332 L HA -0.174 4.165 4.340 -0.001 0.000 0.205 332 L C 2.572 179.273 176.870 -0.282 0.000 1.073 332 L CA 0.671 55.268 54.840 -0.405 0.000 0.744 332 L CB -0.803 40.646 42.059 -1.015 0.000 0.898 332 L HN 0.134 nan 8.230 nan 0.000 0.435 333 L N -0.800 120.339 121.223 -0.139 0.000 2.211 333 L HA -0.307 4.033 4.340 -0.001 0.000 0.216 333 L C 2.203 179.140 176.870 0.112 0.000 1.092 333 L CA 2.229 57.178 54.840 0.182 0.000 0.767 333 L CB -0.589 41.555 42.059 0.140 0.000 0.894 333 L HN 0.286 nan 8.230 nan 0.000 0.437 334 Y N -0.977 119.232 120.300 -0.152 0.000 2.479 334 Y HA 0.187 4.736 4.550 -0.001 0.000 0.283 334 Y C 2.315 178.154 175.900 -0.101 0.000 1.109 334 Y CA 0.931 58.952 58.100 -0.132 0.000 1.239 334 Y CB 0.165 38.459 38.460 -0.277 0.000 1.108 334 Y HN 0.189 nan 8.280 nan 0.000 0.548 335 G N -1.298 107.544 108.800 0.069 0.000 3.651 335 G HA2 0.480 4.439 3.960 -0.001 0.000 0.267 335 G HA3 0.480 4.439 3.960 -0.001 0.000 0.267 335 G C -0.267 174.657 174.900 0.040 0.000 1.009 335 G CA 0.368 45.480 45.100 0.020 0.000 0.866 335 G HN 0.235 nan 8.290 nan 0.000 0.488 336 A N 1.547 124.417 122.820 0.084 0.000 2.330 336 A HA 0.840 5.160 4.320 -0.001 0.000 0.327 336 A C -2.623 175.153 177.584 0.319 0.000 1.155 336 A CA -1.600 50.545 52.037 0.181 0.000 0.803 336 A CB 1.740 20.840 19.000 0.166 0.000 1.208 336 A HN 0.060 nan 8.150 nan 0.000 0.477 337 P HA 0.348 nan 4.420 nan 0.000 0.275 337 P C 0.823 178.149 177.300 0.043 0.000 1.228 337 P CA 1.246 64.415 63.100 0.115 0.000 0.786 337 P CB 1.359 33.086 31.700 0.045 0.000 0.927 338 G N 1.402 110.163 108.800 -0.064 0.000 2.258 338 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.233 338 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.233 338 G C -0.217 174.424 174.900 -0.431 0.000 1.006 338 G CA -0.432 44.498 45.100 -0.283 0.000 0.620 338 G HN 0.435 nan 8.290 nan 0.000 0.511 339 F N 2.074 121.965 119.950 -0.098 0.000 2.385 339 F HA 0.710 5.237 4.527 -0.001 0.000 0.336 339 F C 0.676 176.472 175.800 -0.007 0.000 1.100 339 F CA -0.209 57.705 58.000 -0.144 0.000 1.116 339 F CB 2.172 41.190 39.000 0.029 0.000 1.166 339 F HN 0.072 nan 8.300 nan 0.000 0.511 340 S N 1.313 117.131 115.700 0.196 0.000 2.533 340 S HA 0.235 4.704 4.470 -0.001 0.000 0.271 340 S C 0.482 175.300 174.600 0.364 0.000 1.143 340 S CA -1.244 57.090 58.200 0.224 0.000 0.891 340 S CB 2.132 65.377 63.200 0.076 0.000 1.105 340 S HN 0.733 nan 8.310 nan 0.000 0.468 341 K N 1.326 121.906 120.400 0.301 0.000 2.063 341 K HA -0.139 4.180 4.320 -0.001 0.000 0.208 341 K C 0.339 177.041 176.600 0.171 0.000 1.048 341 K CA 1.767 58.164 56.287 0.183 0.000 0.928 341 K CB -0.076 32.251 32.500 -0.289 0.000 0.713 341 K HN 0.599 nan 8.250 nan 0.000 0.442 342 D N 0.632 121.086 120.400 0.089 0.000 2.340 342 D HA -0.023 4.616 4.640 -0.001 0.000 0.220 342 D C 0.253 176.593 176.300 0.066 0.000 1.039 342 D CA 0.357 54.385 54.000 0.047 0.000 0.866 342 D CB 0.481 41.276 40.800 -0.008 0.000 0.913 342 D HN 0.241 nan 8.370 nan 0.000 0.523 343 S N -0.978 114.771 115.700 0.082 0.000 2.599 343 S HA 0.181 4.650 4.470 -0.001 0.000 0.294 343 S C 0.612 175.151 174.600 -0.102 0.000 1.094 343 S CA -0.655 57.537 58.200 -0.015 0.000 0.931 343 S CB 2.754 65.905 63.200 -0.082 0.000 1.093 343 S HN -0.162 nan 8.310 nan 0.000 0.488 344 E N 1.224 121.339 120.200 -0.142 0.000 2.510 344 E HA 0.009 4.358 4.350 -0.001 0.000 0.202 344 E C 0.155 176.382 176.600 -0.622 0.000 1.072 344 E CA 0.678 56.939 56.400 -0.233 0.000 0.883 344 E CB -1.350 28.289 29.700 -0.101 0.000 0.818 344 E HN 0.928 nan 8.360 nan 0.000 0.548 345 S N 0.562 115.868 115.700 -0.657 0.000 3.447 345 S HA -0.224 4.246 4.470 -0.001 0.000 0.371 345 S C 0.004 174.206 174.600 -0.663 0.000 0.951 345 S CA 0.868 58.584 58.200 -0.807 0.000 1.269 345 S CB -1.325 61.051 63.200 -1.373 0.000 0.919 345 S HN 0.493 nan 8.310 nan 0.000 0.516 346 K N 0.982 121.132 120.400 -0.417 0.000 2.155 346 K HA 0.191 4.510 4.320 -0.001 0.000 0.240 346 K C 0.187 176.603 176.600 -0.308 0.000 1.193 346 K CA -0.479 55.631 56.287 -0.295 0.000 1.104 346 K CB -0.008 32.379 32.500 -0.189 0.000 1.558 346 K HN 0.298 nan 8.250 nan 0.000 0.313 347 I N 2.450 122.773 120.570 -0.411 0.000 2.906 347 I HA -0.189 3.981 4.170 -0.001 0.000 0.301 347 I C 1.172 177.181 176.117 -0.180 0.000 1.221 347 I CA 0.789 61.870 61.300 -0.366 0.000 1.435 347 I CB 0.055 37.793 38.000 -0.437 0.000 1.345 347 I HN 0.480 nan 8.210 nan 0.000 0.558 348 S N 6.246 121.861 115.700 -0.142 0.000 2.608 348 S HA 0.261 4.731 4.470 -0.001 0.000 0.261 348 S C 1.217 175.805 174.600 -0.021 0.000 1.314 348 S CA -0.555 57.596 58.200 -0.082 0.000 0.992 348 S CB 1.042 64.201 63.200 -0.069 0.000 0.935 348 S HN 0.620 nan 8.310 nan 0.000 0.564 349 R N 0.751 121.241 120.500 -0.017 0.000 2.066 349 R HA -0.048 4.291 4.340 -0.001 0.000 0.232 349 R C 2.509 178.869 176.300 0.099 0.000 1.131 349 R CA 2.023 58.145 56.100 0.037 0.000 0.955 349 R CB -1.370 28.925 30.300 -0.009 0.000 0.851 349 R HN 0.783 nan 8.270 nan 0.000 0.432 350 E N 0.290 120.518 120.200 0.046 0.000 2.219 350 E HA -0.170 4.179 4.350 -0.001 0.000 0.198 350 E C 0.845 177.471 176.600 0.044 0.000 0.998 350 E CA 1.785 58.210 56.400 0.042 0.000 0.818 350 E CB -0.336 29.373 29.700 0.015 0.000 0.741 350 E HN 0.527 nan 8.360 nan 0.000 0.477 351 D N -1.502 118.922 120.400 0.039 0.000 2.301 351 D HA 0.077 4.717 4.640 -0.001 0.000 0.206 351 D C 1.466 177.813 176.300 0.079 0.000 0.979 351 D CA 0.412 54.429 54.000 0.028 0.000 0.874 351 D CB -0.467 40.315 40.800 -0.031 0.000 0.968 351 D HN 0.418 nan 8.370 nan 0.000 0.510 352 F N 1.502 121.435 119.950 -0.028 0.000 2.095 352 F HA -0.275 4.252 4.527 -0.001 0.000 0.298 352 F C 2.330 178.148 175.800 0.029 0.000 1.104 352 F CA 1.334 59.337 58.000 0.004 0.000 1.232 352 F CB -0.355 38.628 39.000 -0.028 0.000 0.987 352 F HN -0.172 nan 8.300 nan 0.000 0.475 353 M N -0.562 119.040 119.600 0.003 0.000 2.460 353 M HA -0.102 4.377 4.480 -0.001 0.000 0.263 353 M C 2.317 178.556 176.300 -0.101 0.000 1.071 353 M CA 1.471 56.712 55.300 -0.099 0.000 1.096 353 M CB -1.524 31.110 32.600 0.056 0.000 1.408 353 M HN 0.359 nan 8.290 nan 0.000 0.463 354 S N 0.209 115.879 115.700 -0.051 0.000 2.414 354 S HA 0.067 4.536 4.470 -0.001 0.000 0.227 354 S C 2.194 176.767 174.600 -0.046 0.000 1.022 354 S CA 1.011 59.194 58.200 -0.030 0.000 0.958 354 S CB -0.646 62.556 63.200 0.004 0.000 0.797 354 S HN 0.729 nan 8.310 nan 0.000 0.493 355 G N 2.254 111.013 108.800 -0.068 0.000 2.434 355 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.214 355 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.214 355 G C 1.687 176.495 174.900 -0.153 0.000 1.202 355 G CA 1.172 46.240 45.100 -0.053 0.000 0.788 355 G HN 0.523 nan 8.290 nan 0.000 0.539 356 V N 1.264 120.985 119.914 -0.321 0.000 2.546 356 V HA -0.233 3.886 4.120 -0.001 0.000 0.254 356 V C 2.580 178.584 176.094 -0.151 0.000 1.076 356 V CA 2.787 64.927 62.300 -0.266 0.000 1.087 356 V CB -0.739 30.878 31.823 -0.342 0.000 0.674 356 V HN 0.673 nan 8.190 nan 0.000 0.470 357 K N 0.681 121.008 120.400 -0.122 0.000 2.025 357 K HA -0.047 4.273 4.320 -0.001 0.000 0.207 357 K C 2.172 178.721 176.600 -0.084 0.000 1.049 357 K CA 2.031 58.266 56.287 -0.087 0.000 0.933 357 K CB -0.599 31.867 32.500 -0.057 0.000 0.714 357 K HN 0.507 nan 8.250 nan 0.000 0.438 358 L N 1.619 122.803 121.223 -0.065 0.000 2.093 358 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 358 L C 2.476 179.314 176.870 -0.052 0.000 1.085 358 L CA 1.114 55.927 54.840 -0.045 0.000 0.755 358 L CB -0.364 41.684 42.059 -0.018 0.000 0.904 358 L HN 0.270 nan 8.230 nan 0.000 0.435 359 S N -0.518 115.140 115.700 -0.070 0.000 2.355 359 S HA -0.060 4.409 4.470 -0.001 0.000 0.222 359 S C 1.114 175.614 174.600 -0.166 0.000 1.031 359 S CA 0.750 58.910 58.200 -0.067 0.000 0.993 359 S CB -0.006 63.152 63.200 -0.070 0.000 0.859 359 S HN 0.176 nan 8.310 nan 0.000 0.453 360 V N 3.569 123.330 119.914 -0.255 0.000 2.370 360 V HA 0.195 4.314 4.120 -0.001 0.000 0.279 360 V C -1.701 174.114 176.094 -0.464 0.000 1.280 360 V CA -1.328 60.666 62.300 -0.510 0.000 1.392 360 V CB 0.137 31.748 31.823 -0.353 0.000 1.464 360 V HN 0.285 nan 8.190 nan 0.000 0.525 361 P HA -0.184 nan 4.420 nan 0.000 0.226 361 P C 1.036 178.283 177.300 -0.088 0.000 1.146 361 P CA 1.529 64.553 63.100 -0.125 0.000 0.773 361 P CB 0.091 31.780 31.700 -0.019 0.000 0.772 362 H N -0.831 118.221 119.070 -0.030 0.000 2.520 362 H HA 0.368 4.924 4.556 -0.001 0.000 0.279 362 H C 0.853 176.165 175.328 -0.025 0.000 0.990 362 H CA -0.030 56.002 56.048 -0.027 0.000 1.288 362 H CB -0.813 28.934 29.762 -0.025 0.000 1.446 362 H HN -0.051 nan 8.280 nan 0.000 0.538 363 A N 3.084 125.769 122.820 -0.225 0.000 2.546 363 A HA 0.033 4.353 4.320 -0.001 0.000 0.243 363 A C 0.347 177.902 177.584 -0.047 0.000 1.063 363 A CA -0.079 51.898 52.037 -0.101 0.000 0.757 363 A CB -0.319 18.593 19.000 -0.146 0.000 0.991 363 A HN 0.736 nan 8.150 nan 0.000 0.503 364 N N 2.016 120.707 118.700 -0.016 0.000 2.364 364 N HA 0.409 5.148 4.740 -0.001 0.000 0.264 364 N C 0.953 176.459 175.510 -0.007 0.000 1.263 364 N CA 0.203 53.248 53.050 -0.010 0.000 0.959 364 N CB -0.159 38.325 38.487 -0.005 0.000 1.204 364 N HN 0.563 nan 8.380 nan 0.000 0.550 365 D N -0.321 120.080 120.400 0.001 0.000 2.133 365 D HA -0.160 4.479 4.640 -0.001 0.000 0.192 365 D C 1.744 178.058 176.300 0.024 0.000 1.001 365 D CA 1.717 55.724 54.000 0.012 0.000 0.844 365 D CB -0.614 40.194 40.800 0.015 0.000 0.944 365 D HN 0.517 nan 8.370 nan 0.000 0.447 366 L N 0.138 121.373 121.223 0.020 0.000 2.083 366 L HA 0.021 4.360 4.340 -0.001 0.000 0.209 366 L C 3.165 180.059 176.870 0.040 0.000 1.083 366 L CA 1.478 56.337 54.840 0.032 0.000 0.752 366 L CB -0.703 41.366 42.059 0.017 0.000 0.899 366 L HN 0.442 nan 8.230 nan 0.000 0.433 367 G N 0.106 108.915 108.800 0.015 0.000 2.480 367 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.216 367 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.216 367 G C 1.523 176.456 174.900 0.055 0.000 1.200 367 G CA 0.773 45.883 45.100 0.017 0.000 0.782 367 G HN 0.299 nan 8.290 nan 0.000 0.554 368 L N 0.325 121.565 121.223 0.029 0.000 2.081 368 L HA -0.120 4.220 4.340 -0.001 0.000 0.212 368 L C 2.545 179.465 176.870 0.084 0.000 1.080 368 L CA 1.284 56.145 54.840 0.035 0.000 0.754 368 L CB -0.450 41.612 42.059 0.006 0.000 0.893 368 L HN 0.113 nan 8.230 nan 0.000 0.433 369 D N 0.059 120.514 120.400 0.092 0.000 2.097 369 D HA -0.151 4.488 4.640 -0.001 0.000 0.195 369 D C 2.239 178.627 176.300 0.148 0.000 0.989 369 D CA 1.547 55.621 54.000 0.125 0.000 0.827 369 D CB -0.027 40.832 40.800 0.098 0.000 0.966 369 D HN 0.292 nan 8.370 nan 0.000 0.456 370 A N 0.151 123.065 122.820 0.156 0.000 1.933 370 A HA -0.126 4.193 4.320 -0.001 0.000 0.218 370 A C 2.486 180.088 177.584 0.030 0.000 1.175 370 A CA 1.296 53.450 52.037 0.195 0.000 0.628 370 A CB -0.653 18.587 19.000 0.399 0.000 0.814 370 A HN 0.161 nan 8.150 nan 0.000 0.444 371 V N -0.485 119.494 119.914 0.108 0.000 2.307 371 V HA -0.217 3.902 4.120 -0.001 0.000 0.245 371 V C 2.719 178.900 176.094 0.145 0.000 1.045 371 V CA 2.464 64.800 62.300 0.059 0.000 1.024 371 V CB -1.367 30.561 31.823 0.176 0.000 0.651 371 V HN 0.573 nan 8.190 nan 0.000 0.449 372 T N 0.733 115.405 114.554 0.197 0.000 2.720 372 T HA -0.196 4.153 4.350 -0.001 0.000 0.268 372 T C 1.912 176.810 174.700 0.330 0.000 1.037 372 T CA 1.889 64.186 62.100 0.328 0.000 1.144 372 T CB -0.379 68.690 68.868 0.335 0.000 0.864 372 T HN 0.317 nan 8.240 nan 0.000 0.444 373 L N 1.336 122.744 121.223 0.307 0.000 2.042 373 L HA -0.115 4.224 4.340 -0.001 0.000 0.210 373 L C 2.292 179.275 176.870 0.188 0.000 1.076 373 L CA 1.774 56.855 54.840 0.401 0.000 0.749 373 L CB -0.691 41.468 42.059 0.166 0.000 0.893 373 L HN 0.114 nan 8.230 nan 0.000 0.432 374 Q N -1.271 118.442 119.800 -0.146 0.000 2.123 374 Q HA -0.124 4.216 4.340 -0.001 0.000 0.199 374 Q C 2.045 177.774 176.000 -0.453 0.000 0.966 374 Q CA 1.719 57.264 55.803 -0.431 0.000 0.845 374 Q CB -0.434 27.726 28.738 -0.963 0.000 0.907 374 Q HN 0.655 nan 8.270 nan 0.000 0.439 375 Y N 0.432 120.714 120.300 -0.029 0.000 2.500 375 Y HA 0.122 4.671 4.550 -0.001 0.000 0.270 375 Y C 0.699 176.538 175.900 -0.101 0.000 1.134 375 Y CA 0.106 58.236 58.100 0.050 0.000 1.293 375 Y CB 0.615 39.221 38.460 0.244 0.000 1.063 375 Y HN -0.146 nan 8.280 nan 0.000 0.534 376 T N 0.943 115.370 114.554 -0.212 0.000 2.897 376 T HA -0.046 4.304 4.350 -0.001 0.000 0.294 376 T C 0.989 175.223 174.700 -0.776 0.000 1.004 376 T CA -0.381 61.261 62.100 -0.764 0.000 1.106 376 T CB 1.016 69.025 68.868 -1.431 0.000 0.949 376 T HN 0.264 nan 8.240 nan 0.000 0.520 377 D N 1.312 121.342 120.400 -0.616 0.000 2.219 377 D HA -0.113 4.527 4.640 -0.001 0.000 0.205 377 D C 0.704 176.893 176.300 -0.185 0.000 0.970 377 D CA 0.772 54.578 54.000 -0.323 0.000 0.851 377 D CB 0.106 40.775 40.800 -0.218 0.000 0.943 377 D HN 0.849 nan 8.370 nan 0.000 0.488 378 W N -1.299 119.956 121.300 -0.074 0.000 2.093 378 W HA -0.282 4.377 4.660 -0.001 0.000 0.244 378 W C 1.539 178.031 176.519 -0.046 0.000 0.971 378 W CA 0.479 57.791 57.345 -0.055 0.000 0.464 378 W CB -1.217 28.214 29.460 -0.049 0.000 1.975 378 W HN 0.113 nan 8.180 nan 0.000 1.487 379 M N -0.654 119.020 119.600 0.123 0.000 2.412 379 M HA 0.155 4.634 4.480 -0.001 0.000 0.315 379 M C 0.015 176.325 176.300 0.016 0.000 1.092 379 M CA 1.099 56.441 55.300 0.071 0.000 0.974 379 M CB 0.119 32.749 32.600 0.049 0.000 1.437 379 M HN 0.035 nan 8.290 nan 0.000 0.524 380 D N 0.220 120.606 120.400 -0.022 0.000 4.559 380 D HA -0.044 4.595 4.640 -0.001 0.000 0.212 380 D C 0.154 176.373 176.300 -0.136 0.000 1.399 380 D CA 0.187 54.150 54.000 -0.062 0.000 0.822 380 D CB 0.177 40.939 40.800 -0.064 0.000 1.402 380 D HN 0.211 nan 8.370 nan 0.000 0.901 381 D N -1.121 119.191 120.400 -0.146 0.000 2.387 381 D HA -0.038 4.601 4.640 -0.001 0.000 0.257 381 D C 0.784 176.948 176.300 -0.226 0.000 1.198 381 D CA 0.779 54.609 54.000 -0.283 0.000 0.945 381 D CB -0.892 39.761 40.800 -0.245 0.000 0.907 381 D HN 0.413 nan 8.370 nan 0.000 0.518 382 N N 0.237 118.838 118.700 -0.166 0.000 2.067 382 N HA -0.079 4.660 4.740 -0.001 0.000 0.227 382 N C 0.517 175.949 175.510 -0.130 0.000 1.348 382 N CA -0.470 52.503 53.050 -0.128 0.000 0.879 382 N CB -0.325 38.118 38.487 -0.073 0.000 1.109 382 N HN 0.059 nan 8.380 nan 0.000 0.501 383 N N 1.455 120.071 118.700 -0.140 0.000 2.411 383 N HA 0.060 4.799 4.740 -0.001 0.000 0.265 383 N C 1.463 176.895 175.510 -0.130 0.000 1.266 383 N CA 0.819 53.799 53.050 -0.116 0.000 0.889 383 N CB 0.849 39.273 38.487 -0.105 0.000 1.069 383 N HN 0.376 nan 8.380 nan 0.000 0.476 384 G N 5.098 113.831 108.800 -0.111 0.000 2.459 384 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.217 384 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.217 384 G C 1.616 176.448 174.900 -0.114 0.000 1.183 384 G CA 0.506 45.531 45.100 -0.126 0.000 0.776 384 G HN 0.647 nan 8.290 nan 0.000 0.552 385 I N 1.224 121.746 120.570 -0.080 0.000 2.099 385 I HA -0.162 4.007 4.170 -0.001 0.000 0.239 385 I C 2.672 178.780 176.117 -0.015 0.000 1.066 385 I CA 1.488 62.767 61.300 -0.035 0.000 1.324 385 I CB -1.205 36.789 38.000 -0.010 0.000 1.037 385 I HN 0.230 nan 8.210 nan 0.000 0.401 386 K N 0.601 120.972 120.400 -0.048 0.000 2.074 386 K HA -0.211 4.109 4.320 -0.001 0.000 0.209 386 K C 1.820 178.364 176.600 -0.093 0.000 1.048 386 K CA 1.541 57.789 56.287 -0.064 0.000 0.926 386 K CB -0.277 32.151 32.500 -0.119 0.000 0.713 386 K HN 0.391 nan 8.250 nan 0.000 0.444 387 N N 0.642 119.246 118.700 -0.160 0.000 2.188 387 N HA -0.151 4.588 4.740 -0.001 0.000 0.184 387 N C 1.779 177.375 175.510 0.144 0.000 1.018 387 N CA 0.746 53.685 53.050 -0.185 0.000 0.858 387 N CB -0.176 38.191 38.487 -0.200 0.000 0.989 387 N HN 0.223 nan 8.380 nan 0.000 0.426 388 R N 1.411 121.965 120.500 0.091 0.000 2.070 388 R HA -0.111 4.229 4.340 -0.001 0.000 0.232 388 R C 0.762 177.276 176.300 0.357 0.000 1.138 388 R CA 1.546 57.775 56.100 0.215 0.000 0.936 388 R CB -0.192 30.145 30.300 0.062 0.000 0.839 388 R HN 0.087 nan 8.270 nan 0.000 0.429 389 D N -0.499 120.055 120.400 0.256 0.000 2.178 389 D HA -0.087 4.553 4.640 -0.001 0.000 0.201 389 D C 1.751 178.219 176.300 0.279 0.000 0.980 389 D CA 1.392 55.550 54.000 0.264 0.000 0.842 389 D CB -0.611 40.307 40.800 0.197 0.000 0.948 389 D HN 0.514 nan 8.370 nan 0.000 0.472 390 G N 0.837 109.803 108.800 0.277 0.000 2.440 390 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.218 390 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.218 390 G C 1.730 176.853 174.900 0.372 0.000 1.154 390 G CA 0.355 45.681 45.100 0.377 0.000 0.767 390 G HN 0.267 nan 8.290 nan 0.000 0.552 391 L N 0.280 121.749 121.223 0.409 0.000 2.109 391 L HA -0.001 4.339 4.340 -0.001 0.000 0.207 391 L C 2.464 179.432 176.870 0.163 0.000 1.086 391 L CA 1.243 56.232 54.840 0.249 0.000 0.760 391 L CB -0.365 41.909 42.059 0.358 0.000 0.910 391 L HN 0.227 nan 8.230 nan 0.000 0.437 392 D N -0.078 120.465 120.400 0.238 0.000 2.311 392 D HA -0.207 4.433 4.640 -0.001 0.000 0.212 392 D C 1.390 177.793 176.300 0.171 0.000 0.972 392 D CA 1.168 55.291 54.000 0.205 0.000 0.887 392 D CB 0.204 41.166 40.800 0.270 0.000 0.915 392 D HN 0.263 nan 8.370 nan 0.000 0.497 393 D N -0.955 119.540 120.400 0.158 0.000 2.431 393 D HA 0.094 4.734 4.640 -0.001 0.000 0.235 393 D C 2.182 178.450 176.300 -0.052 0.000 0.980 393 D CA 0.116 54.210 54.000 0.157 0.000 0.912 393 D CB -0.115 40.900 40.800 0.359 0.000 1.056 393 D HN 0.263 nan 8.370 nan 0.000 0.494 394 I N 0.885 121.257 120.570 -0.331 0.000 2.151 394 I HA -0.249 3.920 4.170 -0.001 0.000 0.243 394 I C 2.206 178.250 176.117 -0.122 0.000 1.080 394 I CA 0.978 62.069 61.300 -0.350 0.000 1.339 394 I CB -0.266 37.574 38.000 -0.266 0.000 1.039 394 I HN -0.088 nan 8.210 nan 0.000 0.409 395 V N 0.929 120.808 119.914 -0.058 0.000 2.427 395 V HA -0.145 3.974 4.120 -0.001 0.000 0.248 395 V C 2.536 178.600 176.094 -0.051 0.000 1.051 395 V CA 1.978 64.268 62.300 -0.016 0.000 1.048 395 V CB -1.418 30.445 31.823 0.066 0.000 0.666 395 V HN 0.558 nan 8.190 nan 0.000 0.456 396 G N 0.207 109.014 108.800 0.012 0.000 2.464 396 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.214 396 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.214 396 G C 1.168 176.037 174.900 -0.052 0.000 1.218 396 G CA 1.080 46.204 45.100 0.040 0.000 0.794 396 G HN 0.496 nan 8.290 nan 0.000 0.542 397 D N -0.024 120.366 120.400 -0.016 0.000 2.087 397 D HA -0.133 4.507 4.640 -0.001 0.000 0.192 397 D C 2.097 178.128 176.300 -0.447 0.000 0.993 397 D CA 1.580 55.547 54.000 -0.056 0.000 0.828 397 D CB -0.846 40.115 40.800 0.268 0.000 0.968 397 D HN 0.448 nan 8.370 nan 0.000 0.448 398 H N 0.877 119.354 119.070 -0.989 0.000 2.353 398 H HA -0.070 4.485 4.556 -0.001 0.000 0.298 398 H C 1.497 176.388 175.328 -0.729 0.000 1.103 398 H CA 2.095 57.289 56.048 -1.423 0.000 1.293 398 H CB -0.056 28.661 29.762 -1.742 0.000 1.372 398 H HN 0.077 nan 8.280 nan 0.000 0.501 399 N N -0.917 117.274 118.700 -0.848 0.000 2.336 399 N HA -0.022 4.718 4.740 -0.001 0.000 0.177 399 N C 1.448 176.643 175.510 -0.526 0.000 1.018 399 N CA 1.300 53.831 53.050 -0.865 0.000 0.878 399 N CB 0.755 38.480 38.487 -1.269 0.000 0.997 399 N HN 0.287 nan 8.380 nan 0.000 0.433 400 V N 0.687 120.391 119.914 -0.350 0.000 3.058 400 V HA 0.156 4.275 4.120 -0.001 0.000 0.233 400 V C 2.087 178.141 176.094 -0.067 0.000 1.255 400 V CA 0.069 62.304 62.300 -0.109 0.000 1.267 400 V CB 0.386 32.240 31.823 0.053 0.000 1.049 400 V HN 0.016 nan 8.190 nan 0.000 0.486 401 I N 0.257 120.795 120.570 -0.053 0.000 2.133 401 I HA -0.240 3.929 4.170 -0.001 0.000 0.238 401 I C 2.586 178.685 176.117 -0.030 0.000 1.074 401 I CA 1.709 63.003 61.300 -0.010 0.000 1.342 401 I CB -0.438 37.593 38.000 0.052 0.000 1.053 401 I HN 0.350 nan 8.210 nan 0.000 0.404 402 c N 1.054 119.621 118.600 -0.055 0.000 2.413 402 c HA -0.076 4.493 4.570 -0.001 0.000 0.276 402 c C 0.248 174.325 174.090 -0.023 0.000 1.236 402 c CA 0.943 57.271 56.329 -0.002 0.000 1.735 402 c CB -1.988 40.543 42.510 0.034 0.000 2.031 402 c HN 0.362 nan 8.230 nan 0.000 0.474 403 P HA -0.073 nan 4.420 nan 0.000 0.218 403 P C 1.695 178.997 177.300 0.003 0.000 1.149 403 P CA 1.004 64.041 63.100 -0.106 0.000 0.817 403 P CB -0.175 31.367 31.700 -0.264 0.000 0.785 404 L N -1.773 119.435 121.223 -0.024 0.000 2.056 404 L HA -0.108 4.232 4.340 -0.001 0.000 0.207 404 L C 2.009 178.908 176.870 0.047 0.000 1.078 404 L CA 1.541 56.391 54.840 0.017 0.000 0.749 404 L CB -0.499 41.546 42.059 -0.023 0.000 0.901 404 L HN -0.107 nan 8.230 nan 0.000 0.433 405 M N -1.089 118.527 119.600 0.025 0.000 2.279 405 M HA -0.192 4.288 4.480 -0.001 0.000 0.264 405 M C 2.094 178.460 176.300 0.109 0.000 1.062 405 M CA 1.418 56.731 55.300 0.023 0.000 1.099 405 M CB -1.461 31.169 32.600 0.050 0.000 1.394 405 M HN 0.399 nan 8.290 nan 0.000 0.426 406 H N -0.197 118.899 119.070 0.043 0.000 2.268 406 H HA -0.135 4.420 4.556 -0.001 0.000 0.304 406 H C 1.793 177.171 175.328 0.083 0.000 1.064 406 H CA 2.044 58.131 56.048 0.064 0.000 1.316 406 H CB -0.523 29.267 29.762 0.048 0.000 1.386 406 H HN 0.219 nan 8.280 nan 0.000 0.496 407 F N 0.230 120.174 119.950 -0.011 0.000 2.120 407 F HA -0.230 4.296 4.527 -0.001 0.000 0.300 407 F C 2.507 178.254 175.800 -0.089 0.000 1.095 407 F CA 1.625 59.568 58.000 -0.095 0.000 1.249 407 F CB -0.894 38.040 39.000 -0.110 0.000 0.995 407 F HN 0.144 nan 8.300 nan 0.000 0.480 408 V N 1.014 120.867 119.914 -0.102 0.000 2.295 408 V HA -0.301 3.819 4.120 -0.001 0.000 0.246 408 V C 2.252 178.288 176.094 -0.097 0.000 1.049 408 V CA 2.582 64.738 62.300 -0.240 0.000 1.024 408 V CB -0.602 30.988 31.823 -0.389 0.000 0.648 408 V HN 0.434 nan 8.190 nan 0.000 0.447 409 N N 0.183 118.885 118.700 0.004 0.000 2.084 409 N HA -0.125 4.615 4.740 -0.001 0.000 0.190 409 N C 1.764 177.260 175.510 -0.023 0.000 1.030 409 N CA 1.400 54.522 53.050 0.119 0.000 0.849 409 N CB -0.343 38.218 38.487 0.123 0.000 1.012 409 N HN 0.441 nan 8.380 nan 0.000 0.423 410 K N 0.329 120.638 120.400 -0.152 0.000 2.148 410 K HA -0.106 4.213 4.320 -0.001 0.000 0.204 410 K C 1.901 178.478 176.600 -0.038 0.000 1.050 410 K CA 0.593 56.803 56.287 -0.130 0.000 0.942 410 K CB -0.602 31.770 32.500 -0.214 0.000 0.724 410 K HN 0.372 nan 8.250 nan 0.000 0.446 411 Y N 2.018 122.085 120.300 -0.390 0.000 2.243 411 Y HA -0.129 4.421 4.550 -0.001 0.000 0.293 411 Y C 2.177 178.054 175.900 -0.038 0.000 1.124 411 Y CA 1.496 59.323 58.100 -0.455 0.000 1.159 411 Y CB -0.186 37.615 38.460 -1.097 0.000 1.008 411 Y HN -0.042 nan 8.280 nan 0.000 0.527 412 T N 1.419 116.033 114.554 0.100 0.000 2.822 412 T HA -0.219 4.131 4.350 -0.001 0.000 0.270 412 T C 1.337 176.011 174.700 -0.044 0.000 1.064 412 T CA 1.856 64.025 62.100 0.114 0.000 1.131 412 T CB -0.361 68.658 68.868 0.251 0.000 0.858 412 T HN 0.502 nan 8.240 nan 0.000 0.483 413 K N -0.247 120.055 120.400 -0.163 0.000 2.569 413 K HA 0.149 4.468 4.320 -0.001 0.000 0.193 413 K C 0.358 176.536 176.600 -0.703 0.000 1.026 413 K CA 0.694 56.725 56.287 -0.427 0.000 1.093 413 K CB 0.060 32.224 32.500 -0.559 0.000 0.849 413 K HN 0.292 nan 8.250 nan 0.000 0.509 414 F N -0.328 119.574 119.950 -0.079 0.000 2.801 414 F HA 0.241 4.767 4.527 -0.001 0.000 0.381 414 F C 1.189 176.868 175.800 -0.201 0.000 0.861 414 F CA -0.494 57.413 58.000 -0.155 0.000 1.039 414 F CB 0.002 38.848 39.000 -0.257 0.000 1.041 414 F HN 0.076 nan 8.300 nan 0.000 0.596 415 G N 0.081 108.804 108.800 -0.127 0.000 2.599 415 G HA2 0.171 4.131 3.960 -0.001 0.000 0.264 415 G HA3 0.171 4.131 3.960 -0.001 0.000 0.264 415 G C -0.191 174.754 174.900 0.075 0.000 1.200 415 G CA -0.226 44.803 45.100 -0.119 0.000 0.896 415 G HN 0.125 nan 8.290 nan 0.000 0.536 416 N N 0.041 118.830 118.700 0.148 0.000 2.994 416 N HA 0.449 5.188 4.740 -0.001 0.000 0.306 416 N C 0.215 175.804 175.510 0.132 0.000 1.348 416 N CA 0.915 54.031 53.050 0.109 0.000 1.109 416 N CB -0.124 38.413 38.487 0.084 0.000 1.415 416 N HN 1.057 nan 8.380 nan 0.000 0.529 417 G N 0.041 108.914 108.800 0.121 0.000 3.055 417 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.685 417 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.685 417 G C -0.911 174.023 174.900 0.057 0.000 1.212 417 G CA -0.961 44.162 45.100 0.039 0.000 0.822 417 G HN 0.136 nan 8.290 nan 0.000 0.610 418 T N 1.708 116.177 114.554 -0.143 0.000 2.881 418 T HA 0.664 5.014 4.350 -0.001 0.000 0.290 418 T C -1.148 173.354 174.700 -0.329 0.000 1.000 418 T CA -0.327 61.737 62.100 -0.061 0.000 0.978 418 T CB 1.253 70.206 68.868 0.141 0.000 0.997 418 T HN 0.500 nan 8.240 nan 0.000 0.443 419 Y N 2.340 122.610 120.300 -0.051 0.000 2.326 419 Y HA 0.654 5.203 4.550 -0.001 0.000 0.331 419 Y C -0.469 175.521 175.900 0.151 0.000 0.962 419 Y CA -1.115 56.891 58.100 -0.157 0.000 1.167 419 Y CB 1.428 39.334 38.460 -0.924 0.000 1.148 419 Y HN 0.410 nan 8.280 nan 0.000 0.463 420 L N 6.094 127.694 121.223 0.627 0.000 2.322 420 L HA 0.608 4.947 4.340 -0.001 0.000 0.281 420 L C -1.115 176.234 176.870 0.798 0.000 1.014 420 L CA -1.089 54.065 54.840 0.523 0.000 0.815 420 L CB 0.636 42.769 42.059 0.122 0.000 1.247 420 L HN 0.559 nan 8.230 nan 0.000 0.421 421 Y N 2.952 123.559 120.300 0.512 0.000 2.630 421 Y HA 0.755 5.304 4.550 -0.001 0.000 0.337 421 Y C -1.530 174.631 175.900 0.435 0.000 1.051 421 Y CA -1.542 56.789 58.100 0.385 0.000 1.121 421 Y CB 1.357 39.965 38.460 0.246 0.000 1.299 421 Y HN 0.506 nan 8.280 nan 0.000 0.498 422 F N 3.318 123.466 119.950 0.331 0.000 2.646 422 F HA 0.393 4.919 4.527 -0.001 0.000 0.364 422 F C -1.810 174.201 175.800 0.351 0.000 1.137 422 F CA -2.161 55.954 58.000 0.192 0.000 1.085 422 F CB 0.578 39.733 39.000 0.260 0.000 1.331 422 F HN 0.550 nan 8.300 nan 0.000 0.472 423 F N 7.654 127.601 119.950 -0.005 0.000 2.462 423 F HA 0.269 4.796 4.527 -0.001 0.000 0.360 423 F C 0.140 175.759 175.800 -0.302 0.000 1.134 423 F CA -0.239 57.764 58.000 0.005 0.000 1.148 423 F CB 0.244 39.364 39.000 0.199 0.000 1.147 423 F HN 0.487 nan 8.300 nan 0.000 0.550 424 N N 4.378 122.715 118.700 -0.606 0.000 2.918 424 N HA 0.168 4.907 4.740 -0.001 0.000 0.270 424 N C -1.607 173.647 175.510 -0.427 0.000 1.536 424 N CA -0.579 52.188 53.050 -0.473 0.000 0.877 424 N CB 0.124 38.441 38.487 -0.282 0.000 1.190 424 N HN 0.705 nan 8.380 nan 0.000 0.492 425 H N -0.299 118.323 119.070 -0.746 0.000 3.096 425 H HA 0.365 4.920 4.556 -0.001 0.000 0.335 425 H C -1.256 173.973 175.328 -0.165 0.000 0.990 425 H CA -0.546 55.172 56.048 -0.550 0.000 1.393 425 H CB 1.287 30.512 29.762 -0.896 0.000 1.742 425 H HN 0.292 nan 8.280 nan 0.000 0.501 426 R N 4.146 124.364 120.500 -0.470 0.000 2.210 426 R HA 0.519 4.858 4.340 -0.001 0.000 0.338 426 R C -0.456 175.667 176.300 -0.296 0.000 1.062 426 R CA -0.356 55.614 56.100 -0.216 0.000 0.902 426 R CB 0.224 30.442 30.300 -0.136 0.000 1.050 426 R HN 0.769 nan 8.270 nan 0.000 0.461 427 A N 3.460 126.369 122.820 0.148 0.000 2.563 427 A HA -0.055 4.264 4.320 -0.001 0.000 0.256 427 A C 1.495 179.165 177.584 0.143 0.000 1.056 427 A CA 0.779 53.070 52.037 0.423 0.000 0.775 427 A CB 0.075 19.464 19.000 0.648 0.000 0.973 427 A HN 1.030 nan 8.150 nan 0.000 0.516 428 S N 2.337 118.122 115.700 0.141 0.000 2.441 428 S HA -0.235 4.235 4.470 -0.001 0.000 0.242 428 S C 1.084 175.663 174.600 -0.035 0.000 1.018 428 S CA 1.474 59.700 58.200 0.043 0.000 0.988 428 S CB -0.461 62.794 63.200 0.091 0.000 0.778 428 S HN 0.991 nan 8.310 nan 0.000 0.498 429 N N 0.523 119.149 118.700 -0.122 0.000 2.279 429 N HA 0.199 4.938 4.740 -0.001 0.000 0.226 429 N C -0.154 175.254 175.510 -0.170 0.000 1.126 429 N CA -0.475 52.436 53.050 -0.232 0.000 0.846 429 N CB -0.499 37.677 38.487 -0.519 0.000 1.050 429 N HN 0.322 nan 8.380 nan 0.000 0.502 430 L N 1.323 122.506 121.223 -0.067 0.000 2.483 430 L HA 0.016 4.355 4.340 -0.001 0.000 0.275 430 L C 1.420 178.257 176.870 -0.054 0.000 1.220 430 L CA 0.187 55.008 54.840 -0.032 0.000 0.833 430 L CB 1.193 43.249 42.059 -0.004 0.000 1.102 430 L HN 0.175 nan 8.230 nan 0.000 0.490 431 V N -1.182 118.682 119.914 -0.083 0.000 3.661 431 V HA 0.209 4.329 4.120 -0.001 0.000 0.271 431 V C 0.470 176.576 176.094 0.020 0.000 1.315 431 V CA -0.593 61.657 62.300 -0.085 0.000 1.072 431 V CB -1.044 30.648 31.823 -0.219 0.000 0.830 431 V HN 0.618 nan 8.190 nan 0.000 0.443 432 W N 1.206 122.518 121.300 0.019 0.000 2.183 432 W HA 0.523 5.182 4.660 -0.001 0.000 0.348 432 W C -2.058 174.383 176.519 -0.130 0.000 1.257 432 W CA -2.061 55.282 57.345 -0.003 0.000 1.324 432 W CB -0.191 29.176 29.460 -0.156 0.000 1.144 432 W HN -0.039 nan 8.180 nan 0.000 0.622 433 P HA -0.086 nan 4.420 nan 0.000 0.266 433 P C 0.331 177.535 177.300 -0.160 0.000 1.195 433 P CA 0.298 63.369 63.100 -0.049 0.000 0.768 433 P CB 0.741 32.362 31.700 -0.130 0.000 0.838 434 E N 2.528 122.725 120.200 -0.004 0.000 2.204 434 E HA -0.165 4.185 4.350 -0.001 0.000 0.195 434 E C 1.370 177.988 176.600 0.031 0.000 0.990 434 E CA 1.250 57.660 56.400 0.016 0.000 0.821 434 E CB -0.318 29.429 29.700 0.078 0.000 0.750 434 E HN 0.623 nan 8.360 nan 0.000 0.477 435 W N -0.466 120.880 121.300 0.077 0.000 2.425 435 W HA -0.116 4.543 4.660 -0.001 0.000 0.277 435 W C 1.321 177.900 176.519 0.099 0.000 1.231 435 W CA 0.499 57.898 57.345 0.089 0.000 1.248 435 W CB -0.873 28.648 29.460 0.101 0.000 1.117 435 W HN 0.065 nan 8.180 nan 0.000 0.568 436 M N 1.368 120.545 119.600 -0.705 0.000 2.374 436 M HA 0.076 4.555 4.480 -0.001 0.000 0.264 436 M C 1.777 177.958 176.300 -0.198 0.000 1.067 436 M CA 1.863 56.790 55.300 -0.622 0.000 1.103 436 M CB -0.992 31.108 32.600 -0.833 0.000 1.402 436 M HN 0.167 nan 8.290 nan 0.000 0.444 437 G N 0.437 109.163 108.800 -0.124 0.000 2.566 437 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.280 437 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.280 437 G C -0.208 174.673 174.900 -0.032 0.000 1.225 437 G CA -0.273 44.807 45.100 -0.034 0.000 0.966 437 G HN 0.212 nan 8.290 nan 0.000 0.560 438 V N 1.732 121.656 119.914 0.017 0.000 2.377 438 V HA 0.292 4.412 4.120 -0.001 0.000 0.254 438 V C 1.130 177.300 176.094 0.126 0.000 1.060 438 V CA 0.471 62.822 62.300 0.085 0.000 1.068 438 V CB -0.511 31.347 31.823 0.058 0.000 1.113 438 V HN 0.513 nan 8.190 nan 0.000 0.484 439 I N 3.779 124.419 120.570 0.117 0.000 2.575 439 I HA 0.165 4.334 4.170 -0.001 0.000 0.285 439 I C 0.855 177.151 176.117 0.298 0.000 1.085 439 I CA -0.480 60.902 61.300 0.136 0.000 1.403 439 I CB 0.339 38.298 38.000 -0.070 0.000 1.409 439 I HN 0.617 nan 8.210 nan 0.000 0.557 440 H N 5.111 124.244 119.070 0.105 0.000 3.145 440 H HA 0.242 4.797 4.556 -0.001 0.000 0.288 440 H C 0.974 176.243 175.328 -0.099 0.000 0.969 440 H CA 1.005 57.089 56.048 0.059 0.000 1.444 440 H CB 0.139 29.976 29.762 0.125 0.000 1.500 440 H HN 0.815 nan 8.280 nan 0.000 0.552 441 G N 3.643 112.247 108.800 -0.327 0.000 2.159 441 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.227 441 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.227 441 G C 0.222 174.985 174.900 -0.228 0.000 0.986 441 G CA 0.286 45.115 45.100 -0.453 0.000 0.651 441 G HN 0.644 nan 8.290 nan 0.000 0.523 442 Y N 0.899 121.261 120.300 0.103 0.000 2.524 442 Y HA 0.273 4.822 4.550 -0.001 0.000 0.266 442 Y C 2.133 178.154 175.900 0.202 0.000 1.180 442 Y CA 0.641 58.889 58.100 0.247 0.000 1.244 442 Y CB 0.585 39.224 38.460 0.298 0.000 1.125 442 Y HN 0.465 nan 8.280 nan 0.000 0.524 443 E N -0.133 120.052 120.200 -0.024 0.000 2.415 443 E HA -0.013 4.336 4.350 -0.001 0.000 0.197 443 E C 1.543 178.065 176.600 -0.130 0.000 1.007 443 E CA 0.500 56.603 56.400 -0.495 0.000 0.890 443 E CB -0.295 28.832 29.700 -0.955 0.000 0.891 443 E HN 0.511 nan 8.360 nan 0.000 0.496 444 I N 2.898 123.471 120.570 0.004 0.000 2.099 444 I HA -0.318 3.852 4.170 -0.001 0.000 0.239 444 I C 2.638 178.760 176.117 0.007 0.000 1.066 444 I CA 2.236 63.556 61.300 0.033 0.000 1.324 444 I CB -0.569 37.482 38.000 0.084 0.000 1.037 444 I HN 0.203 nan 8.210 nan 0.000 0.401 445 E N 0.810 120.984 120.200 -0.044 0.000 2.333 445 E HA -0.248 4.102 4.350 -0.001 0.000 0.200 445 E C 1.906 178.333 176.600 -0.288 0.000 1.010 445 E CA 1.536 57.835 56.400 -0.168 0.000 0.841 445 E CB -0.458 29.149 29.700 -0.156 0.000 0.757 445 E HN 0.482 nan 8.360 nan 0.000 0.508 446 F N 0.774 120.623 119.950 -0.168 0.000 2.188 446 F HA 0.006 4.532 4.527 -0.001 0.000 0.289 446 F C 2.410 178.052 175.800 -0.264 0.000 1.082 446 F CA 0.455 58.318 58.000 -0.228 0.000 1.282 446 F CB -0.213 38.674 39.000 -0.189 0.000 1.060 446 F HN -0.162 nan 8.300 nan 0.000 0.493 447 V N -0.582 119.268 119.914 -0.106 0.000 2.453 447 V HA -0.309 3.810 4.120 -0.001 0.000 0.252 447 V C 1.376 177.345 176.094 -0.208 0.000 1.068 447 V CA 1.694 63.810 62.300 -0.307 0.000 1.070 447 V CB -0.777 30.888 31.823 -0.263 0.000 0.664 447 V HN 0.256 nan 8.190 nan 0.000 0.461 448 F N 0.110 119.915 119.950 -0.242 0.000 2.660 448 F HA 0.426 4.953 4.527 -0.001 0.000 0.297 448 F C 1.724 177.414 175.800 -0.182 0.000 1.132 448 F CA 0.406 58.289 58.000 -0.194 0.000 1.372 448 F CB -0.091 38.764 39.000 -0.241 0.000 1.003 448 F HN 0.242 nan 8.300 nan 0.000 0.524 449 G N 0.621 109.339 108.800 -0.135 0.000 2.269 449 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.277 449 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.277 449 G C 1.132 175.734 174.900 -0.498 0.000 1.008 449 G CA 0.454 45.410 45.100 -0.240 0.000 0.774 449 G HN 0.380 nan 8.290 nan 0.000 0.511 450 L N 0.417 121.305 121.223 -0.558 0.000 2.043 450 L HA -0.002 4.337 4.340 -0.001 0.000 0.212 450 L C 0.584 177.016 176.870 -0.730 0.000 1.075 450 L CA 2.774 57.202 54.840 -0.687 0.000 0.752 450 L CB -1.040 40.729 42.059 -0.483 0.000 0.891 450 L HN 0.189 nan 8.230 nan 0.000 0.432 451 P HA -0.179 nan 4.420 nan 0.000 0.220 451 P C 1.745 178.816 177.300 -0.382 0.000 1.144 451 P CA 0.931 63.476 63.100 -0.924 0.000 0.800 451 P CB 0.069 31.243 31.700 -0.876 0.000 0.772 452 L N -0.828 120.168 121.223 -0.379 0.000 2.017 452 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 452 L C 1.327 178.087 176.870 -0.185 0.000 1.073 452 L CA 1.363 56.063 54.840 -0.233 0.000 0.745 452 L CB -1.412 40.519 42.059 -0.213 0.000 0.894 452 L HN -0.089 nan 8.230 nan 0.000 0.432 453 V N 0.182 119.928 119.914 -0.280 0.000 2.425 453 V HA -0.019 4.100 4.120 -0.001 0.000 0.276 453 V C 1.462 177.518 176.094 -0.063 0.000 1.017 453 V CA -0.399 61.815 62.300 -0.143 0.000 1.062 453 V CB 0.577 32.307 31.823 -0.155 0.000 0.997 453 V HN 0.320 nan 8.190 nan 0.000 0.476 454 K N 4.310 124.693 120.400 -0.028 0.000 2.211 454 K HA -0.102 4.217 4.320 -0.001 0.000 0.204 454 K C 1.684 178.281 176.600 -0.004 0.000 1.047 454 K CA 1.805 58.090 56.287 -0.004 0.000 0.935 454 K CB -0.174 32.324 32.500 -0.004 0.000 0.728 454 K HN 0.855 nan 8.250 nan 0.000 0.452 455 E N 0.174 120.366 120.200 -0.013 0.000 2.204 455 E HA -0.112 4.237 4.350 -0.001 0.000 0.195 455 E C 1.181 177.762 176.600 -0.033 0.000 0.990 455 E CA 0.832 57.220 56.400 -0.021 0.000 0.821 455 E CB -0.153 29.536 29.700 -0.018 0.000 0.750 455 E HN 0.284 nan 8.360 nan 0.000 0.477 456 L N 0.176 121.389 121.223 -0.017 0.000 2.591 456 L HA 0.135 4.474 4.340 -0.001 0.000 0.228 456 L C 0.080 176.889 176.870 -0.102 0.000 1.133 456 L CA -0.270 54.549 54.840 -0.035 0.000 0.880 456 L CB -0.677 41.419 42.059 0.062 0.000 1.033 456 L HN 0.115 nan 8.230 nan 0.000 0.450 457 N N 1.041 119.722 118.700 -0.031 0.000 2.650 457 N HA -0.236 4.503 4.740 -0.001 0.000 0.300 457 N C -1.033 174.413 175.510 -0.107 0.000 1.197 457 N CA 0.517 53.542 53.050 -0.040 0.000 0.746 457 N CB -0.329 38.122 38.487 -0.060 0.000 0.976 457 N HN 0.265 nan 8.380 nan 0.000 0.558 458 Y N -0.218 120.051 120.300 -0.052 0.000 2.528 458 Y HA 0.259 4.809 4.550 -0.001 0.000 0.335 458 Y C 1.050 176.957 175.900 0.010 0.000 1.093 458 Y CA -0.819 57.270 58.100 -0.020 0.000 1.134 458 Y CB 1.266 39.689 38.460 -0.061 0.000 1.253 458 Y HN 0.218 nan 8.280 nan 0.000 0.478 459 T N -1.170 113.510 114.554 0.209 0.000 2.930 459 T HA 0.239 4.588 4.350 -0.001 0.000 0.306 459 T C 1.256 176.036 174.700 0.133 0.000 1.045 459 T CA -0.143 62.041 62.100 0.140 0.000 1.134 459 T CB 1.295 70.246 68.868 0.139 0.000 0.961 459 T HN 0.863 nan 8.240 nan 0.000 0.545 460 A N 2.266 125.136 122.820 0.083 0.000 1.940 460 A HA -0.179 4.140 4.320 -0.001 0.000 0.221 460 A C 2.389 180.009 177.584 0.061 0.000 1.190 460 A CA 2.194 54.266 52.037 0.058 0.000 0.647 460 A CB -1.357 17.667 19.000 0.039 0.000 0.821 460 A HN 0.908 nan 8.150 nan 0.000 0.457 461 E N -0.493 119.752 120.200 0.075 0.000 2.171 461 E HA -0.219 4.131 4.350 -0.001 0.000 0.197 461 E C 1.868 178.513 176.600 0.074 0.000 0.997 461 E CA 1.513 57.953 56.400 0.067 0.000 0.810 461 E CB -0.481 29.266 29.700 0.079 0.000 0.738 461 E HN 0.908 nan 8.360 nan 0.000 0.467 462 E N -0.277 120.010 120.200 0.145 0.000 2.158 462 E HA -0.100 4.249 4.350 -0.001 0.000 0.191 462 E C 2.331 179.011 176.600 0.133 0.000 0.982 462 E CA 0.762 57.298 56.400 0.227 0.000 0.823 462 E CB -0.088 29.885 29.700 0.456 0.000 0.766 462 E HN 0.449 nan 8.360 nan 0.000 0.468 463 E N 1.173 121.397 120.200 0.039 0.000 2.085 463 E HA -0.243 4.107 4.350 -0.001 0.000 0.194 463 E C 2.002 178.591 176.600 -0.020 0.000 0.994 463 E CA 1.035 57.409 56.400 -0.043 0.000 0.801 463 E CB -0.030 29.650 29.700 -0.033 0.000 0.743 463 E HN 0.205 nan 8.360 nan 0.000 0.453 464 A N 1.429 124.249 122.820 0.001 0.000 1.841 464 A HA -0.214 4.105 4.320 -0.001 0.000 0.216 464 A C 2.203 179.773 177.584 -0.024 0.000 1.199 464 A CA 1.608 53.634 52.037 -0.018 0.000 0.621 464 A CB -1.007 17.985 19.000 -0.013 0.000 0.835 464 A HN 0.395 nan 8.150 nan 0.000 0.445 465 L N 0.035 121.251 121.223 -0.011 0.000 2.051 465 L HA -0.185 4.154 4.340 -0.001 0.000 0.214 465 L C 2.623 179.513 176.870 0.033 0.000 1.076 465 L CA 2.673 57.491 54.840 -0.038 0.000 0.758 465 L CB -0.793 41.169 42.059 -0.161 0.000 0.890 465 L HN 0.416 nan 8.230 nan 0.000 0.433 466 S N -0.659 115.122 115.700 0.135 0.000 2.354 466 S HA -0.246 4.223 4.470 -0.001 0.000 0.219 466 S C 2.152 176.735 174.600 -0.028 0.000 1.035 466 S CA 1.641 59.897 58.200 0.094 0.000 1.037 466 S CB -0.252 62.905 63.200 -0.071 0.000 0.956 466 S HN 0.551 nan 8.310 nan 0.000 0.428 467 R N 0.366 120.840 120.500 -0.044 0.000 2.117 467 R HA -0.047 4.292 4.340 -0.001 0.000 0.243 467 R C 2.746 179.006 176.300 -0.068 0.000 1.143 467 R CA 1.547 57.618 56.100 -0.048 0.000 0.968 467 R CB -0.312 29.956 30.300 -0.053 0.000 0.863 467 R HN 0.410 nan 8.270 nan 0.000 0.444 468 R N 0.380 120.810 120.500 -0.117 0.000 2.066 468 R HA -0.053 4.286 4.340 -0.001 0.000 0.232 468 R C 2.339 178.484 176.300 -0.259 0.000 1.131 468 R CA 1.326 57.269 56.100 -0.261 0.000 0.955 468 R CB -0.245 29.901 30.300 -0.257 0.000 0.851 468 R HN 0.228 nan 8.270 nan 0.000 0.432 469 I N 0.499 121.014 120.570 -0.092 0.000 2.179 469 I HA -0.301 3.869 4.170 -0.001 0.000 0.242 469 I C 2.413 178.480 176.117 -0.084 0.000 1.088 469 I CA 1.410 62.658 61.300 -0.086 0.000 1.357 469 I CB -0.225 37.579 38.000 -0.326 0.000 1.051 469 I HN 0.219 nan 8.210 nan 0.000 0.409 470 M N -0.556 118.989 119.600 -0.090 0.000 2.213 470 M HA -0.237 4.243 4.480 -0.001 0.000 0.263 470 M C 2.367 178.763 176.300 0.160 0.000 1.062 470 M CA 1.701 56.995 55.300 -0.010 0.000 1.105 470 M CB -0.692 31.889 32.600 -0.031 0.000 1.385 470 M HN 0.269 nan 8.290 nan 0.000 0.417 471 H N -0.426 118.672 119.070 0.048 0.000 2.363 471 H HA -0.089 4.467 4.556 -0.001 0.000 0.301 471 H C 1.667 177.142 175.328 0.244 0.000 1.074 471 H CA 1.848 57.939 56.048 0.072 0.000 1.354 471 H CB -0.147 29.592 29.762 -0.039 0.000 1.397 471 H HN 0.380 nan 8.280 nan 0.000 0.516 472 Y N -1.126 119.395 120.300 0.368 0.000 2.165 472 Y HA -0.341 4.209 4.550 -0.001 0.000 0.286 472 Y C 2.438 178.595 175.900 0.428 0.000 1.155 472 Y CA 0.629 59.011 58.100 0.470 0.000 1.164 472 Y CB -0.210 38.762 38.460 0.852 0.000 0.978 472 Y HN 0.361 nan 8.280 nan 0.000 0.513 473 W N -0.418 120.999 121.300 0.195 0.000 2.380 473 W HA -0.239 4.421 4.660 -0.001 0.000 0.317 473 W C 2.704 179.240 176.519 0.028 0.000 1.196 473 W CA 0.790 58.183 57.345 0.080 0.000 1.307 473 W CB -0.605 28.881 29.460 0.043 0.000 1.157 473 W HN 0.059 nan 8.180 nan 0.000 0.483 474 A N 0.662 123.600 122.820 0.197 0.000 1.851 474 A HA -0.239 4.081 4.320 -0.001 0.000 0.216 474 A C 1.782 179.330 177.584 -0.060 0.000 1.195 474 A CA 2.898 54.943 52.037 0.013 0.000 0.622 474 A CB -1.498 17.488 19.000 -0.024 0.000 0.831 474 A HN 0.259 nan 8.150 nan 0.000 0.444 475 T N -0.817 113.635 114.554 -0.170 0.000 2.760 475 T HA -0.206 4.144 4.350 -0.001 0.000 0.269 475 T C 1.551 176.188 174.700 -0.104 0.000 1.047 475 T CA 1.795 63.773 62.100 -0.204 0.000 1.139 475 T CB -0.427 68.259 68.868 -0.303 0.000 0.855 475 T HN 0.500 nan 8.240 nan 0.000 0.471 476 F N 1.807 121.643 119.950 -0.190 0.000 2.163 476 F HA 0.171 4.697 4.527 -0.001 0.000 0.297 476 F C 2.416 178.107 175.800 -0.181 0.000 1.094 476 F CA 0.799 58.649 58.000 -0.249 0.000 1.290 476 F CB -0.561 38.220 39.000 -0.365 0.000 1.017 476 F HN 0.129 nan 8.300 nan 0.000 0.483 477 A N 0.627 123.391 122.820 -0.092 0.000 1.933 477 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 477 A C 2.163 179.624 177.584 -0.205 0.000 1.175 477 A CA 1.899 53.845 52.037 -0.152 0.000 0.628 477 A CB -0.577 18.374 19.000 -0.082 0.000 0.814 477 A HN 0.492 nan 8.150 nan 0.000 0.444 478 K N -0.822 119.475 120.400 -0.171 0.000 1.974 478 K HA -0.068 4.251 4.320 -0.001 0.000 0.211 478 K C 2.321 178.812 176.600 -0.182 0.000 1.039 478 K CA 1.756 57.957 56.287 -0.144 0.000 0.947 478 K CB -0.717 31.718 32.500 -0.108 0.000 0.735 478 K HN 0.576 nan 8.250 nan 0.000 0.441 479 T N -2.143 112.297 114.554 -0.191 0.000 2.951 479 T HA 0.071 4.420 4.350 -0.001 0.000 0.268 479 T C 1.523 176.062 174.700 -0.268 0.000 1.073 479 T CA 0.994 62.984 62.100 -0.183 0.000 1.134 479 T CB -0.068 68.724 68.868 -0.126 0.000 0.884 479 T HN 0.520 nan 8.240 nan 0.000 0.479 480 G N 1.158 109.654 108.800 -0.506 0.000 2.157 480 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.239 480 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.239 480 G C -0.136 174.487 174.900 -0.462 0.000 0.982 480 G CA 0.063 44.732 45.100 -0.719 0.000 0.650 480 G HN 0.853 nan 8.290 nan 0.000 0.527 481 N N -0.003 118.497 118.700 -0.333 0.000 2.310 481 N HA 0.436 5.176 4.740 -0.001 0.000 0.292 481 N C -1.774 173.557 175.510 -0.297 0.000 1.049 481 N CA -1.386 51.472 53.050 -0.319 0.000 0.849 481 N CB 2.727 41.148 38.487 -0.111 0.000 1.532 481 N HN -0.053 nan 8.380 nan 0.000 0.479 482 P HA -0.028 nan 4.420 nan 0.000 0.223 482 P C -0.524 176.834 177.300 0.096 0.000 1.151 482 P CA 0.706 63.668 63.100 -0.231 0.000 0.787 482 P CB 0.461 31.716 31.700 -0.741 0.000 0.788 483 N N 0.121 118.838 118.700 0.029 0.000 2.518 483 N HA 0.214 4.954 4.740 -0.001 0.000 0.283 483 N C 0.257 175.835 175.510 0.115 0.000 1.119 483 N CA -0.475 52.681 53.050 0.176 0.000 0.983 483 N CB 0.848 39.443 38.487 0.181 0.000 1.139 483 N HN 0.039 nan 8.380 nan 0.000 0.465 491 K N 1.908 122.420 120.400 0.187 0.000 2.412 491 K HA 0.256 4.575 4.320 -0.001 0.000 0.281 491 K C -1.023 175.769 176.600 0.320 0.000 1.027 491 K CA -0.177 56.254 56.287 0.241 0.000 0.989 491 K CB 0.230 32.843 32.500 0.188 0.000 0.935 491 K HN 0.498 nan 8.250 nan 0.000 0.475 492 W N 8.486 129.878 121.300 0.154 0.000 2.433 492 W HA 0.269 4.928 4.660 -0.001 0.000 0.331 492 W C -2.346 174.318 176.519 0.242 0.000 1.110 492 W CA -3.093 54.334 57.345 0.136 0.000 1.450 492 W CB -0.464 28.995 29.460 -0.003 0.000 1.348 492 W HN 0.522 nan 8.180 nan 0.000 0.415 493 P HA -0.104 nan 4.420 nan 0.000 0.266 493 P C 0.124 177.638 177.300 0.356 0.000 1.186 493 P CA 0.356 63.682 63.100 0.377 0.000 0.767 493 P CB 0.682 32.537 31.700 0.259 0.000 0.820 494 L N 3.029 124.323 121.223 0.117 0.000 2.418 494 L HA 0.375 4.715 4.340 -0.001 0.000 0.265 494 L C -0.007 176.866 176.870 0.006 0.000 1.143 494 L CA -0.656 54.076 54.840 -0.179 0.000 0.809 494 L CB 0.215 42.158 42.059 -0.193 0.000 1.124 494 L HN 0.233 nan 8.230 nan 0.000 0.456 495 F N 2.658 122.520 119.950 -0.148 0.000 2.411 495 F HA 0.393 4.920 4.527 -0.001 0.000 0.355 495 F C 0.036 175.817 175.800 -0.033 0.000 1.117 495 F CA -0.411 57.587 58.000 -0.005 0.000 1.139 495 F CB 1.046 40.072 39.000 0.043 0.000 1.120 495 F HN 0.444 nan 8.300 nan 0.000 0.493 496 T N 0.867 115.040 114.554 -0.636 0.000 2.861 496 T HA 0.239 4.588 4.350 -0.001 0.000 0.287 496 T C 0.932 175.242 174.700 -0.651 0.000 1.003 496 T CA -0.111 61.711 62.100 -0.463 0.000 0.977 496 T CB 1.320 70.039 68.868 -0.248 0.000 0.996 496 T HN 0.644 nan 8.240 nan 0.000 0.448 497 T N -0.219 114.093 114.554 -0.403 0.000 2.822 497 T HA -0.104 4.245 4.350 -0.001 0.000 0.270 497 T C 2.218 176.794 174.700 -0.205 0.000 1.064 497 T CA 1.650 63.587 62.100 -0.272 0.000 1.131 497 T CB -0.831 67.959 68.868 -0.130 0.000 0.858 497 T HN 0.909 nan 8.240 nan 0.000 0.483 498 K N 1.686 121.974 120.400 -0.187 0.000 1.991 498 K HA 0.001 4.320 4.320 -0.001 0.000 0.207 498 K C 2.398 178.929 176.600 -0.114 0.000 1.045 498 K CA 1.584 57.799 56.287 -0.120 0.000 0.937 498 K CB -1.095 nan 32.500 nan 0.000 0.720 498 K HN 0.562 nan 8.250 nan 0.000 0.438 499 E N -0.472 119.640 120.200 -0.147 0.000 2.216 499 E HA 0.025 4.375 4.350 -0.001 0.000 0.192 499 E C 0.131 176.664 176.600 -0.110 0.000 0.973 499 E CA 0.344 56.684 56.400 -0.101 0.000 0.851 499 E CB 0.270 29.925 29.700 -0.075 0.000 0.804 499 E HN 0.652 nan 8.360 nan 0.000 0.477 500 Q N -0.383 119.235 119.800 -0.303 0.000 2.478 500 Q HA -0.197 4.142 4.340 -0.001 0.000 0.286 500 Q C -0.515 175.597 176.000 0.186 0.000 1.299 500 Q CA 0.511 56.121 55.803 -0.322 0.000 0.826 500 Q CB -1.623 27.123 28.738 0.013 0.000 1.199 500 Q HN 0.381 nan 8.270 nan 0.000 0.451 501 K N 0.618 121.091 120.400 0.121 0.000 2.295 501 K HA 0.487 4.806 4.320 -0.001 0.000 0.270 501 K C 0.090 176.993 176.600 0.505 0.000 1.011 501 K CA 0.440 56.853 56.287 0.211 0.000 0.953 501 K CB 0.356 32.919 32.500 0.104 0.000 0.956 501 K HN 0.238 nan 8.250 nan 0.000 0.477 502 F N -0.024 120.106 119.950 0.299 0.000 2.741 502 F HA 0.602 5.129 4.527 -0.001 0.000 0.313 502 F C -1.209 174.689 175.800 0.164 0.000 1.153 502 F CA -1.480 56.715 58.000 0.326 0.000 0.931 502 F CB 0.864 40.045 39.000 0.302 0.000 1.335 502 F HN 0.417 nan 8.300 nan 0.000 0.460 503 I N -0.701 120.021 120.570 0.253 0.000 2.892 503 I HA 0.643 4.812 4.170 -0.001 0.000 0.306 503 I C -1.270 175.009 176.117 0.271 0.000 1.078 503 I CA -0.897 60.370 61.300 -0.055 0.000 1.032 503 I CB 2.024 39.796 38.000 -0.380 0.000 1.229 503 I HN 0.436 nan 8.210 nan 0.000 0.435 504 D N 3.331 123.869 120.400 0.229 0.000 2.302 504 D HA 0.376 5.016 4.640 -0.001 0.000 0.248 504 D C -0.713 175.671 176.300 0.140 0.000 1.094 504 D CA 0.169 54.382 54.000 0.354 0.000 0.897 504 D CB 1.924 42.949 40.800 0.376 0.000 1.200 504 D HN 0.340 nan 8.370 nan 0.000 0.429 505 L N 3.835 125.141 121.223 0.138 0.000 2.504 505 L HA 0.261 4.600 4.340 -0.001 0.000 0.249 505 L C -0.712 176.045 176.870 -0.188 0.000 1.120 505 L CA -0.454 54.428 54.840 0.071 0.000 0.997 505 L CB -0.636 41.619 42.059 0.327 0.000 1.349 505 L HN 0.371 nan 8.230 nan 0.000 0.439 506 N N -1.383 117.220 118.700 -0.161 0.000 2.831 506 N HA 0.365 5.104 4.740 -0.001 0.000 0.276 506 N C 0.471 175.870 175.510 -0.186 0.000 1.416 506 N CA -0.487 52.404 53.050 -0.265 0.000 0.799 506 N CB 0.461 38.867 38.487 -0.134 0.000 1.554 506 N HN -0.085 nan 8.380 nan 0.000 0.541 507 T N -1.636 112.805 114.554 -0.189 0.000 3.051 507 T HA 0.085 4.434 4.350 -0.001 0.000 0.269 507 T C 0.778 175.465 174.700 -0.021 0.000 1.127 507 T CA 1.639 63.676 62.100 -0.105 0.000 1.107 507 T CB -0.790 68.049 68.868 -0.048 0.000 0.898 507 T HN 0.735 nan 8.240 nan 0.000 0.517 508 E N 2.103 122.303 120.200 -0.000 0.000 2.345 508 E HA 0.348 4.698 4.350 -0.001 0.000 0.259 508 E C -2.749 173.864 176.600 0.021 0.000 1.117 508 E CA -2.416 53.998 56.400 0.024 0.000 0.913 508 E CB -0.778 nan 29.700 nan 0.000 1.057 508 E HN 0.129 nan 8.360 nan 0.000 0.432 509 P HA -0.032 nan 4.420 nan 0.000 0.257 509 P C 0.206 177.521 177.300 0.026 0.000 1.189 509 P CA 0.144 63.260 63.100 0.027 0.000 0.780 509 P CB 0.129 31.845 31.700 0.027 0.000 0.772 510 M N 2.747 122.365 119.600 0.030 0.000 2.736 510 M HA -0.071 4.408 4.480 -0.001 0.000 0.396 510 M C 0.323 176.602 176.300 -0.036 0.000 1.788 510 M CA 0.857 56.165 55.300 0.014 0.000 1.138 510 M CB -0.629 32.004 32.600 0.056 0.000 2.138 510 M HN 0.186 nan 8.290 nan 0.000 0.479 511 K N 4.508 124.861 120.400 -0.078 0.000 2.087 511 K HA 0.667 4.987 4.320 -0.001 0.000 0.255 511 K C -0.938 175.373 176.600 -0.483 0.000 0.988 511 K CA -0.655 55.507 56.287 -0.208 0.000 0.915 511 K CB 1.333 33.751 32.500 -0.138 0.000 1.043 511 K HN 0.615 nan 8.250 nan 0.000 0.457 512 V N 3.295 122.879 119.914 -0.550 0.000 2.459 512 V HA 0.464 4.583 4.120 -0.001 0.000 0.295 512 V C -0.567 175.005 176.094 -0.871 0.000 1.029 512 V CA -0.776 61.163 62.300 -0.601 0.000 0.874 512 V CB 1.152 32.821 31.823 -0.256 0.000 0.985 512 V HN 0.984 nan 8.190 nan 0.000 0.438 513 H N 3.126 121.826 119.070 -0.617 0.000 2.864 513 H HA 0.665 5.221 4.556 -0.001 0.000 0.354 513 H C -1.054 173.924 175.328 -0.584 0.000 1.208 513 H CA -0.905 54.741 56.048 -0.670 0.000 1.191 513 H CB 2.081 31.287 29.762 -0.926 0.000 1.889 513 H HN 0.565 nan 8.280 nan 0.000 0.574 514 Q N 0.546 120.344 119.800 -0.004 0.000 2.347 514 Q HA 0.419 4.759 4.340 -0.001 0.000 0.271 514 Q C -0.722 175.516 176.000 0.395 0.000 1.064 514 Q CA -0.896 55.037 55.803 0.216 0.000 0.800 514 Q CB 2.863 31.666 28.738 0.109 0.000 1.304 514 Q HN 0.501 nan 8.270 nan 0.000 0.438 515 R N 1.050 121.832 120.500 0.471 0.000 2.855 515 R HA -0.171 4.169 4.340 -0.001 0.000 0.288 515 R C -0.598 175.857 176.300 0.259 0.000 0.942 515 R CA -0.110 56.190 56.100 0.332 0.000 0.705 515 R CB -1.542 28.882 30.300 0.207 0.000 1.791 515 R HN 0.641 nan 8.270 nan 0.000 0.478 516 L N 3.054 124.324 121.223 0.078 0.000 2.559 516 L HA -0.024 4.315 4.340 -0.001 0.000 0.282 516 L C 0.980 177.798 176.870 -0.086 0.000 1.232 516 L CA 0.261 54.928 54.840 -0.289 0.000 0.885 516 L CB 0.251 41.942 42.059 -0.613 0.000 1.131 516 L HN 0.482 nan 8.230 nan 0.000 0.498 517 R N 2.813 123.257 120.500 -0.094 0.000 2.333 517 R HA -0.207 4.132 4.340 -0.001 0.000 0.213 517 R C 0.796 177.156 176.300 0.100 0.000 0.711 517 R CA 0.621 56.739 56.100 0.030 0.000 0.476 517 R CB -1.967 28.380 30.300 0.078 0.000 1.300 517 R HN 0.665 nan 8.270 nan 0.000 0.536 518 V N 0.988 120.962 119.914 0.098 0.000 2.270 518 V HA -0.324 3.795 4.120 -0.001 0.000 0.245 518 V C 2.045 178.217 176.094 0.129 0.000 1.043 518 V CA 2.212 64.585 62.300 0.122 0.000 1.014 518 V CB 0.045 31.938 31.823 0.117 0.000 0.645 518 V HN 0.531 nan 8.190 nan 0.000 0.447 519 Q N -0.477 119.381 119.800 0.097 0.000 2.096 519 Q HA -0.247 4.092 4.340 -0.001 0.000 0.208 519 Q C 2.192 178.263 176.000 0.117 0.000 0.993 519 Q CA 2.549 58.397 55.803 0.074 0.000 0.862 519 Q CB -0.512 28.239 28.738 0.022 0.000 0.915 519 Q HN 0.500 nan 8.270 nan 0.000 0.416 520 M N -0.479 119.217 119.600 0.160 0.000 2.062 520 M HA -0.148 4.331 4.480 -0.001 0.000 0.259 520 M C 2.373 178.959 176.300 0.477 0.000 1.076 520 M CA 1.179 56.657 55.300 0.297 0.000 1.122 520 M CB -1.433 31.413 32.600 0.410 0.000 1.312 520 M HN 0.313 nan 8.290 nan 0.000 0.412 521 c N 0.152 119.010 118.600 0.430 0.000 2.401 521 c HA -0.092 4.478 4.570 -0.001 0.000 0.286 521 c C 3.009 177.282 174.090 0.305 0.000 1.332 521 c CA 0.484 57.055 56.329 0.402 0.000 1.795 521 c CB -1.148 41.520 42.510 0.263 0.000 1.922 521 c HN 0.371 nan 8.230 nan 0.000 0.520 522 V N 0.432 120.495 119.914 0.248 0.000 2.358 522 V HA -0.200 3.919 4.120 -0.001 0.000 0.246 522 V C 2.014 178.236 176.094 0.213 0.000 1.047 522 V CA 2.255 64.672 62.300 0.196 0.000 1.035 522 V CB -0.803 31.111 31.823 0.152 0.000 0.658 522 V HN 0.599 nan 8.190 nan 0.000 0.452 523 F N -0.257 119.756 119.950 0.105 0.000 2.146 523 F HA -0.152 4.375 4.527 -0.001 0.000 0.298 523 F C 1.999 177.852 175.800 0.088 0.000 1.096 523 F CA 1.374 59.419 58.000 0.076 0.000 1.275 523 F CB -0.464 38.475 39.000 -0.101 0.000 1.008 523 F HN 0.142 nan 8.300 nan 0.000 0.480 524 W N 1.040 122.249 121.300 -0.152 0.000 2.378 524 W HA -0.157 4.502 4.660 -0.001 0.000 0.313 524 W C 2.267 178.674 176.519 -0.186 0.000 1.197 524 W CA 1.069 58.259 57.345 -0.258 0.000 1.304 524 W CB -0.461 29.049 29.460 0.082 0.000 1.148 524 W HN -0.046 nan 8.180 nan 0.000 0.494 525 N N -0.704 118.100 118.700 0.172 0.000 2.416 525 N HA -0.081 4.658 4.740 -0.001 0.000 0.177 525 N C 1.489 177.000 175.510 0.003 0.000 1.036 525 N CA 1.035 54.100 53.050 0.025 0.000 0.901 525 N CB -0.267 38.245 38.487 0.043 0.000 0.976 525 N HN 0.194 nan 8.380 nan 0.000 0.444 526 Q N -0.708 119.124 119.800 0.054 0.000 2.606 526 Q HA 0.215 4.554 4.340 -0.001 0.000 0.215 526 Q C 1.584 177.634 176.000 0.083 0.000 0.908 526 Q CA -0.173 55.675 55.803 0.075 0.000 0.908 526 Q CB -0.546 28.265 28.738 0.122 0.000 1.120 526 Q HN 0.410 nan 8.270 nan 0.000 0.628 527 F N 1.409 121.316 119.950 -0.073 0.000 2.053 527 F HA 0.070 4.597 4.527 -0.001 0.000 0.292 527 F C 2.055 177.759 175.800 -0.160 0.000 1.125 527 F CA 1.103 59.059 58.000 -0.073 0.000 1.193 527 F CB -0.644 38.373 39.000 0.029 0.000 0.996 527 F HN 0.159 nan 8.300 nan 0.000 0.470 528 L N 1.740 122.640 121.223 -0.539 0.000 1.991 528 L HA -0.222 4.117 4.340 -0.001 0.000 0.221 528 L C -0.433 176.223 176.870 -0.357 0.000 1.079 528 L CA 2.897 57.362 54.840 -0.625 0.000 0.778 528 L CB -2.171 39.378 42.059 -0.850 0.000 0.893 528 L HN 0.152 nan 8.230 nan 0.000 0.437 529 P HA -0.203 nan 4.420 nan 0.000 0.218 529 P C 1.404 178.612 177.300 -0.154 0.000 1.149 529 P CA 1.526 64.546 63.100 -0.134 0.000 0.817 529 P CB -0.157 31.483 31.700 -0.100 0.000 0.785 530 K N -0.136 120.153 120.400 -0.183 0.000 2.097 530 K HA -0.074 4.245 4.320 -0.001 0.000 0.205 530 K C 2.327 178.796 176.600 -0.219 0.000 1.050 530 K CA 0.618 56.815 56.287 -0.150 0.000 0.938 530 K CB -0.559 31.890 32.500 -0.085 0.000 0.718 530 K HN 0.059 nan 8.250 nan 0.000 0.442 531 L N 1.142 122.113 121.223 -0.421 0.000 1.976 531 L HA -0.207 4.132 4.340 -0.001 0.000 0.209 531 L C 2.211 178.953 176.870 -0.213 0.000 1.071 531 L CA 1.321 55.908 54.840 -0.422 0.000 0.746 531 L CB -0.312 41.331 42.059 -0.694 0.000 0.890 531 L HN 0.261 nan 8.230 nan 0.000 0.432 532 L N 0.422 121.535 121.223 -0.183 0.000 2.089 532 L HA -0.285 4.054 4.340 -0.001 0.000 0.213 532 L C 2.821 179.650 176.870 -0.068 0.000 1.079 532 L CA 1.870 56.657 54.840 -0.089 0.000 0.758 532 L CB -1.438 40.597 42.059 -0.040 0.000 0.891 532 L HN 0.566 nan 8.230 nan 0.000 0.433 533 N N -0.128 118.525 118.700 -0.079 0.000 2.216 533 N HA -0.026 4.714 4.740 -0.001 0.000 0.183 533 N C 2.013 177.496 175.510 -0.046 0.000 1.017 533 N CA 1.361 54.377 53.050 -0.056 0.000 0.861 533 N CB -0.518 37.937 38.487 -0.054 0.000 0.986 533 N HN 0.428 nan 8.380 nan 0.000 0.428 534 A N 0.461 123.246 122.820 -0.057 0.000 1.855 534 A HA 0.130 4.450 4.320 -0.001 0.000 0.215 534 A C 2.002 179.567 177.584 -0.032 0.000 1.191 534 A CA 1.955 53.968 52.037 -0.039 0.000 0.613 534 A CB -1.142 17.834 19.000 -0.041 0.000 0.829 534 A HN 0.724 nan 8.150 nan 0.000 0.442 535 T N 0.000 114.529 114.554 -0.041 0.000 3.816 535 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.083 62.100 -0.028 0.000 1.349 535 T CB 0.000 68.850 68.868 -0.030 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658