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 2vt6_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 EPXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN ATA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.644 174.600 0.074 0.000 1.055 4 S CA 0.000 58.229 58.200 0.049 0.000 1.107 4 S CB 0.000 63.232 63.200 0.053 0.000 0.593 5 E N 1.096 121.347 120.200 0.084 0.000 2.216 5 E HA 0.084 4.434 4.350 0.000 0.000 0.192 5 E C 1.145 177.871 176.600 0.210 0.000 0.988 5 E CA 0.806 57.281 56.400 0.126 0.000 0.834 5 E CB -0.043 29.718 29.700 0.103 0.000 0.772 5 E HN 0.661 nan 8.360 nan 0.000 0.479 6 L N 0.972 122.289 121.223 0.156 0.000 2.529 6 L HA 0.160 4.501 4.340 0.000 0.000 0.223 6 L C 0.742 177.803 176.870 0.318 0.000 1.113 6 L CA -0.159 54.784 54.840 0.172 0.000 0.861 6 L CB 0.332 42.400 42.059 0.015 0.000 1.012 6 L HN 0.214 nan 8.230 nan 0.000 0.461 7 L N 1.927 123.283 121.223 0.222 0.000 2.264 7 L HA 0.460 4.801 4.340 0.000 0.000 0.287 7 L C -0.865 176.076 176.870 0.118 0.000 1.039 7 L CA 0.021 54.972 54.840 0.185 0.000 0.829 7 L CB 1.354 43.477 42.059 0.107 0.000 1.211 7 L HN -0.249 nan 8.230 nan 0.000 0.427 8 V N 5.252 125.225 119.914 0.099 0.000 2.604 8 V HA 0.437 4.558 4.120 0.000 0.000 0.305 8 V C 0.063 176.084 176.094 -0.122 0.000 1.043 8 V CA -0.934 61.279 62.300 -0.145 0.000 0.888 8 V CB 2.139 33.628 31.823 -0.557 0.000 0.995 8 V HN 0.692 nan 8.190 nan 0.000 0.429 9 N N 2.781 121.332 118.700 -0.249 0.000 2.457 9 N HA 0.362 5.102 4.740 0.000 0.000 0.250 9 N C -0.203 175.031 175.510 -0.461 0.000 0.982 9 N CA -0.075 52.812 53.050 -0.271 0.000 0.941 9 N CB 1.776 40.084 38.487 -0.299 0.000 1.120 9 N HN 0.927 nan 8.380 nan 0.000 0.505 10 T N -0.084 114.335 114.554 -0.225 0.000 2.936 10 T HA 0.350 4.700 4.350 0.000 0.000 0.282 10 T C 1.152 175.720 174.700 -0.219 0.000 1.003 10 T CA -0.575 61.439 62.100 -0.144 0.000 1.005 10 T CB 1.431 70.440 68.868 0.236 0.000 1.097 10 T HN 0.321 nan 8.240 nan 0.000 0.532 11 K N 0.422 120.757 120.400 -0.108 0.000 2.519 11 K HA -0.012 4.308 4.320 0.000 0.000 0.196 11 K C 1.583 178.086 176.600 -0.161 0.000 1.041 11 K CA 1.083 57.301 56.287 -0.115 0.000 0.954 11 K CB -0.110 32.375 32.500 -0.026 0.000 0.774 11 K HN 0.709 nan 8.250 nan 0.000 0.480 12 S N -1.221 114.347 115.700 -0.220 0.000 2.603 12 S HA 0.334 4.804 4.470 0.000 0.000 0.232 12 S C 0.552 174.463 174.600 -1.149 0.000 1.016 12 S CA -0.179 57.763 58.200 -0.430 0.000 0.976 12 S CB 1.250 64.369 63.200 -0.136 0.000 0.921 12 S HN 0.314 nan 8.310 nan 0.000 0.516 13 G N 0.988 109.255 108.800 -0.888 0.000 2.369 13 G HA2 0.209 4.170 3.960 0.000 0.000 0.307 13 G HA3 0.209 4.170 3.960 0.000 0.000 0.307 13 G C -1.979 172.800 174.900 -0.202 0.000 1.327 13 G CA -1.206 43.295 45.100 -0.998 0.000 0.963 13 G HN 0.207 nan 8.290 nan 0.000 0.590 14 K N -0.877 119.610 120.400 0.144 0.000 2.144 14 K HA 0.690 5.010 4.320 0.000 0.000 0.270 14 K C -0.656 176.323 176.600 0.632 0.000 1.005 14 K CA -0.707 55.768 56.287 0.314 0.000 0.932 14 K CB 2.347 34.978 32.500 0.218 0.000 1.021 14 K HN 0.522 nan 8.250 nan 0.000 0.462 15 V N 3.143 123.347 119.914 0.484 0.000 2.841 15 V HA 0.447 4.567 4.120 0.000 0.000 0.310 15 V C -1.659 174.709 176.094 0.457 0.000 1.090 15 V CA -0.931 61.697 62.300 0.545 0.000 0.930 15 V CB 2.070 34.244 31.823 0.584 0.000 1.014 15 V HN 0.756 nan 8.190 nan 0.000 0.425 16 M N 5.608 125.457 119.600 0.415 0.000 2.125 16 M HA 0.775 5.255 4.480 0.000 0.000 0.321 16 M C 0.095 176.544 176.300 0.248 0.000 0.983 16 M CA 0.105 55.589 55.300 0.307 0.000 0.934 16 M CB 1.012 33.718 32.600 0.177 0.000 1.542 16 M HN 0.731 nan 8.290 nan 0.000 0.424 17 G N 1.584 110.471 108.800 0.145 0.000 2.509 17 G HA2 0.616 4.576 3.960 0.000 0.000 0.269 17 G HA3 0.616 4.576 3.960 0.000 0.000 0.269 17 G C -1.035 173.696 174.900 -0.281 0.000 1.416 17 G CA -0.283 44.602 45.100 -0.359 0.000 1.052 17 G HN 0.698 nan 8.290 nan 0.000 0.542 18 T N -1.532 112.793 114.554 -0.381 0.000 2.993 18 T HA 0.472 4.823 4.350 0.000 0.000 0.312 18 T C -0.742 173.841 174.700 -0.196 0.000 1.115 18 T CA -0.676 61.293 62.100 -0.219 0.000 1.027 18 T CB 1.413 70.180 68.868 -0.167 0.000 1.116 18 T HN 0.555 nan 8.240 nan 0.000 0.464 19 R N 3.200 123.631 120.500 -0.115 0.000 2.267 19 R HA 0.593 4.934 4.340 0.000 0.000 0.319 19 R C -0.140 176.155 176.300 -0.007 0.000 1.067 19 R CA -0.395 55.671 56.100 -0.057 0.000 0.936 19 R CB 0.259 30.518 30.300 -0.067 0.000 1.006 19 R HN 0.577 nan 8.270 nan 0.000 0.452 20 V N 2.444 122.385 119.914 0.045 0.000 2.864 20 V HA 0.704 4.825 4.120 0.000 0.000 0.314 20 V C -2.680 173.471 176.094 0.096 0.000 1.073 20 V CA -3.063 59.274 62.300 0.061 0.000 0.956 20 V CB 1.925 33.763 31.823 0.025 0.000 1.023 20 V HN 0.684 nan 8.190 nan 0.000 0.435 21 P HA 0.465 nan 4.420 nan 0.000 0.275 21 P C -0.963 176.207 177.300 -0.217 0.000 1.228 21 P CA -0.123 62.887 63.100 -0.151 0.000 0.786 21 P CB 1.313 32.947 31.700 -0.110 0.000 0.927 22 V N 5.683 125.391 119.914 -0.345 0.000 2.735 22 V HA 0.210 4.330 4.120 0.000 0.000 0.276 22 V C -0.811 174.998 176.094 -0.475 0.000 1.083 22 V CA -0.671 61.396 62.300 -0.388 0.000 0.923 22 V CB -0.093 31.460 31.823 -0.450 0.000 1.053 22 V HN 0.473 nan 8.190 nan 0.000 0.471 23 L N 6.194 127.271 121.223 -0.243 0.000 3.755 23 L HA -0.170 4.170 4.340 0.000 0.000 0.587 23 L C 0.879 177.606 176.870 -0.239 0.000 1.235 23 L CA 0.863 55.584 54.840 -0.199 0.000 0.876 23 L CB -1.599 40.347 42.059 -0.189 0.000 1.431 23 L HN 1.663 nan 8.230 nan 0.000 0.840 24 S N -1.472 114.106 115.700 -0.203 0.000 3.550 24 S HA -0.160 4.310 4.470 0.000 0.000 0.372 24 S C 0.097 174.559 174.600 -0.230 0.000 0.966 24 S CA 1.175 59.268 58.200 -0.179 0.000 1.229 24 S CB -0.973 62.175 63.200 -0.086 0.000 0.917 24 S HN 1.372 nan 8.310 nan 0.000 0.496 25 S N -0.292 115.147 115.700 -0.435 0.000 2.655 25 S HA 0.720 5.190 4.470 0.000 0.000 0.273 25 S C -1.783 172.366 174.600 -0.751 0.000 1.177 25 S CA -0.391 57.559 58.200 -0.416 0.000 0.918 25 S CB 0.579 63.675 63.200 -0.174 0.000 1.217 25 S HN 1.014 nan 8.310 nan 0.000 0.492 26 H N 0.012 119.058 119.070 -0.040 0.000 3.008 26 H HA 0.826 5.382 4.556 0.000 0.000 0.354 26 H C -0.517 174.849 175.328 0.064 0.000 1.252 26 H CA -0.258 55.779 56.048 -0.019 0.000 1.117 26 H CB 1.122 30.882 29.762 -0.003 0.000 1.857 26 H HN 0.795 nan 8.280 nan 0.000 0.547 27 I N -2.501 118.191 120.570 0.203 0.000 3.279 27 I HA 0.698 4.868 4.170 0.000 0.000 0.315 27 I C -1.035 175.169 176.117 0.146 0.000 1.225 27 I CA -1.083 60.342 61.300 0.209 0.000 0.947 27 I CB 2.533 40.690 38.000 0.262 0.000 1.293 27 I HN 0.393 nan 8.210 nan 0.000 0.468 28 S N 1.549 117.335 115.700 0.142 0.000 2.525 28 S HA 0.795 5.266 4.470 0.000 0.000 0.278 28 S C -0.254 174.298 174.600 -0.080 0.000 1.234 28 S CA -0.476 57.719 58.200 -0.008 0.000 1.058 28 S CB 1.363 64.604 63.200 0.068 0.000 0.983 28 S HN 0.838 nan 8.310 nan 0.000 0.495 29 A N 2.692 125.276 122.820 -0.393 0.000 2.375 29 A HA 0.747 5.068 4.320 0.000 0.000 0.295 29 A C -1.280 175.895 177.584 -0.681 0.000 1.066 29 A CA -0.646 51.082 52.037 -0.515 0.000 0.722 29 A CB 0.452 19.169 19.000 -0.472 0.000 1.206 29 A HN 0.654 nan 8.150 nan 0.000 0.435 30 F N 3.012 122.804 119.950 -0.263 0.000 2.325 30 F HA 0.497 5.024 4.527 0.000 0.000 0.369 30 F C -0.046 175.607 175.800 -0.245 0.000 1.095 30 F CA -0.434 57.492 58.000 -0.125 0.000 1.082 30 F CB 1.202 40.229 39.000 0.046 0.000 1.289 30 F HN 0.358 nan 8.300 nan 0.000 0.462 31 L N 2.290 123.448 121.223 -0.109 0.000 2.322 31 L HA 0.685 5.025 4.340 0.000 0.000 0.279 31 L C 0.976 177.868 176.870 0.038 0.000 1.036 31 L CA -1.023 53.742 54.840 -0.125 0.000 0.807 31 L CB 1.431 43.319 42.059 -0.285 0.000 1.226 31 L HN 0.846 nan 8.230 nan 0.000 0.433 32 G N 3.088 111.934 108.800 0.078 0.000 2.314 32 G HA2 -0.256 3.704 3.960 0.000 0.000 0.292 32 G HA3 -0.256 3.704 3.960 0.000 0.000 0.292 32 G C -0.190 174.818 174.900 0.180 0.000 1.059 32 G CA -0.263 44.898 45.100 0.101 0.000 0.982 32 G HN 0.465 nan 8.290 nan 0.000 0.505 33 I N 1.395 121.983 120.570 0.031 0.000 2.395 33 I HA 0.257 4.427 4.170 0.000 0.000 0.289 33 I C -1.727 174.197 176.117 -0.321 0.000 1.023 33 I CA -2.357 58.782 61.300 -0.269 0.000 1.350 33 I CB 1.419 39.224 38.000 -0.324 0.000 1.409 33 I HN -0.022 nan 8.210 nan 0.000 0.507 34 P HA 0.113 nan 4.420 nan 0.000 0.281 34 P C -0.278 176.686 177.300 -0.561 0.000 1.252 34 P CA -0.115 62.508 63.100 -0.796 0.000 0.778 34 P CB 0.356 31.499 31.700 -0.929 0.000 0.895 35 F N 1.010 120.636 119.950 -0.540 0.000 2.706 35 F HA 0.791 5.318 4.527 0.000 0.000 0.313 35 F C -0.011 175.700 175.800 -0.149 0.000 1.096 35 F CA -0.968 56.792 58.000 -0.401 0.000 1.219 35 F CB 0.031 38.731 39.000 -0.500 0.000 1.051 35 F HN 0.344 nan 8.300 nan 0.000 0.568 36 A N -0.232 122.277 122.820 -0.519 0.000 2.599 36 A HA 0.610 4.930 4.320 0.000 0.000 0.290 36 A C -1.049 176.351 177.584 -0.308 0.000 1.101 36 A CA -0.805 51.041 52.037 -0.318 0.000 0.674 36 A CB 1.002 19.762 19.000 -0.400 0.000 1.277 36 A HN 0.040 nan 8.150 nan 0.000 0.419 37 E N 0.734 120.838 120.200 -0.159 0.000 2.366 37 E HA 0.366 4.716 4.350 0.000 0.000 0.266 37 E C -2.397 174.108 176.600 -0.158 0.000 1.051 37 E CA -1.526 54.806 56.400 -0.114 0.000 0.884 37 E CB 0.367 30.044 29.700 -0.038 0.000 1.006 37 E HN 0.248 nan 8.360 nan 0.000 0.417 38 P HA 0.069 nan 4.420 nan 0.000 0.262 38 P C -2.309 174.935 177.300 -0.093 0.000 1.199 38 P CA -0.897 62.133 63.100 -0.116 0.000 0.763 38 P CB -0.008 31.662 31.700 -0.050 0.000 0.790 39 P HA -0.002 nan 4.420 nan 0.000 0.228 39 P C -0.214 177.026 177.300 -0.100 0.000 1.748 39 P CA 0.169 63.213 63.100 -0.092 0.000 0.909 39 P CB -0.196 31.448 31.700 -0.093 0.000 1.882 40 V N -3.473 116.392 119.914 -0.082 0.000 3.093 40 V HA 0.887 5.008 4.120 0.000 0.000 0.320 40 V C 1.170 177.223 176.094 -0.068 0.000 1.093 40 V CA 0.071 62.321 62.300 -0.083 0.000 1.016 40 V CB 0.712 32.496 31.823 -0.065 0.000 1.096 40 V HN 0.512 nan 8.190 nan 0.000 0.452 41 G N 1.932 110.692 108.800 -0.067 0.000 2.665 41 G HA2 -0.421 3.540 3.960 0.000 0.000 0.326 41 G HA3 -0.421 3.540 3.960 0.000 0.000 0.326 41 G C 0.661 175.534 174.900 -0.046 0.000 1.231 41 G CA 1.250 46.322 45.100 -0.047 0.000 0.992 41 G HN 1.073 nan 8.290 nan 0.000 0.549 42 N N 0.570 119.261 118.700 -0.015 0.000 2.453 42 N HA 0.078 4.819 4.740 0.000 0.000 0.183 42 N C 2.265 177.773 175.510 -0.003 0.000 1.041 42 N CA 1.327 54.382 53.050 0.009 0.000 0.900 42 N CB -0.130 38.374 38.487 0.028 0.000 0.961 42 N HN 0.446 nan 8.380 nan 0.000 0.443 43 M N -0.185 119.396 119.600 -0.031 0.000 2.562 43 M HA 0.027 4.507 4.480 0.000 0.000 0.257 43 M C 0.609 176.861 176.300 -0.079 0.000 1.099 43 M CA 0.170 55.448 55.300 -0.037 0.000 1.099 43 M CB -0.458 32.116 32.600 -0.043 0.000 1.427 43 M HN 0.067 nan 8.290 nan 0.000 0.489 44 R N 0.618 121.021 120.500 -0.163 0.000 2.484 44 R HA -0.028 4.312 4.340 0.000 0.000 0.293 44 R C -0.392 175.686 176.300 -0.369 0.000 1.023 44 R CA 0.476 56.341 56.100 -0.392 0.000 1.037 44 R CB 0.126 30.053 30.300 -0.622 0.000 0.951 44 R HN 0.198 nan 8.270 nan 0.000 0.418 45 F N -0.005 119.953 119.950 0.012 0.000 2.544 45 F HA -0.273 4.255 4.527 0.000 0.000 0.389 45 F C 0.153 175.936 175.800 -0.029 0.000 0.588 45 F CA 0.735 58.716 58.000 -0.032 0.000 1.461 45 F CB -1.438 37.533 39.000 -0.049 0.000 1.995 45 F HN 0.624 nan 8.300 nan 0.000 0.282 46 R N 1.033 121.598 120.500 0.107 0.000 2.573 46 R HA 0.627 4.967 4.340 0.000 0.000 0.272 46 R C 0.551 176.874 176.300 0.038 0.000 1.009 46 R CA -1.102 55.040 56.100 0.069 0.000 1.059 46 R CB 0.890 31.219 30.300 0.049 0.000 1.112 46 R HN 0.060 nan 8.270 nan 0.000 0.517 47 R N 2.138 122.660 120.500 0.038 0.000 2.698 47 R HA 0.039 4.379 4.340 0.000 0.000 0.266 47 R C -1.848 174.471 176.300 0.032 0.000 1.026 47 R CA -0.917 55.204 56.100 0.035 0.000 1.102 47 R CB -0.153 30.174 30.300 0.046 0.000 0.978 47 R HN 0.423 nan 8.270 nan 0.000 0.436 48 P HA 0.059 nan 4.420 nan 0.000 0.272 48 P C -0.851 176.475 177.300 0.043 0.000 1.230 48 P CA -0.002 63.119 63.100 0.035 0.000 0.788 48 P CB 0.832 32.577 31.700 0.075 0.000 0.949 49 E N 1.836 122.050 120.200 0.024 0.000 2.222 49 E HA 0.465 4.815 4.350 0.000 0.000 0.267 49 E C -2.466 174.161 176.600 0.044 0.000 0.884 49 E CA -2.729 53.692 56.400 0.035 0.000 0.764 49 E CB 0.786 30.498 29.700 0.021 0.000 1.169 49 E HN 0.259 nan 8.360 nan 0.000 0.413 50 P HA -0.035 nan 4.420 nan 0.000 0.265 50 P C -1.096 176.254 177.300 0.083 0.000 1.187 50 P CA -0.111 63.052 63.100 0.105 0.000 0.766 50 P CB 0.382 32.147 31.700 0.108 0.000 0.820 51 K N 3.894 124.354 120.400 0.101 0.000 2.416 51 K HA 0.045 4.366 4.320 0.000 0.000 0.283 51 K C -0.248 176.442 176.600 0.149 0.000 1.037 51 K CA 0.355 56.698 56.287 0.093 0.000 0.995 51 K CB -0.100 32.450 32.500 0.084 0.000 0.938 51 K HN 0.225 nan 8.250 nan 0.000 0.475 52 K N 5.941 126.423 120.400 0.136 0.000 2.401 52 K HA 0.100 4.420 4.320 0.000 0.000 0.278 52 K C -2.196 174.517 176.600 0.189 0.000 1.018 52 K CA -1.538 54.828 56.287 0.132 0.000 0.981 52 K CB 0.193 32.763 32.500 0.117 0.000 0.933 52 K HN 0.511 nan 8.250 nan 0.000 0.477 53 P HA -0.061 nan 4.420 nan 0.000 0.264 53 P C -1.173 176.156 177.300 0.047 0.000 1.193 53 P CA -0.028 63.024 63.100 -0.081 0.000 0.763 53 P CB 0.218 31.835 31.700 -0.139 0.000 0.810 54 W N 2.266 123.641 121.300 0.124 0.000 2.576 54 W HA 0.701 5.361 4.660 0.000 0.000 0.360 54 W C -0.545 176.050 176.519 0.125 0.000 1.109 54 W CA -0.850 56.586 57.345 0.151 0.000 1.237 54 W CB 0.079 29.696 29.460 0.261 0.000 1.369 54 W HN 0.357 nan 8.180 nan 0.000 0.609 55 S N 1.016 116.901 115.700 0.308 0.000 2.718 55 S HA 0.888 5.358 4.470 0.000 0.000 0.300 55 S C 0.333 175.130 174.600 0.329 0.000 1.117 55 S CA -0.193 58.120 58.200 0.188 0.000 1.002 55 S CB 0.950 64.221 63.200 0.118 0.000 1.092 55 S HN 2.093 nan 8.310 nan 0.000 0.542 56 G N -0.486 108.448 108.800 0.224 0.000 2.741 56 G HA2 -0.084 3.877 3.960 0.000 0.000 0.222 56 G HA3 -0.084 3.877 3.960 0.000 0.000 0.222 56 G C -0.833 174.270 174.900 0.339 0.000 1.364 56 G CA -0.429 44.806 45.100 0.224 0.000 0.866 56 G HN 1.578 nan 8.290 nan 0.000 0.555 57 V N 0.925 120.994 119.914 0.258 0.000 2.370 57 V HA 0.465 4.585 4.120 0.000 0.000 0.279 57 V C 0.476 176.721 176.094 0.252 0.000 1.029 57 V CA -0.523 61.957 62.300 0.301 0.000 0.870 57 V CB 1.679 33.615 31.823 0.189 0.000 0.984 57 V HN 0.706 nan 8.190 nan 0.000 0.451 58 W N 5.497 126.892 121.300 0.159 0.000 2.304 58 W HA 0.202 4.862 4.660 0.000 0.000 0.313 58 W C 0.244 176.756 176.519 -0.012 0.000 1.323 58 W CA -0.446 56.837 57.345 -0.102 0.000 1.223 58 W CB 0.734 29.959 29.460 -0.391 0.000 1.237 58 W HN 0.616 nan 8.180 nan 0.000 0.535 59 N N 4.568 123.084 118.700 -0.306 0.000 2.416 59 N HA 0.182 4.923 4.740 0.000 0.000 0.265 59 N C -0.367 175.174 175.510 0.051 0.000 1.195 59 N CA 0.311 53.287 53.050 -0.124 0.000 0.943 59 N CB 1.007 39.353 38.487 -0.235 0.000 1.115 59 N HN 0.395 nan 8.380 nan 0.000 0.481 60 A N 2.629 125.575 122.820 0.210 0.000 2.855 60 A HA 0.181 4.501 4.320 0.000 0.000 0.301 60 A C 0.973 178.584 177.584 0.045 0.000 1.076 60 A CA -0.377 51.806 52.037 0.244 0.000 1.004 60 A CB -0.415 18.819 19.000 0.390 0.000 1.152 60 A HN 0.615 nan 8.150 nan 0.000 0.531 61 S N -0.910 114.773 115.700 -0.028 0.000 2.524 61 S HA 0.180 4.651 4.470 0.000 0.000 0.215 61 S C 0.697 175.212 174.600 -0.142 0.000 0.986 61 S CA 0.622 58.760 58.200 -0.104 0.000 0.911 61 S CB -0.247 62.900 63.200 -0.088 0.000 0.805 61 S HN 0.802 nan 8.310 nan 0.000 0.501 62 T N -0.967 113.517 114.554 -0.117 0.000 2.906 62 T HA 0.630 4.981 4.350 0.000 0.000 0.295 62 T C -0.872 173.784 174.700 -0.074 0.000 1.061 62 T CA -0.748 61.277 62.100 -0.126 0.000 1.000 62 T CB 0.676 69.498 68.868 -0.077 0.000 1.103 62 T HN 0.063 nan 8.240 nan 0.000 0.486 63 Y N 2.940 123.214 120.300 -0.044 0.000 2.683 63 Y HA 0.311 4.861 4.550 0.000 0.000 0.340 63 Y C -1.345 174.499 175.900 -0.093 0.000 1.245 63 Y CA -1.142 56.933 58.100 -0.040 0.000 1.485 63 Y CB 0.125 38.582 38.460 -0.006 0.000 1.328 63 Y HN 0.542 nan 8.280 nan 0.000 0.603 64 P HA 0.121 nan 4.420 nan 0.000 0.284 64 P C -0.693 176.541 177.300 -0.110 0.000 1.292 64 P CA -0.580 62.417 63.100 -0.172 0.000 0.800 64 P CB 0.976 32.467 31.700 -0.348 0.000 1.188 65 N N 0.280 118.883 118.700 -0.163 0.000 2.371 65 N HA 0.093 4.833 4.740 0.000 0.000 0.243 65 N C 0.067 175.548 175.510 -0.047 0.000 1.287 65 N CA 0.292 53.289 53.050 -0.088 0.000 0.911 65 N CB -0.128 38.313 38.487 -0.076 0.000 1.142 65 N HN 0.423 nan 8.380 nan 0.000 0.451 66 N N -0.742 117.924 118.700 -0.058 0.000 2.466 66 N HA 0.304 5.045 4.740 0.000 0.000 0.294 66 N C -0.433 175.040 175.510 -0.061 0.000 1.129 66 N CA -0.709 52.303 53.050 -0.063 0.000 0.931 66 N CB 1.115 39.542 38.487 -0.100 0.000 1.193 66 N HN 0.399 nan 8.380 nan 0.000 0.500 67 c N 1.155 119.720 118.600 -0.058 0.000 2.700 67 c HA 0.047 4.618 4.570 0.000 0.000 0.397 67 c C 0.634 174.660 174.090 -0.108 0.000 1.301 67 c CA -0.555 55.726 56.329 -0.081 0.000 2.219 67 c CB -0.025 42.460 42.510 -0.042 0.000 2.699 67 c HN 0.532 nan 8.230 nan 0.000 0.669 68 Q N 2.518 122.189 119.800 -0.215 0.000 2.274 68 Q HA 0.196 4.536 4.340 0.000 0.000 0.280 68 Q C -0.057 175.952 176.000 0.015 0.000 1.047 68 Q CA 0.976 56.658 55.803 -0.202 0.000 0.907 68 Q CB 0.406 28.802 28.738 -0.570 0.000 1.171 68 Q HN 0.876 nan 8.270 nan 0.000 0.381 69 Q N 1.497 121.361 119.800 0.106 0.000 2.575 69 Q HA 0.316 4.656 4.340 0.000 0.000 0.290 69 Q C -1.255 174.913 176.000 0.280 0.000 0.963 69 Q CA -1.040 54.904 55.803 0.235 0.000 0.783 69 Q CB 0.810 29.645 28.738 0.162 0.000 1.467 69 Q HN 0.467 nan 8.270 nan 0.000 0.402 70 Y N 1.178 121.671 120.300 0.321 0.000 2.610 70 Y HA 0.346 4.896 4.550 0.000 0.000 0.332 70 Y C -1.082 174.995 175.900 0.295 0.000 1.201 70 Y CA 0.323 58.644 58.100 0.368 0.000 1.465 70 Y CB 0.836 39.644 38.460 0.581 0.000 1.283 70 Y HN 0.441 nan 8.280 nan 0.000 0.563 71 V N 6.585 126.178 119.914 -0.534 0.000 2.448 71 V HA 0.139 4.259 4.120 0.000 0.000 0.295 71 V C -0.683 175.104 176.094 -0.512 0.000 1.025 71 V CA -1.064 61.036 62.300 -0.334 0.000 0.859 71 V CB 1.569 33.296 31.823 -0.159 0.000 0.988 71 V HN 0.783 nan 8.190 nan 0.000 0.431 72 D N 3.365 123.703 120.400 -0.103 0.000 2.339 72 D HA 0.165 4.805 4.640 0.000 0.000 0.256 72 D C 0.654 177.014 176.300 0.100 0.000 1.214 72 D CA 0.248 54.309 54.000 0.103 0.000 0.877 72 D CB 0.922 41.917 40.800 0.326 0.000 1.111 72 D HN 0.667 nan 8.370 nan 0.000 0.478 73 E N 2.504 122.741 120.200 0.062 0.000 2.583 73 E HA -0.016 4.334 4.350 0.000 0.000 0.213 73 E C 1.220 177.821 176.600 0.003 0.000 0.989 73 E CA -0.271 56.154 56.400 0.041 0.000 0.991 73 E CB 0.548 30.242 29.700 -0.010 0.000 1.040 73 E HN 0.498 nan 8.360 nan 0.000 0.481 74 Q N -0.171 119.618 119.800 -0.018 0.000 2.062 74 Q HA -0.132 4.208 4.340 0.000 0.000 0.209 74 Q C 0.094 175.721 176.000 -0.621 0.000 0.996 74 Q CA 1.391 56.946 55.803 -0.413 0.000 0.859 74 Q CB 0.018 28.350 28.738 -0.677 0.000 0.920 74 Q HN 0.211 nan 8.270 nan 0.000 0.415 75 F N 0.499 120.536 119.950 0.147 0.000 2.451 75 F HA 0.352 4.879 4.527 0.000 0.000 0.367 75 F C -2.070 173.822 175.800 0.154 0.000 1.100 75 F CA -2.763 55.301 58.000 0.106 0.000 1.171 75 F CB 1.082 40.137 39.000 0.091 0.000 1.405 75 F HN -0.138 nan 8.300 nan 0.000 0.482 76 P HA 0.168 nan 4.420 nan 0.000 0.264 76 P C 1.010 178.403 177.300 0.155 0.000 1.193 76 P CA 1.093 64.278 63.100 0.140 0.000 0.763 76 P CB 0.891 32.635 31.700 0.074 0.000 0.810 77 G N 2.930 111.804 108.800 0.124 0.000 2.347 77 G HA2 -0.320 3.640 3.960 0.000 0.000 0.247 77 G HA3 -0.320 3.640 3.960 0.000 0.000 0.247 77 G C 0.178 175.148 174.900 0.116 0.000 1.037 77 G CA -0.290 44.864 45.100 0.090 0.000 0.622 77 G HN 0.544 nan 8.290 nan 0.000 0.521 78 F N 3.575 123.530 119.950 0.009 0.000 2.571 78 F HA 0.425 4.952 4.527 0.000 0.000 0.384 78 F C 1.789 177.544 175.800 -0.075 0.000 1.058 78 F CA 0.216 58.174 58.000 -0.070 0.000 1.200 78 F CB 0.933 39.888 39.000 -0.074 0.000 1.077 78 F HN 0.307 nan 8.300 nan 0.000 0.558 79 S N 3.310 118.615 115.700 -0.659 0.000 2.423 79 S HA -0.058 4.413 4.470 0.000 0.000 0.231 79 S C 2.220 176.388 174.600 -0.719 0.000 1.014 79 S CA 0.644 58.501 58.200 -0.571 0.000 0.965 79 S CB -1.023 61.906 63.200 -0.451 0.000 0.785 79 S HN 0.796 nan 8.310 nan 0.000 0.495 80 G N 2.036 109.884 108.800 -1.587 0.000 2.440 80 G HA2 -0.201 3.759 3.960 0.000 0.000 0.218 80 G HA3 -0.201 3.759 3.960 0.000 0.000 0.218 80 G C 1.760 176.853 174.900 0.322 0.000 1.154 80 G CA 1.377 45.922 45.100 -0.925 0.000 0.767 80 G HN 0.782 nan 8.290 nan 0.000 0.552 81 S N -0.099 115.822 115.700 0.368 0.000 2.441 81 S HA 0.119 4.590 4.470 0.000 0.000 0.224 81 S C 1.931 176.801 174.600 0.450 0.000 1.043 81 S CA 1.065 59.767 58.200 0.836 0.000 0.948 81 S CB 0.006 63.836 63.200 1.050 0.000 0.810 81 S HN 0.275 nan 8.310 nan 0.000 0.504 82 E N 2.148 122.458 120.200 0.184 0.000 2.204 82 E HA -0.080 4.271 4.350 0.000 0.000 0.195 82 E C 2.070 178.620 176.600 -0.083 0.000 0.990 82 E CA 1.418 57.852 56.400 0.057 0.000 0.821 82 E CB -0.551 29.145 29.700 -0.007 0.000 0.750 82 E HN 0.862 nan 8.360 nan 0.000 0.477 83 M N -2.132 117.322 119.600 -0.243 0.000 2.632 83 M HA -0.048 4.432 4.480 0.000 0.000 0.256 83 M C 0.730 176.626 176.300 -0.675 0.000 1.080 83 M CA 1.200 56.188 55.300 -0.520 0.000 1.084 83 M CB -0.227 31.939 32.600 -0.723 0.000 1.439 83 M HN 0.040 nan 8.290 nan 0.000 0.509 84 W N 0.701 121.948 121.300 -0.088 0.000 3.103 84 W HA 0.306 4.966 4.660 0.000 0.000 0.325 84 W C 0.254 176.693 176.519 -0.132 0.000 1.170 84 W CA -0.922 56.338 57.345 -0.142 0.000 1.712 84 W CB 0.039 29.442 29.460 -0.095 0.000 1.068 84 W HN 0.093 nan 8.180 nan 0.000 0.592 85 N N 1.579 120.321 118.700 0.071 0.000 2.483 85 N HA 0.168 4.909 4.740 0.000 0.000 0.269 85 N C -2.485 172.989 175.510 -0.060 0.000 1.209 85 N CA -1.526 51.537 53.050 0.022 0.000 0.969 85 N CB -0.119 38.385 38.487 0.030 0.000 1.173 85 N HN -0.362 nan 8.380 nan 0.000 0.475 86 P HA 0.026 nan 4.420 nan 0.000 0.262 86 P C 0.225 177.466 177.300 -0.098 0.000 1.182 86 P CA 0.088 63.129 63.100 -0.099 0.000 0.761 86 P CB 0.274 31.927 31.700 -0.078 0.000 0.795 87 N N 2.633 121.258 118.700 -0.125 0.000 2.238 87 N HA 0.083 4.823 4.740 0.000 0.000 0.222 87 N C 0.141 175.600 175.510 -0.085 0.000 1.133 87 N CA 0.002 52.986 53.050 -0.109 0.000 0.854 87 N CB 0.387 38.791 38.487 -0.139 0.000 1.041 87 N HN 0.191 nan 8.380 nan 0.000 0.510 88 R N -0.086 120.364 120.500 -0.083 0.000 2.817 88 R HA 0.310 4.651 4.340 0.000 0.000 0.268 88 R C -0.729 175.535 176.300 -0.061 0.000 1.027 88 R CA -0.742 55.320 56.100 -0.063 0.000 0.928 88 R CB 0.917 31.178 30.300 -0.066 0.000 1.228 88 R HN 0.106 nan 8.270 nan 0.000 0.469 89 E N 1.010 121.178 120.200 -0.054 0.000 2.415 89 E HA 0.039 4.389 4.350 0.000 0.000 0.262 89 E C -0.414 176.150 176.600 -0.060 0.000 1.038 89 E CA 0.485 56.853 56.400 -0.053 0.000 0.921 89 E CB 0.548 30.217 29.700 -0.051 0.000 0.950 89 E HN 0.265 nan 8.360 nan 0.000 0.438 90 M N 2.497 122.061 119.600 -0.059 0.000 2.318 90 M HA 0.326 4.807 4.480 0.000 0.000 0.347 90 M C -0.468 175.783 176.300 -0.083 0.000 1.175 90 M CA -0.263 54.995 55.300 -0.070 0.000 1.075 90 M CB 1.619 34.180 32.600 -0.064 0.000 1.614 90 M HN 0.498 nan 8.290 nan 0.000 0.456 91 S N 1.029 116.667 115.700 -0.103 0.000 2.567 91 S HA 0.262 4.732 4.470 0.000 0.000 0.270 91 S C -0.086 174.417 174.600 -0.161 0.000 1.152 91 S CA -0.698 57.434 58.200 -0.114 0.000 0.835 91 S CB 1.549 64.708 63.200 -0.067 0.000 1.115 91 S HN 0.831 nan 8.310 nan 0.000 0.459 92 E N 0.582 120.665 120.200 -0.196 0.000 2.358 92 E HA -0.036 4.315 4.350 0.000 0.000 0.195 92 E C -0.379 176.143 176.600 -0.130 0.000 1.010 92 E CA 0.466 56.720 56.400 -0.244 0.000 0.856 92 E CB 0.102 29.645 29.700 -0.263 0.000 0.795 92 E HN 0.550 nan 8.360 nan 0.000 0.504 93 D N 0.299 120.663 120.400 -0.059 0.000 2.517 93 D HA -0.007 4.633 4.640 0.000 0.000 0.220 93 D C 0.167 176.558 176.300 0.152 0.000 1.158 93 D CA -0.303 53.712 54.000 0.026 0.000 0.992 93 D CB -0.180 40.657 40.800 0.060 0.000 1.058 93 D HN 0.122 nan 8.370 nan 0.000 0.516 94 c N 1.853 120.508 118.600 0.092 0.000 3.785 94 c HA 0.397 4.967 4.570 0.000 0.000 0.312 94 c C 0.769 174.965 174.090 0.177 0.000 1.566 94 c CA -0.688 55.760 56.329 0.198 0.000 1.837 94 c CB -1.323 41.223 42.510 0.059 0.000 2.826 94 c HN 0.397 nan 8.230 nan 0.000 0.667 95 L N 2.620 123.708 121.223 -0.225 0.000 2.448 95 L HA 0.358 4.699 4.340 0.000 0.000 0.278 95 L C -0.801 175.435 176.870 -1.057 0.000 1.201 95 L CA 0.627 55.102 54.840 -0.608 0.000 1.036 95 L CB -0.749 40.776 42.059 -0.891 0.000 1.325 95 L HN 0.380 nan 8.230 nan 0.000 0.441 96 Y N 2.178 122.377 120.300 -0.169 0.000 2.638 96 Y HA 0.687 5.238 4.550 0.000 0.000 0.339 96 Y C -0.138 175.911 175.900 0.247 0.000 1.084 96 Y CA -1.272 56.800 58.100 -0.048 0.000 1.068 96 Y CB 1.893 40.328 38.460 -0.043 0.000 1.294 96 Y HN 0.207 nan 8.280 nan 0.000 0.480 97 L N -0.251 121.133 121.223 0.269 0.000 2.350 97 L HA 0.778 5.118 4.340 0.000 0.000 0.260 97 L C -1.351 175.550 176.870 0.052 0.000 1.015 97 L CA -1.051 53.872 54.840 0.138 0.000 0.821 97 L CB 1.959 43.981 42.059 -0.061 0.000 1.370 97 L HN 0.472 nan 8.230 nan 0.000 0.416 98 N N 1.637 120.381 118.700 0.072 0.000 2.272 98 N HA 0.751 5.491 4.740 0.000 0.000 0.305 98 N C -1.325 174.115 175.510 -0.115 0.000 1.103 98 N CA -0.273 52.734 53.050 -0.072 0.000 0.791 98 N CB 2.782 41.236 38.487 -0.055 0.000 1.356 98 N HN 0.655 nan 8.380 nan 0.000 0.486 99 I N 0.372 120.777 120.570 -0.275 0.000 2.534 99 I HA 0.364 4.535 4.170 0.000 0.000 0.288 99 I C -0.928 175.132 176.117 -0.096 0.000 1.077 99 I CA -0.685 60.573 61.300 -0.070 0.000 1.051 99 I CB 2.329 40.251 38.000 -0.129 0.000 1.234 99 I HN 0.247 nan 8.210 nan 0.000 0.425 100 W N 5.827 127.268 121.300 0.235 0.000 2.475 100 W HA 0.614 5.275 4.660 0.000 0.000 0.317 100 W C -0.992 175.675 176.519 0.246 0.000 1.046 100 W CA -0.674 56.801 57.345 0.216 0.000 1.215 100 W CB 2.200 31.758 29.460 0.163 0.000 1.335 100 W HN 0.079 nan 8.180 nan 0.000 0.471 101 V N 4.685 124.868 119.914 0.448 0.000 2.540 101 V HA 0.307 4.427 4.120 0.000 0.000 0.302 101 V C -2.077 174.207 176.094 0.317 0.000 1.035 101 V CA -2.468 60.067 62.300 0.392 0.000 0.873 101 V CB 1.997 34.115 31.823 0.492 0.000 0.992 101 V HN 0.257 nan 8.190 nan 0.000 0.428 102 P HA 0.129 nan 4.420 nan 0.000 0.268 102 P C -0.585 176.834 177.300 0.198 0.000 1.208 102 P CA 0.205 63.431 63.100 0.210 0.000 0.777 102 P CB 0.553 32.337 31.700 0.141 0.000 0.875 103 S N 1.666 117.481 115.700 0.191 0.000 2.605 103 S HA 0.577 5.048 4.470 0.000 0.000 0.308 103 S C -2.535 172.147 174.600 0.137 0.000 1.113 103 S CA -1.548 56.749 58.200 0.163 0.000 1.049 103 S CB -0.169 63.131 63.200 0.166 0.000 1.001 103 S HN 0.184 nan 8.310 nan 0.000 0.480 104 P HA 0.208 nan 4.420 nan 0.000 0.269 104 P C -0.569 176.797 177.300 0.111 0.000 1.215 104 P CA -0.472 62.688 63.100 0.099 0.000 0.780 104 P CB 0.342 32.087 31.700 0.074 0.000 0.898 105 R N 3.720 124.293 120.500 0.122 0.000 2.486 105 R HA 0.042 4.382 4.340 0.000 0.000 0.303 105 R C -1.717 174.646 176.300 0.104 0.000 0.958 105 R CA -0.927 55.256 56.100 0.138 0.000 1.077 105 R CB -0.241 30.144 30.300 0.142 0.000 0.921 105 R HN 0.404 nan 8.270 nan 0.000 0.406 106 P HA 0.042 nan 4.420 nan 0.000 0.282 106 P C -1.183 176.154 177.300 0.062 0.000 1.286 106 P CA -0.138 63.007 63.100 0.074 0.000 0.777 106 P CB 0.616 32.361 31.700 0.075 0.000 1.184 107 K N 0.061 120.487 120.400 0.042 0.000 2.425 107 K HA 0.221 4.541 4.320 0.000 0.000 0.259 107 K C -0.291 176.320 176.600 0.018 0.000 0.978 107 K CA -0.347 55.957 56.287 0.028 0.000 0.883 107 K CB 0.260 32.772 32.500 0.020 0.000 1.110 107 K HN 0.539 nan 8.250 nan 0.000 0.436 108 S N 2.143 117.850 115.700 0.012 0.000 3.524 108 S HA -0.168 4.302 4.470 0.000 0.000 0.377 108 S C -0.114 174.488 174.600 0.004 0.000 0.949 108 S CA 1.012 59.210 58.200 -0.004 0.000 1.264 108 S CB -1.050 62.139 63.200 -0.019 0.000 0.918 108 S HN 0.763 nan 8.310 nan 0.000 0.517 109 T N 1.884 116.452 114.554 0.024 0.000 2.881 109 T HA 0.544 4.894 4.350 0.000 0.000 0.278 109 T C 0.542 175.256 174.700 0.023 0.000 0.982 109 T CA 0.338 62.454 62.100 0.026 0.000 0.989 109 T CB 0.982 69.878 68.868 0.046 0.000 1.058 109 T HN 0.502 nan 8.240 nan 0.000 0.529 110 T N 2.316 116.879 114.554 0.015 0.000 2.940 110 T HA 0.320 4.670 4.350 0.000 0.000 0.309 110 T C -0.326 174.397 174.700 0.038 0.000 1.056 110 T CA -0.291 61.814 62.100 0.008 0.000 1.137 110 T CB 0.381 69.240 68.868 -0.015 0.000 0.976 110 T HN 0.405 nan 8.240 nan 0.000 0.547 111 V N 4.811 124.752 119.914 0.044 0.000 2.459 111 V HA 0.460 4.580 4.120 0.000 0.000 0.295 111 V C -0.052 176.100 176.094 0.096 0.000 1.029 111 V CA -0.707 61.644 62.300 0.085 0.000 0.874 111 V CB 1.586 33.462 31.823 0.089 0.000 0.985 111 V HN 0.834 nan 8.190 nan 0.000 0.438 112 M N 4.824 124.508 119.600 0.141 0.000 2.181 112 M HA 0.544 5.024 4.480 0.000 0.000 0.323 112 M C -1.190 175.362 176.300 0.420 0.000 1.004 112 M CA -0.647 54.758 55.300 0.175 0.000 0.941 112 M CB 2.129 34.718 32.600 -0.017 0.000 1.579 112 M HN 0.351 nan 8.290 nan 0.000 0.427 113 V N 3.430 123.635 119.914 0.484 0.000 2.334 113 V HA 0.297 4.417 4.120 0.000 0.000 0.281 113 V C -0.667 175.706 176.094 0.465 0.000 1.016 113 V CA -0.651 61.903 62.300 0.422 0.000 0.832 113 V CB 1.247 33.183 31.823 0.188 0.000 0.999 113 V HN 0.850 nan 8.190 nan 0.000 0.439 114 W N 6.928 128.299 121.300 0.118 0.000 2.272 114 W HA 0.598 5.259 4.660 0.000 0.000 0.318 114 W C -1.163 175.213 176.519 -0.238 0.000 1.255 114 W CA -0.638 56.487 57.345 -0.367 0.000 1.200 114 W CB 1.093 30.409 29.460 -0.241 0.000 1.170 114 W HN 0.435 nan 8.180 nan 0.000 0.549 115 I N 9.140 128.941 120.570 -1.282 0.000 2.448 115 I HA 0.048 4.218 4.170 0.000 0.000 0.281 115 I C -0.346 174.975 176.117 -1.327 0.000 1.027 115 I CA -1.116 59.577 61.300 -1.013 0.000 1.111 115 I CB 0.617 38.222 38.000 -0.659 0.000 1.236 115 I HN 0.285 nan 8.210 nan 0.000 0.452 116 Y N 4.435 124.276 120.300 -0.766 0.000 2.550 116 Y HA 0.597 5.147 4.550 0.000 0.000 0.343 116 Y C 0.757 176.524 175.900 -0.222 0.000 1.245 116 Y CA -0.729 57.098 58.100 -0.456 0.000 1.462 116 Y CB -0.119 38.317 38.460 -0.040 0.000 1.340 116 Y HN 0.516 nan 8.280 nan 0.000 0.604 117 G N -0.641 108.219 108.800 0.099 0.000 2.583 117 G HA2 0.506 4.466 3.960 0.000 0.000 0.280 117 G HA3 0.506 4.466 3.960 0.000 0.000 0.280 117 G C 0.282 175.142 174.900 -0.068 0.000 1.376 117 G CA -0.935 44.136 45.100 -0.049 0.000 1.043 117 G HN 1.712 nan 8.290 nan 0.000 0.538 118 G N -2.889 105.713 108.800 -0.330 0.000 2.332 118 G HA2 0.410 4.370 3.960 0.000 0.000 0.216 118 G HA3 0.410 4.370 3.960 0.000 0.000 0.216 118 G C 1.053 175.379 174.900 -0.956 0.000 1.041 118 G CA 0.747 45.501 45.100 -0.575 0.000 0.836 118 G HN 2.314 nan 8.290 nan 0.000 0.530 119 G N -0.472 107.814 108.800 -0.858 0.000 2.180 119 G HA2 -0.146 3.814 3.960 0.000 0.000 0.263 119 G HA3 -0.146 3.814 3.960 0.000 0.000 0.263 119 G C 0.906 175.583 174.900 -0.372 0.000 0.989 119 G CA 0.849 45.316 45.100 -1.055 0.000 0.692 119 G HN 1.755 nan 8.290 nan 0.000 0.526 120 F N -3.391 116.458 119.950 -0.168 0.000 2.840 120 F HA -0.282 4.245 4.527 0.000 0.000 0.310 120 F C 1.353 177.237 175.800 0.139 0.000 0.688 120 F CA 1.986 59.998 58.000 0.022 0.000 1.286 120 F CB -2.091 36.788 39.000 -0.201 0.000 1.612 120 F HN 0.944 nan 8.300 nan 0.000 0.335 121 Y N -1.136 119.234 120.300 0.117 0.000 2.527 121 Y HA 0.675 5.225 4.550 0.000 0.000 0.247 121 Y C 0.544 176.533 175.900 0.149 0.000 1.138 121 Y CA 0.176 58.357 58.100 0.134 0.000 1.228 121 Y CB 0.009 38.459 38.460 -0.016 0.000 1.252 121 Y HN 0.123 nan 8.280 nan 0.000 0.531 122 S N -0.803 114.686 115.700 -0.352 0.000 2.703 122 S HA 0.869 5.339 4.470 0.000 0.000 0.273 122 S C -0.239 174.186 174.600 -0.292 0.000 1.178 122 S CA -0.485 57.556 58.200 -0.265 0.000 0.838 122 S CB 1.373 64.367 63.200 -0.343 0.000 1.178 122 S HN 1.393 nan 8.310 nan 0.000 0.494 123 G N -0.334 108.261 108.800 -0.343 0.000 2.465 123 G HA2 0.434 4.395 3.960 0.000 0.000 0.681 123 G HA3 0.434 4.395 3.960 0.000 0.000 0.681 123 G C -0.981 173.296 174.900 -1.037 0.000 1.340 123 G CA -0.287 44.441 45.100 -0.621 0.000 0.884 123 G HN 1.496 nan 8.290 nan 0.000 0.650 124 S N -0.983 114.120 115.700 -0.996 0.000 2.556 124 S HA 0.709 5.180 4.470 0.000 0.000 0.271 124 S C 0.888 175.357 174.600 -0.219 0.000 1.135 124 S CA 0.072 57.894 58.200 -0.630 0.000 0.858 124 S CB 1.810 64.834 63.200 -0.292 0.000 1.114 124 S HN 1.964 nan 8.310 nan 0.000 0.468 125 S N -0.340 115.420 115.700 0.100 0.000 2.558 125 S HA -0.031 4.439 4.470 0.000 0.000 0.217 125 S C 1.333 176.029 174.600 0.161 0.000 0.975 125 S CA 0.746 59.181 58.200 0.393 0.000 0.912 125 S CB -0.586 62.877 63.200 0.439 0.000 0.776 125 S HN 0.854 nan 8.310 nan 0.000 0.526 126 T N 0.128 114.580 114.554 -0.171 0.000 3.086 126 T HA 0.406 4.756 4.350 0.000 0.000 0.250 126 T C 0.495 174.882 174.700 -0.523 0.000 1.074 126 T CA -0.535 61.143 62.100 -0.703 0.000 0.988 126 T CB -0.594 67.778 68.868 -0.828 0.000 0.988 126 T HN 0.307 nan 8.240 nan 0.000 0.530 127 L N 1.844 122.867 121.223 -0.333 0.000 2.483 127 L HA 0.170 4.510 4.340 0.000 0.000 0.276 127 L C 1.377 178.007 176.870 -0.400 0.000 1.213 127 L CA -0.412 54.161 54.840 -0.445 0.000 0.843 127 L CB 0.290 41.905 42.059 -0.740 0.000 1.107 127 L HN 0.052 nan 8.230 nan 0.000 0.487 128 D N 0.781 120.966 120.400 -0.359 0.000 2.123 128 D HA -0.159 4.482 4.640 0.000 0.000 0.196 128 D C 1.958 178.066 176.300 -0.321 0.000 0.992 128 D CA 1.405 55.256 54.000 -0.249 0.000 0.833 128 D CB -0.087 40.577 40.800 -0.228 0.000 0.954 128 D HN 0.511 nan 8.370 nan 0.000 0.455 129 V N -1.360 118.232 119.914 -0.536 0.000 2.913 129 V HA -0.166 3.954 4.120 0.000 0.000 0.260 129 V C 1.146 176.818 176.094 -0.704 0.000 1.098 129 V CA 1.118 63.074 62.300 -0.573 0.000 1.121 129 V CB -1.066 30.336 31.823 -0.702 0.000 0.714 129 V HN 0.129 nan 8.190 nan 0.000 0.487 130 Y N 0.144 120.000 120.300 -0.739 0.000 2.468 130 Y HA 0.412 4.962 4.550 0.000 0.000 0.268 130 Y C 1.180 176.668 175.900 -0.687 0.000 1.177 130 Y CA -1.640 55.771 58.100 -1.149 0.000 1.265 130 Y CB -1.021 37.100 38.460 -0.564 0.000 1.103 130 Y HN 0.285 nan 8.280 nan 0.000 0.522 131 N N 1.388 119.927 118.700 -0.268 0.000 2.411 131 N HA -0.032 4.708 4.740 0.000 0.000 0.265 131 N C 1.220 176.449 175.510 -0.468 0.000 1.266 131 N CA 0.705 53.608 53.050 -0.244 0.000 0.889 131 N CB 1.178 39.621 38.487 -0.073 0.000 1.069 131 N HN 0.442 nan 8.380 nan 0.000 0.476 132 G N 3.092 111.041 108.800 -1.419 0.000 3.141 132 G HA2 -0.100 3.860 3.960 0.000 0.000 0.218 132 G HA3 -0.100 3.860 3.960 0.000 0.000 0.218 132 G C 1.363 175.651 174.900 -1.020 0.000 1.170 132 G CA 0.017 44.496 45.100 -1.035 0.000 0.769 132 G HN 0.750 nan 8.290 nan 0.000 0.546 133 K N -0.448 119.228 120.400 -1.206 0.000 2.097 133 K HA -0.083 4.238 4.320 0.000 0.000 0.205 133 K C 1.636 178.018 176.600 -0.362 0.000 1.050 133 K CA 0.909 56.798 56.287 -0.662 0.000 0.938 133 K CB -0.473 31.694 32.500 -0.556 0.000 0.718 133 K HN 0.368 nan 8.250 nan 0.000 0.442 134 Y N 1.017 121.244 120.300 -0.122 0.000 2.200 134 Y HA -0.115 4.435 4.550 0.000 0.000 0.290 134 Y C 2.351 178.263 175.900 0.021 0.000 1.137 134 Y CA 0.461 58.543 58.100 -0.029 0.000 1.163 134 Y CB -0.261 38.153 38.460 -0.077 0.000 0.988 134 Y HN 0.032 nan 8.280 nan 0.000 0.518 135 L N 0.364 121.637 121.223 0.083 0.000 2.072 135 L HA 0.011 4.351 4.340 0.000 0.000 0.205 135 L C 2.338 179.233 176.870 0.042 0.000 1.079 135 L CA 1.820 56.665 54.840 0.008 0.000 0.752 135 L CB -1.107 40.867 42.059 -0.142 0.000 0.906 135 L HN 0.117 nan 8.230 nan 0.000 0.436 136 A N -1.275 121.583 122.820 0.063 0.000 1.902 136 A HA -0.270 4.050 4.320 0.000 0.000 0.217 136 A C 2.299 179.968 177.584 0.142 0.000 1.181 136 A CA 1.857 53.972 52.037 0.131 0.000 0.623 136 A CB -1.146 17.991 19.000 0.228 0.000 0.818 136 A HN 0.651 nan 8.150 nan 0.000 0.443 137 Y N 0.909 121.235 120.300 0.044 0.000 2.109 137 Y HA -0.161 4.390 4.550 0.000 0.000 0.285 137 Y C 2.648 178.575 175.900 0.045 0.000 1.131 137 Y CA 2.477 60.607 58.100 0.049 0.000 1.121 137 Y CB -0.738 37.736 38.460 0.024 0.000 0.987 137 Y HN 0.264 nan 8.280 nan 0.000 0.495 138 T N 0.535 115.129 114.554 0.067 0.000 2.720 138 T HA -0.148 4.203 4.350 0.000 0.000 0.268 138 T C 1.312 175.965 174.700 -0.079 0.000 1.037 138 T CA 1.766 63.841 62.100 -0.042 0.000 1.144 138 T CB -0.154 68.783 68.868 0.115 0.000 0.864 138 T HN 0.340 nan 8.240 nan 0.000 0.444 139 E N 0.433 120.624 120.200 -0.015 0.000 2.474 139 E HA 0.092 4.442 4.350 0.000 0.000 0.195 139 E C 0.184 176.785 176.600 0.001 0.000 1.039 139 E CA 0.001 56.409 56.400 0.013 0.000 0.881 139 E CB 0.162 29.885 29.700 0.039 0.000 0.970 139 E HN 0.437 nan 8.360 nan 0.000 0.486 140 E N 0.221 120.405 120.200 -0.027 0.000 2.271 140 E HA -0.158 4.192 4.350 0.000 0.000 0.223 140 E C -0.354 176.268 176.600 0.038 0.000 1.223 140 E CA 0.698 57.096 56.400 -0.004 0.000 0.704 140 E CB -1.772 27.915 29.700 -0.022 0.000 1.194 140 E HN 0.127 nan 8.360 nan 0.000 0.375 141 V N -3.632 116.320 119.914 0.064 0.000 3.040 141 V HA 0.671 4.791 4.120 0.000 0.000 0.312 141 V C 0.317 176.493 176.094 0.137 0.000 1.115 141 V CA -1.081 61.267 62.300 0.079 0.000 0.998 141 V CB 2.449 34.303 31.823 0.053 0.000 1.042 141 V HN -0.074 nan 8.190 nan 0.000 0.433 142 V N 3.594 123.598 119.914 0.150 0.000 2.408 142 V HA 0.399 4.520 4.120 0.000 0.000 0.267 142 V C -0.073 176.163 176.094 0.236 0.000 1.047 142 V CA -0.054 62.371 62.300 0.208 0.000 0.937 142 V CB 0.941 32.874 31.823 0.184 0.000 0.999 142 V HN 0.777 nan 8.190 nan 0.000 0.472 143 L N 7.091 128.513 121.223 0.331 0.000 2.287 143 L HA 0.640 4.980 4.340 0.000 0.000 0.287 143 L C -0.441 176.735 176.870 0.511 0.000 1.022 143 L CA 0.137 55.220 54.840 0.405 0.000 0.814 143 L CB 1.563 43.857 42.059 0.392 0.000 1.217 143 L HN 0.440 nan 8.230 nan 0.000 0.420 144 V N 3.320 123.496 119.914 0.437 0.000 2.581 144 V HA 0.677 4.797 4.120 0.000 0.000 0.303 144 V C -0.319 176.046 176.094 0.452 0.000 1.041 144 V CA -0.501 62.024 62.300 0.376 0.000 0.907 144 V CB 1.963 33.920 31.823 0.224 0.000 0.994 144 V HN 0.850 nan 8.190 nan 0.000 0.442 145 S N 4.743 120.711 115.700 0.447 0.000 2.605 145 S HA 0.820 5.290 4.470 0.000 0.000 0.308 145 S C -0.808 173.967 174.600 0.291 0.000 1.113 145 S CA -0.776 57.700 58.200 0.459 0.000 1.049 145 S CB 1.467 65.050 63.200 0.638 0.000 1.001 145 S HN 0.676 nan 8.310 nan 0.000 0.480 146 L N 0.876 122.200 121.223 0.168 0.000 2.492 146 L HA 1.015 5.355 4.340 0.000 0.000 0.263 146 L C 0.079 177.073 176.870 0.207 0.000 1.062 146 L CA -0.696 54.206 54.840 0.102 0.000 0.817 146 L CB 0.340 42.328 42.059 -0.118 0.000 1.441 146 L HN 0.855 nan 8.230 nan 0.000 0.493 147 S N -1.796 114.087 115.700 0.306 0.000 2.618 147 S HA 0.889 5.359 4.470 0.000 0.000 0.277 147 S C -1.323 173.538 174.600 0.436 0.000 1.138 147 S CA -0.551 57.868 58.200 0.364 0.000 0.844 147 S CB 1.514 64.975 63.200 0.436 0.000 1.127 147 S HN 1.172 nan 8.310 nan 0.000 0.474 148 Y N -1.843 118.591 120.300 0.223 0.000 2.624 148 Y HA 0.700 5.250 4.550 0.000 0.000 0.334 148 Y C -0.805 175.236 175.900 0.235 0.000 1.155 148 Y CA -1.452 56.765 58.100 0.195 0.000 1.046 148 Y CB 0.599 39.130 38.460 0.118 0.000 1.316 148 Y HN 0.763 nan 8.280 nan 0.000 0.457 149 R N 1.670 122.301 120.500 0.218 0.000 2.537 149 R HA 0.545 4.885 4.340 0.000 0.000 0.280 149 R C -0.214 176.254 176.300 0.281 0.000 1.058 149 R CA -0.252 55.940 56.100 0.153 0.000 1.057 149 R CB 0.912 31.272 30.300 0.099 0.000 0.973 149 R HN 0.690 nan 8.270 nan 0.000 0.438 150 V N -0.133 119.969 119.914 0.314 0.000 3.166 150 V HA 0.895 5.016 4.120 0.000 0.000 0.317 150 V C 0.758 177.172 176.094 0.533 0.000 1.136 150 V CA -0.105 62.493 62.300 0.498 0.000 1.035 150 V CB 1.184 33.195 31.823 0.313 0.000 1.110 150 V HN 0.971 nan 8.190 nan 0.000 0.450 151 G N 0.638 109.780 108.800 0.571 0.000 2.575 151 G HA2 0.017 3.977 3.960 0.000 0.000 0.267 151 G HA3 0.017 3.977 3.960 0.000 0.000 0.267 151 G C 1.004 176.063 174.900 0.265 0.000 1.264 151 G CA 0.964 46.332 45.100 0.447 0.000 0.935 151 G HN 2.201 nan 8.290 nan 0.000 0.568 152 A N -1.335 121.328 122.820 -0.263 0.000 1.940 152 A HA 0.202 4.523 4.320 0.000 0.000 0.219 152 A C 2.247 179.696 177.584 -0.225 0.000 1.176 152 A CA 2.593 54.162 52.037 -0.780 0.000 0.631 152 A CB -0.532 17.801 19.000 -1.113 0.000 0.814 152 A HN 0.993 nan 8.150 nan 0.000 0.446 153 F N 0.064 120.076 119.950 0.102 0.000 2.192 153 F HA -0.068 4.460 4.527 0.000 0.000 0.301 153 F C 2.393 178.205 175.800 0.019 0.000 1.079 153 F CA 1.273 59.306 58.000 0.055 0.000 1.303 153 F CB -0.633 38.350 39.000 -0.028 0.000 1.024 153 F HN 0.298 nan 8.300 nan 0.000 0.494 154 G N -2.928 105.948 108.800 0.127 0.000 3.062 154 G HA2 0.129 4.089 3.960 0.000 0.000 0.228 154 G HA3 0.129 4.089 3.960 0.000 0.000 0.228 154 G C 0.633 175.006 174.900 -0.879 0.000 1.094 154 G CA 0.050 44.968 45.100 -0.303 0.000 0.782 154 G HN 0.325 nan 8.290 nan 0.000 0.541 155 F N -0.585 119.438 119.950 0.121 0.000 2.960 155 F HA 0.403 4.930 4.527 0.000 0.000 0.345 155 F C 0.290 176.130 175.800 0.065 0.000 1.147 155 F CA -0.999 57.051 58.000 0.084 0.000 1.099 155 F CB 0.416 39.484 39.000 0.114 0.000 1.219 155 F HN -0.073 nan 8.300 nan 0.000 0.525 156 L N 2.362 123.578 121.223 -0.012 0.000 2.559 156 L HA 0.455 4.796 4.340 0.000 0.000 0.274 156 L C 0.148 176.985 176.870 -0.056 0.000 1.205 156 L CA 0.184 54.909 54.840 -0.191 0.000 0.907 156 L CB 0.229 41.892 42.059 -0.659 0.000 1.153 156 L HN 0.161 nan 8.230 nan 0.000 0.490 157 A N 7.004 129.842 122.820 0.031 0.000 2.340 157 A HA 0.626 4.946 4.320 0.000 0.000 0.297 157 A C -0.796 176.803 177.584 0.025 0.000 1.195 157 A CA -0.483 51.578 52.037 0.041 0.000 0.769 157 A CB 0.573 19.627 19.000 0.090 0.000 1.163 157 A HN 0.717 nan 8.150 nan 0.000 0.472 158 L N 3.644 124.874 121.223 0.011 0.000 2.502 158 L HA 0.230 4.571 4.340 0.000 0.000 0.247 158 L C -0.017 176.888 176.870 0.059 0.000 1.180 158 L CA -0.781 54.068 54.840 0.015 0.000 0.956 158 L CB 0.378 42.413 42.059 -0.040 0.000 1.282 158 L HN 0.916 nan 8.230 nan 0.000 0.470 159 H N 1.581 120.651 119.070 -0.000 0.000 3.064 159 H HA 0.223 4.779 4.556 0.000 0.000 0.329 159 H C 1.149 176.482 175.328 0.008 0.000 1.020 159 H CA 1.697 57.752 56.048 0.011 0.000 1.402 159 H CB 0.881 30.654 29.762 0.017 0.000 1.379 159 H HN 0.692 nan 8.280 nan 0.000 0.594 160 G N 2.541 111.031 108.800 -0.517 0.000 2.397 160 G HA2 -0.293 3.667 3.960 0.000 0.000 0.211 160 G HA3 -0.293 3.667 3.960 0.000 0.000 0.211 160 G C 0.622 175.424 174.900 -0.163 0.000 1.077 160 G CA 0.282 45.172 45.100 -0.350 0.000 0.649 160 G HN 0.913 nan 8.290 nan 0.000 0.511 161 S N 0.036 115.679 115.700 -0.094 0.000 2.600 161 S HA 0.535 5.005 4.470 0.000 0.000 0.265 161 S C 1.028 175.613 174.600 -0.026 0.000 1.325 161 S CA 0.843 59.017 58.200 -0.042 0.000 1.002 161 S CB 1.162 64.350 63.200 -0.021 0.000 0.921 161 S HN 0.321 nan 8.310 nan 0.000 0.554 162 Q N 0.620 120.418 119.800 -0.004 0.000 2.189 162 Q HA 0.258 4.598 4.340 0.000 0.000 0.223 162 Q C 0.833 176.852 176.000 0.032 0.000 0.828 162 Q CA -0.005 55.805 55.803 0.012 0.000 0.967 162 Q CB 0.470 29.213 28.738 0.008 0.000 1.139 162 Q HN 0.663 nan 8.270 nan 0.000 0.497 163 E N 0.479 120.703 120.200 0.039 0.000 2.276 163 E HA 0.166 4.517 4.350 0.000 0.000 0.193 163 E C 0.099 176.760 176.600 0.102 0.000 0.983 163 E CA 0.423 56.865 56.400 0.071 0.000 0.861 163 E CB 0.758 30.505 29.700 0.078 0.000 0.817 163 E HN 0.108 nan 8.360 nan 0.000 0.485 164 A N 1.718 124.573 122.820 0.057 0.000 3.300 164 A HA 0.287 4.607 4.320 0.000 0.000 0.300 164 A C -2.109 175.485 177.584 0.016 0.000 1.099 164 A CA -0.846 51.214 52.037 0.038 0.000 0.846 164 A CB 0.657 19.603 19.000 -0.091 0.000 1.255 164 A HN -0.124 nan 8.150 nan 0.000 0.519 165 P HA 0.133 nan 4.420 nan 0.000 0.229 165 P C 0.877 178.228 177.300 0.084 0.000 1.160 165 P CA 1.704 64.842 63.100 0.065 0.000 0.777 165 P CB 0.199 31.938 31.700 0.064 0.000 0.814 166 G N 0.826 109.653 108.800 0.046 0.000 2.690 166 G HA2 -0.161 3.799 3.960 0.000 0.000 0.686 166 G HA3 -0.161 3.799 3.960 0.000 0.000 0.686 166 G C -0.079 174.821 174.900 0.000 0.000 1.277 166 G CA -0.299 44.829 45.100 0.047 0.000 0.799 166 G HN 0.138 nan 8.290 nan 0.000 0.613 167 N N -2.357 116.334 118.700 -0.015 0.000 2.828 167 N HA -0.291 4.449 4.740 0.000 0.000 0.248 167 N C 1.917 177.254 175.510 -0.289 0.000 1.044 167 N CA 2.420 55.388 53.050 -0.136 0.000 0.851 167 N CB -1.720 36.624 38.487 -0.239 0.000 1.136 167 N HN 1.918 nan 8.380 nan 0.000 0.572 168 V N -2.501 117.242 119.914 -0.285 0.000 2.594 168 V HA -0.030 4.090 4.120 0.000 0.000 0.253 168 V C 2.310 178.258 176.094 -0.243 0.000 1.069 168 V CA 2.320 64.504 62.300 -0.194 0.000 1.082 168 V CB -0.942 30.818 31.823 -0.105 0.000 0.680 168 V HN 0.294 nan 8.190 nan 0.000 0.469 169 G N 0.267 108.717 108.800 -0.584 0.000 2.422 169 G HA2 -0.097 3.863 3.960 0.000 0.000 0.218 169 G HA3 -0.097 3.863 3.960 0.000 0.000 0.218 169 G C 1.532 176.413 174.900 -0.031 0.000 1.140 169 G CA 1.021 45.939 45.100 -0.303 0.000 0.775 169 G HN 0.532 nan 8.290 nan 0.000 0.545 170 L N -0.190 120.955 121.223 -0.129 0.000 2.109 170 L HA 0.103 4.443 4.340 0.000 0.000 0.207 170 L C 2.796 179.687 176.870 0.034 0.000 1.086 170 L CA 0.357 55.101 54.840 -0.160 0.000 0.760 170 L CB -0.277 41.374 42.059 -0.679 0.000 0.910 170 L HN 0.178 nan 8.230 nan 0.000 0.437 171 L N -0.559 120.671 121.223 0.012 0.000 2.141 171 L HA -0.198 4.142 4.340 0.000 0.000 0.209 171 L C 2.145 179.101 176.870 0.144 0.000 1.094 171 L CA 0.816 55.738 54.840 0.138 0.000 0.763 171 L CB -0.572 41.545 42.059 0.096 0.000 0.908 171 L HN 0.270 nan 8.230 nan 0.000 0.437 172 D N -0.081 120.401 120.400 0.137 0.000 2.097 172 D HA -0.196 4.444 4.640 0.000 0.000 0.195 172 D C 2.272 178.687 176.300 0.192 0.000 0.989 172 D CA 1.142 55.295 54.000 0.255 0.000 0.827 172 D CB -0.151 40.832 40.800 0.305 0.000 0.966 172 D HN 0.385 nan 8.370 nan 0.000 0.456 173 Q N 0.171 120.026 119.800 0.093 0.000 2.061 173 Q HA -0.146 4.194 4.340 0.000 0.000 0.204 173 Q C 2.295 178.229 176.000 -0.111 0.000 0.984 173 Q CA 1.108 56.878 55.803 -0.054 0.000 0.846 173 Q CB -0.077 28.643 28.738 -0.030 0.000 0.902 173 Q HN 0.185 nan 8.270 nan 0.000 0.421 174 R N 0.457 120.983 120.500 0.044 0.000 2.105 174 R HA -0.148 4.192 4.340 0.000 0.000 0.239 174 R C 2.132 178.430 176.300 -0.004 0.000 1.135 174 R CA 1.482 57.592 56.100 0.017 0.000 0.967 174 R CB -0.129 30.283 30.300 0.188 0.000 0.861 174 R HN 0.274 nan 8.270 nan 0.000 0.442 175 M N -0.257 119.368 119.600 0.043 0.000 2.254 175 M HA -0.019 4.462 4.480 0.000 0.000 0.265 175 M C 2.015 178.289 176.300 -0.043 0.000 1.066 175 M CA 1.614 56.968 55.300 0.090 0.000 1.123 175 M CB 0.110 32.856 32.600 0.243 0.000 1.388 175 M HN 0.294 nan 8.290 nan 0.000 0.425 176 A N 0.304 122.855 122.820 -0.449 0.000 1.930 176 A HA -0.082 4.239 4.320 0.000 0.000 0.217 176 A C 1.965 179.420 177.584 -0.215 0.000 1.175 176 A CA 1.193 52.738 52.037 -0.820 0.000 0.627 176 A CB -0.855 17.392 19.000 -1.255 0.000 0.815 176 A HN 0.554 nan 8.150 nan 0.000 0.443 177 L N -1.063 120.069 121.223 -0.153 0.000 2.093 177 L HA -0.202 4.138 4.340 0.000 0.000 0.208 177 L C 2.821 179.730 176.870 0.065 0.000 1.085 177 L CA 1.636 56.453 54.840 -0.039 0.000 0.755 177 L CB -0.447 41.554 42.059 -0.098 0.000 0.904 177 L HN 0.475 nan 8.230 nan 0.000 0.435 178 Q N -0.304 119.530 119.800 0.057 0.000 2.119 178 Q HA -0.253 4.088 4.340 0.000 0.000 0.201 178 Q C 1.992 178.091 176.000 0.165 0.000 0.972 178 Q CA 1.780 57.632 55.803 0.081 0.000 0.847 178 Q CB -0.456 28.318 28.738 0.060 0.000 0.903 178 Q HN 0.481 nan 8.270 nan 0.000 0.433 179 W N -0.781 120.526 121.300 0.011 0.000 2.358 179 W HA -0.141 4.519 4.660 0.000 0.000 0.303 179 W C 1.748 178.292 176.519 0.041 0.000 1.208 179 W CA 1.562 58.935 57.345 0.047 0.000 1.274 179 W CB -0.114 29.372 29.460 0.045 0.000 1.138 179 W HN 0.005 nan 8.180 nan 0.000 0.515 180 V N 0.064 120.182 119.914 0.341 0.000 2.295 180 V HA -0.370 3.750 4.120 0.000 0.000 0.246 180 V C 2.568 178.673 176.094 0.018 0.000 1.049 180 V CA 2.347 64.768 62.300 0.201 0.000 1.024 180 V CB -1.283 30.651 31.823 0.184 0.000 0.648 180 V HN 0.337 nan 8.190 nan 0.000 0.447 181 H N 0.147 119.197 119.070 -0.033 0.000 2.390 181 H HA -0.187 4.369 4.556 0.000 0.000 0.298 181 H C 1.833 177.067 175.328 -0.155 0.000 1.106 181 H CA 2.060 58.065 56.048 -0.072 0.000 1.297 181 H CB 0.063 29.803 29.762 -0.037 0.000 1.375 181 H HN 0.445 nan 8.280 nan 0.000 0.509 182 D N -0.601 119.748 120.400 -0.085 0.000 2.305 182 D HA -0.017 4.623 4.640 0.000 0.000 0.206 182 D C 1.259 177.304 176.300 -0.424 0.000 0.974 182 D CA 0.374 54.251 54.000 -0.205 0.000 0.871 182 D CB 0.134 40.859 40.800 -0.126 0.000 0.947 182 D HN 0.469 nan 8.370 nan 0.000 0.516 183 N N -0.049 118.302 118.700 -0.581 0.000 2.239 183 N HA 0.023 4.763 4.740 0.000 0.000 0.208 183 N C 1.522 176.805 175.510 -0.379 0.000 1.200 183 N CA -0.160 52.513 53.050 -0.629 0.000 0.895 183 N CB 1.091 38.926 38.487 -1.085 0.000 1.085 183 N HN -0.002 nan 8.380 nan 0.000 0.500 184 I N 3.238 123.657 120.570 -0.252 0.000 2.530 184 I HA -0.258 3.912 4.170 0.000 0.000 0.257 184 I C 2.541 178.629 176.117 -0.048 0.000 1.179 184 I CA 1.398 62.696 61.300 -0.004 0.000 1.440 184 I CB -0.213 37.783 38.000 -0.006 0.000 1.087 184 I HN 0.203 nan 8.210 nan 0.000 0.440 185 Q N -0.951 118.631 119.800 -0.363 0.000 2.226 185 Q HA -0.213 4.127 4.340 0.000 0.000 0.204 185 Q C 1.704 177.525 176.000 -0.297 0.000 0.975 185 Q CA 1.527 57.106 55.803 -0.374 0.000 0.866 185 Q CB -0.753 27.667 28.738 -0.529 0.000 0.915 185 Q HN 0.416 nan 8.270 nan 0.000 0.440 186 F N -0.410 119.485 119.950 -0.091 0.000 2.748 186 F HA 0.156 4.683 4.527 0.000 0.000 0.299 186 F C 0.764 176.306 175.800 -0.430 0.000 1.154 186 F CA -0.036 57.796 58.000 -0.280 0.000 1.446 186 F CB -0.091 38.653 39.000 -0.427 0.000 1.112 186 F HN -0.009 nan 8.300 nan 0.000 0.584 187 F N -0.548 119.414 119.950 0.019 0.000 2.653 187 F HA 0.452 4.979 4.527 0.000 0.000 0.304 187 F C 1.701 177.530 175.800 0.048 0.000 1.092 187 F CA 0.134 58.138 58.000 0.007 0.000 1.279 187 F CB 0.089 39.067 39.000 -0.036 0.000 1.044 187 F HN 0.030 nan 8.300 nan 0.000 0.564 188 G N 0.390 109.272 108.800 0.137 0.000 2.141 188 G HA2 -0.162 3.798 3.960 0.000 0.000 0.242 188 G HA3 -0.162 3.798 3.960 0.000 0.000 0.242 188 G C 0.525 175.475 174.900 0.083 0.000 0.982 188 G CA -0.234 44.925 45.100 0.099 0.000 0.662 188 G HN 0.727 nan 8.290 nan 0.000 0.527 189 G N -0.567 108.281 108.800 0.080 0.000 2.412 189 G HA2 0.514 4.474 3.960 0.000 0.000 0.318 189 G HA3 0.514 4.474 3.960 0.000 0.000 0.318 189 G C -0.816 174.071 174.900 -0.021 0.000 1.146 189 G CA 0.163 45.291 45.100 0.048 0.000 0.882 189 G HN 0.262 nan 8.290 nan 0.000 0.501 190 D N 1.633 122.021 120.400 -0.021 0.000 2.428 190 D HA 0.278 4.918 4.640 0.000 0.000 0.221 190 D C -0.964 175.295 176.300 -0.068 0.000 1.123 190 D CA -2.405 51.562 54.000 -0.055 0.000 0.869 190 D CB 1.653 42.430 40.800 -0.038 0.000 1.032 190 D HN 0.063 nan 8.370 nan 0.000 0.506 191 P HA -0.155 nan 4.420 nan 0.000 0.226 191 P C 0.631 177.871 177.300 -0.100 0.000 1.146 191 P CA 0.848 63.854 63.100 -0.157 0.000 0.773 191 P CB 0.392 31.878 31.700 -0.356 0.000 0.772 192 K N -0.987 119.362 120.400 -0.085 0.000 2.361 192 K HA 0.082 4.402 4.320 0.000 0.000 0.196 192 K C 0.362 176.945 176.600 -0.029 0.000 1.039 192 K CA 0.724 56.980 56.287 -0.052 0.000 1.001 192 K CB 0.234 32.697 32.500 -0.060 0.000 0.795 192 K HN 0.040 nan 8.250 nan 0.000 0.495 193 T N 1.527 116.066 114.554 -0.025 0.000 3.427 193 T HA 0.247 4.597 4.350 0.000 0.000 0.306 193 T C -0.697 174.007 174.700 0.007 0.000 1.733 193 T CA -0.350 61.736 62.100 -0.022 0.000 1.599 193 T CB 0.725 69.569 68.868 -0.039 0.000 0.964 193 T HN -0.251 nan 8.240 nan 0.000 0.701 194 V N 2.142 122.085 119.914 0.049 0.000 2.435 194 V HA 0.524 4.644 4.120 0.000 0.000 0.290 194 V C 0.324 176.503 176.094 0.140 0.000 1.030 194 V CA -0.487 61.872 62.300 0.099 0.000 0.881 194 V CB 1.829 33.736 31.823 0.140 0.000 0.983 194 V HN 0.568 nan 8.190 nan 0.000 0.445 195 T N 6.260 120.886 114.554 0.120 0.000 2.792 195 T HA 0.598 4.949 4.350 0.000 0.000 0.280 195 T C -0.244 174.569 174.700 0.188 0.000 0.990 195 T CA -0.191 61.991 62.100 0.136 0.000 0.960 195 T CB 0.919 69.809 68.868 0.037 0.000 0.939 195 T HN 0.620 nan 8.240 nan 0.000 0.439 196 I N 1.639 122.306 120.570 0.162 0.000 2.437 196 I HA 0.901 5.071 4.170 0.000 0.000 0.298 196 I C -0.979 175.324 176.117 0.310 0.000 0.984 196 I CA -0.996 60.396 61.300 0.153 0.000 1.214 196 I CB 1.063 38.936 38.000 -0.210 0.000 1.365 196 I HN 0.507 nan 8.210 nan 0.000 0.469 197 F N 2.797 122.757 119.950 0.018 0.000 2.641 197 F HA 0.986 5.513 4.527 0.001 0.000 0.308 197 F C -0.534 175.190 175.800 -0.126 0.000 1.105 197 F CA -1.387 56.653 58.000 0.065 0.000 0.964 197 F CB 1.231 40.395 39.000 0.274 0.000 1.294 197 F HN 0.845 nan 8.300 nan 0.000 0.442 198 G N 1.009 109.615 108.800 -0.324 0.000 2.646 198 G HA2 0.483 4.443 3.960 0.000 0.000 0.291 198 G HA3 0.483 4.443 3.960 0.000 0.000 0.291 198 G C -2.495 172.188 174.900 -0.362 0.000 1.445 198 G CA -0.801 43.700 45.100 -0.999 0.000 0.814 198 G HN 0.850 nan 8.290 nan 0.000 0.495 199 E N 0.551 120.562 120.200 -0.315 0.000 2.191 199 E HA 0.595 4.945 4.350 0.000 0.000 0.274 199 E C 0.910 177.483 176.600 -0.045 0.000 0.948 199 E CA 0.455 56.873 56.400 0.029 0.000 0.802 199 E CB 1.860 31.712 29.700 0.253 0.000 1.137 199 E HN 0.903 nan 8.360 nan 0.000 0.397 200 S N 3.535 119.266 115.700 0.051 0.000 4.155 200 S HA -0.411 4.059 4.470 0.000 0.000 0.552 200 S C 1.526 176.200 174.600 0.122 0.000 1.869 200 S CA 2.616 60.916 58.200 0.166 0.000 4.246 200 S CB -1.671 61.651 63.200 0.204 0.000 0.245 200 S HN 0.938 nan 8.310 nan 0.000 0.461 201 A N 1.366 124.135 122.820 -0.084 0.000 2.015 201 A HA 0.266 4.587 4.320 0.000 0.000 0.219 201 A C 2.521 179.865 177.584 -0.400 0.000 1.163 201 A CA 2.189 53.965 52.037 -0.436 0.000 0.646 201 A CB -1.498 16.947 19.000 -0.924 0.000 0.806 201 A HN 1.552 nan 8.150 nan 0.000 0.448 202 G N -0.536 108.089 108.800 -0.292 0.000 2.402 202 G HA2 0.082 4.043 3.960 0.000 0.000 0.216 202 G HA3 0.082 4.043 3.960 0.000 0.000 0.216 202 G C 1.475 176.202 174.900 -0.287 0.000 1.162 202 G CA 1.124 45.999 45.100 -0.374 0.000 0.777 202 G HN 0.640 nan 8.290 nan 0.000 0.539 203 G N 0.965 109.661 108.800 -0.173 0.000 2.408 203 G HA2 0.113 4.073 3.960 0.000 0.000 0.217 203 G HA3 0.113 4.073 3.960 0.000 0.000 0.217 203 G C 2.006 176.816 174.900 -0.149 0.000 1.150 203 G CA 1.393 46.421 45.100 -0.121 0.000 0.776 203 G HN 0.592 nan 8.290 nan 0.000 0.542 204 A N 0.739 123.496 122.820 -0.104 0.000 1.930 204 A HA 0.066 4.386 4.320 0.000 0.000 0.217 204 A C 2.678 180.219 177.584 -0.072 0.000 1.175 204 A CA 2.108 54.071 52.037 -0.123 0.000 0.627 204 A CB -0.533 18.426 19.000 -0.068 0.000 0.815 204 A HN 0.287 nan 8.150 nan 0.000 0.443 205 S N -0.419 115.254 115.700 -0.046 0.000 2.356 205 S HA -0.140 4.330 4.470 0.000 0.000 0.223 205 S C 1.922 176.477 174.600 -0.075 0.000 1.032 205 S CA 1.433 59.598 58.200 -0.058 0.000 1.005 205 S CB -0.476 62.640 63.200 -0.141 0.000 0.867 205 S HN 0.345 nan 8.310 nan 0.000 0.449 206 V N 1.607 121.464 119.914 -0.095 0.000 2.287 206 V HA -0.194 3.926 4.120 0.000 0.000 0.248 206 V C 2.617 178.662 176.094 -0.082 0.000 1.053 206 V CA 2.064 64.307 62.300 -0.096 0.000 1.027 206 V CB -1.470 30.269 31.823 -0.140 0.000 0.646 206 V HN 0.602 nan 8.190 nan 0.000 0.447 207 G N -0.980 107.725 108.800 -0.157 0.000 2.422 207 G HA2 -0.277 3.683 3.960 0.000 0.000 0.218 207 G HA3 -0.277 3.683 3.960 0.000 0.000 0.218 207 G C 1.601 176.507 174.900 0.009 0.000 1.146 207 G CA 1.124 46.110 45.100 -0.191 0.000 0.769 207 G HN 0.460 nan 8.290 nan 0.000 0.547 208 M N -0.241 119.380 119.600 0.036 0.000 2.175 208 M HA 0.001 4.481 4.480 0.000 0.000 0.264 208 M C 2.316 178.742 176.300 0.211 0.000 1.063 208 M CA 0.921 56.374 55.300 0.254 0.000 1.119 208 M CB -0.311 32.458 32.600 0.281 0.000 1.377 208 M HN 0.185 nan 8.290 nan 0.000 0.415 209 H N -0.081 119.105 119.070 0.193 0.000 2.423 209 H HA 0.014 4.570 4.556 0.000 0.000 0.297 209 H C 2.132 177.629 175.328 0.280 0.000 1.075 209 H CA 1.328 57.468 56.048 0.153 0.000 1.342 209 H CB -0.241 29.495 29.762 -0.043 0.000 1.395 209 H HN 0.409 nan 8.280 nan 0.000 0.530 210 I N 0.553 121.365 120.570 0.403 0.000 2.286 210 I HA -0.239 3.931 4.170 0.000 0.000 0.248 210 I C 2.089 178.443 176.117 0.395 0.000 1.115 210 I CA 0.917 62.510 61.300 0.488 0.000 1.392 210 I CB -0.027 38.191 38.000 0.364 0.000 1.065 210 I HN 0.125 nan 8.210 nan 0.000 0.418 211 L N -0.899 120.527 121.223 0.337 0.000 2.270 211 L HA 0.014 4.354 4.340 0.000 0.000 0.210 211 L C 1.378 178.370 176.870 0.203 0.000 1.104 211 L CA 0.096 55.140 54.840 0.341 0.000 0.804 211 L CB -0.206 42.090 42.059 0.396 0.000 0.937 211 L HN 0.050 nan 8.230 nan 0.000 0.450 212 S N -0.089 115.637 115.700 0.044 0.000 2.499 212 S HA 0.184 4.655 4.470 0.000 0.000 0.275 212 S C -1.547 172.945 174.600 -0.181 0.000 1.257 212 S CA -1.441 56.589 58.200 -0.283 0.000 1.050 212 S CB 1.162 63.777 63.200 -0.975 0.000 0.937 212 S HN -0.109 nan 8.310 nan 0.000 0.490 213 P HA -0.023 nan 4.420 nan 0.000 0.216 213 P C 1.406 178.625 177.300 -0.136 0.000 1.150 213 P CA 0.989 64.021 63.100 -0.113 0.000 0.837 213 P CB -0.059 31.579 31.700 -0.103 0.000 0.786 214 G N -1.471 107.196 108.800 -0.222 0.000 2.598 214 G HA2 -0.131 3.829 3.960 0.000 0.000 0.215 214 G HA3 -0.131 3.829 3.960 0.000 0.000 0.215 214 G C 1.404 176.235 174.900 -0.116 0.000 1.131 214 G CA 0.573 45.564 45.100 -0.182 0.000 0.785 214 G HN 0.228 nan 8.290 nan 0.000 0.539 215 S N -0.580 115.074 115.700 -0.076 0.000 2.506 215 S HA 0.121 4.592 4.470 0.000 0.000 0.219 215 S C 2.178 176.895 174.600 0.195 0.000 1.031 215 S CA -0.429 57.838 58.200 0.113 0.000 0.911 215 S CB 0.214 63.609 63.200 0.326 0.000 0.812 215 S HN 0.332 nan 8.310 nan 0.000 0.497 216 R N 1.917 122.465 120.500 0.081 0.000 2.133 216 R HA -0.118 4.222 4.340 0.000 0.000 0.247 216 R C 0.546 176.671 176.300 -0.292 0.000 1.151 216 R CA 1.582 57.625 56.100 -0.095 0.000 0.971 216 R CB -0.343 29.918 30.300 -0.065 0.000 0.866 216 R HN 0.325 nan 8.270 nan 0.000 0.447 217 D N 0.128 120.431 120.400 -0.162 0.000 2.325 217 D HA 0.036 4.676 4.640 0.000 0.000 0.225 217 D C 1.014 177.242 176.300 -0.120 0.000 1.096 217 D CA 0.446 54.348 54.000 -0.164 0.000 0.844 217 D CB 0.353 41.077 40.800 -0.127 0.000 0.925 217 D HN 0.252 nan 8.370 nan 0.000 0.513 218 L N 0.016 121.216 121.223 -0.038 0.000 2.628 218 L HA 0.182 4.522 4.340 0.000 0.000 0.229 218 L C -0.168 176.869 176.870 0.279 0.000 1.137 218 L CA -0.066 54.831 54.840 0.095 0.000 0.909 218 L CB -0.112 42.002 42.059 0.093 0.000 1.137 218 L HN -0.077 nan 8.230 nan 0.000 0.470 219 F N -4.396 115.569 119.950 0.025 0.000 2.719 219 F HA 0.520 5.047 4.527 0.000 0.000 0.309 219 F C 0.236 176.059 175.800 0.038 0.000 1.138 219 F CA -1.336 56.685 58.000 0.034 0.000 0.943 219 F CB 1.115 40.130 39.000 0.025 0.000 1.304 219 F HN -0.373 nan 8.300 nan 0.000 0.445 220 R N 0.922 121.479 120.500 0.095 0.000 2.074 220 R HA 0.477 4.817 4.340 0.000 0.000 0.218 220 R C -0.121 176.222 176.300 0.071 0.000 1.137 220 R CA 1.063 57.158 56.100 -0.009 0.000 0.998 220 R CB 0.278 30.575 30.300 -0.006 0.000 0.895 220 R HN 0.800 nan 8.270 nan 0.000 0.442 221 R N -1.270 119.362 120.500 0.219 0.000 2.888 221 R HA 0.757 5.097 4.340 0.000 0.000 0.264 221 R C -1.467 175.071 176.300 0.397 0.000 1.045 221 R CA -0.716 55.532 56.100 0.248 0.000 0.962 221 R CB 2.180 32.462 30.300 -0.031 0.000 1.210 221 R HN 0.190 nan 8.270 nan 0.000 0.479 222 A N 1.437 124.487 122.820 0.383 0.000 2.449 222 A HA 0.699 5.019 4.320 0.000 0.000 0.302 222 A C -1.061 176.615 177.584 0.153 0.000 1.048 222 A CA -0.648 51.532 52.037 0.239 0.000 0.708 222 A CB 1.175 20.277 19.000 0.169 0.000 1.274 222 A HN 0.587 nan 8.150 nan 0.000 0.410 223 I N 2.148 122.769 120.570 0.085 0.000 2.418 223 I HA 0.345 4.515 4.170 0.000 0.000 0.287 223 I C -1.454 174.689 176.117 0.044 0.000 1.008 223 I CA -0.619 60.657 61.300 -0.039 0.000 1.104 223 I CB 1.833 39.772 38.000 -0.102 0.000 1.264 223 I HN 0.418 nan 8.210 nan 0.000 0.438 224 L N 6.826 128.043 121.223 -0.010 0.000 2.319 224 L HA 0.427 4.767 4.340 0.000 0.000 0.281 224 L C -0.380 176.546 176.870 0.093 0.000 1.005 224 L CA -0.261 54.577 54.840 -0.003 0.000 0.828 224 L CB 1.404 43.390 42.059 -0.122 0.000 1.227 224 L HN 0.488 nan 8.230 nan 0.000 0.415 225 Q N 2.012 121.924 119.800 0.187 0.000 2.372 225 Q HA 0.463 4.804 4.340 0.000 0.000 0.259 225 Q C 0.014 176.123 176.000 0.182 0.000 0.993 225 Q CA -0.534 55.450 55.803 0.303 0.000 0.854 225 Q CB 1.369 30.398 28.738 0.486 0.000 1.231 225 Q HN 0.647 nan 8.270 nan 0.000 0.462 226 S N 1.036 116.822 115.700 0.143 0.000 3.614 226 S HA -0.161 4.309 4.470 0.000 0.000 0.360 226 S C 0.019 174.727 174.600 0.181 0.000 1.023 226 S CA 0.578 58.871 58.200 0.154 0.000 1.114 226 S CB -1.144 62.167 63.200 0.185 0.000 0.907 226 S HN 0.979 nan 8.310 nan 0.000 0.470 227 G N -0.280 108.578 108.800 0.095 0.000 2.655 227 G HA2 0.616 4.576 3.960 0.000 0.000 0.296 227 G HA3 0.616 4.576 3.960 0.000 0.000 0.296 227 G C -0.977 173.860 174.900 -0.105 0.000 1.485 227 G CA 0.139 45.302 45.100 0.106 0.000 0.869 227 G HN 1.099 nan 8.290 nan 0.000 0.540 228 S N 1.184 116.762 115.700 -0.204 0.000 2.579 228 S HA 0.781 5.252 4.470 0.000 0.000 0.272 228 S C -2.108 172.227 174.600 -0.441 0.000 1.141 228 S CA -1.129 56.799 58.200 -0.454 0.000 0.843 228 S CB 3.019 65.933 63.200 -0.477 0.000 1.122 228 S HN 0.426 nan 8.310 nan 0.000 0.468 229 P HA -0.131 nan 4.420 nan 0.000 0.219 229 P C 0.617 177.709 177.300 -0.347 0.000 1.146 229 P CA 1.322 64.216 63.100 -0.345 0.000 0.808 229 P CB -0.282 31.273 31.700 -0.242 0.000 0.779 230 N N -0.799 117.734 118.700 -0.278 0.000 2.383 230 N HA -0.020 4.721 4.740 0.000 0.000 0.192 230 N C 0.129 175.441 175.510 -0.331 0.000 1.141 230 N CA -0.154 52.764 53.050 -0.220 0.000 0.851 230 N CB -1.283 37.200 38.487 -0.007 0.000 0.976 230 N HN 0.039 nan 8.380 nan 0.000 0.465 231 C N 2.933 121.930 119.300 -0.505 0.000 2.634 231 C HA 0.079 4.539 4.460 0.000 0.000 0.417 231 C C -0.086 174.443 174.990 -0.768 0.000 1.334 231 C CA -0.923 57.673 59.018 -0.703 0.000 1.829 231 C CB 1.149 28.216 27.740 -1.123 0.000 2.665 231 C HN 0.360 nan 8.230 nan 0.000 0.614 232 P HA -0.121 nan 4.420 nan 0.000 0.219 232 P C 1.198 178.275 177.300 -0.371 0.000 1.146 232 P CA 1.927 64.747 63.100 -0.467 0.000 0.808 232 P CB -0.083 31.340 31.700 -0.461 0.000 0.779 233 W N -1.206 119.951 121.300 -0.238 0.000 3.114 233 W HA 0.544 5.204 4.660 0.000 0.000 0.279 233 W C 1.297 177.841 176.519 0.041 0.000 1.277 233 W CA 0.353 57.627 57.345 -0.118 0.000 1.630 233 W CB -1.151 28.248 29.460 -0.102 0.000 1.087 233 W HN -0.123 nan 8.180 nan 0.000 0.637 234 A N 1.481 123.814 122.820 -0.811 0.000 2.167 234 A HA 0.138 4.459 4.320 0.000 0.000 0.214 234 A C 1.053 178.433 177.584 -0.339 0.000 1.151 234 A CA 1.284 52.980 52.037 -0.568 0.000 0.735 234 A CB -0.585 17.863 19.000 -0.919 0.000 0.802 234 A HN 0.264 nan 8.150 nan 0.000 0.467 235 S N -2.141 113.369 115.700 -0.317 0.000 2.611 235 S HA 0.625 5.095 4.470 0.000 0.000 0.268 235 S C -0.811 173.658 174.600 -0.218 0.000 1.156 235 S CA -0.099 57.924 58.200 -0.295 0.000 0.817 235 S CB 1.199 64.177 63.200 -0.369 0.000 1.122 235 S HN 1.367 nan 8.310 nan 0.000 0.466 236 V N -1.056 118.750 119.914 -0.181 0.000 3.160 236 V HA 0.950 5.070 4.120 0.000 0.000 0.310 236 V C 0.116 176.137 176.094 -0.122 0.000 1.181 236 V CA -0.435 61.782 62.300 -0.139 0.000 1.047 236 V CB 1.126 32.880 31.823 -0.114 0.000 1.068 236 V HN 1.555 nan 8.190 nan 0.000 0.441 237 S N 0.506 116.144 115.700 -0.102 0.000 2.632 237 S HA 0.398 4.868 4.470 0.000 0.000 0.267 237 S C 1.320 175.873 174.600 -0.079 0.000 1.276 237 S CA -0.001 58.144 58.200 -0.091 0.000 0.998 237 S CB 1.268 64.424 63.200 -0.074 0.000 0.953 237 S HN 2.128 nan 8.310 nan 0.000 0.547 238 V N -0.952 118.905 119.914 -0.095 0.000 2.407 238 V HA -0.055 4.066 4.120 0.000 0.000 0.248 238 V C 2.578 178.655 176.094 -0.027 0.000 1.055 238 V CA 1.831 64.080 62.300 -0.085 0.000 1.049 238 V CB -2.047 29.660 31.823 -0.194 0.000 0.662 238 V HN 1.013 nan 8.190 nan 0.000 0.455 239 A N 0.609 123.411 122.820 -0.031 0.000 1.902 239 A HA -0.224 4.097 4.320 0.000 0.000 0.217 239 A C 2.221 179.787 177.584 -0.030 0.000 1.181 239 A CA 2.118 54.144 52.037 -0.018 0.000 0.623 239 A CB -0.687 18.302 19.000 -0.019 0.000 0.818 239 A HN 0.667 nan 8.150 nan 0.000 0.443 240 E N 0.027 120.199 120.200 -0.048 0.000 2.106 240 E HA -0.013 4.337 4.350 0.000 0.000 0.192 240 E C 1.962 178.524 176.600 -0.063 0.000 0.984 240 E CA 1.467 57.826 56.400 -0.068 0.000 0.806 240 E CB -0.793 28.855 29.700 -0.086 0.000 0.750 240 E HN 0.388 nan 8.360 nan 0.000 0.458 241 G N 0.739 109.515 108.800 -0.040 0.000 2.440 241 G HA2 -0.352 3.608 3.960 0.000 0.000 0.218 241 G HA3 -0.352 3.608 3.960 0.000 0.000 0.218 241 G C 1.754 176.665 174.900 0.018 0.000 1.154 241 G CA 0.896 45.994 45.100 -0.004 0.000 0.767 241 G HN 0.319 nan 8.290 nan 0.000 0.552 242 R N 0.945 121.451 120.500 0.010 0.000 2.073 242 R HA -0.084 4.256 4.340 0.000 0.000 0.234 242 R C 2.702 179.000 176.300 -0.002 0.000 1.134 242 R CA 1.650 57.758 56.100 0.012 0.000 0.952 242 R CB -0.329 29.982 30.300 0.018 0.000 0.850 242 R HN 0.451 nan 8.270 nan 0.000 0.433 243 R N 0.179 120.668 120.500 -0.020 0.000 2.096 243 R HA -0.085 4.256 4.340 0.000 0.000 0.235 243 R C 2.020 178.300 176.300 -0.034 0.000 1.127 243 R CA 1.560 57.641 56.100 -0.031 0.000 0.968 243 R CB -0.362 29.908 30.300 -0.050 0.000 0.861 243 R HN 0.198 nan 8.270 nan 0.000 0.440 244 R N 0.350 120.822 120.500 -0.046 0.000 2.115 244 R HA 0.021 4.361 4.340 0.000 0.000 0.230 244 R C 2.397 178.748 176.300 0.085 0.000 1.111 244 R CA 1.208 57.273 56.100 -0.059 0.000 0.976 244 R CB -0.248 29.933 30.300 -0.199 0.000 0.870 244 R HN 0.394 nan 8.270 nan 0.000 0.445 245 A N 0.673 123.555 122.820 0.103 0.000 1.872 245 A HA -0.067 4.253 4.320 0.000 0.000 0.214 245 A C 2.325 179.914 177.584 0.010 0.000 1.187 245 A CA 0.997 53.080 52.037 0.078 0.000 0.614 245 A CB -0.426 18.570 19.000 -0.007 0.000 0.826 245 A HN 0.079 nan 8.150 nan 0.000 0.442 246 V N 0.218 120.132 119.914 -0.001 0.000 2.295 246 V HA -0.250 3.870 4.120 0.000 0.000 0.246 246 V C 2.613 178.707 176.094 -0.000 0.000 1.049 246 V CA 2.460 64.755 62.300 -0.009 0.000 1.024 246 V CB -0.718 31.099 31.823 -0.010 0.000 0.648 246 V HN 0.718 nan 8.190 nan 0.000 0.447 247 E N 0.226 120.428 120.200 0.003 0.000 2.118 247 E HA -0.236 4.114 4.350 0.000 0.000 0.195 247 E C 1.902 178.518 176.600 0.026 0.000 0.992 247 E CA 1.262 57.664 56.400 0.004 0.000 0.804 247 E CB -0.418 29.272 29.700 -0.017 0.000 0.741 247 E HN 0.447 nan 8.360 nan 0.000 0.458 248 L N -0.335 120.922 121.223 0.057 0.000 2.046 248 L HA 0.044 4.384 4.340 0.000 0.000 0.208 248 L C 2.145 179.027 176.870 0.020 0.000 1.077 248 L CA 2.326 57.209 54.840 0.071 0.000 0.747 248 L CB -0.964 41.161 42.059 0.110 0.000 0.896 248 L HN 0.232 nan 8.230 nan 0.000 0.432 249 G N -0.980 107.819 108.800 -0.002 0.000 2.408 249 G HA2 -0.284 3.676 3.960 0.000 0.000 0.217 249 G HA3 -0.284 3.676 3.960 0.000 0.000 0.217 249 G C 1.786 176.690 174.900 0.008 0.000 1.150 249 G CA 0.672 45.769 45.100 -0.006 0.000 0.776 249 G HN 0.424 nan 8.290 nan 0.000 0.542 250 R N 0.483 120.989 120.500 0.010 0.000 2.081 250 R HA -0.047 4.293 4.340 0.000 0.000 0.235 250 R C 2.217 178.529 176.300 0.020 0.000 1.131 250 R CA 1.424 57.532 56.100 0.013 0.000 0.960 250 R CB -0.365 29.941 30.300 0.009 0.000 0.856 250 R HN 0.260 nan 8.270 nan 0.000 0.436 251 N N 0.390 119.105 118.700 0.026 0.000 2.289 251 N HA -0.127 4.613 4.740 0.000 0.000 0.184 251 N C 0.839 176.371 175.510 0.036 0.000 1.016 251 N CA 1.020 54.090 53.050 0.034 0.000 0.872 251 N CB 0.119 38.634 38.487 0.046 0.000 0.973 251 N HN 0.308 nan 8.380 nan 0.000 0.433 252 L N 0.845 122.086 121.223 0.030 0.000 2.872 252 L HA 0.214 4.555 4.340 0.000 0.000 0.245 252 L C -0.292 176.594 176.870 0.026 0.000 1.211 252 L CA -0.234 54.624 54.840 0.030 0.000 1.013 252 L CB -0.120 41.956 42.059 0.028 0.000 1.326 252 L HN -0.024 nan 8.230 nan 0.000 0.525 253 N N -0.021 118.694 118.700 0.024 0.000 2.688 253 N HA -0.185 4.555 4.740 0.000 0.000 0.258 253 N C -0.316 175.208 175.510 0.023 0.000 1.016 253 N CA 0.548 53.611 53.050 0.023 0.000 0.747 253 N CB -1.410 37.091 38.487 0.024 0.000 0.895 253 N HN 0.304 nan 8.380 nan 0.000 0.543 254 c N 0.676 119.288 118.600 0.020 0.000 2.351 254 c HA 0.315 4.885 4.570 0.000 0.000 0.359 254 c C 1.199 175.303 174.090 0.023 0.000 1.193 254 c CA -0.972 55.370 56.329 0.022 0.000 2.270 254 c CB 1.370 43.889 42.510 0.015 0.000 2.369 254 c HN 0.442 nan 8.230 nan 0.000 0.553 255 N N 1.760 120.479 118.700 0.032 0.000 2.452 255 N HA 0.152 4.892 4.740 0.000 0.000 0.266 255 N C -0.048 175.475 175.510 0.022 0.000 1.175 255 N CA 0.252 53.320 53.050 0.030 0.000 0.945 255 N CB 0.444 38.955 38.487 0.041 0.000 1.063 255 N HN 0.603 nan 8.380 nan 0.000 0.472 256 L N 2.918 124.150 121.223 0.014 0.000 2.818 256 L HA 0.204 4.545 4.340 0.000 0.000 0.243 256 L C 1.304 178.178 176.870 0.006 0.000 1.185 256 L CA -0.305 54.540 54.840 0.008 0.000 0.988 256 L CB -0.115 41.946 42.059 0.005 0.000 1.292 256 L HN 0.408 nan 8.230 nan 0.000 0.519 257 N N 0.715 119.420 118.700 0.009 0.000 2.223 257 N HA -0.077 4.664 4.740 0.000 0.000 0.185 257 N C 0.750 176.262 175.510 0.004 0.000 1.016 257 N CA 1.012 54.066 53.050 0.006 0.000 0.863 257 N CB 0.196 38.687 38.487 0.007 0.000 0.983 257 N HN 0.467 nan 8.380 nan 0.000 0.429 258 S N -1.553 114.150 115.700 0.005 0.000 2.565 258 S HA 0.320 4.790 4.470 0.000 0.000 0.269 258 S C -0.120 174.481 174.600 0.002 0.000 1.153 258 S CA -0.877 57.324 58.200 0.002 0.000 0.835 258 S CB 1.707 64.908 63.200 0.001 0.000 1.122 258 S HN -0.232 nan 8.310 nan 0.000 0.462 259 D N 1.235 121.633 120.400 -0.003 0.000 2.116 259 D HA -0.114 4.526 4.640 0.000 0.000 0.193 259 D C 1.616 177.920 176.300 0.006 0.000 0.998 259 D CA 1.964 55.959 54.000 -0.008 0.000 0.836 259 D CB -0.238 40.553 40.800 -0.014 0.000 0.951 259 D HN 0.739 nan 8.370 nan 0.000 0.449 260 E N 0.961 121.169 120.200 0.013 0.000 2.058 260 E HA -0.188 4.163 4.350 0.000 0.000 0.194 260 E C 1.841 178.477 176.600 0.060 0.000 0.997 260 E CA 1.332 57.751 56.400 0.031 0.000 0.801 260 E CB -0.059 29.648 29.700 0.013 0.000 0.746 260 E HN 0.394 nan 8.360 nan 0.000 0.450 261 E N -0.457 119.770 120.200 0.045 0.000 2.107 261 E HA -0.150 4.200 4.350 0.000 0.000 0.191 261 E C 2.085 178.739 176.600 0.091 0.000 0.982 261 E CA 0.839 57.282 56.400 0.072 0.000 0.809 261 E CB -0.196 29.528 29.700 0.040 0.000 0.756 261 E HN 0.197 nan 8.360 nan 0.000 0.459 262 L N 1.488 122.738 121.223 0.045 0.000 1.994 262 L HA -0.169 4.172 4.340 0.000 0.000 0.208 262 L C 2.073 178.956 176.870 0.022 0.000 1.071 262 L CA 1.621 56.472 54.840 0.019 0.000 0.745 262 L CB -0.411 41.638 42.059 -0.017 0.000 0.892 262 L HN 0.085 nan 8.230 nan 0.000 0.431 263 I N -0.918 119.668 120.570 0.028 0.000 2.163 263 I HA -0.353 3.817 4.170 0.000 0.000 0.243 263 I C 2.581 178.786 176.117 0.146 0.000 1.085 263 I CA 1.691 63.027 61.300 0.060 0.000 1.347 263 I CB -0.592 37.451 38.000 0.073 0.000 1.044 263 I HN 0.468 nan 8.210 nan 0.000 0.408 264 H N 0.259 119.367 119.070 0.062 0.000 2.352 264 H HA -0.260 4.297 4.556 0.000 0.000 0.299 264 H C 2.404 177.771 175.328 0.065 0.000 1.097 264 H CA 2.234 58.320 56.048 0.062 0.000 1.311 264 H CB -0.403 29.383 29.762 0.039 0.000 1.377 264 H HN 0.476 nan 8.280 nan 0.000 0.504 265 c N -0.042 118.578 118.600 0.034 0.000 2.432 265 c HA -0.098 4.472 4.570 0.000 0.000 0.277 265 c C 2.783 176.863 174.090 -0.016 0.000 1.249 265 c CA 1.129 57.449 56.329 -0.015 0.000 1.725 265 c CB -1.437 41.097 42.510 0.041 0.000 2.028 265 c HN 0.671 nan 8.230 nan 0.000 0.477 266 L N 0.108 121.358 121.223 0.045 0.000 2.201 266 L HA -0.065 4.275 4.340 0.000 0.000 0.212 266 L C 2.864 179.836 176.870 0.171 0.000 1.105 266 L CA 1.279 56.190 54.840 0.118 0.000 0.775 266 L CB -0.626 41.510 42.059 0.128 0.000 0.913 266 L HN 0.354 nan 8.230 nan 0.000 0.440 267 R N -0.447 120.121 120.500 0.113 0.000 2.276 267 R HA -0.067 4.273 4.340 0.000 0.000 0.203 267 R C 1.716 177.979 176.300 -0.062 0.000 1.017 267 R CA 0.415 56.521 56.100 0.011 0.000 1.010 267 R CB 0.103 30.401 30.300 -0.003 0.000 0.900 267 R HN 0.292 nan 8.270 nan 0.000 0.469 268 E N 0.578 120.722 120.200 -0.093 0.000 2.318 268 E HA 0.011 4.361 4.350 0.000 0.000 0.193 268 E C 0.072 176.657 176.600 -0.025 0.000 0.998 268 E CA 0.555 56.902 56.400 -0.089 0.000 0.859 268 E CB 0.272 29.892 29.700 -0.134 0.000 0.812 268 E HN 0.059 nan 8.360 nan 0.000 0.492 269 K N 1.783 122.186 120.400 0.005 0.000 2.326 269 K HA 0.155 4.476 4.320 0.000 0.000 0.275 269 K C 0.307 176.940 176.600 0.055 0.000 1.018 269 K CA -0.045 56.262 56.287 0.034 0.000 0.962 269 K CB 0.717 33.247 32.500 0.050 0.000 0.953 269 K HN -0.086 nan 8.250 nan 0.000 0.475 270 K N 2.924 123.359 120.400 0.058 0.000 2.326 270 K HA 0.041 4.361 4.320 0.000 0.000 0.275 270 K C -1.599 175.077 176.600 0.128 0.000 1.018 270 K CA -1.470 54.857 56.287 0.067 0.000 0.962 270 K CB 0.231 32.761 32.500 0.050 0.000 0.953 270 K HN 0.186 nan 8.250 nan 0.000 0.475 271 P HA -0.285 nan 4.420 nan 0.000 0.219 271 P C 1.125 178.606 177.300 0.303 0.000 1.158 271 P CA 1.363 64.652 63.100 0.315 0.000 0.895 271 P CB 0.238 31.967 31.700 0.048 0.000 0.792 272 Q N -0.210 119.692 119.800 0.170 0.000 2.226 272 Q HA -0.189 4.152 4.340 0.000 0.000 0.204 272 Q C 1.925 178.016 176.000 0.151 0.000 0.975 272 Q CA 1.626 57.522 55.803 0.154 0.000 0.866 272 Q CB -0.739 28.059 28.738 0.100 0.000 0.915 272 Q HN 0.379 nan 8.270 nan 0.000 0.440 273 E N -0.884 119.393 120.200 0.128 0.000 2.072 273 E HA -0.177 4.173 4.350 0.000 0.000 0.191 273 E C 1.690 178.353 176.600 0.105 0.000 0.985 273 E CA 0.995 57.457 56.400 0.104 0.000 0.801 273 E CB -0.045 29.702 29.700 0.079 0.000 0.750 273 E HN 0.224 nan 8.360 nan 0.000 0.452 274 L N 0.814 122.098 121.223 0.103 0.000 1.994 274 L HA -0.174 4.166 4.340 0.000 0.000 0.208 274 L C 2.277 179.194 176.870 0.078 0.000 1.071 274 L CA 1.479 56.338 54.840 0.032 0.000 0.745 274 L CB -0.508 41.482 42.059 -0.115 0.000 0.892 274 L HN 0.155 nan 8.230 nan 0.000 0.431 275 I N -0.498 120.171 120.570 0.167 0.000 2.264 275 I HA -0.326 3.844 4.170 0.000 0.000 0.248 275 I C 1.977 178.255 176.117 0.269 0.000 1.111 275 I CA 1.203 62.648 61.300 0.242 0.000 1.382 275 I CB -0.486 37.709 38.000 0.324 0.000 1.060 275 I HN 0.302 nan 8.210 nan 0.000 0.418 276 D N 0.387 120.922 120.400 0.225 0.000 2.221 276 D HA -0.131 4.510 4.640 0.000 0.000 0.204 276 D C 1.965 178.399 176.300 0.224 0.000 0.982 276 D CA 1.636 55.772 54.000 0.227 0.000 0.857 276 D CB 0.043 40.939 40.800 0.160 0.000 0.934 276 D HN 0.412 nan 8.370 nan 0.000 0.475 277 V N -2.561 117.459 119.914 0.176 0.000 3.578 277 V HA 0.174 4.294 4.120 0.000 0.000 0.290 277 V C 1.855 178.034 176.094 0.142 0.000 1.376 277 V CA 0.072 62.465 62.300 0.154 0.000 1.083 277 V CB 0.358 32.245 31.823 0.107 0.000 0.911 277 V HN -0.064 nan 8.190 nan 0.000 0.433 278 E N 0.951 121.222 120.200 0.119 0.000 2.086 278 E HA -0.300 4.050 4.350 0.000 0.000 0.205 278 E C 1.593 178.094 176.600 -0.165 0.000 1.027 278 E CA 2.903 59.313 56.400 0.017 0.000 0.830 278 E CB -0.273 29.338 29.700 -0.147 0.000 0.751 278 E HN 0.825 nan 8.360 nan 0.000 0.456 279 W N 0.731 122.039 121.300 0.012 0.000 2.611 279 W HA -0.014 4.646 4.660 0.000 0.000 0.251 279 W C 1.701 178.187 176.519 -0.055 0.000 1.265 279 W CA 0.188 57.492 57.345 -0.069 0.000 1.295 279 W CB -0.123 29.267 29.460 -0.118 0.000 1.129 279 W HN 0.102 nan 8.180 nan 0.000 0.630 280 N N 0.232 119.016 118.700 0.141 0.000 2.515 280 N HA -0.085 4.656 4.740 0.000 0.000 0.185 280 N C 1.711 177.227 175.510 0.010 0.000 1.109 280 N CA 1.344 54.443 53.050 0.082 0.000 0.903 280 N CB -0.422 38.115 38.487 0.083 0.000 0.969 280 N HN 0.278 nan 8.380 nan 0.000 0.450 281 V N -2.212 117.673 119.914 -0.047 0.000 3.608 281 V HA 0.225 4.345 4.120 0.000 0.000 0.269 281 V C 0.869 176.860 176.094 -0.171 0.000 1.245 281 V CA -0.047 62.187 62.300 -0.111 0.000 1.138 281 V CB -0.572 31.160 31.823 -0.152 0.000 0.841 281 V HN -0.011 nan 8.190 nan 0.000 0.451 282 L N 2.382 123.516 121.223 -0.147 0.000 2.485 282 L HA 0.179 4.520 4.340 0.000 0.000 0.275 282 L C -0.303 176.440 176.870 -0.211 0.000 1.207 282 L CA -0.758 53.983 54.840 -0.164 0.000 0.855 282 L CB 0.631 42.655 42.059 -0.057 0.000 1.114 282 L HN 0.174 nan 8.230 nan 0.000 0.485 283 P HA -0.032 nan 4.420 nan 0.000 0.229 283 P C -0.371 176.484 177.300 -0.743 0.000 1.160 283 P CA 1.060 63.759 63.100 -0.669 0.000 0.777 283 P CB 0.268 31.355 31.700 -1.021 0.000 0.814 284 F N -1.025 118.924 119.950 -0.002 0.000 2.643 284 F HA 0.379 4.906 4.527 0.000 0.000 0.314 284 F C 0.067 175.874 175.800 0.012 0.000 1.096 284 F CA -1.527 56.479 58.000 0.009 0.000 0.953 284 F CB 0.123 39.134 39.000 0.019 0.000 1.345 284 F HN -0.423 nan 8.300 nan 0.000 0.468 285 D N 1.420 121.959 120.400 0.233 0.000 2.371 285 D HA 0.472 5.112 4.640 0.000 0.000 0.256 285 D C -0.291 176.089 176.300 0.134 0.000 1.193 285 D CA 0.516 54.595 54.000 0.131 0.000 0.881 285 D CB 0.882 41.736 40.800 0.090 0.000 1.143 285 D HN 0.677 nan 8.370 nan 0.000 0.473 286 S N 1.299 117.062 115.700 0.106 0.000 2.672 286 S HA 0.738 5.208 4.470 0.000 0.000 0.271 286 S C -0.680 173.953 174.600 0.055 0.000 1.171 286 S CA -1.027 57.226 58.200 0.088 0.000 0.817 286 S CB 0.838 64.117 63.200 0.133 0.000 1.150 286 S HN 0.410 nan 8.310 nan 0.000 0.478 287 I N -3.006 117.593 120.570 0.048 0.000 2.785 287 I HA 0.818 4.988 4.170 0.000 0.000 0.302 287 I C -0.441 175.684 176.117 0.014 0.000 1.069 287 I CA -1.091 60.240 61.300 0.050 0.000 1.045 287 I CB 1.494 39.553 38.000 0.098 0.000 1.236 287 I HN 0.810 nan 8.210 nan 0.000 0.429 288 F N 2.318 122.086 119.950 -0.303 0.000 3.071 288 F HA -0.169 4.358 4.527 0.000 0.000 0.295 288 F C -0.512 174.729 175.800 -0.932 0.000 0.919 288 F CA 0.560 58.096 58.000 -0.774 0.000 1.050 288 F CB -0.585 37.919 39.000 -0.826 0.000 1.040 288 F HN 0.633 nan 8.300 nan 0.000 0.692 289 R N 0.820 120.858 120.500 -0.769 0.000 2.538 289 R HA 0.555 4.895 4.340 0.000 0.000 0.292 289 R C -1.033 174.846 176.300 -0.702 0.000 1.008 289 R CA -0.518 55.218 56.100 -0.607 0.000 0.896 289 R CB 1.192 31.403 30.300 -0.148 0.000 1.187 289 R HN 0.001 nan 8.270 nan 0.000 0.440 290 F N -0.436 119.602 119.950 0.147 0.000 2.522 290 F HA 0.392 4.919 4.527 0.000 0.000 0.324 290 F C 1.685 177.387 175.800 -0.163 0.000 1.077 290 F CA -0.841 57.163 58.000 0.006 0.000 0.944 290 F CB 1.615 40.721 39.000 0.176 0.000 1.175 290 F HN 0.344 nan 8.300 nan 0.000 0.468 291 S N 0.779 116.325 115.700 -0.257 0.000 2.354 291 S HA -0.086 4.384 4.470 0.000 0.000 0.219 291 S C 0.141 174.282 174.600 -0.765 0.000 1.035 291 S CA 1.332 59.165 58.200 -0.611 0.000 1.037 291 S CB -0.279 62.391 63.200 -0.885 0.000 0.956 291 S HN 0.352 nan 8.310 nan 0.000 0.428 292 F N 1.593 121.537 119.950 -0.010 0.000 2.332 292 F HA 0.545 5.072 4.527 0.000 0.000 0.368 292 F C 0.103 175.900 175.800 -0.005 0.000 1.110 292 F CA -0.934 57.094 58.000 0.047 0.000 1.087 292 F CB 0.983 40.048 39.000 0.108 0.000 1.235 292 F HN -0.057 nan 8.300 nan 0.000 0.470 293 V N 0.886 120.768 119.914 -0.053 0.000 3.158 293 V HA 0.760 4.880 4.120 0.000 0.000 0.311 293 V C -2.888 172.915 176.094 -0.484 0.000 1.181 293 V CA -3.359 58.629 62.300 -0.520 0.000 1.054 293 V CB 1.954 33.633 31.823 -0.241 0.000 1.085 293 V HN 0.260 nan 8.190 nan 0.000 0.446 294 P HA 0.231 nan 4.420 nan 0.000 0.266 294 P C -0.612 176.609 177.300 -0.130 0.000 1.193 294 P CA 0.347 63.263 63.100 -0.307 0.000 0.770 294 P CB 0.414 31.865 31.700 -0.415 0.000 0.836 295 V N 1.027 120.951 119.914 0.017 0.000 2.628 295 V HA 0.448 4.568 4.120 0.000 0.000 0.306 295 V C -0.076 176.060 176.094 0.071 0.000 1.045 295 V CA -0.837 61.462 62.300 -0.001 0.000 0.905 295 V CB 1.831 33.665 31.823 0.018 0.000 0.997 295 V HN 0.212 nan 8.190 nan 0.000 0.436 296 I N 4.950 125.499 120.570 -0.035 0.000 2.293 296 I HA 0.226 4.396 4.170 0.000 0.000 0.299 296 I C 0.782 176.899 176.117 -0.000 0.000 1.153 296 I CA 0.161 61.461 61.300 -0.000 0.000 1.302 296 I CB 0.022 37.945 38.000 -0.128 0.000 1.460 296 I HN 0.971 nan 8.210 nan 0.000 0.552 297 D N 3.383 123.836 120.400 0.087 0.000 2.366 297 D HA 0.067 4.707 4.640 0.000 0.000 0.205 297 D C 1.393 177.687 176.300 -0.009 0.000 1.022 297 D CA 0.827 54.779 54.000 -0.080 0.000 0.868 297 D CB 0.476 41.297 40.800 0.034 0.000 0.953 297 D HN 0.633 nan 8.370 nan 0.000 0.514 298 G N 0.603 109.467 108.800 0.107 0.000 2.175 298 G HA2 -0.328 3.632 3.960 0.000 0.000 0.244 298 G HA3 -0.328 3.632 3.960 0.000 0.000 0.244 298 G C 0.677 175.644 174.900 0.112 0.000 0.982 298 G CA 0.534 45.695 45.100 0.102 0.000 0.641 298 G HN 0.499 nan 8.290 nan 0.000 0.527 299 E N -1.385 118.895 120.200 0.133 0.000 2.476 299 E HA 0.335 4.686 4.350 0.000 0.000 0.193 299 E C 1.811 178.439 176.600 0.047 0.000 0.966 299 E CA -0.152 56.308 56.400 0.100 0.000 1.114 299 E CB 0.103 29.884 29.700 0.135 0.000 1.151 299 E HN 0.307 nan 8.360 nan 0.000 0.487 300 F N 0.351 120.238 119.950 -0.105 0.000 2.259 300 F HA 0.148 4.675 4.527 0.000 0.000 0.298 300 F C -0.040 175.456 175.800 -0.506 0.000 1.088 300 F CA 0.819 58.620 58.000 -0.331 0.000 1.358 300 F CB 0.416 39.136 39.000 -0.468 0.000 1.040 300 F HN -0.099 nan 8.300 nan 0.000 0.505 301 F N 0.912 120.978 119.950 0.195 0.000 2.434 301 F HA 0.376 4.903 4.527 0.000 0.000 0.355 301 F C -1.645 174.185 175.800 0.049 0.000 1.115 301 F CA -2.917 55.149 58.000 0.109 0.000 1.010 301 F CB 0.744 39.819 39.000 0.125 0.000 1.234 301 F HN -0.249 nan 8.300 nan 0.000 0.439 302 P HA -0.142 nan 4.420 nan 0.000 0.215 302 P C 0.438 177.797 177.300 0.098 0.000 1.163 302 P CA 2.033 65.189 63.100 0.092 0.000 0.894 302 P CB 0.163 31.896 31.700 0.054 0.000 0.791 303 T N -6.415 108.206 114.554 0.111 0.000 2.626 303 T HA 0.468 4.819 4.350 0.000 0.000 0.279 303 T C -0.209 174.527 174.700 0.061 0.000 0.983 303 T CA -0.665 61.478 62.100 0.072 0.000 1.059 303 T CB 0.670 69.566 68.868 0.046 0.000 1.396 303 T HN 0.009 nan 8.240 nan 0.000 0.519 304 S N -0.017 115.695 115.700 0.020 0.000 2.566 304 S HA 0.150 4.620 4.470 0.000 0.000 0.280 304 S C 1.457 176.050 174.600 -0.011 0.000 1.343 304 S CA -0.685 57.504 58.200 -0.019 0.000 1.036 304 S CB -0.400 62.789 63.200 -0.018 0.000 0.866 304 S HN 0.649 nan 8.310 nan 0.000 0.526 305 L N 0.621 121.799 121.223 -0.076 0.000 2.079 305 L HA -0.113 4.227 4.340 0.000 0.000 0.210 305 L C 2.916 179.814 176.870 0.046 0.000 1.081 305 L CA 1.922 56.734 54.840 -0.047 0.000 0.752 305 L CB -0.737 41.233 42.059 -0.149 0.000 0.896 305 L HN 0.809 nan 8.230 nan 0.000 0.433 306 E N 0.633 120.859 120.200 0.043 0.000 2.051 306 E HA -0.200 4.150 4.350 0.000 0.000 0.192 306 E C 2.290 178.949 176.600 0.098 0.000 0.991 306 E CA 1.734 58.193 56.400 0.098 0.000 0.799 306 E CB -0.117 29.635 29.700 0.087 0.000 0.748 306 E HN 0.451 nan 8.360 nan 0.000 0.449 307 S N -0.289 115.452 115.700 0.068 0.000 2.399 307 S HA -0.201 4.270 4.470 0.000 0.000 0.231 307 S C 2.100 176.742 174.600 0.069 0.000 1.022 307 S CA 1.468 59.705 58.200 0.060 0.000 0.983 307 S CB -0.404 62.819 63.200 0.038 0.000 0.803 307 S HN 0.277 nan 8.310 nan 0.000 0.480 308 M N 0.713 120.370 119.600 0.096 0.000 2.200 308 M HA 0.102 4.583 4.480 0.000 0.000 0.265 308 M C 2.153 178.591 176.300 0.230 0.000 1.066 308 M CA 1.171 56.551 55.300 0.133 0.000 1.127 308 M CB -0.543 32.168 32.600 0.185 0.000 1.379 308 M HN 0.309 nan 8.290 nan 0.000 0.420 309 L N -0.011 121.358 121.223 0.244 0.000 2.072 309 L HA -0.197 4.143 4.340 0.000 0.000 0.205 309 L C 2.184 179.229 176.870 0.291 0.000 1.079 309 L CA 0.834 55.864 54.840 0.317 0.000 0.752 309 L CB -0.735 41.411 42.059 0.146 0.000 0.906 309 L HN 0.349 nan 8.230 nan 0.000 0.436 310 N N -0.107 118.698 118.700 0.175 0.000 2.106 310 N HA -0.140 4.600 4.740 0.000 0.000 0.188 310 N C 1.977 177.568 175.510 0.136 0.000 1.029 310 N CA 1.763 54.915 53.050 0.170 0.000 0.848 310 N CB -0.346 38.213 38.487 0.119 0.000 1.007 310 N HN 0.313 nan 8.380 nan 0.000 0.423 311 S N -0.615 115.082 115.700 -0.005 0.000 2.561 311 S HA 0.168 4.639 4.470 0.000 0.000 0.225 311 S C 1.415 175.674 174.600 -0.567 0.000 0.977 311 S CA 0.601 58.715 58.200 -0.142 0.000 0.926 311 S CB -0.181 62.953 63.200 -0.110 0.000 0.769 311 S HN 0.461 nan 8.310 nan 0.000 0.533 312 G N 1.806 110.100 108.800 -0.844 0.000 2.153 312 G HA2 -0.308 3.652 3.960 0.000 0.000 0.252 312 G HA3 -0.308 3.652 3.960 0.000 0.000 0.252 312 G C -0.009 173.997 174.900 -1.490 0.000 0.994 312 G CA 0.100 44.031 45.100 -1.948 0.000 0.698 312 G HN 0.688 nan 8.290 nan 0.000 0.521 313 N N 0.683 118.957 118.700 -0.709 0.000 2.895 313 N HA 0.509 5.249 4.740 0.000 0.000 0.277 313 N C -0.048 175.377 175.510 -0.142 0.000 1.185 313 N CA -0.032 52.788 53.050 -0.382 0.000 1.106 313 N CB -0.800 37.596 38.487 -0.151 0.000 1.422 313 N HN 0.729 nan 8.380 nan 0.000 0.521 314 F N -1.103 118.798 119.950 -0.081 0.000 2.858 314 F HA 0.422 4.950 4.527 0.000 0.000 0.319 314 F C -0.440 175.389 175.800 0.048 0.000 1.166 314 F CA -1.482 56.541 58.000 0.039 0.000 0.899 314 F CB 0.616 39.703 39.000 0.145 0.000 1.332 314 F HN -0.120 nan 8.300 nan 0.000 0.461 315 K N 1.434 122.121 120.400 0.478 0.000 2.416 315 K HA 0.241 4.561 4.320 0.000 0.000 0.283 315 K C -1.062 175.815 176.600 0.461 0.000 1.037 315 K CA -0.276 56.199 56.287 0.313 0.000 0.995 315 K CB 0.507 33.133 32.500 0.210 0.000 0.938 315 K HN 0.600 nan 8.250 nan 0.000 0.475 316 K N 2.754 123.292 120.400 0.230 0.000 2.267 316 K HA 0.191 4.511 4.320 0.000 0.000 0.282 316 K C -0.248 176.479 176.600 0.212 0.000 1.078 316 K CA -0.130 56.284 56.287 0.212 0.000 0.903 316 K CB 1.678 34.213 32.500 0.058 0.000 1.111 316 K HN 0.677 nan 8.250 nan 0.000 0.475 317 T N 1.346 116.108 114.554 0.347 0.000 2.630 317 T HA 0.311 4.661 4.350 0.000 0.000 0.300 317 T C -1.471 173.439 174.700 0.350 0.000 1.261 317 T CA -0.696 61.560 62.100 0.262 0.000 1.060 317 T CB 0.569 69.556 68.868 0.199 0.000 1.670 317 T HN 0.361 nan 8.240 nan 0.000 0.473 318 Q N 1.308 121.285 119.800 0.294 0.000 2.241 318 Q HA 0.718 5.059 4.340 0.000 0.000 0.254 318 Q C -0.396 175.913 176.000 0.514 0.000 0.917 318 Q CA -0.429 55.611 55.803 0.395 0.000 0.919 318 Q CB 1.293 30.243 28.738 0.353 0.000 1.237 318 Q HN 0.654 nan 8.270 nan 0.000 0.434 319 I N -0.906 119.891 120.570 0.378 0.000 2.608 319 I HA 0.696 4.867 4.170 0.000 0.000 0.295 319 I C -1.376 174.632 176.117 -0.182 0.000 1.049 319 I CA -1.375 59.998 61.300 0.122 0.000 1.063 319 I CB 1.747 39.673 38.000 -0.124 0.000 1.248 319 I HN 0.534 nan 8.210 nan 0.000 0.424 320 L N 7.333 128.205 121.223 -0.584 0.000 2.381 320 L HA 0.769 5.109 4.340 0.000 0.000 0.274 320 L C -1.212 175.442 176.870 -0.361 0.000 0.988 320 L CA -0.533 53.864 54.840 -0.738 0.000 0.824 320 L CB 1.586 42.668 42.059 -1.628 0.000 1.263 320 L HN 0.834 nan 8.230 nan 0.000 0.410 321 L N 2.352 123.498 121.223 -0.129 0.000 2.600 321 L HA 1.112 5.452 4.340 0.000 0.000 0.257 321 L C -0.750 175.914 176.870 -0.343 0.000 1.048 321 L CA -0.509 54.276 54.840 -0.092 0.000 0.869 321 L CB 1.925 43.922 42.059 -0.104 0.000 1.482 321 L HN 0.657 nan 8.230 nan 0.000 0.408 322 G N -0.117 108.281 108.800 -0.671 0.000 2.488 322 G HA2 0.619 4.579 3.960 0.000 0.000 0.301 322 G HA3 0.619 4.579 3.960 0.000 0.000 0.301 322 G C -1.527 173.051 174.900 -0.536 0.000 1.339 322 G CA -0.005 44.316 45.100 -1.298 0.000 0.803 322 G HN 1.413 nan 8.290 nan 0.000 0.482 323 V N -2.528 117.219 119.914 -0.278 0.000 3.181 323 V HA 0.843 4.963 4.120 0.000 0.000 0.308 323 V C -0.948 175.218 176.094 0.120 0.000 1.214 323 V CA -1.445 60.881 62.300 0.043 0.000 1.053 323 V CB 1.821 33.696 31.823 0.085 0.000 1.069 323 V HN 0.650 nan 8.190 nan 0.000 0.441 324 N N 0.836 119.617 118.700 0.136 0.000 2.489 324 N HA 0.432 5.173 4.740 0.000 0.000 0.284 324 N C 0.637 176.100 175.510 -0.077 0.000 1.158 324 N CA -0.413 52.696 53.050 0.098 0.000 0.965 324 N CB 1.628 40.248 38.487 0.221 0.000 1.195 324 N HN 0.940 nan 8.380 nan 0.000 0.506 325 K N -0.030 120.231 120.400 -0.231 0.000 2.097 325 K HA -0.047 4.273 4.320 0.000 0.000 0.206 325 K C -0.643 176.043 176.600 0.143 0.000 1.049 325 K CA 1.248 57.474 56.287 -0.101 0.000 0.933 325 K CB 0.221 32.674 32.500 -0.078 0.000 0.717 325 K HN 0.518 nan 8.250 nan 0.000 0.442 326 D N 1.302 121.779 120.400 0.129 0.000 2.634 326 D HA 0.036 4.676 4.640 0.000 0.000 0.318 326 D C 0.048 176.459 176.300 0.185 0.000 1.226 326 D CA -0.098 53.993 54.000 0.153 0.000 0.899 326 D CB 1.348 42.209 40.800 0.101 0.000 1.025 326 D HN 0.162 nan 8.370 nan 0.000 0.501 327 E N 0.469 120.806 120.200 0.229 0.000 2.153 327 E HA -0.106 4.244 4.350 0.000 0.000 0.194 327 E C 1.917 178.731 176.600 0.357 0.000 0.988 327 E CA 0.624 57.211 56.400 0.312 0.000 0.811 327 E CB 0.180 30.050 29.700 0.282 0.000 0.746 327 E HN 0.434 nan 8.360 nan 0.000 0.466 328 G N 1.057 110.026 108.800 0.282 0.000 2.744 328 G HA2 -0.134 3.827 3.960 0.000 0.000 0.211 328 G HA3 -0.134 3.827 3.960 0.000 0.000 0.211 328 G C 1.690 176.754 174.900 0.272 0.000 1.146 328 G CA 0.672 45.971 45.100 0.332 0.000 0.787 328 G HN 0.334 nan 8.290 nan 0.000 0.534 329 S N 0.854 116.643 115.700 0.149 0.000 2.374 329 S HA -0.210 4.260 4.470 0.000 0.000 0.227 329 S C 2.045 176.591 174.600 -0.089 0.000 1.037 329 S CA 1.134 59.348 58.200 0.024 0.000 1.024 329 S CB -0.606 62.461 63.200 -0.221 0.000 0.861 329 S HN 0.140 nan 8.310 nan 0.000 0.456 330 F N 2.052 121.818 119.950 -0.306 0.000 2.095 330 F HA 0.022 4.549 4.527 0.000 0.000 0.298 330 F C 1.867 177.362 175.800 -0.508 0.000 1.104 330 F CA 0.785 58.450 58.000 -0.560 0.000 1.232 330 F CB -0.723 37.742 39.000 -0.893 0.000 0.987 330 F HN 0.182 nan 8.300 nan 0.000 0.475 331 F N -0.906 119.062 119.950 0.031 0.000 2.456 331 F HA -0.065 4.462 4.527 0.000 0.000 0.298 331 F C 2.158 177.957 175.800 -0.000 0.000 1.104 331 F CA 0.579 58.556 58.000 -0.037 0.000 1.435 331 F CB -0.918 37.984 39.000 -0.163 0.000 1.078 331 F HN -0.105 nan 8.300 nan 0.000 0.546 332 L N -0.720 120.528 121.223 0.042 0.000 2.072 332 L HA -0.152 4.188 4.340 0.000 0.000 0.205 332 L C 2.438 179.213 176.870 -0.157 0.000 1.079 332 L CA 0.528 55.191 54.840 -0.295 0.000 0.752 332 L CB -0.573 40.921 42.059 -0.942 0.000 0.906 332 L HN 0.156 nan 8.230 nan 0.000 0.436 333 L N -0.999 120.277 121.223 0.088 0.000 2.042 333 L HA -0.256 4.084 4.340 0.000 0.000 0.210 333 L C 2.247 179.274 176.870 0.262 0.000 1.076 333 L CA 2.019 57.046 54.840 0.311 0.000 0.749 333 L CB -0.578 41.678 42.059 0.330 0.000 0.893 333 L HN 0.131 nan 8.230 nan 0.000 0.432 334 Y N -1.103 119.267 120.300 0.115 0.000 2.420 334 Y HA 0.220 4.770 4.550 0.000 0.000 0.292 334 Y C 2.260 178.180 175.900 0.033 0.000 1.119 334 Y CA 0.914 59.062 58.100 0.082 0.000 1.229 334 Y CB -0.131 38.350 38.460 0.036 0.000 1.026 334 Y HN 0.247 nan 8.280 nan 0.000 0.554 335 G N -1.648 107.259 108.800 0.178 0.000 3.443 335 G HA2 0.456 4.416 3.960 0.000 0.000 0.252 335 G HA3 0.456 4.416 3.960 0.000 0.000 0.252 335 G C -0.091 174.873 174.900 0.106 0.000 1.015 335 G CA 0.386 45.551 45.100 0.107 0.000 0.891 335 G HN 0.256 nan 8.290 nan 0.000 0.510 336 A N 1.524 124.431 122.820 0.145 0.000 2.324 336 A HA 0.817 5.137 4.320 0.000 0.000 0.330 336 A C -2.505 175.262 177.584 0.304 0.000 1.165 336 A CA -1.555 50.611 52.037 0.215 0.000 0.813 336 A CB 1.333 20.475 19.000 0.237 0.000 1.197 336 A HN 0.063 nan 8.150 nan 0.000 0.484 337 P HA 0.295 nan 4.420 nan 0.000 0.271 337 P C 0.839 178.153 177.300 0.023 0.000 1.216 337 P CA 1.345 64.506 63.100 0.101 0.000 0.776 337 P CB 1.174 32.903 31.700 0.049 0.000 0.881 338 G N 1.521 110.284 108.800 -0.061 0.000 2.234 338 G HA2 -0.229 3.731 3.960 0.000 0.000 0.235 338 G HA3 -0.229 3.731 3.960 0.000 0.000 0.235 338 G C -0.176 174.485 174.900 -0.399 0.000 0.997 338 G CA -0.430 44.515 45.100 -0.257 0.000 0.623 338 G HN 0.434 nan 8.290 nan 0.000 0.514 339 F N 1.643 121.537 119.950 -0.094 0.000 2.385 339 F HA 0.733 5.261 4.527 0.000 0.000 0.336 339 F C 0.749 176.551 175.800 0.004 0.000 1.100 339 F CA 0.156 58.076 58.000 -0.133 0.000 1.116 339 F CB 2.057 41.022 39.000 -0.058 0.000 1.166 339 F HN 0.172 nan 8.300 nan 0.000 0.511 340 S N 1.831 117.664 115.700 0.222 0.000 2.556 340 S HA 0.272 4.742 4.470 0.000 0.000 0.271 340 S C 0.259 175.099 174.600 0.401 0.000 1.135 340 S CA -0.866 57.485 58.200 0.251 0.000 0.858 340 S CB 1.752 65.018 63.200 0.110 0.000 1.114 340 S HN 0.777 nan 8.310 nan 0.000 0.468 341 K N 1.054 121.615 120.400 0.269 0.000 2.365 341 K HA 0.078 4.398 4.320 0.000 0.000 0.197 341 K C -0.113 176.520 176.600 0.055 0.000 1.042 341 K CA 1.111 57.474 56.287 0.125 0.000 0.987 341 K CB -0.007 32.298 32.500 -0.324 0.000 0.779 341 K HN 0.634 nan 8.250 nan 0.000 0.484 342 D N 0.654 121.089 120.400 0.059 0.000 2.395 342 D HA 0.018 4.659 4.640 0.000 0.000 0.213 342 D C 0.091 176.426 176.300 0.057 0.000 1.110 342 D CA 0.135 54.147 54.000 0.020 0.000 0.835 342 D CB 0.907 41.696 40.800 -0.019 0.000 0.965 342 D HN 0.186 nan 8.370 nan 0.000 0.505 343 S N -0.956 114.809 115.700 0.108 0.000 2.697 343 S HA 0.325 4.796 4.470 0.000 0.000 0.289 343 S C 0.581 175.240 174.600 0.098 0.000 1.149 343 S CA -0.731 57.507 58.200 0.064 0.000 0.850 343 S CB 2.342 65.540 63.200 -0.003 0.000 1.151 343 S HN -0.172 nan 8.310 nan 0.000 0.491 344 E N 0.707 120.919 120.200 0.021 0.000 2.478 344 E HA 0.089 4.439 4.350 0.000 0.000 0.198 344 E C -0.470 175.958 176.600 -0.286 0.000 1.046 344 E CA 0.417 56.817 56.400 0.000 0.000 0.870 344 E CB -0.229 29.475 29.700 0.006 0.000 0.818 344 E HN 0.687 nan 8.360 nan 0.000 0.527 345 S N 1.328 116.816 115.700 -0.352 0.000 3.608 345 S HA -0.177 4.293 4.470 0.000 0.000 0.382 345 S C -0.257 174.022 174.600 -0.534 0.000 0.945 345 S CA 0.620 58.476 58.200 -0.574 0.000 1.256 345 S CB -1.182 61.375 63.200 -1.072 0.000 0.913 345 S HN 0.283 nan 8.310 nan 0.000 0.518 346 K N 0.996 121.201 120.400 -0.325 0.000 2.368 346 K HA 0.243 4.564 4.320 0.000 0.000 0.282 346 K C 0.331 176.747 176.600 -0.306 0.000 1.035 346 K CA -0.138 55.996 56.287 -0.254 0.000 0.973 346 K CB 0.363 32.770 32.500 -0.156 0.000 0.957 346 K HN 0.235 nan 8.250 nan 0.000 0.474 347 I N 3.186 123.580 120.570 -0.292 0.000 2.321 347 I HA 0.029 4.199 4.170 0.000 0.000 0.291 347 I C 1.089 177.125 176.117 -0.135 0.000 0.998 347 I CA -0.223 60.913 61.300 -0.273 0.000 1.227 347 I CB 0.761 38.600 38.000 -0.268 0.000 1.368 347 I HN 0.682 nan 8.210 nan 0.000 0.466 348 S N 6.511 122.144 115.700 -0.111 0.000 2.617 348 S HA 0.172 4.643 4.470 0.000 0.000 0.255 348 S C 1.241 175.833 174.600 -0.012 0.000 1.318 348 S CA -0.219 57.944 58.200 -0.062 0.000 0.978 348 S CB 1.266 64.437 63.200 -0.049 0.000 0.961 348 S HN 0.615 nan 8.310 nan 0.000 0.582 349 R N 0.628 121.122 120.500 -0.010 0.000 2.073 349 R HA -0.001 4.340 4.340 0.000 0.000 0.229 349 R C 2.356 178.724 176.300 0.113 0.000 1.120 349 R CA 2.041 58.154 56.100 0.023 0.000 0.967 349 R CB -1.009 29.293 30.300 0.004 0.000 0.862 349 R HN 0.926 nan 8.270 nan 0.000 0.436 350 E N -0.052 120.190 120.200 0.070 0.000 2.031 350 E HA -0.207 4.143 4.350 0.000 0.000 0.193 350 E C 1.000 177.645 176.600 0.076 0.000 0.994 350 E CA 1.737 58.179 56.400 0.071 0.000 0.800 350 E CB -0.102 29.620 29.700 0.037 0.000 0.752 350 E HN 0.316 nan 8.360 nan 0.000 0.447 351 D N -0.128 120.302 120.400 0.049 0.000 2.178 351 D HA -0.160 4.481 4.640 0.000 0.000 0.201 351 D C 1.622 177.966 176.300 0.073 0.000 0.980 351 D CA 0.656 54.674 54.000 0.030 0.000 0.842 351 D CB -0.383 40.390 40.800 -0.044 0.000 0.948 351 D HN 0.217 nan 8.370 nan 0.000 0.472 352 F N 1.154 121.091 119.950 -0.022 0.000 2.069 352 F HA -0.198 4.329 4.527 0.000 0.000 0.298 352 F C 2.370 178.189 175.800 0.031 0.000 1.113 352 F CA 1.436 59.440 58.000 0.005 0.000 1.214 352 F CB -0.253 38.732 39.000 -0.025 0.000 0.978 352 F HN -0.161 nan 8.300 nan 0.000 0.474 353 M N -0.569 119.137 119.600 0.178 0.000 2.108 353 M HA -0.243 4.238 4.480 0.000 0.000 0.261 353 M C 2.306 178.594 176.300 -0.020 0.000 1.066 353 M CA 1.899 57.249 55.300 0.083 0.000 1.107 353 M CB -0.694 31.995 32.600 0.148 0.000 1.356 353 M HN 0.080 nan 8.290 nan 0.000 0.406 354 S N 0.415 116.116 115.700 0.002 0.000 2.368 354 S HA -0.083 4.387 4.470 0.000 0.000 0.225 354 S C 2.023 176.604 174.600 -0.032 0.000 1.030 354 S CA 1.384 59.583 58.200 -0.003 0.000 0.999 354 S CB -0.767 62.445 63.200 0.021 0.000 0.844 354 S HN 0.697 nan 8.310 nan 0.000 0.459 355 G N 1.247 110.010 108.800 -0.060 0.000 2.446 355 G HA2 -0.199 3.761 3.960 0.000 0.000 0.217 355 G HA3 -0.199 3.761 3.960 0.000 0.000 0.217 355 G C 1.604 176.413 174.900 -0.150 0.000 1.168 355 G CA 1.178 46.234 45.100 -0.072 0.000 0.771 355 G HN 0.535 nan 8.290 nan 0.000 0.551 356 V N 0.174 119.923 119.914 -0.274 0.000 2.667 356 V HA 0.044 4.164 4.120 0.000 0.000 0.252 356 V C 2.498 178.521 176.094 -0.119 0.000 1.065 356 V CA 2.619 64.786 62.300 -0.222 0.000 1.083 356 V CB -0.292 31.371 31.823 -0.266 0.000 0.692 356 V HN 0.292 nan 8.190 nan 0.000 0.468 357 K N 0.251 120.594 120.400 -0.096 0.000 2.025 357 K HA -0.055 4.265 4.320 0.000 0.000 0.207 357 K C 1.836 178.396 176.600 -0.066 0.000 1.049 357 K CA 2.036 58.277 56.287 -0.076 0.000 0.933 357 K CB -0.736 31.735 32.500 -0.047 0.000 0.714 357 K HN 0.445 nan 8.250 nan 0.000 0.438 358 L N 0.798 122.000 121.223 -0.036 0.000 2.131 358 L HA -0.045 4.295 4.340 0.000 0.000 0.210 358 L C 2.090 178.961 176.870 0.001 0.000 1.092 358 L CA 1.570 56.409 54.840 -0.003 0.000 0.759 358 L CB -0.797 41.274 42.059 0.020 0.000 0.903 358 L HN 0.152 nan 8.230 nan 0.000 0.435 359 S N -1.604 114.081 115.700 -0.025 0.000 2.425 359 S HA 0.057 4.527 4.470 0.000 0.000 0.225 359 S C 0.982 175.577 174.600 -0.009 0.000 1.024 359 S CA 0.402 58.594 58.200 -0.013 0.000 0.951 359 S CB 0.267 63.438 63.200 -0.049 0.000 0.796 359 S HN 0.164 nan 8.310 nan 0.000 0.498 360 V N 3.278 123.150 119.914 -0.071 0.000 2.446 360 V HA 0.212 4.332 4.120 0.000 0.000 0.257 360 V C -1.719 174.247 176.094 -0.214 0.000 1.036 360 V CA -1.430 60.779 62.300 -0.151 0.000 1.196 360 V CB 0.578 32.263 31.823 -0.230 0.000 1.446 360 V HN 0.195 nan 8.190 nan 0.000 0.558 361 P HA -0.227 nan 4.420 nan 0.000 0.216 361 P C 1.319 178.185 177.300 -0.723 0.000 1.150 361 P CA 1.834 64.733 63.100 -0.336 0.000 0.843 361 P CB 0.015 31.635 31.700 -0.132 0.000 0.787 362 H N -0.426 118.314 119.070 -0.550 0.000 2.547 362 H HA 0.339 4.895 4.556 0.000 0.000 0.272 362 H C 0.703 175.869 175.328 -0.270 0.000 0.989 362 H CA 0.141 55.921 56.048 -0.446 0.000 1.214 362 H CB -1.073 28.616 29.762 -0.123 0.000 1.389 362 H HN 0.015 nan 8.280 nan 0.000 0.577 363 A N 2.303 124.738 122.820 -0.642 0.000 2.388 363 A HA 0.238 4.558 4.320 0.000 0.000 0.257 363 A C 0.404 177.836 177.584 -0.252 0.000 1.095 363 A CA -0.214 51.563 52.037 -0.434 0.000 0.791 363 A CB 0.163 18.916 19.000 -0.411 0.000 1.029 363 A HN 0.708 nan 8.150 nan 0.000 0.489 364 N N 1.005 119.603 118.700 -0.171 0.000 2.431 364 N HA 0.145 4.885 4.740 0.000 0.000 0.289 364 N C 0.128 175.586 175.510 -0.087 0.000 1.277 364 N CA -0.218 52.767 53.050 -0.109 0.000 0.972 364 N CB 0.279 38.721 38.487 -0.076 0.000 1.143 364 N HN 0.507 nan 8.380 nan 0.000 0.578 365 D N -0.965 119.403 120.400 -0.052 0.000 2.144 365 D HA -0.118 4.522 4.640 0.000 0.000 0.199 365 D C 1.671 177.963 176.300 -0.013 0.000 0.984 365 D CA 0.873 54.856 54.000 -0.028 0.000 0.834 365 D CB -0.125 40.667 40.800 -0.013 0.000 0.955 365 D HN 0.351 nan 8.370 nan 0.000 0.465 366 L N 1.141 122.353 121.223 -0.018 0.000 2.093 366 L HA 0.013 4.353 4.340 0.000 0.000 0.208 366 L C 2.267 179.139 176.870 0.003 0.000 1.085 366 L CA 1.668 56.508 54.840 -0.000 0.000 0.755 366 L CB -0.740 41.312 42.059 -0.012 0.000 0.904 366 L HN -0.007 nan 8.230 nan 0.000 0.435 367 G N -0.702 108.071 108.800 -0.045 0.000 2.408 367 G HA2 -0.196 3.764 3.960 0.000 0.000 0.217 367 G HA3 -0.196 3.764 3.960 0.000 0.000 0.217 367 G C 1.565 176.455 174.900 -0.016 0.000 1.150 367 G CA 0.921 45.980 45.100 -0.068 0.000 0.776 367 G HN 0.415 nan 8.290 nan 0.000 0.542 368 L N 0.490 121.700 121.223 -0.022 0.000 2.093 368 L HA -0.027 4.314 4.340 0.000 0.000 0.208 368 L C 2.421 179.340 176.870 0.082 0.000 1.085 368 L CA 0.974 55.820 54.840 0.011 0.000 0.755 368 L CB -0.338 41.714 42.059 -0.012 0.000 0.904 368 L HN 0.100 nan 8.230 nan 0.000 0.435 369 D N 0.441 120.893 120.400 0.085 0.000 2.144 369 D HA -0.152 4.488 4.640 0.000 0.000 0.199 369 D C 2.235 178.631 176.300 0.160 0.000 0.984 369 D CA 1.506 55.580 54.000 0.124 0.000 0.834 369 D CB 0.050 40.906 40.800 0.092 0.000 0.955 369 D HN 0.317 nan 8.370 nan 0.000 0.465 370 A N 0.867 123.794 122.820 0.177 0.000 1.877 370 A HA -0.133 4.187 4.320 0.000 0.000 0.216 370 A C 2.589 180.328 177.584 0.258 0.000 1.186 370 A CA 1.236 53.438 52.037 0.275 0.000 0.620 370 A CB -0.800 18.445 19.000 0.407 0.000 0.822 370 A HN 0.130 nan 8.150 nan 0.000 0.443 371 V N -0.179 119.899 119.914 0.273 0.000 2.295 371 V HA -0.249 3.871 4.120 0.000 0.000 0.246 371 V C 2.767 178.994 176.094 0.223 0.000 1.049 371 V CA 2.540 64.969 62.300 0.214 0.000 1.024 371 V CB -1.379 30.555 31.823 0.184 0.000 0.648 371 V HN 0.616 nan 8.190 nan 0.000 0.447 372 T N 0.644 115.342 114.554 0.241 0.000 2.684 372 T HA -0.236 4.114 4.350 0.000 0.000 0.267 372 T C 1.900 176.773 174.700 0.288 0.000 1.036 372 T CA 2.070 64.380 62.100 0.350 0.000 1.148 372 T CB -0.426 68.656 68.868 0.356 0.000 0.863 372 T HN 0.315 nan 8.240 nan 0.000 0.436 373 L N 1.256 122.617 121.223 0.231 0.000 2.017 373 L HA -0.063 4.277 4.340 0.000 0.000 0.208 373 L C 2.466 179.353 176.870 0.029 0.000 1.073 373 L CA 1.871 56.835 54.840 0.206 0.000 0.745 373 L CB -0.904 41.245 42.059 0.149 0.000 0.894 373 L HN 0.133 nan 8.230 nan 0.000 0.432 374 Q N -1.530 118.191 119.800 -0.132 0.000 2.291 374 Q HA -0.188 4.153 4.340 0.000 0.000 0.206 374 Q C 0.944 176.659 176.000 -0.474 0.000 0.976 374 Q CA 1.794 57.327 55.803 -0.449 0.000 0.875 374 Q CB -0.158 27.944 28.738 -1.061 0.000 0.927 374 Q HN 0.720 nan 8.270 nan 0.000 0.450 375 Y N -1.632 118.608 120.300 -0.100 0.000 2.557 375 Y HA 0.338 4.888 4.550 0.000 0.000 0.247 375 Y C -0.240 175.613 175.900 -0.077 0.000 1.164 375 Y CA -0.319 57.776 58.100 -0.007 0.000 1.218 375 Y CB 1.157 39.710 38.460 0.155 0.000 1.210 375 Y HN -0.183 nan 8.280 nan 0.000 0.529 376 T N 0.709 115.200 114.554 -0.104 0.000 2.824 376 T HA 0.130 4.480 4.350 0.000 0.000 0.280 376 T C -0.993 173.407 174.700 -0.500 0.000 0.995 376 T CA -0.660 61.157 62.100 -0.473 0.000 1.009 376 T CB 1.325 69.698 68.868 -0.826 0.000 0.955 376 T HN -0.020 nan 8.240 nan 0.000 0.452 377 D N 1.739 121.845 120.400 -0.491 0.000 2.396 377 D HA 0.129 4.769 4.640 0.000 0.000 0.225 377 D C -0.123 175.942 176.300 -0.392 0.000 1.121 377 D CA -0.791 53.024 54.000 -0.309 0.000 0.853 377 D CB 0.474 41.157 40.800 -0.195 0.000 1.043 377 D HN 0.609 nan 8.370 nan 0.000 0.500 378 W N 3.155 124.413 121.300 -0.071 0.000 3.077 378 W HA 0.091 4.752 4.660 0.000 0.000 0.245 378 W C 1.837 178.324 176.519 -0.052 0.000 1.316 378 W CA -0.155 57.152 57.345 -0.064 0.000 1.537 378 W CB 0.056 29.483 29.460 -0.054 0.000 1.131 378 W HN 0.383 nan 8.180 nan 0.000 0.695 379 M N -0.768 118.882 119.600 0.084 0.000 2.502 379 M HA 0.062 4.542 4.480 0.000 0.000 0.243 379 M C 0.068 176.373 176.300 0.008 0.000 1.130 379 M CA 1.028 56.360 55.300 0.053 0.000 1.055 379 M CB 0.326 32.940 32.600 0.024 0.000 1.457 379 M HN -0.228 nan 8.290 nan 0.000 0.488 380 D N 0.153 120.526 120.400 -0.046 0.000 3.671 380 D HA -0.011 4.630 4.640 0.000 0.000 0.291 380 D C 0.270 176.467 176.300 -0.172 0.000 1.373 380 D CA 0.079 54.031 54.000 -0.080 0.000 0.753 380 D CB 0.262 41.018 40.800 -0.074 0.000 1.338 380 D HN 0.227 nan 8.370 nan 0.000 0.690 381 D N -0.867 119.408 120.400 -0.208 0.000 2.350 381 D HA -0.121 4.519 4.640 0.000 0.000 0.216 381 D C 0.494 176.625 176.300 -0.283 0.000 0.968 381 D CA 0.271 54.028 54.000 -0.406 0.000 0.894 381 D CB 0.219 40.714 40.800 -0.510 0.000 0.909 381 D HN 0.146 nan 8.370 nan 0.000 0.520 382 N N 0.518 119.126 118.700 -0.153 0.000 2.251 382 N HA -0.007 4.733 4.740 0.000 0.000 0.217 382 N C -0.379 175.065 175.510 -0.110 0.000 1.124 382 N CA -0.154 52.828 53.050 -0.114 0.000 0.843 382 N CB 0.124 38.577 38.487 -0.057 0.000 1.024 382 N HN 0.385 nan 8.380 nan 0.000 0.501 383 N N 0.016 118.637 118.700 -0.132 0.000 2.401 383 N HA 0.103 4.843 4.740 0.000 0.000 0.255 383 N C 1.403 176.845 175.510 -0.114 0.000 1.110 383 N CA -0.302 52.685 53.050 -0.104 0.000 0.949 383 N CB 0.757 39.187 38.487 -0.096 0.000 1.110 383 N HN 0.028 nan 8.380 nan 0.000 0.490 384 G N 3.640 112.382 108.800 -0.098 0.000 2.448 384 G HA2 -0.190 3.770 3.960 0.000 0.000 0.219 384 G HA3 -0.190 3.770 3.960 0.000 0.000 0.219 384 G C 1.286 176.129 174.900 -0.095 0.000 1.127 384 G CA 0.507 45.542 45.100 -0.108 0.000 0.766 384 G HN 0.658 nan 8.290 nan 0.000 0.552 385 I N -0.105 120.427 120.570 -0.064 0.000 2.286 385 I HA -0.076 4.095 4.170 0.000 0.000 0.245 385 I C 2.730 178.847 176.117 -0.000 0.000 1.104 385 I CA 0.971 62.256 61.300 -0.026 0.000 1.397 385 I CB -0.104 37.894 38.000 -0.004 0.000 1.072 385 I HN 0.114 nan 8.210 nan 0.000 0.417 386 K N 0.544 120.926 120.400 -0.030 0.000 2.148 386 K HA -0.099 4.221 4.320 0.000 0.000 0.204 386 K C 1.834 178.419 176.600 -0.025 0.000 1.050 386 K CA 0.992 57.263 56.287 -0.028 0.000 0.942 386 K CB -0.127 32.323 32.500 -0.083 0.000 0.724 386 K HN 0.275 nan 8.250 nan 0.000 0.446 387 N N 0.987 119.641 118.700 -0.077 0.000 2.188 387 N HA -0.152 4.588 4.740 0.000 0.000 0.184 387 N C 1.746 177.379 175.510 0.205 0.000 1.018 387 N CA 0.916 53.944 53.050 -0.038 0.000 0.858 387 N CB -0.085 38.339 38.487 -0.105 0.000 0.989 387 N HN 0.218 nan 8.380 nan 0.000 0.426 388 R N 1.156 121.713 120.500 0.095 0.000 2.061 388 R HA -0.089 4.251 4.340 0.000 0.000 0.230 388 R C 0.936 177.400 176.300 0.274 0.000 1.140 388 R CA 1.512 57.699 56.100 0.145 0.000 0.940 388 R CB -0.063 30.227 30.300 -0.016 0.000 0.839 388 R HN 0.075 nan 8.270 nan 0.000 0.429 389 D N -0.474 120.056 120.400 0.215 0.000 2.178 389 D HA -0.105 4.536 4.640 0.000 0.000 0.201 389 D C 1.702 178.157 176.300 0.258 0.000 0.980 389 D CA 1.441 55.584 54.000 0.238 0.000 0.842 389 D CB -0.406 40.505 40.800 0.184 0.000 0.948 389 D HN 0.545 nan 8.370 nan 0.000 0.472 390 G N 0.716 109.680 108.800 0.275 0.000 2.402 390 G HA2 -0.198 3.763 3.960 0.000 0.000 0.216 390 G HA3 -0.198 3.763 3.960 0.000 0.000 0.216 390 G C 1.603 176.688 174.900 0.309 0.000 1.162 390 G CA 0.173 45.490 45.100 0.361 0.000 0.777 390 G HN 0.172 nan 8.290 nan 0.000 0.539 391 L N 0.927 122.345 121.223 0.325 0.000 2.056 391 L HA 0.019 4.359 4.340 0.000 0.000 0.207 391 L C 2.312 179.244 176.870 0.104 0.000 1.078 391 L CA 1.847 56.770 54.840 0.139 0.000 0.749 391 L CB -0.561 41.642 42.059 0.239 0.000 0.901 391 L HN 0.150 nan 8.230 nan 0.000 0.433 392 D N -0.608 119.911 120.400 0.199 0.000 2.123 392 D HA -0.209 4.431 4.640 0.000 0.000 0.196 392 D C 1.691 178.081 176.300 0.150 0.000 0.992 392 D CA 1.271 55.385 54.000 0.190 0.000 0.833 392 D CB 0.054 41.023 40.800 0.281 0.000 0.954 392 D HN 0.360 nan 8.370 nan 0.000 0.455 393 D N -0.257 120.244 120.400 0.169 0.000 2.144 393 D HA -0.084 4.557 4.640 0.000 0.000 0.200 393 D C 2.374 178.702 176.300 0.047 0.000 0.978 393 D CA 0.329 54.446 54.000 0.195 0.000 0.833 393 D CB -0.086 40.937 40.800 0.373 0.000 0.961 393 D HN 0.351 nan 8.370 nan 0.000 0.470 394 I N 0.754 121.203 120.570 -0.202 0.000 2.127 394 I HA -0.259 3.912 4.170 0.000 0.000 0.241 394 I C 2.487 178.483 176.117 -0.203 0.000 1.075 394 I CA 0.797 61.899 61.300 -0.330 0.000 1.334 394 I CB -0.195 37.594 38.000 -0.351 0.000 1.040 394 I HN -0.116 nan 8.210 nan 0.000 0.405 395 V N 0.890 120.739 119.914 -0.109 0.000 2.295 395 V HA -0.228 3.892 4.120 0.000 0.000 0.246 395 V C 2.541 178.547 176.094 -0.146 0.000 1.049 395 V CA 2.239 64.483 62.300 -0.093 0.000 1.024 395 V CB -1.464 30.383 31.823 0.040 0.000 0.648 395 V HN 0.592 nan 8.190 nan 0.000 0.447 396 G N -0.521 108.261 108.800 -0.031 0.000 2.402 396 G HA2 -0.214 3.747 3.960 0.000 0.000 0.216 396 G HA3 -0.214 3.747 3.960 0.000 0.000 0.216 396 G C 1.250 176.099 174.900 -0.085 0.000 1.162 396 G CA 0.924 46.024 45.100 -0.001 0.000 0.777 396 G HN 0.491 nan 8.290 nan 0.000 0.539 397 D N -0.117 120.228 120.400 -0.091 0.000 2.084 397 D HA -0.096 4.544 4.640 0.000 0.000 0.194 397 D C 2.102 178.097 176.300 -0.508 0.000 0.990 397 D CA 1.292 55.209 54.000 -0.138 0.000 0.826 397 D CB -0.449 40.423 40.800 0.120 0.000 0.971 397 D HN 0.412 nan 8.370 nan 0.000 0.453 398 H N 0.664 119.108 119.070 -1.043 0.000 2.389 398 H HA 0.041 4.597 4.556 0.000 0.000 0.299 398 H C 1.461 176.410 175.328 -0.632 0.000 1.081 398 H CA 1.542 56.852 56.048 -1.230 0.000 1.345 398 H CB 0.134 28.976 29.762 -1.533 0.000 1.393 398 H HN -0.008 nan 8.280 nan 0.000 0.520 399 N N -0.873 117.386 118.700 -0.736 0.000 2.415 399 N HA 0.017 4.757 4.740 0.000 0.000 0.174 399 N C 1.146 176.425 175.510 -0.385 0.000 1.048 399 N CA 1.012 53.587 53.050 -0.791 0.000 0.895 399 N CB 1.099 38.642 38.487 -1.574 0.000 1.036 399 N HN 0.258 nan 8.380 nan 0.000 0.449 400 V N 0.661 120.425 119.914 -0.250 0.000 3.264 400 V HA 0.165 4.285 4.120 0.000 0.000 0.217 400 V C 2.128 178.210 176.094 -0.020 0.000 1.236 400 V CA -0.086 62.194 62.300 -0.034 0.000 1.287 400 V CB -0.033 31.842 31.823 0.088 0.000 1.241 400 V HN -0.067 nan 8.190 nan 0.000 0.518 401 I N 0.701 121.273 120.570 0.004 0.000 2.091 401 I HA -0.345 3.825 4.170 0.000 0.000 0.239 401 I C 2.570 178.706 176.117 0.032 0.000 1.061 401 I CA 2.126 63.450 61.300 0.041 0.000 1.317 401 I CB -0.473 37.584 38.000 0.096 0.000 1.031 401 I HN 0.415 nan 8.210 nan 0.000 0.401 402 c N 0.437 119.046 118.600 0.015 0.000 2.440 402 c HA -0.020 4.550 4.570 0.000 0.000 0.278 402 c C 0.215 174.344 174.090 0.066 0.000 1.295 402 c CA 0.596 56.972 56.329 0.078 0.000 1.738 402 c CB -1.713 40.886 42.510 0.148 0.000 1.987 402 c HN 0.365 nan 8.230 nan 0.000 0.492 403 P HA -0.075 nan 4.420 nan 0.000 0.219 403 P C 1.722 179.061 177.300 0.066 0.000 1.150 403 P CA 0.998 64.088 63.100 -0.016 0.000 0.814 403 P CB -0.164 31.442 31.700 -0.157 0.000 0.787 404 L N -1.805 119.435 121.223 0.028 0.000 2.056 404 L HA -0.121 4.219 4.340 0.000 0.000 0.207 404 L C 2.040 178.969 176.870 0.098 0.000 1.078 404 L CA 1.565 56.433 54.840 0.045 0.000 0.749 404 L CB -0.491 41.562 42.059 -0.010 0.000 0.901 404 L HN -0.105 nan 8.230 nan 0.000 0.433 405 M N -0.928 118.718 119.600 0.076 0.000 2.159 405 M HA -0.220 4.260 4.480 0.000 0.000 0.263 405 M C 2.257 178.631 176.300 0.124 0.000 1.063 405 M CA 1.625 56.964 55.300 0.065 0.000 1.110 405 M CB -1.596 31.057 32.600 0.089 0.000 1.374 405 M HN 0.428 nan 8.290 nan 0.000 0.411 406 H N -0.161 118.958 119.070 0.082 0.000 2.387 406 H HA -0.176 4.381 4.556 0.000 0.000 0.299 406 H C 1.822 177.207 175.328 0.095 0.000 1.090 406 H CA 1.928 58.031 56.048 0.091 0.000 1.332 406 H CB -0.309 29.504 29.762 0.084 0.000 1.386 406 H HN 0.252 nan 8.280 nan 0.000 0.516 407 F N -0.172 119.749 119.950 -0.049 0.000 2.113 407 F HA -0.136 4.392 4.527 0.000 0.000 0.297 407 F C 2.437 178.166 175.800 -0.117 0.000 1.103 407 F CA 1.364 59.291 58.000 -0.121 0.000 1.248 407 F CB -0.900 38.035 39.000 -0.107 0.000 0.999 407 F HN 0.091 nan 8.300 nan 0.000 0.475 408 V N 1.145 120.990 119.914 -0.114 0.000 2.332 408 V HA -0.312 3.809 4.120 0.000 0.000 0.248 408 V C 2.246 178.218 176.094 -0.204 0.000 1.055 408 V CA 2.406 64.543 62.300 -0.272 0.000 1.038 408 V CB -0.623 30.960 31.823 -0.399 0.000 0.651 408 V HN 0.422 nan 8.190 nan 0.000 0.450 409 N N -0.278 118.370 118.700 -0.087 0.000 2.142 409 N HA -0.113 4.628 4.740 0.000 0.000 0.186 409 N C 1.837 177.328 175.510 -0.031 0.000 1.023 409 N CA 1.056 54.140 53.050 0.056 0.000 0.852 409 N CB -0.211 38.337 38.487 0.103 0.000 0.998 409 N HN 0.392 nan 8.380 nan 0.000 0.424 410 K N 0.619 120.921 120.400 -0.163 0.000 2.025 410 K HA -0.122 4.198 4.320 0.000 0.000 0.207 410 K C 1.984 178.553 176.600 -0.050 0.000 1.049 410 K CA 0.761 56.975 56.287 -0.122 0.000 0.933 410 K CB -0.893 31.471 32.500 -0.227 0.000 0.714 410 K HN 0.285 nan 8.250 nan 0.000 0.438 411 Y N 2.361 122.408 120.300 -0.422 0.000 2.224 411 Y HA -0.208 4.342 4.550 0.000 0.000 0.289 411 Y C 2.119 177.993 175.900 -0.042 0.000 1.146 411 Y CA 1.822 59.667 58.100 -0.426 0.000 1.182 411 Y CB -0.317 37.601 38.460 -0.903 0.000 0.983 411 Y HN 0.046 nan 8.280 nan 0.000 0.524 412 T N 0.782 115.350 114.554 0.022 0.000 2.962 412 T HA -0.134 4.216 4.350 0.000 0.000 0.270 412 T C 1.762 176.444 174.700 -0.029 0.000 1.088 412 T CA 1.082 63.221 62.100 0.065 0.000 1.127 412 T CB -0.083 68.923 68.868 0.229 0.000 0.883 412 T HN 0.271 nan 8.240 nan 0.000 0.493 413 K N 0.632 120.987 120.400 -0.075 0.000 2.057 413 K HA -0.024 4.296 4.320 0.000 0.000 0.207 413 K C 1.491 177.823 176.600 -0.446 0.000 1.049 413 K CA 1.311 57.433 56.287 -0.276 0.000 0.931 413 K CB -0.297 31.977 32.500 -0.377 0.000 0.714 413 K HN 0.441 nan 8.250 nan 0.000 0.440 414 F N 0.296 120.190 119.950 -0.094 0.000 2.717 414 F HA 0.212 4.739 4.527 0.000 0.000 0.297 414 F C 1.642 177.324 175.800 -0.198 0.000 1.113 414 F CA -0.337 57.575 58.000 -0.146 0.000 1.319 414 F CB -0.256 38.616 39.000 -0.214 0.000 1.097 414 F HN -0.076 nan 8.300 nan 0.000 0.595 415 G N 0.051 108.745 108.800 -0.177 0.000 2.716 415 G HA2 -0.094 3.867 3.960 0.000 0.000 0.251 415 G HA3 -0.094 3.867 3.960 0.000 0.000 0.251 415 G C 0.426 175.341 174.900 0.026 0.000 1.224 415 G CA -0.302 44.674 45.100 -0.206 0.000 0.891 415 G HN 0.325 nan 8.290 nan 0.000 0.561 416 N N -0.292 118.485 118.700 0.129 0.000 2.275 416 N HA 0.291 5.031 4.740 0.000 0.000 0.236 416 N C 0.295 175.889 175.510 0.141 0.000 1.154 416 N CA 0.434 53.552 53.050 0.113 0.000 0.866 416 N CB 0.259 38.813 38.487 0.111 0.000 1.093 416 N HN 0.902 nan 8.380 nan 0.000 0.515 417 G N 0.644 109.539 108.800 0.158 0.000 2.404 417 G HA2 -0.032 3.928 3.960 0.000 0.000 0.230 417 G HA3 -0.032 3.928 3.960 0.000 0.000 0.230 417 G C -1.205 173.765 174.900 0.117 0.000 1.516 417 G CA -0.779 44.389 45.100 0.113 0.000 1.026 417 G HN 0.021 nan 8.290 nan 0.000 0.660 418 T N 1.920 116.432 114.554 -0.070 0.000 2.824 418 T HA 0.669 5.020 4.350 0.000 0.000 0.282 418 T C -1.123 173.372 174.700 -0.342 0.000 0.993 418 T CA -0.275 61.788 62.100 -0.061 0.000 0.967 418 T CB 1.163 70.074 68.868 0.071 0.000 0.960 418 T HN 0.408 nan 8.240 nan 0.000 0.441 419 Y N 2.286 122.528 120.300 -0.097 0.000 2.331 419 Y HA 0.653 5.203 4.550 0.000 0.000 0.334 419 Y C -0.396 175.568 175.900 0.107 0.000 0.960 419 Y CA -1.133 56.873 58.100 -0.158 0.000 1.130 419 Y CB 1.453 39.364 38.460 -0.916 0.000 1.164 419 Y HN 0.437 nan 8.280 nan 0.000 0.458 420 L N 5.589 127.176 121.223 0.607 0.000 2.334 420 L HA 0.693 5.033 4.340 0.000 0.000 0.273 420 L C -1.307 176.028 176.870 0.775 0.000 1.013 420 L CA -1.060 54.066 54.840 0.477 0.000 0.816 420 L CB 1.127 43.318 42.059 0.220 0.000 1.278 420 L HN 0.541 nan 8.230 nan 0.000 0.431 421 Y N 2.497 123.105 120.300 0.514 0.000 2.588 421 Y HA 0.700 5.250 4.550 0.000 0.000 0.343 421 Y C -1.933 174.219 175.900 0.420 0.000 1.065 421 Y CA -2.049 56.305 58.100 0.423 0.000 1.038 421 Y CB 1.251 39.920 38.460 0.348 0.000 1.297 421 Y HN 0.523 nan 8.280 nan 0.000 0.467 422 F N 4.288 124.551 119.950 0.522 0.000 2.610 422 F HA 0.485 5.013 4.527 0.000 0.000 0.355 422 F C -1.870 174.217 175.800 0.478 0.000 1.140 422 F CA -1.764 56.457 58.000 0.369 0.000 1.037 422 F CB 0.646 39.814 39.000 0.279 0.000 1.287 422 F HN 0.574 nan 8.300 nan 0.000 0.457 423 F N 7.657 127.657 119.950 0.083 0.000 2.445 423 F HA 0.297 4.824 4.527 0.000 0.000 0.359 423 F C 0.263 175.886 175.800 -0.294 0.000 1.101 423 F CA -0.135 57.864 58.000 -0.003 0.000 1.177 423 F CB 0.607 39.682 39.000 0.125 0.000 1.110 423 F HN 0.552 nan 8.300 nan 0.000 0.522 424 N N 3.270 121.607 118.700 -0.605 0.000 2.466 424 N HA 0.069 4.809 4.740 0.000 0.000 0.272 424 N C -1.253 174.042 175.510 -0.359 0.000 1.455 424 N CA -0.517 52.293 53.050 -0.400 0.000 0.875 424 N CB -0.741 37.657 38.487 -0.148 0.000 1.372 424 N HN 0.635 nan 8.380 nan 0.000 0.492 425 H N 0.690 119.271 119.070 -0.815 0.000 2.519 425 H HA 0.410 4.967 4.556 0.000 0.000 0.316 425 H C -0.354 174.856 175.328 -0.196 0.000 1.065 425 H CA -0.567 55.179 56.048 -0.504 0.000 1.264 425 H CB 0.948 30.307 29.762 -0.672 0.000 1.413 425 H HN 0.108 nan 8.280 nan 0.000 0.465 426 R N 4.449 124.569 120.500 -0.633 0.000 2.210 426 R HA 0.443 4.783 4.340 0.000 0.000 0.338 426 R C -0.469 175.505 176.300 -0.543 0.000 1.062 426 R CA -0.499 55.367 56.100 -0.390 0.000 0.902 426 R CB 0.101 30.277 30.300 -0.207 0.000 1.050 426 R HN 0.830 nan 8.270 nan 0.000 0.461 427 A N 3.116 125.860 122.820 -0.127 0.000 2.587 427 A HA -0.041 4.279 4.320 0.000 0.000 0.235 427 A C 1.291 178.898 177.584 0.038 0.000 1.044 427 A CA 0.623 52.770 52.037 0.183 0.000 0.754 427 A CB 0.272 19.529 19.000 0.429 0.000 0.968 427 A HN 0.998 nan 8.150 nan 0.000 0.509 428 S N 1.212 116.971 115.700 0.098 0.000 2.481 428 S HA -0.140 4.330 4.470 0.000 0.000 0.231 428 S C 0.832 175.404 174.600 -0.045 0.000 0.996 428 S CA 0.967 59.182 58.200 0.024 0.000 0.942 428 S CB -0.395 62.847 63.200 0.070 0.000 0.768 428 S HN 0.948 nan 8.310 nan 0.000 0.520 429 N N 0.711 119.346 118.700 -0.107 0.000 2.273 429 N HA 0.258 4.999 4.740 0.000 0.000 0.231 429 N C -0.175 175.257 175.510 -0.129 0.000 1.134 429 N CA -0.384 52.565 53.050 -0.169 0.000 0.856 429 N CB -0.512 37.777 38.487 -0.330 0.000 1.068 429 N HN 0.362 nan 8.380 nan 0.000 0.510 430 L N 0.895 122.079 121.223 -0.066 0.000 2.483 430 L HA 0.034 4.375 4.340 0.000 0.000 0.276 430 L C 1.357 178.176 176.870 -0.085 0.000 1.213 430 L CA -0.313 54.499 54.840 -0.046 0.000 0.843 430 L CB 1.069 43.104 42.059 -0.040 0.000 1.107 430 L HN 0.157 nan 8.230 nan 0.000 0.487 431 V N -1.557 118.271 119.914 -0.144 0.000 3.621 431 V HA 0.105 4.226 4.120 0.000 0.000 0.285 431 V C 0.275 176.275 176.094 -0.157 0.000 1.346 431 V CA -0.575 61.609 62.300 -0.193 0.000 1.104 431 V CB -0.813 30.795 31.823 -0.359 0.000 0.913 431 V HN 0.572 nan 8.190 nan 0.000 0.432 432 W N 1.979 123.229 121.300 -0.084 0.000 2.303 432 W HA 0.574 5.234 4.660 0.000 0.000 0.334 432 W C -1.808 174.570 176.519 -0.235 0.000 1.197 432 W CA -2.218 55.023 57.345 -0.172 0.000 1.262 432 W CB 0.089 29.331 29.460 -0.363 0.000 1.153 432 W HN -0.044 nan 8.180 nan 0.000 0.596 433 P HA -0.055 nan 4.420 nan 0.000 0.269 433 P C 0.422 177.623 177.300 -0.165 0.000 1.215 433 P CA 0.316 63.371 63.100 -0.076 0.000 0.780 433 P CB 1.046 32.746 31.700 -0.000 0.000 0.898 434 E N 1.557 121.736 120.200 -0.035 0.000 2.097 434 E HA -0.175 4.176 4.350 0.000 0.000 0.196 434 E C 1.887 178.492 176.600 0.009 0.000 1.000 434 E CA 1.668 58.062 56.400 -0.010 0.000 0.804 434 E CB -0.422 29.311 29.700 0.055 0.000 0.740 434 E HN 0.724 nan 8.360 nan 0.000 0.454 435 W N 0.357 121.683 121.300 0.042 0.000 2.341 435 W HA -0.148 4.512 4.660 0.000 0.000 0.283 435 W C 1.534 178.087 176.519 0.056 0.000 1.215 435 W CA 0.572 57.953 57.345 0.061 0.000 1.211 435 W CB -0.806 28.706 29.460 0.087 0.000 1.131 435 W HN -0.001 nan 8.180 nan 0.000 0.552 436 M N 1.332 120.458 119.600 -0.790 0.000 2.476 436 M HA 0.102 4.583 4.480 0.000 0.000 0.262 436 M C 1.736 177.839 176.300 -0.328 0.000 1.079 436 M CA 1.603 56.383 55.300 -0.866 0.000 1.104 436 M CB -0.782 31.136 32.600 -1.137 0.000 1.409 436 M HN 0.162 nan 8.290 nan 0.000 0.467 437 G N 0.445 109.136 108.800 -0.182 0.000 2.574 437 G HA2 -0.288 3.673 3.960 0.000 0.000 0.282 437 G HA3 -0.288 3.673 3.960 0.000 0.000 0.282 437 G C -0.215 174.632 174.900 -0.087 0.000 1.257 437 G CA -0.295 44.759 45.100 -0.076 0.000 0.956 437 G HN 0.204 nan 8.290 nan 0.000 0.560 438 V N 1.896 121.801 119.914 -0.015 0.000 2.341 438 V HA 0.284 4.404 4.120 0.000 0.000 0.248 438 V C 1.253 177.400 176.094 0.087 0.000 1.107 438 V CA 0.272 62.603 62.300 0.052 0.000 1.069 438 V CB -0.584 31.283 31.823 0.074 0.000 1.177 438 V HN 0.520 nan 8.190 nan 0.000 0.492 439 I N 3.975 124.563 120.570 0.030 0.000 2.754 439 I HA 0.103 4.273 4.170 0.000 0.000 0.285 439 I C 1.149 177.460 176.117 0.323 0.000 1.166 439 I CA -0.294 61.047 61.300 0.067 0.000 1.417 439 I CB 0.209 38.068 38.000 -0.235 0.000 1.382 439 I HN 0.599 nan 8.210 nan 0.000 0.588 440 H N 5.162 124.369 119.070 0.229 0.000 3.070 440 H HA -0.010 4.547 4.556 0.000 0.000 0.313 440 H C 1.046 176.491 175.328 0.195 0.000 0.997 440 H CA 1.204 57.374 56.048 0.204 0.000 1.438 440 H CB 0.519 30.384 29.762 0.171 0.000 1.455 440 H HN 0.883 nan 8.280 nan 0.000 0.575 441 G N 4.620 113.252 108.800 -0.279 0.000 2.225 441 G HA2 -0.338 3.623 3.960 0.000 0.000 0.254 441 G HA3 -0.338 3.623 3.960 0.000 0.000 0.254 441 G C 0.537 175.468 174.900 0.052 0.000 0.988 441 G CA 0.422 45.380 45.100 -0.237 0.000 0.625 441 G HN 0.646 nan 8.290 nan 0.000 0.527 442 Y N 1.750 122.163 120.300 0.187 0.000 2.529 442 Y HA 0.165 4.716 4.550 0.000 0.000 0.290 442 Y C 2.476 178.495 175.900 0.199 0.000 1.177 442 Y CA 1.230 59.504 58.100 0.289 0.000 1.305 442 Y CB 0.294 38.957 38.460 0.339 0.000 1.047 442 Y HN 0.545 nan 8.280 nan 0.000 0.522 443 E N 0.230 120.407 120.200 -0.038 0.000 2.371 443 E HA -0.091 4.260 4.350 0.000 0.000 0.194 443 E C 1.692 178.240 176.600 -0.086 0.000 1.012 443 E CA 0.668 56.746 56.400 -0.536 0.000 0.860 443 E CB -0.487 28.591 29.700 -1.037 0.000 0.811 443 E HN 0.519 nan 8.360 nan 0.000 0.502 444 I N 2.575 123.189 120.570 0.073 0.000 2.127 444 I HA -0.313 3.857 4.170 0.000 0.000 0.241 444 I C 2.613 178.814 176.117 0.140 0.000 1.075 444 I CA 2.121 63.520 61.300 0.164 0.000 1.334 444 I CB -0.497 37.657 38.000 0.257 0.000 1.040 444 I HN 0.202 nan 8.210 nan 0.000 0.405 445 E N 0.810 121.045 120.200 0.058 0.000 2.209 445 E HA -0.241 4.109 4.350 0.000 0.000 0.196 445 E C 2.003 178.475 176.600 -0.213 0.000 0.993 445 E CA 1.506 57.852 56.400 -0.092 0.000 0.819 445 E CB -0.513 29.110 29.700 -0.128 0.000 0.745 445 E HN 0.450 nan 8.360 nan 0.000 0.477 446 F N 1.010 120.898 119.950 -0.104 0.000 2.335 446 F HA -0.025 4.502 4.527 0.000 0.000 0.296 446 F C 2.347 177.997 175.800 -0.250 0.000 1.091 446 F CA 0.503 58.403 58.000 -0.166 0.000 1.399 446 F CB -0.108 38.837 39.000 -0.092 0.000 1.067 446 F HN -0.140 nan 8.300 nan 0.000 0.520 447 V N -0.991 118.855 119.914 -0.114 0.000 2.427 447 V HA -0.265 3.855 4.120 0.000 0.000 0.248 447 V C 1.670 177.566 176.094 -0.331 0.000 1.051 447 V CA 1.609 63.694 62.300 -0.358 0.000 1.048 447 V CB -0.623 31.008 31.823 -0.320 0.000 0.666 447 V HN 0.208 nan 8.190 nan 0.000 0.456 448 F N 0.434 120.263 119.950 -0.202 0.000 2.797 448 F HA 0.391 4.919 4.527 0.000 0.000 0.302 448 F C 1.793 177.500 175.800 -0.155 0.000 1.130 448 F CA 0.630 58.531 58.000 -0.165 0.000 1.387 448 F CB -0.296 38.590 39.000 -0.191 0.000 1.107 448 F HN 0.257 nan 8.300 nan 0.000 0.577 449 G N 0.705 109.426 108.800 -0.133 0.000 2.221 449 G HA2 -0.293 3.667 3.960 0.000 0.000 0.265 449 G HA3 -0.293 3.667 3.960 0.000 0.000 0.265 449 G C 1.079 175.679 174.900 -0.500 0.000 1.041 449 G CA 0.388 45.337 45.100 -0.252 0.000 0.807 449 G HN 0.425 nan 8.290 nan 0.000 0.502 450 L N -0.851 120.037 121.223 -0.559 0.000 2.201 450 L HA -0.024 4.316 4.340 0.000 0.000 0.212 450 L C -0.153 176.183 176.870 -0.890 0.000 1.105 450 L CA 1.343 55.761 54.840 -0.702 0.000 0.775 450 L CB -0.877 40.885 42.059 -0.495 0.000 0.913 450 L HN 0.178 nan 8.230 nan 0.000 0.440 451 P HA -0.081 nan 4.420 nan 0.000 0.242 451 P C 1.560 178.546 177.300 -0.523 0.000 1.197 451 P CA 0.890 63.274 63.100 -1.192 0.000 0.765 451 P CB 0.152 31.174 31.700 -1.130 0.000 0.936 452 L N -1.635 119.307 121.223 -0.469 0.000 2.446 452 L HA 0.086 4.427 4.340 0.000 0.000 0.219 452 L C 1.033 177.752 176.870 -0.252 0.000 1.116 452 L CA 0.355 55.020 54.840 -0.290 0.000 0.844 452 L CB -0.192 41.727 42.059 -0.233 0.000 0.970 452 L HN -0.094 nan 8.230 nan 0.000 0.457 453 V N 0.515 120.226 119.914 -0.338 0.000 2.368 453 V HA 0.154 4.274 4.120 0.000 0.000 0.266 453 V C 1.393 177.425 176.094 -0.105 0.000 1.045 453 V CA -0.543 61.628 62.300 -0.215 0.000 0.899 453 V CB 1.129 32.791 31.823 -0.268 0.000 1.006 453 V HN 0.147 nan 8.190 nan 0.000 0.470 454 K N 4.476 124.839 120.400 -0.062 0.000 2.113 454 K HA -0.151 4.169 4.320 0.000 0.000 0.208 454 K C 1.769 178.360 176.600 -0.014 0.000 1.047 454 K CA 1.970 58.242 56.287 -0.026 0.000 0.928 454 K CB -0.116 32.370 32.500 -0.024 0.000 0.716 454 K HN 0.990 nan 8.250 nan 0.000 0.446 455 E N 0.832 121.018 120.200 -0.024 0.000 2.515 455 E HA -0.125 4.226 4.350 0.000 0.000 0.201 455 E C 1.541 178.127 176.600 -0.024 0.000 1.071 455 E CA 0.542 56.927 56.400 -0.025 0.000 0.880 455 E CB -0.300 29.383 29.700 -0.028 0.000 0.828 455 E HN 0.325 nan 8.360 nan 0.000 0.540 456 L N 0.905 122.131 121.223 0.005 0.000 2.592 456 L HA 0.070 4.410 4.340 0.000 0.000 0.227 456 L C -0.180 176.678 176.870 -0.020 0.000 1.127 456 L CA -0.240 54.620 54.840 0.033 0.000 0.884 456 L CB -0.518 41.642 42.059 0.170 0.000 1.065 456 L HN -0.036 nan 8.230 nan 0.000 0.457 457 N N -0.008 118.688 118.700 -0.007 0.000 2.688 457 N HA -0.244 4.497 4.740 0.000 0.000 0.258 457 N C -0.772 174.679 175.510 -0.098 0.000 1.016 457 N CA 1.005 54.025 53.050 -0.050 0.000 0.747 457 N CB -1.474 36.957 38.487 -0.094 0.000 0.895 457 N HN 0.287 nan 8.380 nan 0.000 0.543 458 Y N -0.104 120.164 120.300 -0.055 0.000 2.488 458 Y HA 0.372 4.922 4.550 0.000 0.000 0.325 458 Y C 1.637 177.536 175.900 -0.003 0.000 1.204 458 Y CA -0.467 57.616 58.100 -0.028 0.000 1.229 458 Y CB 0.864 39.274 38.460 -0.083 0.000 1.274 458 Y HN 0.134 nan 8.280 nan 0.000 0.493 459 T N -1.835 112.841 114.554 0.203 0.000 2.849 459 T HA 0.444 4.794 4.350 0.000 0.000 0.284 459 T C 1.137 175.902 174.700 0.108 0.000 1.004 459 T CA -0.247 61.929 62.100 0.127 0.000 1.021 459 T CB 1.316 70.258 68.868 0.123 0.000 1.013 459 T HN 0.766 nan 8.240 nan 0.000 0.527 460 A N 1.090 123.948 122.820 0.064 0.000 1.972 460 A HA -0.075 4.245 4.320 0.000 0.000 0.219 460 A C 2.265 179.870 177.584 0.035 0.000 1.169 460 A CA 1.245 53.304 52.037 0.038 0.000 0.635 460 A CB -0.666 18.348 19.000 0.023 0.000 0.810 460 A HN 0.927 nan 8.150 nan 0.000 0.446 461 E N 0.511 120.737 120.200 0.044 0.000 2.216 461 E HA -0.147 4.203 4.350 0.000 0.000 0.192 461 E C 1.423 178.039 176.600 0.026 0.000 0.988 461 E CA 1.089 57.502 56.400 0.021 0.000 0.834 461 E CB -0.534 29.173 29.700 0.012 0.000 0.772 461 E HN 0.785 nan 8.360 nan 0.000 0.479 462 E N 1.171 121.433 120.200 0.103 0.000 2.107 462 E HA -0.135 4.215 4.350 0.000 0.000 0.191 462 E C 2.070 178.777 176.600 0.178 0.000 0.982 462 E CA 0.778 57.324 56.400 0.244 0.000 0.809 462 E CB -0.005 29.971 29.700 0.461 0.000 0.756 462 E HN 0.347 nan 8.360 nan 0.000 0.459 463 E N 0.761 120.989 120.200 0.048 0.000 2.153 463 E HA -0.187 4.163 4.350 0.000 0.000 0.194 463 E C 1.970 178.558 176.600 -0.021 0.000 0.988 463 E CA 0.879 57.251 56.400 -0.046 0.000 0.811 463 E CB 0.012 29.680 29.700 -0.053 0.000 0.746 463 E HN 0.196 nan 8.360 nan 0.000 0.466 464 A N 1.161 123.981 122.820 -0.001 0.000 1.873 464 A HA -0.145 4.176 4.320 0.000 0.000 0.215 464 A C 2.121 179.698 177.584 -0.012 0.000 1.186 464 A CA 1.157 53.184 52.037 -0.017 0.000 0.616 464 A CB -0.636 18.354 19.000 -0.017 0.000 0.823 464 A HN 0.372 nan 8.150 nan 0.000 0.442 465 L N 0.034 121.267 121.223 0.016 0.000 2.012 465 L HA -0.134 4.206 4.340 0.000 0.000 0.210 465 L C 2.579 179.496 176.870 0.078 0.000 1.073 465 L CA 2.720 57.571 54.840 0.018 0.000 0.748 465 L CB -0.940 41.089 42.059 -0.049 0.000 0.891 465 L HN 0.357 nan 8.230 nan 0.000 0.431 466 S N -0.693 115.118 115.700 0.185 0.000 2.359 466 S HA -0.254 4.217 4.470 0.000 0.000 0.224 466 S C 2.202 176.788 174.600 -0.024 0.000 1.035 466 S CA 1.627 59.898 58.200 0.118 0.000 1.018 466 S CB -0.276 62.896 63.200 -0.046 0.000 0.876 466 S HN 0.559 nan 8.310 nan 0.000 0.448 467 R N 0.742 121.218 120.500 -0.041 0.000 2.091 467 R HA -0.082 4.258 4.340 0.000 0.000 0.238 467 R C 2.673 178.931 176.300 -0.070 0.000 1.136 467 R CA 1.810 57.875 56.100 -0.058 0.000 0.959 467 R CB -0.330 29.930 30.300 -0.067 0.000 0.856 467 R HN 0.624 nan 8.270 nan 0.000 0.437 468 R N 0.225 120.661 120.500 -0.107 0.000 2.153 468 R HA 0.006 4.346 4.340 0.000 0.000 0.218 468 R C 2.004 178.152 176.300 -0.253 0.000 1.072 468 R CA 1.083 57.034 56.100 -0.249 0.000 0.990 468 R CB -0.428 29.693 30.300 -0.299 0.000 0.889 468 R HN 0.192 nan 8.270 nan 0.000 0.452 469 I N 1.425 121.955 120.570 -0.066 0.000 2.163 469 I HA -0.215 3.955 4.170 0.000 0.000 0.240 469 I C 2.621 178.690 176.117 -0.080 0.000 1.081 469 I CA 1.440 62.714 61.300 -0.043 0.000 1.353 469 I CB -0.198 37.632 38.000 -0.284 0.000 1.054 469 I HN 0.145 nan 8.210 nan 0.000 0.407 470 M N -0.492 119.036 119.600 -0.120 0.000 2.108 470 M HA -0.287 4.193 4.480 0.000 0.000 0.261 470 M C 2.450 178.815 176.300 0.108 0.000 1.066 470 M CA 1.876 57.141 55.300 -0.060 0.000 1.107 470 M CB -0.866 31.697 32.600 -0.062 0.000 1.356 470 M HN 0.293 nan 8.290 nan 0.000 0.406 471 H N -0.320 118.744 119.070 -0.009 0.000 2.389 471 H HA -0.149 4.407 4.556 0.000 0.000 0.299 471 H C 1.577 177.006 175.328 0.168 0.000 1.081 471 H CA 1.877 57.934 56.048 0.015 0.000 1.345 471 H CB -0.047 29.661 29.762 -0.091 0.000 1.393 471 H HN 0.282 nan 8.280 nan 0.000 0.520 472 Y N -0.871 119.570 120.300 0.234 0.000 2.145 472 Y HA -0.231 4.319 4.550 0.000 0.000 0.286 472 Y C 2.570 178.667 175.900 0.329 0.000 1.145 472 Y CA 1.120 59.405 58.100 0.308 0.000 1.148 472 Y CB -1.024 37.821 38.460 0.641 0.000 0.981 472 Y HN 0.350 nan 8.280 nan 0.000 0.507 473 W N -0.473 120.925 121.300 0.164 0.000 2.333 473 W HA -0.245 4.415 4.660 0.000 0.000 0.316 473 W C 2.585 179.101 176.519 -0.005 0.000 1.215 473 W CA 1.156 58.529 57.345 0.047 0.000 1.278 473 W CB -0.495 28.943 29.460 -0.037 0.000 1.154 473 W HN 0.058 nan 8.180 nan 0.000 0.486 474 A N -0.114 122.820 122.820 0.189 0.000 1.898 474 A HA -0.150 4.170 4.320 0.000 0.000 0.216 474 A C 1.811 179.374 177.584 -0.035 0.000 1.181 474 A CA 2.166 54.224 52.037 0.034 0.000 0.620 474 A CB -1.170 17.844 19.000 0.024 0.000 0.819 474 A HN 0.204 nan 8.150 nan 0.000 0.442 475 T N -0.705 113.790 114.554 -0.098 0.000 2.777 475 T HA -0.104 4.246 4.350 0.000 0.000 0.266 475 T C 1.602 176.241 174.700 -0.101 0.000 1.040 475 T CA 1.501 63.507 62.100 -0.157 0.000 1.141 475 T CB -0.384 68.318 68.868 -0.278 0.000 0.868 475 T HN 0.510 nan 8.240 nan 0.000 0.444 476 F N 2.480 122.321 119.950 -0.182 0.000 2.102 476 F HA -0.001 4.526 4.527 0.000 0.000 0.298 476 F C 2.449 178.146 175.800 -0.172 0.000 1.105 476 F CA 1.057 58.908 58.000 -0.249 0.000 1.239 476 F CB -0.762 38.018 39.000 -0.366 0.000 0.991 476 F HN 0.136 nan 8.300 nan 0.000 0.474 477 A N 0.423 123.107 122.820 -0.227 0.000 1.940 477 A HA -0.235 4.086 4.320 0.000 0.000 0.219 477 A C 2.204 179.630 177.584 -0.264 0.000 1.176 477 A CA 2.068 53.944 52.037 -0.268 0.000 0.631 477 A CB -0.713 18.226 19.000 -0.102 0.000 0.814 477 A HN 0.547 nan 8.150 nan 0.000 0.446 478 K N -1.337 118.945 120.400 -0.196 0.000 2.228 478 K HA -0.028 4.292 4.320 0.000 0.000 0.202 478 K C 1.586 178.086 176.600 -0.167 0.000 1.051 478 K CA 1.517 57.718 56.287 -0.144 0.000 0.960 478 K CB 0.021 32.467 32.500 -0.091 0.000 0.743 478 K HN 0.701 nan 8.250 nan 0.000 0.458 479 T N -5.107 109.307 114.554 -0.233 0.000 3.046 479 T HA 0.229 4.579 4.350 0.000 0.000 0.270 479 T C 1.186 175.732 174.700 -0.256 0.000 0.920 479 T CA 0.344 62.328 62.100 -0.194 0.000 0.874 479 T CB 1.034 69.831 68.868 -0.119 0.000 1.214 479 T HN 0.220 nan 8.240 nan 0.000 0.536 480 G N 1.660 110.150 108.800 -0.517 0.000 2.141 480 G HA2 -0.188 3.772 3.960 0.000 0.000 0.242 480 G HA3 -0.188 3.772 3.960 0.000 0.000 0.242 480 G C -0.209 174.592 174.900 -0.165 0.000 0.982 480 G CA 0.071 44.833 45.100 -0.563 0.000 0.662 480 G HN 0.877 nan 8.290 nan 0.000 0.527 481 N N -0.284 118.303 118.700 -0.188 0.000 2.519 481 N HA 0.389 5.129 4.740 0.000 0.000 0.291 481 N C -1.824 173.537 175.510 -0.248 0.000 1.107 481 N CA -1.330 51.581 53.050 -0.232 0.000 0.904 481 N CB 2.384 40.841 38.487 -0.051 0.000 1.500 481 N HN -0.056 nan 8.380 nan 0.000 0.510 482 P HA -0.028 nan 4.420 nan 0.000 0.230 482 P C -0.544 176.818 177.300 0.104 0.000 1.158 482 P CA 0.549 63.544 63.100 -0.175 0.000 0.769 482 P CB 0.297 31.686 31.700 -0.519 0.000 0.807 483 N N 1.221 119.947 118.700 0.042 0.000 2.456 483 N HA 0.159 4.899 4.740 0.000 0.000 0.288 483 N C -0.056 175.525 175.510 0.119 0.000 1.059 483 N CA -0.256 52.901 53.050 0.177 0.000 0.946 483 N CB 1.320 39.920 38.487 0.189 0.000 1.150 483 N HN 0.121 nan 8.380 nan 0.000 0.479 484 E N 1.950 122.244 120.200 0.157 0.000 2.229 484 E HA 0.261 4.612 4.350 0.000 0.000 0.283 484 E C -1.772 174.896 176.600 0.112 0.000 1.030 484 E CA -1.361 55.116 56.400 0.128 0.000 0.836 484 E CB 0.767 30.583 29.700 0.193 0.000 1.068 484 E HN 0.320 nan 8.360 nan 0.000 0.401 491 K N 1.935 122.447 120.400 0.187 0.000 2.249 491 K HA 0.210 4.531 4.320 0.000 0.000 0.280 491 K C -0.234 176.549 176.600 0.305 0.000 1.033 491 K CA -0.440 55.995 56.287 0.246 0.000 0.946 491 K CB 0.517 33.139 32.500 0.202 0.000 1.005 491 K HN 0.680 nan 8.250 nan 0.000 0.469 492 W N 6.209 127.593 121.300 0.140 0.000 2.481 492 W HA 0.195 4.856 4.660 0.000 0.000 0.320 492 W C -2.346 174.316 176.519 0.238 0.000 1.209 492 W CA -2.699 54.724 57.345 0.129 0.000 1.400 492 W CB -0.255 29.208 29.460 0.004 0.000 1.361 492 W HN 0.354 nan 8.180 nan 0.000 0.456 493 P HA -0.068 nan 4.420 nan 0.000 0.267 493 P C -0.431 177.104 177.300 0.391 0.000 1.200 493 P CA -0.168 63.167 63.100 0.391 0.000 0.772 493 P CB 0.610 32.452 31.700 0.236 0.000 0.855 494 L N 4.611 125.911 121.223 0.128 0.000 2.319 494 L HA 0.343 4.684 4.340 0.000 0.000 0.280 494 L C -0.558 176.310 176.870 -0.003 0.000 1.099 494 L CA -0.392 54.338 54.840 -0.183 0.000 0.828 494 L CB -0.558 41.401 42.059 -0.167 0.000 1.150 494 L HN 0.168 nan 8.230 nan 0.000 0.442 495 F N 4.905 124.778 119.950 -0.129 0.000 2.456 495 F HA 0.485 5.012 4.527 0.000 0.000 0.358 495 F C 0.376 176.159 175.800 -0.028 0.000 1.095 495 F CA 0.127 58.130 58.000 0.005 0.000 1.216 495 F CB 0.586 39.621 39.000 0.058 0.000 1.125 495 F HN 0.702 nan 8.300 nan 0.000 0.549 496 T N 1.108 115.369 114.554 -0.488 0.000 2.916 496 T HA 0.279 4.629 4.350 0.000 0.000 0.292 496 T C 0.796 175.219 174.700 -0.461 0.000 1.055 496 T CA -0.406 61.513 62.100 -0.302 0.000 1.009 496 T CB 1.477 70.237 68.868 -0.181 0.000 1.118 496 T HN 0.528 nan 8.240 nan 0.000 0.497 497 T N 0.723 115.167 114.554 -0.184 0.000 2.759 497 T HA -0.090 4.260 4.350 0.000 0.000 0.269 497 T C 1.733 176.343 174.700 -0.150 0.000 1.042 497 T CA 1.649 63.677 62.100 -0.119 0.000 1.140 497 T CB -0.281 68.554 68.868 -0.056 0.000 0.864 497 T HN 0.663 nan 8.240 nan 0.000 0.455 498 K N 1.047 121.357 120.400 -0.150 0.000 2.029 498 K HA 0.061 4.382 4.320 0.000 0.000 0.205 498 K C 2.247 178.765 176.600 -0.136 0.000 1.042 498 K CA 1.221 57.440 56.287 -0.113 0.000 0.949 498 K CB -0.207 32.243 32.500 -0.083 0.000 0.740 498 K HN 0.076 nan 8.250 nan 0.000 0.442 499 E N 0.480 120.574 120.200 -0.177 0.000 2.076 499 E HA 0.018 4.368 4.350 0.000 0.000 0.190 499 E C -0.336 176.130 176.600 -0.223 0.000 0.979 499 E CA 0.642 56.948 56.400 -0.157 0.000 0.807 499 E CB 0.274 29.900 29.700 -0.123 0.000 0.761 499 E HN 0.285 nan 8.360 nan 0.000 0.454 500 Q N 0.109 119.597 119.800 -0.519 0.000 2.463 500 Q HA -0.225 4.115 4.340 0.000 0.000 0.299 500 Q C -0.899 175.026 176.000 -0.125 0.000 1.353 500 Q CA 0.502 55.816 55.803 -0.816 0.000 0.828 500 Q CB -1.532 27.008 28.738 -0.329 0.000 1.157 500 Q HN 0.176 nan 8.270 nan 0.000 0.436 501 K N 0.577 120.949 120.400 -0.046 0.000 2.154 501 K HA 0.623 4.943 4.320 0.000 0.000 0.264 501 K C -0.022 176.864 176.600 0.477 0.000 1.008 501 K CA 0.003 56.390 56.287 0.166 0.000 0.937 501 K CB 0.549 33.092 32.500 0.073 0.000 1.002 501 K HN 0.229 nan 8.250 nan 0.000 0.469 502 F N -0.145 119.970 119.950 0.275 0.000 2.713 502 F HA 0.565 5.093 4.527 0.000 0.000 0.311 502 F C -1.260 174.644 175.800 0.173 0.000 1.141 502 F CA -1.480 56.706 58.000 0.311 0.000 0.939 502 F CB 0.769 39.969 39.000 0.333 0.000 1.325 502 F HN 0.437 nan 8.300 nan 0.000 0.453 503 I N -0.283 120.413 120.570 0.210 0.000 2.797 503 I HA 0.689 4.859 4.170 0.000 0.000 0.307 503 I C -1.196 175.088 176.117 0.278 0.000 1.033 503 I CA -0.794 60.476 61.300 -0.050 0.000 1.071 503 I CB 1.933 39.671 38.000 -0.438 0.000 1.255 503 I HN 0.470 nan 8.210 nan 0.000 0.445 504 D N 3.304 123.838 120.400 0.223 0.000 2.264 504 D HA 0.534 5.174 4.640 0.000 0.000 0.249 504 D C -0.961 175.425 176.300 0.144 0.000 1.070 504 D CA 0.125 54.336 54.000 0.352 0.000 0.912 504 D CB 1.830 42.836 40.800 0.344 0.000 1.193 504 D HN 0.310 nan 8.370 nan 0.000 0.427 505 L N 3.247 124.545 121.223 0.124 0.000 2.366 505 L HA 0.367 4.708 4.340 0.000 0.000 0.266 505 L C -0.882 175.860 176.870 -0.213 0.000 1.010 505 L CA -0.397 54.447 54.840 0.006 0.000 0.879 505 L CB -0.008 42.134 42.059 0.138 0.000 1.228 505 L HN 0.528 nan 8.230 nan 0.000 0.439 506 N N -0.876 117.725 118.700 -0.164 0.000 3.277 506 N HA 0.328 5.069 4.740 0.000 0.000 0.278 506 N C 0.598 175.997 175.510 -0.185 0.000 1.544 506 N CA -0.179 52.724 53.050 -0.245 0.000 0.869 506 N CB 0.356 38.767 38.487 -0.127 0.000 1.584 506 N HN 0.073 nan 8.380 nan 0.000 0.564 507 T N -3.195 111.228 114.554 -0.218 0.000 2.915 507 T HA -0.016 4.334 4.350 0.000 0.000 0.269 507 T C 0.276 174.945 174.700 -0.052 0.000 1.071 507 T CA 0.891 62.902 62.100 -0.148 0.000 1.132 507 T CB -0.527 68.257 68.868 -0.140 0.000 0.878 507 T HN 0.536 nan 8.240 nan 0.000 0.479 508 E N 2.193 122.379 120.200 -0.023 0.000 2.391 508 E HA 0.270 4.621 4.350 0.000 0.000 0.255 508 E C -2.467 174.137 176.600 0.006 0.000 1.187 508 E CA -2.075 54.328 56.400 0.004 0.000 0.941 508 E CB -0.035 29.680 29.700 0.024 0.000 1.010 508 E HN 0.232 nan 8.360 nan 0.000 0.458 509 P HA -0.068 nan 4.420 nan 0.000 0.268 509 P C -0.400 176.907 177.300 0.012 0.000 1.205 509 P CA 0.271 63.380 63.100 0.015 0.000 0.771 509 P CB 0.392 32.100 31.700 0.013 0.000 0.858 510 M N 3.540 123.152 119.600 0.019 0.000 2.290 510 M HA -0.028 4.452 4.480 0.000 0.000 0.356 510 M C -0.293 175.975 176.300 -0.052 0.000 1.448 510 M CA 0.943 56.242 55.300 -0.002 0.000 0.993 510 M CB 0.044 32.660 32.600 0.027 0.000 1.934 510 M HN 0.146 nan 8.290 nan 0.000 0.461 511 K N 4.600 124.938 120.400 -0.103 0.000 2.270 511 K HA 0.510 4.830 4.320 0.000 0.000 0.255 511 K C -1.369 174.969 176.600 -0.438 0.000 0.936 511 K CA -0.650 55.487 56.287 -0.250 0.000 0.809 511 K CB 2.224 34.578 32.500 -0.245 0.000 1.131 511 K HN 0.541 nan 8.250 nan 0.000 0.427 512 V N 4.703 124.330 119.914 -0.479 0.000 2.394 512 V HA 0.293 4.414 4.120 0.000 0.000 0.282 512 V C 0.105 175.778 176.094 -0.703 0.000 1.031 512 V CA -0.561 61.458 62.300 -0.468 0.000 0.881 512 V CB 0.968 32.659 31.823 -0.220 0.000 0.982 512 V HN 0.647 nan 8.190 nan 0.000 0.451 513 H N 3.359 122.067 119.070 -0.602 0.000 2.824 513 H HA 0.676 5.233 4.556 0.000 0.000 0.345 513 H C -0.968 174.084 175.328 -0.461 0.000 1.252 513 H CA -0.839 54.839 56.048 -0.618 0.000 1.246 513 H CB 2.142 31.339 29.762 -0.942 0.000 1.908 513 H HN 0.566 nan 8.280 nan 0.000 0.601 514 Q N 0.388 120.208 119.800 0.034 0.000 2.379 514 Q HA 0.356 4.697 4.340 0.000 0.000 0.278 514 Q C -0.744 175.458 176.000 0.338 0.000 1.068 514 Q CA -0.926 54.993 55.803 0.194 0.000 0.816 514 Q CB 3.012 31.796 28.738 0.077 0.000 1.387 514 Q HN 0.487 nan 8.270 nan 0.000 0.413 515 R N 0.871 121.588 120.500 0.361 0.000 2.994 515 R HA -0.199 4.141 4.340 0.000 0.000 0.267 515 R C -0.636 175.815 176.300 0.252 0.000 0.914 515 R CA -0.168 56.099 56.100 0.277 0.000 0.668 515 R CB -1.485 28.916 30.300 0.169 0.000 1.524 515 R HN 0.489 nan 8.270 nan 0.000 0.478 516 L N 2.680 123.998 121.223 0.158 0.000 2.584 516 L HA 0.010 4.350 4.340 0.000 0.000 0.272 516 L C 0.902 177.746 176.870 -0.043 0.000 1.195 516 L CA 0.544 55.276 54.840 -0.179 0.000 0.920 516 L CB -0.022 41.656 42.059 -0.635 0.000 1.173 516 L HN 0.472 nan 8.230 nan 0.000 0.489 517 R N 2.628 123.106 120.500 -0.036 0.000 3.211 517 R HA -0.216 4.124 4.340 0.000 0.000 0.240 517 R C 1.248 177.609 176.300 0.101 0.000 0.915 517 R CA 0.659 56.783 56.100 0.040 0.000 0.621 517 R CB -1.665 28.675 30.300 0.067 0.000 1.008 517 R HN 0.694 nan 8.270 nan 0.000 0.471 518 V N 0.331 120.305 119.914 0.101 0.000 2.407 518 V HA -0.329 3.792 4.120 0.000 0.000 0.248 518 V C 2.320 178.488 176.094 0.122 0.000 1.055 518 V CA 2.547 64.920 62.300 0.122 0.000 1.049 518 V CB -0.027 31.864 31.823 0.113 0.000 0.662 518 V HN 0.511 nan 8.190 nan 0.000 0.455 519 Q N -0.671 119.183 119.800 0.090 0.000 2.020 519 Q HA -0.188 4.153 4.340 0.000 0.000 0.202 519 Q C 2.119 178.184 176.000 0.108 0.000 0.982 519 Q CA 2.407 58.250 55.803 0.066 0.000 0.838 519 Q CB -0.344 28.400 28.738 0.010 0.000 0.899 519 Q HN 0.528 nan 8.270 nan 0.000 0.423 520 M N -0.968 118.719 119.600 0.144 0.000 2.175 520 M HA -0.128 4.352 4.480 0.000 0.000 0.264 520 M C 2.339 178.934 176.300 0.491 0.000 1.063 520 M CA 0.897 56.366 55.300 0.282 0.000 1.119 520 M CB -1.206 31.618 32.600 0.373 0.000 1.377 520 M HN 0.327 nan 8.290 nan 0.000 0.415 521 c N -0.320 118.505 118.600 0.375 0.000 2.448 521 c HA -0.025 4.546 4.570 0.000 0.000 0.280 521 c C 2.939 177.217 174.090 0.313 0.000 1.398 521 c CA 0.218 56.773 56.329 0.376 0.000 1.774 521 c CB -0.904 41.763 42.510 0.262 0.000 1.888 521 c HN 0.321 nan 8.230 nan 0.000 0.519 522 V N 0.458 120.524 119.914 0.253 0.000 2.427 522 V HA -0.203 3.918 4.120 0.000 0.000 0.248 522 V C 2.039 178.271 176.094 0.231 0.000 1.051 522 V CA 2.110 64.533 62.300 0.205 0.000 1.048 522 V CB -0.774 31.140 31.823 0.153 0.000 0.666 522 V HN 0.560 nan 8.190 nan 0.000 0.456 523 F N 0.005 120.008 119.950 0.088 0.000 2.075 523 F HA -0.188 4.339 4.527 0.000 0.000 0.297 523 F C 1.992 177.811 175.800 0.032 0.000 1.113 523 F CA 1.753 59.761 58.000 0.013 0.000 1.218 523 F CB -0.397 38.487 39.000 -0.194 0.000 0.984 523 F HN 0.163 nan 8.300 nan 0.000 0.472 524 W N 0.495 121.898 121.300 0.172 0.000 2.418 524 W HA -0.080 4.581 4.660 0.000 0.000 0.292 524 W C 2.108 178.611 176.519 -0.028 0.000 1.213 524 W CA 0.768 58.135 57.345 0.036 0.000 1.283 524 W CB -0.484 29.123 29.460 0.245 0.000 1.119 524 W HN -0.035 nan 8.180 nan 0.000 0.542 525 N N -0.550 118.286 118.700 0.227 0.000 2.395 525 N HA -0.030 4.710 4.740 0.000 0.000 0.175 525 N C 1.369 176.889 175.510 0.016 0.000 1.029 525 N CA 1.007 54.096 53.050 0.064 0.000 0.897 525 N CB -0.119 38.422 38.487 0.090 0.000 0.991 525 N HN 0.348 nan 8.380 nan 0.000 0.441 526 Q N -1.426 118.408 119.800 0.056 0.000 2.580 526 Q HA 0.229 4.570 4.340 0.000 0.000 0.239 526 Q C 1.153 177.164 176.000 0.018 0.000 0.873 526 Q CA -0.097 55.735 55.803 0.049 0.000 0.951 526 Q CB 0.243 29.043 28.738 0.104 0.000 1.172 526 Q HN 0.139 nan 8.270 nan 0.000 0.616 527 F N 1.196 121.069 119.950 -0.128 0.000 2.118 527 F HA -0.087 4.441 4.527 0.000 0.000 0.293 527 F C 1.837 177.462 175.800 -0.292 0.000 1.102 527 F CA 0.785 58.678 58.000 -0.180 0.000 1.247 527 F CB -0.182 38.731 39.000 -0.144 0.000 1.017 527 F HN 0.051 nan 8.300 nan 0.000 0.475 528 L N 1.358 122.204 121.223 -0.630 0.000 2.042 528 L HA -0.064 4.276 4.340 0.000 0.000 0.210 528 L C -0.916 175.702 176.870 -0.422 0.000 1.076 528 L CA 2.167 56.593 54.840 -0.690 0.000 0.749 528 L CB -1.916 39.680 42.059 -0.772 0.000 0.893 528 L HN -0.002 nan 8.230 nan 0.000 0.432 529 P HA -0.207 nan 4.420 nan 0.000 0.215 529 P C 1.480 178.667 177.300 -0.189 0.000 1.153 529 P CA 1.606 64.614 63.100 -0.153 0.000 0.853 529 P CB -0.049 31.593 31.700 -0.097 0.000 0.788 530 K N -0.234 120.019 120.400 -0.245 0.000 2.097 530 K HA -0.113 4.207 4.320 0.000 0.000 0.205 530 K C 2.012 178.433 176.600 -0.298 0.000 1.050 530 K CA 0.901 57.051 56.287 -0.228 0.000 0.938 530 K CB -0.669 31.712 32.500 -0.199 0.000 0.718 530 K HN 0.055 nan 8.250 nan 0.000 0.442 531 L N 0.895 121.821 121.223 -0.495 0.000 2.093 531 L HA -0.111 4.230 4.340 0.000 0.000 0.208 531 L C 1.938 178.652 176.870 -0.261 0.000 1.085 531 L CA 1.060 55.626 54.840 -0.457 0.000 0.755 531 L CB -0.067 41.580 42.059 -0.687 0.000 0.904 531 L HN 0.210 nan 8.230 nan 0.000 0.435 532 L N -0.134 120.950 121.223 -0.231 0.000 2.156 532 L HA -0.170 4.170 4.340 0.000 0.000 0.208 532 L C 2.144 178.957 176.870 -0.096 0.000 1.095 532 L CA 1.331 56.087 54.840 -0.140 0.000 0.770 532 L CB -0.623 41.374 42.059 -0.103 0.000 0.914 532 L HN 0.397 nan 8.230 nan 0.000 0.439 533 N N 0.224 118.864 118.700 -0.100 0.000 2.396 533 N HA -0.084 4.656 4.740 0.000 0.000 0.180 533 N C 1.442 176.914 175.510 -0.064 0.000 1.028 533 N CA 1.031 54.041 53.050 -0.068 0.000 0.893 533 N CB 0.186 38.635 38.487 -0.064 0.000 0.967 533 N HN 0.247 nan 8.380 nan 0.000 0.440 534 A N -1.373 121.397 122.820 -0.084 0.000 2.303 534 A HA 0.173 4.493 4.320 0.000 0.000 0.217 534 A C 1.521 179.070 177.584 -0.058 0.000 1.205 534 A CA 0.975 52.972 52.037 -0.067 0.000 0.875 534 A CB -0.117 18.838 19.000 -0.075 0.000 0.910 534 A HN 0.440 nan 8.150 nan 0.000 0.501 535 T N -5.318 109.196 114.554 -0.067 0.000 3.046 535 T HA 0.620 4.970 4.350 0.000 0.000 0.270 535 T C 0.529 175.201 174.700 -0.046 0.000 0.920 535 T CA 0.720 62.788 62.100 -0.053 0.000 0.874 535 T CB -0.081 68.751 68.868 -0.060 0.000 1.214 535 T HN 0.624 nan 8.240 nan 0.000 0.536 536 A N 0.000 122.791 122.820 -0.049 0.000 2.254 536 A HA 0.000 4.320 4.320 0.000 0.000 0.244 536 A CA 0.000 52.015 52.037 -0.036 0.000 0.836 536 A CB 0.000 18.971 19.000 -0.048 0.000 0.831 536 A HN 0.000 nan 8.150 nan 0.000 0.486