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 2c5g_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 EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN ATA 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 0.000 174.649 174.600 0.082 0.000 1.055 4 S CA 0.000 58.233 58.200 0.054 0.000 1.107 4 S CB 0.000 63.231 63.200 0.052 0.000 0.593 5 E N 2.294 122.545 120.200 0.085 0.000 2.204 5 E HA -0.047 4.303 4.350 -0.001 0.000 0.195 5 E C 1.092 177.810 176.600 0.197 0.000 0.990 5 E CA 1.216 57.691 56.400 0.125 0.000 0.821 5 E CB -0.059 29.702 29.700 0.101 0.000 0.750 5 E HN 0.708 nan 8.360 nan 0.000 0.477 6 L N 0.900 122.207 121.223 0.141 0.000 2.592 6 L HA 0.150 4.489 4.340 -0.001 0.000 0.227 6 L C 0.525 177.566 176.870 0.285 0.000 1.127 6 L CA -0.264 54.654 54.840 0.130 0.000 0.884 6 L CB 0.343 42.391 42.059 -0.019 0.000 1.065 6 L HN 0.192 nan 8.230 nan 0.000 0.457 7 L N 1.437 122.802 121.223 0.236 0.000 2.287 7 L HA 0.529 4.869 4.340 -0.001 0.000 0.287 7 L C -0.892 176.064 176.870 0.144 0.000 1.022 7 L CA -0.151 54.814 54.840 0.209 0.000 0.814 7 L CB 1.727 43.857 42.059 0.118 0.000 1.217 7 L HN -0.288 nan 8.230 nan 0.000 0.420 8 V N 4.822 124.795 119.914 0.097 0.000 2.638 8 V HA 0.378 4.498 4.120 -0.001 0.000 0.306 8 V C -0.345 175.652 176.094 -0.161 0.000 1.052 8 V CA -0.904 61.292 62.300 -0.174 0.000 0.885 8 V CB 2.190 33.615 31.823 -0.662 0.000 0.999 8 V HN 0.795 nan 8.190 nan 0.000 0.424 9 N N 2.914 121.463 118.700 -0.251 0.000 2.437 9 N HA 0.557 5.296 4.740 -0.001 0.000 0.259 9 N C -0.144 175.035 175.510 -0.552 0.000 0.983 9 N CA -0.087 52.791 53.050 -0.288 0.000 0.937 9 N CB 1.481 39.803 38.487 -0.274 0.000 1.122 9 N HN 0.916 nan 8.380 nan 0.000 0.499 10 T N 0.087 114.415 114.554 -0.376 0.000 2.937 10 T HA 0.380 4.730 4.350 -0.001 0.000 0.283 10 T C 0.971 175.424 174.700 -0.413 0.000 1.012 10 T CA -0.591 61.264 62.100 -0.409 0.000 0.997 10 T CB 1.101 69.992 68.868 0.039 0.000 1.136 10 T HN 0.389 nan 8.240 nan 0.000 0.551 11 K N 0.187 120.399 120.400 -0.313 0.000 2.362 11 K HA 0.035 4.355 4.320 -0.001 0.000 0.200 11 K C 1.928 178.382 176.600 -0.244 0.000 1.046 11 K CA 0.825 56.970 56.287 -0.236 0.000 0.952 11 K CB -0.051 32.373 32.500 -0.127 0.000 0.753 11 K HN 0.441 nan 8.250 nan 0.000 0.466 12 S N -0.281 115.254 115.700 -0.275 0.000 2.517 12 S HA 0.191 4.661 4.470 -0.001 0.000 0.214 12 S C 0.532 174.429 174.600 -1.172 0.000 0.991 12 S CA 0.240 58.144 58.200 -0.493 0.000 0.906 12 S CB 0.962 64.038 63.200 -0.206 0.000 0.789 12 S HN 0.543 nan 8.310 nan 0.000 0.513 13 G N 1.143 109.448 108.800 -0.825 0.000 2.359 13 G HA2 0.101 4.061 3.960 -0.001 0.000 0.303 13 G HA3 0.101 4.061 3.960 -0.001 0.000 0.303 13 G C -1.821 172.985 174.900 -0.157 0.000 1.293 13 G CA -1.187 43.436 45.100 -0.794 0.000 0.964 13 G HN 0.119 nan 8.290 nan 0.000 0.531 14 K N -0.659 119.839 120.400 0.163 0.000 2.185 14 K HA 0.646 4.966 4.320 -0.001 0.000 0.271 14 K C -0.363 176.590 176.600 0.589 0.000 1.013 14 K CA -0.566 55.899 56.287 0.296 0.000 0.943 14 K CB 1.890 34.516 32.500 0.210 0.000 0.998 14 K HN 0.414 nan 8.250 nan 0.000 0.468 15 V N 2.713 122.906 119.914 0.464 0.000 2.709 15 V HA 0.353 4.472 4.120 -0.001 0.000 0.308 15 V C -1.010 175.374 176.094 0.483 0.000 1.062 15 V CA -0.968 61.666 62.300 0.557 0.000 0.901 15 V CB 1.746 33.953 31.823 0.639 0.000 1.003 15 V HN 0.715 nan 8.190 nan 0.000 0.425 16 M N 3.797 123.646 119.600 0.414 0.000 2.078 16 M HA 0.757 5.236 4.480 -0.001 0.000 0.320 16 M C 0.208 176.612 176.300 0.174 0.000 0.969 16 M CA -0.005 55.462 55.300 0.278 0.000 0.929 16 M CB 0.900 33.590 32.600 0.150 0.000 1.504 16 M HN 0.795 nan 8.290 nan 0.000 0.419 17 G N 1.647 110.419 108.800 -0.046 0.000 2.509 17 G HA2 0.585 4.544 3.960 -0.001 0.000 0.269 17 G HA3 0.585 4.544 3.960 -0.001 0.000 0.269 17 G C -0.996 173.692 174.900 -0.353 0.000 1.416 17 G CA -0.326 44.439 45.100 -0.558 0.000 1.052 17 G HN 0.665 nan 8.290 nan 0.000 0.542 18 T N -1.473 112.843 114.554 -0.398 0.000 2.933 18 T HA 0.488 4.837 4.350 -0.001 0.000 0.305 18 T C -0.684 173.905 174.700 -0.185 0.000 1.092 18 T CA -0.692 61.276 62.100 -0.221 0.000 1.008 18 T CB 1.402 70.168 68.868 -0.170 0.000 1.102 18 T HN 0.523 nan 8.240 nan 0.000 0.469 19 R N 3.131 123.575 120.500 -0.094 0.000 2.267 19 R HA 0.577 4.916 4.340 -0.001 0.000 0.319 19 R C -0.274 176.050 176.300 0.040 0.000 1.067 19 R CA -0.468 55.624 56.100 -0.014 0.000 0.936 19 R CB 0.226 30.527 30.300 0.001 0.000 1.006 19 R HN 0.542 nan 8.270 nan 0.000 0.452 20 V N 2.973 122.919 119.914 0.052 0.000 2.581 20 V HA 0.688 4.807 4.120 -0.001 0.000 0.303 20 V C -2.460 173.598 176.094 -0.060 0.000 1.041 20 V CA -2.640 59.670 62.300 0.016 0.000 0.907 20 V CB 1.649 33.473 31.823 0.002 0.000 0.994 20 V HN 0.733 nan 8.190 nan 0.000 0.442 21 P HA 0.420 nan 4.420 nan 0.000 0.278 21 P C -0.911 176.161 177.300 -0.381 0.000 1.238 21 P CA -0.184 62.593 63.100 -0.539 0.000 0.794 21 P CB 1.999 33.449 31.700 -0.416 0.000 0.955 22 V N 5.403 125.039 119.914 -0.465 0.000 2.697 22 V HA 0.148 4.267 4.120 -0.001 0.000 0.296 22 V C -0.122 175.691 176.094 -0.469 0.000 1.140 22 V CA -0.802 61.253 62.300 -0.409 0.000 0.921 22 V CB 0.696 32.239 31.823 -0.466 0.000 1.036 22 V HN 0.504 nan 8.190 nan 0.000 0.438 23 L N 5.864 126.958 121.223 -0.216 0.000 3.879 23 L HA -0.219 4.120 4.340 -0.001 0.000 0.481 23 L C 1.032 177.804 176.870 -0.163 0.000 1.232 23 L CA 0.949 55.707 54.840 -0.137 0.000 0.736 23 L CB -1.873 40.163 42.059 -0.038 0.000 1.511 23 L HN 1.109 nan 8.230 nan 0.000 0.830 24 S N -2.341 113.267 115.700 -0.154 0.000 3.380 24 S HA -0.210 4.260 4.470 -0.001 0.000 0.300 24 S C 0.410 174.950 174.600 -0.101 0.000 1.255 24 S CA 1.446 59.587 58.200 -0.098 0.000 0.963 24 S CB -0.630 62.555 63.200 -0.025 0.000 1.106 24 S HN 0.872 nan 8.310 nan 0.000 0.629 25 S N -1.078 114.469 115.700 -0.255 0.000 2.998 25 S HA 0.850 5.320 4.470 -0.001 0.000 0.321 25 S C -1.455 172.946 174.600 -0.332 0.000 1.171 25 S CA -0.613 57.497 58.200 -0.150 0.000 0.882 25 S CB 1.124 64.222 63.200 -0.170 0.000 1.301 25 S HN 0.440 nan 8.310 nan 0.000 0.629 26 H N -0.352 118.649 119.070 -0.115 0.000 3.016 26 H HA 0.745 5.301 4.556 -0.001 0.000 0.362 26 H C -0.623 174.712 175.328 0.012 0.000 1.233 26 H CA -0.262 55.745 56.048 -0.068 0.000 1.124 26 H CB 1.476 31.223 29.762 -0.025 0.000 1.850 26 H HN 0.741 nan 8.280 nan 0.000 0.549 27 I N -2.256 118.406 120.570 0.153 0.000 3.195 27 I HA 0.713 4.883 4.170 -0.001 0.000 0.313 27 I C -1.118 175.091 176.117 0.154 0.000 1.237 27 I CA -0.951 60.461 61.300 0.187 0.000 0.963 27 I CB 2.573 40.708 38.000 0.225 0.000 1.278 27 I HN 0.385 nan 8.210 nan 0.000 0.460 28 S N 1.663 117.465 115.700 0.171 0.000 2.541 28 S HA 0.826 5.296 4.470 -0.001 0.000 0.283 28 S C -0.284 174.327 174.600 0.018 0.000 1.196 28 S CA -0.525 57.706 58.200 0.053 0.000 1.062 28 S CB 1.485 64.762 63.200 0.128 0.000 1.009 28 S HN 0.857 nan 8.310 nan 0.000 0.502 29 A N 2.383 125.048 122.820 -0.258 0.000 2.343 29 A HA 0.779 5.099 4.320 -0.001 0.000 0.308 29 A C -1.312 175.958 177.584 -0.523 0.000 1.092 29 A CA -0.621 51.202 52.037 -0.358 0.000 0.751 29 A CB 0.431 19.220 19.000 -0.353 0.000 1.203 29 A HN 0.664 nan 8.150 nan 0.000 0.452 30 F N 2.989 122.813 119.950 -0.211 0.000 2.359 30 F HA 0.461 4.988 4.527 -0.001 0.000 0.369 30 F C -0.145 175.544 175.800 -0.186 0.000 1.084 30 F CA -0.359 57.599 58.000 -0.070 0.000 1.096 30 F CB 1.202 40.265 39.000 0.106 0.000 1.335 30 F HN 0.360 nan 8.300 nan 0.000 0.457 31 L N 2.151 123.336 121.223 -0.063 0.000 2.322 31 L HA 0.705 5.045 4.340 -0.001 0.000 0.279 31 L C 0.968 177.879 176.870 0.069 0.000 1.036 31 L CA -0.996 53.802 54.840 -0.070 0.000 0.807 31 L CB 1.506 43.441 42.059 -0.208 0.000 1.226 31 L HN 0.816 nan 8.230 nan 0.000 0.433 32 G N 3.062 111.926 108.800 0.107 0.000 2.256 32 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.272 32 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.272 32 G C -0.147 174.874 174.900 0.202 0.000 1.076 32 G CA -0.357 44.809 45.100 0.111 0.000 0.882 32 G HN 0.485 nan 8.290 nan 0.000 0.497 33 I N 2.139 122.748 120.570 0.064 0.000 2.396 33 I HA 0.231 4.400 4.170 -0.001 0.000 0.289 33 I C -1.375 174.566 176.117 -0.293 0.000 1.056 33 I CA -2.124 59.032 61.300 -0.240 0.000 1.365 33 I CB 1.154 38.974 38.000 -0.300 0.000 1.407 33 I HN 0.009 nan 8.210 nan 0.000 0.509 34 P HA 0.061 nan 4.420 nan 0.000 0.276 34 P C -0.337 176.599 177.300 -0.605 0.000 1.230 34 P CA -0.021 62.586 63.100 -0.821 0.000 0.776 34 P CB 0.694 31.832 31.700 -0.936 0.000 0.888 35 F N 0.731 120.351 119.950 -0.550 0.000 2.746 35 F HA 0.743 5.269 4.527 -0.001 0.000 0.320 35 F C -0.058 175.641 175.800 -0.168 0.000 1.097 35 F CA -0.934 56.819 58.000 -0.412 0.000 1.195 35 F CB 0.064 38.808 39.000 -0.426 0.000 1.056 35 F HN 0.372 nan 8.300 nan 0.000 0.562 36 A N -0.028 122.491 122.820 -0.502 0.000 2.609 36 A HA 0.610 4.929 4.320 -0.001 0.000 0.291 36 A C -0.941 176.465 177.584 -0.297 0.000 1.096 36 A CA -0.780 51.091 52.037 -0.276 0.000 0.684 36 A CB 1.053 19.882 19.000 -0.286 0.000 1.282 36 A HN 0.053 nan 8.150 nan 0.000 0.412 37 E N 0.866 120.979 120.200 -0.144 0.000 2.373 37 E HA 0.288 4.638 4.350 -0.001 0.000 0.267 37 E C -2.363 174.148 176.600 -0.148 0.000 1.032 37 E CA -1.442 54.893 56.400 -0.108 0.000 0.889 37 E CB 0.189 29.868 29.700 -0.036 0.000 0.984 37 E HN 0.231 nan 8.360 nan 0.000 0.425 38 P HA 0.005 nan 4.420 nan 0.000 0.262 38 P C -2.189 175.060 177.300 -0.085 0.000 1.199 38 P CA -0.684 62.349 63.100 -0.112 0.000 0.763 38 P CB 0.012 31.683 31.700 -0.048 0.000 0.790 39 P HA -0.005 nan 4.420 nan 0.000 0.225 39 P C -0.222 177.030 177.300 -0.080 0.000 1.768 39 P CA 0.157 63.212 63.100 -0.075 0.000 0.943 39 P CB -0.129 31.527 31.700 -0.072 0.000 1.936 40 V N -2.602 117.272 119.914 -0.066 0.000 3.093 40 V HA 0.881 5.001 4.120 -0.001 0.000 0.320 40 V C 1.011 177.071 176.094 -0.057 0.000 1.093 40 V CA 0.165 62.426 62.300 -0.066 0.000 1.016 40 V CB 0.721 32.514 31.823 -0.049 0.000 1.096 40 V HN 0.539 nan 8.190 nan 0.000 0.452 41 G N 3.214 111.979 108.800 -0.058 0.000 2.596 41 G HA2 -0.429 3.531 3.960 -0.001 0.000 0.304 41 G HA3 -0.429 3.531 3.960 -0.001 0.000 0.304 41 G C 0.569 175.440 174.900 -0.049 0.000 1.189 41 G CA 1.432 46.506 45.100 -0.045 0.000 0.986 41 G HN 2.071 nan 8.290 nan 0.000 0.548 42 N N 0.712 119.402 118.700 -0.018 0.000 2.520 42 N HA 0.134 4.874 4.740 -0.001 0.000 0.185 42 N C 2.033 177.542 175.510 -0.001 0.000 1.068 42 N CA 2.083 55.136 53.050 0.004 0.000 0.911 42 N CB -0.151 38.351 38.487 0.025 0.000 0.961 42 N HN 0.613 nan 8.380 nan 0.000 0.446 43 M N -0.528 119.057 119.600 -0.026 0.000 2.556 43 M HA 0.087 4.567 4.480 -0.001 0.000 0.245 43 M C 0.680 176.941 176.300 -0.063 0.000 1.128 43 M CA -0.237 55.048 55.300 -0.024 0.000 1.069 43 M CB 0.198 32.783 32.600 -0.024 0.000 1.469 43 M HN 0.124 nan 8.290 nan 0.000 0.494 44 R N 0.746 121.155 120.500 -0.151 0.000 2.538 44 R HA -0.075 4.265 4.340 -0.001 0.000 0.282 44 R C -0.396 175.697 176.300 -0.345 0.000 1.009 44 R CA 0.743 56.622 56.100 -0.370 0.000 1.063 44 R CB 0.167 30.101 30.300 -0.610 0.000 0.945 44 R HN 0.248 nan 8.270 nan 0.000 0.414 45 F N -0.433 119.514 119.950 -0.006 0.000 2.496 45 F HA -0.295 4.232 4.527 -0.001 0.000 0.523 45 F C 0.537 176.315 175.800 -0.036 0.000 0.526 45 F CA 0.928 58.900 58.000 -0.047 0.000 1.272 45 F CB -1.408 37.551 39.000 -0.068 0.000 1.968 45 F HN 0.627 nan 8.300 nan 0.000 0.263 46 R N 1.452 122.024 120.500 0.119 0.000 2.637 46 R HA 0.489 4.829 4.340 -0.001 0.000 0.269 46 R C 0.686 177.013 176.300 0.046 0.000 1.089 46 R CA -0.787 55.357 56.100 0.074 0.000 1.177 46 R CB 0.509 30.838 30.300 0.050 0.000 1.091 46 R HN 0.124 nan 8.270 nan 0.000 0.540 47 R N 1.973 122.499 120.500 0.043 0.000 2.734 47 R HA 0.080 4.419 4.340 -0.001 0.000 0.266 47 R C -1.949 174.374 176.300 0.038 0.000 1.044 47 R CA -1.139 54.986 56.100 0.041 0.000 1.128 47 R CB -0.101 30.229 30.300 0.050 0.000 1.010 47 R HN 0.409 nan 8.270 nan 0.000 0.461 48 P HA 0.071 nan 4.420 nan 0.000 0.277 48 P C -1.070 176.261 177.300 0.051 0.000 1.240 48 P CA -0.063 63.064 63.100 0.045 0.000 0.798 48 P CB 0.886 32.636 31.700 0.083 0.000 0.979 49 E N 1.976 122.197 120.200 0.034 0.000 2.212 49 E HA 0.397 4.747 4.350 -0.001 0.000 0.268 49 E C -2.396 174.235 176.600 0.052 0.000 0.902 49 E CA -2.515 53.911 56.400 0.042 0.000 0.779 49 E CB 1.062 30.779 29.700 0.028 0.000 1.172 49 E HN 0.322 nan 8.360 nan 0.000 0.409 50 P HA -0.107 nan 4.420 nan 0.000 0.265 50 P C -0.671 176.679 177.300 0.084 0.000 1.187 50 P CA 0.071 63.237 63.100 0.110 0.000 0.766 50 P CB 0.406 32.172 31.700 0.110 0.000 0.820 51 K N 3.664 124.124 120.400 0.100 0.000 2.379 51 K HA 0.056 4.376 4.320 -0.001 0.000 0.284 51 K C -0.182 176.501 176.600 0.137 0.000 1.044 51 K CA 0.307 56.644 56.287 0.083 0.000 0.974 51 K CB -0.022 32.520 32.500 0.071 0.000 0.962 51 K HN 0.221 nan 8.250 nan 0.000 0.474 52 K N 6.227 126.704 120.400 0.128 0.000 2.416 52 K HA 0.102 4.422 4.320 -0.001 0.000 0.283 52 K C -2.151 174.550 176.600 0.169 0.000 1.037 52 K CA -1.531 54.830 56.287 0.124 0.000 0.995 52 K CB 0.181 32.748 32.500 0.112 0.000 0.938 52 K HN 0.541 nan 8.250 nan 0.000 0.475 53 P HA -0.115 nan 4.420 nan 0.000 0.266 53 P C -1.150 176.180 177.300 0.050 0.000 1.186 53 P CA 0.232 63.266 63.100 -0.109 0.000 0.767 53 P CB 0.250 31.859 31.700 -0.152 0.000 0.820 54 W N 1.120 122.487 121.300 0.113 0.000 2.781 54 W HA 0.744 5.404 4.660 -0.001 0.000 0.345 54 W C -0.544 176.049 176.519 0.123 0.000 1.085 54 W CA -1.055 56.376 57.345 0.142 0.000 1.198 54 W CB 0.372 29.979 29.460 0.244 0.000 1.423 54 W HN 0.199 nan 8.180 nan 0.000 0.532 55 S N 1.344 117.249 115.700 0.341 0.000 2.646 55 S HA 0.748 5.217 4.470 -0.001 0.000 0.276 55 S C 0.495 175.299 174.600 0.339 0.000 1.222 55 S CA 0.705 59.039 58.200 0.224 0.000 1.014 55 S CB 0.255 63.541 63.200 0.143 0.000 0.991 55 S HN 1.931 nan 8.310 nan 0.000 0.533 56 G N 0.970 109.912 108.800 0.238 0.000 2.693 56 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.226 56 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.226 56 G C -0.959 174.140 174.900 0.332 0.000 1.354 56 G CA -0.317 44.920 45.100 0.227 0.000 0.873 56 G HN 1.349 nan 8.290 nan 0.000 0.562 57 V N 0.744 120.808 119.914 0.250 0.000 2.398 57 V HA 0.520 4.640 4.120 -0.001 0.000 0.286 57 V C 0.264 176.495 176.094 0.228 0.000 1.026 57 V CA -0.528 61.944 62.300 0.287 0.000 0.868 57 V CB 1.779 33.708 31.823 0.176 0.000 0.982 57 V HN 0.715 nan 8.190 nan 0.000 0.443 58 W N 5.339 126.718 121.300 0.131 0.000 2.311 58 W HA 0.275 4.934 4.660 -0.001 0.000 0.310 58 W C 0.160 176.669 176.519 -0.018 0.000 1.274 58 W CA -0.554 56.714 57.345 -0.127 0.000 1.215 58 W CB 0.985 30.184 29.460 -0.434 0.000 1.227 58 W HN 0.692 nan 8.180 nan 0.000 0.523 59 N N 4.614 123.127 118.700 -0.312 0.000 2.399 59 N HA 0.207 4.947 4.740 -0.001 0.000 0.259 59 N C -0.302 175.223 175.510 0.025 0.000 1.160 59 N CA 0.222 53.194 53.050 -0.131 0.000 0.946 59 N CB 0.906 39.252 38.487 -0.236 0.000 1.156 59 N HN 0.350 nan 8.380 nan 0.000 0.489 60 A N 2.778 125.715 122.820 0.196 0.000 3.159 60 A HA 0.196 4.516 4.320 -0.001 0.000 0.301 60 A C 1.090 178.688 177.584 0.023 0.000 1.271 60 A CA -0.291 51.879 52.037 0.221 0.000 0.998 60 A CB -0.597 18.628 19.000 0.376 0.000 1.101 60 A HN 0.671 nan 8.150 nan 0.000 0.610 61 S N -0.875 114.799 115.700 -0.043 0.000 2.517 61 S HA 0.142 4.612 4.470 -0.001 0.000 0.214 61 S C 0.786 175.301 174.600 -0.142 0.000 0.991 61 S CA 0.642 58.775 58.200 -0.112 0.000 0.906 61 S CB -0.267 62.873 63.200 -0.100 0.000 0.789 61 S HN 0.835 nan 8.310 nan 0.000 0.513 62 T N -1.010 113.476 114.554 -0.114 0.000 2.903 62 T HA 0.627 4.977 4.350 -0.001 0.000 0.299 62 T C -0.857 173.811 174.700 -0.054 0.000 1.093 62 T CA -0.775 61.252 62.100 -0.122 0.000 1.002 62 T CB 0.733 69.549 68.868 -0.086 0.000 1.127 62 T HN 0.056 nan 8.240 nan 0.000 0.488 63 Y N 2.967 123.233 120.300 -0.055 0.000 2.683 63 Y HA 0.299 4.849 4.550 -0.001 0.000 0.340 63 Y C -1.416 174.420 175.900 -0.106 0.000 1.245 63 Y CA -1.272 56.797 58.100 -0.052 0.000 1.485 63 Y CB 0.100 38.551 38.460 -0.016 0.000 1.328 63 Y HN 0.547 nan 8.280 nan 0.000 0.603 64 P HA 0.100 nan 4.420 nan 0.000 0.282 64 P C -0.665 176.556 177.300 -0.132 0.000 1.287 64 P CA -0.529 62.446 63.100 -0.208 0.000 0.792 64 P CB 0.975 32.448 31.700 -0.378 0.000 1.163 65 N N 0.134 118.728 118.700 -0.176 0.000 2.399 65 N HA 0.124 4.864 4.740 -0.001 0.000 0.250 65 N C 0.014 175.491 175.510 -0.054 0.000 1.272 65 N CA 0.150 53.144 53.050 -0.093 0.000 0.928 65 N CB -0.161 38.280 38.487 -0.077 0.000 1.158 65 N HN 0.412 nan 8.380 nan 0.000 0.463 66 N N -0.746 117.914 118.700 -0.065 0.000 2.492 66 N HA 0.297 5.036 4.740 -0.001 0.000 0.289 66 N C -0.428 175.041 175.510 -0.069 0.000 1.133 66 N CA -0.666 52.340 53.050 -0.073 0.000 0.961 66 N CB 1.085 39.506 38.487 -0.110 0.000 1.186 66 N HN 0.402 nan 8.380 nan 0.000 0.493 67 c N 1.272 119.834 118.600 -0.064 0.000 2.689 67 c HA 0.037 4.606 4.570 -0.001 0.000 0.409 67 c C 0.675 174.682 174.090 -0.139 0.000 1.293 67 c CA -0.554 55.718 56.329 -0.095 0.000 2.136 67 c CB -0.105 42.375 42.510 -0.049 0.000 2.719 67 c HN 0.533 nan 8.230 nan 0.000 0.644 68 Q N 2.526 122.162 119.800 -0.274 0.000 2.300 68 Q HA 0.232 4.572 4.340 -0.001 0.000 0.280 68 Q C -0.053 175.896 176.000 -0.086 0.000 1.033 68 Q CA 0.945 56.569 55.803 -0.298 0.000 0.903 68 Q CB 0.519 28.820 28.738 -0.729 0.000 1.195 68 Q HN 0.892 nan 8.270 nan 0.000 0.386 69 Q N 1.248 121.086 119.800 0.063 0.000 2.633 69 Q HA 0.279 4.618 4.340 -0.001 0.000 0.289 69 Q C -1.328 174.849 176.000 0.294 0.000 0.940 69 Q CA -0.997 54.943 55.803 0.229 0.000 0.785 69 Q CB 0.657 29.500 28.738 0.176 0.000 1.467 69 Q HN 0.479 nan 8.270 nan 0.000 0.401 70 Y N 1.060 121.550 120.300 0.317 0.000 2.597 70 Y HA 0.363 4.912 4.550 -0.001 0.000 0.336 70 Y C -1.052 175.028 175.900 0.300 0.000 1.216 70 Y CA 0.360 58.677 58.100 0.362 0.000 1.463 70 Y CB 0.896 39.694 38.460 0.563 0.000 1.303 70 Y HN 0.445 nan 8.280 nan 0.000 0.576 71 V N 6.538 126.209 119.914 -0.405 0.000 2.448 71 V HA 0.131 4.251 4.120 -0.001 0.000 0.295 71 V C -0.626 175.193 176.094 -0.459 0.000 1.025 71 V CA -1.085 61.058 62.300 -0.261 0.000 0.859 71 V CB 1.552 33.299 31.823 -0.126 0.000 0.988 71 V HN 0.761 nan 8.190 nan 0.000 0.431 72 D N 3.818 124.174 120.400 -0.073 0.000 2.346 72 D HA 0.102 4.742 4.640 -0.001 0.000 0.260 72 D C 0.557 176.908 176.300 0.086 0.000 1.252 72 D CA 0.366 54.435 54.000 0.114 0.000 0.895 72 D CB 0.854 41.881 40.800 0.379 0.000 1.097 72 D HN 0.678 nan 8.370 nan 0.000 0.489 73 E N 2.529 122.739 120.200 0.018 0.000 2.624 73 E HA -0.039 4.310 4.350 -0.001 0.000 0.210 73 E C 0.845 177.416 176.600 -0.047 0.000 0.997 73 E CA -0.156 56.246 56.400 0.004 0.000 0.999 73 E CB 0.684 30.360 29.700 -0.040 0.000 1.040 73 E HN 0.320 nan 8.360 nan 0.000 0.469 74 Q N -0.054 119.692 119.800 -0.089 0.000 2.170 74 Q HA -0.071 4.268 4.340 -0.001 0.000 0.203 74 Q C -0.274 175.250 176.000 -0.793 0.000 0.976 74 Q CA 1.339 56.842 55.803 -0.502 0.000 0.858 74 Q CB 0.188 28.481 28.738 -0.743 0.000 0.907 74 Q HN 0.128 nan 8.270 nan 0.000 0.433 75 F N 0.256 120.254 119.950 0.080 0.000 2.622 75 F HA 0.418 4.945 4.527 -0.001 0.000 0.338 75 F C -2.232 173.633 175.800 0.109 0.000 1.334 75 F CA -2.944 55.086 58.000 0.049 0.000 1.179 75 F CB 1.157 40.174 39.000 0.029 0.000 1.471 75 F HN -0.148 nan 8.300 nan 0.000 0.576 76 P HA 0.161 nan 4.420 nan 0.000 0.262 76 P C 0.999 178.380 177.300 0.134 0.000 1.182 76 P CA 1.242 64.413 63.100 0.119 0.000 0.761 76 P CB 0.732 32.466 31.700 0.056 0.000 0.795 77 G N 2.339 111.206 108.800 0.111 0.000 2.205 77 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.261 77 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.261 77 G C -0.061 174.911 174.900 0.120 0.000 0.980 77 G CA -0.413 44.738 45.100 0.084 0.000 0.632 77 G HN 0.530 nan 8.290 nan 0.000 0.533 78 F N 3.009 122.954 119.950 -0.009 0.000 2.404 78 F HA 0.558 5.085 4.527 -0.001 0.000 0.358 78 F C 1.588 177.331 175.800 -0.096 0.000 1.120 78 F CA -0.345 57.603 58.000 -0.087 0.000 1.144 78 F CB 1.250 40.185 39.000 -0.107 0.000 1.133 78 F HN 0.209 nan 8.300 nan 0.000 0.495 79 S N 3.271 118.594 115.700 -0.627 0.000 2.399 79 S HA -0.096 4.373 4.470 -0.001 0.000 0.231 79 S C 2.195 176.378 174.600 -0.695 0.000 1.022 79 S CA 0.939 58.808 58.200 -0.553 0.000 0.983 79 S CB -1.129 61.806 63.200 -0.442 0.000 0.803 79 S HN 0.816 nan 8.310 nan 0.000 0.480 80 G N 1.767 109.659 108.800 -1.514 0.000 2.442 80 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.219 80 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.219 80 G C 1.743 176.766 174.900 0.205 0.000 1.141 80 G CA 1.418 45.903 45.100 -1.025 0.000 0.763 80 G HN 0.803 nan 8.290 nan 0.000 0.554 81 S N -0.131 115.709 115.700 0.235 0.000 2.460 81 S HA 0.117 4.587 4.470 -0.001 0.000 0.226 81 S C 1.848 176.739 174.600 0.486 0.000 1.057 81 S CA 0.771 59.454 58.200 0.804 0.000 0.948 81 S CB -0.133 63.663 63.200 0.992 0.000 0.822 81 S HN 0.454 nan 8.310 nan 0.000 0.512 82 E N 1.978 122.298 120.200 0.200 0.000 2.338 82 E HA -0.070 4.279 4.350 -0.001 0.000 0.197 82 E C 1.993 178.554 176.600 -0.064 0.000 1.007 82 E CA 1.217 57.663 56.400 0.077 0.000 0.849 82 E CB -0.475 29.235 29.700 0.016 0.000 0.774 82 E HN 0.831 nan 8.360 nan 0.000 0.506 83 M N -1.827 117.646 119.600 -0.211 0.000 2.549 83 M HA -0.050 4.429 4.480 -0.001 0.000 0.260 83 M C 0.910 176.809 176.300 -0.669 0.000 1.076 83 M CA 1.293 56.295 55.300 -0.496 0.000 1.090 83 M CB -0.274 31.915 32.600 -0.685 0.000 1.418 83 M HN 0.029 nan 8.290 nan 0.000 0.486 84 W N 0.920 122.159 121.300 -0.103 0.000 3.107 84 W HA 0.288 4.947 4.660 -0.001 0.000 0.293 84 W C 0.425 176.870 176.519 -0.124 0.000 1.239 84 W CA -0.818 56.439 57.345 -0.146 0.000 1.653 84 W CB -0.099 29.306 29.460 -0.093 0.000 1.068 84 W HN 0.108 nan 8.180 nan 0.000 0.615 85 N N 1.422 120.169 118.700 0.078 0.000 2.424 85 N HA 0.148 4.887 4.740 -0.001 0.000 0.257 85 N C -2.487 172.988 175.510 -0.058 0.000 1.250 85 N CA -1.472 51.597 53.050 0.032 0.000 0.946 85 N CB -0.291 38.218 38.487 0.037 0.000 1.175 85 N HN -0.359 nan 8.380 nan 0.000 0.477 86 P HA 0.068 nan 4.420 nan 0.000 0.264 86 P C 0.010 177.252 177.300 -0.097 0.000 1.193 86 P CA 0.173 63.214 63.100 -0.098 0.000 0.763 86 P CB 0.076 31.730 31.700 -0.077 0.000 0.810 87 N N 1.895 120.521 118.700 -0.122 0.000 2.214 87 N HA 0.110 4.850 4.740 -0.001 0.000 0.214 87 N C 0.201 175.666 175.510 -0.075 0.000 1.132 87 N CA -0.584 52.405 53.050 -0.101 0.000 0.856 87 N CB 0.417 38.831 38.487 -0.122 0.000 1.020 87 N HN 0.112 nan 8.380 nan 0.000 0.509 88 R N 0.858 121.311 120.500 -0.079 0.000 2.836 88 R HA 0.232 4.571 4.340 -0.001 0.000 0.269 88 R C -0.839 175.424 176.300 -0.061 0.000 1.010 88 R CA -0.731 55.333 56.100 -0.060 0.000 0.930 88 R CB 1.129 31.392 30.300 -0.061 0.000 1.218 88 R HN 0.253 nan 8.270 nan 0.000 0.473 89 E N 1.883 122.050 120.200 -0.054 0.000 2.452 89 E HA -0.021 4.328 4.350 -0.001 0.000 0.261 89 E C -0.469 176.094 176.600 -0.062 0.000 0.987 89 E CA 0.308 56.676 56.400 -0.054 0.000 0.926 89 E CB 0.587 30.256 29.700 -0.052 0.000 0.934 89 E HN 0.260 nan 8.360 nan 0.000 0.452 90 M N 2.837 122.399 119.600 -0.062 0.000 2.249 90 M HA 0.210 4.690 4.480 -0.001 0.000 0.351 90 M C -0.101 176.148 176.300 -0.086 0.000 1.180 90 M CA 0.020 55.274 55.300 -0.077 0.000 1.127 90 M CB 1.614 34.169 32.600 -0.075 0.000 1.546 90 M HN 0.422 nan 8.290 nan 0.000 0.461 91 S N 0.664 116.301 115.700 -0.105 0.000 2.552 91 S HA 0.233 4.703 4.470 -0.001 0.000 0.272 91 S C 0.034 174.545 174.600 -0.148 0.000 1.150 91 S CA -0.697 57.438 58.200 -0.108 0.000 0.849 91 S CB 1.455 64.619 63.200 -0.061 0.000 1.113 91 S HN 0.827 nan 8.310 nan 0.000 0.458 92 E N 0.871 120.966 120.200 -0.176 0.000 2.274 92 E HA -0.064 4.286 4.350 -0.001 0.000 0.194 92 E C -0.293 176.244 176.600 -0.106 0.000 0.996 92 E CA 0.470 56.747 56.400 -0.205 0.000 0.840 92 E CB 0.086 29.666 29.700 -0.200 0.000 0.772 92 E HN 0.521 nan 8.360 nan 0.000 0.491 93 D N 0.578 120.949 120.400 -0.048 0.000 2.517 93 D HA -0.007 4.633 4.640 -0.001 0.000 0.220 93 D C 0.063 176.445 176.300 0.137 0.000 1.158 93 D CA -0.267 53.748 54.000 0.026 0.000 0.992 93 D CB -0.087 40.750 40.800 0.062 0.000 1.058 93 D HN 0.142 nan 8.370 nan 0.000 0.516 94 c N 2.312 120.961 118.600 0.081 0.000 3.772 94 c HA 0.390 4.959 4.570 -0.001 0.000 0.293 94 c C 0.616 174.781 174.090 0.124 0.000 1.659 94 c CA -0.701 55.737 56.329 0.181 0.000 1.810 94 c CB -1.288 41.252 42.510 0.050 0.000 3.059 94 c HN 0.407 nan 8.230 nan 0.000 0.617 95 L N 2.616 123.663 121.223 -0.293 0.000 2.404 95 L HA 0.422 4.761 4.340 -0.001 0.000 0.277 95 L C -0.870 175.249 176.870 -1.251 0.000 1.184 95 L CA 0.514 54.925 54.840 -0.714 0.000 1.013 95 L CB -0.613 40.890 42.059 -0.926 0.000 1.318 95 L HN 0.369 nan 8.230 nan 0.000 0.435 96 Y N 2.250 122.398 120.300 -0.255 0.000 2.609 96 Y HA 0.680 5.230 4.550 -0.001 0.000 0.342 96 Y C -0.182 175.880 175.900 0.270 0.000 1.058 96 Y CA -1.294 56.760 58.100 -0.077 0.000 1.055 96 Y CB 1.930 40.355 38.460 -0.059 0.000 1.292 96 Y HN 0.209 nan 8.280 nan 0.000 0.476 97 L N -0.462 120.953 121.223 0.319 0.000 2.350 97 L HA 0.773 5.113 4.340 -0.001 0.000 0.260 97 L C -1.551 175.376 176.870 0.094 0.000 1.015 97 L CA -1.200 53.760 54.840 0.200 0.000 0.821 97 L CB 1.978 44.068 42.059 0.051 0.000 1.370 97 L HN 0.562 nan 8.230 nan 0.000 0.416 98 N N 1.219 119.975 118.700 0.094 0.000 2.272 98 N HA 0.842 5.581 4.740 -0.001 0.000 0.305 98 N C -1.364 174.070 175.510 -0.126 0.000 1.103 98 N CA -0.577 52.434 53.050 -0.064 0.000 0.791 98 N CB 2.546 40.980 38.487 -0.089 0.000 1.356 98 N HN 0.601 nan 8.380 nan 0.000 0.486 99 I N 0.529 120.943 120.570 -0.260 0.000 2.499 99 I HA 0.359 4.529 4.170 -0.001 0.000 0.288 99 I C -0.964 175.095 176.117 -0.096 0.000 1.048 99 I CA -0.650 60.593 61.300 -0.094 0.000 1.062 99 I CB 1.751 39.635 38.000 -0.192 0.000 1.238 99 I HN 0.353 nan 8.210 nan 0.000 0.426 100 W N 5.944 127.378 121.300 0.223 0.000 2.376 100 W HA 0.591 5.250 4.660 -0.001 0.000 0.312 100 W C -0.969 175.690 176.519 0.233 0.000 1.060 100 W CA -0.648 56.826 57.345 0.215 0.000 1.221 100 W CB 2.130 31.684 29.460 0.156 0.000 1.281 100 W HN 0.088 nan 8.180 nan 0.000 0.456 101 V N 5.065 125.249 119.914 0.449 0.000 2.540 101 V HA 0.299 4.419 4.120 -0.001 0.000 0.302 101 V C -2.034 174.255 176.094 0.324 0.000 1.035 101 V CA -2.405 60.127 62.300 0.387 0.000 0.873 101 V CB 2.016 34.125 31.823 0.478 0.000 0.992 101 V HN 0.254 nan 8.190 nan 0.000 0.428 102 P HA 0.124 nan 4.420 nan 0.000 0.268 102 P C -0.600 176.829 177.300 0.214 0.000 1.208 102 P CA 0.201 63.438 63.100 0.228 0.000 0.777 102 P CB 0.552 32.352 31.700 0.167 0.000 0.875 103 S N 1.571 117.394 115.700 0.205 0.000 2.519 103 S HA 0.554 5.024 4.470 -0.001 0.000 0.309 103 S C -2.397 172.289 174.600 0.143 0.000 1.100 103 S CA -1.551 56.752 58.200 0.172 0.000 1.059 103 S CB 0.086 63.388 63.200 0.169 0.000 1.008 103 S HN 0.254 nan 8.310 nan 0.000 0.478 104 P HA 0.181 nan 4.420 nan 0.000 0.272 104 P C -0.497 176.876 177.300 0.123 0.000 1.230 104 P CA -0.597 62.568 63.100 0.108 0.000 0.788 104 P CB 0.408 32.157 31.700 0.081 0.000 0.949 105 R N 2.033 122.613 120.500 0.134 0.000 2.504 105 R HA 0.084 4.424 4.340 -0.001 0.000 0.291 105 R C -1.923 174.445 176.300 0.113 0.000 0.974 105 R CA -0.804 55.385 56.100 0.149 0.000 1.077 105 R CB -0.469 29.921 30.300 0.150 0.000 0.926 105 R HN 0.362 nan 8.270 nan 0.000 0.407 106 P HA 0.065 nan 4.420 nan 0.000 0.274 106 P C -0.197 177.142 177.300 0.064 0.000 1.260 106 P CA -0.371 62.779 63.100 0.083 0.000 0.793 106 P CB 0.698 32.451 31.700 0.089 0.000 1.048 107 K N -0.676 119.748 120.400 0.041 0.000 2.240 107 K HA 0.161 4.480 4.320 -0.001 0.000 0.202 107 K C 0.566 177.168 176.600 0.003 0.000 1.053 107 K CA 0.945 57.244 56.287 0.021 0.000 0.973 107 K CB -0.253 32.255 32.500 0.013 0.000 0.924 107 K HN 0.329 nan 8.250 nan 0.000 0.477 108 S N 1.118 116.820 115.700 0.004 0.000 2.592 108 S HA 0.166 4.636 4.470 -0.001 0.000 0.151 108 S C -1.062 173.537 174.600 -0.001 0.000 1.280 108 S CA -0.369 57.824 58.200 -0.012 0.000 1.187 108 S CB 0.323 63.505 63.200 -0.030 0.000 1.471 108 S HN 0.134 nan 8.310 nan 0.000 0.409 109 T N 1.926 116.491 114.554 0.018 0.000 2.952 109 T HA 0.575 4.924 4.350 -0.001 0.000 0.286 109 T C 0.148 174.860 174.700 0.021 0.000 1.024 109 T CA -0.051 62.063 62.100 0.023 0.000 1.029 109 T CB 1.176 70.069 68.868 0.043 0.000 1.094 109 T HN 0.460 nan 8.240 nan 0.000 0.515 110 T N 2.389 116.951 114.554 0.013 0.000 2.933 110 T HA 0.278 4.627 4.350 -0.001 0.000 0.306 110 T C -0.251 174.470 174.700 0.035 0.000 1.045 110 T CA -0.122 61.983 62.100 0.008 0.000 1.143 110 T CB 0.121 68.982 68.868 -0.011 0.000 1.003 110 T HN 0.410 nan 8.240 nan 0.000 0.540 111 V N 5.037 124.976 119.914 0.042 0.000 2.555 111 V HA 0.525 4.644 4.120 -0.001 0.000 0.302 111 V C -0.030 176.119 176.094 0.092 0.000 1.038 111 V CA -0.783 61.564 62.300 0.080 0.000 0.887 111 V CB 1.761 33.634 31.823 0.083 0.000 0.991 111 V HN 0.833 nan 8.190 nan 0.000 0.434 112 M N 4.380 124.063 119.600 0.138 0.000 2.259 112 M HA 0.570 5.050 4.480 -0.001 0.000 0.304 112 M C -1.362 175.177 176.300 0.397 0.000 1.019 112 M CA -0.653 54.755 55.300 0.179 0.000 0.922 112 M CB 2.310 34.899 32.600 -0.019 0.000 1.600 112 M HN 0.357 nan 8.290 nan 0.000 0.433 113 V N 3.036 123.228 119.914 0.464 0.000 2.357 113 V HA 0.325 4.445 4.120 -0.001 0.000 0.284 113 V C -0.761 175.615 176.094 0.469 0.000 1.018 113 V CA -0.636 61.911 62.300 0.412 0.000 0.841 113 V CB 1.478 33.415 31.823 0.190 0.000 0.991 113 V HN 0.867 nan 8.190 nan 0.000 0.437 114 W N 6.957 128.342 121.300 0.140 0.000 2.316 114 W HA 0.599 5.259 4.660 -0.001 0.000 0.311 114 W C -1.229 175.167 176.519 -0.204 0.000 1.217 114 W CA -0.665 56.486 57.345 -0.324 0.000 1.199 114 W CB 1.088 30.411 29.460 -0.229 0.000 1.202 114 W HN 0.445 nan 8.180 nan 0.000 0.528 115 I N 9.362 129.281 120.570 -1.086 0.000 2.390 115 I HA 0.052 4.221 4.170 -0.001 0.000 0.283 115 I C -0.249 175.081 176.117 -1.312 0.000 1.016 115 I CA -1.111 59.641 61.300 -0.913 0.000 1.151 115 I CB 0.544 38.188 38.000 -0.592 0.000 1.293 115 I HN 0.296 nan 8.210 nan 0.000 0.458 116 Y N 4.589 124.374 120.300 -0.858 0.000 2.550 116 Y HA 0.605 5.155 4.550 -0.001 0.000 0.343 116 Y C 0.750 176.473 175.900 -0.295 0.000 1.245 116 Y CA -0.737 56.994 58.100 -0.614 0.000 1.462 116 Y CB -0.088 38.277 38.460 -0.158 0.000 1.340 116 Y HN 0.509 nan 8.280 nan 0.000 0.604 117 G N -0.713 108.106 108.800 0.031 0.000 2.702 117 G HA2 0.506 4.466 3.960 -0.001 0.000 0.254 117 G HA3 0.506 4.466 3.960 -0.001 0.000 0.254 117 G C 0.265 175.124 174.900 -0.070 0.000 1.380 117 G CA -0.953 44.099 45.100 -0.080 0.000 1.042 117 G HN 1.715 nan 8.290 nan 0.000 0.557 118 G N -2.811 105.794 108.800 -0.325 0.000 2.207 118 G HA2 0.406 4.366 3.960 -0.001 0.000 0.193 118 G HA3 0.406 4.366 3.960 -0.001 0.000 0.193 118 G C 1.050 175.397 174.900 -0.921 0.000 1.050 118 G CA 0.727 45.494 45.100 -0.555 0.000 0.780 118 G HN 2.314 nan 8.290 nan 0.000 0.504 119 G N -0.488 107.839 108.800 -0.788 0.000 2.212 119 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.267 119 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.267 119 G C 0.933 175.673 174.900 -0.267 0.000 1.002 119 G CA 0.854 45.402 45.100 -0.920 0.000 0.729 119 G HN 1.752 nan 8.290 nan 0.000 0.517 120 F N -3.493 116.393 119.950 -0.107 0.000 2.825 120 F HA -0.314 4.213 4.527 -0.001 0.000 0.358 120 F C 1.481 177.383 175.800 0.171 0.000 0.639 120 F CA 2.140 60.183 58.000 0.072 0.000 1.153 120 F CB -2.060 36.871 39.000 -0.116 0.000 1.610 120 F HN 0.895 nan 8.300 nan 0.000 0.305 121 Y N -0.963 119.429 120.300 0.154 0.000 2.481 121 Y HA 0.665 5.215 4.550 -0.001 0.000 0.247 121 Y C 0.631 176.643 175.900 0.187 0.000 1.151 121 Y CA 0.203 58.403 58.100 0.167 0.000 1.238 121 Y CB -0.025 38.446 38.460 0.019 0.000 1.179 121 Y HN 0.100 nan 8.280 nan 0.000 0.524 122 S N -0.818 114.707 115.700 -0.292 0.000 2.672 122 S HA 0.884 5.354 4.470 -0.001 0.000 0.271 122 S C -0.271 174.199 174.600 -0.218 0.000 1.171 122 S CA -0.505 57.583 58.200 -0.188 0.000 0.817 122 S CB 1.455 64.499 63.200 -0.260 0.000 1.150 122 S HN 1.298 nan 8.310 nan 0.000 0.478 123 G N -0.278 108.362 108.800 -0.267 0.000 2.453 123 G HA2 0.433 4.393 3.960 -0.001 0.000 0.665 123 G HA3 0.433 4.393 3.960 -0.001 0.000 0.665 123 G C -1.061 173.222 174.900 -1.029 0.000 1.411 123 G CA -0.317 44.448 45.100 -0.559 0.000 0.889 123 G HN 1.352 nan 8.290 nan 0.000 0.651 124 S N -0.786 114.279 115.700 -1.058 0.000 2.541 124 S HA 0.698 5.168 4.470 -0.001 0.000 0.271 124 S C 0.940 175.342 174.600 -0.330 0.000 1.133 124 S CA 0.059 57.836 58.200 -0.704 0.000 0.876 124 S CB 1.827 64.832 63.200 -0.324 0.000 1.105 124 S HN 1.929 nan 8.310 nan 0.000 0.470 125 S N -0.155 115.547 115.700 0.003 0.000 2.528 125 S HA -0.048 4.422 4.470 -0.001 0.000 0.219 125 S C 1.380 176.059 174.600 0.131 0.000 0.985 125 S CA 0.822 59.227 58.200 0.340 0.000 0.914 125 S CB -0.604 62.838 63.200 0.404 0.000 0.776 125 S HN 0.844 nan 8.310 nan 0.000 0.526 126 T N 0.267 114.699 114.554 -0.204 0.000 3.107 126 T HA 0.393 4.742 4.350 -0.001 0.000 0.249 126 T C 0.528 174.966 174.700 -0.436 0.000 1.096 126 T CA -0.525 61.168 62.100 -0.678 0.000 1.012 126 T CB -0.626 67.727 68.868 -0.859 0.000 0.977 126 T HN 0.321 nan 8.240 nan 0.000 0.527 127 L N 2.065 123.102 121.223 -0.310 0.000 2.483 127 L HA 0.140 4.479 4.340 -0.001 0.000 0.276 127 L C 1.316 177.945 176.870 -0.401 0.000 1.213 127 L CA -0.482 54.081 54.840 -0.461 0.000 0.843 127 L CB 0.331 41.884 42.059 -0.842 0.000 1.107 127 L HN 0.083 nan 8.230 nan 0.000 0.487 128 D N 1.300 121.490 120.400 -0.350 0.000 2.149 128 D HA -0.157 4.483 4.640 -0.001 0.000 0.198 128 D C 1.942 178.050 176.300 -0.320 0.000 0.990 128 D CA 1.013 54.873 54.000 -0.233 0.000 0.839 128 D CB 0.121 40.797 40.800 -0.206 0.000 0.948 128 D HN 0.411 nan 8.370 nan 0.000 0.460 129 V N 0.294 119.865 119.914 -0.572 0.000 3.078 129 V HA -0.204 3.916 4.120 -0.001 0.000 0.265 129 V C 0.663 176.326 176.094 -0.718 0.000 1.122 129 V CA 1.171 63.094 62.300 -0.627 0.000 1.141 129 V CB -0.525 30.795 31.823 -0.839 0.000 0.735 129 V HN 0.140 nan 8.190 nan 0.000 0.498 130 Y N -0.646 119.230 120.300 -0.706 0.000 2.555 130 Y HA 0.411 4.961 4.550 -0.001 0.000 0.259 130 Y C 0.997 176.565 175.900 -0.553 0.000 1.179 130 Y CA -1.469 55.961 58.100 -1.116 0.000 1.230 130 Y CB -0.936 37.130 38.460 -0.657 0.000 1.146 130 Y HN 0.207 nan 8.280 nan 0.000 0.526 131 N N 1.597 120.191 118.700 -0.175 0.000 2.423 131 N HA -0.032 4.707 4.740 -0.001 0.000 0.275 131 N C 1.300 176.533 175.510 -0.461 0.000 1.283 131 N CA 0.602 53.532 53.050 -0.200 0.000 0.932 131 N CB 1.028 39.474 38.487 -0.069 0.000 1.185 131 N HN 0.489 nan 8.380 nan 0.000 0.483 132 G N 3.245 111.231 108.800 -1.355 0.000 2.848 132 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.208 132 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.208 132 G C 1.413 175.670 174.900 -1.070 0.000 1.152 132 G CA 0.286 44.736 45.100 -1.082 0.000 0.789 132 G HN 0.749 nan 8.290 nan 0.000 0.531 133 K N -0.521 119.097 120.400 -1.304 0.000 2.148 133 K HA -0.107 4.212 4.320 -0.001 0.000 0.204 133 K C 1.675 178.036 176.600 -0.398 0.000 1.050 133 K CA 0.970 56.824 56.287 -0.722 0.000 0.942 133 K CB -0.445 31.704 32.500 -0.586 0.000 0.724 133 K HN 0.308 nan 8.250 nan 0.000 0.446 134 Y N 1.137 121.349 120.300 -0.146 0.000 2.200 134 Y HA -0.105 4.445 4.550 -0.001 0.000 0.290 134 Y C 2.303 178.193 175.900 -0.016 0.000 1.137 134 Y CA 0.610 58.686 58.100 -0.039 0.000 1.163 134 Y CB -0.596 37.817 38.460 -0.079 0.000 0.988 134 Y HN 0.027 nan 8.280 nan 0.000 0.518 135 L N 0.231 121.473 121.223 0.032 0.000 2.056 135 L HA -0.039 4.301 4.340 -0.001 0.000 0.207 135 L C 2.363 179.236 176.870 0.004 0.000 1.078 135 L CA 1.872 56.686 54.840 -0.043 0.000 0.749 135 L CB -1.202 40.737 42.059 -0.201 0.000 0.901 135 L HN 0.139 nan 8.230 nan 0.000 0.433 136 A N -1.291 121.546 122.820 0.028 0.000 1.877 136 A HA -0.295 4.024 4.320 -0.001 0.000 0.216 136 A C 2.311 179.977 177.584 0.138 0.000 1.186 136 A CA 1.965 54.071 52.037 0.114 0.000 0.620 136 A CB -1.227 17.900 19.000 0.212 0.000 0.822 136 A HN 0.618 nan 8.150 nan 0.000 0.443 137 Y N 1.206 121.525 120.300 0.031 0.000 2.089 137 Y HA -0.178 4.371 4.550 -0.001 0.000 0.282 137 Y C 2.683 178.607 175.900 0.040 0.000 1.139 137 Y CA 2.427 60.551 58.100 0.041 0.000 1.123 137 Y CB -0.898 37.573 38.460 0.019 0.000 0.980 137 Y HN 0.295 nan 8.280 nan 0.000 0.493 138 T N 0.487 114.993 114.554 -0.081 0.000 2.708 138 T HA -0.140 4.209 4.350 -0.001 0.000 0.266 138 T C 1.380 176.002 174.700 -0.130 0.000 1.037 138 T CA 1.762 63.757 62.100 -0.176 0.000 1.146 138 T CB -0.151 68.714 68.868 -0.005 0.000 0.865 138 T HN 0.320 nan 8.240 nan 0.000 0.435 139 E N 0.650 120.825 120.200 -0.042 0.000 2.474 139 E HA 0.081 4.430 4.350 -0.001 0.000 0.195 139 E C 0.106 176.707 176.600 0.002 0.000 1.039 139 E CA 0.042 56.446 56.400 0.006 0.000 0.881 139 E CB 0.033 29.753 29.700 0.033 0.000 0.970 139 E HN 0.608 nan 8.360 nan 0.000 0.486 140 E N 0.101 120.291 120.200 -0.017 0.000 2.271 140 E HA -0.165 4.184 4.350 -0.001 0.000 0.223 140 E C -0.072 176.556 176.600 0.047 0.000 1.223 140 E CA 0.470 56.878 56.400 0.014 0.000 0.704 140 E CB -2.141 27.557 29.700 -0.004 0.000 1.194 140 E HN 0.126 nan 8.360 nan 0.000 0.375 141 V N -3.731 116.223 119.914 0.066 0.000 3.046 141 V HA 0.679 4.799 4.120 -0.001 0.000 0.316 141 V C 0.375 176.548 176.094 0.131 0.000 1.104 141 V CA -1.115 61.231 62.300 0.077 0.000 1.006 141 V CB 2.322 34.174 31.823 0.048 0.000 1.058 141 V HN -0.015 nan 8.190 nan 0.000 0.440 142 V N 4.119 124.118 119.914 0.141 0.000 2.385 142 V HA 0.316 4.435 4.120 -0.001 0.000 0.269 142 V C -0.049 176.175 176.094 0.217 0.000 1.043 142 V CA -0.319 62.095 62.300 0.191 0.000 0.906 142 V CB 1.018 32.938 31.823 0.161 0.000 0.995 142 V HN 0.751 nan 8.190 nan 0.000 0.467 143 L N 7.751 129.160 121.223 0.309 0.000 2.265 143 L HA 0.601 4.941 4.340 -0.001 0.000 0.289 143 L C -0.452 176.719 176.870 0.502 0.000 1.033 143 L CA 0.105 55.177 54.840 0.387 0.000 0.814 143 L CB 1.642 43.922 42.059 0.369 0.000 1.203 143 L HN 0.398 nan 8.230 nan 0.000 0.423 144 V N 3.968 124.141 119.914 0.432 0.000 2.581 144 V HA 0.594 4.714 4.120 -0.001 0.000 0.303 144 V C 0.051 176.426 176.094 0.468 0.000 1.041 144 V CA -0.591 61.936 62.300 0.378 0.000 0.907 144 V CB 2.106 34.063 31.823 0.224 0.000 0.994 144 V HN 0.906 nan 8.190 nan 0.000 0.442 145 S N 4.799 120.780 115.700 0.468 0.000 2.561 145 S HA 0.825 5.295 4.470 -0.001 0.000 0.303 145 S C -0.825 173.966 174.600 0.318 0.000 1.110 145 S CA -0.765 57.730 58.200 0.491 0.000 1.034 145 S CB 1.526 65.131 63.200 0.675 0.000 1.010 145 S HN 0.689 nan 8.310 nan 0.000 0.482 146 L N 0.907 122.255 121.223 0.207 0.000 2.492 146 L HA 1.010 5.349 4.340 -0.001 0.000 0.263 146 L C 0.103 177.124 176.870 0.251 0.000 1.062 146 L CA -0.704 54.222 54.840 0.144 0.000 0.817 146 L CB 0.306 42.321 42.059 -0.074 0.000 1.441 146 L HN 0.884 nan 8.230 nan 0.000 0.493 147 S N -1.565 114.344 115.700 0.349 0.000 2.618 147 S HA 0.899 5.369 4.470 -0.001 0.000 0.277 147 S C -1.303 173.561 174.600 0.440 0.000 1.138 147 S CA -0.494 57.948 58.200 0.404 0.000 0.844 147 S CB 1.572 65.038 63.200 0.443 0.000 1.127 147 S HN 1.258 nan 8.310 nan 0.000 0.474 148 Y N -1.758 118.671 120.300 0.215 0.000 2.604 148 Y HA 0.669 5.219 4.550 -0.001 0.000 0.331 148 Y C -0.818 175.218 175.900 0.226 0.000 1.158 148 Y CA -1.373 56.837 58.100 0.183 0.000 1.056 148 Y CB 0.646 39.164 38.460 0.096 0.000 1.330 148 Y HN 0.787 nan 8.280 nan 0.000 0.457 149 R N 1.893 122.525 120.500 0.220 0.000 2.570 149 R HA 0.514 4.854 4.340 -0.001 0.000 0.277 149 R C -0.115 176.351 176.300 0.276 0.000 1.039 149 R CA -0.060 56.131 56.100 0.151 0.000 1.065 149 R CB 0.819 31.180 30.300 0.102 0.000 0.964 149 R HN 0.696 nan 8.270 nan 0.000 0.428 150 V N -0.254 119.844 119.914 0.308 0.000 3.204 150 V HA 0.892 5.012 4.120 -0.001 0.000 0.316 150 V C 0.746 177.172 176.094 0.554 0.000 1.160 150 V CA -0.134 62.474 62.300 0.514 0.000 1.044 150 V CB 1.150 33.172 31.823 0.330 0.000 1.136 150 V HN 0.975 nan 8.190 nan 0.000 0.455 151 G N 0.429 109.596 108.800 0.612 0.000 2.575 151 G HA2 0.018 3.977 3.960 -0.001 0.000 0.267 151 G HA3 0.018 3.977 3.960 -0.001 0.000 0.267 151 G C 1.008 176.117 174.900 0.347 0.000 1.264 151 G CA 0.994 46.408 45.100 0.524 0.000 0.935 151 G HN 2.222 nan 8.290 nan 0.000 0.568 152 A N -1.331 121.399 122.820 -0.150 0.000 1.972 152 A HA 0.228 4.547 4.320 -0.001 0.000 0.219 152 A C 2.239 179.695 177.584 -0.213 0.000 1.169 152 A CA 2.506 54.076 52.037 -0.778 0.000 0.635 152 A CB -0.497 17.816 19.000 -1.145 0.000 0.810 152 A HN 0.937 nan 8.150 nan 0.000 0.446 153 F N 0.042 120.048 119.950 0.094 0.000 2.161 153 F HA -0.051 4.475 4.527 -0.001 0.000 0.300 153 F C 2.450 178.266 175.800 0.027 0.000 1.089 153 F CA 1.305 59.336 58.000 0.051 0.000 1.282 153 F CB -0.577 38.408 39.000 -0.025 0.000 1.010 153 F HN 0.298 nan 8.300 nan 0.000 0.485 154 G N -2.606 106.289 108.800 0.158 0.000 2.939 154 G HA2 0.074 4.034 3.960 -0.001 0.000 0.216 154 G HA3 0.074 4.034 3.960 -0.001 0.000 0.216 154 G C 0.723 175.164 174.900 -0.766 0.000 1.125 154 G CA 0.083 45.031 45.100 -0.254 0.000 0.766 154 G HN 0.330 nan 8.290 nan 0.000 0.541 155 F N -0.458 119.578 119.950 0.143 0.000 2.899 155 F HA 0.423 4.950 4.527 -0.001 0.000 0.337 155 F C 0.333 176.176 175.800 0.072 0.000 1.129 155 F CA -1.027 57.034 58.000 0.101 0.000 1.128 155 F CB 0.420 39.497 39.000 0.128 0.000 1.154 155 F HN -0.085 nan 8.300 nan 0.000 0.531 156 L N 2.281 123.492 121.223 -0.021 0.000 2.540 156 L HA 0.441 4.781 4.340 -0.001 0.000 0.276 156 L C 0.133 176.964 176.870 -0.066 0.000 1.212 156 L CA 0.252 54.964 54.840 -0.213 0.000 0.893 156 L CB 0.301 41.940 42.059 -0.701 0.000 1.138 156 L HN 0.157 nan 8.230 nan 0.000 0.491 157 A N 6.914 129.750 122.820 0.027 0.000 2.332 157 A HA 0.643 4.962 4.320 -0.001 0.000 0.300 157 A C -0.846 176.752 177.584 0.023 0.000 1.153 157 A CA -0.484 51.576 52.037 0.038 0.000 0.764 157 A CB 0.654 19.710 19.000 0.095 0.000 1.174 157 A HN 0.712 nan 8.150 nan 0.000 0.467 158 L N 3.543 124.769 121.223 0.005 0.000 2.502 158 L HA 0.236 4.575 4.340 -0.001 0.000 0.247 158 L C -0.014 176.888 176.870 0.053 0.000 1.180 158 L CA -0.773 54.074 54.840 0.011 0.000 0.956 158 L CB 0.377 42.409 42.059 -0.045 0.000 1.282 158 L HN 0.900 nan 8.230 nan 0.000 0.470 159 H N 1.630 120.699 119.070 -0.001 0.000 3.140 159 H HA 0.215 4.771 4.556 -0.001 0.000 0.316 159 H C 1.161 176.494 175.328 0.008 0.000 0.986 159 H CA 1.682 57.736 56.048 0.011 0.000 1.397 159 H CB 0.753 30.527 29.762 0.019 0.000 1.377 159 H HN 0.691 nan 8.280 nan 0.000 0.585 160 G N 2.633 111.144 108.800 -0.482 0.000 2.307 160 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.210 160 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.210 160 G C 0.409 175.214 174.900 -0.159 0.000 1.005 160 G CA 0.169 45.069 45.100 -0.332 0.000 0.634 160 G HN 0.892 nan 8.290 nan 0.000 0.496 161 S N 0.108 115.750 115.700 -0.098 0.000 2.586 161 S HA 0.601 5.071 4.470 -0.001 0.000 0.274 161 S C 1.011 175.593 174.600 -0.029 0.000 1.281 161 S CA 0.029 58.201 58.200 -0.047 0.000 1.035 161 S CB 1.464 64.647 63.200 -0.028 0.000 0.962 161 S HN 0.208 nan 8.310 nan 0.000 0.512 162 Q N 1.714 121.508 119.800 -0.010 0.000 2.319 162 Q HA 0.193 4.533 4.340 -0.001 0.000 0.209 162 Q C 0.922 176.940 176.000 0.029 0.000 0.884 162 Q CA 0.273 56.081 55.803 0.008 0.000 0.938 162 Q CB 0.315 29.057 28.738 0.007 0.000 1.098 162 Q HN 0.704 nan 8.270 nan 0.000 0.517 163 E N 0.270 120.490 120.200 0.034 0.000 2.190 163 E HA 0.109 4.459 4.350 -0.001 0.000 0.191 163 E C 0.178 176.833 176.600 0.092 0.000 0.978 163 E CA 0.445 56.884 56.400 0.065 0.000 0.839 163 E CB 0.643 30.384 29.700 0.069 0.000 0.787 163 E HN 0.098 nan 8.360 nan 0.000 0.473 164 A N 1.887 124.733 122.820 0.043 0.000 3.409 164 A HA 0.277 4.597 4.320 -0.001 0.000 0.282 164 A C -2.073 175.510 177.584 -0.001 0.000 1.064 164 A CA -0.862 51.182 52.037 0.012 0.000 0.889 164 A CB 0.642 19.554 19.000 -0.146 0.000 1.251 164 A HN -0.118 nan 8.150 nan 0.000 0.538 165 P HA 0.144 nan 4.420 nan 0.000 0.229 165 P C 0.893 178.243 177.300 0.084 0.000 1.160 165 P CA 1.728 64.863 63.100 0.059 0.000 0.777 165 P CB 0.252 31.989 31.700 0.061 0.000 0.814 166 G N 0.702 109.531 108.800 0.048 0.000 2.663 166 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.686 166 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.686 166 G C -0.119 174.792 174.900 0.018 0.000 1.288 166 G CA -0.286 44.848 45.100 0.057 0.000 0.836 166 G HN 0.113 nan 8.290 nan 0.000 0.584 167 N N -2.404 116.311 118.700 0.024 0.000 2.732 167 N HA -0.286 4.454 4.740 -0.001 0.000 0.250 167 N C 1.923 177.290 175.510 -0.239 0.000 1.097 167 N CA 2.516 55.514 53.050 -0.088 0.000 0.812 167 N CB -1.642 36.730 38.487 -0.192 0.000 1.148 167 N HN 1.913 nan 8.380 nan 0.000 0.572 168 V N -2.910 116.850 119.914 -0.256 0.000 2.759 168 V HA 0.014 4.134 4.120 -0.001 0.000 0.256 168 V C 2.295 178.248 176.094 -0.234 0.000 1.080 168 V CA 2.228 64.421 62.300 -0.177 0.000 1.101 168 V CB -0.867 30.905 31.823 -0.085 0.000 0.698 168 V HN 0.278 nan 8.190 nan 0.000 0.477 169 G N 0.437 108.876 108.800 -0.602 0.000 2.408 169 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.217 169 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.217 169 G C 1.542 176.424 174.900 -0.029 0.000 1.150 169 G CA 1.069 45.970 45.100 -0.332 0.000 0.776 169 G HN 0.529 nan 8.290 nan 0.000 0.542 170 L N -0.097 121.072 121.223 -0.090 0.000 2.141 170 L HA 0.080 4.420 4.340 -0.001 0.000 0.209 170 L C 2.780 179.708 176.870 0.096 0.000 1.094 170 L CA 0.372 55.166 54.840 -0.078 0.000 0.763 170 L CB -0.232 41.504 42.059 -0.538 0.000 0.908 170 L HN 0.184 nan 8.230 nan 0.000 0.437 171 L N -0.749 120.510 121.223 0.061 0.000 2.201 171 L HA -0.179 4.161 4.340 -0.001 0.000 0.212 171 L C 2.081 179.041 176.870 0.151 0.000 1.105 171 L CA 0.701 55.637 54.840 0.159 0.000 0.775 171 L CB -0.555 41.573 42.059 0.114 0.000 0.913 171 L HN 0.259 nan 8.230 nan 0.000 0.440 172 D N 0.037 120.525 120.400 0.146 0.000 2.097 172 D HA -0.191 4.449 4.640 -0.001 0.000 0.195 172 D C 2.286 178.691 176.300 0.175 0.000 0.989 172 D CA 1.145 55.299 54.000 0.257 0.000 0.827 172 D CB -0.147 40.838 40.800 0.308 0.000 0.966 172 D HN 0.366 nan 8.370 nan 0.000 0.456 173 Q N 0.171 120.025 119.800 0.090 0.000 2.061 173 Q HA -0.164 4.175 4.340 -0.001 0.000 0.204 173 Q C 2.300 178.213 176.000 -0.146 0.000 0.984 173 Q CA 1.157 56.923 55.803 -0.061 0.000 0.846 173 Q CB -0.099 28.623 28.738 -0.027 0.000 0.902 173 Q HN 0.201 nan 8.270 nan 0.000 0.421 174 R N 0.613 121.106 120.500 -0.012 0.000 2.081 174 R HA -0.148 4.191 4.340 -0.001 0.000 0.235 174 R C 2.221 178.497 176.300 -0.041 0.000 1.131 174 R CA 1.524 57.597 56.100 -0.044 0.000 0.960 174 R CB -0.186 30.192 30.300 0.129 0.000 0.856 174 R HN 0.285 nan 8.270 nan 0.000 0.436 175 M N -0.044 119.565 119.600 0.015 0.000 2.159 175 M HA -0.107 4.373 4.480 -0.001 0.000 0.263 175 M C 2.057 178.307 176.300 -0.084 0.000 1.063 175 M CA 1.900 57.238 55.300 0.062 0.000 1.110 175 M CB -0.010 32.727 32.600 0.229 0.000 1.374 175 M HN 0.317 nan 8.290 nan 0.000 0.411 176 A N 0.368 122.886 122.820 -0.504 0.000 1.898 176 A HA -0.095 4.225 4.320 -0.001 0.000 0.216 176 A C 1.968 179.417 177.584 -0.224 0.000 1.181 176 A CA 1.259 52.804 52.037 -0.820 0.000 0.620 176 A CB -0.900 17.355 19.000 -1.242 0.000 0.819 176 A HN 0.572 nan 8.150 nan 0.000 0.442 177 L N -0.994 120.127 121.223 -0.170 0.000 2.093 177 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 177 L C 2.822 179.726 176.870 0.056 0.000 1.085 177 L CA 1.632 56.443 54.840 -0.050 0.000 0.755 177 L CB -0.448 41.545 42.059 -0.109 0.000 0.904 177 L HN 0.483 nan 8.230 nan 0.000 0.435 178 Q N -0.295 119.531 119.800 0.044 0.000 2.079 178 Q HA -0.252 4.088 4.340 -0.001 0.000 0.200 178 Q C 2.007 178.104 176.000 0.162 0.000 0.974 178 Q CA 1.859 57.708 55.803 0.076 0.000 0.840 178 Q CB -0.456 28.316 28.738 0.056 0.000 0.898 178 Q HN 0.471 nan 8.270 nan 0.000 0.430 179 W N -0.706 120.604 121.300 0.016 0.000 2.358 179 W HA -0.152 4.508 4.660 -0.001 0.000 0.303 179 W C 1.812 178.373 176.519 0.069 0.000 1.208 179 W CA 1.639 59.019 57.345 0.059 0.000 1.274 179 W CB -0.137 29.357 29.460 0.056 0.000 1.138 179 W HN 0.012 nan 8.180 nan 0.000 0.515 180 V N 0.028 120.138 119.914 0.326 0.000 2.343 180 V HA -0.365 3.755 4.120 -0.001 0.000 0.247 180 V C 2.551 178.677 176.094 0.053 0.000 1.051 180 V CA 2.320 64.741 62.300 0.201 0.000 1.036 180 V CB -1.263 30.665 31.823 0.176 0.000 0.654 180 V HN 0.352 nan 8.190 nan 0.000 0.451 181 H N 0.494 119.558 119.070 -0.010 0.000 2.352 181 H HA -0.172 4.384 4.556 -0.001 0.000 0.299 181 H C 1.908 177.168 175.328 -0.113 0.000 1.097 181 H CA 2.110 58.131 56.048 -0.045 0.000 1.311 181 H CB -0.026 29.723 29.762 -0.021 0.000 1.377 181 H HN 0.421 nan 8.280 nan 0.000 0.504 182 D N -0.389 120.011 120.400 0.000 0.000 2.234 182 D HA -0.056 4.583 4.640 -0.001 0.000 0.205 182 D C 1.114 177.255 176.300 -0.266 0.000 0.962 182 D CA 0.846 54.778 54.000 -0.112 0.000 0.855 182 D CB -0.105 40.645 40.800 -0.084 0.000 0.951 182 D HN 0.525 nan 8.370 nan 0.000 0.500 183 N N -0.727 117.728 118.700 -0.408 0.000 2.239 183 N HA 0.097 4.836 4.740 -0.001 0.000 0.208 183 N C 1.263 176.706 175.510 -0.110 0.000 1.200 183 N CA -0.217 52.631 53.050 -0.338 0.000 0.895 183 N CB 0.738 38.672 38.487 -0.922 0.000 1.085 183 N HN -0.122 nan 8.380 nan 0.000 0.500 184 I N 2.507 123.018 120.570 -0.098 0.000 2.530 184 I HA -0.281 3.888 4.170 -0.001 0.000 0.257 184 I C 2.328 178.460 176.117 0.025 0.000 1.179 184 I CA 1.363 62.716 61.300 0.089 0.000 1.440 184 I CB -0.235 37.784 38.000 0.031 0.000 1.087 184 I HN 0.254 nan 8.210 nan 0.000 0.440 185 Q N -0.815 118.815 119.800 -0.284 0.000 2.181 185 Q HA -0.241 4.098 4.340 -0.001 0.000 0.205 185 Q C 1.883 177.665 176.000 -0.363 0.000 0.980 185 Q CA 1.749 57.316 55.803 -0.393 0.000 0.862 185 Q CB -0.886 27.471 28.738 -0.635 0.000 0.905 185 Q HN 0.424 nan 8.270 nan 0.000 0.429 186 F N -0.209 119.697 119.950 -0.075 0.000 2.502 186 F HA 0.086 4.612 4.527 -0.001 0.000 0.298 186 F C 0.967 176.557 175.800 -0.350 0.000 1.111 186 F CA 0.320 58.179 58.000 -0.235 0.000 1.445 186 F CB -0.108 38.672 39.000 -0.366 0.000 1.081 186 F HN 0.001 nan 8.300 nan 0.000 0.558 187 F N -0.615 119.347 119.950 0.019 0.000 2.695 187 F HA 0.416 4.942 4.527 -0.001 0.000 0.303 187 F C 1.795 177.608 175.800 0.023 0.000 1.091 187 F CA 0.331 58.320 58.000 -0.018 0.000 1.300 187 F CB -0.023 38.938 39.000 -0.065 0.000 1.071 187 F HN 0.031 nan 8.300 nan 0.000 0.578 188 G N 0.165 109.044 108.800 0.132 0.000 2.157 188 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.239 188 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.239 188 G C 0.576 175.520 174.900 0.073 0.000 0.982 188 G CA -0.290 44.864 45.100 0.089 0.000 0.650 188 G HN 0.714 nan 8.290 nan 0.000 0.527 189 G N -0.442 108.405 108.800 0.079 0.000 2.425 189 G HA2 0.503 4.463 3.960 -0.001 0.000 0.302 189 G HA3 0.503 4.463 3.960 -0.001 0.000 0.302 189 G C -0.806 174.083 174.900 -0.019 0.000 1.159 189 G CA 0.251 45.379 45.100 0.048 0.000 0.865 189 G HN 0.256 nan 8.290 nan 0.000 0.515 190 D N 1.460 121.847 120.400 -0.021 0.000 2.396 190 D HA 0.276 4.916 4.640 -0.001 0.000 0.225 190 D C -1.009 175.252 176.300 -0.066 0.000 1.121 190 D CA -2.428 51.538 54.000 -0.056 0.000 0.853 190 D CB 1.871 42.647 40.800 -0.041 0.000 1.043 190 D HN 0.060 nan 8.370 nan 0.000 0.500 191 P HA -0.148 nan 4.420 nan 0.000 0.225 191 P C 0.491 177.735 177.300 -0.094 0.000 1.148 191 P CA 0.889 63.900 63.100 -0.148 0.000 0.779 191 P CB 0.049 31.552 31.700 -0.327 0.000 0.780 192 K N -1.142 119.211 120.400 -0.080 0.000 2.404 192 K HA 0.167 4.487 4.320 -0.001 0.000 0.194 192 K C 0.018 176.602 176.600 -0.026 0.000 1.023 192 K CA 0.264 56.525 56.287 -0.045 0.000 1.094 192 K CB -0.269 32.198 32.500 -0.055 0.000 0.841 192 K HN -0.145 nan 8.250 nan 0.000 0.523 193 T N 1.561 116.103 114.554 -0.020 0.000 3.630 193 T HA 0.224 4.573 4.350 -0.001 0.000 0.238 193 T C -0.856 173.851 174.700 0.012 0.000 1.195 193 T CA -0.486 61.604 62.100 -0.018 0.000 1.433 193 T CB 0.742 69.589 68.868 -0.035 0.000 0.940 193 T HN -0.088 nan 8.240 nan 0.000 0.641 194 V N 1.971 121.919 119.914 0.056 0.000 2.394 194 V HA 0.479 4.599 4.120 -0.001 0.000 0.282 194 V C 0.366 176.550 176.094 0.150 0.000 1.031 194 V CA -0.405 61.958 62.300 0.105 0.000 0.881 194 V CB 1.637 33.545 31.823 0.142 0.000 0.982 194 V HN 0.478 nan 8.190 nan 0.000 0.451 195 T N 6.498 121.129 114.554 0.128 0.000 2.770 195 T HA 0.579 4.929 4.350 -0.001 0.000 0.283 195 T C -0.139 174.678 174.700 0.196 0.000 0.988 195 T CA -0.171 62.020 62.100 0.151 0.000 0.957 195 T CB 0.747 69.658 68.868 0.070 0.000 0.930 195 T HN 0.607 nan 8.240 nan 0.000 0.443 196 I N 1.891 122.550 120.570 0.147 0.000 2.385 196 I HA 0.850 5.020 4.170 -0.001 0.000 0.294 196 I C -0.801 175.482 176.117 0.276 0.000 0.988 196 I CA -0.945 60.423 61.300 0.114 0.000 1.265 196 I CB 0.811 38.655 38.000 -0.261 0.000 1.388 196 I HN 0.475 nan 8.210 nan 0.000 0.480 197 F N 3.202 123.188 119.950 0.060 0.000 2.601 197 F HA 1.010 5.536 4.527 -0.001 0.000 0.309 197 F C -0.425 175.369 175.800 -0.010 0.000 1.089 197 F CA -1.323 56.753 58.000 0.127 0.000 0.940 197 F CB 1.390 40.584 39.000 0.325 0.000 1.273 197 F HN 0.824 nan 8.300 nan 0.000 0.450 198 G N 1.087 109.775 108.800 -0.188 0.000 2.646 198 G HA2 0.488 4.447 3.960 -0.001 0.000 0.291 198 G HA3 0.488 4.447 3.960 -0.001 0.000 0.291 198 G C -2.524 172.178 174.900 -0.331 0.000 1.445 198 G CA -0.794 43.822 45.100 -0.805 0.000 0.814 198 G HN 0.859 nan 8.290 nan 0.000 0.495 199 E N 0.106 120.065 120.200 -0.401 0.000 2.227 199 E HA 0.601 4.951 4.350 -0.001 0.000 0.268 199 E C 1.020 177.561 176.600 -0.099 0.000 0.907 199 E CA 0.592 56.977 56.400 -0.025 0.000 0.786 199 E CB 1.987 31.825 29.700 0.231 0.000 1.191 199 E HN 1.504 nan 8.360 nan 0.000 0.411 200 S N 3.087 118.787 115.700 0.000 0.000 4.112 200 S HA -0.402 4.068 4.470 -0.001 0.000 0.602 200 S C 1.631 176.308 174.600 0.128 0.000 1.939 200 S CA 1.463 59.729 58.200 0.110 0.000 4.230 200 S CB -1.892 61.275 63.200 -0.054 0.000 0.245 200 S HN 1.132 nan 8.310 nan 0.000 0.530 201 A N 1.969 124.753 122.820 -0.059 0.000 2.024 201 A HA 0.265 4.585 4.320 -0.001 0.000 0.220 201 A C 2.552 179.884 177.584 -0.421 0.000 1.164 201 A CA 2.418 54.219 52.037 -0.392 0.000 0.643 201 A CB -1.810 16.562 19.000 -1.047 0.000 0.806 201 A HN 1.862 nan 8.150 nan 0.000 0.451 202 G N -0.814 107.797 108.800 -0.316 0.000 2.421 202 G HA2 0.117 4.077 3.960 -0.001 0.000 0.217 202 G HA3 0.117 4.077 3.960 -0.001 0.000 0.217 202 G C 1.425 176.151 174.900 -0.290 0.000 1.143 202 G CA 1.099 45.969 45.100 -0.383 0.000 0.784 202 G HN 0.645 nan 8.290 nan 0.000 0.541 203 G N 1.013 109.706 108.800 -0.179 0.000 2.394 203 G HA2 0.127 4.087 3.960 -0.001 0.000 0.215 203 G HA3 0.127 4.087 3.960 -0.001 0.000 0.215 203 G C 2.021 176.830 174.900 -0.151 0.000 1.165 203 G CA 1.346 46.374 45.100 -0.119 0.000 0.784 203 G HN 0.554 nan 8.290 nan 0.000 0.535 204 A N 0.905 123.659 122.820 -0.111 0.000 1.902 204 A HA 0.006 4.326 4.320 -0.001 0.000 0.217 204 A C 2.691 180.213 177.584 -0.103 0.000 1.181 204 A CA 2.258 54.206 52.037 -0.148 0.000 0.623 204 A CB -0.623 18.318 19.000 -0.098 0.000 0.818 204 A HN 0.298 nan 8.150 nan 0.000 0.443 205 S N -0.449 115.208 115.700 -0.071 0.000 2.356 205 S HA -0.142 4.328 4.470 -0.001 0.000 0.223 205 S C 1.916 176.439 174.600 -0.127 0.000 1.032 205 S CA 1.417 59.557 58.200 -0.099 0.000 1.005 205 S CB -0.538 62.567 63.200 -0.158 0.000 0.867 205 S HN 0.346 nan 8.310 nan 0.000 0.449 206 V N 1.681 121.527 119.914 -0.113 0.000 2.282 206 V HA -0.214 3.906 4.120 -0.001 0.000 0.249 206 V C 2.597 178.642 176.094 -0.082 0.000 1.057 206 V CA 2.070 64.311 62.300 -0.097 0.000 1.032 206 V CB -1.473 30.274 31.823 -0.126 0.000 0.645 206 V HN 0.610 nan 8.190 nan 0.000 0.447 207 G N -1.106 107.593 108.800 -0.168 0.000 2.432 207 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.219 207 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.219 207 G C 1.591 176.485 174.900 -0.011 0.000 1.135 207 G CA 0.966 45.938 45.100 -0.213 0.000 0.767 207 G HN 0.460 nan 8.290 nan 0.000 0.550 208 M N -0.156 119.449 119.600 0.009 0.000 2.229 208 M HA 0.013 4.493 4.480 -0.001 0.000 0.264 208 M C 2.235 178.649 176.300 0.190 0.000 1.063 208 M CA 0.857 56.291 55.300 0.223 0.000 1.114 208 M CB -0.236 32.510 32.600 0.243 0.000 1.387 208 M HN 0.185 nan 8.290 nan 0.000 0.420 209 H N -0.220 118.981 119.070 0.218 0.000 2.470 209 H HA 0.074 4.629 4.556 -0.001 0.000 0.289 209 H C 2.097 177.639 175.328 0.357 0.000 1.033 209 H CA 1.159 57.328 56.048 0.203 0.000 1.331 209 H CB -0.132 29.642 29.762 0.020 0.000 1.414 209 H HN 0.409 nan 8.280 nan 0.000 0.545 210 I N 0.414 121.261 120.570 0.463 0.000 2.315 210 I HA -0.231 3.939 4.170 -0.001 0.000 0.248 210 I C 2.190 178.545 176.117 0.398 0.000 1.117 210 I CA 0.829 62.440 61.300 0.518 0.000 1.404 210 I CB -0.037 38.205 38.000 0.403 0.000 1.071 210 I HN 0.116 nan 8.210 nan 0.000 0.419 211 L N -0.598 120.828 121.223 0.338 0.000 2.068 211 L HA -0.055 4.285 4.340 -0.001 0.000 0.204 211 L C 1.549 178.531 176.870 0.187 0.000 1.076 211 L CA 0.357 55.393 54.840 0.327 0.000 0.753 211 L CB -0.339 41.947 42.059 0.379 0.000 0.910 211 L HN 0.067 nan 8.230 nan 0.000 0.439 212 S N 0.147 115.868 115.700 0.036 0.000 2.481 212 S HA 0.068 4.537 4.470 -0.001 0.000 0.282 212 S C -1.495 172.984 174.600 -0.202 0.000 1.243 212 S CA -1.273 56.746 58.200 -0.303 0.000 1.078 212 S CB 0.842 63.385 63.200 -1.096 0.000 0.916 212 S HN -0.070 nan 8.310 nan 0.000 0.495 213 P HA -0.056 nan 4.420 nan 0.000 0.216 213 P C 1.392 178.608 177.300 -0.140 0.000 1.150 213 P CA 1.096 64.127 63.100 -0.114 0.000 0.843 213 P CB -0.080 31.561 31.700 -0.098 0.000 0.787 214 G N -1.626 107.039 108.800 -0.226 0.000 2.679 214 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.212 214 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.212 214 G C 1.315 176.137 174.900 -0.130 0.000 1.137 214 G CA 0.559 45.546 45.100 -0.188 0.000 0.787 214 G HN 0.236 nan 8.290 nan 0.000 0.534 215 S N -0.606 115.039 115.700 -0.093 0.000 2.539 215 S HA 0.123 4.592 4.470 -0.001 0.000 0.226 215 S C 2.148 176.848 174.600 0.167 0.000 1.054 215 S CA -0.442 57.810 58.200 0.087 0.000 0.910 215 S CB 0.236 63.617 63.200 0.302 0.000 0.818 215 S HN 0.326 nan 8.310 nan 0.000 0.490 216 R N 2.011 122.547 120.500 0.061 0.000 2.140 216 R HA -0.157 4.183 4.340 -0.001 0.000 0.250 216 R C 0.893 176.999 176.300 -0.323 0.000 1.150 216 R CA 1.857 57.878 56.100 -0.132 0.000 0.966 216 R CB -0.543 29.703 30.300 -0.090 0.000 0.869 216 R HN 0.303 nan 8.270 nan 0.000 0.445 217 D N 0.354 120.649 120.400 -0.175 0.000 2.371 217 D HA -0.048 4.591 4.640 -0.001 0.000 0.221 217 D C 1.411 177.631 176.300 -0.134 0.000 0.986 217 D CA 0.767 54.667 54.000 -0.168 0.000 0.899 217 D CB 0.032 40.751 40.800 -0.134 0.000 0.902 217 D HN 0.267 nan 8.370 nan 0.000 0.530 218 L N -0.325 120.863 121.223 -0.058 0.000 2.591 218 L HA 0.153 4.493 4.340 -0.001 0.000 0.228 218 L C -0.064 176.972 176.870 0.277 0.000 1.133 218 L CA -0.062 54.831 54.840 0.088 0.000 0.880 218 L CB -0.310 41.808 42.059 0.098 0.000 1.033 218 L HN -0.051 nan 8.230 nan 0.000 0.450 219 F N -4.403 115.567 119.950 0.032 0.000 2.686 219 F HA 0.574 5.101 4.527 -0.001 0.000 0.311 219 F C 0.422 176.248 175.800 0.043 0.000 1.128 219 F CA -1.396 56.629 58.000 0.043 0.000 0.946 219 F CB 1.129 40.152 39.000 0.039 0.000 1.336 219 F HN -0.412 nan 8.300 nan 0.000 0.457 220 R N 0.800 121.380 120.500 0.134 0.000 2.074 220 R HA 0.424 4.764 4.340 -0.001 0.000 0.218 220 R C -0.043 176.304 176.300 0.078 0.000 1.137 220 R CA 1.338 57.450 56.100 0.018 0.000 0.998 220 R CB 0.193 30.500 30.300 0.012 0.000 0.895 220 R HN 0.853 nan 8.270 nan 0.000 0.442 221 R N -1.568 119.067 120.500 0.225 0.000 2.846 221 R HA 0.816 5.155 4.340 -0.001 0.000 0.263 221 R C -1.520 175.017 176.300 0.396 0.000 1.080 221 R CA -0.810 55.440 56.100 0.250 0.000 0.961 221 R CB 1.352 31.635 30.300 -0.028 0.000 1.231 221 R HN 0.068 nan 8.270 nan 0.000 0.465 222 A N 0.750 123.805 122.820 0.392 0.000 2.556 222 A HA 0.752 5.072 4.320 -0.001 0.000 0.294 222 A C -1.222 176.492 177.584 0.216 0.000 1.091 222 A CA -0.932 51.270 52.037 0.276 0.000 0.704 222 A CB 1.626 20.739 19.000 0.188 0.000 1.300 222 A HN 0.613 nan 8.150 nan 0.000 0.406 223 I N 1.143 121.791 120.570 0.131 0.000 2.499 223 I HA 0.383 4.553 4.170 -0.001 0.000 0.288 223 I C -1.551 174.616 176.117 0.082 0.000 1.048 223 I CA -0.559 60.750 61.300 0.016 0.000 1.062 223 I CB 1.917 39.909 38.000 -0.013 0.000 1.238 223 I HN 0.403 nan 8.210 nan 0.000 0.426 224 L N 6.566 127.804 121.223 0.025 0.000 2.325 224 L HA 0.455 4.795 4.340 -0.001 0.000 0.281 224 L C -0.479 176.465 176.870 0.123 0.000 1.004 224 L CA -0.253 54.602 54.840 0.024 0.000 0.823 224 L CB 1.567 43.565 42.059 -0.102 0.000 1.236 224 L HN 0.492 nan 8.230 nan 0.000 0.415 225 Q N 1.844 121.770 119.800 0.209 0.000 2.348 225 Q HA 0.481 4.821 4.340 -0.001 0.000 0.265 225 Q C 0.020 176.145 176.000 0.208 0.000 0.998 225 Q CA -0.573 55.426 55.803 0.328 0.000 0.831 225 Q CB 1.537 30.576 28.738 0.503 0.000 1.251 225 Q HN 0.638 nan 8.270 nan 0.000 0.456 226 S N 1.067 116.879 115.700 0.187 0.000 3.614 226 S HA -0.166 4.304 4.470 -0.001 0.000 0.360 226 S C 0.005 174.755 174.600 0.250 0.000 1.023 226 S CA 0.612 58.942 58.200 0.216 0.000 1.114 226 S CB -1.131 62.226 63.200 0.261 0.000 0.907 226 S HN 0.976 nan 8.310 nan 0.000 0.470 227 G N -0.282 108.600 108.800 0.137 0.000 2.633 227 G HA2 0.589 4.549 3.960 -0.001 0.000 0.299 227 G HA3 0.589 4.549 3.960 -0.001 0.000 0.299 227 G C -0.982 173.856 174.900 -0.103 0.000 1.501 227 G CA 0.116 45.294 45.100 0.130 0.000 0.887 227 G HN 1.059 nan 8.290 nan 0.000 0.561 228 S N 1.344 116.906 115.700 -0.229 0.000 2.588 228 S HA 0.794 5.263 4.470 -0.001 0.000 0.275 228 S C -2.014 172.302 174.600 -0.473 0.000 1.130 228 S CA -1.209 56.710 58.200 -0.468 0.000 0.855 228 S CB 3.116 66.051 63.200 -0.441 0.000 1.116 228 S HN 0.414 nan 8.310 nan 0.000 0.472 229 P HA -0.157 nan 4.420 nan 0.000 0.218 229 P C 0.610 177.687 177.300 -0.373 0.000 1.148 229 P CA 1.603 64.483 63.100 -0.368 0.000 0.822 229 P CB -0.563 30.975 31.700 -0.270 0.000 0.784 230 N N -1.455 117.055 118.700 -0.316 0.000 2.383 230 N HA 0.030 4.769 4.740 -0.001 0.000 0.192 230 N C 0.113 175.396 175.510 -0.378 0.000 1.141 230 N CA -0.356 52.537 53.050 -0.262 0.000 0.851 230 N CB -0.684 37.767 38.487 -0.061 0.000 0.976 230 N HN -0.061 nan 8.380 nan 0.000 0.465 231 C N 2.558 121.518 119.300 -0.567 0.000 2.634 231 C HA 0.059 4.518 4.460 -0.001 0.000 0.417 231 C C -0.129 174.376 174.990 -0.809 0.000 1.334 231 C CA -1.121 57.420 59.018 -0.794 0.000 1.829 231 C CB 0.925 27.875 27.740 -1.316 0.000 2.665 231 C HN 0.440 nan 8.230 nan 0.000 0.614 232 P HA -0.129 nan 4.420 nan 0.000 0.221 232 P C 1.221 178.327 177.300 -0.323 0.000 1.145 232 P CA 1.912 64.740 63.100 -0.453 0.000 0.795 232 P CB -0.091 31.342 31.700 -0.445 0.000 0.775 233 W N -1.209 119.963 121.300 -0.214 0.000 3.114 233 W HA 0.528 5.188 4.660 -0.000 0.000 0.279 233 W C 1.337 177.900 176.519 0.074 0.000 1.277 233 W CA 0.360 57.651 57.345 -0.090 0.000 1.630 233 W CB -1.170 28.252 29.460 -0.064 0.000 1.087 233 W HN -0.117 nan 8.180 nan 0.000 0.637 234 A N 1.458 123.938 122.820 -0.566 0.000 2.167 234 A HA 0.129 4.449 4.320 -0.001 0.000 0.214 234 A C 1.058 178.471 177.584 -0.283 0.000 1.151 234 A CA 1.267 53.083 52.037 -0.369 0.000 0.735 234 A CB -0.581 17.960 19.000 -0.765 0.000 0.802 234 A HN 0.248 nan 8.150 nan 0.000 0.467 235 S N -1.996 113.534 115.700 -0.283 0.000 2.588 235 S HA 0.638 5.107 4.470 -0.001 0.000 0.269 235 S C -0.818 173.661 174.600 -0.202 0.000 1.157 235 S CA -0.102 57.929 58.200 -0.282 0.000 0.824 235 S CB 1.317 64.294 63.200 -0.372 0.000 1.126 235 S HN 1.320 nan 8.310 nan 0.000 0.464 236 V N -1.029 118.785 119.914 -0.166 0.000 3.130 236 V HA 0.942 5.061 4.120 -0.001 0.000 0.310 236 V C 0.172 176.199 176.094 -0.111 0.000 1.158 236 V CA -0.460 61.766 62.300 -0.123 0.000 1.029 236 V CB 1.153 32.919 31.823 -0.095 0.000 1.057 236 V HN 1.505 nan 8.190 nan 0.000 0.436 237 S N 0.746 116.390 115.700 -0.093 0.000 2.624 237 S HA 0.344 4.814 4.470 -0.001 0.000 0.263 237 S C 1.310 175.867 174.600 -0.071 0.000 1.287 237 S CA 0.016 58.165 58.200 -0.085 0.000 0.990 237 S CB 1.237 64.396 63.200 -0.069 0.000 0.950 237 S HN 2.088 nan 8.310 nan 0.000 0.561 238 V N -1.205 118.656 119.914 -0.088 0.000 2.490 238 V HA -0.004 4.116 4.120 -0.001 0.000 0.250 238 V C 2.560 178.643 176.094 -0.018 0.000 1.061 238 V CA 1.640 63.895 62.300 -0.074 0.000 1.064 238 V CB -2.081 29.632 31.823 -0.183 0.000 0.670 238 V HN 0.995 nan 8.190 nan 0.000 0.461 239 A N 0.767 123.572 122.820 -0.025 0.000 1.873 239 A HA -0.200 4.120 4.320 -0.001 0.000 0.215 239 A C 2.229 179.799 177.584 -0.024 0.000 1.186 239 A CA 2.000 54.029 52.037 -0.013 0.000 0.616 239 A CB -0.649 18.341 19.000 -0.016 0.000 0.823 239 A HN 0.627 nan 8.150 nan 0.000 0.442 240 E N 0.104 120.279 120.200 -0.041 0.000 2.106 240 E HA -0.021 4.329 4.350 -0.001 0.000 0.192 240 E C 1.948 178.517 176.600 -0.052 0.000 0.984 240 E CA 1.515 57.879 56.400 -0.060 0.000 0.806 240 E CB -0.805 28.850 29.700 -0.076 0.000 0.750 240 E HN 0.386 nan 8.360 nan 0.000 0.458 241 G N 0.668 109.451 108.800 -0.029 0.000 2.418 241 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.217 241 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.217 241 G C 1.759 176.675 174.900 0.028 0.000 1.158 241 G CA 0.853 45.958 45.100 0.009 0.000 0.771 241 G HN 0.322 nan 8.290 nan 0.000 0.545 242 R N 0.289 120.800 120.500 0.018 0.000 2.081 242 R HA 0.010 4.350 4.340 -0.001 0.000 0.235 242 R C 2.558 178.860 176.300 0.003 0.000 1.131 242 R CA 1.366 57.476 56.100 0.017 0.000 0.960 242 R CB -0.367 29.947 30.300 0.022 0.000 0.856 242 R HN 0.316 nan 8.270 nan 0.000 0.436 243 R N 0.435 120.926 120.500 -0.014 0.000 2.091 243 R HA -0.143 4.196 4.340 -0.001 0.000 0.238 243 R C 2.196 178.479 176.300 -0.028 0.000 1.136 243 R CA 1.869 57.952 56.100 -0.029 0.000 0.959 243 R CB -0.087 30.181 30.300 -0.053 0.000 0.856 243 R HN 0.277 nan 8.270 nan 0.000 0.437 244 R N -0.355 120.125 120.500 -0.034 0.000 2.092 244 R HA -0.029 4.310 4.340 -0.001 0.000 0.231 244 R C 2.327 178.685 176.300 0.097 0.000 1.119 244 R CA 1.123 57.201 56.100 -0.036 0.000 0.970 244 R CB -0.240 29.961 30.300 -0.165 0.000 0.864 244 R HN 0.246 nan 8.270 nan 0.000 0.440 245 A N 0.814 123.706 122.820 0.119 0.000 1.902 245 A HA -0.103 4.217 4.320 -0.001 0.000 0.217 245 A C 2.341 179.935 177.584 0.016 0.000 1.181 245 A CA 1.295 53.380 52.037 0.080 0.000 0.623 245 A CB -0.496 18.494 19.000 -0.016 0.000 0.818 245 A HN 0.098 nan 8.150 nan 0.000 0.443 246 V N 0.058 119.975 119.914 0.006 0.000 2.343 246 V HA -0.226 3.894 4.120 -0.001 0.000 0.247 246 V C 2.593 178.691 176.094 0.007 0.000 1.051 246 V CA 2.371 64.670 62.300 -0.002 0.000 1.036 246 V CB -0.714 31.106 31.823 -0.005 0.000 0.654 246 V HN 0.691 nan 8.190 nan 0.000 0.451 247 E N 0.277 120.484 120.200 0.011 0.000 2.110 247 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 247 E C 1.903 178.524 176.600 0.036 0.000 0.988 247 E CA 1.153 57.561 56.400 0.012 0.000 0.804 247 E CB -0.402 29.293 29.700 -0.009 0.000 0.745 247 E HN 0.441 nan 8.360 nan 0.000 0.458 248 L N -0.255 121.009 121.223 0.068 0.000 2.017 248 L HA 0.027 4.367 4.340 -0.001 0.000 0.208 248 L C 2.201 179.094 176.870 0.038 0.000 1.073 248 L CA 2.344 57.237 54.840 0.088 0.000 0.745 248 L CB -1.043 41.100 42.059 0.141 0.000 0.894 248 L HN 0.246 nan 8.230 nan 0.000 0.432 249 G N -1.031 107.776 108.800 0.013 0.000 2.422 249 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.218 249 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.218 249 G C 1.809 176.720 174.900 0.018 0.000 1.146 249 G CA 0.793 45.897 45.100 0.006 0.000 0.769 249 G HN 0.406 nan 8.290 nan 0.000 0.547 250 R N 0.373 120.885 120.500 0.019 0.000 2.096 250 R HA -0.024 4.316 4.340 -0.001 0.000 0.235 250 R C 2.180 178.496 176.300 0.027 0.000 1.127 250 R CA 1.247 57.359 56.100 0.020 0.000 0.968 250 R CB -0.282 30.027 30.300 0.016 0.000 0.861 250 R HN 0.300 nan 8.270 nan 0.000 0.440 251 N N 0.239 118.959 118.700 0.035 0.000 2.396 251 N HA -0.093 4.647 4.740 -0.001 0.000 0.180 251 N C 0.788 176.324 175.510 0.044 0.000 1.028 251 N CA 0.835 53.911 53.050 0.044 0.000 0.893 251 N CB 0.211 38.732 38.487 0.057 0.000 0.967 251 N HN 0.280 nan 8.380 nan 0.000 0.440 252 L N 0.567 121.813 121.223 0.038 0.000 2.872 252 L HA 0.202 4.542 4.340 -0.001 0.000 0.245 252 L C -0.528 176.361 176.870 0.032 0.000 1.211 252 L CA -0.163 54.700 54.840 0.037 0.000 1.013 252 L CB -0.309 41.771 42.059 0.035 0.000 1.326 252 L HN 0.006 nan 8.230 nan 0.000 0.525 253 N N -1.153 117.566 118.700 0.030 0.000 2.725 253 N HA -0.185 4.555 4.740 -0.001 0.000 0.251 253 N C -0.257 175.271 175.510 0.029 0.000 1.031 253 N CA 0.369 53.436 53.050 0.028 0.000 0.720 253 N CB -1.713 36.791 38.487 0.029 0.000 0.930 253 N HN 0.282 nan 8.380 nan 0.000 0.543 254 c N 0.565 119.182 118.600 0.027 0.000 2.398 254 c HA 0.333 4.903 4.570 -0.001 0.000 0.364 254 c C 1.130 175.238 174.090 0.030 0.000 1.219 254 c CA -1.056 55.291 56.329 0.031 0.000 2.312 254 c CB 0.886 43.411 42.510 0.025 0.000 2.428 254 c HN 0.509 nan 8.230 nan 0.000 0.564 255 N N 1.852 120.575 118.700 0.038 0.000 2.442 255 N HA 0.140 4.879 4.740 -0.001 0.000 0.265 255 N C -0.029 175.496 175.510 0.025 0.000 1.138 255 N CA 0.169 53.238 53.050 0.032 0.000 0.956 255 N CB 0.468 38.979 38.487 0.039 0.000 1.067 255 N HN 0.630 nan 8.380 nan 0.000 0.474 256 L N 2.902 124.135 121.223 0.017 0.000 2.741 256 L HA 0.198 4.538 4.340 -0.001 0.000 0.237 256 L C 1.327 178.202 176.870 0.007 0.000 1.178 256 L CA -0.301 54.545 54.840 0.010 0.000 0.973 256 L CB -0.173 41.891 42.059 0.007 0.000 1.255 256 L HN 0.429 nan 8.230 nan 0.000 0.498 257 N N 0.722 119.428 118.700 0.009 0.000 2.289 257 N HA -0.078 4.662 4.740 -0.001 0.000 0.184 257 N C 0.713 176.225 175.510 0.003 0.000 1.016 257 N CA 0.983 54.036 53.050 0.006 0.000 0.872 257 N CB 0.202 38.692 38.487 0.005 0.000 0.973 257 N HN 0.491 nan 8.380 nan 0.000 0.433 258 S N -1.668 114.034 115.700 0.004 0.000 2.587 258 S HA 0.297 4.767 4.470 -0.001 0.000 0.269 258 S C -0.163 174.439 174.600 0.002 0.000 1.154 258 S CA -0.866 57.335 58.200 0.001 0.000 0.824 258 S CB 1.514 64.714 63.200 -0.000 0.000 1.118 258 S HN -0.259 nan 8.310 nan 0.000 0.462 259 D N 1.112 121.510 120.400 -0.003 0.000 2.123 259 D HA -0.055 4.585 4.640 -0.001 0.000 0.196 259 D C 1.552 177.856 176.300 0.007 0.000 0.992 259 D CA 1.880 55.875 54.000 -0.008 0.000 0.833 259 D CB -0.248 40.543 40.800 -0.014 0.000 0.954 259 D HN 0.684 nan 8.370 nan 0.000 0.455 260 E N 0.897 121.106 120.200 0.014 0.000 2.058 260 E HA -0.171 4.178 4.350 -0.001 0.000 0.194 260 E C 2.054 178.689 176.600 0.058 0.000 0.997 260 E CA 1.096 57.514 56.400 0.030 0.000 0.801 260 E CB -0.255 29.451 29.700 0.011 0.000 0.746 260 E HN 0.471 nan 8.360 nan 0.000 0.450 261 E N -0.019 120.205 120.200 0.041 0.000 2.072 261 E HA -0.142 4.208 4.350 -0.001 0.000 0.191 261 E C 2.034 178.690 176.600 0.093 0.000 0.985 261 E CA 0.676 57.115 56.400 0.065 0.000 0.801 261 E CB -0.147 29.572 29.700 0.032 0.000 0.750 261 E HN 0.092 nan 8.360 nan 0.000 0.452 262 L N 1.410 122.662 121.223 0.047 0.000 1.994 262 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 262 L C 2.085 178.971 176.870 0.026 0.000 1.071 262 L CA 1.648 56.502 54.840 0.023 0.000 0.745 262 L CB -0.386 41.664 42.059 -0.014 0.000 0.892 262 L HN 0.105 nan 8.230 nan 0.000 0.431 263 I N -0.933 119.653 120.570 0.027 0.000 2.208 263 I HA -0.347 3.823 4.170 -0.001 0.000 0.245 263 I C 2.556 178.754 176.117 0.134 0.000 1.097 263 I CA 1.620 62.952 61.300 0.053 0.000 1.363 263 I CB -0.571 37.464 38.000 0.059 0.000 1.051 263 I HN 0.486 nan 8.210 nan 0.000 0.413 264 H N 0.278 119.381 119.070 0.055 0.000 2.319 264 H HA -0.256 4.299 4.556 -0.001 0.000 0.299 264 H C 2.424 177.788 175.328 0.060 0.000 1.092 264 H CA 2.310 58.391 56.048 0.056 0.000 1.302 264 H CB -0.378 29.405 29.762 0.035 0.000 1.373 264 H HN 0.463 nan 8.280 nan 0.000 0.497 265 c N 0.027 118.645 118.600 0.030 0.000 2.436 265 c HA -0.091 4.478 4.570 -0.001 0.000 0.277 265 c C 2.792 176.870 174.090 -0.021 0.000 1.241 265 c CA 1.093 57.412 56.329 -0.015 0.000 1.721 265 c CB -1.438 41.103 42.510 0.051 0.000 2.043 265 c HN 0.679 nan 8.230 nan 0.000 0.472 266 L N 0.238 121.484 121.223 0.039 0.000 2.127 266 L HA -0.122 4.217 4.340 -0.001 0.000 0.211 266 L C 2.928 179.880 176.870 0.137 0.000 1.089 266 L CA 1.559 56.462 54.840 0.106 0.000 0.757 266 L CB -0.690 41.448 42.059 0.133 0.000 0.899 266 L HN 0.371 nan 8.230 nan 0.000 0.434 267 R N -0.448 120.108 120.500 0.095 0.000 2.235 267 R HA -0.077 4.263 4.340 -0.001 0.000 0.213 267 R C 1.844 178.096 176.300 -0.080 0.000 1.059 267 R CA 0.494 56.586 56.100 -0.013 0.000 0.997 267 R CB 0.052 30.342 30.300 -0.017 0.000 0.884 267 R HN 0.312 nan 8.270 nan 0.000 0.462 268 E N 0.602 120.731 120.200 -0.118 0.000 2.371 268 E HA 0.002 4.352 4.350 -0.001 0.000 0.194 268 E C 0.068 176.646 176.600 -0.037 0.000 1.012 268 E CA 0.570 56.905 56.400 -0.108 0.000 0.860 268 E CB 0.267 29.871 29.700 -0.160 0.000 0.811 268 E HN 0.076 nan 8.360 nan 0.000 0.502 269 K N 1.717 122.111 120.400 -0.010 0.000 2.237 269 K HA 0.176 4.495 4.320 -0.001 0.000 0.270 269 K C 0.476 177.103 176.600 0.045 0.000 1.015 269 K CA -0.079 56.222 56.287 0.023 0.000 0.949 269 K CB 0.914 33.437 32.500 0.038 0.000 0.976 269 K HN -0.087 nan 8.250 nan 0.000 0.472 270 K N 2.294 122.728 120.400 0.056 0.000 2.219 270 K HA 0.041 4.360 4.320 -0.001 0.000 0.258 270 K C -1.590 175.092 176.600 0.136 0.000 1.008 270 K CA -1.538 54.792 56.287 0.071 0.000 0.928 270 K CB 0.134 32.667 32.500 0.055 0.000 0.983 270 K HN 0.168 nan 8.250 nan 0.000 0.484 271 P HA -0.236 nan 4.420 nan 0.000 0.215 271 P C 1.126 178.625 177.300 0.331 0.000 1.157 271 P CA 1.312 64.618 63.100 0.343 0.000 0.874 271 P CB 0.244 31.981 31.700 0.061 0.000 0.790 272 Q N 0.061 119.971 119.800 0.183 0.000 2.291 272 Q HA -0.182 4.158 4.340 -0.001 0.000 0.206 272 Q C 1.860 177.959 176.000 0.164 0.000 0.976 272 Q CA 1.581 57.484 55.803 0.168 0.000 0.875 272 Q CB -0.807 27.996 28.738 0.109 0.000 0.927 272 Q HN 0.353 nan 8.270 nan 0.000 0.450 273 E N -0.893 119.391 120.200 0.140 0.000 2.106 273 E HA -0.160 4.190 4.350 -0.001 0.000 0.192 273 E C 1.588 178.257 176.600 0.115 0.000 0.984 273 E CA 0.969 57.437 56.400 0.112 0.000 0.806 273 E CB 0.016 29.766 29.700 0.084 0.000 0.750 273 E HN 0.261 nan 8.360 nan 0.000 0.458 274 L N 0.543 121.836 121.223 0.118 0.000 2.072 274 L HA -0.119 4.221 4.340 -0.001 0.000 0.205 274 L C 2.227 179.174 176.870 0.128 0.000 1.079 274 L CA 1.270 56.144 54.840 0.056 0.000 0.752 274 L CB -0.361 41.627 42.059 -0.120 0.000 0.906 274 L HN 0.119 nan 8.230 nan 0.000 0.436 275 I N -0.340 120.365 120.570 0.225 0.000 2.264 275 I HA -0.296 3.873 4.170 -0.001 0.000 0.248 275 I C 1.846 178.143 176.117 0.301 0.000 1.111 275 I CA 1.107 62.586 61.300 0.298 0.000 1.382 275 I CB -0.435 37.779 38.000 0.357 0.000 1.060 275 I HN 0.268 nan 8.210 nan 0.000 0.418 276 D N 0.292 120.837 120.400 0.243 0.000 2.263 276 D HA -0.113 4.527 4.640 -0.001 0.000 0.208 276 D C 1.855 178.289 176.300 0.223 0.000 0.971 276 D CA 1.424 55.563 54.000 0.232 0.000 0.867 276 D CB 0.086 40.985 40.800 0.165 0.000 0.929 276 D HN 0.406 nan 8.370 nan 0.000 0.492 277 V N -2.660 117.367 119.914 0.188 0.000 3.477 277 V HA 0.200 4.320 4.120 -0.001 0.000 0.297 277 V C 1.750 177.938 176.094 0.156 0.000 1.433 277 V CA -0.039 62.360 62.300 0.164 0.000 1.052 277 V CB 0.362 32.256 31.823 0.118 0.000 0.895 277 V HN -0.069 nan 8.190 nan 0.000 0.438 278 E N 0.969 121.258 120.200 0.148 0.000 2.114 278 E HA -0.282 4.067 4.350 -0.001 0.000 0.199 278 E C 1.509 178.023 176.600 -0.143 0.000 1.008 278 E CA 2.689 59.122 56.400 0.054 0.000 0.810 278 E CB -0.240 29.430 29.700 -0.049 0.000 0.739 278 E HN 0.812 nan 8.360 nan 0.000 0.456 279 W N 0.675 121.984 121.300 0.015 0.000 2.937 279 W HA 0.059 4.719 4.660 -0.001 0.000 0.245 279 W C 1.507 177.999 176.519 -0.045 0.000 1.306 279 W CA -0.073 57.235 57.345 -0.062 0.000 1.470 279 W CB 0.087 29.479 29.460 -0.113 0.000 1.132 279 W HN 0.089 nan 8.180 nan 0.000 0.675 280 N N 0.090 118.882 118.700 0.152 0.000 2.467 280 N HA -0.077 4.662 4.740 -0.001 0.000 0.184 280 N C 1.675 177.201 175.510 0.025 0.000 1.106 280 N CA 1.181 54.286 53.050 0.093 0.000 0.892 280 N CB -0.324 38.216 38.487 0.089 0.000 0.969 280 N HN 0.242 nan 8.380 nan 0.000 0.454 281 V N -2.134 117.762 119.914 -0.029 0.000 3.647 281 V HA 0.264 4.384 4.120 -0.001 0.000 0.279 281 V C 0.718 176.726 176.094 -0.144 0.000 1.314 281 V CA -0.128 62.117 62.300 -0.092 0.000 1.125 281 V CB -0.672 31.071 31.823 -0.134 0.000 0.907 281 V HN -0.025 nan 8.190 nan 0.000 0.434 282 L N 2.417 123.577 121.223 -0.105 0.000 2.456 282 L HA 0.225 4.564 4.340 -0.001 0.000 0.272 282 L C -0.279 176.496 176.870 -0.159 0.000 1.189 282 L CA -0.897 53.874 54.840 -0.114 0.000 0.846 282 L CB 0.706 42.762 42.059 -0.006 0.000 1.111 282 L HN 0.158 nan 8.230 nan 0.000 0.475 283 P HA -0.038 nan 4.420 nan 0.000 0.222 283 P C -0.179 176.770 177.300 -0.585 0.000 1.153 283 P CA 1.113 63.882 63.100 -0.551 0.000 0.798 283 P CB 0.307 31.475 31.700 -0.886 0.000 0.796 284 F N -0.435 119.519 119.950 0.006 0.000 2.611 284 F HA 0.392 4.919 4.527 -0.001 0.000 0.324 284 F C 0.390 176.200 175.800 0.016 0.000 1.061 284 F CA -1.717 56.291 58.000 0.014 0.000 0.954 284 F CB 0.199 39.213 39.000 0.022 0.000 1.301 284 F HN -0.355 nan 8.300 nan 0.000 0.482 285 D N 1.273 121.817 120.400 0.240 0.000 2.338 285 D HA 0.410 5.050 4.640 -0.001 0.000 0.255 285 D C -0.633 175.741 176.300 0.123 0.000 1.237 285 D CA 0.393 54.470 54.000 0.128 0.000 0.883 285 D CB 0.333 41.185 40.800 0.087 0.000 1.087 285 D HN 0.622 nan 8.370 nan 0.000 0.485 286 S N 2.741 118.505 115.700 0.106 0.000 2.688 286 S HA 0.743 5.212 4.470 -0.001 0.000 0.275 286 S C -0.362 174.273 174.600 0.059 0.000 1.175 286 S CA -1.007 57.246 58.200 0.087 0.000 0.818 286 S CB 0.793 64.075 63.200 0.138 0.000 1.157 286 S HN 0.473 nan 8.310 nan 0.000 0.482 287 I N -3.266 117.337 120.570 0.055 0.000 2.934 287 I HA 0.795 4.965 4.170 -0.001 0.000 0.306 287 I C -0.443 175.719 176.117 0.075 0.000 1.110 287 I CA -1.124 60.215 61.300 0.064 0.000 1.019 287 I CB 1.458 39.504 38.000 0.075 0.000 1.227 287 I HN 0.770 nan 8.210 nan 0.000 0.434 288 F N 1.908 121.764 119.950 -0.157 0.000 3.080 288 F HA -0.173 4.354 4.527 -0.001 0.000 0.292 288 F C -0.397 174.931 175.800 -0.786 0.000 0.891 288 F CA 0.589 58.260 58.000 -0.548 0.000 1.086 288 F CB -0.618 38.003 39.000 -0.632 0.000 1.095 288 F HN 0.612 nan 8.300 nan 0.000 0.633 289 R N 0.617 120.775 120.500 -0.571 0.000 2.538 289 R HA 0.553 4.893 4.340 -0.001 0.000 0.292 289 R C -0.976 175.031 176.300 -0.488 0.000 1.008 289 R CA -0.517 55.305 56.100 -0.463 0.000 0.896 289 R CB 1.138 31.398 30.300 -0.068 0.000 1.187 289 R HN -0.020 nan 8.270 nan 0.000 0.440 290 F N -0.391 119.690 119.950 0.219 0.000 2.508 290 F HA 0.380 4.907 4.527 -0.001 0.000 0.325 290 F C 1.666 177.389 175.800 -0.129 0.000 1.090 290 F CA -0.898 57.140 58.000 0.063 0.000 0.945 290 F CB 1.568 40.724 39.000 0.261 0.000 1.156 290 F HN 0.350 nan 8.300 nan 0.000 0.463 291 S N 0.792 116.339 115.700 -0.255 0.000 2.351 291 S HA -0.084 4.385 4.470 -0.001 0.000 0.220 291 S C 0.112 174.270 174.600 -0.738 0.000 1.035 291 S CA 1.299 59.138 58.200 -0.603 0.000 1.031 291 S CB -0.284 62.361 63.200 -0.927 0.000 0.928 291 S HN 0.348 nan 8.310 nan 0.000 0.433 292 F N 1.608 121.574 119.950 0.026 0.000 2.347 292 F HA 0.564 5.090 4.527 -0.001 0.000 0.366 292 F C 0.077 175.907 175.800 0.050 0.000 1.107 292 F CA -1.025 57.026 58.000 0.085 0.000 1.058 292 F CB 1.097 40.183 39.000 0.143 0.000 1.236 292 F HN -0.069 nan 8.300 nan 0.000 0.456 293 V N 0.854 120.765 119.914 -0.005 0.000 3.167 293 V HA 0.763 4.882 4.120 -0.001 0.000 0.310 293 V C -2.913 172.880 176.094 -0.502 0.000 1.207 293 V CA -3.329 58.652 62.300 -0.532 0.000 1.059 293 V CB 1.983 33.649 31.823 -0.262 0.000 1.079 293 V HN 0.263 nan 8.190 nan 0.000 0.446 294 P HA 0.186 nan 4.420 nan 0.000 0.266 294 P C -0.827 176.401 177.300 -0.120 0.000 1.193 294 P CA 0.394 63.311 63.100 -0.304 0.000 0.770 294 P CB 0.610 32.074 31.700 -0.393 0.000 0.836 295 V N 4.628 124.564 119.914 0.038 0.000 2.628 295 V HA 0.330 4.450 4.120 -0.001 0.000 0.306 295 V C -0.378 175.773 176.094 0.095 0.000 1.045 295 V CA -0.979 61.331 62.300 0.017 0.000 0.905 295 V CB 1.306 33.149 31.823 0.035 0.000 0.997 295 V HN 0.236 nan 8.190 nan 0.000 0.436 296 I N 6.958 127.516 120.570 -0.021 0.000 2.357 296 I HA 0.199 4.368 4.170 -0.001 0.000 0.300 296 I C 0.956 177.083 176.117 0.016 0.000 1.159 296 I CA 0.183 61.494 61.300 0.019 0.000 1.339 296 I CB -0.109 37.822 38.000 -0.115 0.000 1.458 296 I HN 0.824 nan 8.210 nan 0.000 0.577 297 D N 3.323 123.792 120.400 0.115 0.000 2.354 297 D HA 0.038 4.677 4.640 -0.001 0.000 0.209 297 D C 1.433 177.735 176.300 0.003 0.000 1.015 297 D CA 0.793 54.763 54.000 -0.051 0.000 0.867 297 D CB 0.371 41.226 40.800 0.091 0.000 0.933 297 D HN 0.640 nan 8.370 nan 0.000 0.520 298 G N 0.272 109.134 108.800 0.105 0.000 2.176 298 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.253 298 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.253 298 G C 0.723 175.693 174.900 0.116 0.000 0.979 298 G CA 0.624 45.786 45.100 0.103 0.000 0.641 298 G HN 0.480 nan 8.290 nan 0.000 0.530 299 E N -1.524 118.758 120.200 0.136 0.000 2.941 299 E HA 0.374 4.724 4.350 -0.001 0.000 0.180 299 E C 1.746 178.376 176.600 0.050 0.000 1.130 299 E CA -0.194 56.265 56.400 0.099 0.000 1.243 299 E CB -0.074 29.704 29.700 0.129 0.000 1.582 299 E HN 0.201 nan 8.360 nan 0.000 0.499 300 F N 0.999 120.875 119.950 -0.122 0.000 2.171 300 F HA -0.020 4.506 4.527 -0.001 0.000 0.300 300 F C 0.178 175.688 175.800 -0.483 0.000 1.090 300 F CA 1.105 58.896 58.000 -0.349 0.000 1.293 300 F CB 0.313 38.999 39.000 -0.523 0.000 1.013 300 F HN -0.119 nan 8.300 nan 0.000 0.486 301 F N 0.868 120.965 119.950 0.245 0.000 2.366 301 F HA 0.365 4.892 4.527 -0.001 0.000 0.366 301 F C -1.637 174.203 175.800 0.067 0.000 1.096 301 F CA -2.989 55.095 58.000 0.140 0.000 1.060 301 F CB 0.563 39.644 39.000 0.135 0.000 1.282 301 F HN -0.238 nan 8.300 nan 0.000 0.450 302 P HA -0.132 nan 4.420 nan 0.000 0.216 302 P C 0.481 177.841 177.300 0.100 0.000 1.157 302 P CA 1.891 65.051 63.100 0.100 0.000 0.880 302 P CB 0.166 31.901 31.700 0.058 0.000 0.791 303 T N -6.357 108.264 114.554 0.112 0.000 2.669 303 T HA 0.481 4.830 4.350 -0.001 0.000 0.283 303 T C -0.242 174.498 174.700 0.066 0.000 1.019 303 T CA -0.687 61.456 62.100 0.072 0.000 1.039 303 T CB 0.793 69.690 68.868 0.047 0.000 1.374 303 T HN 0.001 nan 8.240 nan 0.000 0.523 304 S N 0.107 115.821 115.700 0.023 0.000 2.558 304 S HA 0.122 4.591 4.470 -0.001 0.000 0.287 304 S C 1.521 176.118 174.600 -0.006 0.000 1.321 304 S CA -0.664 57.527 58.200 -0.016 0.000 1.048 304 S CB -0.415 62.774 63.200 -0.019 0.000 0.844 304 S HN 0.661 nan 8.310 nan 0.000 0.512 305 L N 0.585 121.765 121.223 -0.071 0.000 2.042 305 L HA -0.126 4.214 4.340 -0.001 0.000 0.210 305 L C 2.920 179.819 176.870 0.048 0.000 1.076 305 L CA 2.004 56.819 54.840 -0.041 0.000 0.749 305 L CB -0.788 41.184 42.059 -0.145 0.000 0.893 305 L HN 0.814 nan 8.230 nan 0.000 0.432 306 E N 0.659 120.885 120.200 0.043 0.000 2.077 306 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 306 E C 2.261 178.921 176.600 0.100 0.000 0.989 306 E CA 1.652 58.113 56.400 0.101 0.000 0.800 306 E CB -0.068 29.681 29.700 0.082 0.000 0.746 306 E HN 0.477 nan 8.360 nan 0.000 0.452 307 S N -0.490 115.251 115.700 0.068 0.000 2.402 307 S HA -0.147 4.323 4.470 -0.001 0.000 0.229 307 S C 2.108 176.750 174.600 0.071 0.000 1.021 307 S CA 1.204 59.441 58.200 0.061 0.000 0.974 307 S CB -0.338 62.885 63.200 0.039 0.000 0.800 307 S HN 0.250 nan 8.310 nan 0.000 0.484 308 M N 0.917 120.574 119.600 0.096 0.000 2.132 308 M HA 0.071 4.551 4.480 -0.001 0.000 0.263 308 M C 2.229 178.658 176.300 0.216 0.000 1.065 308 M CA 1.340 56.718 55.300 0.130 0.000 1.122 308 M CB -0.611 32.097 32.600 0.180 0.000 1.365 308 M HN 0.300 nan 8.290 nan 0.000 0.411 309 L N -0.125 121.243 121.223 0.242 0.000 2.046 309 L HA -0.234 4.105 4.340 -0.001 0.000 0.208 309 L C 2.189 179.235 176.870 0.293 0.000 1.077 309 L CA 1.241 56.266 54.840 0.308 0.000 0.747 309 L CB -0.723 41.424 42.059 0.147 0.000 0.896 309 L HN 0.367 nan 8.230 nan 0.000 0.432 310 N N -0.296 118.513 118.700 0.182 0.000 2.188 310 N HA -0.169 4.570 4.740 -0.001 0.000 0.184 310 N C 1.858 177.455 175.510 0.144 0.000 1.018 310 N CA 1.400 54.554 53.050 0.174 0.000 0.858 310 N CB 0.064 38.626 38.487 0.125 0.000 0.989 310 N HN 0.281 nan 8.380 nan 0.000 0.426 311 S N -1.663 114.040 115.700 0.004 0.000 2.593 311 S HA 0.230 4.699 4.470 -0.001 0.000 0.217 311 S C 1.360 175.613 174.600 -0.579 0.000 0.966 311 S CA 0.364 58.480 58.200 -0.141 0.000 0.914 311 S CB -0.165 62.971 63.200 -0.107 0.000 0.776 311 S HN 0.467 nan 8.310 nan 0.000 0.523 312 G N 1.893 110.152 108.800 -0.903 0.000 2.147 312 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.244 312 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.244 312 G C -0.027 174.007 174.900 -1.443 0.000 1.005 312 G CA 0.076 43.939 45.100 -2.060 0.000 0.713 312 G HN 0.612 nan 8.290 nan 0.000 0.515 313 N N 0.625 118.918 118.700 -0.679 0.000 2.895 313 N HA 0.517 5.256 4.740 -0.001 0.000 0.277 313 N C -0.142 175.313 175.510 -0.092 0.000 1.185 313 N CA -0.180 52.667 53.050 -0.339 0.000 1.106 313 N CB -0.851 37.564 38.487 -0.120 0.000 1.422 313 N HN 0.712 nan 8.380 nan 0.000 0.521 314 F N -1.181 118.713 119.950 -0.094 0.000 2.807 314 F HA 0.406 4.933 4.527 -0.000 0.000 0.316 314 F C -0.381 175.435 175.800 0.027 0.000 1.162 314 F CA -1.452 56.563 58.000 0.026 0.000 0.910 314 F CB 0.615 39.697 39.000 0.138 0.000 1.314 314 F HN -0.149 nan 8.300 nan 0.000 0.454 315 K N 1.911 122.564 120.400 0.420 0.000 2.416 315 K HA 0.204 4.524 4.320 -0.001 0.000 0.283 315 K C -0.982 175.872 176.600 0.424 0.000 1.037 315 K CA -0.183 56.262 56.287 0.264 0.000 0.995 315 K CB 0.493 33.086 32.500 0.156 0.000 0.938 315 K HN 0.742 nan 8.250 nan 0.000 0.475 316 K N 3.285 123.808 120.400 0.205 0.000 2.281 316 K HA 0.165 4.485 4.320 -0.001 0.000 0.272 316 K C -0.272 176.445 176.600 0.196 0.000 1.048 316 K CA -0.386 56.021 56.287 0.200 0.000 0.898 316 K CB 1.762 34.283 32.500 0.036 0.000 1.128 316 K HN 0.646 nan 8.250 nan 0.000 0.460 317 T N 1.381 116.133 114.554 0.330 0.000 2.630 317 T HA 0.204 4.553 4.350 -0.001 0.000 0.300 317 T C -1.493 173.401 174.700 0.323 0.000 1.261 317 T CA -0.618 61.627 62.100 0.240 0.000 1.060 317 T CB 0.946 69.922 68.868 0.181 0.000 1.670 317 T HN 0.411 nan 8.240 nan 0.000 0.473 318 Q N 1.058 121.015 119.800 0.260 0.000 2.222 318 Q HA 0.758 5.097 4.340 -0.001 0.000 0.252 318 Q C -0.373 175.919 176.000 0.487 0.000 0.926 318 Q CA -0.485 55.528 55.803 0.350 0.000 0.899 318 Q CB 1.421 30.340 28.738 0.301 0.000 1.250 318 Q HN 0.679 nan 8.270 nan 0.000 0.441 319 I N -1.407 119.401 120.570 0.397 0.000 2.769 319 I HA 0.706 4.876 4.170 -0.001 0.000 0.298 319 I C -1.562 174.426 176.117 -0.215 0.000 1.128 319 I CA -1.393 60.002 61.300 0.158 0.000 1.031 319 I CB 1.899 39.822 38.000 -0.128 0.000 1.235 319 I HN 0.559 nan 8.210 nan 0.000 0.423 320 L N 6.810 127.683 121.223 -0.583 0.000 2.381 320 L HA 0.790 5.130 4.340 -0.001 0.000 0.274 320 L C -1.352 175.311 176.870 -0.344 0.000 0.988 320 L CA -0.522 53.876 54.840 -0.737 0.000 0.824 320 L CB 1.673 42.792 42.059 -1.568 0.000 1.263 320 L HN 0.848 nan 8.230 nan 0.000 0.410 321 L N 2.353 123.495 121.223 -0.134 0.000 2.600 321 L HA 1.113 5.452 4.340 -0.001 0.000 0.257 321 L C -0.785 175.877 176.870 -0.346 0.000 1.048 321 L CA -0.453 54.333 54.840 -0.091 0.000 0.869 321 L CB 1.927 43.924 42.059 -0.104 0.000 1.482 321 L HN 0.670 nan 8.230 nan 0.000 0.408 322 G N -0.158 108.229 108.800 -0.688 0.000 2.430 322 G HA2 0.601 4.560 3.960 -0.001 0.000 0.300 322 G HA3 0.601 4.560 3.960 -0.001 0.000 0.300 322 G C -1.514 173.038 174.900 -0.580 0.000 1.330 322 G CA 0.006 44.334 45.100 -1.287 0.000 0.813 322 G HN 1.464 nan 8.290 nan 0.000 0.487 323 V N -2.699 117.048 119.914 -0.278 0.000 3.167 323 V HA 0.773 4.893 4.120 -0.001 0.000 0.310 323 V C -0.497 175.702 176.094 0.174 0.000 1.207 323 V CA -1.385 60.962 62.300 0.077 0.000 1.059 323 V CB 1.597 33.490 31.823 0.117 0.000 1.079 323 V HN 0.842 nan 8.190 nan 0.000 0.446 324 N N 0.164 118.971 118.700 0.179 0.000 2.472 324 N HA 0.372 5.111 4.740 -0.001 0.000 0.289 324 N C 0.437 175.908 175.510 -0.064 0.000 1.156 324 N CA -0.626 52.496 53.050 0.121 0.000 0.940 324 N CB 2.122 40.776 38.487 0.277 0.000 1.200 324 N HN 0.859 nan 8.380 nan 0.000 0.511 325 K N 0.352 120.614 120.400 -0.230 0.000 2.057 325 K HA -0.101 4.218 4.320 -0.001 0.000 0.207 325 K C -0.420 176.278 176.600 0.162 0.000 1.049 325 K CA 1.290 57.539 56.287 -0.062 0.000 0.931 325 K CB 0.204 32.682 32.500 -0.038 0.000 0.714 325 K HN 0.545 nan 8.250 nan 0.000 0.440 326 D N 1.126 121.613 120.400 0.145 0.000 2.795 326 D HA 0.035 4.675 4.640 -0.001 0.000 0.335 326 D C 0.065 176.483 176.300 0.195 0.000 1.262 326 D CA -0.081 54.022 54.000 0.172 0.000 0.885 326 D CB 1.234 42.117 40.800 0.139 0.000 1.047 326 D HN 0.183 nan 8.370 nan 0.000 0.500 327 E N 0.444 120.777 120.200 0.221 0.000 2.160 327 E HA -0.117 4.233 4.350 -0.001 0.000 0.195 327 E C 1.926 178.705 176.600 0.298 0.000 0.991 327 E CA 0.663 57.226 56.400 0.272 0.000 0.810 327 E CB 0.169 30.003 29.700 0.224 0.000 0.742 327 E HN 0.401 nan 8.360 nan 0.000 0.466 328 G N 1.238 110.186 108.800 0.247 0.000 2.777 328 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.211 328 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.211 328 G C 1.699 176.788 174.900 0.315 0.000 1.149 328 G CA 0.714 45.994 45.100 0.300 0.000 0.785 328 G HN 0.347 nan 8.290 nan 0.000 0.536 329 S N 0.710 116.546 115.700 0.227 0.000 2.374 329 S HA -0.204 4.266 4.470 -0.001 0.000 0.227 329 S C 2.087 176.711 174.600 0.040 0.000 1.037 329 S CA 1.311 59.603 58.200 0.153 0.000 1.024 329 S CB -0.606 62.594 63.200 0.001 0.000 0.861 329 S HN 0.323 nan 8.310 nan 0.000 0.456 330 F N 2.218 122.044 119.950 -0.206 0.000 2.095 330 F HA -0.030 4.497 4.527 -0.001 0.000 0.298 330 F C 1.700 177.260 175.800 -0.399 0.000 1.104 330 F CA 1.462 59.178 58.000 -0.474 0.000 1.232 330 F CB -0.479 38.027 39.000 -0.824 0.000 0.987 330 F HN 0.185 nan 8.300 nan 0.000 0.475 331 F N 0.046 119.974 119.950 -0.037 0.000 2.293 331 F HA -0.083 4.443 4.527 -0.001 0.000 0.300 331 F C 2.104 177.817 175.800 -0.145 0.000 1.086 331 F CA 0.816 58.737 58.000 -0.132 0.000 1.375 331 F CB -1.008 37.888 39.000 -0.173 0.000 1.045 331 F HN -0.022 nan 8.300 nan 0.000 0.516 332 L N -0.743 120.460 121.223 -0.033 0.000 2.095 332 L HA -0.141 4.198 4.340 -0.001 0.000 0.204 332 L C 2.447 179.130 176.870 -0.312 0.000 1.080 332 L CA 0.509 55.118 54.840 -0.385 0.000 0.759 332 L CB -0.573 40.977 42.059 -0.849 0.000 0.914 332 L HN 0.163 nan 8.230 nan 0.000 0.439 333 L N -0.907 120.311 121.223 -0.008 0.000 2.012 333 L HA -0.261 4.078 4.340 -0.001 0.000 0.210 333 L C 2.325 179.250 176.870 0.092 0.000 1.073 333 L CA 2.036 57.017 54.840 0.235 0.000 0.748 333 L CB -0.697 41.528 42.059 0.278 0.000 0.891 333 L HN 0.117 nan 8.230 nan 0.000 0.431 334 Y N -0.535 119.635 120.300 -0.216 0.000 2.373 334 Y HA 0.151 4.701 4.550 -0.001 0.000 0.293 334 Y C 2.243 178.055 175.900 -0.145 0.000 1.129 334 Y CA 1.050 59.020 58.100 -0.216 0.000 1.226 334 Y CB -0.252 37.970 38.460 -0.398 0.000 1.000 334 Y HN 0.318 nan 8.280 nan 0.000 0.549 335 G N -1.879 106.936 108.800 0.024 0.000 3.581 335 G HA2 0.466 4.426 3.960 -0.001 0.000 0.248 335 G HA3 0.466 4.426 3.960 -0.001 0.000 0.248 335 G C -0.233 174.673 174.900 0.009 0.000 1.037 335 G CA 0.340 45.440 45.100 0.000 0.000 0.902 335 G HN 0.274 nan 8.290 nan 0.000 0.512 336 A N 1.587 124.413 122.820 0.010 0.000 2.324 336 A HA 0.829 5.149 4.320 -0.001 0.000 0.330 336 A C -2.514 175.212 177.584 0.237 0.000 1.165 336 A CA -1.591 50.492 52.037 0.078 0.000 0.813 336 A CB 1.321 20.297 19.000 -0.040 0.000 1.197 336 A HN 0.056 nan 8.150 nan 0.000 0.484 337 P HA 0.265 nan 4.420 nan 0.000 0.268 337 P C 0.864 178.234 177.300 0.117 0.000 1.204 337 P CA 1.435 64.609 63.100 0.124 0.000 0.768 337 P CB 1.128 32.866 31.700 0.064 0.000 0.842 338 G N 1.799 110.602 108.800 0.004 0.000 2.234 338 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.235 338 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.235 338 G C -0.209 174.479 174.900 -0.352 0.000 0.997 338 G CA -0.452 44.532 45.100 -0.193 0.000 0.623 338 G HN 0.430 nan 8.290 nan 0.000 0.514 339 F N 2.087 121.954 119.950 -0.138 0.000 2.394 339 F HA 0.732 5.258 4.527 -0.001 0.000 0.340 339 F C 0.721 176.489 175.800 -0.053 0.000 1.105 339 F CA -0.261 57.619 58.000 -0.200 0.000 1.124 339 F CB 2.114 41.034 39.000 -0.132 0.000 1.145 339 F HN 0.045 nan 8.300 nan 0.000 0.505 340 S N 1.515 117.298 115.700 0.138 0.000 2.556 340 S HA 0.264 4.734 4.470 -0.001 0.000 0.271 340 S C 0.554 175.360 174.600 0.343 0.000 1.135 340 S CA -1.115 57.200 58.200 0.191 0.000 0.858 340 S CB 2.266 65.508 63.200 0.070 0.000 1.114 340 S HN 0.708 nan 8.310 nan 0.000 0.468 341 K N 0.616 121.166 120.400 0.250 0.000 2.148 341 K HA -0.048 4.272 4.320 -0.001 0.000 0.204 341 K C -0.136 176.523 176.600 0.098 0.000 1.050 341 K CA 1.331 57.696 56.287 0.130 0.000 0.942 341 K CB 0.040 32.315 32.500 -0.376 0.000 0.724 341 K HN 0.461 nan 8.250 nan 0.000 0.446 342 D N 0.509 120.941 120.400 0.054 0.000 2.388 342 D HA 0.023 4.662 4.640 -0.001 0.000 0.221 342 D C -0.076 176.264 176.300 0.067 0.000 1.133 342 D CA 0.114 54.131 54.000 0.028 0.000 0.831 342 D CB 0.750 41.532 40.800 -0.029 0.000 0.962 342 D HN 0.178 nan 8.370 nan 0.000 0.502 343 S N -1.225 114.542 115.700 0.112 0.000 2.709 343 S HA 0.356 4.826 4.470 -0.001 0.000 0.302 343 S C 0.742 175.383 174.600 0.068 0.000 1.127 343 S CA -0.740 57.489 58.200 0.048 0.000 0.905 343 S CB 2.323 65.505 63.200 -0.029 0.000 1.151 343 S HN -0.143 nan 8.310 nan 0.000 0.510 344 E N 0.652 120.844 120.200 -0.013 0.000 2.478 344 E HA 0.070 4.420 4.350 -0.001 0.000 0.198 344 E C -0.344 176.032 176.600 -0.374 0.000 1.046 344 E CA 0.412 56.789 56.400 -0.038 0.000 0.870 344 E CB -0.225 29.464 29.700 -0.018 0.000 0.818 344 E HN 0.695 nan 8.360 nan 0.000 0.527 345 S N 1.139 116.557 115.700 -0.469 0.000 3.631 345 S HA -0.182 4.288 4.470 -0.001 0.000 0.366 345 S C -0.278 173.931 174.600 -0.651 0.000 0.993 345 S CA 0.665 58.428 58.200 -0.728 0.000 1.167 345 S CB -1.182 61.198 63.200 -1.366 0.000 0.909 345 S HN 0.285 nan 8.310 nan 0.000 0.478 346 K N 0.305 120.473 120.400 -0.386 0.000 2.379 346 K HA 0.316 4.636 4.320 -0.001 0.000 0.284 346 K C -0.007 176.396 176.600 -0.328 0.000 1.044 346 K CA -0.150 55.962 56.287 -0.292 0.000 0.974 346 K CB 0.418 32.812 32.500 -0.176 0.000 0.962 346 K HN 0.159 nan 8.250 nan 0.000 0.474 347 I N 2.338 122.718 120.570 -0.317 0.000 2.392 347 I HA 0.030 4.200 4.170 -0.001 0.000 0.295 347 I C 0.567 176.604 176.117 -0.133 0.000 0.985 347 I CA 0.084 61.221 61.300 -0.270 0.000 1.221 347 I CB 1.627 39.443 38.000 -0.306 0.000 1.366 347 I HN 0.642 nan 8.210 nan 0.000 0.467 348 S N 5.572 121.213 115.700 -0.099 0.000 2.624 348 S HA 0.296 4.765 4.470 -0.001 0.000 0.263 348 S C 1.247 175.843 174.600 -0.008 0.000 1.287 348 S CA -0.400 57.764 58.200 -0.059 0.000 0.990 348 S CB 0.843 64.016 63.200 -0.045 0.000 0.950 348 S HN 0.637 nan 8.310 nan 0.000 0.561 349 R N 0.666 121.152 120.500 -0.022 0.000 2.096 349 R HA -0.093 4.246 4.340 -0.001 0.000 0.235 349 R C 1.763 178.127 176.300 0.107 0.000 1.127 349 R CA 1.886 57.991 56.100 0.009 0.000 0.968 349 R CB -0.643 29.639 30.300 -0.030 0.000 0.861 349 R HN 0.800 nan 8.270 nan 0.000 0.440 350 E N 0.456 120.695 120.200 0.064 0.000 2.051 350 E HA -0.157 4.193 4.350 -0.001 0.000 0.192 350 E C 1.581 178.227 176.600 0.076 0.000 0.991 350 E CA 1.680 58.120 56.400 0.066 0.000 0.799 350 E CB -0.250 29.471 29.700 0.034 0.000 0.748 350 E HN 0.366 nan 8.360 nan 0.000 0.449 351 D N -0.645 119.791 120.400 0.060 0.000 2.219 351 D HA -0.104 4.535 4.640 -0.001 0.000 0.205 351 D C 1.559 177.923 176.300 0.107 0.000 0.970 351 D CA 0.388 54.421 54.000 0.056 0.000 0.851 351 D CB -0.216 40.582 40.800 -0.003 0.000 0.943 351 D HN 0.115 nan 8.370 nan 0.000 0.488 352 F N 0.970 120.916 119.950 -0.007 0.000 2.102 352 F HA -0.130 4.396 4.527 -0.001 0.000 0.298 352 F C 2.255 178.072 175.800 0.028 0.000 1.105 352 F CA 1.304 59.312 58.000 0.013 0.000 1.239 352 F CB -0.170 38.815 39.000 -0.025 0.000 0.991 352 F HN -0.164 nan 8.300 nan 0.000 0.474 353 M N -0.657 119.037 119.600 0.157 0.000 2.159 353 M HA -0.205 4.275 4.480 -0.001 0.000 0.263 353 M C 2.263 178.547 176.300 -0.028 0.000 1.063 353 M CA 1.644 56.978 55.300 0.057 0.000 1.110 353 M CB -0.572 32.106 32.600 0.131 0.000 1.374 353 M HN 0.079 nan 8.290 nan 0.000 0.411 354 S N 0.474 116.174 115.700 0.000 0.000 2.368 354 S HA -0.070 4.400 4.470 -0.001 0.000 0.224 354 S C 2.013 176.592 174.600 -0.037 0.000 1.029 354 S CA 1.386 59.583 58.200 -0.006 0.000 0.988 354 S CB -0.693 62.520 63.200 0.021 0.000 0.838 354 S HN 0.684 nan 8.310 nan 0.000 0.462 355 G N 1.298 110.065 108.800 -0.054 0.000 2.418 355 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.217 355 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.217 355 G C 1.449 176.250 174.900 -0.165 0.000 1.158 355 G CA 0.954 46.009 45.100 -0.076 0.000 0.771 355 G HN 0.415 nan 8.290 nan 0.000 0.545 356 V N 0.786 120.536 119.914 -0.273 0.000 2.332 356 V HA -0.184 3.936 4.120 -0.001 0.000 0.248 356 V C 2.672 178.679 176.094 -0.145 0.000 1.055 356 V CA 2.338 64.486 62.300 -0.253 0.000 1.038 356 V CB -0.416 31.243 31.823 -0.273 0.000 0.651 356 V HN 0.446 nan 8.190 nan 0.000 0.450 357 K N -0.261 120.073 120.400 -0.111 0.000 2.097 357 K HA -0.114 4.206 4.320 -0.001 0.000 0.206 357 K C 2.071 178.617 176.600 -0.089 0.000 1.049 357 K CA 1.337 57.566 56.287 -0.096 0.000 0.933 357 K CB -0.156 32.305 32.500 -0.064 0.000 0.717 357 K HN 0.398 nan 8.250 nan 0.000 0.442 358 L N 0.245 121.430 121.223 -0.062 0.000 2.156 358 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 358 L C 2.196 179.048 176.870 -0.029 0.000 1.095 358 L CA 0.938 55.760 54.840 -0.030 0.000 0.770 358 L CB -0.150 41.901 42.059 -0.012 0.000 0.914 358 L HN 0.149 nan 8.230 nan 0.000 0.439 359 S N -0.914 114.750 115.700 -0.059 0.000 2.414 359 S HA -0.002 4.467 4.470 -0.001 0.000 0.227 359 S C 0.966 175.520 174.600 -0.077 0.000 1.022 359 S CA 0.485 58.655 58.200 -0.051 0.000 0.958 359 S CB 0.274 63.420 63.200 -0.089 0.000 0.797 359 S HN 0.158 nan 8.310 nan 0.000 0.493 360 V N 3.069 122.894 119.914 -0.147 0.000 2.454 360 V HA 0.209 4.329 4.120 -0.001 0.000 0.255 360 V C -1.771 174.124 176.094 -0.332 0.000 1.009 360 V CA -1.368 60.765 62.300 -0.278 0.000 1.149 360 V CB 0.720 32.360 31.823 -0.305 0.000 1.418 360 V HN 0.182 nan 8.190 nan 0.000 0.567 361 P HA -0.207 nan 4.420 nan 0.000 0.218 361 P C 1.193 178.038 177.300 -0.758 0.000 1.146 361 P CA 1.657 64.532 63.100 -0.376 0.000 0.813 361 P CB 0.036 31.631 31.700 -0.175 0.000 0.778 362 H N -0.854 117.882 119.070 -0.557 0.000 2.551 362 H HA 0.414 4.970 4.556 -0.001 0.000 0.266 362 H C 0.618 175.778 175.328 -0.280 0.000 0.977 362 H CA -0.034 55.723 56.048 -0.485 0.000 1.163 362 H CB -0.691 28.967 29.762 -0.173 0.000 1.381 362 H HN -0.007 nan 8.280 nan 0.000 0.581 363 A N 2.380 124.821 122.820 -0.631 0.000 2.340 363 A HA 0.264 4.584 4.320 -0.001 0.000 0.268 363 A C 0.338 177.779 177.584 -0.239 0.000 1.100 363 A CA -0.436 51.359 52.037 -0.404 0.000 0.803 363 A CB 0.401 19.162 19.000 -0.398 0.000 1.043 363 A HN 0.651 nan 8.150 nan 0.000 0.488 364 N N 0.970 119.576 118.700 -0.157 0.000 2.405 364 N HA 0.120 4.859 4.740 -0.001 0.000 0.269 364 N C 0.090 175.551 175.510 -0.083 0.000 1.249 364 N CA -0.399 52.590 53.050 -0.101 0.000 0.974 364 N CB 0.190 38.635 38.487 -0.070 0.000 1.204 364 N HN 0.516 nan 8.380 nan 0.000 0.565 365 D N -0.692 119.678 120.400 -0.051 0.000 2.133 365 D HA -0.157 4.482 4.640 -0.001 0.000 0.195 365 D C 1.702 177.993 176.300 -0.014 0.000 0.997 365 D CA 1.045 55.029 54.000 -0.028 0.000 0.840 365 D CB -0.130 40.662 40.800 -0.013 0.000 0.947 365 D HN 0.401 nan 8.370 nan 0.000 0.452 366 L N 1.190 122.402 121.223 -0.019 0.000 2.046 366 L HA -0.022 4.317 4.340 -0.001 0.000 0.208 366 L C 2.316 179.186 176.870 0.000 0.000 1.077 366 L CA 2.115 56.954 54.840 -0.002 0.000 0.747 366 L CB -0.949 41.101 42.059 -0.015 0.000 0.896 366 L HN 0.027 nan 8.230 nan 0.000 0.432 367 G N -0.433 108.340 108.800 -0.046 0.000 2.440 367 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.218 367 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.218 367 G C 1.600 176.493 174.900 -0.012 0.000 1.154 367 G CA 1.122 46.184 45.100 -0.062 0.000 0.767 367 G HN 0.440 nan 8.290 nan 0.000 0.552 368 L N 0.407 121.613 121.223 -0.029 0.000 2.083 368 L HA -0.061 4.279 4.340 -0.001 0.000 0.209 368 L C 2.491 179.397 176.870 0.060 0.000 1.083 368 L CA 1.110 55.947 54.840 -0.005 0.000 0.752 368 L CB -0.385 41.657 42.059 -0.028 0.000 0.899 368 L HN 0.096 nan 8.230 nan 0.000 0.433 369 D N 0.294 120.737 120.400 0.071 0.000 2.117 369 D HA -0.149 4.491 4.640 -0.001 0.000 0.197 369 D C 2.247 178.634 176.300 0.144 0.000 0.987 369 D CA 1.485 55.551 54.000 0.109 0.000 0.829 369 D CB -0.019 40.833 40.800 0.088 0.000 0.961 369 D HN 0.305 nan 8.370 nan 0.000 0.460 370 A N 0.628 123.548 122.820 0.166 0.000 1.877 370 A HA -0.148 4.172 4.320 -0.001 0.000 0.216 370 A C 2.550 180.253 177.584 0.199 0.000 1.186 370 A CA 1.359 53.558 52.037 0.269 0.000 0.620 370 A CB -0.771 18.477 19.000 0.414 0.000 0.822 370 A HN 0.148 nan 8.150 nan 0.000 0.443 371 V N -0.318 119.717 119.914 0.201 0.000 2.295 371 V HA -0.226 3.894 4.120 -0.001 0.000 0.246 371 V C 2.747 178.925 176.094 0.140 0.000 1.049 371 V CA 2.468 64.814 62.300 0.078 0.000 1.024 371 V CB -1.354 30.537 31.823 0.113 0.000 0.648 371 V HN 0.605 nan 8.190 nan 0.000 0.447 372 T N 0.639 115.304 114.554 0.185 0.000 2.684 372 T HA -0.222 4.128 4.350 -0.001 0.000 0.267 372 T C 1.890 176.755 174.700 0.275 0.000 1.036 372 T CA 1.993 64.281 62.100 0.313 0.000 1.148 372 T CB -0.382 68.669 68.868 0.306 0.000 0.863 372 T HN 0.295 nan 8.240 nan 0.000 0.436 373 L N 1.108 122.456 121.223 0.209 0.000 2.093 373 L HA 0.001 4.341 4.340 -0.001 0.000 0.208 373 L C 2.460 179.353 176.870 0.038 0.000 1.085 373 L CA 1.748 56.709 54.840 0.203 0.000 0.755 373 L CB -0.825 41.330 42.059 0.161 0.000 0.904 373 L HN 0.107 nan 8.230 nan 0.000 0.435 374 Q N -1.184 118.543 119.800 -0.122 0.000 2.170 374 Q HA -0.191 4.149 4.340 -0.001 0.000 0.203 374 Q C 0.994 176.755 176.000 -0.398 0.000 0.976 374 Q CA 1.870 57.431 55.803 -0.403 0.000 0.858 374 Q CB -0.199 27.969 28.738 -0.950 0.000 0.907 374 Q HN 0.679 nan 8.270 nan 0.000 0.433 375 Y N -1.158 119.098 120.300 -0.074 0.000 2.584 375 Y HA 0.351 4.901 4.550 -0.001 0.000 0.254 375 Y C -0.286 175.586 175.900 -0.046 0.000 1.177 375 Y CA -0.227 57.890 58.100 0.028 0.000 1.216 375 Y CB 0.937 39.516 38.460 0.199 0.000 1.172 375 Y HN -0.193 nan 8.280 nan 0.000 0.529 376 T N 0.682 115.192 114.554 -0.073 0.000 2.779 376 T HA 0.106 4.456 4.350 -0.001 0.000 0.280 376 T C -0.896 173.544 174.700 -0.435 0.000 0.987 376 T CA -0.662 61.185 62.100 -0.420 0.000 0.966 376 T CB 1.048 69.497 68.868 -0.699 0.000 0.933 376 T HN -0.006 nan 8.240 nan 0.000 0.442 377 D N 2.105 122.250 120.400 -0.425 0.000 2.441 377 D HA 0.112 4.751 4.640 -0.001 0.000 0.221 377 D C 0.089 176.192 176.300 -0.329 0.000 1.156 377 D CA -0.741 53.102 54.000 -0.261 0.000 0.896 377 D CB 0.324 41.019 40.800 -0.175 0.000 1.028 377 D HN 0.609 nan 8.370 nan 0.000 0.509 378 W N 3.058 124.316 121.300 -0.070 0.000 2.848 378 W HA 0.015 4.674 4.660 -0.001 0.000 0.241 378 W C 1.845 178.333 176.519 -0.052 0.000 1.289 378 W CA 0.000 57.308 57.345 -0.062 0.000 1.396 378 W CB 0.017 29.447 29.460 -0.051 0.000 1.138 378 W HN 0.419 nan 8.180 nan 0.000 0.677 379 M N -1.087 118.571 119.600 0.097 0.000 2.509 379 M HA 0.064 4.544 4.480 -0.001 0.000 0.250 379 M C 0.135 176.443 176.300 0.012 0.000 1.132 379 M CA 1.036 56.374 55.300 0.062 0.000 1.080 379 M CB 0.273 32.892 32.600 0.032 0.000 1.408 379 M HN -0.233 nan 8.290 nan 0.000 0.484 380 D N 0.388 120.759 120.400 -0.048 0.000 3.453 380 D HA -0.001 4.638 4.640 -0.001 0.000 0.312 380 D C 0.278 176.471 176.300 -0.177 0.000 1.349 380 D CA 0.034 53.984 54.000 -0.083 0.000 0.739 380 D CB 0.267 41.024 40.800 -0.072 0.000 1.312 380 D HN 0.211 nan 8.370 nan 0.000 0.628 381 D N -0.739 119.523 120.400 -0.230 0.000 2.350 381 D HA -0.124 4.516 4.640 -0.001 0.000 0.216 381 D C 0.495 176.611 176.300 -0.307 0.000 0.968 381 D CA 0.256 54.001 54.000 -0.424 0.000 0.894 381 D CB 0.199 40.626 40.800 -0.623 0.000 0.909 381 D HN 0.157 nan 8.370 nan 0.000 0.520 382 N N 0.513 119.109 118.700 -0.175 0.000 2.235 382 N HA -0.013 4.726 4.740 -0.001 0.000 0.209 382 N C -0.322 175.114 175.510 -0.123 0.000 1.122 382 N CA -0.162 52.809 53.050 -0.132 0.000 0.845 382 N CB 0.030 38.473 38.487 -0.073 0.000 1.004 382 N HN 0.352 nan 8.380 nan 0.000 0.499 383 N N 0.153 118.767 118.700 -0.142 0.000 2.399 383 N HA 0.071 4.810 4.740 -0.001 0.000 0.259 383 N C 1.492 176.929 175.510 -0.122 0.000 1.160 383 N CA -0.258 52.724 53.050 -0.113 0.000 0.946 383 N CB 0.656 39.080 38.487 -0.105 0.000 1.156 383 N HN 0.055 nan 8.380 nan 0.000 0.489 384 G N 3.631 112.369 108.800 -0.105 0.000 2.442 384 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.219 384 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.219 384 G C 1.285 176.122 174.900 -0.105 0.000 1.141 384 G CA 0.610 45.641 45.100 -0.116 0.000 0.763 384 G HN 0.662 nan 8.290 nan 0.000 0.554 385 I N -0.055 120.471 120.570 -0.072 0.000 2.286 385 I HA -0.084 4.085 4.170 -0.001 0.000 0.245 385 I C 2.773 178.886 176.117 -0.007 0.000 1.104 385 I CA 0.986 62.266 61.300 -0.033 0.000 1.397 385 I CB -0.137 37.858 38.000 -0.008 0.000 1.072 385 I HN 0.114 nan 8.210 nan 0.000 0.417 386 K N 0.794 121.172 120.400 -0.036 0.000 2.097 386 K HA -0.126 4.193 4.320 -0.001 0.000 0.205 386 K C 1.779 178.359 176.600 -0.034 0.000 1.050 386 K CA 1.476 57.742 56.287 -0.034 0.000 0.938 386 K CB -0.240 32.206 32.500 -0.090 0.000 0.718 386 K HN 0.421 nan 8.250 nan 0.000 0.442 387 N N 0.472 119.115 118.700 -0.094 0.000 2.084 387 N HA -0.170 4.570 4.740 -0.001 0.000 0.190 387 N C 1.975 177.607 175.510 0.203 0.000 1.030 387 N CA 0.656 53.670 53.050 -0.059 0.000 0.849 387 N CB -0.024 38.394 38.487 -0.115 0.000 1.012 387 N HN 0.135 nan 8.380 nan 0.000 0.423 388 R N 1.320 121.866 120.500 0.075 0.000 2.070 388 R HA -0.152 4.188 4.340 -0.001 0.000 0.233 388 R C 0.991 177.453 176.300 0.270 0.000 1.137 388 R CA 1.845 58.008 56.100 0.105 0.000 0.945 388 R CB -0.110 30.141 30.300 -0.081 0.000 0.845 388 R HN 0.169 nan 8.270 nan 0.000 0.430 389 D N -0.625 119.904 120.400 0.214 0.000 2.178 389 D HA -0.085 4.555 4.640 -0.001 0.000 0.201 389 D C 1.697 178.160 176.300 0.271 0.000 0.980 389 D CA 1.402 55.549 54.000 0.244 0.000 0.842 389 D CB -0.489 40.423 40.800 0.187 0.000 0.948 389 D HN 0.526 nan 8.370 nan 0.000 0.472 390 G N 0.652 109.627 108.800 0.292 0.000 2.421 390 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.216 390 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.216 390 G C 1.740 176.838 174.900 0.329 0.000 1.171 390 G CA 0.149 45.484 45.100 0.393 0.000 0.775 390 G HN 0.249 nan 8.290 nan 0.000 0.543 391 L N 0.185 121.614 121.223 0.342 0.000 2.046 391 L HA -0.074 4.266 4.340 -0.001 0.000 0.208 391 L C 2.628 179.554 176.870 0.094 0.000 1.077 391 L CA 1.318 56.223 54.840 0.109 0.000 0.747 391 L CB -0.283 41.895 42.059 0.198 0.000 0.896 391 L HN 0.188 nan 8.230 nan 0.000 0.432 392 D N 0.147 120.675 120.400 0.214 0.000 2.104 392 D HA -0.232 4.408 4.640 -0.001 0.000 0.194 392 D C 1.699 178.089 176.300 0.150 0.000 0.994 392 D CA 1.446 55.570 54.000 0.207 0.000 0.830 392 D CB 0.031 41.013 40.800 0.305 0.000 0.959 392 D HN 0.231 nan 8.370 nan 0.000 0.452 393 D N -0.202 120.301 120.400 0.172 0.000 2.117 393 D HA -0.091 4.548 4.640 -0.001 0.000 0.197 393 D C 2.339 178.659 176.300 0.034 0.000 0.987 393 D CA 0.377 54.493 54.000 0.192 0.000 0.829 393 D CB -0.246 40.775 40.800 0.368 0.000 0.961 393 D HN 0.355 nan 8.370 nan 0.000 0.460 394 I N 0.437 120.870 120.570 -0.228 0.000 2.127 394 I HA -0.258 3.911 4.170 -0.001 0.000 0.241 394 I C 2.408 178.389 176.117 -0.227 0.000 1.075 394 I CA 0.755 61.826 61.300 -0.382 0.000 1.334 394 I CB -0.176 37.574 38.000 -0.415 0.000 1.040 394 I HN -0.099 nan 8.210 nan 0.000 0.405 395 V N 0.880 120.712 119.914 -0.136 0.000 2.295 395 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 395 V C 2.538 178.529 176.094 -0.172 0.000 1.049 395 V CA 2.218 64.448 62.300 -0.117 0.000 1.024 395 V CB -1.468 30.356 31.823 0.003 0.000 0.648 395 V HN 0.591 nan 8.190 nan 0.000 0.447 396 G N -0.469 108.294 108.800 -0.062 0.000 2.402 396 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.216 396 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.216 396 G C 1.235 176.065 174.900 -0.118 0.000 1.162 396 G CA 0.940 46.016 45.100 -0.040 0.000 0.777 396 G HN 0.493 nan 8.290 nan 0.000 0.539 397 D N -0.181 120.153 120.400 -0.109 0.000 2.084 397 D HA -0.092 4.548 4.640 -0.001 0.000 0.194 397 D C 2.096 178.077 176.300 -0.531 0.000 0.990 397 D CA 1.322 55.228 54.000 -0.157 0.000 0.826 397 D CB -0.471 40.387 40.800 0.097 0.000 0.971 397 D HN 0.421 nan 8.370 nan 0.000 0.453 398 H N 0.793 119.241 119.070 -1.036 0.000 2.357 398 H HA 0.033 4.589 4.556 -0.001 0.000 0.301 398 H C 1.526 176.458 175.328 -0.659 0.000 1.082 398 H CA 1.696 56.995 56.048 -1.250 0.000 1.342 398 H CB 0.039 28.907 29.762 -1.490 0.000 1.389 398 H HN -0.004 nan 8.280 nan 0.000 0.511 399 N N -0.717 117.503 118.700 -0.799 0.000 2.395 399 N HA -0.014 4.725 4.740 -0.001 0.000 0.175 399 N C 1.219 176.455 175.510 -0.458 0.000 1.029 399 N CA 1.125 53.661 53.050 -0.856 0.000 0.897 399 N CB 0.955 38.481 38.487 -1.602 0.000 0.991 399 N HN 0.277 nan 8.380 nan 0.000 0.441 400 V N 0.483 120.204 119.914 -0.323 0.000 3.278 400 V HA 0.151 4.271 4.120 -0.001 0.000 0.215 400 V C 2.097 178.158 176.094 -0.056 0.000 1.287 400 V CA -0.057 62.190 62.300 -0.089 0.000 1.302 400 V CB 0.116 31.955 31.823 0.027 0.000 1.228 400 V HN -0.051 nan 8.190 nan 0.000 0.523 401 I N 0.630 121.180 120.570 -0.033 0.000 2.099 401 I HA -0.302 3.868 4.170 -0.001 0.000 0.239 401 I C 2.578 178.699 176.117 0.008 0.000 1.066 401 I CA 2.000 63.310 61.300 0.017 0.000 1.324 401 I CB -0.507 37.540 38.000 0.078 0.000 1.037 401 I HN 0.388 nan 8.210 nan 0.000 0.401 402 c N 0.668 119.262 118.600 -0.009 0.000 2.425 402 c HA -0.043 4.526 4.570 -0.001 0.000 0.277 402 c C 0.249 174.366 174.090 0.045 0.000 1.280 402 c CA 0.695 57.060 56.329 0.060 0.000 1.744 402 c CB -1.812 40.777 42.510 0.132 0.000 1.989 402 c HN 0.371 nan 8.230 nan 0.000 0.491 403 P HA -0.077 nan 4.420 nan 0.000 0.217 403 P C 1.752 179.077 177.300 0.041 0.000 1.151 403 P CA 1.002 64.078 63.100 -0.041 0.000 0.828 403 P CB -0.170 31.414 31.700 -0.194 0.000 0.788 404 L N -1.773 119.451 121.223 0.003 0.000 2.093 404 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 404 L C 2.062 178.975 176.870 0.073 0.000 1.085 404 L CA 1.612 56.469 54.840 0.029 0.000 0.755 404 L CB -0.504 41.544 42.059 -0.018 0.000 0.904 404 L HN -0.099 nan 8.230 nan 0.000 0.435 405 M N -1.072 118.562 119.600 0.057 0.000 2.175 405 M HA -0.211 4.269 4.480 -0.001 0.000 0.264 405 M C 2.259 178.622 176.300 0.105 0.000 1.063 405 M CA 1.606 56.938 55.300 0.053 0.000 1.119 405 M CB -1.557 31.089 32.600 0.078 0.000 1.377 405 M HN 0.418 nan 8.290 nan 0.000 0.415 406 H N -0.172 118.935 119.070 0.062 0.000 2.357 406 H HA -0.168 4.388 4.556 -0.001 0.000 0.301 406 H C 1.825 177.196 175.328 0.071 0.000 1.082 406 H CA 1.910 58.000 56.048 0.071 0.000 1.342 406 H CB -0.355 29.446 29.762 0.066 0.000 1.389 406 H HN 0.244 nan 8.280 nan 0.000 0.511 407 F N 0.258 120.147 119.950 -0.101 0.000 2.102 407 F HA -0.156 4.370 4.527 -0.001 0.000 0.298 407 F C 2.223 177.926 175.800 -0.162 0.000 1.105 407 F CA 1.473 59.371 58.000 -0.171 0.000 1.239 407 F CB -0.750 38.164 39.000 -0.144 0.000 0.991 407 F HN 0.065 nan 8.300 nan 0.000 0.474 408 V N 0.938 120.740 119.914 -0.187 0.000 2.287 408 V HA -0.376 3.744 4.120 -0.001 0.000 0.248 408 V C 1.986 177.899 176.094 -0.302 0.000 1.053 408 V CA 2.550 64.630 62.300 -0.365 0.000 1.027 408 V CB -1.050 30.488 31.823 -0.474 0.000 0.646 408 V HN 0.369 nan 8.190 nan 0.000 0.447 409 N N -0.370 118.246 118.700 -0.140 0.000 2.188 409 N HA -0.128 4.611 4.740 -0.001 0.000 0.184 409 N C 1.854 177.332 175.510 -0.053 0.000 1.018 409 N CA 0.890 53.958 53.050 0.029 0.000 0.858 409 N CB -0.139 38.407 38.487 0.097 0.000 0.989 409 N HN 0.314 nan 8.380 nan 0.000 0.426 410 K N 0.099 120.384 120.400 -0.192 0.000 2.025 410 K HA -0.099 4.220 4.320 -0.001 0.000 0.207 410 K C 1.831 178.392 176.600 -0.065 0.000 1.049 410 K CA 0.960 57.162 56.287 -0.141 0.000 0.933 410 K CB -0.680 31.667 32.500 -0.255 0.000 0.714 410 K HN 0.306 nan 8.250 nan 0.000 0.438 411 Y N 2.395 122.425 120.300 -0.451 0.000 2.145 411 Y HA -0.226 4.324 4.550 -0.001 0.000 0.286 411 Y C 2.208 178.070 175.900 -0.064 0.000 1.145 411 Y CA 2.005 59.825 58.100 -0.466 0.000 1.148 411 Y CB -0.470 37.388 38.460 -1.003 0.000 0.981 411 Y HN 0.039 nan 8.280 nan 0.000 0.507 412 T N 0.629 115.191 114.554 0.012 0.000 2.869 412 T HA -0.245 4.104 4.350 -0.001 0.000 0.270 412 T C 1.832 176.519 174.700 -0.022 0.000 1.082 412 T CA 1.676 63.817 62.100 0.070 0.000 1.123 412 T CB -0.280 68.725 68.868 0.228 0.000 0.856 412 T HN 0.343 nan 8.240 nan 0.000 0.499 413 K N -0.065 120.287 120.400 -0.081 0.000 2.148 413 K HA -0.046 4.274 4.320 -0.001 0.000 0.204 413 K C 1.227 177.558 176.600 -0.448 0.000 1.050 413 K CA 1.301 57.421 56.287 -0.278 0.000 0.942 413 K CB -0.085 32.180 32.500 -0.392 0.000 0.724 413 K HN 0.363 nan 8.250 nan 0.000 0.446 414 F N 0.028 119.915 119.950 -0.105 0.000 2.717 414 F HA 0.280 4.807 4.527 -0.001 0.000 0.297 414 F C 1.411 177.092 175.800 -0.199 0.000 1.113 414 F CA -0.135 57.767 58.000 -0.162 0.000 1.319 414 F CB 0.028 38.872 39.000 -0.260 0.000 1.097 414 F HN -0.025 nan 8.300 nan 0.000 0.595 415 G N -0.056 108.654 108.800 -0.149 0.000 2.684 415 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.255 415 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.255 415 G C 0.451 175.378 174.900 0.045 0.000 1.219 415 G CA -0.314 44.707 45.100 -0.131 0.000 0.901 415 G HN 0.310 nan 8.290 nan 0.000 0.548 416 N N -0.543 118.235 118.700 0.131 0.000 2.214 416 N HA 0.260 4.999 4.740 -0.001 0.000 0.214 416 N C 0.351 175.925 175.510 0.107 0.000 1.132 416 N CA 0.420 53.528 53.050 0.098 0.000 0.856 416 N CB 0.334 38.877 38.487 0.092 0.000 1.020 416 N HN 0.829 nan 8.380 nan 0.000 0.509 417 G N 0.487 109.363 108.800 0.127 0.000 2.088 417 G HA2 0.034 3.994 3.960 -0.001 0.000 0.222 417 G HA3 0.034 3.994 3.960 -0.001 0.000 0.222 417 G C -1.298 173.618 174.900 0.027 0.000 1.690 417 G CA -0.700 44.430 45.100 0.050 0.000 0.923 417 G HN 0.005 nan 8.290 nan 0.000 0.730 418 T N 1.726 116.176 114.554 -0.174 0.000 2.824 418 T HA 0.670 5.019 4.350 -0.001 0.000 0.282 418 T C -1.255 173.150 174.700 -0.491 0.000 0.993 418 T CA -0.323 61.669 62.100 -0.182 0.000 0.967 418 T CB 1.282 70.130 68.868 -0.033 0.000 0.960 418 T HN 0.401 nan 8.240 nan 0.000 0.441 419 Y N 2.133 122.329 120.300 -0.173 0.000 2.338 419 Y HA 0.651 5.201 4.550 -0.001 0.000 0.333 419 Y C -0.480 175.445 175.900 0.041 0.000 0.968 419 Y CA -1.130 56.800 58.100 -0.283 0.000 1.123 419 Y CB 1.494 39.332 38.460 -1.037 0.000 1.165 419 Y HN 0.444 nan 8.280 nan 0.000 0.452 420 L N 5.865 127.446 121.223 0.597 0.000 2.346 420 L HA 0.658 4.998 4.340 -0.001 0.000 0.276 420 L C -1.287 176.053 176.870 0.783 0.000 1.006 420 L CA -0.990 54.157 54.840 0.512 0.000 0.817 420 L CB 0.920 43.145 42.059 0.275 0.000 1.272 420 L HN 0.529 nan 8.230 nan 0.000 0.421 421 Y N 2.986 123.597 120.300 0.519 0.000 2.576 421 Y HA 0.732 5.282 4.550 -0.001 0.000 0.346 421 Y C -1.802 174.363 175.900 0.442 0.000 1.018 421 Y CA -2.014 56.324 58.100 0.396 0.000 1.050 421 Y CB 1.338 39.964 38.460 0.276 0.000 1.280 421 Y HN 0.525 nan 8.280 nan 0.000 0.474 422 F N 4.251 124.530 119.950 0.549 0.000 2.610 422 F HA 0.457 4.983 4.527 -0.001 0.000 0.355 422 F C -1.896 174.209 175.800 0.509 0.000 1.140 422 F CA -1.843 56.411 58.000 0.422 0.000 1.037 422 F CB 0.677 39.908 39.000 0.386 0.000 1.287 422 F HN 0.563 nan 8.300 nan 0.000 0.457 423 F N 7.894 127.903 119.950 0.098 0.000 2.438 423 F HA 0.283 4.809 4.527 -0.001 0.000 0.360 423 F C 0.361 176.004 175.800 -0.262 0.000 1.118 423 F CA -0.268 57.733 58.000 0.000 0.000 1.164 423 F CB 0.470 39.542 39.000 0.120 0.000 1.131 423 F HN 0.535 nan 8.300 nan 0.000 0.527 424 N N 3.371 121.714 118.700 -0.595 0.000 2.433 424 N HA 0.065 4.805 4.740 -0.001 0.000 0.270 424 N C -1.086 174.172 175.510 -0.420 0.000 1.354 424 N CA -0.469 52.317 53.050 -0.439 0.000 0.889 424 N CB -0.689 37.713 38.487 -0.142 0.000 1.285 424 N HN 0.600 nan 8.380 nan 0.000 0.503 425 H N 0.740 119.242 119.070 -0.947 0.000 2.552 425 H HA 0.481 5.036 4.556 -0.001 0.000 0.311 425 H C -0.354 174.790 175.328 -0.305 0.000 1.071 425 H CA -0.606 55.072 56.048 -0.616 0.000 1.307 425 H CB 0.901 30.200 29.762 -0.770 0.000 1.416 425 H HN 0.095 nan 8.280 nan 0.000 0.464 426 R N 4.260 124.362 120.500 -0.662 0.000 2.210 426 R HA 0.475 4.814 4.340 -0.001 0.000 0.338 426 R C -0.734 175.261 176.300 -0.508 0.000 1.062 426 R CA -0.245 55.629 56.100 -0.376 0.000 0.902 426 R CB -0.085 30.093 30.300 -0.203 0.000 1.050 426 R HN 0.734 nan 8.270 nan 0.000 0.461 427 A N 3.402 126.179 122.820 -0.072 0.000 2.531 427 A HA 0.093 4.412 4.320 -0.001 0.000 0.236 427 A C 1.215 178.875 177.584 0.127 0.000 1.062 427 A CA 0.482 52.668 52.037 0.249 0.000 0.760 427 A CB 0.091 19.428 19.000 0.563 0.000 0.995 427 A HN 1.056 nan 8.150 nan 0.000 0.501 428 S N 1.336 117.151 115.700 0.191 0.000 2.447 428 S HA -0.162 4.307 4.470 -0.001 0.000 0.233 428 S C 0.850 175.460 174.600 0.017 0.000 1.006 428 S CA 1.181 59.438 58.200 0.094 0.000 0.957 428 S CB -0.427 62.849 63.200 0.128 0.000 0.773 428 S HN 0.935 nan 8.310 nan 0.000 0.507 429 N N 0.832 119.513 118.700 -0.032 0.000 2.234 429 N HA 0.245 4.984 4.740 -0.001 0.000 0.227 429 N C -0.242 175.224 175.510 -0.073 0.000 1.151 429 N CA -0.377 52.602 53.050 -0.117 0.000 0.865 429 N CB -0.597 37.708 38.487 -0.303 0.000 1.066 429 N HN 0.372 nan 8.380 nan 0.000 0.515 430 L N 1.151 122.379 121.223 0.007 0.000 2.499 430 L HA 0.018 4.358 4.340 -0.001 0.000 0.273 430 L C 1.570 178.440 176.870 0.000 0.000 1.195 430 L CA -0.370 54.493 54.840 0.038 0.000 0.882 430 L CB 0.992 43.085 42.059 0.056 0.000 1.133 430 L HN 0.113 nan 8.230 nan 0.000 0.483 431 V N -0.925 118.961 119.914 -0.047 0.000 3.506 431 V HA 0.037 4.156 4.120 -0.001 0.000 0.263 431 V C 0.548 176.663 176.094 0.035 0.000 1.203 431 V CA -0.373 61.878 62.300 -0.081 0.000 1.133 431 V CB -0.743 30.902 31.823 -0.297 0.000 0.802 431 V HN 0.582 nan 8.190 nan 0.000 0.459 432 W N 1.891 123.226 121.300 0.058 0.000 2.184 432 W HA 0.503 5.162 4.660 -0.001 0.000 0.338 432 W C -1.806 174.637 176.519 -0.127 0.000 1.257 432 W CA -2.246 55.098 57.345 -0.001 0.000 1.243 432 W CB -0.035 29.343 29.460 -0.137 0.000 1.122 432 W HN -0.021 nan 8.180 nan 0.000 0.585 433 P HA -0.089 nan 4.420 nan 0.000 0.270 433 P C 0.375 177.609 177.300 -0.110 0.000 1.223 433 P CA 0.394 63.471 63.100 -0.038 0.000 0.785 433 P CB 0.966 32.651 31.700 -0.025 0.000 0.923 434 E N 1.446 121.650 120.200 0.006 0.000 2.110 434 E HA -0.150 4.199 4.350 -0.001 0.000 0.193 434 E C 1.912 178.550 176.600 0.062 0.000 0.988 434 E CA 1.385 57.804 56.400 0.031 0.000 0.804 434 E CB -0.548 29.200 29.700 0.079 0.000 0.745 434 E HN 0.719 nan 8.360 nan 0.000 0.458 435 W N 0.317 121.664 121.300 0.079 0.000 2.364 435 W HA -0.108 4.552 4.660 -0.001 0.000 0.281 435 W C 1.484 178.069 176.519 0.110 0.000 1.219 435 W CA 0.519 57.920 57.345 0.093 0.000 1.220 435 W CB -0.824 28.695 29.460 0.099 0.000 1.127 435 W HN -0.016 nan 8.180 nan 0.000 0.556 436 M N 1.303 120.565 119.600 -0.564 0.000 2.492 436 M HA 0.113 4.593 4.480 -0.001 0.000 0.262 436 M C 1.816 178.008 176.300 -0.180 0.000 1.090 436 M CA 1.540 56.484 55.300 -0.594 0.000 1.110 436 M CB -0.685 31.381 32.600 -0.890 0.000 1.407 436 M HN 0.186 nan 8.290 nan 0.000 0.470 437 G N 0.542 109.292 108.800 -0.084 0.000 2.583 437 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.292 437 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.292 437 G C -0.142 174.738 174.900 -0.033 0.000 1.203 437 G CA -0.146 44.944 45.100 -0.015 0.000 0.987 437 G HN 0.220 nan 8.290 nan 0.000 0.554 438 V N 2.064 121.989 119.914 0.019 0.000 2.299 438 V HA 0.404 4.523 4.120 -0.001 0.000 0.255 438 V C 1.080 177.250 176.094 0.127 0.000 1.100 438 V CA -0.130 62.216 62.300 0.077 0.000 0.938 438 V CB 0.098 31.955 31.823 0.056 0.000 1.139 438 V HN 0.533 nan 8.190 nan 0.000 0.490 439 I N 2.790 123.407 120.570 0.079 0.000 2.836 439 I HA 0.096 4.265 4.170 -0.001 0.000 0.285 439 I C 0.934 177.220 176.117 0.282 0.000 1.174 439 I CA -0.418 60.933 61.300 0.086 0.000 1.405 439 I CB 0.171 38.039 38.000 -0.221 0.000 1.385 439 I HN 0.554 nan 8.210 nan 0.000 0.594 440 H N 4.000 123.127 119.070 0.095 0.000 3.184 440 H HA 0.190 4.746 4.556 -0.001 0.000 0.274 440 H C 0.886 176.179 175.328 -0.058 0.000 0.962 440 H CA 0.832 56.915 56.048 0.058 0.000 1.441 440 H CB -0.090 29.709 29.762 0.063 0.000 1.518 440 H HN 0.739 nan 8.280 nan 0.000 0.539 441 G N 3.836 112.498 108.800 -0.231 0.000 2.194 441 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.236 441 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.236 441 G C 0.576 175.431 174.900 -0.076 0.000 0.987 441 G CA 0.273 45.200 45.100 -0.288 0.000 0.635 441 G HN 0.611 nan 8.290 nan 0.000 0.520 442 Y N 1.567 121.949 120.300 0.137 0.000 2.462 442 Y HA 0.220 4.770 4.550 -0.001 0.000 0.293 442 Y C 2.326 178.351 175.900 0.207 0.000 1.195 442 Y CA 1.054 59.315 58.100 0.268 0.000 1.276 442 Y CB 0.403 39.052 38.460 0.314 0.000 1.082 442 Y HN 0.529 nan 8.280 nan 0.000 0.514 443 E N -0.165 120.004 120.200 -0.052 0.000 2.415 443 E HA -0.039 4.311 4.350 -0.001 0.000 0.197 443 E C 1.637 178.141 176.600 -0.160 0.000 1.007 443 E CA 0.541 56.573 56.400 -0.613 0.000 0.890 443 E CB -0.437 28.619 29.700 -1.074 0.000 0.891 443 E HN 0.514 nan 8.360 nan 0.000 0.496 444 I N 2.780 123.363 120.570 0.022 0.000 2.163 444 I HA -0.313 3.856 4.170 -0.001 0.000 0.243 444 I C 2.658 178.818 176.117 0.073 0.000 1.085 444 I CA 2.162 63.527 61.300 0.109 0.000 1.347 444 I CB -0.550 37.561 38.000 0.184 0.000 1.044 444 I HN 0.216 nan 8.210 nan 0.000 0.408 445 E N 1.010 121.211 120.200 0.002 0.000 2.209 445 E HA -0.237 4.113 4.350 -0.001 0.000 0.196 445 E C 2.020 178.471 176.600 -0.249 0.000 0.993 445 E CA 1.512 57.835 56.400 -0.128 0.000 0.819 445 E CB -0.513 29.109 29.700 -0.131 0.000 0.745 445 E HN 0.443 nan 8.360 nan 0.000 0.477 446 F N 1.120 120.965 119.950 -0.175 0.000 2.234 446 F HA -0.025 4.501 4.527 -0.001 0.000 0.296 446 F C 2.383 178.003 175.800 -0.300 0.000 1.089 446 F CA 0.555 58.411 58.000 -0.239 0.000 1.343 446 F CB -0.160 38.734 39.000 -0.176 0.000 1.040 446 F HN -0.139 nan 8.300 nan 0.000 0.498 447 V N -1.007 118.816 119.914 -0.153 0.000 2.427 447 V HA -0.268 3.852 4.120 -0.001 0.000 0.248 447 V C 1.662 177.567 176.094 -0.315 0.000 1.051 447 V CA 1.584 63.654 62.300 -0.383 0.000 1.048 447 V CB -0.656 30.964 31.823 -0.339 0.000 0.666 447 V HN 0.201 nan 8.190 nan 0.000 0.456 448 F N 0.431 120.238 119.950 -0.239 0.000 2.765 448 F HA 0.411 4.938 4.527 -0.001 0.000 0.302 448 F C 1.828 177.530 175.800 -0.162 0.000 1.111 448 F CA 0.562 58.451 58.000 -0.185 0.000 1.359 448 F CB -0.273 38.603 39.000 -0.207 0.000 1.097 448 F HN 0.257 nan 8.300 nan 0.000 0.577 449 G N 0.200 108.912 108.800 -0.147 0.000 2.160 449 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.251 449 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.251 449 G C 1.037 175.630 174.900 -0.512 0.000 1.008 449 G CA 0.401 45.339 45.100 -0.270 0.000 0.724 449 G HN 0.303 nan 8.290 nan 0.000 0.514 450 L N 0.313 121.217 121.223 -0.532 0.000 2.127 450 L HA 0.037 4.376 4.340 -0.001 0.000 0.211 450 L C 0.347 176.836 176.870 -0.635 0.000 1.089 450 L CA 2.539 57.020 54.840 -0.598 0.000 0.757 450 L CB -1.034 40.807 42.059 -0.363 0.000 0.899 450 L HN 0.191 nan 8.230 nan 0.000 0.434 451 P HA -0.120 nan 4.420 nan 0.000 0.228 451 P C 1.431 178.499 177.300 -0.385 0.000 1.151 451 P CA 0.828 63.365 63.100 -0.939 0.000 0.770 451 P CB 0.083 31.103 31.700 -1.134 0.000 0.786 452 L N -2.104 118.890 121.223 -0.382 0.000 2.492 452 L HA -0.006 4.334 4.340 -0.001 0.000 0.223 452 L C 0.679 177.429 176.870 -0.201 0.000 1.132 452 L CA 0.765 55.461 54.840 -0.241 0.000 0.850 452 L CB -0.519 41.413 42.059 -0.212 0.000 0.966 452 L HN -0.239 nan 8.230 nan 0.000 0.454 453 V N 0.916 120.677 119.914 -0.255 0.000 2.353 453 V HA 0.102 4.222 4.120 -0.001 0.000 0.264 453 V C 1.339 177.396 176.094 -0.062 0.000 1.049 453 V CA -0.648 61.555 62.300 -0.162 0.000 0.896 453 V CB 0.707 32.402 31.823 -0.213 0.000 1.025 453 V HN 0.232 nan 8.190 nan 0.000 0.475 454 K N 3.550 123.925 120.400 -0.042 0.000 2.059 454 K HA -0.234 4.085 4.320 -0.001 0.000 0.212 454 K C 1.698 178.284 176.600 -0.023 0.000 1.050 454 K CA 1.578 57.853 56.287 -0.020 0.000 0.927 454 K CB -0.037 32.451 32.500 -0.020 0.000 0.714 454 K HN 0.663 nan 8.250 nan 0.000 0.447 455 E N 0.828 121.008 120.200 -0.033 0.000 2.331 455 E HA -0.090 4.260 4.350 -0.001 0.000 0.199 455 E C 1.723 178.286 176.600 -0.061 0.000 1.008 455 E CA 0.480 56.854 56.400 -0.043 0.000 0.843 455 E CB -0.290 29.386 29.700 -0.041 0.000 0.761 455 E HN 0.282 nan 8.360 nan 0.000 0.507 456 L N 0.388 121.580 121.223 -0.052 0.000 2.599 456 L HA 0.059 4.399 4.340 -0.001 0.000 0.230 456 L C -0.062 176.671 176.870 -0.227 0.000 1.141 456 L CA -0.069 54.711 54.840 -0.100 0.000 0.877 456 L CB -0.346 41.724 42.059 0.019 0.000 1.009 456 L HN 0.143 nan 8.230 nan 0.000 0.447 457 N N -1.204 117.417 118.700 -0.132 0.000 2.754 457 N HA -0.224 4.516 4.740 -0.001 0.000 0.248 457 N C -0.587 174.817 175.510 -0.177 0.000 1.093 457 N CA 0.853 53.815 53.050 -0.146 0.000 0.699 457 N CB -1.721 36.664 38.487 -0.170 0.000 1.016 457 N HN 0.305 nan 8.380 nan 0.000 0.552 458 Y N 0.567 120.836 120.300 -0.052 0.000 2.374 458 Y HA 0.336 4.886 4.550 -0.001 0.000 0.322 458 Y C 1.831 177.730 175.900 -0.001 0.000 1.275 458 Y CA -0.103 57.982 58.100 -0.025 0.000 1.307 458 Y CB 0.674 39.081 38.460 -0.088 0.000 1.282 458 Y HN 0.081 nan 8.280 nan 0.000 0.509 459 T N -1.858 112.830 114.554 0.224 0.000 2.816 459 T HA 0.438 4.788 4.350 -0.001 0.000 0.282 459 T C 1.192 175.952 174.700 0.100 0.000 0.993 459 T CA -0.258 61.922 62.100 0.133 0.000 0.994 459 T CB 1.174 70.123 68.868 0.135 0.000 1.025 459 T HN 0.754 nan 8.240 nan 0.000 0.529 460 A N 0.570 123.426 122.820 0.060 0.000 1.933 460 A HA -0.039 4.280 4.320 -0.001 0.000 0.218 460 A C 2.166 179.766 177.584 0.027 0.000 1.175 460 A CA 1.615 53.671 52.037 0.032 0.000 0.628 460 A CB -1.074 17.939 19.000 0.022 0.000 0.814 460 A HN 0.896 nan 8.150 nan 0.000 0.444 461 E N 0.365 120.588 120.200 0.038 0.000 2.110 461 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 461 E C 1.852 178.460 176.600 0.015 0.000 0.988 461 E CA 1.514 57.924 56.400 0.017 0.000 0.804 461 E CB -0.278 29.435 29.700 0.021 0.000 0.745 461 E HN 0.780 nan 8.360 nan 0.000 0.458 462 E N 0.302 120.550 120.200 0.081 0.000 2.152 462 E HA -0.155 4.195 4.350 -0.001 0.000 0.192 462 E C 1.964 178.595 176.600 0.051 0.000 0.983 462 E CA 0.689 57.190 56.400 0.169 0.000 0.818 462 E CB 0.018 29.924 29.700 0.343 0.000 0.758 462 E HN 0.330 nan 8.360 nan 0.000 0.467 463 E N 0.884 121.072 120.200 -0.019 0.000 2.072 463 E HA -0.171 4.178 4.350 -0.001 0.000 0.191 463 E C 2.059 178.624 176.600 -0.059 0.000 0.985 463 E CA 0.875 57.223 56.400 -0.087 0.000 0.801 463 E CB -0.010 29.652 29.700 -0.064 0.000 0.750 463 E HN 0.200 nan 8.360 nan 0.000 0.452 464 A N 1.214 124.015 122.820 -0.032 0.000 1.902 464 A HA -0.173 4.146 4.320 -0.001 0.000 0.217 464 A C 2.133 179.692 177.584 -0.041 0.000 1.181 464 A CA 1.303 53.316 52.037 -0.041 0.000 0.623 464 A CB -0.658 18.323 19.000 -0.033 0.000 0.818 464 A HN 0.383 nan 8.150 nan 0.000 0.443 465 L N -0.150 121.065 121.223 -0.013 0.000 2.046 465 L HA -0.098 4.242 4.340 -0.001 0.000 0.208 465 L C 2.562 179.460 176.870 0.048 0.000 1.077 465 L CA 2.650 57.487 54.840 -0.005 0.000 0.747 465 L CB -0.910 41.118 42.059 -0.053 0.000 0.896 465 L HN 0.346 nan 8.230 nan 0.000 0.432 466 S N -0.668 115.102 115.700 0.117 0.000 2.356 466 S HA -0.214 4.255 4.470 -0.001 0.000 0.223 466 S C 2.197 176.751 174.600 -0.078 0.000 1.032 466 S CA 1.411 59.633 58.200 0.037 0.000 1.005 466 S CB -0.240 62.870 63.200 -0.151 0.000 0.867 466 S HN 0.550 nan 8.310 nan 0.000 0.449 467 R N 0.225 120.673 120.500 -0.086 0.000 2.096 467 R HA -0.019 4.321 4.340 -0.001 0.000 0.235 467 R C 2.715 178.951 176.300 -0.106 0.000 1.127 467 R CA 1.559 57.603 56.100 -0.094 0.000 0.968 467 R CB -0.298 29.946 30.300 -0.094 0.000 0.861 467 R HN 0.391 nan 8.270 nan 0.000 0.440 468 R N 0.847 121.261 120.500 -0.143 0.000 2.092 468 R HA -0.057 4.283 4.340 -0.001 0.000 0.231 468 R C 2.096 178.183 176.300 -0.355 0.000 1.119 468 R CA 1.211 57.139 56.100 -0.286 0.000 0.970 468 R CB -0.101 30.029 30.300 -0.283 0.000 0.864 468 R HN 0.172 nan 8.270 nan 0.000 0.440 469 I N 0.189 120.666 120.570 -0.155 0.000 2.202 469 I HA -0.283 3.887 4.170 -0.001 0.000 0.242 469 I C 2.362 178.407 176.117 -0.120 0.000 1.091 469 I CA 1.273 62.513 61.300 -0.100 0.000 1.368 469 I CB -0.160 37.655 38.000 -0.308 0.000 1.058 469 I HN 0.271 nan 8.210 nan 0.000 0.410 470 M N -0.482 119.024 119.600 -0.157 0.000 2.149 470 M HA -0.270 4.210 4.480 -0.001 0.000 0.261 470 M C 2.422 178.769 176.300 0.078 0.000 1.064 470 M CA 1.800 57.040 55.300 -0.101 0.000 1.102 470 M CB -0.746 31.793 32.600 -0.101 0.000 1.369 470 M HN 0.279 nan 8.290 nan 0.000 0.408 471 H N -0.435 118.616 119.070 -0.031 0.000 2.428 471 H HA -0.129 4.426 4.556 -0.001 0.000 0.296 471 H C 1.540 176.970 175.328 0.170 0.000 1.062 471 H CA 1.766 57.819 56.048 0.009 0.000 1.350 471 H CB 0.011 29.724 29.762 -0.081 0.000 1.403 471 H HN 0.269 nan 8.280 nan 0.000 0.533 472 Y N -0.819 119.618 120.300 0.229 0.000 2.114 472 Y HA -0.243 4.306 4.550 -0.001 0.000 0.284 472 Y C 2.542 178.627 175.900 0.309 0.000 1.143 472 Y CA 1.089 59.369 58.100 0.301 0.000 1.135 472 Y CB -1.048 37.798 38.460 0.645 0.000 0.980 472 Y HN 0.351 nan 8.280 nan 0.000 0.499 473 W N -0.463 120.935 121.300 0.162 0.000 2.333 473 W HA -0.243 4.416 4.660 -0.001 0.000 0.316 473 W C 2.602 179.113 176.519 -0.014 0.000 1.215 473 W CA 1.196 58.567 57.345 0.044 0.000 1.278 473 W CB -0.550 28.877 29.460 -0.056 0.000 1.154 473 W HN 0.059 nan 8.180 nan 0.000 0.486 474 A N -0.044 122.879 122.820 0.172 0.000 1.930 474 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 474 A C 1.812 179.373 177.584 -0.038 0.000 1.175 474 A CA 2.245 54.297 52.037 0.025 0.000 0.627 474 A CB -1.175 17.832 19.000 0.012 0.000 0.815 474 A HN 0.217 nan 8.150 nan 0.000 0.443 475 T N -0.849 113.643 114.554 -0.103 0.000 2.821 475 T HA -0.088 4.262 4.350 -0.001 0.000 0.267 475 T C 1.585 176.233 174.700 -0.088 0.000 1.046 475 T CA 1.427 63.434 62.100 -0.156 0.000 1.139 475 T CB -0.358 68.344 68.868 -0.277 0.000 0.871 475 T HN 0.501 nan 8.240 nan 0.000 0.454 476 F N 2.421 122.266 119.950 -0.175 0.000 2.102 476 F HA 0.039 4.565 4.527 -0.001 0.000 0.298 476 F C 2.427 178.140 175.800 -0.145 0.000 1.105 476 F CA 0.954 58.821 58.000 -0.221 0.000 1.239 476 F CB -0.714 38.096 39.000 -0.315 0.000 0.991 476 F HN 0.134 nan 8.300 nan 0.000 0.474 477 A N 0.299 123.022 122.820 -0.161 0.000 1.908 477 A HA -0.253 4.067 4.320 -0.001 0.000 0.218 477 A C 2.328 179.777 177.584 -0.225 0.000 1.181 477 A CA 2.000 53.907 52.037 -0.216 0.000 0.627 477 A CB -0.880 18.072 19.000 -0.079 0.000 0.818 477 A HN 0.514 nan 8.150 nan 0.000 0.445 478 K N -0.930 119.373 120.400 -0.163 0.000 2.103 478 K HA -0.107 4.213 4.320 -0.001 0.000 0.204 478 K C 1.750 178.260 176.600 -0.150 0.000 1.052 478 K CA 1.879 58.091 56.287 -0.125 0.000 0.945 478 K CB -0.074 32.377 32.500 -0.081 0.000 0.722 478 K HN 0.612 nan 8.250 nan 0.000 0.443 479 T N -5.228 109.209 114.554 -0.196 0.000 2.958 479 T HA 0.264 4.614 4.350 -0.001 0.000 0.256 479 T C 1.100 175.663 174.700 -0.228 0.000 0.983 479 T CA 0.435 62.432 62.100 -0.171 0.000 0.924 479 T CB 0.962 69.761 68.868 -0.115 0.000 1.136 479 T HN 0.304 nan 8.240 nan 0.000 0.506 480 G N 1.511 110.047 108.800 -0.439 0.000 2.157 480 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.239 480 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.239 480 G C -0.166 174.672 174.900 -0.103 0.000 0.982 480 G CA 0.037 44.831 45.100 -0.509 0.000 0.650 480 G HN 0.923 nan 8.290 nan 0.000 0.527 481 N N -0.132 118.498 118.700 -0.116 0.000 2.478 481 N HA 0.487 5.227 4.740 -0.001 0.000 0.291 481 N C -1.767 173.594 175.510 -0.248 0.000 1.090 481 N CA -1.470 51.468 53.050 -0.186 0.000 0.911 481 N CB 2.082 40.530 38.487 -0.065 0.000 1.546 481 N HN -0.099 nan 8.380 nan 0.000 0.500 482 P HA -0.045 nan 4.420 nan 0.000 0.233 482 P C -0.707 176.596 177.300 0.006 0.000 1.167 482 P CA 0.598 63.564 63.100 -0.223 0.000 0.770 482 P CB 0.165 31.553 31.700 -0.520 0.000 0.837 483 N N 1.326 119.986 118.700 -0.067 0.000 2.518 483 N HA 0.133 4.873 4.740 -0.001 0.000 0.283 483 N C 0.157 175.691 175.510 0.040 0.000 1.119 483 N CA -0.198 52.901 53.050 0.083 0.000 0.983 483 N CB 1.225 39.761 38.487 0.082 0.000 1.139 483 N HN 0.153 nan 8.380 nan 0.000 0.465 484 E N 1.708 121.961 120.200 0.090 0.000 2.313 484 E HA 0.219 4.568 4.350 -0.001 0.000 0.276 484 E C -2.137 174.466 176.600 0.005 0.000 1.031 484 E CA -1.496 54.941 56.400 0.061 0.000 0.857 484 E CB 0.547 30.331 29.700 0.141 0.000 1.040 484 E HN 0.225 nan 8.360 nan 0.000 0.408 485 P HA -0.038 nan 4.420 nan 0.000 0.267 485 P C -0.995 176.165 177.300 -0.232 0.000 1.205 485 P CA 0.296 63.226 63.100 -0.283 0.000 0.765 485 P CB 0.328 31.838 31.700 -0.317 0.000 0.828 486 H N -1.215 117.889 119.070 0.057 0.000 2.791 486 H HA -0.146 4.409 4.556 -0.001 0.000 0.302 486 H C 0.338 175.700 175.328 0.057 0.000 1.198 486 H CA 0.805 56.884 56.048 0.052 0.000 1.145 486 H CB -1.877 27.910 29.762 0.041 0.000 1.385 486 H HN 0.391 nan 8.280 nan 0.000 0.409 487 S N -0.337 115.435 115.700 0.120 0.000 2.652 487 S HA 0.264 4.734 4.470 -0.001 0.000 0.270 487 S C 1.327 175.989 174.600 0.103 0.000 1.243 487 S CA -0.515 57.751 58.200 0.111 0.000 0.999 487 S CB 1.347 64.615 63.200 0.114 0.000 0.973 487 S HN 0.309 nan 8.310 nan 0.000 0.544 488 Q N 0.723 120.576 119.800 0.087 0.000 2.356 488 Q HA 0.251 4.591 4.340 -0.001 0.000 0.205 488 Q C -0.162 175.883 176.000 0.076 0.000 0.901 488 Q CA 0.294 56.142 55.803 0.074 0.000 0.938 488 Q CB 0.071 28.843 28.738 0.057 0.000 1.081 488 Q HN 0.615 nan 8.270 nan 0.000 0.517 489 E N 1.189 121.443 120.200 0.090 0.000 2.371 489 E HA 0.177 4.527 4.350 -0.001 0.000 0.257 489 E C -0.077 176.597 176.600 0.123 0.000 1.134 489 E CA -0.163 56.298 56.400 0.101 0.000 0.919 489 E CB 0.575 30.345 29.700 0.117 0.000 1.025 489 E HN -0.095 nan 8.360 nan 0.000 0.438 490 S N 1.607 117.382 115.700 0.125 0.000 2.558 490 S HA 0.041 4.511 4.470 -0.001 0.000 0.288 490 S C 0.291 175.001 174.600 0.184 0.000 1.318 490 S CA -0.113 58.164 58.200 0.128 0.000 1.056 490 S CB 0.356 63.620 63.200 0.107 0.000 0.853 490 S HN 0.154 nan 8.310 nan 0.000 0.505 491 K N 2.079 122.580 120.400 0.169 0.000 2.227 491 K HA 0.142 4.462 4.320 -0.001 0.000 0.280 491 K C -0.498 176.267 176.600 0.275 0.000 1.041 491 K CA -0.446 55.970 56.287 0.215 0.000 0.905 491 K CB 0.778 33.380 32.500 0.170 0.000 1.068 491 K HN 0.698 nan 8.250 nan 0.000 0.470 492 W N 7.551 128.899 121.300 0.081 0.000 2.546 492 W HA 0.154 4.814 4.660 -0.001 0.000 0.323 492 W C -2.299 174.331 176.519 0.186 0.000 1.272 492 W CA -2.490 54.895 57.345 0.067 0.000 1.404 492 W CB -0.057 29.340 29.460 -0.106 0.000 1.411 492 W HN 0.381 nan 8.180 nan 0.000 0.480 493 P HA 0.091 nan 4.420 nan 0.000 0.274 493 P C -0.207 177.304 177.300 0.352 0.000 1.231 493 P CA -0.190 63.134 63.100 0.374 0.000 0.790 493 P CB 1.569 33.406 31.700 0.228 0.000 0.951 494 L N 2.076 123.376 121.223 0.128 0.000 2.456 494 L HA 0.147 4.487 4.340 -0.001 0.000 0.272 494 L C 0.872 177.740 176.870 -0.004 0.000 1.189 494 L CA -0.460 54.267 54.840 -0.188 0.000 0.846 494 L CB -0.196 41.748 42.059 -0.192 0.000 1.111 494 L HN 0.349 nan 8.230 nan 0.000 0.475 495 F N 2.943 122.796 119.950 -0.162 0.000 2.420 495 F HA 0.372 4.898 4.527 -0.001 0.000 0.352 495 F C 0.388 176.159 175.800 -0.048 0.000 1.108 495 F CA -0.576 57.417 58.000 -0.013 0.000 1.162 495 F CB 0.858 39.876 39.000 0.030 0.000 1.118 495 F HN 0.463 nan 8.300 nan 0.000 0.510 496 T N 1.225 115.527 114.554 -0.420 0.000 2.924 496 T HA 0.265 4.615 4.350 -0.001 0.000 0.291 496 T C 0.889 175.342 174.700 -0.413 0.000 1.045 496 T CA -0.455 61.493 62.100 -0.253 0.000 1.015 496 T CB 1.488 70.261 68.868 -0.159 0.000 1.103 496 T HN 0.545 nan 8.240 nan 0.000 0.496 497 T N 0.661 115.127 114.554 -0.147 0.000 2.778 497 T HA -0.108 4.242 4.350 -0.001 0.000 0.269 497 T C 1.693 176.309 174.700 -0.139 0.000 1.050 497 T CA 1.641 63.686 62.100 -0.091 0.000 1.137 497 T CB -0.221 68.622 68.868 -0.043 0.000 0.860 497 T HN 0.719 nan 8.240 nan 0.000 0.468 498 K N 0.311 120.624 120.400 -0.145 0.000 2.044 498 K HA -0.019 4.301 4.320 -0.001 0.000 0.204 498 K C 2.109 178.628 176.600 -0.134 0.000 1.045 498 K CA 0.830 57.050 56.287 -0.112 0.000 0.951 498 K CB 0.207 32.658 32.500 -0.081 0.000 0.738 498 K HN 0.067 nan 8.250 nan 0.000 0.443 499 E N 0.781 120.874 120.200 -0.178 0.000 2.250 499 E HA -0.055 4.294 4.350 -0.001 0.000 0.192 499 E C -0.104 176.360 176.600 -0.226 0.000 0.986 499 E CA 0.332 56.639 56.400 -0.155 0.000 0.849 499 E CB 0.205 29.837 29.700 -0.114 0.000 0.797 499 E HN 0.305 nan 8.360 nan 0.000 0.482 500 Q N 0.983 120.469 119.800 -0.524 0.000 2.435 500 Q HA -0.218 4.121 4.340 -0.001 0.000 0.312 500 Q C -0.572 175.310 176.000 -0.196 0.000 1.333 500 Q CA 0.710 55.993 55.803 -0.866 0.000 0.883 500 Q CB -1.673 26.836 28.738 -0.383 0.000 1.170 500 Q HN 0.173 nan 8.270 nan 0.000 0.443 501 K N 0.644 120.992 120.400 -0.087 0.000 2.202 501 K HA 0.599 4.919 4.320 -0.001 0.000 0.264 501 K C 0.010 176.905 176.600 0.493 0.000 1.010 501 K CA -0.032 56.358 56.287 0.172 0.000 0.940 501 K CB 0.519 33.068 32.500 0.082 0.000 0.983 501 K HN 0.234 nan 8.250 nan 0.000 0.475 502 F N -0.251 119.868 119.950 0.281 0.000 2.711 502 F HA 0.621 5.148 4.527 -0.001 0.000 0.313 502 F C -1.141 174.769 175.800 0.184 0.000 1.141 502 F CA -1.511 56.690 58.000 0.335 0.000 0.941 502 F CB 0.781 39.989 39.000 0.347 0.000 1.349 502 F HN 0.427 nan 8.300 nan 0.000 0.464 503 I N -0.796 119.879 120.570 0.174 0.000 2.892 503 I HA 0.646 4.816 4.170 -0.001 0.000 0.306 503 I C -1.230 175.007 176.117 0.200 0.000 1.078 503 I CA -0.883 60.356 61.300 -0.102 0.000 1.032 503 I CB 2.140 39.885 38.000 -0.424 0.000 1.229 503 I HN 0.462 nan 8.210 nan 0.000 0.435 504 D N 3.734 124.239 120.400 0.176 0.000 2.283 504 D HA 0.510 5.150 4.640 -0.001 0.000 0.248 504 D C -0.687 175.698 176.300 0.141 0.000 1.072 504 D CA 0.036 54.239 54.000 0.338 0.000 0.929 504 D CB 2.368 43.372 40.800 0.340 0.000 1.182 504 D HN 0.440 nan 8.370 nan 0.000 0.433 505 L N 2.730 124.043 121.223 0.149 0.000 2.353 505 L HA 0.356 4.695 4.340 -0.001 0.000 0.270 505 L C 0.166 176.966 176.870 -0.116 0.000 1.003 505 L CA -0.409 54.471 54.840 0.066 0.000 0.862 505 L CB 0.270 42.454 42.059 0.208 0.000 1.221 505 L HN 0.470 nan 8.230 nan 0.000 0.430 506 N N -0.239 118.394 118.700 -0.113 0.000 3.364 506 N HA 0.163 4.903 4.740 -0.001 0.000 0.294 506 N C 0.138 175.546 175.510 -0.170 0.000 1.562 506 N CA -0.473 52.453 53.050 -0.206 0.000 0.862 506 N CB 1.359 39.785 38.487 -0.103 0.000 1.691 506 N HN 0.156 nan 8.380 nan 0.000 0.572 507 T N -2.754 111.681 114.554 -0.198 0.000 3.148 507 T HA 0.122 4.472 4.350 -0.001 0.000 0.253 507 T C 0.108 174.783 174.700 -0.043 0.000 1.134 507 T CA 0.345 62.362 62.100 -0.139 0.000 1.051 507 T CB -0.390 68.383 68.868 -0.158 0.000 0.959 507 T HN 0.451 nan 8.240 nan 0.000 0.525 508 E N 2.559 122.749 120.200 -0.017 0.000 2.280 508 E HA 0.380 4.730 4.350 -0.001 0.000 0.264 508 E C -2.370 174.235 176.600 0.008 0.000 1.064 508 E CA -2.673 53.732 56.400 0.009 0.000 0.900 508 E CB 0.464 30.181 29.700 0.028 0.000 1.123 508 E HN 0.241 nan 8.360 nan 0.000 0.418 509 P HA -0.103 nan 4.420 nan 0.000 0.266 509 P C -0.390 176.915 177.300 0.008 0.000 1.195 509 P CA 0.148 63.257 63.100 0.014 0.000 0.768 509 P CB 0.518 32.227 31.700 0.014 0.000 0.838 510 M N 2.598 122.206 119.600 0.014 0.000 2.240 510 M HA -0.040 4.440 4.480 -0.001 0.000 0.346 510 M C -0.139 176.125 176.300 -0.060 0.000 1.236 510 M CA 1.202 56.496 55.300 -0.010 0.000 0.986 510 M CB -0.063 32.549 32.600 0.020 0.000 1.786 510 M HN 0.266 nan 8.290 nan 0.000 0.457 511 K N 3.997 124.320 120.400 -0.128 0.000 2.443 511 K HA 0.526 4.846 4.320 -0.001 0.000 0.252 511 K C -1.577 174.734 176.600 -0.482 0.000 0.933 511 K CA -0.835 55.289 56.287 -0.271 0.000 0.792 511 K CB 2.463 34.803 32.500 -0.266 0.000 1.185 511 K HN 0.500 nan 8.250 nan 0.000 0.425 512 V N 4.265 123.894 119.914 -0.474 0.000 2.481 512 V HA 0.327 4.446 4.120 -0.001 0.000 0.286 512 V C -0.085 175.592 176.094 -0.695 0.000 1.042 512 V CA -0.503 61.517 62.300 -0.468 0.000 0.928 512 V CB 1.090 32.791 31.823 -0.202 0.000 0.986 512 V HN 0.712 nan 8.190 nan 0.000 0.462 513 H N 2.996 121.733 119.070 -0.554 0.000 2.869 513 H HA 0.668 5.223 4.556 -0.001 0.000 0.342 513 H C -0.980 174.088 175.328 -0.433 0.000 1.250 513 H CA -0.820 54.864 56.048 -0.607 0.000 1.217 513 H CB 2.150 31.296 29.762 -1.028 0.000 1.917 513 H HN 0.573 nan 8.280 nan 0.000 0.586 514 Q N 0.179 120.011 119.800 0.053 0.000 2.421 514 Q HA 0.379 4.718 4.340 -0.001 0.000 0.280 514 Q C -0.682 175.537 176.000 0.366 0.000 1.085 514 Q CA -0.923 55.009 55.803 0.215 0.000 0.807 514 Q CB 2.876 31.666 28.738 0.087 0.000 1.405 514 Q HN 0.464 nan 8.270 nan 0.000 0.419 515 R N 0.993 121.700 120.500 0.345 0.000 3.079 515 R HA -0.202 4.137 4.340 -0.001 0.000 0.254 515 R C -0.547 175.891 176.300 0.232 0.000 0.900 515 R CA -0.019 56.233 56.100 0.253 0.000 0.641 515 R CB -1.605 28.787 30.300 0.152 0.000 1.307 515 R HN 0.614 nan 8.270 nan 0.000 0.477 516 L N 2.205 123.504 121.223 0.127 0.000 2.628 516 L HA -0.059 4.280 4.340 -0.001 0.000 0.274 516 L C 0.899 177.718 176.870 -0.085 0.000 1.209 516 L CA 0.531 55.216 54.840 -0.258 0.000 0.930 516 L CB 0.077 41.664 42.059 -0.787 0.000 1.183 516 L HN 0.466 nan 8.230 nan 0.000 0.492 517 R N 2.515 122.975 120.500 -0.065 0.000 3.211 517 R HA -0.229 4.111 4.340 -0.001 0.000 0.240 517 R C 1.148 177.498 176.300 0.082 0.000 0.915 517 R CA 0.603 56.712 56.100 0.015 0.000 0.621 517 R CB -1.560 28.761 30.300 0.036 0.000 1.008 517 R HN 0.713 nan 8.270 nan 0.000 0.471 518 V N 0.298 120.262 119.914 0.084 0.000 2.392 518 V HA -0.340 3.780 4.120 -0.001 0.000 0.249 518 V C 2.326 178.487 176.094 0.111 0.000 1.059 518 V CA 2.574 64.938 62.300 0.108 0.000 1.051 518 V CB -0.049 31.834 31.823 0.101 0.000 0.658 518 V HN 0.506 nan 8.190 nan 0.000 0.455 519 Q N -0.765 119.084 119.800 0.080 0.000 2.020 519 Q HA -0.194 4.145 4.340 -0.001 0.000 0.202 519 Q C 2.116 178.174 176.000 0.096 0.000 0.982 519 Q CA 2.412 58.250 55.803 0.059 0.000 0.838 519 Q CB -0.335 28.407 28.738 0.007 0.000 0.899 519 Q HN 0.528 nan 8.270 nan 0.000 0.423 520 M N -0.985 118.693 119.600 0.130 0.000 2.175 520 M HA -0.125 4.355 4.480 -0.001 0.000 0.264 520 M C 2.348 178.925 176.300 0.462 0.000 1.063 520 M CA 0.897 56.348 55.300 0.251 0.000 1.119 520 M CB -1.213 31.597 32.600 0.351 0.000 1.377 520 M HN 0.332 nan 8.290 nan 0.000 0.415 521 c N -0.337 118.488 118.600 0.374 0.000 2.432 521 c HA -0.039 4.530 4.570 -0.001 0.000 0.280 521 c C 2.934 177.208 174.090 0.305 0.000 1.353 521 c CA 0.282 56.841 56.329 0.383 0.000 1.766 521 c CB -0.926 41.738 42.510 0.258 0.000 1.924 521 c HN 0.320 nan 8.230 nan 0.000 0.509 522 V N 0.406 120.462 119.914 0.236 0.000 2.427 522 V HA -0.202 3.918 4.120 -0.001 0.000 0.248 522 V C 2.020 178.233 176.094 0.198 0.000 1.051 522 V CA 2.056 64.466 62.300 0.183 0.000 1.048 522 V CB -0.753 31.151 31.823 0.135 0.000 0.666 522 V HN 0.572 nan 8.190 nan 0.000 0.456 523 F N -0.034 119.959 119.950 0.072 0.000 2.075 523 F HA -0.182 4.345 4.527 -0.001 0.000 0.297 523 F C 1.993 177.791 175.800 -0.005 0.000 1.113 523 F CA 1.728 59.725 58.000 -0.004 0.000 1.218 523 F CB -0.406 38.474 39.000 -0.201 0.000 0.984 523 F HN 0.162 nan 8.300 nan 0.000 0.472 524 W N 0.823 122.232 121.300 0.182 0.000 2.418 524 W HA -0.045 4.614 4.660 -0.001 0.000 0.292 524 W C 2.189 178.690 176.519 -0.030 0.000 1.213 524 W CA 1.402 58.784 57.345 0.062 0.000 1.283 524 W CB -0.635 28.972 29.460 0.245 0.000 1.119 524 W HN 0.040 nan 8.180 nan 0.000 0.542 525 N N -1.116 117.710 118.700 0.210 0.000 2.409 525 N HA -0.052 4.688 4.740 -0.001 0.000 0.174 525 N C 1.428 176.937 175.510 -0.003 0.000 1.037 525 N CA 0.618 53.703 53.050 0.058 0.000 0.898 525 N CB 0.068 38.605 38.487 0.085 0.000 1.010 525 N HN 0.101 nan 8.380 nan 0.000 0.445 526 Q N -0.493 119.324 119.800 0.028 0.000 2.652 526 Q HA 0.223 4.562 4.340 -0.001 0.000 0.211 526 Q C 1.235 177.229 176.000 -0.009 0.000 0.858 526 Q CA 0.122 55.939 55.803 0.024 0.000 0.895 526 Q CB -0.248 28.539 28.738 0.081 0.000 1.194 526 Q HN 0.126 nan 8.270 nan 0.000 0.645 527 F N 0.867 120.721 119.950 -0.159 0.000 2.051 527 F HA -0.180 4.347 4.527 -0.001 0.000 0.296 527 F C 1.819 177.420 175.800 -0.331 0.000 1.122 527 F CA 1.225 59.094 58.000 -0.218 0.000 1.201 527 F CB -0.490 38.394 39.000 -0.193 0.000 0.978 527 F HN 0.177 nan 8.300 nan 0.000 0.472 528 L N 1.085 121.876 121.223 -0.721 0.000 2.012 528 L HA -0.105 4.234 4.340 -0.001 0.000 0.210 528 L C -0.841 175.758 176.870 -0.452 0.000 1.073 528 L CA 2.225 56.604 54.840 -0.767 0.000 0.748 528 L CB -1.968 39.574 42.059 -0.862 0.000 0.891 528 L HN 0.010 nan 8.230 nan 0.000 0.431 529 P HA -0.203 nan 4.420 nan 0.000 0.216 529 P C 1.487 178.669 177.300 -0.197 0.000 1.150 529 P CA 1.597 64.598 63.100 -0.165 0.000 0.837 529 P CB -0.041 31.594 31.700 -0.108 0.000 0.786 530 K N -0.281 119.968 120.400 -0.253 0.000 2.057 530 K HA -0.124 4.195 4.320 -0.001 0.000 0.206 530 K C 2.027 178.451 176.600 -0.293 0.000 1.050 530 K CA 0.966 57.116 56.287 -0.229 0.000 0.935 530 K CB -0.731 31.648 32.500 -0.201 0.000 0.715 530 K HN 0.051 nan 8.250 nan 0.000 0.439 531 L N 1.018 121.944 121.223 -0.494 0.000 2.017 531 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 531 L C 2.045 178.761 176.870 -0.257 0.000 1.073 531 L CA 1.273 55.842 54.840 -0.453 0.000 0.745 531 L CB -0.177 41.470 42.059 -0.687 0.000 0.894 531 L HN 0.233 nan 8.230 nan 0.000 0.432 532 L N 0.110 121.194 121.223 -0.232 0.000 2.131 532 L HA -0.228 4.112 4.340 -0.001 0.000 0.210 532 L C 2.417 179.230 176.870 -0.095 0.000 1.092 532 L CA 1.394 56.151 54.840 -0.138 0.000 0.759 532 L CB -0.831 41.170 42.059 -0.098 0.000 0.903 532 L HN 0.507 nan 8.230 nan 0.000 0.435 533 N N 0.564 119.203 118.700 -0.102 0.000 2.354 533 N HA -0.091 4.649 4.740 -0.001 0.000 0.179 533 N C 1.675 177.146 175.510 -0.065 0.000 1.021 533 N CA 1.142 54.150 53.050 -0.070 0.000 0.887 533 N CB 0.336 38.783 38.487 -0.068 0.000 0.974 533 N HN 0.281 nan 8.380 nan 0.000 0.437 534 A N -0.153 122.616 122.820 -0.084 0.000 2.072 534 A HA 0.018 4.337 4.320 -0.001 0.000 0.216 534 A C 2.045 179.596 177.584 -0.055 0.000 1.156 534 A CA 1.547 53.544 52.037 -0.066 0.000 0.701 534 A CB -0.313 18.642 19.000 -0.075 0.000 0.816 534 A HN 0.559 nan 8.150 nan 0.000 0.458 535 T N -4.706 109.810 114.554 -0.064 0.000 3.056 535 T HA 0.635 4.984 4.350 -0.001 0.000 0.243 535 T C 0.583 175.259 174.700 -0.039 0.000 0.995 535 T CA 0.976 63.046 62.100 -0.049 0.000 1.091 535 T CB 0.168 69.001 68.868 -0.058 0.000 0.990 535 T HN 1.340 nan 8.240 nan 0.000 0.464 536 A N 0.000 122.794 122.820 -0.044 0.000 2.254 536 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 536 A CA 0.000 nan 52.037 nan 0.000 0.836 536 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 536 A HN 0.000 nan 8.150 nan 0.000 0.486