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 1gpn_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 EPHSXXXKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.657 174.600 0.095 0.000 1.055 4 S CA 0.000 58.238 58.200 0.064 0.000 1.107 4 S CB 0.000 63.235 63.200 0.058 0.000 0.593 5 E N 2.838 123.104 120.200 0.109 0.000 2.267 5 E HA -0.055 4.295 4.350 -0.001 0.000 0.197 5 E C 0.974 177.714 176.600 0.235 0.000 0.998 5 E CA 1.174 57.669 56.400 0.158 0.000 0.830 5 E CB -0.059 29.733 29.700 0.152 0.000 0.751 5 E HN 0.742 nan 8.360 nan 0.000 0.491 6 L N 0.911 122.239 121.223 0.175 0.000 2.629 6 L HA 0.206 4.546 4.340 -0.001 0.000 0.230 6 L C 0.195 177.260 176.870 0.326 0.000 1.151 6 L CA -0.098 54.851 54.840 0.182 0.000 0.924 6 L CB 0.229 42.296 42.059 0.013 0.000 1.137 6 L HN 0.065 nan 8.230 nan 0.000 0.457 7 L N 0.514 121.899 121.223 0.271 0.000 2.325 7 L HA 0.542 4.881 4.340 -0.001 0.000 0.281 7 L C -0.948 175.991 176.870 0.116 0.000 1.004 7 L CA -0.450 54.520 54.840 0.216 0.000 0.823 7 L CB 2.380 44.512 42.059 0.121 0.000 1.236 7 L HN -0.244 nan 8.230 nan 0.000 0.415 8 V N 2.578 122.518 119.914 0.044 0.000 2.686 8 V HA 0.352 4.472 4.120 -0.001 0.000 0.306 8 V C -0.766 175.218 176.094 -0.185 0.000 1.065 8 V CA -0.917 61.238 62.300 -0.242 0.000 0.894 8 V CB 2.186 33.505 31.823 -0.840 0.000 1.004 8 V HN 0.672 nan 8.190 nan 0.000 0.424 9 N N 2.456 121.003 118.700 -0.256 0.000 2.426 9 N HA 0.566 5.306 4.740 -0.001 0.000 0.257 9 N C 0.060 175.262 175.510 -0.514 0.000 1.002 9 N CA -0.388 52.495 53.050 -0.278 0.000 0.942 9 N CB 1.529 39.848 38.487 -0.279 0.000 1.112 9 N HN 0.887 nan 8.380 nan 0.000 0.499 10 T N -1.540 112.809 114.554 -0.341 0.000 2.937 10 T HA 0.354 4.703 4.350 -0.001 0.000 0.283 10 T C 0.890 175.354 174.700 -0.393 0.000 1.012 10 T CA -0.760 61.113 62.100 -0.378 0.000 0.997 10 T CB 1.314 70.229 68.868 0.078 0.000 1.136 10 T HN 0.268 nan 8.240 nan 0.000 0.551 11 K N 0.205 120.428 120.400 -0.296 0.000 2.362 11 K HA 0.037 4.356 4.320 -0.001 0.000 0.200 11 K C 1.902 178.367 176.600 -0.224 0.000 1.046 11 K CA 0.862 57.015 56.287 -0.223 0.000 0.952 11 K CB -0.048 32.383 32.500 -0.115 0.000 0.753 11 K HN 0.433 nan 8.250 nan 0.000 0.466 12 S N -0.262 115.299 115.700 -0.230 0.000 2.535 12 S HA 0.206 4.676 4.470 -0.001 0.000 0.214 12 S C 0.472 174.399 174.600 -1.122 0.000 0.980 12 S CA 0.216 58.163 58.200 -0.422 0.000 0.907 12 S CB 0.955 64.104 63.200 -0.084 0.000 0.790 12 S HN 0.548 nan 8.310 nan 0.000 0.510 13 G N 1.210 109.533 108.800 -0.794 0.000 2.347 13 G HA2 0.097 4.056 3.960 -0.001 0.000 0.341 13 G HA3 0.097 4.056 3.960 -0.001 0.000 0.341 13 G C -1.449 173.344 174.900 -0.178 0.000 1.287 13 G CA -1.121 43.477 45.100 -0.837 0.000 0.984 13 G HN 0.132 nan 8.290 nan 0.000 0.526 14 K N -0.384 120.105 120.400 0.148 0.000 2.205 14 K HA 0.662 4.982 4.320 -0.001 0.000 0.279 14 K C 0.329 177.295 176.600 0.611 0.000 1.027 14 K CA -0.307 56.161 56.287 0.301 0.000 0.932 14 K CB 1.337 33.960 32.500 0.205 0.000 1.032 14 K HN 1.290 nan 8.250 nan 0.000 0.466 15 V N 1.317 121.512 119.914 0.469 0.000 2.823 15 V HA 0.656 4.776 4.120 -0.001 0.000 0.312 15 V C -0.982 175.396 176.094 0.473 0.000 1.072 15 V CA -1.126 61.504 62.300 0.549 0.000 0.937 15 V CB 1.684 33.878 31.823 0.618 0.000 1.013 15 V HN 0.875 nan 8.190 nan 0.000 0.430 16 M N 4.380 124.237 119.600 0.429 0.000 2.181 16 M HA 0.846 5.326 4.480 -0.001 0.000 0.323 16 M C 0.191 176.631 176.300 0.233 0.000 1.004 16 M CA 0.271 55.760 55.300 0.315 0.000 0.941 16 M CB 0.983 33.682 32.600 0.166 0.000 1.579 16 M HN 1.133 nan 8.290 nan 0.000 0.427 17 G N 1.570 110.397 108.800 0.045 0.000 2.574 17 G HA2 0.648 4.608 3.960 -0.001 0.000 0.248 17 G HA3 0.648 4.608 3.960 -0.001 0.000 0.248 17 G C -1.025 173.679 174.900 -0.326 0.000 1.422 17 G CA -0.277 44.514 45.100 -0.516 0.000 1.051 17 G HN 0.712 nan 8.290 nan 0.000 0.560 18 T N -1.862 112.451 114.554 -0.401 0.000 2.894 18 T HA 0.516 4.866 4.350 -0.001 0.000 0.309 18 T C -0.813 173.768 174.700 -0.198 0.000 1.208 18 T CA -0.535 61.428 62.100 -0.229 0.000 1.016 18 T CB 1.475 70.230 68.868 -0.189 0.000 1.192 18 T HN 0.434 nan 8.240 nan 0.000 0.491 19 R N 1.123 121.556 120.500 -0.112 0.000 2.357 19 R HA 0.710 5.050 4.340 -0.001 0.000 0.296 19 R C -0.058 176.222 176.300 -0.035 0.000 1.052 19 R CA -0.308 55.765 56.100 -0.045 0.000 0.988 19 R CB 0.701 30.973 30.300 -0.046 0.000 1.025 19 R HN 0.794 nan 8.270 nan 0.000 0.469 20 V N 0.685 120.608 119.914 0.015 0.000 2.656 20 V HA 0.771 4.890 4.120 -0.001 0.000 0.307 20 V C -2.557 173.546 176.094 0.015 0.000 1.051 20 V CA -2.873 59.429 62.300 0.002 0.000 0.893 20 V CB 2.279 34.110 31.823 0.014 0.000 0.999 20 V HN 0.800 nan 8.190 nan 0.000 0.426 21 P HA 0.469 nan 4.420 nan 0.000 0.277 21 P C -0.904 176.337 177.300 -0.097 0.000 1.240 21 P CA -0.196 62.887 63.100 -0.028 0.000 0.798 21 P CB 2.044 33.731 31.700 -0.020 0.000 0.979 22 V N 4.893 124.702 119.914 -0.176 0.000 2.737 22 V HA 0.153 4.272 4.120 -0.001 0.000 0.298 22 V C -0.072 175.840 176.094 -0.302 0.000 1.163 22 V CA -0.829 61.325 62.300 -0.245 0.000 0.925 22 V CB 0.887 32.473 31.823 -0.396 0.000 1.037 22 V HN 0.510 nan 8.190 nan 0.000 0.433 23 L N 5.454 126.628 121.223 -0.083 0.000 3.854 23 L HA -0.200 4.139 4.340 -0.001 0.000 0.460 23 L C 0.884 177.706 176.870 -0.079 0.000 1.228 23 L CA 0.955 55.767 54.840 -0.046 0.000 0.760 23 L CB -1.783 40.287 42.059 0.018 0.000 1.597 23 L HN 1.117 nan 8.230 nan 0.000 0.852 24 S N -1.597 114.066 115.700 -0.061 0.000 3.706 24 S HA -0.144 4.326 4.470 -0.001 0.000 0.363 24 S C 0.258 174.832 174.600 -0.043 0.000 0.999 24 S CA 1.217 59.399 58.200 -0.030 0.000 1.143 24 S CB -0.613 62.589 63.200 0.004 0.000 0.902 24 S HN 0.860 nan 8.310 nan 0.000 0.476 25 S N -0.413 115.219 115.700 -0.113 0.000 2.714 25 S HA 0.750 5.220 4.470 -0.001 0.000 0.280 25 S C -1.501 173.043 174.600 -0.093 0.000 1.200 25 S CA -0.174 57.961 58.200 -0.110 0.000 0.900 25 S CB 1.121 64.175 63.200 -0.244 0.000 1.235 25 S HN 1.032 nan 8.310 nan 0.000 0.512 26 H N -0.363 118.635 119.070 -0.119 0.000 3.037 26 H HA 0.836 5.392 4.556 -0.001 0.000 0.355 26 H C -0.656 174.678 175.328 0.010 0.000 1.263 26 H CA -0.653 55.350 56.048 -0.074 0.000 1.129 26 H CB 0.767 30.512 29.762 -0.029 0.000 1.861 26 H HN 0.818 nan 8.280 nan 0.000 0.546 27 I N -1.341 119.272 120.570 0.071 0.000 3.279 27 I HA 0.731 4.900 4.170 -0.001 0.000 0.315 27 I C -1.194 175.023 176.117 0.167 0.000 1.187 27 I CA -1.220 60.158 61.300 0.129 0.000 0.953 27 I CB 2.534 40.641 38.000 0.178 0.000 1.279 27 I HN 0.593 nan 8.210 nan 0.000 0.465 28 S N 1.373 117.176 115.700 0.172 0.000 2.578 28 S HA 0.860 5.330 4.470 -0.001 0.000 0.283 28 S C -0.288 174.301 174.600 -0.017 0.000 1.195 28 S CA -0.556 57.672 58.200 0.046 0.000 1.050 28 S CB 1.570 64.842 63.200 0.121 0.000 1.012 28 S HN 0.915 nan 8.310 nan 0.000 0.511 29 A N 1.732 124.358 122.820 -0.324 0.000 2.427 29 A HA 0.753 5.072 4.320 -0.001 0.000 0.298 29 A C -1.471 175.748 177.584 -0.609 0.000 1.036 29 A CA -0.668 51.114 52.037 -0.425 0.000 0.701 29 A CB 0.585 19.307 19.000 -0.464 0.000 1.250 29 A HN 0.641 nan 8.150 nan 0.000 0.412 30 F N 2.862 122.703 119.950 -0.182 0.000 2.359 30 F HA 0.468 4.995 4.527 -0.001 0.000 0.369 30 F C -0.074 175.631 175.800 -0.158 0.000 1.084 30 F CA -0.352 57.622 58.000 -0.043 0.000 1.096 30 F CB 1.183 40.273 39.000 0.150 0.000 1.335 30 F HN 0.371 nan 8.300 nan 0.000 0.457 31 L N 2.083 123.269 121.223 -0.063 0.000 2.343 31 L HA 0.668 5.008 4.340 -0.001 0.000 0.275 31 L C 1.062 177.978 176.870 0.077 0.000 1.056 31 L CA -0.936 53.867 54.840 -0.061 0.000 0.804 31 L CB 1.338 43.285 42.059 -0.187 0.000 1.203 31 L HN 0.822 nan 8.230 nan 0.000 0.440 32 G N 2.947 111.817 108.800 0.116 0.000 2.272 32 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.280 32 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.280 32 G C -0.134 174.884 174.900 0.197 0.000 1.067 32 G CA -0.275 44.894 45.100 0.115 0.000 0.902 32 G HN 0.475 nan 8.290 nan 0.000 0.500 33 I N 2.235 122.844 120.570 0.065 0.000 2.396 33 I HA 0.231 4.401 4.170 -0.001 0.000 0.289 33 I C -1.362 174.574 176.117 -0.303 0.000 1.056 33 I CA -2.169 58.991 61.300 -0.233 0.000 1.365 33 I CB 1.213 39.048 38.000 -0.275 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 -0.351 176.539 177.300 -0.683 0.000 1.230 34 P CA -0.005 62.584 63.100 -0.851 0.000 0.776 34 P CB 0.687 31.831 31.700 -0.926 0.000 0.888 35 F N 0.619 120.230 119.950 -0.566 0.000 2.746 35 F HA 0.748 5.275 4.527 -0.001 0.000 0.320 35 F C -0.019 175.673 175.800 -0.179 0.000 1.097 35 F CA -0.952 56.785 58.000 -0.438 0.000 1.195 35 F CB 0.039 38.786 39.000 -0.422 0.000 1.056 35 F HN 0.379 nan 8.300 nan 0.000 0.562 36 A N -0.109 122.395 122.820 -0.526 0.000 2.609 36 A HA 0.622 4.942 4.320 -0.001 0.000 0.291 36 A C -0.951 176.454 177.584 -0.297 0.000 1.096 36 A CA -0.778 51.096 52.037 -0.271 0.000 0.684 36 A CB 1.038 19.890 19.000 -0.246 0.000 1.282 36 A HN 0.030 nan 8.150 nan 0.000 0.412 37 E N 0.799 120.913 120.200 -0.142 0.000 2.383 37 E HA 0.308 4.657 4.350 -0.001 0.000 0.264 37 E C -2.358 174.154 176.600 -0.147 0.000 1.050 37 E CA -1.511 54.824 56.400 -0.108 0.000 0.896 37 E CB 0.106 29.785 29.700 -0.034 0.000 0.982 37 E HN 0.238 nan 8.360 nan 0.000 0.424 38 P HA 0.025 nan 4.420 nan 0.000 0.262 38 P C -2.240 175.012 177.300 -0.079 0.000 1.199 38 P CA -0.725 62.312 63.100 -0.105 0.000 0.763 38 P CB -0.004 31.672 31.700 -0.040 0.000 0.790 39 P HA -0.012 nan 4.420 nan 0.000 0.237 39 P C -0.140 177.119 177.300 -0.069 0.000 1.723 39 P CA 0.155 63.215 63.100 -0.067 0.000 0.882 39 P CB -0.254 31.409 31.700 -0.062 0.000 1.810 40 V N -3.896 115.983 119.914 -0.058 0.000 3.109 40 V HA 0.852 4.971 4.120 -0.001 0.000 0.317 40 V C 1.191 177.256 176.094 -0.048 0.000 1.074 40 V CA 0.057 62.324 62.300 -0.056 0.000 1.033 40 V CB 0.414 32.212 31.823 -0.040 0.000 1.111 40 V HN 0.501 nan 8.190 nan 0.000 0.458 41 G N 2.084 110.857 108.800 -0.046 0.000 2.651 41 G HA2 -0.402 3.558 3.960 -0.001 0.000 0.315 41 G HA3 -0.402 3.558 3.960 -0.001 0.000 0.315 41 G C 0.766 175.643 174.900 -0.038 0.000 1.258 41 G CA 0.964 46.044 45.100 -0.033 0.000 1.002 41 G HN 1.301 nan 8.290 nan 0.000 0.551 42 N N 0.642 119.333 118.700 -0.016 0.000 2.519 42 N HA -0.042 4.697 4.740 -0.001 0.000 0.186 42 N C 2.243 177.750 175.510 -0.006 0.000 1.062 42 N CA 1.813 54.862 53.050 -0.002 0.000 0.910 42 N CB -0.197 38.295 38.487 0.009 0.000 0.958 42 N HN 0.451 nan 8.380 nan 0.000 0.445 43 M N -0.124 119.461 119.600 -0.024 0.000 2.506 43 M HA 0.133 4.613 4.480 -0.001 0.000 0.260 43 M C 1.043 177.309 176.300 -0.055 0.000 1.104 43 M CA 0.195 55.481 55.300 -0.023 0.000 1.112 43 M CB -0.991 31.595 32.600 -0.024 0.000 1.401 43 M HN 0.210 nan 8.290 nan 0.000 0.473 44 R N 0.559 120.979 120.500 -0.132 0.000 2.538 44 R HA -0.086 4.253 4.340 -0.001 0.000 0.282 44 R C -0.299 175.802 176.300 -0.332 0.000 1.009 44 R CA 0.588 56.489 56.100 -0.332 0.000 1.063 44 R CB 0.096 30.068 30.300 -0.546 0.000 0.945 44 R HN 0.209 nan 8.270 nan 0.000 0.414 45 F N -0.442 119.508 119.950 -0.000 0.000 2.496 45 F HA -0.298 4.228 4.527 -0.001 0.000 0.523 45 F C 0.617 176.395 175.800 -0.037 0.000 0.526 45 F CA 1.008 58.979 58.000 -0.047 0.000 1.272 45 F CB -1.403 37.554 39.000 -0.072 0.000 1.968 45 F HN 0.633 nan 8.300 nan 0.000 0.263 46 R N 1.361 121.930 120.500 0.116 0.000 2.637 46 R HA 0.468 4.807 4.340 -0.001 0.000 0.269 46 R C 0.685 177.013 176.300 0.046 0.000 1.089 46 R CA -0.819 55.325 56.100 0.073 0.000 1.177 46 R CB 0.474 30.803 30.300 0.048 0.000 1.091 46 R HN 0.102 nan 8.270 nan 0.000 0.540 47 R N 2.038 122.563 120.500 0.042 0.000 2.679 47 R HA 0.053 4.393 4.340 -0.001 0.000 0.268 47 R C -1.875 174.449 176.300 0.039 0.000 1.044 47 R CA -1.025 55.099 56.100 0.040 0.000 1.105 47 R CB -0.129 30.200 30.300 0.048 0.000 0.989 47 R HN 0.429 nan 8.270 nan 0.000 0.447 48 P HA 0.006 nan 4.420 nan 0.000 0.272 48 P C -0.712 176.618 177.300 0.050 0.000 1.223 48 P CA -0.080 63.048 63.100 0.047 0.000 0.784 48 P CB 0.932 32.686 31.700 0.089 0.000 0.923 49 E N 2.204 122.422 120.200 0.029 0.000 2.179 49 E HA 0.361 4.711 4.350 -0.001 0.000 0.275 49 E C -2.135 174.492 176.600 0.045 0.000 0.945 49 E CA -2.074 54.348 56.400 0.036 0.000 0.792 49 E CB 1.104 30.818 29.700 0.022 0.000 1.125 49 E HN 0.517 nan 8.360 nan 0.000 0.397 50 P HA 0.081 nan 4.420 nan 0.000 0.269 50 P C -0.479 176.868 177.300 0.079 0.000 1.209 50 P CA -0.351 62.811 63.100 0.103 0.000 0.776 50 P CB 0.554 32.321 31.700 0.112 0.000 0.876 51 K N 2.366 122.821 120.400 0.092 0.000 2.412 51 K HA 0.092 4.412 4.320 -0.001 0.000 0.281 51 K C -0.230 176.447 176.600 0.129 0.000 1.027 51 K CA -0.005 56.329 56.287 0.079 0.000 0.989 51 K CB 0.093 32.631 32.500 0.064 0.000 0.935 51 K HN 0.070 nan 8.250 nan 0.000 0.475 52 K N 5.937 126.413 120.400 0.128 0.000 2.379 52 K HA 0.191 4.511 4.320 -0.001 0.000 0.284 52 K C -2.237 174.465 176.600 0.170 0.000 1.044 52 K CA -1.411 54.951 56.287 0.125 0.000 0.974 52 K CB 0.235 32.806 32.500 0.120 0.000 0.962 52 K HN 0.676 nan 8.250 nan 0.000 0.474 53 P HA 0.115 nan 4.420 nan 0.000 0.268 53 P C -0.755 176.570 177.300 0.042 0.000 1.208 53 P CA -0.187 62.844 63.100 -0.115 0.000 0.777 53 P CB 0.283 31.877 31.700 -0.177 0.000 0.875 54 W N 0.297 121.669 121.300 0.119 0.000 2.799 54 W HA 0.747 5.406 4.660 -0.001 0.000 0.349 54 W C -0.767 175.823 176.519 0.119 0.000 1.100 54 W CA -0.756 56.675 57.345 0.143 0.000 1.174 54 W CB 0.240 29.847 29.460 0.245 0.000 1.427 54 W HN 0.100 nan 8.180 nan 0.000 0.547 55 S N 0.804 116.691 115.700 0.310 0.000 2.707 55 S HA 0.756 5.225 4.470 -0.001 0.000 0.276 55 S C 0.495 175.300 174.600 0.342 0.000 1.179 55 S CA 0.659 58.982 58.200 0.206 0.000 0.992 55 S CB 0.754 64.034 63.200 0.132 0.000 1.030 55 S HN 1.519 nan 8.310 nan 0.000 0.554 56 G N -0.142 108.796 108.800 0.229 0.000 2.698 56 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.233 56 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.233 56 G C -0.933 174.168 174.900 0.335 0.000 1.352 56 G CA -0.363 44.871 45.100 0.223 0.000 0.879 56 G HN 1.002 nan 8.290 nan 0.000 0.567 57 V N 0.542 120.604 119.914 0.247 0.000 2.384 57 V HA 0.499 4.619 4.120 -0.001 0.000 0.287 57 V C 0.321 176.531 176.094 0.193 0.000 1.020 57 V CA -0.584 61.884 62.300 0.280 0.000 0.850 57 V CB 1.762 33.689 31.823 0.173 0.000 0.987 57 V HN 0.734 nan 8.190 nan 0.000 0.436 58 W N 5.018 126.368 121.300 0.083 0.000 2.304 58 W HA 0.245 4.905 4.660 -0.001 0.000 0.313 58 W C 0.225 176.716 176.519 -0.048 0.000 1.323 58 W CA -0.474 56.757 57.345 -0.190 0.000 1.223 58 W CB 0.828 29.966 29.460 -0.537 0.000 1.237 58 W HN 0.696 nan 8.180 nan 0.000 0.535 59 N N 4.669 123.115 118.700 -0.423 0.000 2.402 59 N HA 0.203 4.942 4.740 -0.001 0.000 0.259 59 N C -0.276 175.246 175.510 0.019 0.000 1.167 59 N CA 0.232 53.175 53.050 -0.178 0.000 0.949 59 N CB 0.646 38.970 38.487 -0.271 0.000 1.212 59 N HN 0.345 nan 8.380 nan 0.000 0.493 60 A N 2.665 125.617 122.820 0.219 0.000 3.264 60 A HA 0.212 4.532 4.320 -0.001 0.000 0.299 60 A C 1.042 178.653 177.584 0.046 0.000 1.272 60 A CA -0.336 51.854 52.037 0.255 0.000 1.030 60 A CB -0.520 18.733 19.000 0.422 0.000 1.102 60 A HN 0.640 nan 8.150 nan 0.000 0.615 61 S N -1.007 114.675 115.700 -0.030 0.000 2.512 61 S HA 0.154 4.624 4.470 -0.001 0.000 0.216 61 S C 0.765 175.282 174.600 -0.138 0.000 1.006 61 S CA 0.618 58.753 58.200 -0.109 0.000 0.915 61 S CB -0.204 62.937 63.200 -0.099 0.000 0.824 61 S HN 0.814 nan 8.310 nan 0.000 0.497 62 T N -0.765 113.726 114.554 -0.104 0.000 2.900 62 T HA 0.638 4.988 4.350 -0.001 0.000 0.295 62 T C -0.823 173.857 174.700 -0.034 0.000 1.044 62 T CA -0.752 61.283 62.100 -0.109 0.000 0.995 62 T CB 0.756 69.577 68.868 -0.078 0.000 1.072 62 T HN 0.060 nan 8.240 nan 0.000 0.473 63 Y N 3.026 123.292 120.300 -0.056 0.000 2.683 63 Y HA 0.282 4.832 4.550 -0.001 0.000 0.340 63 Y C -1.402 174.436 175.900 -0.102 0.000 1.245 63 Y CA -1.209 56.861 58.100 -0.050 0.000 1.485 63 Y CB 0.070 38.522 38.460 -0.012 0.000 1.328 63 Y HN 0.550 nan 8.280 nan 0.000 0.603 64 P HA 0.161 nan 4.420 nan 0.000 0.284 64 P C -0.974 176.249 177.300 -0.129 0.000 1.292 64 P CA -0.592 62.385 63.100 -0.204 0.000 0.800 64 P CB 1.194 32.663 31.700 -0.386 0.000 1.188 65 N N -0.590 118.008 118.700 -0.170 0.000 2.371 65 N HA 0.108 4.847 4.740 -0.001 0.000 0.243 65 N C -0.003 175.478 175.510 -0.048 0.000 1.287 65 N CA -0.063 52.934 53.050 -0.089 0.000 0.911 65 N CB -0.011 38.431 38.487 -0.074 0.000 1.142 65 N HN 0.416 nan 8.380 nan 0.000 0.451 66 N N -0.567 118.096 118.700 -0.062 0.000 2.466 66 N HA 0.345 5.084 4.740 -0.001 0.000 0.294 66 N C -0.831 174.637 175.510 -0.070 0.000 1.129 66 N CA -0.789 52.219 53.050 -0.070 0.000 0.931 66 N CB 1.086 39.505 38.487 -0.114 0.000 1.193 66 N HN 0.392 nan 8.380 nan 0.000 0.500 67 c N 1.212 119.772 118.600 -0.065 0.000 2.689 67 c HA 0.031 4.600 4.570 -0.001 0.000 0.409 67 c C 0.673 174.674 174.090 -0.149 0.000 1.293 67 c CA -0.528 55.743 56.329 -0.098 0.000 2.136 67 c CB -0.150 42.330 42.510 -0.051 0.000 2.719 67 c HN 0.529 nan 8.230 nan 0.000 0.644 68 Q N 2.565 122.195 119.800 -0.283 0.000 2.274 68 Q HA 0.194 4.533 4.340 -0.001 0.000 0.280 68 Q C -0.056 175.876 176.000 -0.114 0.000 1.047 68 Q CA 1.001 56.617 55.803 -0.312 0.000 0.907 68 Q CB 0.424 28.726 28.738 -0.727 0.000 1.171 68 Q HN 0.876 nan 8.270 nan 0.000 0.381 69 Q N 1.400 121.219 119.800 0.031 0.000 2.522 69 Q HA 0.295 4.634 4.340 -0.001 0.000 0.285 69 Q C -1.251 174.902 176.000 0.255 0.000 0.982 69 Q CA -1.033 54.883 55.803 0.189 0.000 0.805 69 Q CB 0.741 29.555 28.738 0.126 0.000 1.457 69 Q HN 0.471 nan 8.270 nan 0.000 0.394 70 Y N 1.236 121.709 120.300 0.287 0.000 2.620 70 Y HA 0.292 4.841 4.550 -0.001 0.000 0.330 70 Y C -1.008 175.048 175.900 0.260 0.000 1.186 70 Y CA 0.330 58.628 58.100 0.330 0.000 1.467 70 Y CB 0.748 39.523 38.460 0.525 0.000 1.262 70 Y HN 0.447 nan 8.280 nan 0.000 0.550 71 V N 6.884 126.527 119.914 -0.451 0.000 2.398 71 V HA 0.110 4.230 4.120 -0.001 0.000 0.286 71 V C -0.470 175.289 176.094 -0.559 0.000 1.026 71 V CA -0.987 61.118 62.300 -0.324 0.000 0.868 71 V CB 1.476 33.195 31.823 -0.173 0.000 0.982 71 V HN 0.744 nan 8.190 nan 0.000 0.443 72 D N 3.890 124.182 120.400 -0.180 0.000 2.346 72 D HA 0.111 4.750 4.640 -0.001 0.000 0.260 72 D C 0.586 176.901 176.300 0.025 0.000 1.252 72 D CA 0.269 54.271 54.000 0.003 0.000 0.895 72 D CB 0.734 41.674 40.800 0.233 0.000 1.097 72 D HN 0.660 nan 8.370 nan 0.000 0.489 73 E N 2.690 122.875 120.200 -0.025 0.000 2.651 73 E HA -0.038 4.311 4.350 -0.001 0.000 0.208 73 E C 0.766 177.334 176.600 -0.054 0.000 0.997 73 E CA -0.139 56.254 56.400 -0.013 0.000 1.020 73 E CB 0.691 30.363 29.700 -0.047 0.000 1.052 73 E HN 0.360 nan 8.360 nan 0.000 0.465 74 Q N 0.019 119.762 119.800 -0.096 0.000 2.224 74 Q HA -0.069 4.270 4.340 -0.001 0.000 0.203 74 Q C -0.232 175.277 176.000 -0.819 0.000 0.970 74 Q CA 1.308 56.814 55.803 -0.495 0.000 0.865 74 Q CB 0.190 28.506 28.738 -0.703 0.000 0.922 74 Q HN 0.141 nan 8.270 nan 0.000 0.445 75 F N 0.170 120.192 119.950 0.120 0.000 2.646 75 F HA 0.410 4.936 4.527 -0.001 0.000 0.336 75 F C -2.279 173.602 175.800 0.136 0.000 1.437 75 F CA -2.914 55.144 58.000 0.096 0.000 1.142 75 F CB 1.043 40.116 39.000 0.122 0.000 1.530 75 F HN -0.143 nan 8.300 nan 0.000 0.591 76 P HA 0.139 nan 4.420 nan 0.000 0.260 76 P C 1.051 178.440 177.300 0.149 0.000 1.172 76 P CA 1.501 64.678 63.100 0.129 0.000 0.760 76 P CB 0.611 32.349 31.700 0.065 0.000 0.773 77 G N 2.585 111.463 108.800 0.130 0.000 2.253 77 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.251 77 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.251 77 G C 0.006 174.995 174.900 0.149 0.000 0.998 77 G CA -0.401 44.763 45.100 0.106 0.000 0.621 77 G HN 0.541 nan 8.290 nan 0.000 0.524 78 F N 3.484 123.446 119.950 0.020 0.000 2.472 78 F HA 0.515 5.041 4.527 -0.001 0.000 0.364 78 F C 1.720 177.479 175.800 -0.069 0.000 1.090 78 F CA -0.184 57.778 58.000 -0.062 0.000 1.188 78 F CB 1.079 40.028 39.000 -0.085 0.000 1.105 78 F HN 0.264 nan 8.300 nan 0.000 0.536 79 S N 3.594 118.966 115.700 -0.547 0.000 2.383 79 S HA -0.149 4.320 4.470 -0.001 0.000 0.229 79 S C 2.277 176.489 174.600 -0.646 0.000 1.030 79 S CA 1.033 58.931 58.200 -0.503 0.000 1.002 79 S CB -1.368 61.583 63.200 -0.416 0.000 0.829 79 S HN 0.826 nan 8.310 nan 0.000 0.467 80 G N 1.951 109.847 108.800 -1.507 0.000 2.513 80 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.219 80 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.219 80 G C 1.781 176.873 174.900 0.321 0.000 1.160 80 G CA 1.710 46.185 45.100 -1.041 0.000 0.767 80 G HN 0.849 nan 8.290 nan 0.000 0.571 81 S N -0.382 115.530 115.700 0.354 0.000 2.475 81 S HA 0.119 4.589 4.470 -0.001 0.000 0.224 81 S C 1.876 176.746 174.600 0.449 0.000 1.042 81 S CA 0.803 59.480 58.200 0.794 0.000 0.935 81 S CB 0.022 63.815 63.200 0.988 0.000 0.801 81 S HN 0.279 nan 8.310 nan 0.000 0.509 82 E N 2.686 123.003 120.200 0.195 0.000 2.153 82 E HA -0.140 4.209 4.350 -0.001 0.000 0.194 82 E C 2.098 178.678 176.600 -0.032 0.000 0.988 82 E CA 1.452 57.897 56.400 0.075 0.000 0.811 82 E CB -0.611 29.091 29.700 0.004 0.000 0.746 82 E HN 0.885 nan 8.360 nan 0.000 0.466 83 M N -2.357 117.155 119.600 -0.146 0.000 2.539 83 M HA -0.080 4.399 4.480 -0.001 0.000 0.261 83 M C 1.130 177.061 176.300 -0.616 0.000 1.069 83 M CA 1.371 56.421 55.300 -0.417 0.000 1.081 83 M CB -0.445 31.815 32.600 -0.567 0.000 1.412 83 M HN -0.001 nan 8.290 nan 0.000 0.482 84 W N 0.559 121.795 121.300 -0.105 0.000 2.993 84 W HA 0.305 4.964 4.660 -0.001 0.000 0.290 84 W C 0.511 176.938 176.519 -0.154 0.000 1.203 84 W CA -0.764 56.481 57.345 -0.166 0.000 1.582 84 W CB -0.049 29.332 29.460 -0.132 0.000 1.033 84 W HN 0.084 nan 8.180 nan 0.000 0.594 85 N N 1.532 120.273 118.700 0.070 0.000 2.467 85 N HA 0.131 4.870 4.740 -0.001 0.000 0.262 85 N C -2.476 172.995 175.510 -0.066 0.000 1.234 85 N CA -1.304 51.753 53.050 0.011 0.000 0.952 85 N CB -0.158 38.341 38.487 0.020 0.000 1.158 85 N HN -0.371 nan 8.380 nan 0.000 0.463 86 P HA 0.023 nan 4.420 nan 0.000 0.262 86 P C 0.163 177.406 177.300 -0.095 0.000 1.182 86 P CA 0.129 63.166 63.100 -0.104 0.000 0.761 86 P CB 0.241 31.888 31.700 -0.088 0.000 0.795 87 N N 2.462 121.095 118.700 -0.113 0.000 2.234 87 N HA 0.104 4.844 4.740 -0.001 0.000 0.227 87 N C 0.054 175.523 175.510 -0.068 0.000 1.151 87 N CA -0.074 52.922 53.050 -0.090 0.000 0.865 87 N CB 0.300 38.724 38.487 -0.104 0.000 1.066 87 N HN 0.137 nan 8.380 nan 0.000 0.515 88 R N -0.423 120.032 120.500 -0.074 0.000 2.799 88 R HA 0.257 4.597 4.340 -0.001 0.000 0.270 88 R C -1.006 175.258 176.300 -0.060 0.000 1.010 88 R CA -0.700 55.366 56.100 -0.058 0.000 0.916 88 R CB 1.020 31.280 30.300 -0.066 0.000 1.228 88 R HN 0.145 nan 8.270 nan 0.000 0.469 89 E N 1.707 121.875 120.200 -0.053 0.000 2.442 89 E HA 0.068 4.418 4.350 -0.001 0.000 0.262 89 E C 0.009 176.571 176.600 -0.063 0.000 1.004 89 E CA 0.183 56.550 56.400 -0.054 0.000 0.928 89 E CB 0.355 30.025 29.700 -0.050 0.000 0.937 89 E HN 0.346 nan 8.360 nan 0.000 0.446 90 M N 2.790 122.351 119.600 -0.065 0.000 2.288 90 M HA 0.412 4.892 4.480 -0.001 0.000 0.334 90 M C 0.141 176.389 176.300 -0.087 0.000 1.150 90 M CA -0.058 55.194 55.300 -0.080 0.000 1.118 90 M CB 1.726 34.276 32.600 -0.083 0.000 1.501 90 M HN 0.569 nan 8.290 nan 0.000 0.462 91 S N 0.090 115.726 115.700 -0.107 0.000 2.558 91 S HA 0.181 4.651 4.470 -0.001 0.000 0.277 91 S C -0.035 174.479 174.600 -0.143 0.000 1.143 91 S CA -0.680 57.456 58.200 -0.108 0.000 0.865 91 S CB 1.311 64.475 63.200 -0.060 0.000 1.102 91 S HN 0.834 nan 8.310 nan 0.000 0.454 92 E N 1.077 121.171 120.200 -0.176 0.000 2.338 92 E HA -0.087 4.263 4.350 -0.001 0.000 0.197 92 E C -0.209 176.333 176.600 -0.098 0.000 1.007 92 E CA 0.535 56.815 56.400 -0.200 0.000 0.849 92 E CB 0.101 29.683 29.700 -0.196 0.000 0.774 92 E HN 0.506 nan 8.360 nan 0.000 0.506 93 D N 0.506 120.882 120.400 -0.040 0.000 2.483 93 D HA 0.002 4.642 4.640 -0.001 0.000 0.220 93 D C 0.014 176.404 176.300 0.150 0.000 1.173 93 D CA -0.318 53.704 54.000 0.037 0.000 0.964 93 D CB -0.030 40.812 40.800 0.070 0.000 1.046 93 D HN 0.134 nan 8.370 nan 0.000 0.517 94 c N 2.445 121.105 118.600 0.099 0.000 3.626 94 c HA 0.392 4.961 4.570 -0.001 0.000 0.276 94 c C 0.554 174.721 174.090 0.130 0.000 1.694 94 c CA -0.697 55.751 56.329 0.198 0.000 1.785 94 c CB -1.290 41.257 42.510 0.060 0.000 3.152 94 c HN 0.419 nan 8.230 nan 0.000 0.571 95 L N 2.583 123.622 121.223 -0.307 0.000 2.375 95 L HA 0.436 4.776 4.340 -0.001 0.000 0.276 95 L C -0.889 175.180 176.870 -1.334 0.000 1.162 95 L CA 0.478 54.883 54.840 -0.726 0.000 0.991 95 L CB -0.598 40.931 42.059 -0.883 0.000 1.315 95 L HN 0.371 nan 8.230 nan 0.000 0.431 96 Y N 2.139 122.286 120.300 -0.254 0.000 2.609 96 Y HA 0.675 5.225 4.550 -0.001 0.000 0.342 96 Y C -0.160 175.884 175.900 0.240 0.000 1.058 96 Y CA -1.273 56.766 58.100 -0.102 0.000 1.055 96 Y CB 1.944 40.365 38.460 -0.064 0.000 1.292 96 Y HN 0.207 nan 8.280 nan 0.000 0.476 97 L N -0.227 121.176 121.223 0.299 0.000 2.327 97 L HA 0.778 5.117 4.340 -0.001 0.000 0.258 97 L C -1.318 175.618 176.870 0.110 0.000 1.024 97 L CA -1.153 53.813 54.840 0.210 0.000 0.825 97 L CB 1.815 43.928 42.059 0.091 0.000 1.386 97 L HN 0.461 nan 8.230 nan 0.000 0.417 98 N N 1.454 120.218 118.700 0.107 0.000 2.269 98 N HA 0.731 5.470 4.740 -0.001 0.000 0.304 98 N C -1.327 174.125 175.510 -0.098 0.000 1.072 98 N CA -0.214 52.807 53.050 -0.048 0.000 0.802 98 N CB 2.721 41.175 38.487 -0.057 0.000 1.348 98 N HN 0.664 nan 8.380 nan 0.000 0.484 99 I N 0.448 120.877 120.570 -0.235 0.000 2.499 99 I HA 0.382 4.552 4.170 -0.001 0.000 0.288 99 I C -0.751 175.329 176.117 -0.061 0.000 1.048 99 I CA -0.714 60.550 61.300 -0.059 0.000 1.062 99 I CB 2.196 40.103 38.000 -0.156 0.000 1.238 99 I HN 0.230 nan 8.210 nan 0.000 0.426 100 W N 5.849 127.275 121.300 0.210 0.000 2.429 100 W HA 0.577 5.237 4.660 -0.001 0.000 0.314 100 W C -0.973 175.676 176.519 0.218 0.000 1.062 100 W CA -0.669 56.794 57.345 0.196 0.000 1.211 100 W CB 2.151 31.697 29.460 0.143 0.000 1.305 100 W HN 0.096 nan 8.180 nan 0.000 0.476 101 V N 5.206 125.381 119.914 0.434 0.000 2.487 101 V HA 0.258 4.378 4.120 -0.001 0.000 0.298 101 V C -2.013 174.260 176.094 0.300 0.000 1.028 101 V CA -2.376 60.149 62.300 0.376 0.000 0.860 101 V CB 1.870 33.981 31.823 0.480 0.000 0.991 101 V HN 0.259 nan 8.190 nan 0.000 0.427 102 P HA 0.070 nan 4.420 nan 0.000 0.266 102 P C -0.501 176.898 177.300 0.165 0.000 1.193 102 P CA 0.365 63.574 63.100 0.182 0.000 0.770 102 P CB 0.517 32.293 31.700 0.126 0.000 0.836 103 S N 2.231 118.002 115.700 0.119 0.000 2.552 103 S HA 0.531 5.001 4.470 -0.001 0.000 0.314 103 S C -2.428 172.205 174.600 0.056 0.000 1.099 103 S CA -1.655 56.603 58.200 0.098 0.000 1.070 103 S CB 0.133 63.373 63.200 0.068 0.000 0.998 103 S HN 0.253 nan 8.310 nan 0.000 0.474 104 P HA 0.142 nan 4.420 nan 0.000 0.269 104 P C -0.483 176.884 177.300 0.112 0.000 1.215 104 P CA -0.513 62.649 63.100 0.104 0.000 0.780 104 P CB 0.402 32.153 31.700 0.084 0.000 0.898 105 R N 2.794 123.374 120.500 0.133 0.000 2.502 105 R HA 0.097 4.436 4.340 -0.001 0.000 0.292 105 R C -1.930 174.435 176.300 0.108 0.000 0.998 105 R CA -0.886 55.302 56.100 0.146 0.000 1.056 105 R CB -0.426 29.967 30.300 0.155 0.000 0.939 105 R HN 0.372 nan 8.270 nan 0.000 0.411 106 P HA 0.076 nan 4.420 nan 0.000 0.273 106 P C -0.237 177.101 177.300 0.064 0.000 1.250 106 P CA -0.409 62.736 63.100 0.076 0.000 0.793 106 P CB 0.726 32.473 31.700 0.078 0.000 1.011 107 K N -0.504 119.920 120.400 0.040 0.000 2.141 107 K HA 0.147 4.467 4.320 -0.001 0.000 0.202 107 K C 0.560 177.165 176.600 0.008 0.000 1.045 107 K CA 1.034 57.336 56.287 0.024 0.000 0.971 107 K CB -0.306 32.203 32.500 0.015 0.000 0.795 107 K HN 0.318 nan 8.250 nan 0.000 0.459 108 S N 0.883 116.586 115.700 0.006 0.000 2.592 108 S HA 0.173 4.642 4.470 -0.001 0.000 0.151 108 S C -1.003 173.595 174.600 -0.003 0.000 1.280 108 S CA -0.346 57.847 58.200 -0.011 0.000 1.187 108 S CB 0.389 63.570 63.200 -0.030 0.000 1.471 108 S HN 0.158 nan 8.310 nan 0.000 0.409 109 T N 1.617 116.180 114.554 0.014 0.000 2.938 109 T HA 0.564 4.913 4.350 -0.001 0.000 0.285 109 T C 0.089 174.798 174.700 0.015 0.000 1.028 109 T CA -0.098 62.012 62.100 0.016 0.000 1.005 109 T CB 1.188 70.076 68.868 0.032 0.000 1.157 109 T HN 0.400 nan 8.240 nan 0.000 0.550 110 T N 2.217 116.775 114.554 0.007 0.000 2.905 110 T HA 0.289 4.638 4.350 -0.001 0.000 0.299 110 T C -0.290 174.426 174.700 0.027 0.000 1.024 110 T CA -0.070 62.031 62.100 0.001 0.000 1.151 110 T CB 0.024 68.880 68.868 -0.020 0.000 0.987 110 T HN 0.390 nan 8.240 nan 0.000 0.535 111 V N 5.513 125.448 119.914 0.036 0.000 2.513 111 V HA 0.515 4.635 4.120 -0.001 0.000 0.299 111 V C 0.027 176.170 176.094 0.082 0.000 1.035 111 V CA -0.776 61.568 62.300 0.074 0.000 0.889 111 V CB 1.721 33.594 31.823 0.082 0.000 0.988 111 V HN 0.835 nan 8.190 nan 0.000 0.440 112 M N 4.366 124.038 119.600 0.120 0.000 2.321 112 M HA 0.588 5.067 4.480 -0.001 0.000 0.315 112 M C -1.329 175.195 176.300 0.374 0.000 1.052 112 M CA -0.663 54.723 55.300 0.144 0.000 0.936 112 M CB 2.314 34.866 32.600 -0.080 0.000 1.639 112 M HN 0.366 nan 8.290 nan 0.000 0.433 113 V N 2.939 123.128 119.914 0.458 0.000 2.378 113 V HA 0.349 4.469 4.120 -0.001 0.000 0.288 113 V C -0.844 175.558 176.094 0.515 0.000 1.016 113 V CA -0.668 61.889 62.300 0.428 0.000 0.840 113 V CB 1.554 33.493 31.823 0.193 0.000 0.994 113 V HN 0.867 nan 8.190 nan 0.000 0.431 114 W N 6.942 128.350 121.300 0.180 0.000 2.315 114 W HA 0.660 5.320 4.660 -0.001 0.000 0.316 114 W C -1.364 175.027 176.519 -0.212 0.000 1.211 114 W CA -0.704 56.458 57.345 -0.305 0.000 1.201 114 W CB 1.194 30.520 29.460 -0.224 0.000 1.184 114 W HN 0.443 nan 8.180 nan 0.000 0.544 115 I N 8.839 128.677 120.570 -1.220 0.000 2.411 115 I HA 0.082 4.252 4.170 -0.001 0.000 0.284 115 I C -0.342 174.943 176.117 -1.388 0.000 1.012 115 I CA -1.148 59.547 61.300 -1.010 0.000 1.119 115 I CB 0.896 38.525 38.000 -0.620 0.000 1.261 115 I HN 0.304 nan 8.210 nan 0.000 0.448 116 Y N 3.704 123.510 120.300 -0.824 0.000 2.426 116 Y HA 0.586 5.136 4.550 -0.001 0.000 0.344 116 Y C 0.852 176.596 175.900 -0.260 0.000 1.256 116 Y CA -1.420 56.364 58.100 -0.526 0.000 1.451 116 Y CB 0.302 38.692 38.460 -0.117 0.000 1.342 116 Y HN 0.570 nan 8.280 nan 0.000 0.600 117 G N 0.488 109.317 108.800 0.049 0.000 4.849 117 G HA2 0.366 4.326 3.960 -0.001 0.000 0.247 117 G HA3 0.366 4.326 3.960 -0.001 0.000 0.247 117 G C 0.149 174.894 174.900 -0.259 0.000 1.128 117 G CA -0.252 44.774 45.100 -0.123 0.000 0.864 117 G HN 1.168 nan 8.290 nan 0.000 0.567 118 G N 0.365 108.998 108.800 -0.277 0.000 3.102 118 G HA2 0.453 4.413 3.960 -0.001 0.000 0.264 118 G HA3 0.453 4.413 3.960 -0.001 0.000 0.264 118 G C 1.320 175.641 174.900 -0.965 0.000 0.788 118 G CA 0.390 45.126 45.100 -0.606 0.000 2.029 118 G HN 1.420 nan 8.290 nan 0.000 0.608 119 G N 0.804 109.079 108.800 -0.876 0.000 2.296 119 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.282 119 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.282 119 G C 0.754 175.438 174.900 -0.360 0.000 1.014 119 G CA 0.386 44.853 45.100 -1.055 0.000 0.812 119 G HN 1.203 nan 8.290 nan 0.000 0.508 120 F N -3.588 116.264 119.950 -0.164 0.000 2.871 120 F HA -0.326 4.201 4.527 -0.001 0.000 0.326 120 F C 1.497 177.367 175.800 0.115 0.000 0.675 120 F CA 2.130 60.129 58.000 -0.003 0.000 1.188 120 F CB -2.110 36.746 39.000 -0.239 0.000 1.567 120 F HN 0.866 nan 8.300 nan 0.000 0.325 121 Y N -1.115 119.237 120.300 0.087 0.000 2.453 121 Y HA 0.653 5.202 4.550 -0.001 0.000 0.247 121 Y C 0.642 176.621 175.900 0.132 0.000 1.124 121 Y CA 0.244 58.415 58.100 0.117 0.000 1.243 121 Y CB 0.028 38.463 38.460 -0.042 0.000 1.213 121 Y HN 0.094 nan 8.280 nan 0.000 0.523 122 S N -0.709 114.742 115.700 -0.415 0.000 2.643 122 S HA 0.889 5.358 4.470 -0.001 0.000 0.270 122 S C -0.293 174.114 174.600 -0.322 0.000 1.166 122 S CA -0.489 57.536 58.200 -0.292 0.000 0.815 122 S CB 1.524 64.527 63.200 -0.329 0.000 1.139 122 S HN 1.282 nan 8.310 nan 0.000 0.472 123 G N -0.200 108.374 108.800 -0.376 0.000 2.348 123 G HA2 0.434 4.394 3.960 -0.001 0.000 0.606 123 G HA3 0.434 4.394 3.960 -0.001 0.000 0.606 123 G C -1.151 173.057 174.900 -1.153 0.000 1.466 123 G CA -0.354 44.346 45.100 -0.666 0.000 0.950 123 G HN 1.332 nan 8.290 nan 0.000 0.657 124 S N -0.796 114.338 115.700 -0.945 0.000 2.540 124 S HA 0.669 5.139 4.470 -0.001 0.000 0.275 124 S C 0.934 175.454 174.600 -0.133 0.000 1.123 124 S CA 0.047 57.894 58.200 -0.588 0.000 0.907 124 S CB 1.821 64.851 63.200 -0.282 0.000 1.081 124 S HN 1.916 nan 8.310 nan 0.000 0.476 125 S N -0.097 115.673 115.700 0.118 0.000 2.603 125 S HA -0.044 4.425 4.470 -0.001 0.000 0.220 125 S C 1.275 175.960 174.600 0.143 0.000 0.967 125 S CA 0.780 59.203 58.200 0.372 0.000 0.920 125 S CB -0.624 62.816 63.200 0.400 0.000 0.773 125 S HN 0.841 nan 8.310 nan 0.000 0.529 126 T N -0.126 114.326 114.554 -0.171 0.000 3.105 126 T HA 0.421 4.770 4.350 -0.001 0.000 0.253 126 T C 0.419 174.904 174.700 -0.358 0.000 1.047 126 T CA -0.585 61.132 62.100 -0.638 0.000 0.944 126 T CB -0.541 67.796 68.868 -0.886 0.000 1.016 126 T HN 0.313 nan 8.240 nan 0.000 0.544 127 L N 2.077 123.162 121.223 -0.230 0.000 2.483 127 L HA 0.184 4.524 4.340 -0.001 0.000 0.276 127 L C 1.257 177.937 176.870 -0.317 0.000 1.213 127 L CA -0.539 54.075 54.840 -0.376 0.000 0.843 127 L CB 0.375 41.986 42.059 -0.746 0.000 1.107 127 L HN 0.079 nan 8.230 nan 0.000 0.487 128 D N 1.356 121.585 120.400 -0.285 0.000 2.182 128 D HA -0.156 4.484 4.640 -0.001 0.000 0.201 128 D C 1.922 178.053 176.300 -0.283 0.000 0.986 128 D CA 1.023 54.913 54.000 -0.184 0.000 0.847 128 D CB 0.140 40.843 40.800 -0.160 0.000 0.942 128 D HN 0.398 nan 8.370 nan 0.000 0.467 129 V N 0.233 119.825 119.914 -0.538 0.000 3.305 129 V HA -0.190 3.930 4.120 -0.001 0.000 0.269 129 V C 0.568 176.217 176.094 -0.741 0.000 1.157 129 V CA 1.087 63.011 62.300 -0.626 0.000 1.157 129 V CB -0.537 30.756 31.823 -0.884 0.000 0.772 129 V HN 0.136 nan 8.190 nan 0.000 0.498 130 Y N -0.697 119.195 120.300 -0.681 0.000 2.555 130 Y HA 0.414 4.963 4.550 -0.001 0.000 0.259 130 Y C 1.000 176.591 175.900 -0.514 0.000 1.179 130 Y CA -1.420 56.047 58.100 -1.056 0.000 1.230 130 Y CB -0.709 37.401 38.460 -0.584 0.000 1.146 130 Y HN 0.197 nan 8.280 nan 0.000 0.526 131 N N 1.389 120.007 118.700 -0.137 0.000 2.423 131 N HA -0.021 4.719 4.740 -0.001 0.000 0.275 131 N C 1.344 176.600 175.510 -0.424 0.000 1.283 131 N CA 0.584 53.527 53.050 -0.178 0.000 0.932 131 N CB 1.152 39.603 38.487 -0.060 0.000 1.185 131 N HN 0.490 nan 8.380 nan 0.000 0.483 132 G N 3.344 111.368 108.800 -1.293 0.000 2.848 132 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.208 132 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.208 132 G C 1.466 175.742 174.900 -1.040 0.000 1.152 132 G CA 0.409 44.871 45.100 -1.063 0.000 0.789 132 G HN 0.741 nan 8.290 nan 0.000 0.531 133 K N -0.391 119.203 120.400 -1.342 0.000 2.103 133 K HA -0.161 4.158 4.320 -0.001 0.000 0.207 133 K C 1.769 178.119 176.600 -0.418 0.000 1.048 133 K CA 1.192 57.039 56.287 -0.734 0.000 0.930 133 K CB -0.514 31.643 32.500 -0.572 0.000 0.716 133 K HN 0.321 nan 8.250 nan 0.000 0.444 134 Y N 1.059 121.272 120.300 -0.145 0.000 2.200 134 Y HA -0.109 4.440 4.550 -0.001 0.000 0.290 134 Y C 2.323 178.210 175.900 -0.021 0.000 1.137 134 Y CA 0.623 58.700 58.100 -0.039 0.000 1.163 134 Y CB -0.615 37.801 38.460 -0.073 0.000 0.988 134 Y HN 0.027 nan 8.280 nan 0.000 0.518 135 L N 0.161 121.393 121.223 0.016 0.000 2.056 135 L HA -0.038 4.302 4.340 -0.001 0.000 0.207 135 L C 2.369 179.234 176.870 -0.008 0.000 1.078 135 L CA 1.811 56.619 54.840 -0.054 0.000 0.749 135 L CB -1.242 40.691 42.059 -0.211 0.000 0.901 135 L HN 0.147 nan 8.230 nan 0.000 0.433 136 A N -1.282 121.542 122.820 0.007 0.000 1.883 136 A HA -0.310 4.010 4.320 -0.001 0.000 0.217 136 A C 2.318 179.973 177.584 0.118 0.000 1.186 136 A CA 2.046 54.141 52.037 0.096 0.000 0.624 136 A CB -1.232 17.883 19.000 0.193 0.000 0.822 136 A HN 0.597 nan 8.150 nan 0.000 0.444 137 Y N 1.200 121.503 120.300 0.006 0.000 2.109 137 Y HA -0.175 4.375 4.550 -0.001 0.000 0.285 137 Y C 2.714 178.622 175.900 0.014 0.000 1.131 137 Y CA 2.428 60.533 58.100 0.009 0.000 1.121 137 Y CB -0.850 37.606 38.460 -0.008 0.000 0.987 137 Y HN 0.306 nan 8.280 nan 0.000 0.495 138 T N 0.398 114.928 114.554 -0.040 0.000 2.746 138 T HA -0.140 4.209 4.350 -0.001 0.000 0.267 138 T C 1.314 175.942 174.700 -0.119 0.000 1.039 138 T CA 1.749 63.765 62.100 -0.140 0.000 1.142 138 T CB -0.138 68.737 68.868 0.012 0.000 0.866 138 T HN 0.320 nan 8.240 nan 0.000 0.444 139 E N 0.465 120.640 120.200 -0.042 0.000 2.481 139 E HA 0.240 4.590 4.350 -0.001 0.000 0.198 139 E C 0.987 177.582 176.600 -0.008 0.000 1.027 139 E CA 0.685 57.087 56.400 0.003 0.000 0.900 139 E CB -0.052 29.664 29.700 0.026 0.000 0.993 139 E HN 0.713 nan 8.360 nan 0.000 0.482 140 E N -0.297 119.883 120.200 -0.033 0.000 2.389 140 E HA -0.158 4.191 4.350 -0.001 0.000 0.243 140 E C 0.229 176.848 176.600 0.032 0.000 1.154 140 E CA 0.825 57.221 56.400 -0.007 0.000 0.723 140 E CB -2.891 26.797 29.700 -0.021 0.000 1.261 140 E HN 0.225 nan 8.360 nan 0.000 0.390 141 V N -3.650 116.293 119.914 0.049 0.000 2.919 141 V HA 0.917 5.036 4.120 -0.001 0.000 0.316 141 V C 0.679 176.844 176.094 0.118 0.000 1.077 141 V CA -0.670 61.668 62.300 0.063 0.000 0.977 141 V CB 2.541 34.384 31.823 0.033 0.000 1.039 141 V HN 0.654 nan 8.190 nan 0.000 0.441 142 V N 4.323 124.317 119.914 0.134 0.000 2.432 142 V HA 0.317 4.436 4.120 -0.001 0.000 0.271 142 V C -0.010 176.214 176.094 0.217 0.000 1.046 142 V CA -0.331 62.084 62.300 0.191 0.000 0.945 142 V CB 1.067 32.990 31.823 0.167 0.000 0.992 142 V HN 0.766 nan 8.190 nan 0.000 0.471 143 L N 7.578 128.991 121.223 0.316 0.000 2.287 143 L HA 0.615 4.955 4.340 -0.001 0.000 0.287 143 L C -0.515 176.666 176.870 0.518 0.000 1.022 143 L CA 0.007 55.080 54.840 0.388 0.000 0.814 143 L CB 1.723 43.992 42.059 0.350 0.000 1.217 143 L HN 0.409 nan 8.230 nan 0.000 0.420 144 V N 3.958 124.138 119.914 0.443 0.000 2.513 144 V HA 0.582 4.702 4.120 -0.001 0.000 0.299 144 V C 0.067 176.453 176.094 0.486 0.000 1.035 144 V CA -0.582 61.956 62.300 0.397 0.000 0.889 144 V CB 2.062 34.029 31.823 0.239 0.000 0.988 144 V HN 0.909 nan 8.190 nan 0.000 0.440 145 S N 4.923 120.919 115.700 0.493 0.000 2.519 145 S HA 0.843 5.312 4.470 -0.001 0.000 0.309 145 S C -0.813 173.972 174.600 0.309 0.000 1.100 145 S CA -0.773 57.721 58.200 0.491 0.000 1.059 145 S CB 1.611 65.213 63.200 0.670 0.000 1.008 145 S HN 0.684 nan 8.310 nan 0.000 0.478 146 L N 0.786 122.118 121.223 0.182 0.000 2.492 146 L HA 1.004 5.344 4.340 -0.001 0.000 0.263 146 L C 0.121 177.105 176.870 0.189 0.000 1.062 146 L CA -0.714 54.195 54.840 0.115 0.000 0.817 146 L CB 0.367 42.370 42.059 -0.093 0.000 1.441 146 L HN 0.889 nan 8.230 nan 0.000 0.493 147 S N -1.537 114.338 115.700 0.292 0.000 2.661 147 S HA 0.919 5.388 4.470 -0.001 0.000 0.285 147 S C -1.293 173.545 174.600 0.396 0.000 1.138 147 S CA -0.466 57.932 58.200 0.330 0.000 0.855 147 S CB 1.607 65.058 63.200 0.418 0.000 1.136 147 S HN 1.294 nan 8.310 nan 0.000 0.484 148 Y N -2.014 118.405 120.300 0.198 0.000 2.573 148 Y HA 0.628 5.178 4.550 -0.001 0.000 0.328 148 Y C -0.865 175.181 175.900 0.243 0.000 1.170 148 Y CA -1.354 56.858 58.100 0.186 0.000 1.078 148 Y CB 0.570 39.086 38.460 0.094 0.000 1.341 148 Y HN 0.789 nan 8.280 nan 0.000 0.459 149 R N 2.034 122.681 120.500 0.244 0.000 2.585 149 R HA 0.465 4.805 4.340 -0.001 0.000 0.275 149 R C -0.017 176.474 176.300 0.317 0.000 1.018 149 R CA 0.140 56.348 56.100 0.180 0.000 1.072 149 R CB 0.632 31.011 30.300 0.132 0.000 0.953 149 R HN 0.682 nan 8.270 nan 0.000 0.419 150 V N 0.027 120.136 119.914 0.325 0.000 3.204 150 V HA 0.885 5.004 4.120 -0.001 0.000 0.316 150 V C 0.814 177.249 176.094 0.568 0.000 1.160 150 V CA -0.147 62.462 62.300 0.515 0.000 1.044 150 V CB 1.137 33.144 31.823 0.305 0.000 1.136 150 V HN 0.978 nan 8.190 nan 0.000 0.455 151 G N 0.385 109.550 108.800 0.608 0.000 2.575 151 G HA2 0.004 3.964 3.960 -0.001 0.000 0.267 151 G HA3 0.004 3.964 3.960 -0.001 0.000 0.267 151 G C 1.023 176.144 174.900 0.367 0.000 1.264 151 G CA 1.025 46.445 45.100 0.532 0.000 0.935 151 G HN 2.207 nan 8.290 nan 0.000 0.568 152 A N -1.307 121.418 122.820 -0.159 0.000 1.940 152 A HA 0.195 4.515 4.320 -0.001 0.000 0.219 152 A C 2.244 179.704 177.584 -0.206 0.000 1.176 152 A CA 2.561 54.141 52.037 -0.762 0.000 0.631 152 A CB -0.521 17.830 19.000 -1.081 0.000 0.814 152 A HN 0.959 nan 8.150 nan 0.000 0.446 153 F N 0.017 120.026 119.950 0.099 0.000 2.202 153 F HA -0.043 4.483 4.527 -0.001 0.000 0.301 153 F C 2.444 178.262 175.800 0.030 0.000 1.082 153 F CA 1.230 59.257 58.000 0.044 0.000 1.313 153 F CB -0.581 38.404 39.000 -0.025 0.000 1.024 153 F HN 0.296 nan 8.300 nan 0.000 0.495 154 G N -2.516 106.392 108.800 0.180 0.000 2.833 154 G HA2 0.078 4.037 3.960 -0.001 0.000 0.210 154 G HA3 0.078 4.037 3.960 -0.001 0.000 0.210 154 G C 0.702 175.109 174.900 -0.821 0.000 1.139 154 G CA 0.090 45.041 45.100 -0.248 0.000 0.771 154 G HN 0.341 nan 8.290 nan 0.000 0.535 155 F N -0.523 119.523 119.950 0.160 0.000 2.880 155 F HA 0.418 4.945 4.527 -0.001 0.000 0.328 155 F C 0.262 176.121 175.800 0.099 0.000 1.146 155 F CA -0.975 57.099 58.000 0.123 0.000 1.135 155 F CB 0.441 39.535 39.000 0.156 0.000 1.151 155 F HN -0.097 nan 8.300 nan 0.000 0.523 156 L N 2.323 123.544 121.223 -0.004 0.000 2.559 156 L HA 0.464 4.804 4.340 -0.001 0.000 0.274 156 L C 0.152 176.979 176.870 -0.072 0.000 1.205 156 L CA 0.277 54.997 54.840 -0.200 0.000 0.907 156 L CB 0.309 41.953 42.059 -0.692 0.000 1.153 156 L HN 0.166 nan 8.230 nan 0.000 0.490 157 A N 6.885 129.716 122.820 0.018 0.000 2.332 157 A HA 0.642 4.962 4.320 -0.001 0.000 0.300 157 A C -0.850 176.742 177.584 0.013 0.000 1.153 157 A CA -0.489 51.564 52.037 0.027 0.000 0.764 157 A CB 0.686 19.736 19.000 0.083 0.000 1.174 157 A HN 0.705 nan 8.150 nan 0.000 0.467 158 L N 3.562 124.783 121.223 -0.003 0.000 2.502 158 L HA 0.234 4.574 4.340 -0.001 0.000 0.247 158 L C -0.016 176.885 176.870 0.053 0.000 1.180 158 L CA -0.787 54.056 54.840 0.004 0.000 0.956 158 L CB 0.344 42.371 42.059 -0.054 0.000 1.282 158 L HN 0.894 nan 8.230 nan 0.000 0.470 159 H N 1.666 120.731 119.070 -0.008 0.000 3.140 159 H HA 0.204 4.760 4.556 -0.001 0.000 0.316 159 H C 1.149 176.478 175.328 0.002 0.000 0.986 159 H CA 1.653 57.704 56.048 0.005 0.000 1.397 159 H CB 0.733 30.503 29.762 0.014 0.000 1.377 159 H HN 0.697 nan 8.280 nan 0.000 0.585 160 G N 2.763 111.294 108.800 -0.447 0.000 2.339 160 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.209 160 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.209 160 G C 0.315 175.123 174.900 -0.153 0.000 1.015 160 G CA 0.191 45.100 45.100 -0.319 0.000 0.635 160 G HN 1.104 nan 8.290 nan 0.000 0.499 161 S N 0.086 115.731 115.700 -0.092 0.000 2.585 161 S HA 0.661 5.130 4.470 -0.001 0.000 0.277 161 S C 0.996 175.575 174.600 -0.034 0.000 1.241 161 S CA 1.071 59.241 58.200 -0.051 0.000 1.041 161 S CB 1.793 64.972 63.200 -0.035 0.000 0.987 161 S HN 1.627 nan 8.310 nan 0.000 0.512 162 Q N 0.847 120.637 119.800 -0.018 0.000 2.408 162 Q HA 0.156 4.495 4.340 -0.001 0.000 0.205 162 Q C 1.572 177.583 176.000 0.019 0.000 0.919 162 Q CA 0.544 56.347 55.803 -0.000 0.000 0.932 162 Q CB -0.678 28.061 28.738 0.001 0.000 1.058 162 Q HN 0.843 nan 8.270 nan 0.000 0.517 163 E N 0.244 120.456 120.200 0.019 0.000 2.072 163 E HA 0.130 4.479 4.350 -0.001 0.000 0.190 163 E C 0.533 177.176 176.600 0.071 0.000 0.982 163 E CA 1.239 57.667 56.400 0.046 0.000 0.803 163 E CB 0.345 30.072 29.700 0.044 0.000 0.755 163 E HN 0.614 nan 8.360 nan 0.000 0.453 164 A N 1.672 124.506 122.820 0.024 0.000 3.216 164 A HA 0.293 4.613 4.320 -0.001 0.000 0.321 164 A C -2.002 175.577 177.584 -0.009 0.000 1.042 164 A CA -0.980 51.055 52.037 -0.003 0.000 0.838 164 A CB 0.721 19.618 19.000 -0.172 0.000 1.136 164 A HN -0.096 nan 8.150 nan 0.000 0.483 165 P HA 0.113 nan 4.420 nan 0.000 0.225 165 P C 0.890 178.239 177.300 0.081 0.000 1.156 165 P CA 1.780 64.915 63.100 0.058 0.000 0.787 165 P CB 0.204 31.940 31.700 0.060 0.000 0.802 166 G N 0.509 109.333 108.800 0.040 0.000 2.662 166 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.686 166 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.686 166 G C -0.105 174.793 174.900 -0.002 0.000 1.271 166 G CA -0.278 44.847 45.100 0.043 0.000 0.816 166 G HN 0.119 nan 8.290 nan 0.000 0.608 167 N N -2.412 116.277 118.700 -0.019 0.000 2.778 167 N HA -0.288 4.451 4.740 -0.001 0.000 0.249 167 N C 1.977 177.318 175.510 -0.282 0.000 1.069 167 N CA 2.546 55.515 53.050 -0.135 0.000 0.831 167 N CB -1.610 36.752 38.487 -0.208 0.000 1.142 167 N HN 1.946 nan 8.380 nan 0.000 0.573 168 V N -2.487 117.259 119.914 -0.279 0.000 2.594 168 V HA -0.028 4.091 4.120 -0.001 0.000 0.253 168 V C 2.278 178.230 176.094 -0.236 0.000 1.069 168 V CA 2.383 64.570 62.300 -0.188 0.000 1.082 168 V CB -0.923 30.848 31.823 -0.087 0.000 0.680 168 V HN 0.286 nan 8.190 nan 0.000 0.469 169 G N 0.329 108.782 108.800 -0.579 0.000 2.422 169 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.218 169 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.218 169 G C 1.536 176.416 174.900 -0.034 0.000 1.140 169 G CA 1.083 46.018 45.100 -0.275 0.000 0.775 169 G HN 0.545 nan 8.290 nan 0.000 0.545 170 L N -0.132 121.019 121.223 -0.120 0.000 2.156 170 L HA 0.099 4.439 4.340 -0.001 0.000 0.208 170 L C 2.793 179.688 176.870 0.042 0.000 1.095 170 L CA 0.310 55.072 54.840 -0.131 0.000 0.770 170 L CB -0.255 41.447 42.059 -0.594 0.000 0.914 170 L HN 0.170 nan 8.230 nan 0.000 0.439 171 L N -0.544 120.690 121.223 0.018 0.000 2.141 171 L HA -0.200 4.140 4.340 -0.001 0.000 0.209 171 L C 2.160 179.110 176.870 0.133 0.000 1.094 171 L CA 0.873 55.794 54.840 0.136 0.000 0.763 171 L CB -0.592 41.526 42.059 0.099 0.000 0.908 171 L HN 0.290 nan 8.230 nan 0.000 0.437 172 D N -0.042 120.436 120.400 0.130 0.000 2.097 172 D HA -0.204 4.435 4.640 -0.001 0.000 0.195 172 D C 2.271 178.643 176.300 0.120 0.000 0.989 172 D CA 1.184 55.328 54.000 0.240 0.000 0.827 172 D CB -0.176 40.812 40.800 0.314 0.000 0.966 172 D HN 0.400 nan 8.370 nan 0.000 0.456 173 Q N 0.128 119.956 119.800 0.045 0.000 2.084 173 Q HA -0.131 4.209 4.340 -0.001 0.000 0.202 173 Q C 2.293 178.196 176.000 -0.161 0.000 0.978 173 Q CA 1.019 56.763 55.803 -0.097 0.000 0.844 173 Q CB -0.082 28.622 28.738 -0.056 0.000 0.898 173 Q HN 0.201 nan 8.270 nan 0.000 0.426 174 R N 0.592 121.084 120.500 -0.014 0.000 2.096 174 R HA -0.143 4.197 4.340 -0.001 0.000 0.235 174 R C 2.180 178.455 176.300 -0.043 0.000 1.127 174 R CA 1.405 57.478 56.100 -0.044 0.000 0.968 174 R CB -0.142 30.242 30.300 0.141 0.000 0.861 174 R HN 0.278 nan 8.270 nan 0.000 0.440 175 M N -0.042 119.560 119.600 0.004 0.000 2.132 175 M HA -0.099 4.380 4.480 -0.001 0.000 0.263 175 M C 2.129 178.379 176.300 -0.083 0.000 1.065 175 M CA 1.960 57.295 55.300 0.059 0.000 1.122 175 M CB -0.030 32.707 32.600 0.227 0.000 1.365 175 M HN 0.309 nan 8.290 nan 0.000 0.411 176 A N 0.281 122.784 122.820 -0.529 0.000 1.930 176 A HA -0.116 4.204 4.320 -0.001 0.000 0.217 176 A C 1.985 179.440 177.584 -0.214 0.000 1.175 176 A CA 1.341 52.897 52.037 -0.802 0.000 0.627 176 A CB -0.990 17.210 19.000 -1.333 0.000 0.815 176 A HN 0.575 nan 8.150 nan 0.000 0.443 177 L N -1.025 120.092 121.223 -0.177 0.000 2.131 177 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 177 L C 2.812 179.716 176.870 0.057 0.000 1.092 177 L CA 1.628 56.432 54.840 -0.059 0.000 0.759 177 L CB -0.419 41.559 42.059 -0.135 0.000 0.903 177 L HN 0.504 nan 8.230 nan 0.000 0.435 178 Q N -0.349 119.484 119.800 0.056 0.000 2.079 178 Q HA -0.242 4.098 4.340 -0.001 0.000 0.200 178 Q C 2.016 178.120 176.000 0.172 0.000 0.974 178 Q CA 1.787 57.653 55.803 0.106 0.000 0.840 178 Q CB -0.424 28.367 28.738 0.089 0.000 0.898 178 Q HN 0.459 nan 8.270 nan 0.000 0.430 179 W N -0.615 120.702 121.300 0.027 0.000 2.358 179 W HA -0.165 4.494 4.660 -0.001 0.000 0.303 179 W C 1.844 178.403 176.519 0.066 0.000 1.208 179 W CA 1.712 59.096 57.345 0.066 0.000 1.274 179 W CB -0.224 29.285 29.460 0.081 0.000 1.138 179 W HN 0.013 nan 8.180 nan 0.000 0.515 180 V N -0.189 119.934 119.914 0.348 0.000 2.343 180 V HA -0.377 3.742 4.120 -0.001 0.000 0.247 180 V C 2.484 178.608 176.094 0.049 0.000 1.051 180 V CA 2.354 64.782 62.300 0.213 0.000 1.036 180 V CB -1.248 30.688 31.823 0.188 0.000 0.654 180 V HN 0.327 nan 8.190 nan 0.000 0.451 181 H N -0.200 118.866 119.070 -0.008 0.000 2.387 181 H HA -0.157 4.399 4.556 -0.001 0.000 0.299 181 H C 1.961 177.219 175.328 -0.117 0.000 1.090 181 H CA 1.852 57.873 56.048 -0.046 0.000 1.332 181 H CB 0.188 29.938 29.762 -0.020 0.000 1.386 181 H HN 0.442 nan 8.280 nan 0.000 0.516 182 D N -0.515 119.821 120.400 -0.108 0.000 2.249 182 D HA -0.044 4.596 4.640 -0.001 0.000 0.205 182 D C 1.325 177.427 176.300 -0.329 0.000 0.962 182 D CA 0.597 54.475 54.000 -0.204 0.000 0.860 182 D CB 0.058 40.760 40.800 -0.163 0.000 0.955 182 D HN 0.446 nan 8.370 nan 0.000 0.505 183 N N -0.149 118.281 118.700 -0.450 0.000 2.239 183 N HA 0.026 4.766 4.740 -0.001 0.000 0.208 183 N C 1.531 176.929 175.510 -0.187 0.000 1.200 183 N CA -0.157 52.660 53.050 -0.388 0.000 0.895 183 N CB 1.019 38.977 38.487 -0.882 0.000 1.085 183 N HN 0.010 nan 8.380 nan 0.000 0.500 184 I N 3.254 123.740 120.570 -0.140 0.000 2.502 184 I HA -0.283 3.886 4.170 -0.001 0.000 0.258 184 I C 2.617 178.728 176.117 -0.010 0.000 1.172 184 I CA 1.369 62.691 61.300 0.038 0.000 1.430 184 I CB -0.208 37.798 38.000 0.009 0.000 1.086 184 I HN 0.220 nan 8.210 nan 0.000 0.440 185 Q N -0.727 118.887 119.800 -0.311 0.000 2.170 185 Q HA -0.238 4.101 4.340 -0.001 0.000 0.203 185 Q C 1.902 177.705 176.000 -0.328 0.000 0.976 185 Q CA 1.649 57.222 55.803 -0.383 0.000 0.858 185 Q CB -0.828 27.549 28.738 -0.602 0.000 0.907 185 Q HN 0.419 nan 8.270 nan 0.000 0.433 186 F N -0.069 119.853 119.950 -0.048 0.000 2.451 186 F HA 0.065 4.591 4.527 -0.001 0.000 0.299 186 F C 0.936 176.552 175.800 -0.306 0.000 1.101 186 F CA 0.380 58.260 58.000 -0.201 0.000 1.436 186 F CB -0.145 38.658 39.000 -0.328 0.000 1.074 186 F HN 0.014 nan 8.300 nan 0.000 0.553 187 F N -0.681 119.284 119.950 0.024 0.000 2.653 187 F HA 0.439 4.966 4.527 -0.001 0.000 0.304 187 F C 1.718 177.541 175.800 0.039 0.000 1.092 187 F CA 0.197 58.200 58.000 0.005 0.000 1.279 187 F CB 0.019 39.005 39.000 -0.024 0.000 1.044 187 F HN 0.021 nan 8.300 nan 0.000 0.564 188 G N 0.261 109.149 108.800 0.146 0.000 2.157 188 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.239 188 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.239 188 G C 0.551 175.496 174.900 0.074 0.000 0.982 188 G CA -0.253 44.904 45.100 0.095 0.000 0.650 188 G HN 0.728 nan 8.290 nan 0.000 0.527 189 G N -0.451 108.393 108.800 0.074 0.000 2.400 189 G HA2 0.501 4.461 3.960 -0.001 0.000 0.301 189 G HA3 0.501 4.461 3.960 -0.001 0.000 0.301 189 G C -0.720 174.163 174.900 -0.028 0.000 1.154 189 G CA 0.202 45.326 45.100 0.041 0.000 0.852 189 G HN 0.240 nan 8.290 nan 0.000 0.511 190 D N 2.031 122.414 120.400 -0.029 0.000 2.365 190 D HA 0.214 4.853 4.640 -0.001 0.000 0.237 190 D C -0.967 175.287 176.300 -0.076 0.000 1.190 190 D CA -2.375 51.587 54.000 -0.063 0.000 0.867 190 D CB 1.727 42.501 40.800 -0.044 0.000 1.050 190 D HN 0.089 nan 8.370 nan 0.000 0.491 191 P HA -0.110 nan 4.420 nan 0.000 0.231 191 P C 0.499 177.729 177.300 -0.116 0.000 1.158 191 P CA 0.548 63.526 63.100 -0.204 0.000 0.763 191 P CB 0.410 31.839 31.700 -0.452 0.000 0.805 192 K N -0.692 119.665 120.400 -0.072 0.000 2.374 192 K HA 0.163 4.482 4.320 -0.001 0.000 0.196 192 K C 0.445 177.047 176.600 0.003 0.000 1.023 192 K CA 0.436 56.719 56.287 -0.006 0.000 1.103 192 K CB 0.078 32.561 32.500 -0.028 0.000 0.848 192 K HN 0.063 nan 8.250 nan 0.000 0.528 193 T N 1.073 115.627 114.554 -0.001 0.000 3.630 193 T HA 0.239 4.589 4.350 -0.001 0.000 0.238 193 T C -0.428 174.287 174.700 0.024 0.000 1.195 193 T CA -0.293 61.804 62.100 -0.005 0.000 1.433 193 T CB 0.649 69.499 68.868 -0.030 0.000 0.940 193 T HN -0.299 nan 8.240 nan 0.000 0.641 194 V N 2.023 121.984 119.914 0.079 0.000 2.394 194 V HA 0.463 4.582 4.120 -0.001 0.000 0.282 194 V C 0.388 176.584 176.094 0.169 0.000 1.031 194 V CA -0.388 61.988 62.300 0.128 0.000 0.881 194 V CB 1.591 33.525 31.823 0.185 0.000 0.982 194 V HN 0.475 nan 8.190 nan 0.000 0.451 195 T N 6.533 121.167 114.554 0.133 0.000 2.770 195 T HA 0.560 4.910 4.350 -0.001 0.000 0.283 195 T C -0.101 174.709 174.700 0.183 0.000 0.988 195 T CA -0.178 62.013 62.100 0.152 0.000 0.957 195 T CB 0.695 69.603 68.868 0.066 0.000 0.930 195 T HN 0.602 nan 8.240 nan 0.000 0.443 196 I N 1.889 122.533 120.570 0.123 0.000 2.396 196 I HA 0.832 5.002 4.170 -0.001 0.000 0.292 196 I C -0.762 175.517 176.117 0.270 0.000 0.999 196 I CA -0.882 60.471 61.300 0.089 0.000 1.310 196 I CB 0.713 38.534 38.000 -0.297 0.000 1.404 196 I HN 0.478 nan 8.210 nan 0.000 0.496 197 F N 3.175 123.157 119.950 0.053 0.000 2.601 197 F HA 0.995 5.522 4.527 -0.001 0.000 0.309 197 F C -0.457 175.359 175.800 0.028 0.000 1.089 197 F CA -1.265 56.814 58.000 0.131 0.000 0.940 197 F CB 1.372 40.562 39.000 0.317 0.000 1.273 197 F HN 0.824 nan 8.300 nan 0.000 0.450 198 G N 1.306 110.038 108.800 -0.113 0.000 2.646 198 G HA2 0.490 4.449 3.960 -0.001 0.000 0.291 198 G HA3 0.490 4.449 3.960 -0.001 0.000 0.291 198 G C -2.522 172.233 174.900 -0.242 0.000 1.445 198 G CA -0.800 43.883 45.100 -0.694 0.000 0.814 198 G HN 0.859 nan 8.290 nan 0.000 0.495 199 E N 0.361 120.378 120.200 -0.305 0.000 2.227 199 E HA 0.633 4.983 4.350 -0.001 0.000 0.268 199 E C 0.751 177.326 176.600 -0.043 0.000 0.907 199 E CA 0.300 56.729 56.400 0.047 0.000 0.786 199 E CB 2.102 31.992 29.700 0.316 0.000 1.191 199 E HN 0.821 nan 8.360 nan 0.000 0.411 200 S N 2.745 118.477 115.700 0.052 0.000 4.114 200 S HA -0.399 4.071 4.470 -0.001 0.000 0.618 200 S C 1.476 176.155 174.600 0.131 0.000 1.937 200 S CA 2.229 60.515 58.200 0.143 0.000 4.228 200 S CB -1.609 61.584 63.200 -0.012 0.000 0.216 200 S HN 0.961 nan 8.310 nan 0.000 0.528 201 A N 1.026 123.792 122.820 -0.089 0.000 2.076 201 A HA 0.155 4.475 4.320 -0.001 0.000 0.220 201 A C 2.409 179.764 177.584 -0.381 0.000 1.160 201 A CA 2.364 54.166 52.037 -0.391 0.000 0.653 201 A CB -1.483 16.859 19.000 -1.096 0.000 0.801 201 A HN 1.532 nan 8.150 nan 0.000 0.455 202 G N -0.727 107.898 108.800 -0.291 0.000 2.403 202 G HA2 0.110 4.070 3.960 -0.001 0.000 0.216 202 G HA3 0.110 4.070 3.960 -0.001 0.000 0.216 202 G C 1.444 176.189 174.900 -0.257 0.000 1.154 202 G CA 1.087 45.971 45.100 -0.360 0.000 0.784 202 G HN 0.639 nan 8.290 nan 0.000 0.538 203 G N 1.018 109.732 108.800 -0.144 0.000 2.394 203 G HA2 0.116 4.076 3.960 -0.001 0.000 0.215 203 G HA3 0.116 4.076 3.960 -0.001 0.000 0.215 203 G C 2.016 176.837 174.900 -0.132 0.000 1.165 203 G CA 1.389 46.434 45.100 -0.091 0.000 0.784 203 G HN 0.569 nan 8.290 nan 0.000 0.535 204 A N 0.836 123.608 122.820 -0.081 0.000 1.902 204 A HA 0.029 4.349 4.320 -0.001 0.000 0.217 204 A C 2.686 180.228 177.584 -0.069 0.000 1.181 204 A CA 2.182 54.149 52.037 -0.117 0.000 0.623 204 A CB -0.673 18.296 19.000 -0.052 0.000 0.818 204 A HN 0.290 nan 8.150 nan 0.000 0.443 205 S N -0.394 115.286 115.700 -0.033 0.000 2.365 205 S HA -0.172 4.298 4.470 -0.001 0.000 0.225 205 S C 1.926 176.454 174.600 -0.121 0.000 1.039 205 S CA 1.557 59.712 58.200 -0.074 0.000 1.033 205 S CB -0.578 62.533 63.200 -0.148 0.000 0.887 205 S HN 0.352 nan 8.310 nan 0.000 0.447 206 V N 1.502 121.349 119.914 -0.112 0.000 2.282 206 V HA -0.217 3.903 4.120 -0.001 0.000 0.249 206 V C 2.583 178.629 176.094 -0.081 0.000 1.057 206 V CA 2.072 64.310 62.300 -0.103 0.000 1.032 206 V CB -1.464 30.285 31.823 -0.123 0.000 0.645 206 V HN 0.616 nan 8.190 nan 0.000 0.447 207 G N -1.141 107.559 108.800 -0.167 0.000 2.432 207 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.219 207 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.219 207 G C 1.587 176.493 174.900 0.010 0.000 1.135 207 G CA 0.935 45.912 45.100 -0.205 0.000 0.767 207 G HN 0.462 nan 8.290 nan 0.000 0.550 208 M N -0.196 119.422 119.600 0.030 0.000 2.229 208 M HA 0.023 4.502 4.480 -0.001 0.000 0.264 208 M C 2.219 178.623 176.300 0.173 0.000 1.063 208 M CA 0.836 56.275 55.300 0.231 0.000 1.114 208 M CB -0.214 32.537 32.600 0.253 0.000 1.387 208 M HN 0.174 nan 8.290 nan 0.000 0.420 209 H N -0.227 118.963 119.070 0.200 0.000 2.470 209 H HA 0.088 4.644 4.556 -0.001 0.000 0.289 209 H C 2.080 177.618 175.328 0.350 0.000 1.033 209 H CA 1.137 57.300 56.048 0.192 0.000 1.331 209 H CB -0.094 29.672 29.762 0.007 0.000 1.414 209 H HN 0.404 nan 8.280 nan 0.000 0.545 210 I N 0.305 121.150 120.570 0.459 0.000 2.315 210 I HA -0.224 3.946 4.170 -0.001 0.000 0.248 210 I C 2.185 178.537 176.117 0.392 0.000 1.117 210 I CA 0.786 62.391 61.300 0.508 0.000 1.404 210 I CB -0.027 38.215 38.000 0.404 0.000 1.071 210 I HN 0.108 nan 8.210 nan 0.000 0.419 211 L N -0.528 120.894 121.223 0.332 0.000 2.049 211 L HA -0.061 4.278 4.340 -0.001 0.000 0.203 211 L C 1.550 178.526 176.870 0.177 0.000 1.074 211 L CA 0.416 55.449 54.840 0.321 0.000 0.749 211 L CB -0.299 41.983 42.059 0.371 0.000 0.907 211 L HN 0.063 nan 8.230 nan 0.000 0.439 212 S N 0.164 115.878 115.700 0.024 0.000 2.509 212 S HA 0.055 4.525 4.470 -0.001 0.000 0.287 212 S C -1.470 173.006 174.600 -0.207 0.000 1.248 212 S CA -1.283 56.732 58.200 -0.309 0.000 1.089 212 S CB 0.736 63.314 63.200 -1.038 0.000 0.900 212 S HN -0.060 nan 8.310 nan 0.000 0.496 213 P HA -0.091 nan 4.420 nan 0.000 0.216 213 P C 1.427 178.642 177.300 -0.141 0.000 1.154 213 P CA 1.284 64.313 63.100 -0.119 0.000 0.865 213 P CB -0.106 31.530 31.700 -0.106 0.000 0.789 214 G N -1.654 107.016 108.800 -0.218 0.000 2.625 214 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.214 214 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.214 214 G C 1.356 176.182 174.900 -0.123 0.000 1.132 214 G CA 0.563 45.558 45.100 -0.175 0.000 0.782 214 G HN 0.240 nan 8.290 nan 0.000 0.538 215 S N -0.504 115.141 115.700 -0.091 0.000 2.506 215 S HA 0.112 4.581 4.470 -0.001 0.000 0.219 215 S C 2.196 176.873 174.600 0.129 0.000 1.031 215 S CA -0.418 57.825 58.200 0.071 0.000 0.911 215 S CB 0.221 63.604 63.200 0.306 0.000 0.812 215 S HN 0.360 nan 8.310 nan 0.000 0.497 216 R N 1.942 122.458 120.500 0.028 0.000 2.117 216 R HA -0.121 4.219 4.340 -0.001 0.000 0.243 216 R C 0.830 176.926 176.300 -0.340 0.000 1.143 216 R CA 1.683 57.696 56.100 -0.145 0.000 0.968 216 R CB -0.470 29.767 30.300 -0.105 0.000 0.863 216 R HN 0.299 nan 8.270 nan 0.000 0.444 217 D N 0.454 120.718 120.400 -0.226 0.000 2.363 217 D HA -0.027 4.613 4.640 -0.001 0.000 0.220 217 D C 1.453 177.537 176.300 -0.360 0.000 0.994 217 D CA 0.689 54.529 54.000 -0.268 0.000 0.890 217 D CB 0.062 40.737 40.800 -0.207 0.000 0.906 217 D HN 0.254 nan 8.370 nan 0.000 0.530 218 L N -0.233 120.838 121.223 -0.253 0.000 2.599 218 L HA 0.142 4.482 4.340 -0.001 0.000 0.230 218 L C 0.053 176.988 176.870 0.108 0.000 1.141 218 L CA 0.030 54.740 54.840 -0.216 0.000 0.877 218 L CB -0.429 41.602 42.059 -0.047 0.000 1.009 218 L HN -0.045 nan 8.230 nan 0.000 0.447 219 F N -3.901 116.016 119.950 -0.055 0.000 2.741 219 F HA 0.567 5.093 4.527 -0.001 0.000 0.313 219 F C 0.411 176.231 175.800 0.033 0.000 1.153 219 F CA -1.390 56.626 58.000 0.025 0.000 0.931 219 F CB 1.190 40.205 39.000 0.024 0.000 1.335 219 F HN -0.389 nan 8.300 nan 0.000 0.460 220 R N 0.564 121.147 120.500 0.139 0.000 2.121 220 R HA 0.496 4.836 4.340 -0.001 0.000 0.206 220 R C -0.047 176.305 176.300 0.086 0.000 1.094 220 R CA 0.834 56.943 56.100 0.014 0.000 1.055 220 R CB 0.356 30.669 30.300 0.022 0.000 0.964 220 R HN 0.766 nan 8.270 nan 0.000 0.473 221 R N -1.245 119.408 120.500 0.253 0.000 2.869 221 R HA 0.761 5.100 4.340 -0.001 0.000 0.263 221 R C -1.545 175.003 176.300 0.414 0.000 1.066 221 R CA -0.728 55.525 56.100 0.256 0.000 0.960 221 R CB 2.233 32.509 30.300 -0.041 0.000 1.221 221 R HN 0.188 nan 8.270 nan 0.000 0.474 222 A N 1.247 124.306 122.820 0.398 0.000 2.520 222 A HA 0.692 5.011 4.320 -0.001 0.000 0.298 222 A C -1.234 176.466 177.584 0.195 0.000 1.051 222 A CA -0.597 51.601 52.037 0.268 0.000 0.690 222 A CB 1.280 20.408 19.000 0.213 0.000 1.281 222 A HN 0.560 nan 8.150 nan 0.000 0.402 223 I N 1.739 122.380 120.570 0.119 0.000 2.466 223 I HA 0.423 4.593 4.170 -0.001 0.000 0.289 223 I C -1.479 174.682 176.117 0.074 0.000 1.026 223 I CA -0.652 60.646 61.300 -0.003 0.000 1.078 223 I CB 1.982 39.962 38.000 -0.033 0.000 1.249 223 I HN 0.444 nan 8.210 nan 0.000 0.429 224 L N 6.478 127.712 121.223 0.019 0.000 2.349 224 L HA 0.441 4.781 4.340 -0.001 0.000 0.278 224 L C -0.555 176.390 176.870 0.127 0.000 0.996 224 L CA -0.272 54.584 54.840 0.027 0.000 0.825 224 L CB 1.651 43.649 42.059 -0.101 0.000 1.243 224 L HN 0.483 nan 8.230 nan 0.000 0.412 225 Q N 1.978 121.913 119.800 0.225 0.000 2.394 225 Q HA 0.474 4.813 4.340 -0.001 0.000 0.259 225 Q C -0.065 176.084 176.000 0.248 0.000 1.021 225 Q CA -0.517 55.496 55.803 0.349 0.000 0.805 225 Q CB 1.400 30.451 28.738 0.522 0.000 1.226 225 Q HN 0.661 nan 8.270 nan 0.000 0.476 226 S N 0.938 116.773 115.700 0.225 0.000 3.614 226 S HA -0.167 4.303 4.470 -0.001 0.000 0.360 226 S C 0.037 174.819 174.600 0.304 0.000 1.023 226 S CA 0.551 58.917 58.200 0.276 0.000 1.114 226 S CB -1.169 62.259 63.200 0.381 0.000 0.907 226 S HN 0.948 nan 8.310 nan 0.000 0.470 227 G N -0.680 108.221 108.800 0.169 0.000 2.702 227 G HA2 0.614 4.574 3.960 -0.001 0.000 0.296 227 G HA3 0.614 4.574 3.960 -0.001 0.000 0.296 227 G C -1.278 173.577 174.900 -0.074 0.000 1.463 227 G CA 0.197 45.396 45.100 0.166 0.000 0.890 227 G HN 0.530 nan 8.290 nan 0.000 0.534 228 S N 0.811 116.390 115.700 -0.203 0.000 2.541 228 S HA 0.760 5.229 4.470 -0.001 0.000 0.271 228 S C -1.873 172.450 174.600 -0.462 0.000 1.133 228 S CA -1.187 56.759 58.200 -0.424 0.000 0.876 228 S CB 2.469 65.475 63.200 -0.322 0.000 1.105 228 S HN 0.339 nan 8.310 nan 0.000 0.470 229 P HA -0.065 nan 4.420 nan 0.000 0.220 229 P C 0.543 177.623 177.300 -0.367 0.000 1.148 229 P CA 0.996 63.879 63.100 -0.362 0.000 0.803 229 P CB -0.239 31.302 31.700 -0.264 0.000 0.782 230 N N -0.808 117.701 118.700 -0.318 0.000 2.370 230 N HA -0.014 4.726 4.740 -0.001 0.000 0.198 230 N C 0.008 175.276 175.510 -0.403 0.000 1.156 230 N CA -0.211 52.678 53.050 -0.270 0.000 0.839 230 N CB -1.350 37.094 38.487 -0.072 0.000 0.989 230 N HN 0.018 nan 8.380 nan 0.000 0.468 231 C N 2.863 121.794 119.300 -0.615 0.000 2.657 231 C HA 0.098 4.557 4.460 -0.001 0.000 0.420 231 C C -0.171 174.281 174.990 -0.897 0.000 1.323 231 C CA -0.926 57.560 59.018 -0.886 0.000 1.894 231 C CB 1.138 27.984 27.740 -1.490 0.000 2.681 231 C HN 0.356 nan 8.230 nan 0.000 0.613 232 P HA -0.121 nan 4.420 nan 0.000 0.221 232 P C 1.074 178.139 177.300 -0.392 0.000 1.145 232 P CA 1.857 64.644 63.100 -0.522 0.000 0.795 232 P CB -0.062 31.337 31.700 -0.501 0.000 0.775 233 W N -1.859 119.284 121.300 -0.261 0.000 3.177 233 W HA 0.594 5.254 4.660 -0.001 0.000 0.309 233 W C 1.125 177.657 176.519 0.022 0.000 1.224 233 W CA 0.290 57.540 57.345 -0.157 0.000 1.718 233 W CB -0.905 28.439 29.460 -0.193 0.000 1.078 233 W HN -0.128 nan 8.180 nan 0.000 0.618 234 A N 1.516 124.038 122.820 -0.497 0.000 2.208 234 A HA 0.193 4.513 4.320 -0.001 0.000 0.209 234 A C 0.976 178.409 177.584 -0.253 0.000 1.161 234 A CA 1.171 53.055 52.037 -0.256 0.000 0.782 234 A CB -0.539 18.048 19.000 -0.688 0.000 0.816 234 A HN 0.233 nan 8.150 nan 0.000 0.477 235 S N -1.926 113.609 115.700 -0.275 0.000 2.587 235 S HA 0.613 5.083 4.470 -0.001 0.000 0.269 235 S C -0.830 173.639 174.600 -0.219 0.000 1.154 235 S CA -0.096 57.929 58.200 -0.292 0.000 0.824 235 S CB 1.181 64.144 63.200 -0.395 0.000 1.118 235 S HN 1.353 nan 8.310 nan 0.000 0.462 236 V N -0.919 118.884 119.914 -0.186 0.000 3.160 236 V HA 0.955 5.074 4.120 -0.001 0.000 0.310 236 V C 0.209 176.225 176.094 -0.130 0.000 1.181 236 V CA -0.406 61.807 62.300 -0.144 0.000 1.047 236 V CB 1.130 32.884 31.823 -0.116 0.000 1.068 236 V HN 1.574 nan 8.190 nan 0.000 0.441 237 S N 0.360 115.995 115.700 -0.108 0.000 2.624 237 S HA 0.375 4.845 4.470 -0.001 0.000 0.263 237 S C 0.979 175.529 174.600 -0.083 0.000 1.287 237 S CA 0.185 58.328 58.200 -0.096 0.000 0.990 237 S CB 1.339 64.493 63.200 -0.077 0.000 0.950 237 S HN 1.059 nan 8.310 nan 0.000 0.561 238 V N 1.577 121.432 119.914 -0.097 0.000 2.407 238 V HA -0.161 3.958 4.120 -0.001 0.000 0.248 238 V C 2.895 178.971 176.094 -0.030 0.000 1.055 238 V CA 2.376 64.621 62.300 -0.092 0.000 1.049 238 V CB -1.677 30.034 31.823 -0.186 0.000 0.662 238 V HN 1.003 nan 8.190 nan 0.000 0.455 239 A N -0.121 122.680 122.820 -0.031 0.000 1.873 239 A HA -0.241 4.078 4.320 -0.001 0.000 0.215 239 A C 2.195 179.760 177.584 -0.031 0.000 1.186 239 A CA 1.995 54.021 52.037 -0.019 0.000 0.616 239 A CB -0.520 18.468 19.000 -0.020 0.000 0.823 239 A HN 0.547 nan 8.150 nan 0.000 0.442 240 E N 0.178 120.349 120.200 -0.049 0.000 2.110 240 E HA -0.040 4.310 4.350 -0.001 0.000 0.193 240 E C 1.952 178.515 176.600 -0.062 0.000 0.988 240 E CA 1.565 57.923 56.400 -0.069 0.000 0.804 240 E CB -0.845 28.803 29.700 -0.087 0.000 0.745 240 E HN 0.393 nan 8.360 nan 0.000 0.458 241 G N 0.669 109.445 108.800 -0.041 0.000 2.418 241 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.217 241 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.217 241 G C 1.765 176.676 174.900 0.019 0.000 1.158 241 G CA 0.885 45.982 45.100 -0.004 0.000 0.771 241 G HN 0.336 nan 8.290 nan 0.000 0.545 242 R N 0.272 120.777 120.500 0.008 0.000 2.073 242 R HA 0.009 4.349 4.340 -0.001 0.000 0.234 242 R C 2.566 178.863 176.300 -0.004 0.000 1.134 242 R CA 1.389 57.494 56.100 0.008 0.000 0.952 242 R CB -0.382 29.927 30.300 0.015 0.000 0.850 242 R HN 0.311 nan 8.270 nan 0.000 0.433 243 R N 0.431 120.919 120.500 -0.020 0.000 2.091 243 R HA -0.142 4.198 4.340 -0.001 0.000 0.238 243 R C 2.222 178.504 176.300 -0.031 0.000 1.136 243 R CA 1.871 57.951 56.100 -0.033 0.000 0.959 243 R CB -0.092 30.174 30.300 -0.056 0.000 0.856 243 R HN 0.282 nan 8.270 nan 0.000 0.437 244 R N -0.374 120.105 120.500 -0.034 0.000 2.115 244 R HA -0.042 4.298 4.340 -0.001 0.000 0.230 244 R C 2.306 178.671 176.300 0.108 0.000 1.111 244 R CA 1.151 57.234 56.100 -0.028 0.000 0.976 244 R CB -0.227 29.983 30.300 -0.150 0.000 0.870 244 R HN 0.247 nan 8.270 nan 0.000 0.445 245 A N 0.763 123.651 122.820 0.112 0.000 1.898 245 A HA -0.092 4.228 4.320 -0.001 0.000 0.216 245 A C 2.342 179.925 177.584 -0.002 0.000 1.181 245 A CA 1.207 53.279 52.037 0.058 0.000 0.620 245 A CB -0.484 18.494 19.000 -0.037 0.000 0.819 245 A HN 0.092 nan 8.150 nan 0.000 0.442 246 V N 0.114 120.024 119.914 -0.007 0.000 2.295 246 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 246 V C 2.610 178.703 176.094 -0.002 0.000 1.049 246 V CA 2.420 64.711 62.300 -0.014 0.000 1.024 246 V CB -0.736 31.078 31.823 -0.015 0.000 0.648 246 V HN 0.684 nan 8.190 nan 0.000 0.447 247 E N 0.203 120.406 120.200 0.005 0.000 2.110 247 E HA -0.224 4.126 4.350 -0.001 0.000 0.193 247 E C 1.897 178.516 176.600 0.031 0.000 0.988 247 E CA 1.187 57.592 56.400 0.008 0.000 0.804 247 E CB -0.427 29.267 29.700 -0.010 0.000 0.745 247 E HN 0.440 nan 8.360 nan 0.000 0.458 248 L N -0.273 120.987 121.223 0.061 0.000 2.017 248 L HA 0.015 4.355 4.340 -0.001 0.000 0.208 248 L C 2.192 179.075 176.870 0.023 0.000 1.073 248 L CA 2.371 57.255 54.840 0.073 0.000 0.745 248 L CB -1.068 41.047 42.059 0.094 0.000 0.894 248 L HN 0.241 nan 8.230 nan 0.000 0.432 249 G N -0.959 107.839 108.800 -0.003 0.000 2.418 249 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.217 249 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.217 249 G C 1.797 176.701 174.900 0.006 0.000 1.158 249 G CA 0.786 45.881 45.100 -0.009 0.000 0.771 249 G HN 0.424 nan 8.290 nan 0.000 0.545 250 R N 0.431 120.936 120.500 0.008 0.000 2.127 250 R HA -0.046 4.293 4.340 -0.001 0.000 0.238 250 R C 2.169 178.481 176.300 0.020 0.000 1.134 250 R CA 1.353 57.460 56.100 0.011 0.000 0.975 250 R CB -0.341 29.964 30.300 0.008 0.000 0.865 250 R HN 0.320 nan 8.270 nan 0.000 0.447 251 N N 0.237 118.953 118.700 0.027 0.000 2.396 251 N HA -0.088 4.651 4.740 -0.001 0.000 0.180 251 N C 0.840 176.373 175.510 0.038 0.000 1.028 251 N CA 0.841 53.914 53.050 0.037 0.000 0.893 251 N CB 0.189 38.706 38.487 0.051 0.000 0.967 251 N HN 0.280 nan 8.380 nan 0.000 0.440 252 L N 0.528 121.770 121.223 0.032 0.000 2.872 252 L HA 0.208 4.548 4.340 -0.001 0.000 0.245 252 L C -0.487 176.399 176.870 0.027 0.000 1.211 252 L CA -0.140 54.720 54.840 0.033 0.000 1.013 252 L CB -0.335 41.743 42.059 0.033 0.000 1.326 252 L HN 0.013 nan 8.230 nan 0.000 0.525 253 N N -0.819 117.895 118.700 0.023 0.000 2.725 253 N HA -0.184 4.556 4.740 -0.001 0.000 0.251 253 N C -0.208 175.312 175.510 0.016 0.000 1.031 253 N CA 0.302 53.363 53.050 0.019 0.000 0.720 253 N CB -1.302 37.198 38.487 0.021 0.000 0.930 253 N HN 0.317 nan 8.380 nan 0.000 0.543 254 c N 0.500 119.108 118.600 0.013 0.000 2.443 254 c HA 0.306 4.876 4.570 -0.001 0.000 0.369 254 c C 1.151 175.245 174.090 0.006 0.000 1.241 254 c CA -1.033 55.301 56.329 0.010 0.000 2.413 254 c CB 0.862 43.374 42.510 0.004 0.000 2.451 254 c HN 0.485 nan 8.230 nan 0.000 0.595 255 N N 1.647 120.351 118.700 0.006 0.000 2.475 255 N HA 0.139 4.879 4.740 -0.001 0.000 0.267 255 N C -0.129 175.381 175.510 -0.001 0.000 1.169 255 N CA 0.198 53.250 53.050 0.004 0.000 0.947 255 N CB 0.408 38.898 38.487 0.005 0.000 1.061 255 N HN 0.617 nan 8.380 nan 0.000 0.466 256 L N 2.316 123.538 121.223 -0.002 0.000 2.872 256 L HA 0.173 4.513 4.340 -0.001 0.000 0.245 256 L C 2.090 178.956 176.870 -0.006 0.000 1.211 256 L CA -0.090 54.746 54.840 -0.007 0.000 1.013 256 L CB -0.943 41.112 42.059 -0.006 0.000 1.326 256 L HN 0.607 nan 8.230 nan 0.000 0.525 257 N N 0.813 119.511 118.700 -0.004 0.000 2.188 257 N HA -0.094 4.646 4.740 -0.001 0.000 0.184 257 N C 0.992 176.499 175.510 -0.005 0.000 1.018 257 N CA 1.407 54.455 53.050 -0.003 0.000 0.858 257 N CB 0.084 38.571 38.487 -0.001 0.000 0.989 257 N HN 0.518 nan 8.380 nan 0.000 0.426 258 S N -2.818 112.877 115.700 -0.007 0.000 2.638 258 S HA 0.467 4.937 4.470 -0.001 0.000 0.274 258 S C -0.499 174.092 174.600 -0.015 0.000 1.157 258 S CA -0.279 57.916 58.200 -0.010 0.000 0.826 258 S CB 1.357 64.553 63.200 -0.007 0.000 1.139 258 S HN 0.052 nan 8.310 nan 0.000 0.474 259 D N 1.200 121.588 120.400 -0.019 0.000 2.117 259 D HA 0.021 4.660 4.640 -0.001 0.000 0.197 259 D C 2.360 178.646 176.300 -0.024 0.000 0.987 259 D CA 2.206 56.190 54.000 -0.028 0.000 0.829 259 D CB -0.645 40.137 40.800 -0.030 0.000 0.961 259 D HN 0.845 nan 8.370 nan 0.000 0.460 260 E N 1.480 121.673 120.200 -0.013 0.000 2.110 260 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 260 E C 1.895 178.495 176.600 0.001 0.000 0.988 260 E CA 1.217 57.616 56.400 -0.003 0.000 0.804 260 E CB -0.603 29.097 29.700 0.001 0.000 0.745 260 E HN 0.302 nan 8.360 nan 0.000 0.458 261 E N -0.340 119.859 120.200 -0.002 0.000 2.047 261 E HA -0.110 4.240 4.350 -0.001 0.000 0.191 261 E C 2.290 178.890 176.600 -0.001 0.000 0.987 261 E CA 1.219 57.619 56.400 0.001 0.000 0.799 261 E CB -0.356 29.344 29.700 -0.001 0.000 0.752 261 E HN 0.443 nan 8.360 nan 0.000 0.449 262 L N 1.466 122.680 121.223 -0.014 0.000 1.989 262 L HA -0.148 4.192 4.340 -0.001 0.000 0.211 262 L C 2.252 179.103 176.870 -0.031 0.000 1.071 262 L CA 1.504 56.326 54.840 -0.029 0.000 0.749 262 L CB -0.673 41.357 42.059 -0.050 0.000 0.890 262 L HN 0.055 nan 8.230 nan 0.000 0.431 263 I N -0.735 119.815 120.570 -0.034 0.000 2.208 263 I HA -0.347 3.822 4.170 -0.001 0.000 0.245 263 I C 2.982 179.148 176.117 0.082 0.000 1.097 263 I CA 1.579 62.877 61.300 -0.003 0.000 1.363 263 I CB -1.118 36.886 38.000 0.006 0.000 1.051 263 I HN 0.577 nan 8.210 nan 0.000 0.413 264 H N -0.281 118.821 119.070 0.053 0.000 2.319 264 H HA -0.279 4.276 4.556 -0.001 0.000 0.299 264 H C 2.528 177.892 175.328 0.060 0.000 1.092 264 H CA 2.202 58.284 56.048 0.056 0.000 1.302 264 H CB -1.308 28.474 29.762 0.034 0.000 1.373 264 H HN 0.603 nan 8.280 nan 0.000 0.497 265 c N 0.604 119.231 118.600 0.045 0.000 2.413 265 c HA -0.085 4.484 4.570 -0.001 0.000 0.276 265 c C 2.853 176.982 174.090 0.064 0.000 1.236 265 c CA 1.322 57.676 56.329 0.042 0.000 1.735 265 c CB -1.507 41.018 42.510 0.025 0.000 2.031 265 c HN 0.750 nan 8.230 nan 0.000 0.474 266 L N 0.188 121.464 121.223 0.088 0.000 2.127 266 L HA -0.122 4.218 4.340 -0.001 0.000 0.211 266 L C 2.934 179.924 176.870 0.199 0.000 1.089 266 L CA 1.581 56.514 54.840 0.156 0.000 0.757 266 L CB -0.662 41.499 42.059 0.170 0.000 0.899 266 L HN 0.373 nan 8.230 nan 0.000 0.434 267 R N -0.711 119.897 120.500 0.181 0.000 2.236 267 R HA -0.079 4.261 4.340 -0.001 0.000 0.208 267 R C 1.929 178.253 176.300 0.040 0.000 1.036 267 R CA 0.637 56.781 56.100 0.073 0.000 1.001 267 R CB 0.047 30.387 30.300 0.066 0.000 0.896 267 R HN 0.192 nan 8.270 nan 0.000 0.464 268 E N 0.364 120.595 120.200 0.051 0.000 2.478 268 E HA 0.045 4.394 4.350 -0.001 0.000 0.194 268 E C -0.019 176.606 176.600 0.042 0.000 1.045 268 E CA 0.396 56.819 56.400 0.038 0.000 0.868 268 E CB 0.211 29.932 29.700 0.035 0.000 0.885 268 E HN 0.164 nan 8.360 nan 0.000 0.505 269 K N 1.170 121.602 120.400 0.053 0.000 2.144 269 K HA 0.358 4.678 4.320 -0.001 0.000 0.270 269 K C 0.139 176.783 176.600 0.074 0.000 1.005 269 K CA -0.329 55.994 56.287 0.060 0.000 0.932 269 K CB 1.096 33.635 32.500 0.065 0.000 1.021 269 K HN 0.091 nan 8.250 nan 0.000 0.462 270 K N 2.262 122.708 120.400 0.076 0.000 2.258 270 K HA 0.042 4.362 4.320 -0.001 0.000 0.264 270 K C -1.580 175.108 176.600 0.147 0.000 1.007 270 K CA -1.472 54.866 56.287 0.085 0.000 0.941 270 K CB 0.161 32.699 32.500 0.064 0.000 0.966 270 K HN 0.168 nan 8.250 nan 0.000 0.480 271 P HA -0.257 nan 4.420 nan 0.000 0.215 271 P C 1.112 178.602 177.300 0.315 0.000 1.163 271 P CA 1.334 64.627 63.100 0.321 0.000 0.894 271 P CB 0.236 31.955 31.700 0.031 0.000 0.791 272 Q N 0.072 119.976 119.800 0.173 0.000 2.291 272 Q HA -0.179 4.160 4.340 -0.001 0.000 0.206 272 Q C 1.822 177.919 176.000 0.161 0.000 0.976 272 Q CA 1.603 57.502 55.803 0.160 0.000 0.875 272 Q CB -0.804 27.995 28.738 0.103 0.000 0.927 272 Q HN 0.354 nan 8.270 nan 0.000 0.450 273 E N -0.914 119.370 120.200 0.140 0.000 2.152 273 E HA -0.144 4.206 4.350 -0.001 0.000 0.192 273 E C 1.541 178.211 176.600 0.118 0.000 0.983 273 E CA 0.780 57.249 56.400 0.115 0.000 0.818 273 E CB 0.035 29.789 29.700 0.089 0.000 0.758 273 E HN 0.238 nan 8.360 nan 0.000 0.467 274 L N 0.574 121.874 121.223 0.128 0.000 2.044 274 L HA -0.118 4.221 4.340 -0.001 0.000 0.205 274 L C 2.166 179.113 176.870 0.128 0.000 1.075 274 L CA 1.379 56.256 54.840 0.062 0.000 0.747 274 L CB -0.339 41.663 42.059 -0.094 0.000 0.903 274 L HN 0.138 nan 8.230 nan 0.000 0.435 275 I N -0.587 120.122 120.570 0.231 0.000 2.286 275 I HA -0.286 3.883 4.170 -0.001 0.000 0.248 275 I C 1.926 178.217 176.117 0.289 0.000 1.115 275 I CA 1.021 62.499 61.300 0.295 0.000 1.392 275 I CB -0.435 37.774 38.000 0.349 0.000 1.065 275 I HN 0.246 nan 8.210 nan 0.000 0.418 276 D N 0.452 120.992 120.400 0.233 0.000 2.182 276 D HA -0.133 4.507 4.640 -0.001 0.000 0.201 276 D C 1.918 178.342 176.300 0.208 0.000 0.986 276 D CA 1.604 55.734 54.000 0.218 0.000 0.847 276 D CB 0.002 40.895 40.800 0.156 0.000 0.942 276 D HN 0.394 nan 8.370 nan 0.000 0.467 277 V N -2.385 117.632 119.914 0.172 0.000 3.528 277 V HA 0.205 4.325 4.120 -0.001 0.000 0.294 277 V C 1.751 177.932 176.094 0.146 0.000 1.404 277 V CA 0.039 62.428 62.300 0.149 0.000 1.065 277 V CB 0.316 32.203 31.823 0.108 0.000 0.904 277 V HN -0.045 nan 8.190 nan 0.000 0.435 278 E N 0.974 121.258 120.200 0.141 0.000 2.086 278 E HA -0.279 4.070 4.350 -0.001 0.000 0.200 278 E C 1.496 178.020 176.600 -0.127 0.000 1.012 278 E CA 2.638 59.076 56.400 0.063 0.000 0.812 278 E CB -0.237 29.435 29.700 -0.047 0.000 0.743 278 E HN 0.805 nan 8.360 nan 0.000 0.453 279 W N 0.728 122.022 121.300 -0.010 0.000 3.077 279 W HA 0.055 4.715 4.660 -0.001 0.000 0.245 279 W C 1.498 177.983 176.519 -0.058 0.000 1.316 279 W CA -0.123 57.168 57.345 -0.090 0.000 1.537 279 W CB 0.111 29.477 29.460 -0.156 0.000 1.131 279 W HN 0.103 nan 8.180 nan 0.000 0.695 280 N N -0.041 118.744 118.700 0.141 0.000 2.467 280 N HA -0.081 4.659 4.740 -0.001 0.000 0.184 280 N C 1.771 177.294 175.510 0.022 0.000 1.106 280 N CA 1.222 54.325 53.050 0.087 0.000 0.892 280 N CB -0.301 38.236 38.487 0.083 0.000 0.969 280 N HN 0.242 nan 8.380 nan 0.000 0.454 281 V N -1.952 117.944 119.914 -0.030 0.000 3.649 281 V HA 0.248 4.367 4.120 -0.001 0.000 0.275 281 V C 0.788 176.791 176.094 -0.152 0.000 1.281 281 V CA -0.090 62.156 62.300 -0.091 0.000 1.143 281 V CB -0.647 31.108 31.823 -0.112 0.000 0.892 281 V HN -0.022 nan 8.190 nan 0.000 0.441 282 L N 2.253 123.400 121.223 -0.126 0.000 2.514 282 L HA 0.170 4.509 4.340 -0.001 0.000 0.280 282 L C -0.267 176.490 176.870 -0.188 0.000 1.223 282 L CA -0.707 54.049 54.840 -0.139 0.000 0.864 282 L CB 0.493 42.535 42.059 -0.029 0.000 1.118 282 L HN 0.174 nan 8.230 nan 0.000 0.494 283 P HA -0.035 nan 4.420 nan 0.000 0.224 283 P C -0.200 176.686 177.300 -0.691 0.000 1.157 283 P CA 1.122 63.854 63.100 -0.613 0.000 0.799 283 P CB 0.317 31.456 31.700 -0.935 0.000 0.809 284 F N -0.474 119.480 119.950 0.005 0.000 2.611 284 F HA 0.404 4.930 4.527 -0.001 0.000 0.324 284 F C 0.377 176.190 175.800 0.021 0.000 1.061 284 F CA -1.729 56.281 58.000 0.017 0.000 0.954 284 F CB 0.137 39.153 39.000 0.026 0.000 1.301 284 F HN -0.347 nan 8.300 nan 0.000 0.482 285 D N 1.183 121.731 120.400 0.247 0.000 2.371 285 D HA 0.451 5.091 4.640 -0.001 0.000 0.256 285 D C -0.670 175.714 176.300 0.141 0.000 1.193 285 D CA 0.492 54.576 54.000 0.140 0.000 0.881 285 D CB 0.500 41.360 40.800 0.102 0.000 1.143 285 D HN 0.647 nan 8.370 nan 0.000 0.473 286 S N 2.448 118.216 115.700 0.114 0.000 2.615 286 S HA 0.630 5.100 4.470 -0.001 0.000 0.268 286 S C -0.494 174.150 174.600 0.073 0.000 1.146 286 S CA -1.041 57.219 58.200 0.100 0.000 0.818 286 S CB 0.347 63.634 63.200 0.145 0.000 1.111 286 S HN 0.515 nan 8.310 nan 0.000 0.465 287 I N -2.821 117.791 120.570 0.069 0.000 2.892 287 I HA 0.828 4.997 4.170 -0.001 0.000 0.306 287 I C -0.221 175.927 176.117 0.051 0.000 1.078 287 I CA -1.114 60.232 61.300 0.077 0.000 1.032 287 I CB 1.304 39.371 38.000 0.112 0.000 1.229 287 I HN 0.799 nan 8.210 nan 0.000 0.435 288 F N 1.741 121.555 119.950 -0.227 0.000 3.080 288 F HA -0.174 4.353 4.527 -0.001 0.000 0.292 288 F C -0.379 174.864 175.800 -0.928 0.000 0.891 288 F CA 0.557 58.111 58.000 -0.743 0.000 1.086 288 F CB -0.649 37.873 39.000 -0.796 0.000 1.095 288 F HN 0.604 nan 8.300 nan 0.000 0.633 289 R N 0.611 120.733 120.500 -0.631 0.000 2.575 289 R HA 0.593 4.933 4.340 -0.001 0.000 0.293 289 R C -0.947 175.053 176.300 -0.500 0.000 0.983 289 R CA -0.516 55.264 56.100 -0.533 0.000 0.887 289 R CB 1.176 31.411 30.300 -0.109 0.000 1.184 289 R HN -0.018 nan 8.270 nan 0.000 0.445 290 F N -0.564 119.472 119.950 0.143 0.000 2.546 290 F HA 0.390 4.916 4.527 -0.001 0.000 0.320 290 F C 1.601 177.271 175.800 -0.216 0.000 1.076 290 F CA -0.963 57.015 58.000 -0.037 0.000 0.928 290 F CB 1.574 40.672 39.000 0.162 0.000 1.189 290 F HN 0.341 nan 8.300 nan 0.000 0.465 291 S N 0.649 116.139 115.700 -0.349 0.000 2.343 291 S HA -0.048 4.421 4.470 -0.001 0.000 0.219 291 S C 0.138 174.203 174.600 -0.891 0.000 1.033 291 S CA 1.208 58.988 58.200 -0.701 0.000 1.014 291 S CB -0.263 62.327 63.200 -1.017 0.000 0.915 291 S HN 0.346 nan 8.310 nan 0.000 0.435 292 F N 1.968 121.917 119.950 -0.001 0.000 2.308 292 F HA 0.534 5.061 4.527 -0.001 0.000 0.370 292 F C 0.093 175.907 175.800 0.023 0.000 1.100 292 F CA -1.085 56.958 58.000 0.071 0.000 1.108 292 F CB 0.866 39.953 39.000 0.145 0.000 1.293 292 F HN -0.076 nan 8.300 nan 0.000 0.478 293 V N 0.822 120.713 119.914 -0.040 0.000 3.155 293 V HA 0.766 4.885 4.120 -0.001 0.000 0.313 293 V C -2.831 173.002 176.094 -0.435 0.000 1.162 293 V CA -3.362 58.637 62.300 -0.501 0.000 1.048 293 V CB 1.960 33.638 31.823 -0.242 0.000 1.092 293 V HN 0.232 nan 8.190 nan 0.000 0.447 294 P HA 0.149 nan 4.420 nan 0.000 0.266 294 P C -0.839 176.388 177.300 -0.121 0.000 1.186 294 P CA 0.417 63.358 63.100 -0.264 0.000 0.767 294 P CB 0.549 32.018 31.700 -0.385 0.000 0.820 295 V N 4.707 124.638 119.914 0.029 0.000 2.604 295 V HA 0.317 4.436 4.120 -0.001 0.000 0.305 295 V C -0.409 175.725 176.094 0.066 0.000 1.043 295 V CA -0.959 61.341 62.300 -0.000 0.000 0.888 295 V CB 1.304 33.142 31.823 0.025 0.000 0.995 295 V HN 0.241 nan 8.190 nan 0.000 0.429 296 I N 7.171 127.706 120.570 -0.057 0.000 2.357 296 I HA 0.214 4.383 4.170 -0.001 0.000 0.300 296 I C 0.897 177.010 176.117 -0.006 0.000 1.159 296 I CA 0.277 61.565 61.300 -0.021 0.000 1.339 296 I CB 0.054 37.971 38.000 -0.140 0.000 1.458 296 I HN 0.824 nan 8.210 nan 0.000 0.577 297 D N 3.337 123.795 120.400 0.097 0.000 2.389 297 D HA 0.090 4.729 4.640 -0.001 0.000 0.206 297 D C 1.365 177.667 176.300 0.003 0.000 1.055 297 D CA 0.757 54.709 54.000 -0.079 0.000 0.856 297 D CB 0.669 41.493 40.800 0.040 0.000 0.957 297 D HN 0.633 nan 8.370 nan 0.000 0.509 298 G N -0.312 108.552 108.800 0.106 0.000 2.217 298 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.246 298 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.246 298 G C 0.968 175.936 174.900 0.113 0.000 0.990 298 G CA 0.641 45.805 45.100 0.106 0.000 0.627 298 G HN 0.397 nan 8.290 nan 0.000 0.522 299 E N -0.822 119.459 120.200 0.134 0.000 2.184 299 E HA 0.430 4.780 4.350 -0.001 0.000 0.194 299 E C 1.805 178.425 176.600 0.034 0.000 0.978 299 E CA 0.404 56.859 56.400 0.093 0.000 0.998 299 E CB -0.764 29.012 29.700 0.125 0.000 1.240 299 E HN 0.484 nan 8.360 nan 0.000 0.492 300 F N 0.762 120.644 119.950 -0.113 0.000 2.126 300 F HA 0.053 4.580 4.527 -0.001 0.000 0.299 300 F C 0.333 175.841 175.800 -0.488 0.000 1.096 300 F CA 1.110 58.907 58.000 -0.338 0.000 1.255 300 F CB 0.076 38.789 39.000 -0.478 0.000 0.997 300 F HN 0.045 nan 8.300 nan 0.000 0.479 301 F N 0.716 120.801 119.950 0.225 0.000 2.347 301 F HA 0.354 4.881 4.527 -0.001 0.000 0.366 301 F C -1.644 174.190 175.800 0.057 0.000 1.107 301 F CA -2.804 55.271 58.000 0.124 0.000 1.058 301 F CB 0.617 39.695 39.000 0.130 0.000 1.236 301 F HN -0.233 nan 8.300 nan 0.000 0.456 302 P HA -0.101 nan 4.420 nan 0.000 0.215 302 P C 0.456 177.812 177.300 0.095 0.000 1.153 302 P CA 1.635 64.790 63.100 0.092 0.000 0.853 302 P CB 0.187 31.914 31.700 0.046 0.000 0.788 303 T N -6.153 108.466 114.554 0.108 0.000 2.654 303 T HA 0.484 4.834 4.350 -0.001 0.000 0.289 303 T C -0.205 174.534 174.700 0.065 0.000 1.062 303 T CA -0.664 61.477 62.100 0.069 0.000 1.041 303 T CB 0.796 69.691 68.868 0.045 0.000 1.417 303 T HN -0.018 nan 8.240 nan 0.000 0.510 304 S N 0.041 115.755 115.700 0.023 0.000 2.566 304 S HA 0.161 4.630 4.470 -0.001 0.000 0.280 304 S C 1.511 176.111 174.600 -0.001 0.000 1.343 304 S CA -0.682 57.509 58.200 -0.015 0.000 1.036 304 S CB -0.373 62.813 63.200 -0.022 0.000 0.866 304 S HN 0.661 nan 8.310 nan 0.000 0.526 305 L N 0.342 121.531 121.223 -0.058 0.000 2.046 305 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 305 L C 2.941 179.843 176.870 0.054 0.000 1.077 305 L CA 1.873 56.699 54.840 -0.023 0.000 0.747 305 L CB -0.806 41.181 42.059 -0.120 0.000 0.896 305 L HN 0.779 nan 8.230 nan 0.000 0.432 306 E N 0.706 120.931 120.200 0.041 0.000 2.077 306 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 306 E C 2.276 178.933 176.600 0.095 0.000 0.989 306 E CA 1.763 58.218 56.400 0.092 0.000 0.800 306 E CB -0.092 29.647 29.700 0.065 0.000 0.746 306 E HN 0.492 nan 8.360 nan 0.000 0.452 307 S N -0.574 115.164 115.700 0.064 0.000 2.387 307 S HA -0.134 4.335 4.470 -0.001 0.000 0.226 307 S C 2.152 176.792 174.600 0.065 0.000 1.026 307 S CA 1.167 59.401 58.200 0.056 0.000 0.972 307 S CB -0.354 62.867 63.200 0.035 0.000 0.814 307 S HN 0.225 nan 8.310 nan 0.000 0.477 308 M N 1.106 120.760 119.600 0.090 0.000 2.086 308 M HA 0.006 4.485 4.480 -0.001 0.000 0.261 308 M C 2.285 178.707 176.300 0.205 0.000 1.067 308 M CA 1.511 56.886 55.300 0.125 0.000 1.116 308 M CB -0.716 31.990 32.600 0.178 0.000 1.348 308 M HN 0.304 nan 8.290 nan 0.000 0.407 309 L N -0.194 121.169 121.223 0.234 0.000 2.046 309 L HA -0.251 4.089 4.340 -0.001 0.000 0.208 309 L C 1.945 178.971 176.870 0.260 0.000 1.077 309 L CA 1.535 56.550 54.840 0.292 0.000 0.747 309 L CB -0.801 41.355 42.059 0.161 0.000 0.896 309 L HN 0.431 nan 8.230 nan 0.000 0.432 310 N N -0.693 118.103 118.700 0.159 0.000 2.188 310 N HA -0.153 4.587 4.740 -0.001 0.000 0.184 310 N C 1.685 177.251 175.510 0.094 0.000 1.018 310 N CA 1.337 54.473 53.050 0.143 0.000 0.858 310 N CB 0.076 38.629 38.487 0.109 0.000 0.989 310 N HN 0.291 nan 8.380 nan 0.000 0.426 311 S N -0.826 114.854 115.700 -0.033 0.000 2.575 311 S HA 0.236 4.705 4.470 -0.001 0.000 0.215 311 S C 1.343 175.564 174.600 -0.632 0.000 0.966 311 S CA 0.195 58.287 58.200 -0.181 0.000 0.911 311 S CB 0.430 63.553 63.200 -0.129 0.000 0.780 311 S HN 0.393 nan 8.310 nan 0.000 0.514 312 G N 2.050 110.300 108.800 -0.917 0.000 2.160 312 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.251 312 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.251 312 G C -0.013 174.002 174.900 -1.475 0.000 1.008 312 G CA 0.090 43.990 45.100 -2.000 0.000 0.724 312 G HN 0.614 nan 8.290 nan 0.000 0.514 313 N N 0.627 118.912 118.700 -0.691 0.000 2.895 313 N HA 0.509 5.249 4.740 -0.001 0.000 0.277 313 N C -0.157 175.292 175.510 -0.101 0.000 1.185 313 N CA -0.100 52.737 53.050 -0.355 0.000 1.106 313 N CB -0.886 37.525 38.487 -0.126 0.000 1.422 313 N HN 0.751 nan 8.380 nan 0.000 0.521 314 F N -0.994 118.903 119.950 -0.089 0.000 2.799 314 F HA 0.367 4.893 4.527 -0.001 0.000 0.316 314 F C -0.405 175.415 175.800 0.034 0.000 1.155 314 F CA -1.421 56.596 58.000 0.027 0.000 0.916 314 F CB 0.533 39.615 39.000 0.136 0.000 1.294 314 F HN -0.120 nan 8.300 nan 0.000 0.447 315 K N 1.982 122.627 120.400 0.409 0.000 2.484 315 K HA 0.157 4.477 4.320 -0.001 0.000 0.280 315 K C -0.948 175.907 176.600 0.424 0.000 1.013 315 K CA -0.074 56.368 56.287 0.260 0.000 1.029 315 K CB 0.469 33.053 32.500 0.139 0.000 0.902 315 K HN 0.750 nan 8.250 nan 0.000 0.481 316 K N 3.325 123.852 120.400 0.211 0.000 2.281 316 K HA 0.173 4.492 4.320 -0.001 0.000 0.272 316 K C -0.224 176.502 176.600 0.210 0.000 1.048 316 K CA -0.421 55.995 56.287 0.216 0.000 0.898 316 K CB 1.775 34.304 32.500 0.047 0.000 1.128 316 K HN 0.670 nan 8.250 nan 0.000 0.460 317 T N 1.377 116.139 114.554 0.345 0.000 2.646 317 T HA 0.189 4.538 4.350 -0.001 0.000 0.297 317 T C -1.515 173.387 174.700 0.336 0.000 1.363 317 T CA -0.574 61.674 62.100 0.248 0.000 1.056 317 T CB 0.907 69.883 68.868 0.179 0.000 1.779 317 T HN 0.426 nan 8.240 nan 0.000 0.459 318 Q N 0.979 120.947 119.800 0.280 0.000 2.235 318 Q HA 0.780 5.120 4.340 -0.001 0.000 0.256 318 Q C -0.384 175.895 176.000 0.465 0.000 0.951 318 Q CA -0.561 55.466 55.803 0.373 0.000 0.890 318 Q CB 1.584 30.546 28.738 0.372 0.000 1.279 318 Q HN 0.702 nan 8.270 nan 0.000 0.444 319 I N -1.488 119.294 120.570 0.353 0.000 2.865 319 I HA 0.727 4.896 4.170 -0.001 0.000 0.302 319 I C -1.549 174.427 176.117 -0.236 0.000 1.140 319 I CA -1.413 59.956 61.300 0.116 0.000 1.021 319 I CB 1.949 39.864 38.000 -0.142 0.000 1.233 319 I HN 0.572 nan 8.210 nan 0.000 0.427 320 L N 6.621 127.503 121.223 -0.568 0.000 2.410 320 L HA 0.811 5.151 4.340 -0.001 0.000 0.270 320 L C -1.424 175.227 176.870 -0.365 0.000 0.983 320 L CA -0.513 53.883 54.840 -0.740 0.000 0.822 320 L CB 1.769 42.861 42.059 -1.612 0.000 1.285 320 L HN 0.869 nan 8.230 nan 0.000 0.409 321 L N 2.316 123.442 121.223 -0.161 0.000 2.720 321 L HA 1.101 5.440 4.340 -0.001 0.000 0.261 321 L C -0.839 175.791 176.870 -0.401 0.000 1.046 321 L CA -0.388 54.381 54.840 -0.118 0.000 0.886 321 L CB 1.810 43.797 42.059 -0.120 0.000 1.493 321 L HN 0.706 nan 8.230 nan 0.000 0.407 322 G N -0.167 108.208 108.800 -0.710 0.000 2.430 322 G HA2 0.589 4.548 3.960 -0.001 0.000 0.300 322 G HA3 0.589 4.548 3.960 -0.001 0.000 0.300 322 G C -1.559 173.023 174.900 -0.531 0.000 1.330 322 G CA 0.008 44.375 45.100 -1.222 0.000 0.813 322 G HN 1.528 nan 8.290 nan 0.000 0.487 323 V N -2.452 117.322 119.914 -0.233 0.000 3.160 323 V HA 0.873 4.992 4.120 -0.001 0.000 0.310 323 V C -0.986 175.234 176.094 0.209 0.000 1.181 323 V CA -1.404 60.965 62.300 0.115 0.000 1.047 323 V CB 1.916 33.822 31.823 0.138 0.000 1.068 323 V HN 0.688 nan 8.190 nan 0.000 0.441 324 N N 0.824 119.659 118.700 0.225 0.000 2.472 324 N HA 0.434 5.174 4.740 -0.001 0.000 0.289 324 N C 0.566 176.059 175.510 -0.029 0.000 1.156 324 N CA -0.512 52.636 53.050 0.164 0.000 0.940 324 N CB 1.705 40.399 38.487 0.344 0.000 1.200 324 N HN 0.928 nan 8.380 nan 0.000 0.511 325 K N -0.022 120.255 120.400 -0.206 0.000 2.097 325 K HA -0.061 4.258 4.320 -0.001 0.000 0.206 325 K C -0.630 176.068 176.600 0.163 0.000 1.049 325 K CA 1.291 57.553 56.287 -0.042 0.000 0.933 325 K CB 0.211 32.686 32.500 -0.041 0.000 0.717 325 K HN 0.516 nan 8.250 nan 0.000 0.442 326 D N 1.085 121.569 120.400 0.140 0.000 2.607 326 D HA 0.033 4.673 4.640 -0.001 0.000 0.318 326 D C 0.057 176.461 176.300 0.172 0.000 1.212 326 D CA -0.094 53.998 54.000 0.153 0.000 0.861 326 D CB 1.276 42.139 40.800 0.105 0.000 1.064 326 D HN 0.164 nan 8.370 nan 0.000 0.500 327 E N 0.562 120.889 120.200 0.211 0.000 2.160 327 E HA -0.126 4.223 4.350 -0.001 0.000 0.195 327 E C 2.002 178.751 176.600 0.248 0.000 0.991 327 E CA 0.712 57.260 56.400 0.246 0.000 0.810 327 E CB 0.094 29.913 29.700 0.197 0.000 0.742 327 E HN 0.433 nan 8.360 nan 0.000 0.466 328 G N 1.422 110.351 108.800 0.215 0.000 2.511 328 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.217 328 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.217 328 G C 1.735 176.777 174.900 0.237 0.000 1.133 328 G CA 0.955 46.211 45.100 0.261 0.000 0.792 328 G HN 0.380 nan 8.290 nan 0.000 0.539 329 S N 0.440 116.223 115.700 0.138 0.000 2.380 329 S HA -0.213 4.257 4.470 -0.001 0.000 0.229 329 S C 2.092 176.652 174.600 -0.067 0.000 1.043 329 S CA 1.272 59.499 58.200 0.045 0.000 1.038 329 S CB -0.770 62.342 63.200 -0.147 0.000 0.872 329 S HN 0.341 nan 8.310 nan 0.000 0.456 330 F N 1.017 120.805 119.950 -0.270 0.000 2.095 330 F HA -0.046 4.480 4.527 -0.001 0.000 0.298 330 F C 1.986 177.459 175.800 -0.544 0.000 1.104 330 F CA 1.441 59.108 58.000 -0.555 0.000 1.232 330 F CB -0.205 38.257 39.000 -0.898 0.000 0.987 330 F HN 0.188 nan 8.300 nan 0.000 0.475 331 F N -0.331 119.620 119.950 0.002 0.000 2.325 331 F HA -0.124 4.403 4.527 -0.001 0.000 0.299 331 F C 1.949 177.725 175.800 -0.040 0.000 1.090 331 F CA 0.728 58.681 58.000 -0.079 0.000 1.392 331 F CB -0.768 38.113 39.000 -0.200 0.000 1.053 331 F HN -0.097 nan 8.300 nan 0.000 0.521 332 L N -0.851 120.368 121.223 -0.005 0.000 2.095 332 L HA -0.139 4.201 4.340 -0.001 0.000 0.204 332 L C 2.413 179.153 176.870 -0.218 0.000 1.080 332 L CA 0.433 55.041 54.840 -0.386 0.000 0.759 332 L CB -0.583 40.847 42.059 -1.049 0.000 0.914 332 L HN 0.144 nan 8.230 nan 0.000 0.439 333 L N -0.564 120.738 121.223 0.132 0.000 2.012 333 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 333 L C 0.973 178.039 176.870 0.326 0.000 1.073 333 L CA 1.776 56.865 54.840 0.416 0.000 0.748 333 L CB -0.603 41.754 42.059 0.497 0.000 0.891 333 L HN 0.105 nan 8.230 nan 0.000 0.431 334 Y N 0.342 120.703 120.300 0.102 0.000 2.930 334 Y HA 0.470 5.020 4.550 -0.001 0.000 0.386 334 Y C 1.341 177.235 175.900 -0.010 0.000 1.185 334 Y CA 0.156 58.278 58.100 0.038 0.000 1.922 334 Y CB -0.100 38.324 38.460 -0.059 0.000 2.006 334 Y HN 0.319 nan 8.280 nan 0.000 0.431 335 G N -0.678 108.193 108.800 0.118 0.000 3.876 335 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.203 335 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.203 335 G C 0.255 175.206 174.900 0.086 0.000 1.162 335 G CA -0.352 44.791 45.100 0.073 0.000 0.903 335 G HN 0.553 nan 8.290 nan 0.000 0.390 336 A N 3.079 125.956 122.820 0.096 0.000 2.477 336 A HA 0.612 4.932 4.320 -0.001 0.000 0.246 336 A C -1.602 176.140 177.584 0.264 0.000 1.078 336 A CA -0.431 51.697 52.037 0.152 0.000 0.770 336 A CB -0.174 18.885 19.000 0.098 0.000 1.011 336 A HN 0.287 nan 8.150 nan 0.000 0.494 337 P HA 0.242 nan 4.420 nan 0.000 0.268 337 P C 0.862 178.234 177.300 0.121 0.000 1.204 337 P CA 1.303 64.481 63.100 0.130 0.000 0.768 337 P CB 1.044 32.789 31.700 0.074 0.000 0.842 338 G N 1.875 110.692 108.800 0.029 0.000 2.232 338 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.226 338 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.226 338 G C -0.253 174.463 174.900 -0.305 0.000 0.996 338 G CA -0.487 44.518 45.100 -0.159 0.000 0.626 338 G HN 0.427 nan 8.290 nan 0.000 0.509 339 F N 2.170 122.061 119.950 -0.099 0.000 2.404 339 F HA 0.742 5.269 4.527 -0.001 0.000 0.339 339 F C 0.688 176.492 175.800 0.008 0.000 1.105 339 F CA -0.309 57.596 58.000 -0.158 0.000 1.087 339 F CB 2.167 41.116 39.000 -0.085 0.000 1.143 339 F HN 0.064 nan 8.300 nan 0.000 0.491 340 S N 1.470 117.295 115.700 0.208 0.000 2.588 340 S HA 0.294 4.763 4.470 -0.001 0.000 0.275 340 S C 0.568 175.400 174.600 0.387 0.000 1.130 340 S CA -1.146 57.206 58.200 0.252 0.000 0.855 340 S CB 2.295 65.566 63.200 0.118 0.000 1.116 340 S HN 0.694 nan 8.310 nan 0.000 0.472 341 K N 0.456 121.031 120.400 0.291 0.000 2.097 341 K HA -0.057 4.263 4.320 -0.001 0.000 0.205 341 K C -0.088 176.582 176.600 0.117 0.000 1.050 341 K CA 1.370 57.752 56.287 0.160 0.000 0.938 341 K CB 0.005 32.311 32.500 -0.323 0.000 0.718 341 K HN 0.471 nan 8.250 nan 0.000 0.442 342 D N 0.389 120.829 120.400 0.068 0.000 2.342 342 D HA 0.013 4.653 4.640 -0.001 0.000 0.221 342 D C 0.027 176.368 176.300 0.069 0.000 1.101 342 D CA 0.136 54.156 54.000 0.034 0.000 0.837 342 D CB 0.700 41.487 40.800 -0.022 0.000 0.938 342 D HN 0.176 nan 8.370 nan 0.000 0.508 343 S N -1.114 114.653 115.700 0.111 0.000 2.709 343 S HA 0.357 4.827 4.470 -0.001 0.000 0.302 343 S C 0.725 175.361 174.600 0.060 0.000 1.127 343 S CA -0.765 57.461 58.200 0.044 0.000 0.905 343 S CB 2.266 65.448 63.200 -0.029 0.000 1.151 343 S HN -0.140 nan 8.310 nan 0.000 0.510 344 E N 0.605 120.795 120.200 -0.017 0.000 2.478 344 E HA 0.083 4.433 4.350 -0.001 0.000 0.198 344 E C -0.368 175.995 176.600 -0.395 0.000 1.046 344 E CA 0.337 56.712 56.400 -0.042 0.000 0.870 344 E CB -0.216 29.473 29.700 -0.018 0.000 0.818 344 E HN 0.675 nan 8.360 nan 0.000 0.527 345 S N 1.062 116.475 115.700 -0.478 0.000 3.706 345 S HA -0.172 4.297 4.470 -0.001 0.000 0.363 345 S C -0.255 173.960 174.600 -0.642 0.000 0.999 345 S CA 0.638 58.398 58.200 -0.732 0.000 1.143 345 S CB -1.128 61.229 63.200 -1.406 0.000 0.902 345 S HN 0.290 nan 8.310 nan 0.000 0.476 346 K N 0.863 121.036 120.400 -0.378 0.000 2.412 346 K HA 0.253 4.573 4.320 -0.001 0.000 0.281 346 K C 0.310 176.717 176.600 -0.321 0.000 1.027 346 K CA -0.040 56.078 56.287 -0.283 0.000 0.989 346 K CB 0.377 32.776 32.500 -0.169 0.000 0.935 346 K HN 0.198 nan 8.250 nan 0.000 0.475 347 I N 2.649 123.042 120.570 -0.295 0.000 2.359 347 I HA 0.056 4.226 4.170 -0.001 0.000 0.294 347 I C 0.941 176.989 176.117 -0.115 0.000 0.987 347 I CA -0.330 60.817 61.300 -0.255 0.000 1.225 347 I CB 1.226 39.065 38.000 -0.269 0.000 1.366 347 I HN 0.690 nan 8.210 nan 0.000 0.466 348 S N 6.037 121.686 115.700 -0.087 0.000 2.600 348 S HA 0.208 4.677 4.470 -0.001 0.000 0.265 348 S C 1.178 175.789 174.600 0.017 0.000 1.325 348 S CA -0.298 57.878 58.200 -0.041 0.000 1.002 348 S CB 1.386 64.567 63.200 -0.031 0.000 0.921 348 S HN 0.606 nan 8.310 nan 0.000 0.554 349 R N 0.878 121.381 120.500 0.005 0.000 2.096 349 R HA -0.082 4.258 4.340 -0.001 0.000 0.235 349 R C 2.242 178.617 176.300 0.125 0.000 1.127 349 R CA 2.173 58.291 56.100 0.030 0.000 0.968 349 R CB -0.897 29.402 30.300 -0.002 0.000 0.861 349 R HN 0.948 nan 8.270 nan 0.000 0.440 350 E N -0.336 119.913 120.200 0.082 0.000 2.072 350 E HA -0.150 4.199 4.350 -0.001 0.000 0.190 350 E C 1.005 177.661 176.600 0.093 0.000 0.982 350 E CA 1.597 58.047 56.400 0.085 0.000 0.803 350 E CB -0.071 29.658 29.700 0.049 0.000 0.755 350 E HN 0.282 nan 8.360 nan 0.000 0.453 351 D N -0.271 120.174 120.400 0.076 0.000 2.224 351 D HA -0.114 4.525 4.640 -0.001 0.000 0.205 351 D C 1.476 177.842 176.300 0.110 0.000 0.965 351 D CA 0.489 54.529 54.000 0.066 0.000 0.852 351 D CB -0.266 40.538 40.800 0.006 0.000 0.947 351 D HN 0.227 nan 8.370 nan 0.000 0.494 352 F N 1.165 121.121 119.950 0.009 0.000 2.095 352 F HA -0.192 4.335 4.527 -0.001 0.000 0.298 352 F C 2.261 178.093 175.800 0.052 0.000 1.104 352 F CA 1.453 59.472 58.000 0.032 0.000 1.232 352 F CB -0.182 38.814 39.000 -0.006 0.000 0.987 352 F HN -0.156 nan 8.300 nan 0.000 0.475 353 M N -0.712 119.009 119.600 0.202 0.000 2.175 353 M HA -0.203 4.276 4.480 -0.001 0.000 0.264 353 M C 2.313 178.618 176.300 0.008 0.000 1.063 353 M CA 1.638 57.003 55.300 0.109 0.000 1.119 353 M CB -0.612 32.094 32.600 0.176 0.000 1.377 353 M HN 0.084 nan 8.290 nan 0.000 0.415 354 S N 0.581 116.297 115.700 0.028 0.000 2.368 354 S HA -0.098 4.371 4.470 -0.001 0.000 0.225 354 S C 2.002 176.595 174.600 -0.013 0.000 1.030 354 S CA 1.456 59.666 58.200 0.018 0.000 0.999 354 S CB -0.750 62.474 63.200 0.040 0.000 0.844 354 S HN 0.691 nan 8.310 nan 0.000 0.459 355 G N 1.245 110.023 108.800 -0.037 0.000 2.440 355 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.218 355 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.218 355 G C 1.464 176.281 174.900 -0.139 0.000 1.154 355 G CA 1.030 46.093 45.100 -0.062 0.000 0.767 355 G HN 0.419 nan 8.290 nan 0.000 0.552 356 V N 0.773 120.543 119.914 -0.239 0.000 2.332 356 V HA -0.197 3.922 4.120 -0.001 0.000 0.248 356 V C 2.696 178.732 176.094 -0.097 0.000 1.055 356 V CA 2.347 64.528 62.300 -0.199 0.000 1.038 356 V CB -0.400 31.311 31.823 -0.186 0.000 0.651 356 V HN 0.434 nan 8.190 nan 0.000 0.450 357 K N -0.364 119.994 120.400 -0.070 0.000 2.097 357 K HA -0.106 4.214 4.320 -0.001 0.000 0.205 357 K C 2.064 178.634 176.600 -0.049 0.000 1.050 357 K CA 1.284 57.536 56.287 -0.058 0.000 0.938 357 K CB -0.123 32.356 32.500 -0.034 0.000 0.718 357 K HN 0.408 nan 8.250 nan 0.000 0.442 358 L N 0.267 121.475 121.223 -0.026 0.000 2.217 358 L HA -0.093 4.247 4.340 -0.001 0.000 0.211 358 L C 2.156 179.031 176.870 0.009 0.000 1.107 358 L CA 0.794 55.638 54.840 0.006 0.000 0.783 358 L CB -0.082 41.990 42.059 0.022 0.000 0.919 358 L HN 0.114 nan 8.230 nan 0.000 0.442 359 S N -0.952 114.735 115.700 -0.021 0.000 2.436 359 S HA 0.013 4.482 4.470 -0.001 0.000 0.228 359 S C 0.935 175.512 174.600 -0.037 0.000 1.014 359 S CA 0.437 58.629 58.200 -0.014 0.000 0.950 359 S CB 0.311 63.480 63.200 -0.052 0.000 0.784 359 S HN 0.148 nan 8.310 nan 0.000 0.504 360 V N 3.158 123.016 119.914 -0.092 0.000 2.361 360 V HA 0.214 4.333 4.120 -0.001 0.000 0.252 360 V C -1.804 174.154 176.094 -0.227 0.000 0.986 360 V CA -1.369 60.812 62.300 -0.198 0.000 1.033 360 V CB 0.863 32.538 31.823 -0.247 0.000 1.282 360 V HN 0.171 nan 8.190 nan 0.000 0.514 361 P HA -0.199 nan 4.420 nan 0.000 0.218 361 P C 1.230 178.155 177.300 -0.624 0.000 1.148 361 P CA 1.625 64.570 63.100 -0.259 0.000 0.822 361 P CB 0.049 31.736 31.700 -0.021 0.000 0.784 362 H N -0.615 118.192 119.070 -0.439 0.000 2.547 362 H HA 0.379 4.934 4.556 -0.001 0.000 0.272 362 H C 0.687 175.854 175.328 -0.268 0.000 0.989 362 H CA 0.019 55.828 56.048 -0.397 0.000 1.214 362 H CB -0.940 28.761 29.762 -0.102 0.000 1.389 362 H HN 0.006 nan 8.280 nan 0.000 0.577 363 A N 2.361 124.840 122.820 -0.568 0.000 2.371 363 A HA 0.259 4.579 4.320 -0.001 0.000 0.257 363 A C 0.368 177.811 177.584 -0.235 0.000 1.089 363 A CA -0.338 51.467 52.037 -0.387 0.000 0.794 363 A CB 0.305 19.076 19.000 -0.381 0.000 1.029 363 A HN 0.662 nan 8.150 nan 0.000 0.488 364 N N 0.935 119.540 118.700 -0.159 0.000 2.405 364 N HA 0.162 4.902 4.740 -0.001 0.000 0.269 364 N C -0.064 175.398 175.510 -0.080 0.000 1.249 364 N CA -0.400 52.587 53.050 -0.104 0.000 0.974 364 N CB 0.178 38.621 38.487 -0.073 0.000 1.204 364 N HN 0.465 nan 8.380 nan 0.000 0.565 365 D N -0.722 119.649 120.400 -0.048 0.000 2.149 365 D HA -0.141 4.499 4.640 -0.001 0.000 0.198 365 D C 1.671 177.966 176.300 -0.008 0.000 0.990 365 D CA 0.847 54.833 54.000 -0.023 0.000 0.839 365 D CB -0.246 40.548 40.800 -0.010 0.000 0.948 365 D HN 0.447 nan 8.370 nan 0.000 0.460 366 L N 0.806 122.021 121.223 -0.014 0.000 2.046 366 L HA 0.008 4.348 4.340 -0.001 0.000 0.208 366 L C 2.191 179.070 176.870 0.015 0.000 1.077 366 L CA 2.037 56.879 54.840 0.005 0.000 0.747 366 L CB -0.916 41.138 42.059 -0.008 0.000 0.896 366 L HN 0.057 nan 8.230 nan 0.000 0.432 367 G N -0.533 108.249 108.800 -0.031 0.000 2.418 367 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.217 367 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.217 367 G C 1.586 176.491 174.900 0.008 0.000 1.158 367 G CA 1.017 46.092 45.100 -0.042 0.000 0.771 367 G HN 0.440 nan 8.290 nan 0.000 0.545 368 L N 0.412 121.629 121.223 -0.010 0.000 2.083 368 L HA -0.045 4.294 4.340 -0.001 0.000 0.209 368 L C 2.448 179.370 176.870 0.088 0.000 1.083 368 L CA 1.020 55.873 54.840 0.020 0.000 0.752 368 L CB -0.347 41.710 42.059 -0.004 0.000 0.899 368 L HN 0.075 nan 8.230 nan 0.000 0.433 369 D N 0.312 120.765 120.400 0.089 0.000 2.117 369 D HA -0.140 4.499 4.640 -0.001 0.000 0.197 369 D C 2.265 178.661 176.300 0.160 0.000 0.987 369 D CA 1.489 55.563 54.000 0.123 0.000 0.829 369 D CB -0.029 40.822 40.800 0.086 0.000 0.961 369 D HN 0.291 nan 8.370 nan 0.000 0.460 370 A N 0.630 123.557 122.820 0.178 0.000 1.883 370 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 370 A C 2.545 180.248 177.584 0.198 0.000 1.186 370 A CA 1.463 53.659 52.037 0.266 0.000 0.624 370 A CB -0.801 18.465 19.000 0.443 0.000 0.822 370 A HN 0.146 nan 8.150 nan 0.000 0.444 371 V N -0.315 119.734 119.914 0.226 0.000 2.261 371 V HA -0.247 3.873 4.120 -0.001 0.000 0.246 371 V C 2.740 178.951 176.094 0.195 0.000 1.047 371 V CA 2.525 64.897 62.300 0.121 0.000 1.015 371 V CB -1.490 30.436 31.823 0.170 0.000 0.642 371 V HN 0.602 nan 8.190 nan 0.000 0.446 372 T N 0.838 115.546 114.554 0.256 0.000 2.665 372 T HA -0.264 4.086 4.350 -0.001 0.000 0.268 372 T C 1.914 176.838 174.700 0.373 0.000 1.035 372 T CA 2.199 64.542 62.100 0.406 0.000 1.151 372 T CB -0.467 68.639 68.868 0.397 0.000 0.862 372 T HN 0.350 nan 8.240 nan 0.000 0.438 373 L N 1.132 122.557 121.223 0.336 0.000 2.012 373 L HA -0.121 4.218 4.340 -0.001 0.000 0.210 373 L C 2.487 179.481 176.870 0.207 0.000 1.073 373 L CA 1.922 57.002 54.840 0.400 0.000 0.748 373 L CB -0.794 41.386 42.059 0.202 0.000 0.891 373 L HN 0.107 nan 8.230 nan 0.000 0.431 374 Q N -1.321 118.456 119.800 -0.038 0.000 2.170 374 Q HA -0.177 4.162 4.340 -0.001 0.000 0.203 374 Q C 1.068 176.854 176.000 -0.356 0.000 0.976 374 Q CA 1.820 57.429 55.803 -0.324 0.000 0.858 374 Q CB -0.188 28.057 28.738 -0.822 0.000 0.907 374 Q HN 0.733 nan 8.270 nan 0.000 0.433 375 Y N -1.169 119.099 120.300 -0.052 0.000 2.584 375 Y HA 0.329 4.878 4.550 -0.001 0.000 0.254 375 Y C -0.247 175.580 175.900 -0.122 0.000 1.177 375 Y CA -0.223 57.888 58.100 0.019 0.000 1.216 375 Y CB 0.916 39.505 38.460 0.215 0.000 1.172 375 Y HN -0.194 nan 8.280 nan 0.000 0.529 376 T N 0.455 114.850 114.554 -0.265 0.000 2.824 376 T HA 0.117 4.466 4.350 -0.001 0.000 0.280 376 T C -0.888 173.357 174.700 -0.759 0.000 0.995 376 T CA -0.688 60.949 62.100 -0.771 0.000 1.009 376 T CB 1.272 69.233 68.868 -1.513 0.000 0.955 376 T HN -0.008 nan 8.240 nan 0.000 0.452 377 D N 1.706 121.738 120.400 -0.613 0.000 2.411 377 D HA 0.122 4.761 4.640 -0.001 0.000 0.225 377 D C 0.063 176.104 176.300 -0.432 0.000 1.156 377 D CA -0.780 52.997 54.000 -0.372 0.000 0.874 377 D CB 0.381 41.047 40.800 -0.222 0.000 1.034 377 D HN 0.602 nan 8.370 nan 0.000 0.502 378 W N 3.150 124.401 121.300 -0.082 0.000 2.721 378 W HA 0.010 4.670 4.660 -0.001 0.000 0.245 378 W C 2.045 178.529 176.519 -0.059 0.000 1.276 378 W CA -0.080 57.221 57.345 -0.073 0.000 1.342 378 W CB -0.043 29.379 29.460 -0.063 0.000 1.135 378 W HN 0.391 nan 8.180 nan 0.000 0.654 379 M N -1.136 118.513 119.600 0.081 0.000 2.435 379 M HA -0.004 4.476 4.480 -0.001 0.000 0.265 379 M C 0.263 176.564 176.300 0.001 0.000 1.104 379 M CA 1.256 56.584 55.300 0.047 0.000 1.140 379 M CB 0.036 32.650 32.600 0.023 0.000 1.372 379 M HN -0.231 nan 8.290 nan 0.000 0.456 380 D N 0.448 120.816 120.400 -0.054 0.000 2.945 380 D HA 0.027 4.666 4.640 -0.001 0.000 0.369 380 D C 0.269 176.481 176.300 -0.146 0.000 1.294 380 D CA 0.010 53.964 54.000 -0.077 0.000 0.778 380 D CB 0.229 40.987 40.800 -0.070 0.000 1.188 380 D HN 0.211 nan 8.370 nan 0.000 0.479 381 D N -0.952 119.353 120.400 -0.159 0.000 2.378 381 D HA -0.090 4.550 4.640 -0.001 0.000 0.227 381 D C 0.362 176.533 176.300 -0.214 0.000 1.012 381 D CA 0.279 54.111 54.000 -0.279 0.000 0.905 381 D CB -0.099 40.544 40.800 -0.261 0.000 0.895 381 D HN 0.296 nan 8.370 nan 0.000 0.532 382 N N -0.155 118.468 118.700 -0.130 0.000 2.187 382 N HA -0.031 4.709 4.740 -0.001 0.000 0.212 382 N C -0.047 175.404 175.510 -0.097 0.000 1.152 382 N CA -0.399 52.592 53.050 -0.099 0.000 0.872 382 N CB 0.269 38.723 38.487 -0.055 0.000 1.025 382 N HN -0.018 nan 8.380 nan 0.000 0.514 383 N N 0.997 119.630 118.700 -0.112 0.000 2.416 383 N HA 0.015 4.754 4.740 -0.001 0.000 0.265 383 N C 1.173 176.623 175.510 -0.100 0.000 1.195 383 N CA 0.134 53.129 53.050 -0.092 0.000 0.943 383 N CB 1.013 39.448 38.487 -0.087 0.000 1.115 383 N HN 0.223 nan 8.380 nan 0.000 0.481 384 G N 4.430 113.176 108.800 -0.089 0.000 2.450 384 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.220 384 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.220 384 G C 1.470 176.313 174.900 -0.094 0.000 1.130 384 G CA 0.398 45.437 45.100 -0.102 0.000 0.760 384 G HN 0.647 nan 8.290 nan 0.000 0.557 385 I N 0.629 121.160 120.570 -0.065 0.000 2.252 385 I HA -0.054 4.115 4.170 -0.001 0.000 0.245 385 I C 2.576 178.692 176.117 -0.001 0.000 1.102 385 I CA 1.171 62.454 61.300 -0.030 0.000 1.385 385 I CB -0.857 37.139 38.000 -0.008 0.000 1.064 385 I HN 0.193 nan 8.210 nan 0.000 0.414 386 K N 0.622 121.006 120.400 -0.026 0.000 2.097 386 K HA -0.132 4.187 4.320 -0.001 0.000 0.205 386 K C 1.875 178.470 176.600 -0.009 0.000 1.050 386 K CA 1.081 57.354 56.287 -0.025 0.000 0.938 386 K CB -0.028 32.422 32.500 -0.083 0.000 0.718 386 K HN 0.267 nan 8.250 nan 0.000 0.442 387 N N 0.687 119.358 118.700 -0.048 0.000 2.142 387 N HA -0.162 4.577 4.740 -0.001 0.000 0.186 387 N C 1.681 177.340 175.510 0.248 0.000 1.023 387 N CA 0.876 53.948 53.050 0.036 0.000 0.852 387 N CB -0.172 38.297 38.487 -0.029 0.000 0.998 387 N HN 0.158 nan 8.380 nan 0.000 0.424 388 R N 1.321 121.879 120.500 0.097 0.000 2.070 388 R HA -0.114 4.225 4.340 -0.001 0.000 0.233 388 R C 0.757 177.225 176.300 0.279 0.000 1.137 388 R CA 1.564 57.735 56.100 0.119 0.000 0.945 388 R CB -0.317 29.938 30.300 -0.076 0.000 0.845 388 R HN 0.105 nan 8.270 nan 0.000 0.430 389 D N -0.529 120.002 120.400 0.218 0.000 2.144 389 D HA -0.093 4.546 4.640 -0.001 0.000 0.199 389 D C 1.738 178.198 176.300 0.267 0.000 0.984 389 D CA 1.520 55.663 54.000 0.239 0.000 0.834 389 D CB -0.579 40.329 40.800 0.179 0.000 0.955 389 D HN 0.528 nan 8.370 nan 0.000 0.465 390 G N 0.618 109.595 108.800 0.294 0.000 2.418 390 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.217 390 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.217 390 G C 1.746 176.841 174.900 0.325 0.000 1.158 390 G CA 0.119 45.457 45.100 0.397 0.000 0.771 390 G HN 0.246 nan 8.290 nan 0.000 0.545 391 L N 0.168 121.583 121.223 0.321 0.000 2.046 391 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 391 L C 2.641 179.568 176.870 0.095 0.000 1.077 391 L CA 1.417 56.317 54.840 0.100 0.000 0.747 391 L CB -0.263 41.908 42.059 0.186 0.000 0.896 391 L HN 0.193 nan 8.230 nan 0.000 0.432 392 D N 0.104 120.628 120.400 0.207 0.000 2.104 392 D HA -0.238 4.401 4.640 -0.001 0.000 0.194 392 D C 1.677 178.061 176.300 0.141 0.000 0.994 392 D CA 1.500 55.617 54.000 0.194 0.000 0.830 392 D CB 0.022 40.989 40.800 0.277 0.000 0.959 392 D HN 0.255 nan 8.370 nan 0.000 0.452 393 D N -0.093 120.407 120.400 0.167 0.000 2.144 393 D HA -0.096 4.543 4.640 -0.001 0.000 0.199 393 D C 2.331 178.639 176.300 0.013 0.000 0.984 393 D CA 0.344 54.454 54.000 0.184 0.000 0.834 393 D CB -0.258 40.764 40.800 0.371 0.000 0.955 393 D HN 0.360 nan 8.370 nan 0.000 0.465 394 I N 0.372 120.791 120.570 -0.250 0.000 2.127 394 I HA -0.263 3.907 4.170 -0.001 0.000 0.241 394 I C 2.391 178.371 176.117 -0.228 0.000 1.075 394 I CA 0.750 61.808 61.300 -0.403 0.000 1.334 394 I CB -0.126 37.632 38.000 -0.403 0.000 1.040 394 I HN -0.097 nan 8.210 nan 0.000 0.405 395 V N 0.774 120.615 119.914 -0.122 0.000 2.295 395 V HA -0.220 3.900 4.120 -0.001 0.000 0.246 395 V C 2.531 178.549 176.094 -0.127 0.000 1.049 395 V CA 2.207 64.459 62.300 -0.080 0.000 1.024 395 V CB -1.480 30.371 31.823 0.045 0.000 0.648 395 V HN 0.587 nan 8.190 nan 0.000 0.447 396 G N -0.474 108.304 108.800 -0.036 0.000 2.402 396 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.216 396 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.216 396 G C 1.239 176.076 174.900 -0.105 0.000 1.162 396 G CA 0.948 46.036 45.100 -0.020 0.000 0.777 396 G HN 0.491 nan 8.290 nan 0.000 0.539 397 D N -0.179 120.157 120.400 -0.105 0.000 2.084 397 D HA -0.090 4.550 4.640 -0.001 0.000 0.196 397 D C 2.099 178.081 176.300 -0.531 0.000 0.985 397 D CA 1.322 55.230 54.000 -0.153 0.000 0.826 397 D CB -0.484 40.378 40.800 0.103 0.000 0.978 397 D HN 0.418 nan 8.370 nan 0.000 0.456 398 H N 0.868 119.300 119.070 -1.063 0.000 2.353 398 H HA 0.028 4.584 4.556 -0.001 0.000 0.300 398 H C 1.487 176.422 175.328 -0.655 0.000 1.090 398 H CA 1.728 57.011 56.048 -1.275 0.000 1.327 398 H CB 0.025 28.857 29.762 -1.550 0.000 1.383 398 H HN 0.005 nan 8.280 nan 0.000 0.508 399 N N -0.705 117.529 118.700 -0.777 0.000 2.415 399 N HA -0.009 4.730 4.740 -0.001 0.000 0.176 399 N C 1.116 176.334 175.510 -0.486 0.000 1.042 399 N CA 1.058 53.601 53.050 -0.846 0.000 0.902 399 N CB 1.059 38.658 38.487 -1.480 0.000 0.986 399 N HN 0.277 nan 8.380 nan 0.000 0.447 400 V N 0.412 120.130 119.914 -0.326 0.000 3.278 400 V HA 0.146 4.266 4.120 -0.001 0.000 0.215 400 V C 2.058 178.114 176.094 -0.063 0.000 1.287 400 V CA -0.064 62.175 62.300 -0.102 0.000 1.302 400 V CB 0.109 31.940 31.823 0.013 0.000 1.228 400 V HN -0.064 nan 8.190 nan 0.000 0.523 401 I N 0.639 121.188 120.570 -0.036 0.000 2.113 401 I HA -0.288 3.881 4.170 -0.001 0.000 0.238 401 I C 2.588 178.710 176.117 0.007 0.000 1.070 401 I CA 1.982 63.290 61.300 0.014 0.000 1.332 401 I CB -0.540 37.505 38.000 0.075 0.000 1.044 401 I HN 0.384 nan 8.210 nan 0.000 0.402 402 c N 0.768 119.366 118.600 -0.003 0.000 2.425 402 c HA -0.053 4.516 4.570 -0.001 0.000 0.277 402 c C 0.279 174.397 174.090 0.046 0.000 1.280 402 c CA 0.764 57.134 56.329 0.068 0.000 1.744 402 c CB -1.907 40.693 42.510 0.150 0.000 1.989 402 c HN 0.376 nan 8.230 nan 0.000 0.491 403 P HA -0.084 nan 4.420 nan 0.000 0.217 403 P C 1.745 179.063 177.300 0.029 0.000 1.150 403 P CA 1.045 64.112 63.100 -0.055 0.000 0.832 403 P CB -0.183 31.384 31.700 -0.222 0.000 0.787 404 L N -1.805 119.415 121.223 -0.006 0.000 2.093 404 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 404 L C 2.081 178.992 176.870 0.068 0.000 1.085 404 L CA 1.595 56.449 54.840 0.023 0.000 0.755 404 L CB -0.515 41.530 42.059 -0.023 0.000 0.904 404 L HN -0.109 nan 8.230 nan 0.000 0.435 405 M N -1.052 118.578 119.600 0.050 0.000 2.159 405 M HA -0.220 4.259 4.480 -0.001 0.000 0.263 405 M C 2.239 178.595 176.300 0.093 0.000 1.063 405 M CA 1.611 56.937 55.300 0.043 0.000 1.110 405 M CB -1.544 31.100 32.600 0.073 0.000 1.374 405 M HN 0.420 nan 8.290 nan 0.000 0.411 406 H N -0.211 118.895 119.070 0.061 0.000 2.357 406 H HA -0.159 4.397 4.556 -0.001 0.000 0.301 406 H C 1.831 177.202 175.328 0.072 0.000 1.082 406 H CA 1.939 58.029 56.048 0.070 0.000 1.342 406 H CB -0.322 29.479 29.762 0.065 0.000 1.389 406 H HN 0.244 nan 8.280 nan 0.000 0.511 407 F N -0.003 119.910 119.950 -0.062 0.000 2.102 407 F HA -0.169 4.358 4.527 -0.001 0.000 0.298 407 F C 2.469 178.192 175.800 -0.127 0.000 1.105 407 F CA 1.502 59.429 58.000 -0.122 0.000 1.239 407 F CB -0.878 38.052 39.000 -0.117 0.000 0.991 407 F HN 0.133 nan 8.300 nan 0.000 0.474 408 V N 1.035 120.863 119.914 -0.143 0.000 2.407 408 V HA -0.264 3.856 4.120 -0.001 0.000 0.248 408 V C 2.195 178.133 176.094 -0.261 0.000 1.055 408 V CA 2.487 64.596 62.300 -0.319 0.000 1.049 408 V CB -0.644 30.925 31.823 -0.424 0.000 0.662 408 V HN 0.442 nan 8.190 nan 0.000 0.455 409 N N -0.049 118.566 118.700 -0.142 0.000 2.142 409 N HA -0.104 4.635 4.740 -0.001 0.000 0.186 409 N C 1.830 177.297 175.510 -0.072 0.000 1.023 409 N CA 1.159 54.212 53.050 0.004 0.000 0.852 409 N CB -0.217 38.308 38.487 0.062 0.000 0.998 409 N HN 0.415 nan 8.380 nan 0.000 0.424 410 K N 0.530 120.805 120.400 -0.208 0.000 2.057 410 K HA -0.130 4.190 4.320 -0.001 0.000 0.207 410 K C 1.961 178.535 176.600 -0.043 0.000 1.049 410 K CA 0.745 56.949 56.287 -0.139 0.000 0.931 410 K CB -0.767 31.596 32.500 -0.228 0.000 0.714 410 K HN 0.295 nan 8.250 nan 0.000 0.440 411 Y N 2.222 122.273 120.300 -0.416 0.000 2.145 411 Y HA -0.218 4.332 4.550 -0.001 0.000 0.286 411 Y C 2.289 178.172 175.900 -0.029 0.000 1.145 411 Y CA 1.973 59.822 58.100 -0.418 0.000 1.148 411 Y CB -0.440 37.446 38.460 -0.957 0.000 0.981 411 Y HN 0.031 nan 8.280 nan 0.000 0.507 412 T N -0.383 114.197 114.554 0.043 0.000 2.849 412 T HA -0.210 4.139 4.350 -0.001 0.000 0.270 412 T C 1.954 176.649 174.700 -0.009 0.000 1.066 412 T CA 1.582 63.739 62.100 0.096 0.000 1.130 412 T CB -0.239 68.778 68.868 0.249 0.000 0.864 412 T HN 0.157 nan 8.240 nan 0.000 0.481 413 K N 0.364 120.725 120.400 -0.065 0.000 2.147 413 K HA 0.021 4.340 4.320 -0.001 0.000 0.205 413 K C 1.599 177.917 176.600 -0.470 0.000 1.049 413 K CA 0.919 57.040 56.287 -0.276 0.000 0.936 413 K CB -0.463 31.809 32.500 -0.379 0.000 0.722 413 K HN 0.644 nan 8.250 nan 0.000 0.446 414 F N -0.848 119.036 119.950 -0.110 0.000 2.746 414 F HA 0.357 4.883 4.527 -0.001 0.000 0.313 414 F C 1.577 177.257 175.800 -0.201 0.000 1.095 414 F CA -0.371 57.529 58.000 -0.166 0.000 1.224 414 F CB 0.095 38.936 39.000 -0.264 0.000 1.060 414 F HN 0.147 nan 8.300 nan 0.000 0.584 415 G N -0.084 108.640 108.800 -0.126 0.000 2.611 415 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.273 415 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.273 415 G C 0.372 175.321 174.900 0.082 0.000 1.305 415 G CA -0.356 44.703 45.100 -0.067 0.000 1.010 415 G HN 0.261 nan 8.290 nan 0.000 0.509 416 N N -0.479 118.322 118.700 0.169 0.000 2.234 416 N HA 0.272 5.011 4.740 -0.001 0.000 0.227 416 N C 0.271 175.867 175.510 0.144 0.000 1.151 416 N CA 0.463 53.589 53.050 0.127 0.000 0.865 416 N CB 0.373 38.928 38.487 0.113 0.000 1.066 416 N HN 0.859 nan 8.380 nan 0.000 0.515 417 G N 0.451 109.352 108.800 0.167 0.000 2.196 417 G HA2 0.025 3.984 3.960 -0.001 0.000 0.215 417 G HA3 0.025 3.984 3.960 -0.001 0.000 0.215 417 G C -1.317 173.644 174.900 0.101 0.000 1.640 417 G CA -0.727 44.440 45.100 0.112 0.000 0.946 417 G HN 0.017 nan 8.290 nan 0.000 0.710 418 T N 1.535 116.023 114.554 -0.109 0.000 2.861 418 T HA 0.682 5.031 4.350 -0.001 0.000 0.287 418 T C -1.310 173.126 174.700 -0.439 0.000 1.003 418 T CA -0.361 61.668 62.100 -0.118 0.000 0.977 418 T CB 1.382 70.265 68.868 0.025 0.000 0.996 418 T HN 0.431 nan 8.240 nan 0.000 0.448 419 Y N 2.050 122.265 120.300 -0.141 0.000 2.326 419 Y HA 0.627 5.176 4.550 -0.001 0.000 0.329 419 Y C -0.544 175.395 175.900 0.065 0.000 0.973 419 Y CA -1.094 56.873 58.100 -0.221 0.000 1.162 419 Y CB 1.470 39.347 38.460 -0.972 0.000 1.147 419 Y HN 0.436 nan 8.280 nan 0.000 0.456 420 L N 5.987 127.554 121.223 0.573 0.000 2.329 420 L HA 0.635 4.975 4.340 -0.001 0.000 0.279 420 L C -1.178 176.134 176.870 0.737 0.000 1.014 420 L CA -0.989 54.131 54.840 0.466 0.000 0.814 420 L CB 0.666 42.864 42.059 0.231 0.000 1.257 420 L HN 0.527 nan 8.230 nan 0.000 0.424 421 Y N 3.104 123.712 120.300 0.512 0.000 2.605 421 Y HA 0.737 5.286 4.550 -0.001 0.000 0.343 421 Y C -1.764 174.400 175.900 0.439 0.000 1.036 421 Y CA -2.061 56.278 58.100 0.399 0.000 1.065 421 Y CB 1.299 39.938 38.460 0.299 0.000 1.288 421 Y HN 0.520 nan 8.280 nan 0.000 0.481 422 F N 3.872 124.164 119.950 0.570 0.000 2.610 422 F HA 0.457 4.984 4.527 -0.001 0.000 0.355 422 F C -1.934 174.175 175.800 0.516 0.000 1.140 422 F CA -1.810 56.454 58.000 0.439 0.000 1.037 422 F CB 0.730 39.958 39.000 0.380 0.000 1.287 422 F HN 0.560 nan 8.300 nan 0.000 0.457 423 F N 7.955 127.955 119.950 0.084 0.000 2.413 423 F HA 0.307 4.833 4.527 -0.001 0.000 0.359 423 F C 0.163 175.790 175.800 -0.289 0.000 1.122 423 F CA -0.286 57.704 58.000 -0.016 0.000 1.160 423 F CB 0.503 39.578 39.000 0.125 0.000 1.146 423 F HN 0.531 nan 8.300 nan 0.000 0.514 424 N N 3.481 121.763 118.700 -0.696 0.000 2.571 424 N HA 0.091 4.830 4.740 -0.001 0.000 0.298 424 N C -1.318 173.919 175.510 -0.455 0.000 1.671 424 N CA -0.521 52.228 53.050 -0.502 0.000 0.900 424 N CB -0.614 37.765 38.487 -0.180 0.000 1.365 424 N HN 0.638 nan 8.380 nan 0.000 0.493 425 H N 0.325 118.831 119.070 -0.940 0.000 2.504 425 H HA 0.449 5.004 4.556 -0.001 0.000 0.322 425 H C -0.551 174.592 175.328 -0.308 0.000 1.055 425 H CA -0.651 55.054 56.048 -0.571 0.000 1.231 425 H CB 1.099 30.470 29.762 -0.651 0.000 1.417 425 H HN 0.136 nan 8.280 nan 0.000 0.472 426 R N 4.144 124.232 120.500 -0.687 0.000 2.221 426 R HA 0.515 4.855 4.340 -0.001 0.000 0.327 426 R C -0.602 175.436 176.300 -0.437 0.000 1.033 426 R CA -0.603 55.277 56.100 -0.366 0.000 0.887 426 R CB 0.395 30.563 30.300 -0.221 0.000 1.057 426 R HN 0.796 nan 8.270 nan 0.000 0.455 427 A N 3.092 125.945 122.820 0.054 0.000 2.511 427 A HA 0.029 4.348 4.320 -0.001 0.000 0.242 427 A C 1.329 178.996 177.584 0.138 0.000 1.069 427 A CA 0.402 52.644 52.037 0.342 0.000 0.763 427 A CB 0.363 19.710 19.000 0.577 0.000 1.001 427 A HN 1.028 nan 8.150 nan 0.000 0.498 428 S N 1.834 117.645 115.700 0.184 0.000 2.419 428 S HA -0.194 4.276 4.470 -0.001 0.000 0.233 428 S C 0.930 175.518 174.600 -0.021 0.000 1.016 428 S CA 1.311 59.552 58.200 0.069 0.000 0.974 428 S CB -0.491 62.771 63.200 0.103 0.000 0.786 428 S HN 0.931 nan 8.310 nan 0.000 0.492 429 N N 0.728 119.373 118.700 -0.092 0.000 2.279 429 N HA 0.264 5.003 4.740 -0.001 0.000 0.226 429 N C -0.368 175.071 175.510 -0.118 0.000 1.126 429 N CA -0.445 52.503 53.050 -0.169 0.000 0.846 429 N CB -0.532 37.737 38.487 -0.364 0.000 1.050 429 N HN 0.352 nan 8.380 nan 0.000 0.502 430 L N 1.371 122.565 121.223 -0.047 0.000 2.455 430 L HA 0.057 4.396 4.340 -0.001 0.000 0.272 430 L C 1.270 178.096 176.870 -0.073 0.000 1.174 430 L CA -0.055 54.765 54.840 -0.034 0.000 0.869 430 L CB 1.089 43.131 42.059 -0.029 0.000 1.130 430 L HN 0.205 nan 8.230 nan 0.000 0.474 431 V N 1.010 120.844 119.914 -0.133 0.000 3.506 431 V HA 0.129 4.248 4.120 -0.001 0.000 0.263 431 V C 0.555 176.592 176.094 -0.095 0.000 1.203 431 V CA -0.431 61.772 62.300 -0.162 0.000 1.133 431 V CB -1.239 30.388 31.823 -0.326 0.000 0.802 431 V HN 0.652 nan 8.190 nan 0.000 0.459 432 W N 2.094 123.355 121.300 -0.065 0.000 2.184 432 W HA 0.489 5.148 4.660 -0.001 0.000 0.338 432 W C -1.703 174.674 176.519 -0.235 0.000 1.257 432 W CA -2.098 55.160 57.345 -0.146 0.000 1.243 432 W CB -0.048 29.178 29.460 -0.389 0.000 1.122 432 W HN 0.008 nan 8.180 nan 0.000 0.585 433 P HA -0.056 nan 4.420 nan 0.000 0.268 433 P C 0.379 177.558 177.300 -0.202 0.000 1.208 433 P CA 0.235 63.266 63.100 -0.115 0.000 0.777 433 P CB 1.035 32.681 31.700 -0.089 0.000 0.875 434 E N 1.348 121.511 120.200 -0.060 0.000 2.160 434 E HA -0.144 4.206 4.350 -0.001 0.000 0.195 434 E C 1.702 178.301 176.600 -0.002 0.000 0.991 434 E CA 1.746 58.127 56.400 -0.031 0.000 0.810 434 E CB -0.804 28.917 29.700 0.034 0.000 0.742 434 E HN 0.782 nan 8.360 nan 0.000 0.466 435 W N -0.375 120.945 121.300 0.033 0.000 2.387 435 W HA -0.078 4.582 4.660 -0.001 0.000 0.272 435 W C 1.580 178.129 176.519 0.051 0.000 1.224 435 W CA 0.781 58.157 57.345 0.051 0.000 1.210 435 W CB -0.747 28.756 29.460 0.072 0.000 1.125 435 W HN 0.260 nan 8.180 nan 0.000 0.572 436 M N 1.290 120.507 119.600 -0.639 0.000 2.562 436 M HA 0.125 4.605 4.480 -0.001 0.000 0.257 436 M C 1.786 177.918 176.300 -0.280 0.000 1.099 436 M CA 1.510 56.397 55.300 -0.688 0.000 1.099 436 M CB -0.621 31.355 32.600 -1.041 0.000 1.427 436 M HN 0.166 nan 8.290 nan 0.000 0.489 437 G N 0.497 109.202 108.800 -0.159 0.000 2.574 437 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.286 437 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.286 437 G C -0.167 174.679 174.900 -0.089 0.000 1.212 437 G CA -0.194 44.862 45.100 -0.073 0.000 0.979 437 G HN 0.207 nan 8.290 nan 0.000 0.557 438 V N 2.003 121.904 119.914 -0.023 0.000 2.299 438 V HA 0.385 4.504 4.120 -0.001 0.000 0.255 438 V C 1.094 177.255 176.094 0.112 0.000 1.100 438 V CA -0.112 62.216 62.300 0.048 0.000 0.938 438 V CB 0.014 31.848 31.823 0.017 0.000 1.139 438 V HN 0.527 nan 8.190 nan 0.000 0.490 439 I N 2.879 123.481 120.570 0.053 0.000 2.754 439 I HA 0.083 4.252 4.170 -0.001 0.000 0.285 439 I C 0.949 177.285 176.117 0.365 0.000 1.166 439 I CA -0.345 60.989 61.300 0.056 0.000 1.417 439 I CB 0.151 37.952 38.000 -0.331 0.000 1.382 439 I HN 0.539 nan 8.210 nan 0.000 0.588 440 H N 4.185 123.400 119.070 0.241 0.000 3.107 440 H HA 0.155 4.711 4.556 -0.001 0.000 0.301 440 H C 0.977 176.454 175.328 0.248 0.000 0.981 440 H CA 0.870 57.081 56.048 0.272 0.000 1.443 440 H CB 0.156 30.095 29.762 0.295 0.000 1.479 440 H HN 0.744 nan 8.280 nan 0.000 0.564 441 G N 3.700 112.459 108.800 -0.069 0.000 2.195 441 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.246 441 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.246 441 G C 0.683 175.593 174.900 0.016 0.000 0.984 441 G CA 0.409 45.430 45.100 -0.130 0.000 0.633 441 G HN 0.635 nan 8.290 nan 0.000 0.525 442 Y N 1.520 121.968 120.300 0.247 0.000 2.471 442 Y HA 0.215 4.765 4.550 -0.001 0.000 0.286 442 Y C 2.368 178.406 175.900 0.230 0.000 1.188 442 Y CA 1.080 59.374 58.100 0.325 0.000 1.286 442 Y CB 0.403 39.075 38.460 0.354 0.000 1.072 442 Y HN 0.525 nan 8.280 nan 0.000 0.517 443 E N 0.016 120.187 120.200 -0.047 0.000 2.400 443 E HA -0.058 4.292 4.350 -0.001 0.000 0.195 443 E C 1.681 178.202 176.600 -0.132 0.000 1.012 443 E CA 0.590 56.604 56.400 -0.642 0.000 0.875 443 E CB -0.449 28.618 29.700 -1.056 0.000 0.859 443 E HN 0.516 nan 8.360 nan 0.000 0.498 444 I N 2.830 123.428 120.570 0.046 0.000 2.118 444 I HA -0.333 3.837 4.170 -0.001 0.000 0.241 444 I C 2.706 178.872 176.117 0.083 0.000 1.070 444 I CA 2.268 63.642 61.300 0.123 0.000 1.327 444 I CB -0.540 37.566 38.000 0.177 0.000 1.034 444 I HN 0.233 nan 8.210 nan 0.000 0.405 445 E N 0.921 121.122 120.200 0.003 0.000 2.219 445 E HA -0.251 4.099 4.350 -0.001 0.000 0.198 445 E C 2.034 178.490 176.600 -0.241 0.000 0.998 445 E CA 1.584 57.913 56.400 -0.119 0.000 0.818 445 E CB -0.540 29.089 29.700 -0.118 0.000 0.741 445 E HN 0.452 nan 8.360 nan 0.000 0.477 446 F N 1.031 120.892 119.950 -0.148 0.000 2.270 446 F HA -0.021 4.506 4.527 -0.001 0.000 0.295 446 F C 2.386 178.020 175.800 -0.277 0.000 1.087 446 F CA 0.556 58.425 58.000 -0.218 0.000 1.365 446 F CB -0.148 38.756 39.000 -0.161 0.000 1.056 446 F HN -0.133 nan 8.300 nan 0.000 0.506 447 V N -0.947 118.895 119.914 -0.120 0.000 2.427 447 V HA -0.272 3.848 4.120 -0.001 0.000 0.248 447 V C 1.684 177.615 176.094 -0.272 0.000 1.051 447 V CA 1.592 63.685 62.300 -0.344 0.000 1.048 447 V CB -0.647 31.018 31.823 -0.262 0.000 0.666 447 V HN 0.195 nan 8.190 nan 0.000 0.456 448 F N 0.567 120.387 119.950 -0.217 0.000 2.773 448 F HA 0.388 4.915 4.527 -0.001 0.000 0.304 448 F C 1.835 177.548 175.800 -0.145 0.000 1.129 448 F CA 0.534 58.433 58.000 -0.167 0.000 1.378 448 F CB -0.468 38.415 39.000 -0.195 0.000 1.095 448 F HN 0.263 nan 8.300 nan 0.000 0.565 449 G N 0.296 109.016 108.800 -0.133 0.000 2.179 449 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.257 449 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.257 449 G C 1.048 175.663 174.900 -0.475 0.000 1.010 449 G CA 0.421 45.371 45.100 -0.250 0.000 0.736 449 G HN 0.344 nan 8.290 nan 0.000 0.513 450 L N 0.058 120.979 121.223 -0.504 0.000 2.191 450 L HA 0.049 4.388 4.340 -0.001 0.000 0.212 450 L C 0.374 176.858 176.870 -0.644 0.000 1.103 450 L CA 2.366 56.855 54.840 -0.586 0.000 0.769 450 L CB -0.829 41.025 42.059 -0.342 0.000 0.908 450 L HN 0.184 nan 8.230 nan 0.000 0.438 451 P HA -0.129 nan 4.420 nan 0.000 0.225 451 P C 1.538 178.602 177.300 -0.394 0.000 1.148 451 P CA 0.843 63.352 63.100 -0.986 0.000 0.779 451 P CB 0.098 31.108 31.700 -1.151 0.000 0.780 452 L N -1.936 119.058 121.223 -0.381 0.000 2.465 452 L HA -0.035 4.305 4.340 -0.001 0.000 0.224 452 L C 0.698 177.446 176.870 -0.204 0.000 1.145 452 L CA 0.927 55.623 54.840 -0.239 0.000 0.834 452 L CB -0.677 41.257 42.059 -0.208 0.000 0.944 452 L HN -0.223 nan 8.230 nan 0.000 0.451 453 V N -0.334 119.421 119.914 -0.266 0.000 2.353 453 V HA 0.013 4.133 4.120 -0.001 0.000 0.264 453 V C 1.526 177.584 176.094 -0.060 0.000 1.049 453 V CA -0.157 62.041 62.300 -0.171 0.000 0.896 453 V CB 0.793 32.476 31.823 -0.233 0.000 1.025 453 V HN 0.226 nan 8.190 nan 0.000 0.475 454 K N 4.387 124.766 120.400 -0.036 0.000 2.052 454 K HA -0.254 4.065 4.320 -0.001 0.000 0.215 454 K C 1.758 178.351 176.600 -0.013 0.000 1.053 454 K CA 2.548 58.828 56.287 -0.013 0.000 0.934 454 K CB -0.356 32.137 32.500 -0.012 0.000 0.717 454 K HN 0.892 nan 8.250 nan 0.000 0.450 455 E N 0.725 120.912 120.200 -0.022 0.000 2.331 455 E HA -0.034 4.316 4.350 -0.001 0.000 0.199 455 E C 1.866 178.439 176.600 -0.045 0.000 1.008 455 E CA 1.220 57.601 56.400 -0.030 0.000 0.843 455 E CB -0.286 29.397 29.700 -0.028 0.000 0.761 455 E HN 0.490 nan 8.360 nan 0.000 0.507 456 L N 0.397 121.603 121.223 -0.030 0.000 2.552 456 L HA 0.024 4.364 4.340 -0.001 0.000 0.227 456 L C -0.046 176.727 176.870 -0.163 0.000 1.146 456 L CA 0.043 54.852 54.840 -0.053 0.000 0.858 456 L CB -0.391 41.718 42.059 0.082 0.000 0.969 456 L HN 0.173 nan 8.230 nan 0.000 0.451 457 N N -1.507 117.139 118.700 -0.090 0.000 2.776 457 N HA -0.221 4.519 4.740 -0.001 0.000 0.249 457 N C -0.536 174.885 175.510 -0.148 0.000 1.111 457 N CA 0.846 53.823 53.050 -0.122 0.000 0.711 457 N CB -1.807 36.580 38.487 -0.167 0.000 1.065 457 N HN 0.327 nan 8.380 nan 0.000 0.556 458 Y N 0.564 120.834 120.300 -0.049 0.000 2.392 458 Y HA 0.354 4.904 4.550 -0.001 0.000 0.323 458 Y C 1.901 177.802 175.900 0.002 0.000 1.291 458 Y CA -0.066 58.023 58.100 -0.019 0.000 1.345 458 Y CB 0.596 39.016 38.460 -0.067 0.000 1.320 458 Y HN 0.073 nan 8.280 nan 0.000 0.518 459 T N -1.973 112.712 114.554 0.218 0.000 2.788 459 T HA 0.409 4.758 4.350 -0.001 0.000 0.280 459 T C 1.168 175.928 174.700 0.100 0.000 0.984 459 T CA -0.256 61.921 62.100 0.128 0.000 0.972 459 T CB 1.107 70.051 68.868 0.126 0.000 1.039 459 T HN 0.754 nan 8.240 nan 0.000 0.530 460 A N 0.399 123.254 122.820 0.059 0.000 1.930 460 A HA -0.010 4.309 4.320 -0.001 0.000 0.217 460 A C 2.159 179.758 177.584 0.025 0.000 1.175 460 A CA 1.501 53.557 52.037 0.032 0.000 0.627 460 A CB -1.023 17.989 19.000 0.020 0.000 0.815 460 A HN 0.906 nan 8.150 nan 0.000 0.443 461 E N 0.446 120.666 120.200 0.033 0.000 2.077 461 E HA -0.157 4.192 4.350 -0.001 0.000 0.193 461 E C 1.885 178.487 176.600 0.003 0.000 0.989 461 E CA 1.544 57.950 56.400 0.009 0.000 0.800 461 E CB -0.284 29.422 29.700 0.009 0.000 0.746 461 E HN 0.762 nan 8.360 nan 0.000 0.452 462 E N 0.533 120.773 120.200 0.066 0.000 2.072 462 E HA -0.212 4.137 4.350 -0.001 0.000 0.191 462 E C 2.104 178.755 176.600 0.085 0.000 0.985 462 E CA 0.990 57.488 56.400 0.163 0.000 0.801 462 E CB -0.066 29.847 29.700 0.355 0.000 0.750 462 E HN 0.335 nan 8.360 nan 0.000 0.452 463 E N 0.814 121.011 120.200 -0.004 0.000 2.077 463 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 463 E C 2.038 178.607 176.600 -0.051 0.000 0.989 463 E CA 1.019 57.371 56.400 -0.079 0.000 0.800 463 E CB -0.050 29.613 29.700 -0.060 0.000 0.746 463 E HN 0.210 nan 8.360 nan 0.000 0.452 464 A N 0.973 123.777 122.820 -0.027 0.000 1.969 464 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 464 A C 2.093 179.657 177.584 -0.034 0.000 1.169 464 A CA 1.116 53.131 52.037 -0.037 0.000 0.635 464 A CB -0.519 18.462 19.000 -0.032 0.000 0.810 464 A HN 0.379 nan 8.150 nan 0.000 0.445 465 L N -0.277 120.944 121.223 -0.003 0.000 2.027 465 L HA -0.074 4.266 4.340 -0.001 0.000 0.206 465 L C 2.574 179.483 176.870 0.064 0.000 1.074 465 L CA 2.553 57.395 54.840 0.004 0.000 0.745 465 L CB -0.935 41.093 42.059 -0.053 0.000 0.898 465 L HN 0.336 nan 8.230 nan 0.000 0.433 466 S N -0.619 115.171 115.700 0.150 0.000 2.359 466 S HA -0.242 4.228 4.470 -0.001 0.000 0.224 466 S C 2.211 176.774 174.600 -0.061 0.000 1.035 466 S CA 1.572 59.808 58.200 0.059 0.000 1.018 466 S CB -0.240 62.876 63.200 -0.141 0.000 0.876 466 S HN 0.532 nan 8.310 nan 0.000 0.448 467 R N 0.255 120.712 120.500 -0.071 0.000 2.081 467 R HA 0.047 4.386 4.340 -0.001 0.000 0.235 467 R C 2.811 179.060 176.300 -0.084 0.000 1.131 467 R CA 1.362 57.415 56.100 -0.079 0.000 0.960 467 R CB -0.254 29.996 30.300 -0.084 0.000 0.856 467 R HN 0.358 nan 8.270 nan 0.000 0.436 468 R N 0.365 120.794 120.500 -0.118 0.000 2.081 468 R HA -0.075 4.265 4.340 -0.001 0.000 0.235 468 R C 2.266 178.408 176.300 -0.262 0.000 1.131 468 R CA 1.290 57.246 56.100 -0.241 0.000 0.960 468 R CB -0.235 29.928 30.300 -0.228 0.000 0.856 468 R HN 0.250 nan 8.270 nan 0.000 0.436 469 I N 0.406 120.913 120.570 -0.105 0.000 2.202 469 I HA -0.285 3.884 4.170 -0.001 0.000 0.242 469 I C 2.487 178.530 176.117 -0.123 0.000 1.091 469 I CA 1.243 62.489 61.300 -0.091 0.000 1.368 469 I CB -0.161 37.637 38.000 -0.337 0.000 1.058 469 I HN 0.178 nan 8.210 nan 0.000 0.410 470 M N -0.495 119.011 119.600 -0.157 0.000 2.149 470 M HA -0.278 4.201 4.480 -0.001 0.000 0.261 470 M C 2.398 178.743 176.300 0.076 0.000 1.064 470 M CA 1.828 57.068 55.300 -0.100 0.000 1.102 470 M CB -0.711 31.833 32.600 -0.094 0.000 1.369 470 M HN 0.286 nan 8.290 nan 0.000 0.408 471 H N -0.660 118.405 119.070 -0.009 0.000 2.428 471 H HA -0.110 4.445 4.556 -0.001 0.000 0.296 471 H C 1.538 176.982 175.328 0.193 0.000 1.062 471 H CA 1.679 57.745 56.048 0.030 0.000 1.350 471 H CB 0.079 29.806 29.762 -0.059 0.000 1.403 471 H HN 0.260 nan 8.280 nan 0.000 0.533 472 Y N -0.820 119.622 120.300 0.237 0.000 2.163 472 Y HA -0.232 4.318 4.550 -0.001 0.000 0.288 472 Y C 2.454 178.569 175.900 0.359 0.000 1.136 472 Y CA 1.056 59.356 58.100 0.333 0.000 1.147 472 Y CB -0.999 37.863 38.460 0.670 0.000 0.987 472 Y HN 0.358 nan 8.280 nan 0.000 0.509 473 W N -0.594 120.811 121.300 0.177 0.000 2.355 473 W HA -0.223 4.436 4.660 -0.001 0.000 0.309 473 W C 2.549 179.065 176.519 -0.005 0.000 1.206 473 W CA 1.039 58.418 57.345 0.057 0.000 1.284 473 W CB -0.424 29.014 29.460 -0.038 0.000 1.145 473 W HN 0.048 nan 8.180 nan 0.000 0.502 474 A N -0.169 122.755 122.820 0.172 0.000 1.930 474 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 474 A C 1.800 179.349 177.584 -0.058 0.000 1.175 474 A CA 2.059 54.103 52.037 0.011 0.000 0.627 474 A CB -1.102 17.887 19.000 -0.018 0.000 0.815 474 A HN 0.182 nan 8.150 nan 0.000 0.443 475 T N -0.844 113.638 114.554 -0.121 0.000 2.821 475 T HA -0.074 4.276 4.350 -0.001 0.000 0.267 475 T C 1.567 176.217 174.700 -0.084 0.000 1.046 475 T CA 1.417 63.423 62.100 -0.155 0.000 1.139 475 T CB -0.341 68.392 68.868 -0.225 0.000 0.871 475 T HN 0.524 nan 8.240 nan 0.000 0.454 476 F N 2.319 122.171 119.950 -0.164 0.000 2.146 476 F HA 0.123 4.650 4.527 -0.001 0.000 0.298 476 F C 2.385 178.099 175.800 -0.143 0.000 1.096 476 F CA 0.845 58.714 58.000 -0.218 0.000 1.275 476 F CB -0.600 38.206 39.000 -0.322 0.000 1.008 476 F HN 0.125 nan 8.300 nan 0.000 0.480 477 A N 0.395 123.110 122.820 -0.176 0.000 1.933 477 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 477 A C 2.330 179.767 177.584 -0.244 0.000 1.175 477 A CA 1.918 53.815 52.037 -0.234 0.000 0.628 477 A CB -0.816 18.133 19.000 -0.084 0.000 0.814 477 A HN 0.512 nan 8.150 nan 0.000 0.444 478 K N -0.877 119.414 120.400 -0.181 0.000 2.116 478 K HA -0.091 4.229 4.320 -0.001 0.000 0.203 478 K C 1.798 178.302 176.600 -0.159 0.000 1.052 478 K CA 1.782 57.987 56.287 -0.137 0.000 0.952 478 K CB -0.064 32.383 32.500 -0.090 0.000 0.729 478 K HN 0.592 nan 8.250 nan 0.000 0.446 479 T N -4.724 109.710 114.554 -0.201 0.000 2.975 479 T HA 0.254 4.604 4.350 -0.001 0.000 0.257 479 T C 1.135 175.700 174.700 -0.224 0.000 1.003 479 T CA 0.472 62.471 62.100 -0.168 0.000 0.932 479 T CB 0.875 69.682 68.868 -0.102 0.000 1.087 479 T HN 0.320 nan 8.240 nan 0.000 0.512 480 G N 1.440 109.969 108.800 -0.452 0.000 2.157 480 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.248 480 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.248 480 G C -0.186 174.649 174.900 -0.109 0.000 0.979 480 G CA 0.028 44.833 45.100 -0.493 0.000 0.650 480 G HN 0.830 nan 8.290 nan 0.000 0.529 481 N N -0.291 118.331 118.700 -0.130 0.000 2.425 481 N HA 0.437 5.176 4.740 -0.001 0.000 0.289 481 N C -1.769 173.597 175.510 -0.239 0.000 1.074 481 N CA -1.455 51.475 53.050 -0.200 0.000 0.905 481 N CB 2.524 40.975 38.487 -0.059 0.000 1.586 481 N HN -0.059 nan 8.380 nan 0.000 0.490 482 P HA -0.017 nan 4.420 nan 0.000 0.233 482 P C -0.482 176.861 177.300 0.072 0.000 1.167 482 P CA 0.481 63.459 63.100 -0.203 0.000 0.770 482 P CB 0.366 31.729 31.700 -0.561 0.000 0.837 483 N N 1.758 120.462 118.700 0.006 0.000 2.488 483 N HA 0.077 4.816 4.740 -0.001 0.000 0.274 483 N C 0.304 175.886 175.510 0.120 0.000 1.111 483 N CA -0.043 53.103 53.050 0.160 0.000 0.974 483 N CB 0.887 39.465 38.487 0.151 0.000 1.089 483 N HN 0.077 nan 8.380 nan 0.000 0.465 484 E N 2.423 122.723 120.200 0.167 0.000 2.351 484 E HA 0.115 4.464 4.350 -0.001 0.000 0.266 484 E C -2.021 174.641 176.600 0.104 0.000 1.031 484 E CA -1.230 55.254 56.400 0.140 0.000 0.911 484 E CB 0.296 30.107 29.700 0.185 0.000 0.986 484 E HN 0.257 nan 8.360 nan 0.000 0.446 485 P HA -0.028 nan 4.420 nan 0.000 0.265 485 P C -0.148 177.190 177.300 0.064 0.000 1.193 485 P CA 1.026 64.164 63.100 0.063 0.000 0.765 485 P CB -0.023 31.705 31.700 0.045 0.000 0.823 486 H N -0.583 118.524 119.070 0.062 0.000 2.496 486 H HA -0.070 4.485 4.556 -0.001 0.000 0.323 486 H C 0.583 175.947 175.328 0.059 0.000 1.054 486 H CA 0.449 56.531 56.048 0.056 0.000 1.095 486 H CB -2.063 27.725 29.762 0.043 0.000 1.595 486 H HN 0.609 nan 8.280 nan 0.000 0.388 492 W N 7.493 128.877 121.300 0.140 0.000 2.546 492 W HA 0.295 4.955 4.660 -0.001 0.000 0.323 492 W C -2.408 174.248 176.519 0.228 0.000 1.272 492 W CA -2.054 55.365 57.345 0.123 0.000 1.404 492 W CB -0.004 29.432 29.460 -0.039 0.000 1.411 492 W HN 0.477 nan 8.180 nan 0.000 0.480 493 P HA 0.008 nan 4.420 nan 0.000 0.274 493 P C -0.517 177.002 177.300 0.365 0.000 1.231 493 P CA -0.465 62.868 63.100 0.388 0.000 0.790 493 P CB 1.475 33.314 31.700 0.232 0.000 0.951 494 L N 3.102 124.398 121.223 0.121 0.000 2.416 494 L HA 0.247 4.586 4.340 -0.001 0.000 0.272 494 L C -0.137 176.719 176.870 -0.024 0.000 1.161 494 L CA -0.325 54.388 54.840 -0.211 0.000 0.845 494 L CB -0.622 41.327 42.059 -0.183 0.000 1.119 494 L HN 0.218 nan 8.230 nan 0.000 0.464 495 F N 4.454 124.303 119.950 -0.168 0.000 2.438 495 F HA 0.510 5.036 4.527 -0.001 0.000 0.356 495 F C 0.234 176.008 175.800 -0.043 0.000 1.099 495 F CA -0.143 57.848 58.000 -0.014 0.000 1.185 495 F CB 0.587 39.606 39.000 0.033 0.000 1.115 495 F HN 0.659 nan 8.300 nan 0.000 0.526 496 T N 1.094 115.339 114.554 -0.515 0.000 2.924 496 T HA 0.296 4.646 4.350 -0.001 0.000 0.291 496 T C 0.893 175.302 174.700 -0.485 0.000 1.045 496 T CA -0.299 61.614 62.100 -0.313 0.000 1.015 496 T CB 1.438 70.195 68.868 -0.185 0.000 1.103 496 T HN 0.543 nan 8.240 nan 0.000 0.496 497 T N 0.299 114.743 114.554 -0.183 0.000 2.699 497 T HA -0.171 4.179 4.350 -0.001 0.000 0.268 497 T C 2.017 176.624 174.700 -0.155 0.000 1.036 497 T CA 1.698 63.731 62.100 -0.111 0.000 1.147 497 T CB -0.357 68.479 68.868 -0.054 0.000 0.862 497 T HN 0.585 nan 8.240 nan 0.000 0.446 498 K N 1.097 121.409 120.400 -0.147 0.000 1.967 498 K HA -0.068 4.251 4.320 -0.001 0.000 0.212 498 K C 2.460 178.979 176.600 -0.135 0.000 1.044 498 K CA 1.304 57.523 56.287 -0.113 0.000 0.942 498 K CB -0.583 31.866 32.500 -0.085 0.000 0.726 498 K HN 0.533 nan 8.250 nan 0.000 0.440 499 E N 0.263 120.361 120.200 -0.171 0.000 2.112 499 E HA -0.055 4.294 4.350 -0.001 0.000 0.190 499 E C 0.558 177.032 176.600 -0.210 0.000 0.979 499 E CA 0.675 56.986 56.400 -0.149 0.000 0.814 499 E CB -0.111 29.520 29.700 -0.115 0.000 0.762 499 E HN 0.621 nan 8.360 nan 0.000 0.460 500 Q N 0.642 120.146 119.800 -0.493 0.000 2.475 500 Q HA -0.185 4.154 4.340 -0.001 0.000 0.280 500 Q C -0.625 175.310 176.000 -0.108 0.000 1.234 500 Q CA 0.640 55.990 55.803 -0.754 0.000 0.873 500 Q CB -1.700 26.859 28.738 -0.298 0.000 1.256 500 Q HN 0.244 nan 8.270 nan 0.000 0.475 501 K N 0.617 120.991 120.400 -0.044 0.000 2.258 501 K HA 0.539 4.859 4.320 -0.001 0.000 0.264 501 K C 0.079 176.977 176.600 0.496 0.000 1.007 501 K CA 0.255 56.649 56.287 0.180 0.000 0.941 501 K CB 0.411 32.960 32.500 0.081 0.000 0.966 501 K HN 0.210 nan 8.250 nan 0.000 0.480 502 F N -0.404 119.710 119.950 0.273 0.000 2.711 502 F HA 0.625 5.152 4.527 -0.001 0.000 0.313 502 F C -1.055 174.860 175.800 0.191 0.000 1.141 502 F CA -1.534 56.662 58.000 0.326 0.000 0.941 502 F CB 0.764 39.969 39.000 0.342 0.000 1.349 502 F HN 0.437 nan 8.300 nan 0.000 0.464 503 I N -0.978 119.739 120.570 0.246 0.000 3.002 503 I HA 0.657 4.827 4.170 -0.001 0.000 0.310 503 I C -1.256 175.021 176.117 0.268 0.000 1.087 503 I CA -0.879 60.413 61.300 -0.014 0.000 1.017 503 I CB 2.158 39.928 38.000 -0.384 0.000 1.226 503 I HN 0.456 nan 8.210 nan 0.000 0.443 504 D N 3.455 123.996 120.400 0.235 0.000 2.253 504 D HA 0.547 5.187 4.640 -0.001 0.000 0.249 504 D C -0.751 175.646 176.300 0.161 0.000 1.049 504 D CA 0.073 54.282 54.000 0.347 0.000 0.929 504 D CB 2.336 43.335 40.800 0.332 0.000 1.176 504 D HN 0.436 nan 8.370 nan 0.000 0.437 505 L N 2.607 123.923 121.223 0.154 0.000 2.377 505 L HA 0.311 4.650 4.340 -0.001 0.000 0.270 505 L C -0.431 176.378 176.870 -0.101 0.000 0.991 505 L CA -0.547 54.335 54.840 0.070 0.000 0.851 505 L CB 0.681 42.849 42.059 0.182 0.000 1.218 505 L HN 0.460 nan 8.230 nan 0.000 0.420 506 N N -0.753 117.889 118.700 -0.096 0.000 3.378 506 N HA 0.184 4.923 4.740 -0.001 0.000 0.294 506 N C 0.244 175.667 175.510 -0.145 0.000 1.544 506 N CA -0.248 52.695 53.050 -0.177 0.000 0.872 506 N CB 0.559 38.998 38.487 -0.080 0.000 1.670 506 N HN 0.128 nan 8.380 nan 0.000 0.551 507 T N -3.588 110.870 114.554 -0.160 0.000 3.129 507 T HA 0.230 4.579 4.350 -0.001 0.000 0.251 507 T C 0.016 174.697 174.700 -0.031 0.000 1.117 507 T CA 0.272 62.302 62.100 -0.117 0.000 1.034 507 T CB -0.439 68.341 68.868 -0.146 0.000 0.968 507 T HN 0.493 nan 8.240 nan 0.000 0.526 508 E N 1.887 122.086 120.200 -0.002 0.000 2.322 508 E HA 0.371 4.720 4.350 -0.001 0.000 0.257 508 E C -2.616 173.995 176.600 0.018 0.000 1.155 508 E CA -2.507 53.904 56.400 0.019 0.000 0.936 508 E CB 0.228 29.952 29.700 0.039 0.000 1.130 508 E HN 0.163 nan 8.360 nan 0.000 0.465 509 P HA -0.026 nan 4.420 nan 0.000 0.271 509 P C -0.416 176.897 177.300 0.022 0.000 1.220 509 P CA 0.157 63.269 63.100 0.021 0.000 0.768 509 P CB 0.382 32.093 31.700 0.018 0.000 0.848 510 M N 3.056 122.674 119.600 0.029 0.000 2.226 510 M HA -0.050 4.429 4.480 -0.001 0.000 0.352 510 M C -0.588 175.696 176.300 -0.027 0.000 1.226 510 M CA 1.226 56.537 55.300 0.019 0.000 0.943 510 M CB 0.096 32.724 32.600 0.047 0.000 1.805 510 M HN 0.055 nan 8.290 nan 0.000 0.465 511 K N 3.948 124.302 120.400 -0.076 0.000 2.427 511 K HA 0.613 4.933 4.320 -0.001 0.000 0.252 511 K C -1.209 175.137 176.600 -0.423 0.000 0.931 511 K CA -0.869 55.283 56.287 -0.225 0.000 0.793 511 K CB 2.235 34.603 32.500 -0.220 0.000 1.211 511 K HN 0.638 nan 8.250 nan 0.000 0.426 512 V N 3.782 123.421 119.914 -0.459 0.000 2.481 512 V HA 0.455 4.574 4.120 -0.001 0.000 0.286 512 V C 0.036 175.682 176.094 -0.747 0.000 1.042 512 V CA -0.443 61.586 62.300 -0.451 0.000 0.928 512 V CB 0.891 32.591 31.823 -0.204 0.000 0.986 512 V HN 0.802 nan 8.190 nan 0.000 0.462 513 H N 3.073 121.793 119.070 -0.582 0.000 2.906 513 H HA 0.657 5.212 4.556 -0.001 0.000 0.337 513 H C -1.037 173.958 175.328 -0.554 0.000 1.257 513 H CA -0.815 54.824 56.048 -0.681 0.000 1.192 513 H CB 2.248 31.346 29.762 -1.105 0.000 1.912 513 H HN 0.567 nan 8.280 nan 0.000 0.573 514 Q N 0.152 119.933 119.800 -0.031 0.000 2.421 514 Q HA 0.360 4.700 4.340 -0.001 0.000 0.280 514 Q C -0.658 175.584 176.000 0.404 0.000 1.085 514 Q CA -0.927 55.004 55.803 0.212 0.000 0.807 514 Q CB 2.933 31.723 28.738 0.087 0.000 1.405 514 Q HN 0.469 nan 8.270 nan 0.000 0.419 515 R N 0.936 121.665 120.500 0.383 0.000 3.127 515 R HA -0.210 4.130 4.340 -0.001 0.000 0.247 515 R C -0.516 175.936 176.300 0.254 0.000 0.896 515 R CA -0.120 56.149 56.100 0.280 0.000 0.624 515 R CB -1.502 28.901 30.300 0.171 0.000 1.154 515 R HN 0.459 nan 8.270 nan 0.000 0.474 516 L N 2.145 123.467 121.223 0.166 0.000 2.737 516 L HA -0.092 4.248 4.340 -0.001 0.000 0.275 516 L C 0.919 177.763 176.870 -0.044 0.000 1.179 516 L CA 1.041 55.767 54.840 -0.189 0.000 0.970 516 L CB -0.284 41.344 42.059 -0.718 0.000 1.268 516 L HN 0.453 nan 8.230 nan 0.000 0.485 517 R N 2.154 122.649 120.500 -0.010 0.000 3.502 517 R HA -0.225 4.115 4.340 -0.001 0.000 0.266 517 R C 1.284 177.651 176.300 0.111 0.000 1.077 517 R CA 0.665 56.799 56.100 0.057 0.000 0.718 517 R CB -1.935 28.414 30.300 0.081 0.000 1.120 517 R HN 0.669 nan 8.270 nan 0.000 0.457 518 V N 0.381 120.360 119.914 0.108 0.000 2.392 518 V HA -0.343 3.777 4.120 -0.001 0.000 0.249 518 V C 2.347 178.517 176.094 0.128 0.000 1.059 518 V CA 2.632 65.008 62.300 0.127 0.000 1.051 518 V CB -0.080 31.813 31.823 0.118 0.000 0.658 518 V HN 0.467 nan 8.190 nan 0.000 0.455 519 Q N -0.778 119.081 119.800 0.098 0.000 2.061 519 Q HA -0.201 4.138 4.340 -0.001 0.000 0.204 519 Q C 2.068 178.134 176.000 0.111 0.000 0.984 519 Q CA 2.414 58.261 55.803 0.074 0.000 0.846 519 Q CB -0.287 28.467 28.738 0.026 0.000 0.902 519 Q HN 0.545 nan 8.270 nan 0.000 0.421 520 M N -1.324 118.372 119.600 0.159 0.000 2.288 520 M HA -0.066 4.413 4.480 -0.001 0.000 0.266 520 M C 2.269 178.862 176.300 0.489 0.000 1.072 520 M CA 0.703 56.178 55.300 0.291 0.000 1.132 520 M CB -0.998 31.829 32.600 0.378 0.000 1.386 520 M HN 0.310 nan 8.290 nan 0.000 0.432 521 c N -0.293 118.537 118.600 0.382 0.000 2.446 521 c HA -0.014 4.555 4.570 -0.001 0.000 0.279 521 c C 2.920 177.199 174.090 0.315 0.000 1.366 521 c CA 0.219 56.781 56.329 0.389 0.000 1.763 521 c CB -0.830 41.841 42.510 0.268 0.000 1.929 521 c HN 0.304 nan 8.230 nan 0.000 0.509 522 V N 0.655 120.718 119.914 0.248 0.000 2.427 522 V HA -0.216 3.903 4.120 -0.001 0.000 0.248 522 V C 2.039 178.262 176.094 0.216 0.000 1.051 522 V CA 2.170 64.589 62.300 0.198 0.000 1.048 522 V CB -0.756 31.156 31.823 0.149 0.000 0.666 522 V HN 0.588 nan 8.190 nan 0.000 0.456 523 F N -0.052 119.950 119.950 0.086 0.000 2.075 523 F HA -0.181 4.346 4.527 -0.001 0.000 0.297 523 F C 1.982 177.785 175.800 0.004 0.000 1.113 523 F CA 1.719 59.725 58.000 0.010 0.000 1.218 523 F CB -0.438 38.456 39.000 -0.176 0.000 0.984 523 F HN 0.168 nan 8.300 nan 0.000 0.472 524 W N 0.677 122.060 121.300 0.138 0.000 2.436 524 W HA -0.103 4.556 4.660 -0.001 0.000 0.284 524 W C 2.062 178.549 176.519 -0.054 0.000 1.225 524 W CA 0.918 58.262 57.345 -0.001 0.000 1.271 524 W CB -0.486 29.104 29.460 0.218 0.000 1.114 524 W HN -0.005 nan 8.180 nan 0.000 0.559 525 N N -0.752 118.069 118.700 0.203 0.000 2.405 525 N HA -0.016 4.724 4.740 -0.001 0.000 0.175 525 N C 1.360 176.871 175.510 0.001 0.000 1.051 525 N CA 0.920 54.006 53.050 0.061 0.000 0.899 525 N CB -0.065 38.478 38.487 0.092 0.000 1.000 525 N HN 0.375 nan 8.380 nan 0.000 0.451 526 Q N -1.216 118.606 119.800 0.036 0.000 2.619 526 Q HA 0.208 4.548 4.340 -0.001 0.000 0.230 526 Q C 1.189 177.189 176.000 0.000 0.000 0.871 526 Q CA -0.095 55.728 55.803 0.034 0.000 0.934 526 Q CB 0.107 28.902 28.738 0.094 0.000 1.183 526 Q HN 0.114 nan 8.270 nan 0.000 0.631 527 F N 1.762 121.626 119.950 -0.143 0.000 2.074 527 F HA -0.135 4.392 4.527 -0.001 0.000 0.293 527 F C 1.952 177.570 175.800 -0.302 0.000 1.116 527 F CA 0.904 58.791 58.000 -0.189 0.000 1.212 527 F CB -0.259 38.652 39.000 -0.148 0.000 0.998 527 F HN 0.029 nan 8.300 nan 0.000 0.471 528 L N 1.230 122.062 121.223 -0.651 0.000 2.012 528 L HA -0.107 4.232 4.340 -0.001 0.000 0.210 528 L C -0.851 175.754 176.870 -0.442 0.000 1.073 528 L CA 2.234 56.646 54.840 -0.712 0.000 0.748 528 L CB -1.934 39.616 42.059 -0.848 0.000 0.891 528 L HN 0.022 nan 8.230 nan 0.000 0.431 529 P HA -0.208 nan 4.420 nan 0.000 0.215 529 P C 1.825 179.002 177.300 -0.205 0.000 1.153 529 P CA 1.574 64.573 63.100 -0.168 0.000 0.853 529 P CB -0.086 31.546 31.700 -0.114 0.000 0.788 530 K N -0.069 120.174 120.400 -0.261 0.000 2.026 530 K HA -0.122 4.198 4.320 -0.001 0.000 0.208 530 K C 2.110 178.523 176.600 -0.312 0.000 1.048 530 K CA 1.262 57.401 56.287 -0.248 0.000 0.929 530 K CB -1.488 30.870 32.500 -0.237 0.000 0.713 530 K HN 0.154 nan 8.250 nan 0.000 0.439 531 L N 0.102 121.017 121.223 -0.514 0.000 2.046 531 L HA -0.033 4.307 4.340 -0.001 0.000 0.208 531 L C 2.383 179.098 176.870 -0.258 0.000 1.077 531 L CA 1.706 56.275 54.840 -0.452 0.000 0.747 531 L CB -0.212 41.446 42.059 -0.669 0.000 0.896 531 L HN 0.273 nan 8.230 nan 0.000 0.432 532 L N 0.354 121.436 121.223 -0.234 0.000 2.201 532 L HA -0.166 4.174 4.340 -0.001 0.000 0.212 532 L C 2.844 179.652 176.870 -0.103 0.000 1.105 532 L CA 1.345 56.097 54.840 -0.146 0.000 0.775 532 L CB -1.305 40.685 42.059 -0.116 0.000 0.913 532 L HN 0.529 nan 8.230 nan 0.000 0.440 533 N N 0.128 118.762 118.700 -0.110 0.000 2.354 533 N HA 0.053 4.793 4.740 -0.001 0.000 0.179 533 N C 1.985 177.453 175.510 -0.070 0.000 1.021 533 N CA 1.111 54.115 53.050 -0.076 0.000 0.887 533 N CB -0.312 38.132 38.487 -0.072 0.000 0.974 533 N HN 0.387 nan 8.380 nan 0.000 0.437 534 A N 0.194 122.960 122.820 -0.091 0.000 1.970 534 A HA 0.194 4.513 4.320 -0.001 0.000 0.216 534 A C 1.878 179.427 177.584 -0.058 0.000 1.170 534 A CA 1.706 53.700 52.037 -0.071 0.000 0.645 534 A CB -0.693 18.258 19.000 -0.082 0.000 0.816 534 A HN 0.687 nan 8.150 nan 0.000 0.447 535 T N 0.000 114.512 114.554 -0.070 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.068 62.100 -0.054 0.000 1.349 535 T CB 0.000 68.831 68.868 -0.061 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658