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 2fqd_1_A DATA FIRST_RESID 30 DATA SEQUENCE ERPTLPIPDL LTTDARNRIQ LTIGAGQSTF GGKTATTWGY NGNLLGPAVK DATA SEQUENCE LQRGKAVTVD IYNQLTEETT LHWHGLEVPG EVDGGPQGII PPGGKRSVTL DATA SEQUENCE NVDQPAATCW FHPHQHGKTG RQVAMGLAGL VVIEDDEILK LMLPKQWGID DATA SEQUENCE DVPVIVQDKK FSADGQIDYQ LDVMTAAVGW FGDTLLTNGA IYPQHAAPRG DATA SEQUENCE WLRLRLLNGC NARSLNFATS DNRPLYVIAS DGGLLPEPVK VSELPVLMGE DATA SEQUENCE RFEVLVEVND NKPFDLVTLP VSQMGMAIAP FDKPHPVMRI QPIAISASGA DATA SEQUENCE LPDTLSSLPA LPSLEGLTVR KLQLSMDPML DMMGMQMLME KYGDQAMAGX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXFDFHHANK INGQAFDMNK PMFAAAKGQY DATA SEQUENCE ERWVISGVGD MMLHPFHIHG TQFRILSENG KPPAAHRAGW KDTVKVEGNV DATA SEQUENCE SEVLVKFNHD APKEHAYMAH CHLLEHEDTG MMLGFTV 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 30 E HA 0.000 nan 4.350 nan 0.000 0.291 30 E C 0.000 176.371 176.600 -0.381 0.000 1.382 30 E CA 0.000 55.858 56.400 -0.904 0.000 0.976 30 E CB 0.000 29.233 29.700 -0.778 0.000 0.812 31 R N 0.221 120.564 120.500 -0.261 0.000 2.789 31 R HA 0.310 4.650 4.340 -0.000 0.000 0.166 31 R C -1.760 174.486 176.300 -0.090 0.000 0.957 31 R CA 1.175 57.187 56.100 -0.147 0.000 1.084 31 R CB 0.194 30.423 30.300 -0.118 0.000 1.312 31 R HN 0.410 nan 8.270 nan 0.000 0.546 32 P HA 0.076 nan 4.420 nan 0.000 0.268 32 P C -0.822 176.466 177.300 -0.020 0.000 1.205 32 P CA 0.304 63.387 63.100 -0.027 0.000 0.771 32 P CB 0.986 32.685 31.700 -0.001 0.000 0.858 33 T N 0.509 115.056 114.554 -0.013 0.000 2.926 33 T HA 0.131 4.481 4.350 -0.000 0.000 0.307 33 T C 0.475 175.195 174.700 0.033 0.000 1.059 33 T CA -0.855 61.245 62.100 -0.000 0.000 1.122 33 T CB 0.212 69.076 68.868 -0.006 0.000 0.972 33 T HN 0.285 nan 8.240 nan 0.000 0.545 34 L N 4.416 125.676 121.223 0.062 0.000 2.562 34 L HA 0.313 4.652 4.340 -0.000 0.000 0.271 34 L C -2.280 174.623 176.870 0.056 0.000 1.167 34 L CA -1.426 53.456 54.840 0.069 0.000 0.917 34 L CB -0.435 41.674 42.059 0.083 0.000 1.187 34 L HN 0.525 nan 8.230 nan 0.000 0.482 35 P HA 0.153 nan 4.420 nan 0.000 0.268 35 P C -0.984 176.338 177.300 0.036 0.000 1.204 35 P CA 0.083 63.215 63.100 0.053 0.000 0.768 35 P CB 0.455 32.196 31.700 0.068 0.000 0.842 36 I N 4.518 125.117 120.570 0.049 0.000 2.382 36 I HA 0.268 4.438 4.170 -0.000 0.000 0.285 36 I C -2.153 174.059 176.117 0.158 0.000 1.007 36 I CA -2.887 58.432 61.300 0.033 0.000 1.142 36 I CB 0.888 38.878 38.000 -0.016 0.000 1.289 36 I HN 0.145 nan 8.210 nan 0.000 0.453 37 P HA 0.029 nan 4.420 nan 0.000 0.262 37 P C -0.490 177.055 177.300 0.408 0.000 1.182 37 P CA 0.046 63.322 63.100 0.293 0.000 0.761 37 P CB 0.461 32.352 31.700 0.317 0.000 0.795 38 D N 2.115 122.678 120.400 0.272 0.000 2.458 38 D HA 0.014 4.654 4.640 -0.000 0.000 0.243 38 D C 0.194 176.564 176.300 0.116 0.000 1.146 38 D CA 0.075 54.204 54.000 0.214 0.000 0.877 38 D CB 0.489 41.374 40.800 0.141 0.000 1.176 38 D HN 0.177 nan 8.370 nan 0.000 0.461 39 L N 3.950 125.139 121.223 -0.056 0.000 2.407 39 L HA 0.155 4.495 4.340 -0.000 0.000 0.282 39 L C -0.494 176.282 176.870 -0.156 0.000 1.110 39 L CA 0.127 54.758 54.840 -0.349 0.000 0.863 39 L CB 0.089 41.710 42.059 -0.730 0.000 1.207 39 L HN 0.270 nan 8.230 nan 0.000 0.454 40 L N 5.627 126.796 121.223 -0.091 0.000 2.257 40 L HA 0.452 4.792 4.340 -0.000 0.000 0.290 40 L C 0.123 176.959 176.870 -0.057 0.000 1.044 40 L CA -0.302 54.520 54.840 -0.030 0.000 0.810 40 L CB 1.115 43.194 42.059 0.035 0.000 1.193 40 L HN 0.766 nan 8.230 nan 0.000 0.425 41 T N -0.528 113.993 114.554 -0.056 0.000 2.948 41 T HA 0.441 4.791 4.350 -0.000 0.000 0.285 41 T C 0.333 175.006 174.700 -0.045 0.000 1.019 41 T CA -0.624 61.439 62.100 -0.061 0.000 1.013 41 T CB 1.395 70.224 68.868 -0.065 0.000 1.117 41 T HN 0.604 nan 8.240 nan 0.000 0.533 42 T N 0.589 115.111 114.554 -0.053 0.000 2.906 42 T HA 0.260 4.610 4.350 -0.000 0.000 0.320 42 T C 0.163 174.844 174.700 -0.032 0.000 1.088 42 T CA -0.489 61.583 62.100 -0.047 0.000 1.120 42 T CB -0.123 68.711 68.868 -0.056 0.000 1.000 42 T HN 0.867 nan 8.240 nan 0.000 0.550 43 D N 1.163 121.549 120.400 -0.024 0.000 2.507 43 D HA 0.444 5.084 4.640 -0.000 0.000 0.280 43 D C 1.442 177.731 176.300 -0.019 0.000 1.219 43 D CA -0.448 53.543 54.000 -0.015 0.000 1.085 43 D CB -0.016 40.781 40.800 -0.005 0.000 1.134 43 D HN 0.572 nan 8.370 nan 0.000 0.583 44 A N -1.007 121.805 122.820 -0.014 0.000 2.119 44 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 44 A C 1.888 179.462 177.584 -0.017 0.000 1.153 44 A CA 0.734 52.762 52.037 -0.015 0.000 0.692 44 A CB -0.541 18.453 19.000 -0.010 0.000 0.799 44 A HN 0.456 nan 8.150 nan 0.000 0.458 45 R N -0.487 120.003 120.500 -0.017 0.000 2.466 45 R HA 0.119 4.459 4.340 -0.000 0.000 0.279 45 R C -0.353 175.929 176.300 -0.030 0.000 0.976 45 R CA -0.106 55.981 56.100 -0.020 0.000 1.081 45 R CB 0.134 30.425 30.300 -0.014 0.000 1.215 45 R HN 0.400 nan 8.270 nan 0.000 0.546 46 N N 1.508 120.187 118.700 -0.035 0.000 2.735 46 N HA -0.194 4.546 4.740 -0.000 0.000 0.248 46 N C -0.975 174.502 175.510 -0.056 0.000 1.083 46 N CA 1.095 54.116 53.050 -0.049 0.000 0.703 46 N CB -0.737 37.717 38.487 -0.054 0.000 1.005 46 N HN 0.350 nan 8.380 nan 0.000 0.550 47 R N -0.155 120.320 120.500 -0.041 0.000 2.832 47 R HA 0.770 5.110 4.340 -0.000 0.000 0.271 47 R C 0.011 176.294 176.300 -0.028 0.000 0.996 47 R CA -0.712 55.365 56.100 -0.038 0.000 0.977 47 R CB 1.746 32.035 30.300 -0.018 0.000 1.168 47 R HN 0.055 nan 8.270 nan 0.000 0.482 48 I N 1.368 121.922 120.570 -0.026 0.000 2.569 48 I HA 0.275 4.444 4.170 -0.000 0.000 0.290 48 I C -0.335 175.803 176.117 0.034 0.000 1.088 48 I CA -0.546 60.752 61.300 -0.004 0.000 1.047 48 I CB 2.128 40.108 38.000 -0.034 0.000 1.237 48 I HN 0.619 nan 8.210 nan 0.000 0.421 49 Q N 7.110 126.960 119.800 0.082 0.000 2.314 49 Q HA 0.767 5.106 4.340 -0.000 0.000 0.259 49 Q C -1.367 174.733 176.000 0.166 0.000 0.951 49 Q CA -0.448 55.456 55.803 0.169 0.000 0.909 49 Q CB 1.825 30.690 28.738 0.212 0.000 1.236 49 Q HN 0.660 nan 8.270 nan 0.000 0.444 50 L N 2.320 123.655 121.223 0.187 0.000 2.325 50 L HA 0.585 4.925 4.340 -0.000 0.000 0.281 50 L C -0.302 176.748 176.870 0.300 0.000 1.004 50 L CA -0.859 54.101 54.840 0.200 0.000 0.823 50 L CB 2.491 44.596 42.059 0.077 0.000 1.236 50 L HN 0.713 nan 8.230 nan 0.000 0.415 51 T N 4.269 118.992 114.554 0.281 0.000 2.771 51 T HA 0.563 4.913 4.350 -0.000 0.000 0.281 51 T C -0.021 174.792 174.700 0.187 0.000 0.982 51 T CA -0.290 61.952 62.100 0.237 0.000 0.978 51 T CB 1.190 70.127 68.868 0.114 0.000 0.930 51 T HN 0.272 nan 8.240 nan 0.000 0.447 52 I N 2.972 123.614 120.570 0.121 0.000 2.307 52 I HA 0.625 4.795 4.170 -0.000 0.000 0.289 52 I C 0.791 176.826 176.117 -0.136 0.000 1.021 52 I CA -0.385 60.892 61.300 -0.039 0.000 1.224 52 I CB 0.973 38.944 38.000 -0.049 0.000 1.376 52 I HN 0.709 nan 8.210 nan 0.000 0.470 53 G N 3.988 112.687 108.800 -0.169 0.000 2.690 53 G HA2 0.761 4.721 3.960 -0.000 0.000 0.291 53 G HA3 0.761 4.721 3.960 -0.000 0.000 0.291 53 G C -1.520 173.278 174.900 -0.170 0.000 1.403 53 G CA -0.686 44.312 45.100 -0.170 0.000 0.864 53 G HN 0.701 nan 8.290 nan 0.000 0.480 54 A N -0.821 121.915 122.820 -0.141 0.000 2.295 54 A HA 0.996 5.316 4.320 -0.000 0.000 0.318 54 A C 0.662 178.304 177.584 0.097 0.000 1.134 54 A CA 0.362 52.437 52.037 0.062 0.000 0.827 54 A CB 1.378 20.445 19.000 0.113 0.000 1.136 54 A HN 2.036 nan 8.150 nan 0.000 0.493 55 G N -0.183 108.711 108.800 0.157 0.000 2.677 55 G HA2 0.543 4.503 3.960 -0.000 0.000 0.283 55 G HA3 0.543 4.503 3.960 -0.000 0.000 0.283 55 G C -1.767 173.198 174.900 0.108 0.000 1.221 55 G CA -0.372 44.789 45.100 0.103 0.000 0.851 55 G HN 0.632 nan 8.290 nan 0.000 0.504 56 Q N 0.074 119.913 119.800 0.065 0.000 2.337 56 Q HA 0.703 5.043 4.340 -0.000 0.000 0.270 56 Q C -1.068 174.922 176.000 -0.017 0.000 1.043 56 Q CA -0.454 55.372 55.803 0.037 0.000 0.794 56 Q CB 2.077 30.826 28.738 0.018 0.000 1.281 56 Q HN 0.436 nan 8.270 nan 0.000 0.446 57 S N 0.420 116.076 115.700 -0.073 0.000 2.638 57 S HA 0.709 5.179 4.470 -0.000 0.000 0.302 57 S C -0.606 173.725 174.600 -0.449 0.000 1.096 57 S CA -0.561 57.465 58.200 -0.289 0.000 0.953 57 S CB 1.822 64.776 63.200 -0.409 0.000 1.107 57 S HN 0.445 nan 8.310 nan 0.000 0.503 58 T N 2.402 116.609 114.554 -0.578 0.000 2.792 58 T HA 0.611 4.961 4.350 -0.000 0.000 0.280 58 T C -1.318 172.979 174.700 -0.671 0.000 0.990 58 T CA -0.238 61.582 62.100 -0.468 0.000 0.960 58 T CB 0.054 68.787 68.868 -0.226 0.000 0.939 58 T HN 0.350 nan 8.240 nan 0.000 0.439 59 F N 0.954 120.827 119.950 -0.129 0.000 2.477 59 F HA 0.560 5.087 4.527 0.001 0.000 0.335 59 F C 1.186 176.864 175.800 -0.204 0.000 1.130 59 F CA -1.042 56.843 58.000 -0.191 0.000 0.948 59 F CB 1.446 40.191 39.000 -0.424 0.000 1.154 59 F HN 0.806 nan 8.300 nan 0.000 0.439 60 G N 1.869 110.693 108.800 0.040 0.000 2.393 60 G HA2 0.098 4.058 3.960 -0.000 0.000 0.299 60 G HA3 0.098 4.058 3.960 -0.000 0.000 0.299 60 G C 1.174 176.062 174.900 -0.020 0.000 0.990 60 G CA 0.759 45.863 45.100 0.006 0.000 1.118 60 G HN 1.860 nan 8.290 nan 0.000 0.513 61 G N -1.127 107.655 108.800 -0.030 0.000 2.328 61 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.256 61 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.256 61 G C 0.537 175.415 174.900 -0.036 0.000 1.014 61 G CA 1.391 46.472 45.100 -0.032 0.000 0.620 61 G HN 1.285 nan 8.290 nan 0.000 0.530 62 K N 1.285 121.659 120.400 -0.043 0.000 2.213 62 K HA 0.650 4.970 4.320 -0.000 0.000 0.270 62 K C 0.323 176.903 176.600 -0.033 0.000 1.002 62 K CA 0.112 56.380 56.287 -0.031 0.000 0.868 62 K CB 1.234 33.717 32.500 -0.029 0.000 1.093 62 K HN 0.101 nan 8.250 nan 0.000 0.454 63 T N 1.697 116.242 114.554 -0.016 0.000 2.904 63 T HA 0.694 5.044 4.350 -0.000 0.000 0.290 63 T C -1.019 173.717 174.700 0.060 0.000 1.018 63 T CA -0.281 61.809 62.100 -0.017 0.000 1.075 63 T CB 0.498 69.356 68.868 -0.016 0.000 0.986 63 T HN 0.611 nan 8.240 nan 0.000 0.523 64 A N 2.642 125.518 122.820 0.094 0.000 2.520 64 A HA 0.620 4.940 4.320 -0.000 0.000 0.298 64 A C -0.028 177.655 177.584 0.165 0.000 1.051 64 A CA -0.787 51.371 52.037 0.202 0.000 0.690 64 A CB 1.344 20.608 19.000 0.441 0.000 1.281 64 A HN 0.734 nan 8.150 nan 0.000 0.402 65 T N 2.777 117.419 114.554 0.146 0.000 2.853 65 T HA 0.482 4.832 4.350 -0.000 0.000 0.298 65 T C 0.541 175.321 174.700 0.134 0.000 0.978 65 T CA 1.026 63.207 62.100 0.134 0.000 1.152 65 T CB -0.091 68.849 68.868 0.121 0.000 0.914 65 T HN 1.065 nan 8.240 nan 0.000 0.539 66 T N 0.231 114.890 114.554 0.174 0.000 2.896 66 T HA 0.670 5.020 4.350 -0.000 0.000 0.297 66 T C -1.501 173.408 174.700 0.348 0.000 1.108 66 T CA -1.073 61.130 62.100 0.171 0.000 1.004 66 T CB 1.303 70.307 68.868 0.225 0.000 1.159 66 T HN 0.461 nan 8.240 nan 0.000 0.499 67 W N 0.200 121.507 121.300 0.011 0.000 2.627 67 W HA 0.817 5.477 4.660 0.001 0.000 0.339 67 W C 0.403 176.873 176.519 -0.083 0.000 1.058 67 W CA -0.861 56.450 57.345 -0.056 0.000 1.223 67 W CB 1.889 31.287 29.460 -0.104 0.000 1.389 67 W HN 1.265 nan 8.180 nan 0.000 0.541 68 G N 0.712 109.552 108.800 0.067 0.000 2.677 68 G HA2 0.578 4.538 3.960 -0.000 0.000 0.291 68 G HA3 0.578 4.538 3.960 -0.000 0.000 0.291 68 G C -2.602 172.208 174.900 -0.149 0.000 1.435 68 G CA -0.826 44.257 45.100 -0.028 0.000 0.826 68 G HN 0.152 nan 8.290 nan 0.000 0.491 69 Y N 0.860 121.256 120.300 0.159 0.000 2.335 69 Y HA 0.329 4.879 4.550 -0.001 0.000 0.339 69 Y C 0.792 176.787 175.900 0.158 0.000 0.987 69 Y CA -0.797 57.409 58.100 0.177 0.000 1.140 69 Y CB 1.469 40.104 38.460 0.291 0.000 1.173 69 Y HN 0.511 nan 8.280 nan 0.000 0.486 70 N N 1.437 120.292 118.700 0.258 0.000 2.727 70 N HA -0.162 4.578 4.740 -0.000 0.000 0.249 70 N C -0.130 175.465 175.510 0.141 0.000 1.048 70 N CA 1.307 54.464 53.050 0.178 0.000 0.714 70 N CB -1.002 37.598 38.487 0.189 0.000 0.959 70 N HN 1.107 nan 8.380 nan 0.000 0.544 71 G N -1.481 107.389 108.800 0.116 0.000 2.324 71 G HA2 0.114 4.074 3.960 -0.000 0.000 0.293 71 G HA3 0.114 4.074 3.960 -0.000 0.000 0.293 71 G C 0.131 175.084 174.900 0.088 0.000 1.297 71 G CA -0.349 44.810 45.100 0.098 0.000 0.853 71 G HN 0.035 nan 8.290 nan 0.000 0.535 72 N N -1.065 117.686 118.700 0.085 0.000 2.416 72 N HA 0.110 4.850 4.740 -0.000 0.000 0.177 72 N C 0.182 175.769 175.510 0.128 0.000 1.036 72 N CA 0.837 53.944 53.050 0.095 0.000 0.901 72 N CB 0.631 39.161 38.487 0.072 0.000 0.976 72 N HN 0.433 nan 8.380 nan 0.000 0.444 73 L N 0.190 121.490 121.223 0.129 0.000 2.505 73 L HA 0.297 4.637 4.340 -0.000 0.000 0.259 73 L C -0.099 176.867 176.870 0.160 0.000 0.952 73 L CA -0.415 54.520 54.840 0.158 0.000 0.840 73 L CB 1.240 43.402 42.059 0.173 0.000 1.358 73 L HN -0.014 nan 8.230 nan 0.000 0.409 74 L N 1.984 123.308 121.223 0.168 0.000 6.519 74 L HA -0.086 4.254 4.340 -0.000 0.000 0.053 74 L C 0.643 177.663 176.870 0.249 0.000 1.992 74 L CA 1.518 56.469 54.840 0.185 0.000 1.661 74 L CB -1.732 40.424 42.059 0.161 0.000 2.744 74 L HN 1.065 nan 8.230 nan 0.000 1.041 75 G N -2.132 106.809 108.800 0.235 0.000 0.000 75 G HA2 0.557 4.517 3.960 -0.000 0.000 0.000 75 G HA3 0.557 4.517 3.960 -0.000 0.000 0.000 75 G C -3.184 171.856 174.900 0.235 0.000 0.000 75 G CA -0.064 45.218 45.100 0.305 0.000 0.000 75 G HN 0.456 nan 8.290 nan 0.000 0.000 76 P HA 0.528 nan 4.420 nan 0.000 0.277 76 P C -0.492 176.965 177.300 0.261 0.000 1.271 76 P CA -0.173 63.079 63.100 0.253 0.000 0.795 76 P CB 1.466 33.308 31.700 0.237 0.000 1.101 77 A N 1.149 124.092 122.820 0.205 0.000 2.366 77 A HA 0.376 4.696 4.320 -0.000 0.000 0.322 77 A C -0.016 177.600 177.584 0.052 0.000 1.397 77 A CA -0.617 51.505 52.037 0.143 0.000 0.984 77 A CB -0.469 18.555 19.000 0.039 0.000 1.149 77 A HN 0.303 nan 8.150 nan 0.000 0.540 78 V N 3.875 123.898 119.914 0.183 0.000 2.446 78 V HA 0.078 4.198 4.120 -0.000 0.000 0.276 78 V C 0.705 176.798 176.094 -0.001 0.000 1.030 78 V CA 0.210 62.568 62.300 0.096 0.000 1.033 78 V CB 0.634 32.556 31.823 0.165 0.000 0.993 78 V HN 0.824 nan 8.190 nan 0.000 0.477 79 K N 6.055 126.405 120.400 -0.083 0.000 2.211 79 K HA 0.658 4.978 4.320 -0.000 0.000 0.275 79 K C -1.186 175.354 176.600 -0.100 0.000 1.024 79 K CA -0.515 55.701 56.287 -0.117 0.000 0.887 79 K CB 0.769 33.166 32.500 -0.172 0.000 1.084 79 K HN 0.593 nan 8.250 nan 0.000 0.463 80 L N 3.031 124.197 121.223 -0.094 0.000 2.401 80 L HA 0.368 4.708 4.340 -0.000 0.000 0.266 80 L C -0.817 176.000 176.870 -0.088 0.000 0.991 80 L CA -1.161 53.615 54.840 -0.107 0.000 0.818 80 L CB 2.136 44.113 42.059 -0.136 0.000 1.321 80 L HN 0.578 nan 8.230 nan 0.000 0.413 81 Q N 2.310 122.058 119.800 -0.086 0.000 2.316 81 Q HA 0.342 4.682 4.340 -0.000 0.000 0.264 81 Q C -0.516 175.441 176.000 -0.071 0.000 0.987 81 Q CA -0.529 55.233 55.803 -0.068 0.000 0.852 81 Q CB 1.624 30.327 28.738 -0.058 0.000 1.287 81 Q HN 0.423 nan 8.270 nan 0.000 0.448 82 R N 2.344 122.807 120.500 -0.061 0.000 2.585 82 R HA 0.245 4.585 4.340 -0.000 0.000 0.275 82 R C 0.457 176.725 176.300 -0.053 0.000 1.018 82 R CA 1.584 57.648 56.100 -0.060 0.000 1.072 82 R CB -0.148 30.122 30.300 -0.049 0.000 0.953 82 R HN 0.990 nan 8.270 nan 0.000 0.419 83 G N 2.947 111.713 108.800 -0.056 0.000 2.148 83 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.254 83 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.254 83 G C -0.339 174.529 174.900 -0.054 0.000 0.981 83 G CA 0.463 45.535 45.100 -0.047 0.000 0.670 83 G HN 0.564 nan 8.290 nan 0.000 0.528 84 K N 0.268 120.627 120.400 -0.069 0.000 2.376 84 K HA 0.695 5.015 4.320 -0.000 0.000 0.257 84 K C 0.280 176.822 176.600 -0.097 0.000 0.939 84 K CA -0.123 56.120 56.287 -0.074 0.000 0.809 84 K CB 2.053 34.511 32.500 -0.070 0.000 1.121 84 K HN 0.440 nan 8.250 nan 0.000 0.425 85 A N 2.125 124.889 122.820 -0.094 0.000 2.340 85 A HA 0.539 4.859 4.320 -0.000 0.000 0.268 85 A C -0.139 177.371 177.584 -0.123 0.000 1.100 85 A CA -0.459 51.510 52.037 -0.115 0.000 0.803 85 A CB 0.382 19.324 19.000 -0.097 0.000 1.043 85 A HN 0.531 nan 8.150 nan 0.000 0.488 86 V N -0.555 119.264 119.914 -0.158 0.000 2.888 86 V HA 0.802 4.922 4.120 -0.000 0.000 0.309 86 V C -0.349 175.641 176.094 -0.173 0.000 1.114 86 V CA -0.504 61.702 62.300 -0.157 0.000 0.940 86 V CB 1.509 33.224 31.823 -0.180 0.000 1.021 86 V HN 0.767 nan 8.190 nan 0.000 0.426 87 T N 3.362 117.836 114.554 -0.135 0.000 2.794 87 T HA 0.669 5.019 4.350 -0.000 0.000 0.280 87 T C -0.335 174.294 174.700 -0.118 0.000 0.987 87 T CA -0.354 61.670 62.100 -0.128 0.000 0.993 87 T CB 1.460 70.272 68.868 -0.093 0.000 0.939 87 T HN 0.770 nan 8.240 nan 0.000 0.449 88 V N 3.973 123.812 119.914 -0.125 0.000 2.384 88 V HA 0.333 4.452 4.120 -0.000 0.000 0.287 88 V C -0.343 175.704 176.094 -0.078 0.000 1.020 88 V CA -0.979 61.273 62.300 -0.080 0.000 0.850 88 V CB 1.582 33.379 31.823 -0.043 0.000 0.987 88 V HN 0.815 nan 8.190 nan 0.000 0.436 89 D N 5.324 125.675 120.400 -0.081 0.000 2.274 89 D HA 0.503 5.143 4.640 -0.000 0.000 0.239 89 D C -0.365 175.773 176.300 -0.271 0.000 1.104 89 D CA 0.074 53.947 54.000 -0.210 0.000 0.840 89 D CB 2.132 42.823 40.800 -0.181 0.000 1.100 89 D HN 0.359 nan 8.370 nan 0.000 0.477 90 I N 2.728 123.087 120.570 -0.353 0.000 2.382 90 I HA 0.201 4.371 4.170 -0.000 0.000 0.286 90 I C -0.805 175.124 176.117 -0.312 0.000 1.002 90 I CA -0.867 60.312 61.300 -0.200 0.000 1.135 90 I CB 0.864 38.813 38.000 -0.084 0.000 1.288 90 I HN 0.156 nan 8.210 nan 0.000 0.448 91 Y N 4.427 124.743 120.300 0.026 0.000 2.369 91 Y HA 0.283 4.832 4.550 -0.000 0.000 0.337 91 Y C 0.428 176.328 175.900 -0.001 0.000 0.961 91 Y CA -0.829 57.276 58.100 0.009 0.000 1.186 91 Y CB 0.732 39.196 38.460 0.008 0.000 1.139 91 Y HN 0.472 nan 8.280 nan 0.000 0.494 92 N N 3.380 122.133 118.700 0.088 0.000 2.399 92 N HA 0.018 4.758 4.740 -0.000 0.000 0.259 92 N C 0.034 175.542 175.510 -0.003 0.000 1.160 92 N CA 0.166 53.224 53.050 0.014 0.000 0.946 92 N CB 0.640 39.114 38.487 -0.022 0.000 1.156 92 N HN 0.593 nan 8.380 nan 0.000 0.489 93 Q N 3.004 122.780 119.800 -0.040 0.000 2.175 93 Q HA 0.254 4.594 4.340 -0.000 0.000 0.225 93 Q C 0.009 175.922 176.000 -0.145 0.000 0.837 93 Q CA -0.204 55.560 55.803 -0.063 0.000 1.032 93 Q CB 0.433 29.147 28.738 -0.040 0.000 1.137 93 Q HN 0.612 nan 8.270 nan 0.000 0.483 94 L N 0.013 121.102 121.223 -0.224 0.000 2.488 94 L HA 0.263 4.603 4.340 -0.000 0.000 0.249 94 L C 1.505 178.265 176.870 -0.183 0.000 1.151 94 L CA -0.055 54.594 54.840 -0.318 0.000 0.806 94 L CB 0.489 42.215 42.059 -0.555 0.000 1.261 94 L HN 0.013 nan 8.230 nan 0.000 0.484 95 T N -3.668 110.792 114.554 -0.155 0.000 3.105 95 T HA 0.175 4.525 4.350 -0.000 0.000 0.253 95 T C 0.071 174.736 174.700 -0.058 0.000 1.047 95 T CA -0.406 61.649 62.100 -0.074 0.000 0.944 95 T CB -0.369 68.480 68.868 -0.032 0.000 1.016 95 T HN 0.695 nan 8.240 nan 0.000 0.544 96 E N 0.284 120.427 120.200 -0.096 0.000 2.369 96 E HA 0.497 4.846 4.350 -0.000 0.000 0.270 96 E C -1.214 175.346 176.600 -0.067 0.000 0.909 96 E CA -1.163 55.206 56.400 -0.051 0.000 0.775 96 E CB 1.400 31.102 29.700 0.002 0.000 1.270 96 E HN 0.206 nan 8.360 nan 0.000 0.445 97 E N 0.391 120.576 120.200 -0.025 0.000 2.436 97 E HA 0.145 4.495 4.350 -0.000 0.000 0.262 97 E C -0.475 176.119 176.600 -0.009 0.000 1.063 97 E CA 0.610 57.002 56.400 -0.014 0.000 0.944 97 E CB 1.062 30.767 29.700 0.009 0.000 0.950 97 E HN 0.454 nan 8.360 nan 0.000 0.444 98 T N 0.212 114.766 114.554 0.001 0.000 2.769 98 T HA 0.429 4.779 4.350 -0.000 0.000 0.306 98 T C -1.285 173.443 174.700 0.048 0.000 1.400 98 T CA -0.519 61.598 62.100 0.028 0.000 1.007 98 T CB 1.651 70.518 68.868 -0.001 0.000 1.392 98 T HN 0.597 nan 8.240 nan 0.000 0.500 99 T N 0.283 114.884 114.554 0.078 0.000 2.916 99 T HA 0.777 5.127 4.350 -0.000 0.000 0.292 99 T C -1.196 173.546 174.700 0.070 0.000 1.064 99 T CA -0.853 61.291 62.100 0.073 0.000 1.011 99 T CB 1.511 70.436 68.868 0.096 0.000 1.152 99 T HN 0.574 nan 8.240 nan 0.000 0.510 100 L N 2.240 123.459 121.223 -0.007 0.000 2.377 100 L HA 0.502 4.842 4.340 -0.000 0.000 0.270 100 L C -1.075 175.624 176.870 -0.285 0.000 0.991 100 L CA -0.797 53.942 54.840 -0.168 0.000 0.851 100 L CB 0.915 42.793 42.059 -0.302 0.000 1.218 100 L HN 0.978 nan 8.230 nan 0.000 0.420 101 H N 3.505 122.342 119.070 -0.389 0.000 2.489 101 H HA 0.342 4.898 4.556 -0.000 0.000 0.322 101 H C -1.575 173.404 175.328 -0.580 0.000 1.091 101 H CA -0.375 55.439 56.048 -0.390 0.000 1.291 101 H CB 0.797 30.399 29.762 -0.265 0.000 1.436 101 H HN 0.438 nan 8.280 nan 0.000 0.480 102 W N 5.552 126.459 121.300 -0.655 0.000 2.292 102 W HA 0.182 4.843 4.660 0.000 0.000 0.352 102 W C -0.026 175.981 176.519 -0.854 0.000 0.962 102 W CA -0.774 56.230 57.345 -0.568 0.000 1.496 102 W CB -0.269 29.010 29.460 -0.302 0.000 1.381 102 W HN 0.690 nan 8.180 nan 0.000 0.363 103 H N 1.954 120.441 119.070 -0.971 0.000 2.955 103 H HA 0.388 4.944 4.556 -0.001 0.000 0.290 103 H C 1.392 176.637 175.328 -0.138 0.000 1.047 103 H CA 1.124 56.775 56.048 -0.662 0.000 1.484 103 H CB 0.384 29.684 29.762 -0.770 0.000 1.501 103 H HN 0.788 nan 8.280 nan 0.000 0.521 104 G N 3.888 112.803 108.800 0.191 0.000 2.232 104 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.226 104 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.226 104 G C -0.350 174.581 174.900 0.052 0.000 0.996 104 G CA -0.083 45.133 45.100 0.193 0.000 0.626 104 G HN 0.575 nan 8.290 nan 0.000 0.509 105 L N 1.964 123.201 121.223 0.023 0.000 2.319 105 L HA 0.434 4.774 4.340 -0.000 0.000 0.280 105 L C 0.628 177.473 176.870 -0.042 0.000 1.099 105 L CA 0.101 54.922 54.840 -0.032 0.000 0.828 105 L CB 1.051 43.077 42.059 -0.054 0.000 1.150 105 L HN 0.252 nan 8.230 nan 0.000 0.442 106 E N 3.673 123.834 120.200 -0.065 0.000 1.814 106 E HA 0.319 4.669 4.350 -0.000 0.000 0.264 106 E C -0.667 175.788 176.600 -0.241 0.000 1.179 106 E CA -0.224 56.169 56.400 -0.011 0.000 0.972 106 E CB 0.348 30.093 29.700 0.074 0.000 1.077 106 E HN 0.421 nan 8.360 nan 0.000 0.417 107 V N -0.012 119.782 119.914 -0.200 0.000 3.078 107 V HA 0.622 4.742 4.120 -0.000 0.000 0.311 107 V C -2.798 173.273 176.094 -0.039 0.000 1.138 107 V CA -3.302 58.785 62.300 -0.354 0.000 1.007 107 V CB 1.777 33.457 31.823 -0.239 0.000 1.045 107 V HN 0.188 nan 8.190 nan 0.000 0.432 108 P HA 0.214 nan 4.420 nan 0.000 0.268 108 P C 1.121 178.400 177.300 -0.035 0.000 1.208 108 P CA 0.697 63.813 63.100 0.027 0.000 0.777 108 P CB 0.737 32.411 31.700 -0.042 0.000 0.875 109 G N 1.867 110.482 108.800 -0.309 0.000 2.462 109 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.220 109 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.220 109 G C 1.044 175.859 174.900 -0.142 0.000 1.121 109 G CA 0.655 45.528 45.100 -0.377 0.000 0.758 109 G HN 0.486 nan 8.290 nan 0.000 0.559 110 E N -0.243 119.847 120.200 -0.182 0.000 2.204 110 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 110 E C 2.470 178.902 176.600 -0.281 0.000 0.990 110 E CA 1.172 57.355 56.400 -0.363 0.000 0.821 110 E CB -0.065 29.441 29.700 -0.324 0.000 0.750 110 E HN 0.529 nan 8.360 nan 0.000 0.477 111 V N -2.431 117.404 119.914 -0.131 0.000 3.427 111 V HA 0.206 4.326 4.120 -0.000 0.000 0.305 111 V C 1.159 177.311 176.094 0.096 0.000 1.412 111 V CA 0.356 62.625 62.300 -0.051 0.000 1.086 111 V CB 0.432 32.191 31.823 -0.106 0.000 0.964 111 V HN -0.060 nan 8.190 nan 0.000 0.439 112 D N 2.241 122.709 120.400 0.113 0.000 2.269 112 D HA 0.129 4.769 4.640 -0.000 0.000 0.208 112 D C 1.758 178.221 176.300 0.272 0.000 0.963 112 D CA 1.482 55.632 54.000 0.251 0.000 0.864 112 D CB -0.187 40.800 40.800 0.310 0.000 0.936 112 D HN 0.779 nan 8.370 nan 0.000 0.505 113 G N -0.507 108.384 108.800 0.151 0.000 2.246 113 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.273 113 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.273 113 G C 0.637 175.573 174.900 0.059 0.000 1.055 113 G CA 0.250 45.409 45.100 0.098 0.000 0.851 113 G HN 0.637 nan 8.290 nan 0.000 0.500 114 G N -0.117 108.678 108.800 -0.008 0.000 2.611 114 G HA2 0.594 4.554 3.960 -0.000 0.000 0.273 114 G HA3 0.594 4.554 3.960 -0.000 0.000 0.273 114 G C -0.178 174.698 174.900 -0.040 0.000 1.305 114 G CA -0.151 44.835 45.100 -0.191 0.000 1.010 114 G HN 0.150 nan 8.290 nan 0.000 0.509 115 P HA -0.091 nan 4.420 nan 0.000 0.226 115 P C 0.946 178.291 177.300 0.075 0.000 1.146 115 P CA 1.102 64.252 63.100 0.083 0.000 0.773 115 P CB 0.217 32.001 31.700 0.140 0.000 0.772 116 Q N -0.717 119.115 119.800 0.054 0.000 2.403 116 Q HA 0.162 4.502 4.340 -0.000 0.000 0.203 116 Q C 1.460 177.515 176.000 0.092 0.000 0.932 116 Q CA 0.297 56.124 55.803 0.041 0.000 0.945 116 Q CB -0.032 28.692 28.738 -0.023 0.000 1.045 116 Q HN 0.198 nan 8.270 nan 0.000 0.511 117 G N 0.974 109.833 108.800 0.098 0.000 4.178 117 G HA2 0.227 4.187 3.960 -0.000 0.000 0.287 117 G HA3 0.227 4.187 3.960 -0.000 0.000 0.287 117 G C 0.053 174.989 174.900 0.059 0.000 1.293 117 G CA -0.437 44.721 45.100 0.095 0.000 1.393 117 G HN 0.064 nan 8.290 nan 0.000 0.623 118 I N 1.424 122.026 120.570 0.054 0.000 2.752 118 I HA 0.040 4.210 4.170 -0.000 0.000 0.289 118 I C 0.402 176.531 176.117 0.021 0.000 1.197 118 I CA 0.092 61.414 61.300 0.036 0.000 1.432 118 I CB 0.327 38.344 38.000 0.028 0.000 1.359 118 I HN 0.142 nan 8.210 nan 0.000 0.571 119 I N 8.225 128.803 120.570 0.012 0.000 2.354 119 I HA 0.272 4.442 4.170 -0.000 0.000 0.286 119 I C -2.276 173.837 176.117 -0.007 0.000 1.007 119 I CA -1.913 59.386 61.300 -0.002 0.000 1.167 119 I CB 1.547 39.542 38.000 -0.007 0.000 1.320 119 I HN 0.280 nan 8.210 nan 0.000 0.458 120 P HA 0.178 nan 4.420 nan 0.000 0.272 120 P C -2.508 174.781 177.300 -0.017 0.000 1.223 120 P CA -1.529 61.565 63.100 -0.010 0.000 0.784 120 P CB -0.255 31.442 31.700 -0.006 0.000 0.923 121 P HA 0.015 nan 4.420 nan 0.000 0.267 121 P C 0.960 178.248 177.300 -0.019 0.000 1.205 121 P CA 1.001 64.078 63.100 -0.038 0.000 0.765 121 P CB 0.053 31.725 31.700 -0.047 0.000 0.828 122 G N 1.868 110.660 108.800 -0.013 0.000 2.205 122 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.261 122 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.261 122 G C 0.535 175.454 174.900 0.033 0.000 0.980 122 G CA 0.018 45.124 45.100 0.009 0.000 0.632 122 G HN 0.905 nan 8.290 nan 0.000 0.533 123 G N -0.491 108.322 108.800 0.022 0.000 2.504 123 G HA2 0.567 4.527 3.960 -0.000 0.000 0.288 123 G HA3 0.567 4.527 3.960 -0.000 0.000 0.288 123 G C -0.364 174.546 174.900 0.016 0.000 1.182 123 G CA 0.144 45.255 45.100 0.018 0.000 0.894 123 G HN 0.506 nan 8.290 nan 0.000 0.521 124 K N 0.532 120.916 120.400 -0.028 0.000 2.463 124 K HA 0.429 4.749 4.320 -0.000 0.000 0.255 124 K C -0.851 175.654 176.600 -0.157 0.000 0.942 124 K CA -0.797 55.401 56.287 -0.148 0.000 0.814 124 K CB 1.086 33.499 32.500 -0.145 0.000 1.122 124 K HN 0.350 nan 8.250 nan 0.000 0.425 125 R N 1.665 122.050 120.500 -0.190 0.000 2.621 125 R HA 0.399 4.739 4.340 -0.000 0.000 0.292 125 R C -1.021 175.182 176.300 -0.163 0.000 0.969 125 R CA -0.840 55.177 56.100 -0.138 0.000 0.887 125 R CB 2.129 32.382 30.300 -0.079 0.000 1.180 125 R HN 0.587 nan 8.270 nan 0.000 0.450 126 S N 1.069 116.690 115.700 -0.131 0.000 2.472 126 S HA 0.642 5.112 4.470 -0.000 0.000 0.303 126 S C -0.234 174.310 174.600 -0.095 0.000 1.099 126 S CA -0.777 57.351 58.200 -0.120 0.000 1.077 126 S CB 1.826 64.957 63.200 -0.116 0.000 1.031 126 S HN 0.405 nan 8.310 nan 0.000 0.487 127 V N 0.301 120.161 119.914 -0.089 0.000 2.876 127 V HA 0.757 4.877 4.120 -0.000 0.000 0.312 127 V C -0.412 175.592 176.094 -0.149 0.000 1.085 127 V CA -0.710 61.528 62.300 -0.104 0.000 0.945 127 V CB 1.672 33.459 31.823 -0.060 0.000 1.017 127 V HN 0.681 nan 8.190 nan 0.000 0.428 128 T N 5.448 119.904 114.554 -0.162 0.000 2.767 128 T HA 0.660 5.010 4.350 -0.000 0.000 0.284 128 T C -0.301 174.253 174.700 -0.243 0.000 0.973 128 T CA -0.184 61.807 62.100 -0.182 0.000 0.996 128 T CB 0.758 69.543 68.868 -0.139 0.000 0.927 128 T HN 0.627 nan 8.240 nan 0.000 0.456 129 L N 4.489 125.531 121.223 -0.301 0.000 2.294 129 L HA 0.441 4.781 4.340 -0.000 0.000 0.283 129 L C 0.287 176.996 176.870 -0.268 0.000 1.015 129 L CA -0.734 53.888 54.840 -0.364 0.000 0.831 129 L CB 0.715 42.440 42.059 -0.557 0.000 1.217 129 L HN 0.557 nan 8.230 nan 0.000 0.420 130 N N 3.705 122.268 118.700 -0.228 0.000 2.645 130 N HA 0.171 4.911 4.740 -0.000 0.000 0.233 130 N C -0.516 174.893 175.510 -0.167 0.000 1.058 130 N CA -0.305 52.646 53.050 -0.166 0.000 0.942 130 N CB 1.990 40.407 38.487 -0.117 0.000 1.210 130 N HN 0.242 nan 8.380 nan 0.000 0.512 131 V N 1.922 121.739 119.914 -0.162 0.000 2.446 131 V HA 0.012 4.132 4.120 -0.000 0.000 0.276 131 V C 0.458 176.497 176.094 -0.092 0.000 1.030 131 V CA 0.248 62.460 62.300 -0.147 0.000 1.033 131 V CB 0.598 32.332 31.823 -0.148 0.000 0.993 131 V HN 0.523 nan 8.190 nan 0.000 0.477 132 D N 4.593 124.953 120.400 -0.067 0.000 2.621 132 D HA 0.365 5.005 4.640 -0.000 0.000 0.274 132 D C -0.359 175.913 176.300 -0.046 0.000 1.215 132 D CA -0.296 53.687 54.000 -0.029 0.000 0.810 132 D CB 0.506 41.325 40.800 0.031 0.000 1.248 132 D HN 0.793 nan 8.370 nan 0.000 0.517 133 Q N -0.195 119.553 119.800 -0.087 0.000 2.633 133 Q HA 0.588 4.927 4.340 -0.000 0.000 0.289 133 Q C -3.077 172.846 176.000 -0.127 0.000 0.940 133 Q CA -1.884 53.833 55.803 -0.143 0.000 0.785 133 Q CB 1.538 30.171 28.738 -0.175 0.000 1.467 133 Q HN -0.107 nan 8.270 nan 0.000 0.401 134 P HA 0.156 nan 4.420 nan 0.000 0.272 134 P C -0.772 176.492 177.300 -0.060 0.000 1.240 134 P CA -0.036 63.011 63.100 -0.087 0.000 0.791 134 P CB 0.285 31.939 31.700 -0.077 0.000 0.978 135 A N 0.908 123.718 122.820 -0.018 0.000 2.540 135 A HA 0.441 4.761 4.320 -0.000 0.000 0.239 135 A C 0.290 177.879 177.584 0.010 0.000 1.061 135 A CA 1.015 53.050 52.037 -0.003 0.000 0.758 135 A CB -1.087 17.922 19.000 0.014 0.000 0.991 135 A HN 0.648 nan 8.150 nan 0.000 0.502 136 A N 1.856 124.684 122.820 0.013 0.000 2.608 136 A HA 0.685 5.005 4.320 -0.000 0.000 0.292 136 A C -0.317 177.295 177.584 0.046 0.000 1.066 136 A CA -0.415 51.638 52.037 0.027 0.000 0.676 136 A CB 0.689 19.692 19.000 0.005 0.000 1.277 136 A HN 0.904 nan 8.150 nan 0.000 0.413 137 T N 1.519 116.107 114.554 0.057 0.000 2.762 137 T HA 0.480 4.830 4.350 -0.000 0.000 0.303 137 T C -0.048 174.707 174.700 0.091 0.000 0.977 137 T CA -0.048 62.100 62.100 0.081 0.000 0.961 137 T CB -0.489 68.425 68.868 0.077 0.000 0.944 137 T HN 0.701 nan 8.240 nan 0.000 0.481 138 C N 3.691 123.077 119.300 0.143 0.000 2.548 138 C HA 0.847 5.307 4.460 -0.000 0.000 0.412 138 C C -0.269 174.935 174.990 0.357 0.000 1.588 138 C CA -0.772 58.384 59.018 0.230 0.000 1.861 138 C CB 0.913 28.769 27.740 0.194 0.000 1.983 138 C HN 0.970 nan 8.230 nan 0.000 0.497 139 W N 0.234 121.559 121.300 0.041 0.000 3.042 139 W HA 0.701 5.360 4.660 -0.001 0.000 0.342 139 W C -2.011 174.555 176.519 0.079 0.000 1.240 139 W CA -1.935 55.425 57.345 0.023 0.000 1.166 139 W CB 0.391 29.795 29.460 -0.093 0.000 1.469 139 W HN 0.729 nan 8.180 nan 0.000 0.579 140 F N 0.827 120.695 119.950 -0.136 0.000 2.576 140 F HA 0.818 5.345 4.527 0.000 0.000 0.313 140 F C -0.906 174.656 175.800 -0.397 0.000 1.078 140 F CA -1.131 56.516 58.000 -0.588 0.000 0.921 140 F CB 1.683 40.127 39.000 -0.927 0.000 1.232 140 F HN 0.654 nan 8.300 nan 0.000 0.459 141 H N -0.706 118.190 119.070 -0.290 0.000 2.967 141 H HA 0.701 5.257 4.556 0.000 0.000 0.318 141 H C -3.517 171.841 175.328 0.050 0.000 1.375 141 H CA -2.421 53.572 56.048 -0.092 0.000 1.132 141 H CB 0.976 30.575 29.762 -0.271 0.000 1.848 141 H HN 0.377 nan 8.280 nan 0.000 0.524 142 P HA 0.130 nan 4.420 nan 0.000 0.272 142 P C -0.250 177.200 177.300 0.250 0.000 1.230 142 P CA 0.151 63.396 63.100 0.242 0.000 0.788 142 P CB 0.514 32.339 31.700 0.208 0.000 0.949 143 H N -0.171 118.960 119.070 0.101 0.000 2.907 143 H HA 0.144 4.700 4.556 -0.000 0.000 0.233 143 H C -0.130 175.206 175.328 0.013 0.000 1.285 143 H CA -0.336 55.740 56.048 0.047 0.000 0.981 143 H CB 0.332 30.100 29.762 0.010 0.000 2.255 143 H HN 0.342 nan 8.280 nan 0.000 0.601 144 Q N 0.791 120.659 119.800 0.115 0.000 2.315 144 Q HA 0.087 4.427 4.340 -0.000 0.000 0.289 144 Q C 0.135 176.184 176.000 0.081 0.000 1.044 144 Q CA 0.458 56.317 55.803 0.093 0.000 0.920 144 Q CB 0.078 28.859 28.738 0.073 0.000 1.214 144 Q HN 0.659 nan 8.270 nan 0.000 0.392 145 H N 2.155 121.286 119.070 0.102 0.000 3.145 145 H HA 0.364 4.920 4.556 -0.000 0.000 0.288 145 H C 1.433 176.813 175.328 0.086 0.000 0.969 145 H CA 0.306 56.428 56.048 0.123 0.000 1.444 145 H CB -0.572 29.277 29.762 0.147 0.000 1.500 145 H HN 1.341 nan 8.280 nan 0.000 0.552 146 G N 1.806 110.651 108.800 0.075 0.000 2.175 146 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.265 146 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.265 146 G C 0.920 175.848 174.900 0.047 0.000 0.979 146 G CA 0.913 46.049 45.100 0.060 0.000 0.663 146 G HN 0.804 nan 8.290 nan 0.000 0.533 147 K N -0.730 119.682 120.400 0.019 0.000 2.564 147 K HA 0.215 4.535 4.320 -0.000 0.000 0.201 147 K C 1.739 178.299 176.600 -0.067 0.000 1.086 147 K CA 0.441 56.723 56.287 -0.007 0.000 1.062 147 K CB 0.475 32.988 32.500 0.021 0.000 0.849 147 K HN 0.173 nan 8.250 nan 0.000 0.529 148 T N 0.688 115.189 114.554 -0.089 0.000 2.746 148 T HA -0.131 4.218 4.350 -0.000 0.000 0.267 148 T C 1.956 176.548 174.700 -0.180 0.000 1.039 148 T CA 1.916 63.930 62.100 -0.143 0.000 1.142 148 T CB -0.192 68.508 68.868 -0.279 0.000 0.866 148 T HN 0.512 nan 8.240 nan 0.000 0.444 149 G N 1.242 109.939 108.800 -0.171 0.000 2.421 149 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 149 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 149 G C 1.568 176.044 174.900 -0.707 0.000 1.171 149 G CA 0.983 45.953 45.100 -0.216 0.000 0.775 149 G HN 0.451 nan 8.290 nan 0.000 0.543 150 R N 0.134 120.086 120.500 -0.914 0.000 2.075 150 R HA -0.036 4.304 4.340 -0.000 0.000 0.232 150 R C 2.675 178.507 176.300 -0.780 0.000 1.126 150 R CA 1.617 56.918 56.100 -1.331 0.000 0.963 150 R CB -0.311 29.521 30.300 -0.781 0.000 0.858 150 R HN 0.424 nan 8.270 nan 0.000 0.435 151 Q N -0.247 119.330 119.800 -0.372 0.000 2.119 151 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 151 Q C 2.181 178.113 176.000 -0.113 0.000 0.972 151 Q CA 1.613 57.353 55.803 -0.105 0.000 0.847 151 Q CB 0.113 28.949 28.738 0.164 0.000 0.903 151 Q HN 0.245 nan 8.270 nan 0.000 0.433 152 V N 1.069 120.896 119.914 -0.145 0.000 2.379 152 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 152 V C 2.323 178.335 176.094 -0.137 0.000 1.044 152 V CA 1.711 63.976 62.300 -0.059 0.000 1.036 152 V CB -0.915 30.893 31.823 -0.024 0.000 0.664 152 V HN 0.353 nan 8.190 nan 0.000 0.453 153 A N -0.547 122.062 122.820 -0.352 0.000 1.978 153 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 153 A C 2.152 179.498 177.584 -0.397 0.000 1.170 153 A CA 1.770 53.549 52.037 -0.430 0.000 0.636 153 A CB -0.450 17.907 19.000 -1.071 0.000 0.810 153 A HN 0.408 nan 8.150 nan 0.000 0.448 154 M N -1.782 117.500 119.600 -0.531 0.000 2.476 154 M HA 0.043 4.523 4.480 -0.000 0.000 0.262 154 M C 1.583 177.728 176.300 -0.258 0.000 1.079 154 M CA 1.299 56.234 55.300 -0.607 0.000 1.104 154 M CB -0.725 31.057 32.600 -1.364 0.000 1.409 154 M HN 0.756 nan 8.290 nan 0.000 0.467 155 G N -0.265 108.487 108.800 -0.079 0.000 2.370 155 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.174 155 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.174 155 G C 0.004 174.972 174.900 0.113 0.000 1.002 155 G CA -0.615 44.531 45.100 0.076 0.000 0.730 155 G HN 0.329 nan 8.290 nan 0.000 0.497 156 L N 1.686 122.973 121.223 0.107 0.000 2.295 156 L HA 0.661 5.001 4.340 -0.000 0.000 0.288 156 L C 0.484 177.531 176.870 0.296 0.000 1.079 156 L CA 0.333 55.233 54.840 0.101 0.000 0.830 156 L CB 0.979 43.064 42.059 0.044 0.000 1.200 156 L HN 0.465 nan 8.230 nan 0.000 0.438 157 A N 2.865 125.901 122.820 0.359 0.000 2.594 157 A HA 0.835 5.155 4.320 -0.000 0.000 0.296 157 A C -0.603 176.982 177.584 0.001 0.000 1.061 157 A CA -0.101 52.105 52.037 0.282 0.000 0.689 157 A CB 1.597 20.811 19.000 0.357 0.000 1.280 157 A HN 0.650 nan 8.150 nan 0.000 0.406 158 G N -0.272 108.135 108.800 -0.655 0.000 2.766 158 G HA2 0.665 4.625 3.960 -0.000 0.000 0.288 158 G HA3 0.665 4.625 3.960 -0.000 0.000 0.288 158 G C -1.372 173.183 174.900 -0.574 0.000 1.408 158 G CA -0.707 43.821 45.100 -0.952 0.000 0.852 158 G HN 0.766 nan 8.290 nan 0.000 0.487 159 L N -0.506 120.655 121.223 -0.104 0.000 2.322 159 L HA 0.725 5.065 4.340 -0.000 0.000 0.269 159 L C -0.647 176.450 176.870 0.379 0.000 1.012 159 L CA -1.177 53.776 54.840 0.187 0.000 0.815 159 L CB 2.393 44.577 42.059 0.208 0.000 1.295 159 L HN 0.224 nan 8.230 nan 0.000 0.438 160 V N 2.156 122.271 119.914 0.335 0.000 2.483 160 V HA 0.325 4.445 4.120 -0.000 0.000 0.297 160 V C -0.343 175.839 176.094 0.147 0.000 1.027 160 V CA -0.655 61.807 62.300 0.270 0.000 0.855 160 V CB 1.927 33.934 31.823 0.306 0.000 0.995 160 V HN 0.370 nan 8.190 nan 0.000 0.424 161 V N 6.554 126.506 119.914 0.063 0.000 2.318 161 V HA 0.432 4.552 4.120 -0.000 0.000 0.271 161 V C 0.052 176.139 176.094 -0.011 0.000 1.030 161 V CA -0.205 62.106 62.300 0.020 0.000 0.844 161 V CB 1.085 32.867 31.823 -0.067 0.000 1.015 161 V HN 0.686 nan 8.190 nan 0.000 0.460 162 I N 4.886 125.457 120.570 0.001 0.000 2.342 162 I HA 0.389 4.559 4.170 -0.000 0.000 0.291 162 I C 0.476 176.581 176.117 -0.020 0.000 1.010 162 I CA -0.090 61.194 61.300 -0.027 0.000 1.308 162 I CB 0.888 38.867 38.000 -0.035 0.000 1.400 162 I HN 0.569 nan 8.210 nan 0.000 0.488 163 E N 5.011 125.192 120.200 -0.031 0.000 2.235 163 E HA 0.443 4.793 4.350 -0.000 0.000 0.265 163 E C -1.331 175.254 176.600 -0.025 0.000 0.940 163 E CA -0.764 55.624 56.400 -0.020 0.000 0.819 163 E CB 2.099 31.786 29.700 -0.021 0.000 1.206 163 E HN 0.629 nan 8.360 nan 0.000 0.409 164 D N -0.663 119.728 120.400 -0.014 0.000 2.798 164 D HA 0.136 4.776 4.640 -0.000 0.000 0.308 164 D C 0.006 176.302 176.300 -0.007 0.000 1.187 164 D CA -0.484 53.507 54.000 -0.015 0.000 1.033 164 D CB 0.200 40.991 40.800 -0.014 0.000 1.445 164 D HN 0.139 nan 8.370 nan 0.000 0.550 165 D N -0.391 120.007 120.400 -0.005 0.000 2.149 165 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 165 D C 1.476 177.780 176.300 0.006 0.000 0.972 165 D CA 1.016 55.016 54.000 -0.000 0.000 0.835 165 D CB 0.123 40.923 40.800 -0.000 0.000 0.966 165 D HN 0.693 nan 8.370 nan 0.000 0.476 166 E N 0.922 121.128 120.200 0.010 0.000 2.038 166 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 166 E C 2.266 178.876 176.600 0.016 0.000 1.000 166 E CA 0.761 57.171 56.400 0.016 0.000 0.803 166 E CB -0.183 29.532 29.700 0.025 0.000 0.750 166 E HN 0.202 nan 8.360 nan 0.000 0.448 167 I N 0.493 121.073 120.570 0.017 0.000 2.315 167 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 167 I C 2.003 178.129 176.117 0.015 0.000 1.117 167 I CA 0.808 62.119 61.300 0.019 0.000 1.404 167 I CB 0.110 38.124 38.000 0.024 0.000 1.071 167 I HN 0.227 nan 8.210 nan 0.000 0.419 168 L N 0.229 121.459 121.223 0.013 0.000 2.465 168 L HA -0.124 4.216 4.340 -0.000 0.000 0.224 168 L C 2.057 178.933 176.870 0.010 0.000 1.145 168 L CA 0.837 55.684 54.840 0.013 0.000 0.834 168 L CB -0.522 41.543 42.059 0.010 0.000 0.944 168 L HN 0.192 nan 8.230 nan 0.000 0.451 169 K N 0.086 120.491 120.400 0.008 0.000 2.432 169 K HA 0.008 4.328 4.320 -0.000 0.000 0.196 169 K C 1.839 178.439 176.600 0.002 0.000 1.038 169 K CA 0.563 56.853 56.287 0.006 0.000 0.986 169 K CB 0.154 32.658 32.500 0.006 0.000 0.782 169 K HN 0.311 nan 8.250 nan 0.000 0.485 170 L N 0.224 121.447 121.223 -0.001 0.000 2.418 170 L HA 0.055 4.394 4.340 -0.000 0.000 0.218 170 L C 0.108 176.965 176.870 -0.021 0.000 1.125 170 L CA 0.058 54.891 54.840 -0.013 0.000 0.835 170 L CB -0.188 41.862 42.059 -0.015 0.000 0.953 170 L HN 0.249 nan 8.230 nan 0.000 0.454 171 M N -0.432 119.163 119.600 -0.008 0.000 2.503 171 M HA -0.176 4.304 4.480 -0.000 0.000 0.208 171 M C -0.235 176.054 176.300 -0.019 0.000 0.434 171 M CA 0.826 56.123 55.300 -0.005 0.000 0.551 171 M CB -2.711 29.886 32.600 -0.005 0.000 2.025 171 M HN 0.080 nan 8.290 nan 0.000 0.827 172 L N 0.567 121.780 121.223 -0.017 0.000 2.466 172 L HA 0.340 4.680 4.340 -0.000 0.000 0.257 172 L C -1.296 175.586 176.870 0.021 0.000 1.189 172 L CA -1.658 53.167 54.840 -0.025 0.000 0.813 172 L CB 0.128 42.179 42.059 -0.013 0.000 1.118 172 L HN 0.015 nan 8.230 nan 0.000 0.471 173 P HA -0.002 nan 4.420 nan 0.000 0.264 173 P C -0.606 176.743 177.300 0.083 0.000 1.193 173 P CA 0.247 63.394 63.100 0.078 0.000 0.763 173 P CB 0.265 32.027 31.700 0.104 0.000 0.810 174 K N 1.274 121.732 120.400 0.096 0.000 2.554 174 K HA 0.140 4.459 4.320 -0.000 0.000 0.211 174 K C -0.152 176.540 176.600 0.154 0.000 1.226 174 K CA -0.279 56.081 56.287 0.122 0.000 1.025 174 K CB 0.365 32.920 32.500 0.092 0.000 1.021 174 K HN 0.282 nan 8.250 nan 0.000 0.600 175 Q N 2.156 122.037 119.800 0.135 0.000 2.369 175 Q HA 0.072 4.411 4.340 -0.000 0.000 0.247 175 Q C -1.074 175.038 176.000 0.187 0.000 1.083 175 Q CA -0.552 55.340 55.803 0.149 0.000 0.905 175 Q CB 0.442 29.244 28.738 0.108 0.000 1.305 175 Q HN 0.263 nan 8.270 nan 0.000 0.465 176 W N 2.905 124.231 121.300 0.044 0.000 2.347 176 W HA 0.061 4.721 4.660 -0.000 0.000 0.333 176 W C 0.816 177.367 176.519 0.053 0.000 1.383 176 W CA 1.702 59.071 57.345 0.041 0.000 1.283 176 W CB 0.470 29.953 29.460 0.038 0.000 1.253 176 W HN 0.969 nan 8.180 nan 0.000 0.563 177 G N 4.396 112.869 108.800 -0.546 0.000 2.168 177 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.263 177 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.263 177 G C 0.455 175.361 174.900 0.009 0.000 0.977 177 G CA 0.671 45.574 45.100 -0.330 0.000 0.659 177 G HN 0.599 nan 8.290 nan 0.000 0.533 178 I N -0.490 120.104 120.570 0.041 0.000 3.809 178 I HA 0.187 4.357 4.170 -0.000 0.000 0.245 178 I C 1.771 177.994 176.117 0.177 0.000 1.119 178 I CA 0.816 62.198 61.300 0.136 0.000 1.597 178 I CB -0.064 37.987 38.000 0.085 0.000 1.605 178 I HN 0.125 nan 8.210 nan 0.000 0.441 179 D N -1.084 119.374 120.400 0.096 0.000 2.433 179 D HA 0.028 4.668 4.640 -0.000 0.000 0.211 179 D C 0.060 176.384 176.300 0.040 0.000 1.114 179 D CA 0.150 54.206 54.000 0.092 0.000 0.837 179 D CB 0.102 40.965 40.800 0.106 0.000 0.984 179 D HN 0.068 nan 8.370 nan 0.000 0.505 180 D N 1.030 121.421 120.400 -0.014 0.000 2.446 180 D HA 0.274 4.914 4.640 -0.000 0.000 0.251 180 D C -1.171 174.944 176.300 -0.308 0.000 1.137 180 D CA -0.847 53.124 54.000 -0.049 0.000 0.890 180 D CB 1.380 42.242 40.800 0.104 0.000 1.071 180 D HN -0.041 nan 8.370 nan 0.000 0.528 181 V N 2.827 122.521 119.914 -0.367 0.000 2.577 181 V HA 0.781 4.900 4.120 -0.000 0.000 0.303 181 V C -2.881 172.931 176.094 -0.470 0.000 1.042 181 V CA -2.201 59.741 62.300 -0.597 0.000 0.872 181 V CB 2.465 33.884 31.823 -0.674 0.000 0.998 181 V HN 0.281 nan 8.190 nan 0.000 0.423 182 P HA 0.324 nan 4.420 nan 0.000 0.280 182 P C -0.817 176.357 177.300 -0.210 0.000 1.244 182 P CA -0.103 62.845 63.100 -0.254 0.000 0.784 182 P CB 1.629 33.257 31.700 -0.121 0.000 0.913 183 V N 5.328 125.144 119.914 -0.164 0.000 2.385 183 V HA 0.297 4.417 4.120 -0.000 0.000 0.277 183 V C 0.312 176.337 176.094 -0.115 0.000 1.012 183 V CA -0.356 61.855 62.300 -0.148 0.000 0.832 183 V CB 0.891 32.593 31.823 -0.200 0.000 1.028 183 V HN 0.407 nan 8.190 nan 0.000 0.436 184 I N 4.927 125.456 120.570 -0.068 0.000 2.291 184 I HA 0.373 4.543 4.170 -0.000 0.000 0.290 184 I C -0.242 175.869 176.117 -0.009 0.000 1.050 184 I CA -0.489 60.772 61.300 -0.066 0.000 1.245 184 I CB 1.470 39.440 38.000 -0.050 0.000 1.405 184 I HN 0.266 nan 8.210 nan 0.000 0.478 185 V N 6.802 126.724 119.914 0.013 0.000 2.394 185 V HA 0.440 4.560 4.120 -0.000 0.000 0.282 185 V C -0.109 175.999 176.094 0.022 0.000 1.031 185 V CA -0.465 61.880 62.300 0.075 0.000 0.881 185 V CB 1.294 33.245 31.823 0.213 0.000 0.982 185 V HN 0.712 nan 8.190 nan 0.000 0.451 186 Q N 2.651 122.465 119.800 0.023 0.000 2.340 186 Q HA 0.420 4.760 4.340 -0.000 0.000 0.276 186 Q C -1.657 174.328 176.000 -0.025 0.000 1.048 186 Q CA -0.910 54.892 55.803 -0.002 0.000 0.832 186 Q CB 2.980 31.737 28.738 0.031 0.000 1.373 186 Q HN 0.892 nan 8.270 nan 0.000 0.409 187 D N 1.236 121.579 120.400 -0.094 0.000 2.181 187 D HA 0.502 5.142 4.640 -0.000 0.000 0.248 187 D C -0.724 175.444 176.300 -0.220 0.000 1.020 187 D CA -0.464 53.435 54.000 -0.167 0.000 0.891 187 D CB 1.791 42.396 40.800 -0.325 0.000 1.187 187 D HN 0.278 nan 8.370 nan 0.000 0.443 188 K N 0.447 120.673 120.400 -0.289 0.000 2.512 188 K HA 0.444 4.764 4.320 -0.000 0.000 0.263 188 K C -0.825 175.397 176.600 -0.629 0.000 0.966 188 K CA -0.938 55.055 56.287 -0.489 0.000 0.851 188 K CB 2.935 35.115 32.500 -0.534 0.000 1.395 188 K HN 0.313 nan 8.250 nan 0.000 0.440 189 K N 1.817 121.791 120.400 -0.711 0.000 2.324 189 K HA 0.486 4.806 4.320 -0.000 0.000 0.253 189 K C -1.548 174.769 176.600 -0.472 0.000 0.932 189 K CA -0.523 55.493 56.287 -0.451 0.000 0.799 189 K CB 0.827 33.083 32.500 -0.406 0.000 1.154 189 K HN 0.320 nan 8.250 nan 0.000 0.425 190 F N 0.863 120.833 119.950 0.033 0.000 2.532 190 F HA 0.370 4.897 4.527 0.001 0.000 0.321 190 F C 0.546 176.377 175.800 0.051 0.000 1.089 190 F CA -0.752 57.282 58.000 0.056 0.000 0.926 190 F CB 2.076 41.102 39.000 0.044 0.000 1.168 190 F HN 0.380 nan 8.300 nan 0.000 0.459 191 S N 0.723 116.562 115.700 0.232 0.000 2.606 191 S HA 0.289 4.759 4.470 -0.000 0.000 0.257 191 S C 1.269 175.954 174.600 0.141 0.000 1.327 191 S CA -0.024 58.264 58.200 0.146 0.000 0.984 191 S CB 0.947 64.215 63.200 0.113 0.000 0.941 191 S HN 0.794 nan 8.310 nan 0.000 0.576 192 A N 1.308 124.183 122.820 0.091 0.000 1.972 192 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 192 A C 1.647 179.272 177.584 0.069 0.000 1.169 192 A CA 1.731 53.811 52.037 0.071 0.000 0.635 192 A CB -0.845 18.184 19.000 0.049 0.000 0.810 192 A HN 0.879 nan 8.150 nan 0.000 0.446 193 D N -1.906 118.539 120.400 0.075 0.000 2.378 193 D HA 0.192 4.832 4.640 -0.000 0.000 0.222 193 D C 1.261 177.612 176.300 0.084 0.000 0.980 193 D CA 1.240 55.281 54.000 0.069 0.000 0.907 193 D CB -0.610 40.229 40.800 0.066 0.000 0.899 193 D HN 0.849 nan 8.370 nan 0.000 0.527 194 G N -0.931 107.938 108.800 0.116 0.000 2.194 194 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.236 194 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.236 194 G C 0.153 175.209 174.900 0.259 0.000 0.987 194 G CA -0.066 45.111 45.100 0.129 0.000 0.635 194 G HN 0.358 nan 8.290 nan 0.000 0.520 195 Q N 0.287 120.230 119.800 0.239 0.000 2.354 195 Q HA 0.492 4.832 4.340 -0.000 0.000 0.244 195 Q C 1.081 177.266 176.000 0.308 0.000 0.969 195 Q CA -0.347 55.606 55.803 0.250 0.000 0.885 195 Q CB 0.903 29.725 28.738 0.139 0.000 1.241 195 Q HN 0.540 nan 8.270 nan 0.000 0.461 196 I N 1.798 122.506 120.570 0.230 0.000 2.668 196 I HA -0.149 4.021 4.170 -0.000 0.000 0.285 196 I C 0.562 176.697 176.117 0.030 0.000 1.168 196 I CA 0.272 61.591 61.300 0.032 0.000 1.424 196 I CB 0.125 38.072 38.000 -0.088 0.000 1.377 196 I HN 0.410 nan 8.210 nan 0.000 0.560 197 D N 7.199 127.639 120.400 0.068 0.000 2.500 197 D HA 0.117 4.756 4.640 -0.000 0.000 0.219 197 D C -1.014 175.405 176.300 0.199 0.000 1.137 197 D CA -0.184 53.881 54.000 0.108 0.000 0.946 197 D CB 0.113 40.973 40.800 0.101 0.000 1.022 197 D HN 0.288 nan 8.370 nan 0.000 0.518 198 Y N 3.212 123.416 120.300 -0.160 0.000 2.360 198 Y HA 0.450 5.001 4.550 0.001 0.000 0.337 198 Y C -0.918 174.812 175.900 -0.283 0.000 1.039 198 Y CA -0.517 57.279 58.100 -0.507 0.000 1.109 198 Y CB 1.129 39.064 38.460 -0.875 0.000 1.201 198 Y HN 0.287 nan 8.280 nan 0.000 0.458 199 Q N 6.181 125.334 119.800 -1.079 0.000 2.320 199 Q HA 0.283 4.623 4.340 -0.000 0.000 0.272 199 Q C -2.412 173.164 176.000 -0.707 0.000 1.023 199 Q CA -1.002 54.439 55.803 -0.604 0.000 0.855 199 Q CB 1.993 30.589 28.738 -0.236 0.000 1.367 199 Q HN 0.785 nan 8.270 nan 0.000 0.406 200 L N 3.802 124.851 121.223 -0.289 0.000 2.314 200 L HA 0.402 4.742 4.340 -0.000 0.000 0.275 200 L C -1.190 175.691 176.870 0.019 0.000 1.068 200 L CA 0.240 55.034 54.840 -0.077 0.000 0.894 200 L CB 0.028 42.173 42.059 0.143 0.000 1.275 200 L HN 0.743 nan 8.230 nan 0.000 0.432 201 D N 1.830 122.110 120.400 -0.200 0.000 2.689 201 D HA 0.132 4.771 4.640 -0.000 0.000 0.255 201 D C 0.858 176.594 176.300 -0.941 0.000 1.113 201 D CA -0.516 53.208 54.000 -0.460 0.000 1.115 201 D CB 0.828 41.478 40.800 -0.249 0.000 1.334 201 D HN 0.026 nan 8.370 nan 0.000 0.621 202 V N -0.037 119.244 119.914 -1.055 0.000 2.490 202 V HA -0.178 3.942 4.120 -0.000 0.000 0.250 202 V C 2.191 178.091 176.094 -0.325 0.000 1.061 202 V CA 2.088 63.886 62.300 -0.837 0.000 1.064 202 V CB -0.603 30.968 31.823 -0.419 0.000 0.670 202 V HN 0.606 nan 8.190 nan 0.000 0.461 203 M N 0.303 119.774 119.600 -0.214 0.000 2.077 203 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 203 M C 2.317 178.606 176.300 -0.019 0.000 1.070 203 M CA 2.719 57.978 55.300 -0.068 0.000 1.125 203 M CB -0.375 32.204 32.600 -0.035 0.000 1.339 203 M HN 0.652 nan 8.290 nan 0.000 0.409 204 T N -1.419 113.097 114.554 -0.064 0.000 2.867 204 T HA 0.039 4.388 4.350 -0.000 0.000 0.268 204 T C 1.767 176.512 174.700 0.076 0.000 1.057 204 T CA 1.060 63.169 62.100 0.015 0.000 1.136 204 T CB -0.794 68.058 68.868 -0.027 0.000 0.874 204 T HN 0.453 nan 8.240 nan 0.000 0.466 205 A N 1.311 124.137 122.820 0.011 0.000 2.070 205 A HA 0.400 4.720 4.320 -0.000 0.000 0.220 205 A C 2.605 180.333 177.584 0.240 0.000 1.159 205 A CA 1.633 53.752 52.037 0.136 0.000 0.656 205 A CB -1.022 18.035 19.000 0.094 0.000 0.800 205 A HN 0.761 nan 8.150 nan 0.000 0.453 206 A N -0.745 122.181 122.820 0.177 0.000 1.887 206 A HA 0.255 4.575 4.320 -0.000 0.000 0.210 206 A C 2.048 179.854 177.584 0.370 0.000 1.221 206 A CA 1.508 53.678 52.037 0.223 0.000 0.635 206 A CB -0.592 18.481 19.000 0.122 0.000 0.881 206 A HN 1.099 nan 8.150 nan 0.000 0.456 207 V N -4.082 115.972 119.914 0.233 0.000 3.621 207 V HA 0.587 4.707 4.120 -0.000 0.000 0.263 207 V C 0.879 177.042 176.094 0.114 0.000 1.272 207 V CA 0.616 63.016 62.300 0.167 0.000 1.080 207 V CB -0.636 31.275 31.823 0.148 0.000 0.816 207 V HN 1.778 nan 8.190 nan 0.000 0.451 208 G N -0.654 108.229 108.800 0.138 0.000 2.570 208 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.686 208 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.686 208 G C -1.205 173.837 174.900 0.236 0.000 1.257 208 G CA -0.329 44.852 45.100 0.134 0.000 0.846 208 G HN 1.003 nan 8.290 nan 0.000 0.627 209 W N 2.454 123.768 121.300 0.024 0.000 2.358 209 W HA 0.704 5.363 4.660 -0.001 0.000 0.307 209 W C 0.077 176.606 176.519 0.015 0.000 1.203 209 W CA -0.882 56.417 57.345 -0.076 0.000 1.279 209 W CB 0.207 29.642 29.460 -0.043 0.000 1.264 209 W HN 0.686 nan 8.180 nan 0.000 0.474 210 F N 4.385 123.929 119.950 -0.678 0.000 2.613 210 F HA 0.978 5.503 4.527 -0.003 0.000 0.314 210 F C 0.001 175.253 175.800 -0.913 0.000 1.075 210 F CA -1.286 56.274 58.000 -0.734 0.000 0.945 210 F CB 0.909 39.623 39.000 -0.477 0.000 1.310 210 F HN 0.440 nan 8.300 nan 0.000 0.467 211 G N -0.132 108.295 108.800 -0.621 0.000 3.140 211 G HA2 0.431 4.391 3.960 -0.000 0.000 0.271 211 G HA3 0.431 4.391 3.960 -0.000 0.000 0.271 211 G C -1.170 173.664 174.900 -0.111 0.000 1.370 211 G CA -0.293 44.504 45.100 -0.505 0.000 1.014 211 G HN 0.809 nan 8.290 nan 0.000 0.541 212 D N -1.724 118.690 120.400 0.022 0.000 2.433 212 D HA 0.133 4.773 4.640 -0.000 0.000 0.211 212 D C 0.399 176.867 176.300 0.281 0.000 1.114 212 D CA 0.171 54.320 54.000 0.249 0.000 0.837 212 D CB 0.391 41.297 40.800 0.177 0.000 0.984 212 D HN 0.170 nan 8.370 nan 0.000 0.505 213 T N 1.170 115.843 114.554 0.199 0.000 2.797 213 T HA 0.489 4.839 4.350 -0.000 0.000 0.279 213 T C -0.744 174.068 174.700 0.187 0.000 0.991 213 T CA -0.645 61.589 62.100 0.223 0.000 0.979 213 T CB 2.037 71.095 68.868 0.317 0.000 0.943 213 T HN -0.019 nan 8.240 nan 0.000 0.444 214 L N 4.246 125.589 121.223 0.200 0.000 2.296 214 L HA 0.605 4.944 4.340 -0.000 0.000 0.286 214 L C -1.168 175.798 176.870 0.161 0.000 1.023 214 L CA -0.501 54.427 54.840 0.147 0.000 0.812 214 L CB 0.675 42.773 42.059 0.065 0.000 1.223 214 L HN 0.580 nan 8.230 nan 0.000 0.421 215 L N 4.026 125.326 121.223 0.129 0.000 2.334 215 L HA 0.657 4.997 4.340 -0.000 0.000 0.276 215 L C -0.368 176.585 176.870 0.138 0.000 1.014 215 L CA -0.561 54.375 54.840 0.159 0.000 0.815 215 L CB 1.986 44.141 42.059 0.161 0.000 1.268 215 L HN 0.511 nan 8.230 nan 0.000 0.428 216 T N 1.301 115.945 114.554 0.149 0.000 2.892 216 T HA 0.232 4.582 4.350 -0.000 0.000 0.311 216 T C -0.136 174.623 174.700 0.099 0.000 1.033 216 T CA -0.554 61.614 62.100 0.112 0.000 0.991 216 T CB 0.595 69.534 68.868 0.119 0.000 0.981 216 T HN 0.595 nan 8.240 nan 0.000 0.457 217 N N 2.242 120.987 118.700 0.075 0.000 2.716 217 N HA -0.234 4.505 4.740 -0.000 0.000 0.250 217 N C 1.275 176.863 175.510 0.129 0.000 1.033 217 N CA 1.718 54.817 53.050 0.082 0.000 0.727 217 N CB -1.351 37.165 38.487 0.049 0.000 0.950 217 N HN 1.294 nan 8.380 nan 0.000 0.541 218 G N -2.802 106.103 108.800 0.175 0.000 2.234 218 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.260 218 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.260 218 G C 0.246 175.337 174.900 0.318 0.000 0.987 218 G CA 0.830 46.093 45.100 0.271 0.000 0.625 218 G HN 1.211 nan 8.290 nan 0.000 0.532 219 A N -0.298 122.655 122.820 0.222 0.000 2.311 219 A HA 0.827 5.147 4.320 -0.000 0.000 0.334 219 A C 0.095 177.814 177.584 0.226 0.000 1.139 219 A CA -0.626 51.535 52.037 0.207 0.000 0.830 219 A CB 0.858 19.937 19.000 0.132 0.000 1.234 219 A HN 0.678 nan 8.150 nan 0.000 0.483 220 I N 1.987 122.693 120.570 0.226 0.000 2.312 220 I HA 0.141 4.311 4.170 -0.000 0.000 0.291 220 I C -0.181 176.095 176.117 0.265 0.000 1.031 220 I CA -0.155 61.289 61.300 0.240 0.000 1.293 220 I CB 0.358 38.491 38.000 0.221 0.000 1.403 220 I HN 0.664 nan 8.210 nan 0.000 0.484 221 Y N 7.588 127.953 120.300 0.107 0.000 2.980 221 Y HA -0.165 4.386 4.550 0.001 0.000 0.199 221 Y C -2.289 173.639 175.900 0.046 0.000 1.319 221 Y CA -0.951 57.192 58.100 0.073 0.000 0.877 221 Y CB -1.625 36.863 38.460 0.047 0.000 1.259 221 Y HN 0.397 nan 8.280 nan 0.000 0.437 222 P HA 0.194 nan 4.420 nan 0.000 0.277 222 P C -0.833 176.482 177.300 0.025 0.000 1.271 222 P CA -0.247 62.892 63.100 0.064 0.000 0.795 222 P CB 0.880 32.629 31.700 0.082 0.000 1.101 223 Q N -0.056 119.727 119.800 -0.029 0.000 2.309 223 Q HA 0.508 4.848 4.340 -0.000 0.000 0.264 223 Q C -1.100 174.909 176.000 0.015 0.000 1.008 223 Q CA -0.736 55.044 55.803 -0.039 0.000 0.853 223 Q CB 1.343 30.019 28.738 -0.103 0.000 1.314 223 Q HN 0.479 nan 8.270 nan 0.000 0.448 224 H N 1.191 120.212 119.070 -0.081 0.000 2.495 224 H HA 0.620 5.176 4.556 -0.000 0.000 0.348 224 H C -1.475 173.801 175.328 -0.087 0.000 1.113 224 H CA -0.374 55.625 56.048 -0.081 0.000 1.195 224 H CB 1.819 31.529 29.762 -0.087 0.000 1.521 224 H HN 0.851 nan 8.280 nan 0.000 0.509 225 A N 4.050 126.393 122.820 -0.795 0.000 2.279 225 A HA 0.672 4.992 4.320 -0.000 0.000 0.306 225 A C -0.547 176.696 177.584 -0.568 0.000 1.300 225 A CA -0.005 51.728 52.037 -0.508 0.000 0.925 225 A CB -0.438 18.363 19.000 -0.332 0.000 1.152 225 A HN 0.826 nan 8.150 nan 0.000 0.544 226 A N 5.003 127.689 122.820 -0.224 0.000 2.318 226 A HA 0.806 5.125 4.320 -0.000 0.000 0.317 226 A C -2.899 174.682 177.584 -0.005 0.000 1.159 226 A CA -1.914 50.105 52.037 -0.029 0.000 0.799 226 A CB 0.778 19.845 19.000 0.111 0.000 1.194 226 A HN 0.546 nan 8.150 nan 0.000 0.479 227 P HA 0.088 nan 4.420 nan 0.000 0.267 227 P C -0.310 177.000 177.300 0.016 0.000 1.200 227 P CA -0.106 63.003 63.100 0.015 0.000 0.772 227 P CB 0.405 32.123 31.700 0.032 0.000 0.855 228 R N 1.981 122.480 120.500 -0.003 0.000 2.640 228 R HA 0.376 4.716 4.340 -0.000 0.000 0.270 228 R C 1.291 177.563 176.300 -0.046 0.000 1.024 228 R CA 1.228 57.311 56.100 -0.028 0.000 1.085 228 R CB -0.644 29.636 30.300 -0.033 0.000 0.963 228 R HN 0.897 nan 8.270 nan 0.000 0.426 229 G N 2.178 110.902 108.800 -0.127 0.000 2.541 229 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.208 229 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.208 229 G C -1.562 173.130 174.900 -0.347 0.000 1.191 229 G CA -0.608 44.372 45.100 -0.201 0.000 1.217 229 G HN 0.530 nan 8.290 nan 0.000 0.566 230 W N 0.297 121.598 121.300 0.002 0.000 2.573 230 W HA 0.737 5.397 4.660 -0.001 0.000 0.326 230 W C -0.186 176.349 176.519 0.026 0.000 1.049 230 W CA -0.736 56.608 57.345 -0.002 0.000 1.220 230 W CB 1.830 31.268 29.460 -0.036 0.000 1.373 230 W HN 0.515 nan 8.180 nan 0.000 0.507 231 L N 4.270 125.674 121.223 0.303 0.000 2.322 231 L HA 0.568 4.907 4.340 -0.000 0.000 0.281 231 L C -0.399 176.583 176.870 0.187 0.000 1.014 231 L CA -1.196 53.767 54.840 0.204 0.000 0.815 231 L CB 1.249 43.414 42.059 0.178 0.000 1.247 231 L HN 0.474 nan 8.230 nan 0.000 0.421 232 R N 5.678 126.242 120.500 0.106 0.000 2.295 232 R HA 0.619 4.959 4.340 -0.000 0.000 0.324 232 R C -1.729 174.567 176.300 -0.007 0.000 0.968 232 R CA -0.570 55.568 56.100 0.063 0.000 0.837 232 R CB 0.690 31.022 30.300 0.054 0.000 1.133 232 R HN 0.786 nan 8.270 nan 0.000 0.450 233 L N 5.556 126.773 121.223 -0.011 0.000 2.305 233 L HA 0.522 4.862 4.340 -0.000 0.000 0.284 233 L C 0.001 176.831 176.870 -0.067 0.000 1.013 233 L CA -0.830 53.961 54.840 -0.081 0.000 0.819 233 L CB 1.878 43.877 42.059 -0.099 0.000 1.227 233 L HN 0.536 nan 8.230 nan 0.000 0.417 234 R N 4.596 125.044 120.500 -0.087 0.000 2.287 234 R HA 0.463 4.803 4.340 -0.000 0.000 0.327 234 R C -0.940 175.298 176.300 -0.103 0.000 1.109 234 R CA -0.445 55.627 56.100 -0.047 0.000 1.013 234 R CB 0.542 30.848 30.300 0.010 0.000 1.126 234 R HN 0.500 nan 8.270 nan 0.000 0.503 235 L N 4.344 125.498 121.223 -0.116 0.000 2.290 235 L HA 0.343 4.683 4.340 -0.000 0.000 0.284 235 L C -0.447 176.342 176.870 -0.134 0.000 1.078 235 L CA -0.739 53.982 54.840 -0.198 0.000 0.815 235 L CB 0.789 42.662 42.059 -0.310 0.000 1.162 235 L HN 0.337 nan 8.230 nan 0.000 0.435 236 L N 4.375 125.496 121.223 -0.169 0.000 2.372 236 L HA 0.421 4.761 4.340 -0.000 0.000 0.274 236 L C -0.363 176.394 176.870 -0.188 0.000 0.988 236 L CA -0.326 54.351 54.840 -0.270 0.000 0.833 236 L CB 1.397 43.195 42.059 -0.435 0.000 1.236 236 L HN 0.439 nan 8.230 nan 0.000 0.410 237 N N 3.449 122.067 118.700 -0.137 0.000 2.421 237 N HA 0.248 4.988 4.740 -0.000 0.000 0.260 237 N C 0.664 175.994 175.510 -0.300 0.000 1.173 237 N CA 0.538 53.524 53.050 -0.107 0.000 0.960 237 N CB 1.066 39.539 38.487 -0.023 0.000 1.273 237 N HN 0.851 nan 8.380 nan 0.000 0.497 238 G N 2.384 111.019 108.800 -0.274 0.000 3.523 238 G HA2 0.093 4.053 3.960 -0.000 0.000 0.270 238 G HA3 0.093 4.053 3.960 -0.000 0.000 0.270 238 G C 0.341 175.213 174.900 -0.045 0.000 1.134 238 G CA -0.247 44.678 45.100 -0.290 0.000 0.825 238 G HN 0.565 nan 8.290 nan 0.000 0.534 239 C N 0.364 119.648 119.300 -0.027 0.000 2.657 239 C HA 0.173 4.633 4.460 -0.000 0.000 0.404 239 C C 1.812 176.863 174.990 0.102 0.000 1.291 239 C CA -0.472 58.559 59.018 0.022 0.000 2.218 239 C CB 0.875 28.584 27.740 -0.053 0.000 2.687 239 C HN 0.488 nan 8.230 nan 0.000 0.634 240 N N 0.861 119.659 118.700 0.163 0.000 2.188 240 N HA -0.029 4.711 4.740 -0.000 0.000 0.184 240 N C 1.215 176.810 175.510 0.141 0.000 1.018 240 N CA 1.743 54.909 53.050 0.195 0.000 0.858 240 N CB -0.046 38.646 38.487 0.341 0.000 0.989 240 N HN 0.837 nan 8.380 nan 0.000 0.426 241 A N -1.185 121.689 122.820 0.090 0.000 2.533 241 A HA 0.194 4.513 4.320 -0.000 0.000 0.180 241 A C 0.638 178.184 177.584 -0.064 0.000 1.566 241 A CA -0.408 51.641 52.037 0.021 0.000 1.153 241 A CB 0.268 19.293 19.000 0.043 0.000 1.462 241 A HN 0.083 nan 8.150 nan 0.000 0.523 242 R N 2.101 122.536 120.500 -0.108 0.000 2.316 242 R HA 0.377 4.717 4.340 -0.000 0.000 0.314 242 R C 0.018 176.213 176.300 -0.175 0.000 1.069 242 R CA 0.645 56.614 56.100 -0.218 0.000 0.959 242 R CB 0.442 30.545 30.300 -0.327 0.000 0.987 242 R HN 0.456 nan 8.270 nan 0.000 0.446 243 S N 4.465 120.059 115.700 -0.176 0.000 2.601 243 S HA 0.441 4.911 4.470 -0.000 0.000 0.271 243 S C 0.075 174.551 174.600 -0.207 0.000 1.305 243 S CA -0.781 57.335 58.200 -0.140 0.000 1.022 243 S CB 1.201 64.344 63.200 -0.096 0.000 0.940 243 S HN 0.516 nan 8.310 nan 0.000 0.525 244 L N 1.012 122.099 121.223 -0.226 0.000 2.257 244 L HA 0.667 5.007 4.340 -0.000 0.000 0.257 244 L C -0.552 176.083 176.870 -0.392 0.000 1.033 244 L CA -0.969 53.639 54.840 -0.387 0.000 0.835 244 L CB 1.746 43.437 42.059 -0.614 0.000 1.398 244 L HN 0.730 nan 8.230 nan 0.000 0.429 245 N N 0.522 118.914 118.700 -0.515 0.000 2.747 245 N HA 0.322 5.062 4.740 -0.000 0.000 0.262 245 N C -1.588 173.738 175.510 -0.305 0.000 1.261 245 N CA -0.331 52.524 53.050 -0.325 0.000 0.809 245 N CB 0.616 39.005 38.487 -0.164 0.000 1.450 245 N HN 0.257 nan 8.380 nan 0.000 0.560 246 F N 1.759 121.695 119.950 -0.024 0.000 2.399 246 F HA 0.747 5.275 4.527 0.002 0.000 0.342 246 F C 1.205 176.991 175.800 -0.022 0.000 1.106 246 F CA 0.009 58.001 58.000 -0.012 0.000 1.196 246 F CB 1.281 40.277 39.000 -0.006 0.000 1.163 246 F HN 0.482 nan 8.300 nan 0.000 0.547 247 A N 0.704 123.645 122.820 0.201 0.000 2.529 247 A HA 0.805 5.125 4.320 -0.000 0.000 0.296 247 A C -0.688 176.981 177.584 0.142 0.000 1.205 247 A CA -0.463 51.641 52.037 0.112 0.000 0.671 247 A CB 1.081 20.112 19.000 0.051 0.000 1.301 247 A HN 0.687 nan 8.150 nan 0.000 0.450 248 T N -2.000 112.619 114.554 0.109 0.000 2.940 248 T HA 0.536 4.886 4.350 -0.000 0.000 0.288 248 T C 1.112 175.882 174.700 0.116 0.000 1.033 248 T CA 0.278 62.475 62.100 0.163 0.000 1.033 248 T CB 1.355 70.295 68.868 0.120 0.000 1.079 248 T HN 1.567 nan 8.240 nan 0.000 0.496 249 S N 0.628 116.429 115.700 0.169 0.000 2.399 249 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 249 S C 1.153 175.790 174.600 0.062 0.000 1.022 249 S CA 1.240 59.505 58.200 0.109 0.000 0.983 249 S CB -0.677 62.607 63.200 0.141 0.000 0.803 249 S HN 0.921 nan 8.310 nan 0.000 0.480 250 D N 0.639 121.063 120.400 0.042 0.000 2.402 250 D HA 0.130 4.770 4.640 -0.000 0.000 0.216 250 D C 0.016 176.286 176.300 -0.050 0.000 1.128 250 D CA -0.297 53.694 54.000 -0.016 0.000 0.833 250 D CB -0.998 39.774 40.800 -0.046 0.000 0.971 250 D HN 0.293 nan 8.370 nan 0.000 0.503 251 N N 0.888 119.567 118.700 -0.035 0.000 2.741 251 N HA -0.219 4.521 4.740 -0.000 0.000 0.251 251 N C -0.215 175.250 175.510 -0.075 0.000 1.112 251 N CA 0.860 53.884 53.050 -0.044 0.000 0.750 251 N CB -1.504 36.961 38.487 -0.037 0.000 1.119 251 N HN 0.665 nan 8.380 nan 0.000 0.561 252 R N 0.843 121.271 120.500 -0.121 0.000 2.623 252 R HA 0.314 4.653 4.340 -0.000 0.000 0.271 252 R C -2.318 173.926 176.300 -0.094 0.000 1.043 252 R CA -0.793 55.226 56.100 -0.135 0.000 1.083 252 R CB 0.102 30.256 30.300 -0.242 0.000 0.974 252 R HN -0.045 nan 8.270 nan 0.000 0.436 253 P HA 0.097 nan 4.420 nan 0.000 0.274 253 P C -0.715 176.516 177.300 -0.115 0.000 1.246 253 P CA -0.316 62.686 63.100 -0.162 0.000 0.795 253 P CB 0.723 32.238 31.700 -0.310 0.000 1.006 254 L N 1.290 122.419 121.223 -0.157 0.000 2.329 254 L HA 0.395 4.735 4.340 -0.000 0.000 0.279 254 L C -0.310 176.459 176.870 -0.169 0.000 1.014 254 L CA -0.913 53.901 54.840 -0.043 0.000 0.814 254 L CB 0.841 42.886 42.059 -0.024 0.000 1.257 254 L HN 0.303 nan 8.230 nan 0.000 0.424 255 Y N 2.095 122.421 120.300 0.044 0.000 2.434 255 Y HA 0.329 4.879 4.550 0.000 0.000 0.341 255 Y C 0.110 176.005 175.900 -0.008 0.000 0.965 255 Y CA -0.784 57.323 58.100 0.011 0.000 1.205 255 Y CB 1.194 39.659 38.460 0.008 0.000 1.121 255 Y HN 0.187 nan 8.280 nan 0.000 0.507 256 V N 5.974 125.929 119.914 0.068 0.000 2.455 256 V HA 0.049 4.169 4.120 -0.000 0.000 0.273 256 V C 1.045 177.209 176.094 0.116 0.000 1.045 256 V CA 0.073 62.416 62.300 0.071 0.000 0.976 256 V CB 0.464 32.283 31.823 -0.006 0.000 0.993 256 V HN 0.861 nan 8.190 nan 0.000 0.475 257 I N 1.743 122.388 120.570 0.126 0.000 4.288 257 I HA 0.782 4.952 4.170 -0.000 0.000 0.331 257 I C 0.652 176.844 176.117 0.125 0.000 1.322 257 I CA 0.155 61.515 61.300 0.099 0.000 1.149 257 I CB 0.531 38.559 38.000 0.047 0.000 1.112 257 I HN 0.528 nan 8.210 nan 0.000 0.403 258 A N 0.790 123.717 122.820 0.178 0.000 2.594 258 A HA 0.799 5.119 4.320 -0.000 0.000 0.295 258 A C -0.364 177.351 177.584 0.218 0.000 1.071 258 A CA 0.060 52.198 52.037 0.169 0.000 0.685 258 A CB 1.206 20.273 19.000 0.113 0.000 1.285 258 A HN 0.317 nan 8.150 nan 0.000 0.405 259 S N -0.145 115.622 115.700 0.111 0.000 2.837 259 S HA 0.543 5.013 4.470 -0.000 0.000 0.314 259 S C 0.173 174.665 174.600 -0.179 0.000 1.098 259 S CA -0.040 58.075 58.200 -0.141 0.000 0.903 259 S CB 0.490 63.680 63.200 -0.015 0.000 1.310 259 S HN 0.537 nan 8.310 nan 0.000 0.581 260 D N 1.303 121.538 120.400 -0.274 0.000 2.133 260 D HA -0.077 4.563 4.640 -0.000 0.000 0.192 260 D C 1.677 177.958 176.300 -0.032 0.000 1.001 260 D CA 2.019 55.930 54.000 -0.147 0.000 0.844 260 D CB -0.878 39.858 40.800 -0.107 0.000 0.944 260 D HN 0.765 nan 8.370 nan 0.000 0.447 261 G N -0.984 107.829 108.800 0.022 0.000 3.088 261 G HA2 0.447 4.407 3.960 -0.000 0.000 0.217 261 G HA3 0.447 4.407 3.960 -0.000 0.000 0.217 261 G C 0.674 175.612 174.900 0.063 0.000 1.159 261 G CA 0.493 45.611 45.100 0.031 0.000 0.760 261 G HN 0.649 nan 8.290 nan 0.000 0.550 262 G N -0.520 108.349 108.800 0.115 0.000 2.315 262 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.296 262 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.296 262 G C -0.564 174.437 174.900 0.168 0.000 1.289 262 G CA -1.014 44.161 45.100 0.124 0.000 0.996 262 G HN 0.378 nan 8.290 nan 0.000 0.487 263 L N 0.880 122.192 121.223 0.149 0.000 2.559 263 L HA 0.201 4.541 4.340 -0.000 0.000 0.282 263 L C 1.187 178.143 176.870 0.144 0.000 1.232 263 L CA -0.076 54.842 54.840 0.129 0.000 0.885 263 L CB 0.019 42.137 42.059 0.099 0.000 1.131 263 L HN 0.420 nan 8.230 nan 0.000 0.498 264 L N 5.081 126.373 121.223 0.114 0.000 2.475 264 L HA 0.144 4.484 4.340 -0.000 0.000 0.253 264 L C -1.064 175.839 176.870 0.055 0.000 1.198 264 L CA -1.446 53.444 54.840 0.083 0.000 0.814 264 L CB 0.072 42.190 42.059 0.099 0.000 1.134 264 L HN 0.485 nan 8.230 nan 0.000 0.478 265 P HA -0.128 nan 4.420 nan 0.000 0.218 265 P C -0.272 177.041 177.300 0.022 0.000 1.149 265 P CA 1.351 64.462 63.100 0.018 0.000 0.817 265 P CB 0.143 31.841 31.700 -0.003 0.000 0.785 266 E N -2.058 118.159 120.200 0.028 0.000 2.437 266 E HA 0.489 4.839 4.350 -0.000 0.000 0.280 266 E C -3.297 173.328 176.600 0.042 0.000 1.044 266 E CA -2.685 53.731 56.400 0.026 0.000 0.826 266 E CB 0.720 30.432 29.700 0.020 0.000 1.358 266 E HN -0.248 nan 8.360 nan 0.000 0.459 267 P HA 0.111 nan 4.420 nan 0.000 0.271 267 P C -0.807 176.537 177.300 0.074 0.000 1.218 267 P CA -0.362 62.781 63.100 0.070 0.000 0.780 267 P CB 0.672 32.424 31.700 0.086 0.000 0.901 268 V N 3.621 123.576 119.914 0.068 0.000 2.334 268 V HA 0.267 4.387 4.120 -0.000 0.000 0.281 268 V C 0.400 176.464 176.094 -0.050 0.000 1.016 268 V CA -0.596 61.721 62.300 0.028 0.000 0.832 268 V CB 0.987 32.849 31.823 0.065 0.000 0.999 268 V HN 0.430 nan 8.190 nan 0.000 0.439 269 K N 4.522 124.866 120.400 -0.094 0.000 2.276 269 K HA 0.637 4.957 4.320 -0.000 0.000 0.285 269 K C -0.583 175.878 176.600 -0.232 0.000 1.062 269 K CA -0.314 55.815 56.287 -0.264 0.000 0.918 269 K CB 1.250 33.577 32.500 -0.288 0.000 1.055 269 K HN 0.666 nan 8.250 nan 0.000 0.477 270 V N 0.143 119.893 119.914 -0.273 0.000 3.040 270 V HA 0.405 4.525 4.120 -0.000 0.000 0.312 270 V C 0.197 176.178 176.094 -0.188 0.000 1.115 270 V CA -0.680 61.488 62.300 -0.221 0.000 0.998 270 V CB 1.921 33.575 31.823 -0.282 0.000 1.042 270 V HN 0.711 nan 8.190 nan 0.000 0.433 271 S N 1.015 116.632 115.700 -0.137 0.000 2.470 271 S HA 0.213 4.682 4.470 -0.000 0.000 0.222 271 S C 0.351 174.906 174.600 -0.075 0.000 1.024 271 S CA 0.789 58.929 58.200 -0.099 0.000 0.931 271 S CB -0.246 62.909 63.200 -0.075 0.000 0.791 271 S HN 0.980 nan 8.310 nan 0.000 0.513 272 E N 0.022 120.167 120.200 -0.091 0.000 2.413 272 E HA 0.583 4.933 4.350 -0.000 0.000 0.277 272 E C -1.638 174.891 176.600 -0.119 0.000 0.958 272 E CA -0.957 55.402 56.400 -0.068 0.000 0.779 272 E CB 1.383 31.054 29.700 -0.049 0.000 1.278 272 E HN 0.013 nan 8.360 nan 0.000 0.456 273 L N 1.833 123.011 121.223 -0.074 0.000 2.492 273 L HA 0.458 4.798 4.340 -0.000 0.000 0.258 273 L C -2.908 173.939 176.870 -0.038 0.000 1.028 273 L CA -1.796 52.964 54.840 -0.134 0.000 0.900 273 L CB 1.454 43.429 42.059 -0.140 0.000 1.191 273 L HN 0.372 nan 8.230 nan 0.000 0.459 274 P HA 0.200 nan 4.420 nan 0.000 0.267 274 P C -1.171 176.182 177.300 0.089 0.000 1.205 274 P CA 0.113 63.209 63.100 -0.007 0.000 0.765 274 P CB 0.942 32.655 31.700 0.021 0.000 0.828 275 V N 5.015 124.989 119.914 0.099 0.000 2.524 275 V HA 0.280 4.400 4.120 -0.000 0.000 0.297 275 V C 0.277 176.449 176.094 0.130 0.000 1.035 275 V CA -0.581 61.873 62.300 0.257 0.000 0.867 275 V CB 1.444 33.514 31.823 0.413 0.000 1.004 275 V HN 0.385 nan 8.190 nan 0.000 0.426 276 L N 3.465 124.784 121.223 0.159 0.000 2.468 276 L HA 0.516 4.856 4.340 -0.000 0.000 0.254 276 L C 0.228 177.133 176.870 0.058 0.000 1.171 276 L CA -0.826 54.073 54.840 0.098 0.000 0.809 276 L CB 0.682 42.825 42.059 0.141 0.000 1.155 276 L HN 0.490 nan 8.230 nan 0.000 0.473 277 M N 1.323 120.964 119.600 0.067 0.000 2.303 277 M HA 0.184 4.664 4.480 -0.000 0.000 0.350 277 M C 0.936 177.226 176.300 -0.017 0.000 1.518 277 M CA 1.101 56.443 55.300 0.071 0.000 1.070 277 M CB -0.068 32.647 32.600 0.191 0.000 1.910 277 M HN 0.807 nan 8.290 nan 0.000 0.458 278 G N 1.465 110.152 108.800 -0.188 0.000 2.217 278 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.246 278 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.246 278 G C 0.099 174.783 174.900 -0.359 0.000 0.990 278 G CA -0.211 44.662 45.100 -0.379 0.000 0.627 278 G HN 0.625 nan 8.290 nan 0.000 0.522 279 E N 0.398 120.476 120.200 -0.203 0.000 2.383 279 E HA 0.534 4.884 4.350 -0.000 0.000 0.264 279 E C 0.263 176.702 176.600 -0.268 0.000 1.050 279 E CA 0.010 56.301 56.400 -0.182 0.000 0.896 279 E CB 0.468 30.142 29.700 -0.044 0.000 0.982 279 E HN 0.278 nan 8.360 nan 0.000 0.424 280 R N 1.440 121.733 120.500 -0.345 0.000 2.599 280 R HA 0.472 4.812 4.340 -0.000 0.000 0.295 280 R C -1.298 174.721 176.300 -0.467 0.000 0.963 280 R CA -0.402 55.526 56.100 -0.287 0.000 0.883 280 R CB 0.941 31.117 30.300 -0.206 0.000 1.171 280 R HN 0.325 nan 8.270 nan 0.000 0.450 281 F N 0.375 120.327 119.950 0.003 0.000 2.551 281 F HA 0.413 4.939 4.527 -0.001 0.000 0.316 281 F C 0.116 175.911 175.800 -0.008 0.000 1.089 281 F CA -0.758 57.260 58.000 0.031 0.000 0.915 281 F CB 2.264 41.305 39.000 0.068 0.000 1.186 281 F HN 0.291 nan 8.300 nan 0.000 0.456 282 E N 2.590 122.914 120.200 0.207 0.000 2.134 282 E HA 0.562 4.912 4.350 -0.000 0.000 0.278 282 E C -1.077 175.597 176.600 0.124 0.000 0.959 282 E CA -0.824 55.647 56.400 0.118 0.000 0.783 282 E CB 2.240 31.994 29.700 0.091 0.000 1.095 282 E HN 0.434 nan 8.360 nan 0.000 0.399 283 V N 0.652 120.615 119.914 0.082 0.000 2.864 283 V HA 0.573 4.693 4.120 -0.000 0.000 0.314 283 V C -0.803 175.360 176.094 0.115 0.000 1.073 283 V CA -1.135 61.223 62.300 0.096 0.000 0.956 283 V CB 1.468 33.332 31.823 0.068 0.000 1.023 283 V HN 0.403 nan 8.190 nan 0.000 0.435 284 L N 3.399 124.725 121.223 0.171 0.000 2.309 284 L HA 0.774 5.113 4.340 -0.000 0.000 0.282 284 L C -0.180 176.954 176.870 0.439 0.000 1.036 284 L CA -0.040 54.943 54.840 0.239 0.000 0.806 284 L CB 1.854 43.928 42.059 0.025 0.000 1.220 284 L HN 0.700 nan 8.230 nan 0.000 0.429 285 V N 1.997 122.176 119.914 0.440 0.000 2.656 285 V HA 0.397 4.517 4.120 -0.000 0.000 0.307 285 V C -0.236 176.023 176.094 0.275 0.000 1.051 285 V CA -0.971 61.562 62.300 0.388 0.000 0.893 285 V CB 1.809 33.809 31.823 0.295 0.000 0.999 285 V HN 0.673 nan 8.190 nan 0.000 0.426 286 E N 2.281 122.500 120.200 0.031 0.000 2.223 286 E HA 0.387 4.737 4.350 -0.000 0.000 0.282 286 E C -1.032 175.420 176.600 -0.247 0.000 1.046 286 E CA -0.321 55.797 56.400 -0.469 0.000 0.857 286 E CB 1.395 30.743 29.700 -0.587 0.000 1.055 286 E HN 0.544 nan 8.360 nan 0.000 0.409 287 V N 7.009 126.784 119.914 -0.232 0.000 2.247 287 V HA 0.090 4.210 4.120 -0.000 0.000 0.262 287 V C 0.767 176.773 176.094 -0.148 0.000 1.096 287 V CA -0.295 61.960 62.300 -0.074 0.000 0.895 287 V CB 0.039 31.879 31.823 0.028 0.000 1.141 287 V HN 0.733 nan 8.190 nan 0.000 0.478 288 N N 1.824 120.431 118.700 -0.155 0.000 2.250 288 N HA 0.072 4.812 4.740 -0.000 0.000 0.190 288 N C -0.110 175.344 175.510 -0.093 0.000 1.116 288 N CA -0.160 52.794 53.050 -0.160 0.000 0.881 288 N CB 1.101 39.472 38.487 -0.193 0.000 1.006 288 N HN 0.657 nan 8.380 nan 0.000 0.491 289 D N -0.199 120.166 120.400 -0.058 0.000 2.636 289 D HA 0.179 4.819 4.640 -0.000 0.000 0.275 289 D C -0.223 176.079 176.300 0.003 0.000 1.130 289 D CA -0.662 53.320 54.000 -0.030 0.000 1.031 289 D CB 0.250 41.032 40.800 -0.030 0.000 1.451 289 D HN -0.307 nan 8.370 nan 0.000 0.505 290 N N -1.309 117.395 118.700 0.006 0.000 2.398 290 N HA 0.101 4.841 4.740 -0.000 0.000 0.188 290 N C -0.012 175.520 175.510 0.037 0.000 1.122 290 N CA 0.278 53.338 53.050 0.017 0.000 0.866 290 N CB -0.211 38.277 38.487 0.002 0.000 0.970 290 N HN 0.607 nan 8.380 nan 0.000 0.462 291 K N 2.084 122.516 120.400 0.053 0.000 2.349 291 K HA 0.280 4.600 4.320 -0.000 0.000 0.288 291 K C -2.523 174.175 176.600 0.162 0.000 1.058 291 K CA -1.491 54.842 56.287 0.078 0.000 0.953 291 K CB -0.617 31.919 32.500 0.059 0.000 0.997 291 K HN 0.028 nan 8.250 nan 0.000 0.477 292 P HA 0.481 nan 4.420 nan 0.000 0.271 292 P C -0.676 176.754 177.300 0.217 0.000 1.218 292 P CA -0.234 62.930 63.100 0.108 0.000 0.780 292 P CB 0.180 31.888 31.700 0.014 0.000 0.901 293 F N -1.044 118.924 119.950 0.030 0.000 2.715 293 F HA 0.674 5.201 4.527 -0.001 0.000 0.318 293 F C -1.238 174.604 175.800 0.070 0.000 1.141 293 F CA -1.290 56.735 58.000 0.042 0.000 0.950 293 F CB 0.778 39.795 39.000 0.029 0.000 1.374 293 F HN -0.010 nan 8.300 nan 0.000 0.477 294 D N 1.647 122.149 120.400 0.169 0.000 2.185 294 D HA 0.394 5.034 4.640 -0.000 0.000 0.247 294 D C -1.004 175.410 176.300 0.190 0.000 1.027 294 D CA -0.248 53.803 54.000 0.085 0.000 0.861 294 D CB 2.366 43.229 40.800 0.105 0.000 1.202 294 D HN 0.699 nan 8.370 nan 0.000 0.453 295 L N 3.091 124.375 121.223 0.102 0.000 2.360 295 L HA 0.332 4.672 4.340 -0.000 0.000 0.276 295 L C -0.464 176.498 176.870 0.153 0.000 1.121 295 L CA -0.060 54.877 54.840 0.161 0.000 0.845 295 L CB 0.628 42.747 42.059 0.101 0.000 1.143 295 L HN 0.237 nan 8.230 nan 0.000 0.452 296 V N 1.654 121.676 119.914 0.181 0.000 3.126 296 V HA 0.762 4.882 4.120 -0.000 0.000 0.314 296 V C -0.348 175.844 176.094 0.163 0.000 1.138 296 V CA -0.440 61.940 62.300 0.132 0.000 1.034 296 V CB 1.791 33.654 31.823 0.066 0.000 1.075 296 V HN 0.845 nan 8.190 nan 0.000 0.442 297 T N 2.358 116.959 114.554 0.079 0.000 2.807 297 T HA 0.666 5.016 4.350 -0.000 0.000 0.279 297 T C -0.650 174.036 174.700 -0.023 0.000 0.993 297 T CA -0.506 61.557 62.100 -0.062 0.000 0.970 297 T CB 0.656 69.411 68.868 -0.189 0.000 0.950 297 T HN 0.734 nan 8.240 nan 0.000 0.441 298 L N 5.930 127.113 121.223 -0.066 0.000 2.357 298 L HA 0.459 4.799 4.340 -0.000 0.000 0.273 298 L C -1.988 174.855 176.870 -0.044 0.000 1.080 298 L CA -2.456 52.360 54.840 -0.039 0.000 0.803 298 L CB 0.968 43.000 42.059 -0.044 0.000 1.174 298 L HN 0.483 nan 8.230 nan 0.000 0.443 299 P HA 0.007 nan 4.420 nan 0.000 0.264 299 P C -0.710 176.554 177.300 -0.059 0.000 1.193 299 P CA -0.077 63.008 63.100 -0.025 0.000 0.763 299 P CB 0.600 32.288 31.700 -0.019 0.000 0.810 300 V N 0.391 120.254 119.914 -0.085 0.000 2.881 300 V HA 0.697 4.817 4.120 -0.000 0.000 0.316 300 V C -0.002 176.032 176.094 -0.101 0.000 1.070 300 V CA -0.939 61.302 62.300 -0.099 0.000 0.976 300 V CB 1.951 33.697 31.823 -0.127 0.000 1.038 300 V HN 0.516 nan 8.190 nan 0.000 0.446 301 S N 2.758 118.407 115.700 -0.086 0.000 2.464 301 S HA 0.612 5.082 4.470 -0.000 0.000 0.313 301 S C -0.412 174.129 174.600 -0.098 0.000 1.078 301 S CA -0.432 57.718 58.200 -0.083 0.000 1.096 301 S CB 0.058 63.224 63.200 -0.057 0.000 1.032 301 S HN 1.095 nan 8.310 nan 0.000 0.498 302 Q N 3.312 123.030 119.800 -0.135 0.000 2.352 302 Q HA 0.253 4.593 4.340 -0.000 0.000 0.270 302 Q C -1.036 174.841 176.000 -0.205 0.000 1.006 302 Q CA -0.751 54.958 55.803 -0.156 0.000 0.880 302 Q CB 1.454 30.085 28.738 -0.178 0.000 1.392 302 Q HN 0.681 nan 8.270 nan 0.000 0.401 303 M N 2.244 121.741 119.600 -0.171 0.000 2.323 303 M HA -0.067 4.413 4.480 -0.000 0.000 0.386 303 M C 1.196 177.284 176.300 -0.353 0.000 1.525 303 M CA 2.443 57.633 55.300 -0.184 0.000 0.914 303 M CB -0.721 31.820 32.600 -0.099 0.000 2.042 303 M HN 1.086 nan 8.290 nan 0.000 0.483 304 G N 3.574 112.118 108.800 -0.426 0.000 2.253 304 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.251 304 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.251 304 G C 0.662 174.936 174.900 -1.043 0.000 0.998 304 G CA 0.252 44.860 45.100 -0.820 0.000 0.621 304 G HN 0.566 nan 8.290 nan 0.000 0.524 305 M N 0.436 119.615 119.600 -0.702 0.000 2.509 305 M HA 0.484 4.964 4.480 -0.000 0.000 0.250 305 M C 2.339 178.437 176.300 -0.337 0.000 1.132 305 M CA 1.053 55.991 55.300 -0.604 0.000 1.080 305 M CB -0.332 31.983 32.600 -0.475 0.000 1.408 305 M HN 0.717 nan 8.290 nan 0.000 0.484 306 A N 0.202 122.873 122.820 -0.249 0.000 2.345 306 A HA 0.337 4.657 4.320 -0.000 0.000 0.225 306 A C 0.889 178.428 177.584 -0.075 0.000 1.243 306 A CA -0.337 51.632 52.037 -0.113 0.000 0.875 306 A CB -0.338 18.602 19.000 -0.100 0.000 0.929 306 A HN 0.327 nan 8.150 nan 0.000 0.502 307 I N 1.301 121.791 120.570 -0.134 0.000 2.692 307 I HA 0.202 4.372 4.170 -0.000 0.000 0.284 307 I C 1.174 177.319 176.117 0.048 0.000 1.159 307 I CA -0.320 60.931 61.300 -0.081 0.000 1.423 307 I CB 1.006 38.868 38.000 -0.230 0.000 1.380 307 I HN 0.304 nan 8.210 nan 0.000 0.580 308 A N 8.784 131.633 122.820 0.048 0.000 2.561 308 A HA 0.130 4.450 4.320 -0.000 0.000 0.234 308 A C -1.439 176.195 177.584 0.084 0.000 1.055 308 A CA -0.672 51.392 52.037 0.045 0.000 0.756 308 A CB -0.461 18.558 19.000 0.031 0.000 0.986 308 A HN 0.671 nan 8.150 nan 0.000 0.505 309 P HA 0.121 nan 4.420 nan 0.000 0.255 309 P C 0.022 177.164 177.300 -0.263 0.000 1.301 309 P CA 0.541 63.545 63.100 -0.161 0.000 0.817 309 P CB -0.080 31.494 31.700 -0.210 0.000 1.259 310 F N 1.051 121.004 119.950 0.004 0.000 2.693 310 F HA 0.043 4.570 4.527 -0.000 0.000 0.303 310 F C 1.869 177.629 175.800 -0.067 0.000 1.097 310 F CA 0.037 58.010 58.000 -0.045 0.000 1.330 310 F CB -0.274 38.642 39.000 -0.139 0.000 1.067 310 F HN -0.037 nan 8.300 nan 0.000 0.565 311 D N 0.160 120.592 120.400 0.054 0.000 2.310 311 D HA -0.099 4.541 4.640 -0.000 0.000 0.212 311 D C 0.356 176.652 176.300 -0.007 0.000 0.965 311 D CA 0.779 54.784 54.000 0.008 0.000 0.879 311 D CB 0.117 40.913 40.800 -0.005 0.000 0.921 311 D HN 0.244 nan 8.370 nan 0.000 0.510 312 K N 0.026 120.416 120.400 -0.017 0.000 2.400 312 K HA 0.484 4.804 4.320 -0.000 0.000 0.246 312 K C -2.799 173.787 176.600 -0.023 0.000 0.995 312 K CA -2.353 53.916 56.287 -0.030 0.000 0.840 312 K CB 1.951 34.419 32.500 -0.053 0.000 1.293 312 K HN -0.234 nan 8.250 nan 0.000 0.445 313 P HA -0.086 nan 4.420 nan 0.000 0.262 313 P C -1.304 175.972 177.300 -0.040 0.000 1.182 313 P CA 0.506 63.596 63.100 -0.016 0.000 0.761 313 P CB 0.181 31.866 31.700 -0.024 0.000 0.795 314 H N 4.395 123.395 119.070 -0.116 0.000 2.505 314 H HA 0.387 4.943 4.556 -0.000 0.000 0.338 314 H C -2.293 172.931 175.328 -0.173 0.000 1.057 314 H CA -2.483 53.448 56.048 -0.196 0.000 1.202 314 H CB 1.243 30.846 29.762 -0.265 0.000 1.466 314 H HN 0.272 nan 8.280 nan 0.000 0.499 315 P HA -0.072 nan 4.420 nan 0.000 0.268 315 P C 0.023 177.244 177.300 -0.131 0.000 1.205 315 P CA 0.057 62.953 63.100 -0.340 0.000 0.771 315 P CB 2.053 33.184 31.700 -0.948 0.000 0.858 316 V N 2.922 122.833 119.914 -0.004 0.000 2.627 316 V HA 0.156 4.276 4.120 -0.000 0.000 0.239 316 V C 1.077 177.256 176.094 0.142 0.000 1.077 316 V CA 1.409 63.782 62.300 0.122 0.000 1.103 316 V CB -0.406 31.549 31.823 0.219 0.000 0.802 316 V HN 0.631 nan 8.190 nan 0.000 0.482 317 M N -0.538 119.151 119.600 0.148 0.000 2.520 317 M HA 0.688 5.168 4.480 -0.000 0.000 0.280 317 M C -0.968 175.451 176.300 0.198 0.000 1.232 317 M CA -0.873 54.564 55.300 0.229 0.000 0.892 317 M CB 2.340 35.011 32.600 0.118 0.000 1.728 317 M HN -0.008 nan 8.290 nan 0.000 0.475 318 R N 1.952 122.581 120.500 0.216 0.000 2.308 318 R HA 0.709 5.049 4.340 -0.000 0.000 0.305 318 R C -1.886 174.342 176.300 -0.119 0.000 1.053 318 R CA -0.025 56.099 56.100 0.041 0.000 0.957 318 R CB 0.337 30.619 30.300 -0.030 0.000 1.022 318 R HN 0.845 nan 8.270 nan 0.000 0.461 319 I N 3.935 124.299 120.570 -0.342 0.000 2.339 319 I HA 0.231 4.401 4.170 -0.000 0.000 0.290 319 I C -0.358 175.565 176.117 -0.323 0.000 0.994 319 I CA -0.738 60.316 61.300 -0.410 0.000 1.191 319 I CB 1.729 39.257 38.000 -0.786 0.000 1.343 319 I HN 0.516 nan 8.210 nan 0.000 0.458 320 Q N 9.525 129.219 119.800 -0.178 0.000 2.400 320 Q HA 0.462 4.802 4.340 -0.000 0.000 0.255 320 Q C -2.607 173.347 176.000 -0.077 0.000 1.008 320 Q CA -2.184 53.551 55.803 -0.113 0.000 0.841 320 Q CB 1.404 30.076 28.738 -0.111 0.000 1.220 320 Q HN 0.201 nan 8.270 nan 0.000 0.474 321 P HA 0.161 nan 4.420 nan 0.000 0.268 321 P C -0.720 176.564 177.300 -0.026 0.000 1.205 321 P CA 0.124 63.224 63.100 0.002 0.000 0.771 321 P CB 0.441 32.165 31.700 0.040 0.000 0.858 322 I N -1.874 118.678 120.570 -0.030 0.000 3.074 322 I HA 0.826 4.995 4.170 -0.000 0.000 0.310 322 I C -0.762 175.342 176.117 -0.022 0.000 1.153 322 I CA -1.642 59.637 61.300 -0.035 0.000 0.993 322 I CB 2.565 40.532 38.000 -0.056 0.000 1.237 322 I HN 0.168 nan 8.210 nan 0.000 0.443 323 A N 4.974 127.783 122.820 -0.019 0.000 3.232 323 A HA 0.695 5.015 4.320 -0.000 0.000 0.312 323 A C -0.107 177.472 177.584 -0.009 0.000 1.185 323 A CA -0.481 51.549 52.037 -0.012 0.000 1.011 323 A CB -0.737 18.256 19.000 -0.012 0.000 1.096 323 A HN 0.686 nan 8.150 nan 0.000 0.543 324 I N -2.196 118.370 120.570 -0.006 0.000 3.023 324 I HA 0.731 4.901 4.170 -0.000 0.000 0.312 324 I C 0.294 176.417 176.117 0.010 0.000 1.056 324 I CA -0.937 60.363 61.300 0.000 0.000 1.033 324 I CB 2.044 40.042 38.000 -0.002 0.000 1.233 324 I HN 0.173 nan 8.210 nan 0.000 0.462 325 S N 2.081 117.791 115.700 0.016 0.000 2.531 325 S HA 0.749 5.218 4.470 -0.000 0.000 0.279 325 S C -0.159 174.462 174.600 0.034 0.000 1.305 325 S CA -0.345 57.869 58.200 0.023 0.000 1.058 325 S CB 0.836 64.050 63.200 0.023 0.000 0.899 325 S HN 1.131 nan 8.310 nan 0.000 0.493 326 A N 2.077 124.921 122.820 0.041 0.000 2.520 326 A HA 0.737 5.057 4.320 -0.000 0.000 0.298 326 A C 0.282 177.905 177.584 0.066 0.000 1.051 326 A CA -0.377 51.696 52.037 0.059 0.000 0.690 326 A CB 1.320 20.361 19.000 0.069 0.000 1.281 326 A HN 1.490 nan 8.150 nan 0.000 0.402 327 S N 0.847 116.592 115.700 0.074 0.000 2.819 327 S HA 0.419 4.889 4.470 -0.000 0.000 0.249 327 S C 0.830 175.485 174.600 0.091 0.000 1.030 327 S CA 0.371 58.616 58.200 0.076 0.000 1.052 327 S CB -0.164 63.069 63.200 0.055 0.000 1.017 327 S HN 1.697 nan 8.310 nan 0.000 0.576 328 G N 1.020 109.887 108.800 0.110 0.000 2.554 328 G HA2 0.574 4.534 3.960 -0.000 0.000 0.238 328 G HA3 0.574 4.534 3.960 -0.000 0.000 0.238 328 G C -0.129 174.849 174.900 0.130 0.000 1.259 328 G CA 0.102 45.262 45.100 0.100 0.000 0.843 328 G HN 0.924 nan 8.290 nan 0.000 0.582 329 A N 0.438 123.235 122.820 -0.038 0.000 2.569 329 A HA 0.664 4.984 4.320 -0.000 0.000 0.290 329 A C -1.265 175.974 177.584 -0.575 0.000 1.136 329 A CA -0.706 51.196 52.037 -0.226 0.000 0.710 329 A CB 1.822 20.776 19.000 -0.076 0.000 1.303 329 A HN 1.294 nan 8.150 nan 0.000 0.413 330 L N 1.988 122.662 121.223 -0.915 0.000 2.272 330 L HA 0.611 4.951 4.340 -0.000 0.000 0.284 330 L C -2.310 174.308 176.870 -0.418 0.000 1.045 330 L CA -1.539 52.781 54.840 -0.865 0.000 0.842 330 L CB 0.345 41.508 42.059 -1.493 0.000 1.224 330 L HN 0.460 nan 8.230 nan 0.000 0.430 331 P HA 0.251 nan 4.420 nan 0.000 0.272 331 P C -0.140 177.095 177.300 -0.108 0.000 1.240 331 P CA -0.311 62.705 63.100 -0.141 0.000 0.791 331 P CB 0.745 32.388 31.700 -0.096 0.000 0.978 332 D N -0.959 119.405 120.400 -0.060 0.000 2.149 332 D HA -0.028 4.612 4.640 -0.000 0.000 0.201 332 D C 0.139 176.427 176.300 -0.019 0.000 0.972 332 D CA 1.526 55.508 54.000 -0.030 0.000 0.835 332 D CB -0.090 40.702 40.800 -0.013 0.000 0.966 332 D HN 0.334 nan 8.370 nan 0.000 0.476 333 T N -0.045 114.497 114.554 -0.020 0.000 2.921 333 T HA 0.444 4.794 4.350 -0.000 0.000 0.297 333 T C 1.046 175.742 174.700 -0.007 0.000 1.013 333 T CA -0.551 61.545 62.100 -0.007 0.000 0.990 333 T CB 2.320 71.188 68.868 -0.001 0.000 1.023 333 T HN -0.184 nan 8.240 nan 0.000 0.447 334 L N 1.041 122.266 121.223 0.005 0.000 2.445 334 L HA 0.471 4.811 4.340 -0.000 0.000 0.207 334 L C 1.010 177.895 176.870 0.026 0.000 1.053 334 L CA 0.140 54.986 54.840 0.011 0.000 0.841 334 L CB 0.412 42.483 42.059 0.021 0.000 1.074 334 L HN 0.576 nan 8.230 nan 0.000 0.479 335 S N -1.336 114.384 115.700 0.033 0.000 2.587 335 S HA 0.488 4.958 4.470 -0.000 0.000 0.269 335 S C -1.337 173.289 174.600 0.042 0.000 1.154 335 S CA -0.618 57.611 58.200 0.049 0.000 0.824 335 S CB 1.727 64.974 63.200 0.078 0.000 1.118 335 S HN 0.134 nan 8.310 nan 0.000 0.462 336 S N 2.076 117.807 115.700 0.051 0.000 2.478 336 S HA 0.814 5.284 4.470 -0.000 0.000 0.312 336 S C -1.111 173.527 174.600 0.063 0.000 1.094 336 S CA -0.664 57.560 58.200 0.040 0.000 1.081 336 S CB 0.939 64.159 63.200 0.033 0.000 1.007 336 S HN 0.428 nan 8.310 nan 0.000 0.475 337 L N 3.236 124.474 121.223 0.025 0.000 2.352 337 L HA 0.655 4.995 4.340 -0.000 0.000 0.269 337 L C -1.786 175.085 176.870 0.002 0.000 1.034 337 L CA -1.724 53.123 54.840 0.012 0.000 0.806 337 L CB -0.010 41.945 42.059 -0.172 0.000 1.244 337 L HN 0.586 nan 8.230 nan 0.000 0.447 338 P HA 0.272 nan 4.420 nan 0.000 0.272 338 P C -0.927 176.339 177.300 -0.058 0.000 1.230 338 P CA -0.554 62.567 63.100 0.036 0.000 0.788 338 P CB 0.509 32.294 31.700 0.143 0.000 0.949 339 A N 2.018 124.811 122.820 -0.046 0.000 2.346 339 A HA 0.290 4.609 4.320 -0.000 0.000 0.252 339 A C 0.488 177.992 177.584 -0.133 0.000 1.089 339 A CA -0.561 51.426 52.037 -0.083 0.000 0.797 339 A CB -0.291 18.674 19.000 -0.058 0.000 1.047 339 A HN 0.580 nan 8.150 nan 0.000 0.494 340 L N 2.054 123.182 121.223 -0.159 0.000 2.456 340 L HA 0.226 4.566 4.340 -0.000 0.000 0.272 340 L C -1.480 175.252 176.870 -0.230 0.000 1.189 340 L CA -1.333 53.374 54.840 -0.221 0.000 0.846 340 L CB 0.202 42.155 42.059 -0.178 0.000 1.111 340 L HN 0.600 nan 8.230 nan 0.000 0.475 341 P HA 0.085 nan 4.420 nan 0.000 0.272 341 P C -0.660 176.538 177.300 -0.170 0.000 1.230 341 P CA -0.475 62.450 63.100 -0.291 0.000 0.788 341 P CB 0.610 32.001 31.700 -0.515 0.000 0.949 342 S N 1.096 116.739 115.700 -0.095 0.000 2.558 342 S HA 0.051 4.521 4.470 -0.000 0.000 0.288 342 S C 1.588 176.156 174.600 -0.053 0.000 1.318 342 S CA -0.433 57.732 58.200 -0.059 0.000 1.056 342 S CB 0.032 63.214 63.200 -0.029 0.000 0.853 342 S HN 0.354 nan 8.310 nan 0.000 0.505 343 L N 0.371 121.570 121.223 -0.041 0.000 2.446 343 L HA 0.129 4.469 4.340 -0.000 0.000 0.219 343 L C 0.367 177.232 176.870 -0.008 0.000 1.116 343 L CA 0.394 55.217 54.840 -0.028 0.000 0.844 343 L CB -0.348 41.694 42.059 -0.029 0.000 0.970 343 L HN 0.499 nan 8.230 nan 0.000 0.457 344 E N 0.932 121.127 120.200 -0.007 0.000 2.351 344 E HA 0.268 4.618 4.350 -0.000 0.000 0.266 344 E C 1.093 177.699 176.600 0.010 0.000 1.031 344 E CA 0.940 57.340 56.400 0.000 0.000 0.911 344 E CB 0.388 30.087 29.700 -0.001 0.000 0.986 344 E HN 0.292 nan 8.360 nan 0.000 0.446 345 G N 2.697 111.504 108.800 0.012 0.000 2.205 345 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.261 345 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.261 345 G C 0.208 175.125 174.900 0.029 0.000 0.980 345 G CA -0.017 45.094 45.100 0.019 0.000 0.632 345 G HN 0.410 nan 8.290 nan 0.000 0.533 346 L N 1.750 122.994 121.223 0.034 0.000 2.461 346 L HA 0.326 4.666 4.340 -0.000 0.000 0.272 346 L C 1.094 177.991 176.870 0.046 0.000 1.197 346 L CA -0.120 54.754 54.840 0.056 0.000 0.836 346 L CB 0.456 42.555 42.059 0.067 0.000 1.105 346 L HN 0.103 nan 8.230 nan 0.000 0.477 347 T N 2.324 116.913 114.554 0.058 0.000 2.888 347 T HA 0.199 4.549 4.350 -0.000 0.000 0.301 347 T C 0.079 174.793 174.700 0.024 0.000 1.001 347 T CA -0.362 61.755 62.100 0.029 0.000 1.147 347 T CB 0.779 69.666 68.868 0.032 0.000 0.931 347 T HN 0.240 nan 8.240 nan 0.000 0.541 348 V N 5.746 125.642 119.914 -0.029 0.000 2.398 348 V HA 0.455 4.575 4.120 -0.000 0.000 0.286 348 V C 0.315 176.306 176.094 -0.171 0.000 1.026 348 V CA -0.781 61.487 62.300 -0.054 0.000 0.868 348 V CB 1.303 33.099 31.823 -0.045 0.000 0.982 348 V HN 0.736 nan 8.190 nan 0.000 0.443 349 R N 3.081 123.415 120.500 -0.277 0.000 2.480 349 R HA 0.695 5.035 4.340 -0.000 0.000 0.306 349 R C -0.322 175.748 176.300 -0.383 0.000 0.958 349 R CA -0.694 55.095 56.100 -0.518 0.000 0.861 349 R CB 1.633 31.262 30.300 -1.120 0.000 1.171 349 R HN 0.675 nan 8.270 nan 0.000 0.445 350 K N 3.089 123.318 120.400 -0.285 0.000 2.213 350 K HA 0.442 4.761 4.320 -0.000 0.000 0.270 350 K C -0.779 175.710 176.600 -0.185 0.000 1.002 350 K CA -0.569 55.605 56.287 -0.188 0.000 0.868 350 K CB 0.757 33.182 32.500 -0.125 0.000 1.093 350 K HN 0.335 nan 8.250 nan 0.000 0.454 351 L N 2.252 123.371 121.223 -0.174 0.000 2.345 351 L HA 0.355 4.695 4.340 -0.000 0.000 0.274 351 L C -0.144 176.638 176.870 -0.147 0.000 0.999 351 L CA -0.697 54.054 54.840 -0.149 0.000 0.849 351 L CB 1.882 43.823 42.059 -0.197 0.000 1.220 351 L HN 0.799 nan 8.230 nan 0.000 0.422 352 Q N 3.490 123.238 119.800 -0.088 0.000 2.331 352 Q HA 0.545 4.885 4.340 -0.000 0.000 0.257 352 Q C -1.229 174.732 176.000 -0.066 0.000 0.957 352 Q CA -0.031 55.728 55.803 -0.074 0.000 0.923 352 Q CB 0.881 29.593 28.738 -0.042 0.000 1.212 352 Q HN 0.553 nan 8.270 nan 0.000 0.443 353 L N 3.005 124.165 121.223 -0.105 0.000 2.326 353 L HA 0.639 4.979 4.340 -0.000 0.000 0.278 353 L C -0.000 176.816 176.870 -0.090 0.000 1.092 353 L CA -0.597 54.167 54.840 -0.128 0.000 0.810 353 L CB 1.075 42.961 42.059 -0.288 0.000 1.153 353 L HN 0.827 nan 8.230 nan 0.000 0.439 354 S N 2.890 118.558 115.700 -0.054 0.000 2.550 354 S HA 0.731 5.201 4.470 -0.000 0.000 0.270 354 S C -0.981 173.626 174.600 0.012 0.000 1.145 354 S CA -1.041 57.154 58.200 -0.007 0.000 0.852 354 S CB 1.915 65.125 63.200 0.016 0.000 1.119 354 S HN 0.531 nan 8.310 nan 0.000 0.465 355 M N 2.139 121.760 119.600 0.036 0.000 2.508 355 M HA 0.432 4.912 4.480 -0.000 0.000 0.327 355 M C -0.656 175.694 176.300 0.083 0.000 1.160 355 M CA -0.697 54.633 55.300 0.050 0.000 0.980 355 M CB 1.457 34.081 32.600 0.040 0.000 1.693 355 M HN 0.763 nan 8.290 nan 0.000 0.452 356 D N 3.089 123.569 120.400 0.133 0.000 2.450 356 D HA 0.069 4.708 4.640 -0.000 0.000 0.247 356 D C -1.765 174.604 176.300 0.115 0.000 1.162 356 D CA -1.199 52.902 54.000 0.168 0.000 0.879 356 D CB 1.344 42.345 40.800 0.335 0.000 1.163 356 D HN 0.255 nan 8.370 nan 0.000 0.472 357 P HA -0.198 nan 4.420 nan 0.000 0.217 357 P C 1.539 178.810 177.300 -0.048 0.000 1.151 357 P CA 1.228 64.334 63.100 0.010 0.000 0.849 357 P CB 0.080 31.779 31.700 -0.002 0.000 0.787 358 M N -1.348 118.168 119.600 -0.140 0.000 2.117 358 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 358 M C 1.855 177.967 176.300 -0.314 0.000 1.065 358 M CA 1.606 56.665 55.300 -0.402 0.000 1.114 358 M CB -0.959 31.062 32.600 -0.964 0.000 1.361 358 M HN -0.148 nan 8.290 nan 0.000 0.408 359 L N 0.171 121.392 121.223 -0.004 0.000 2.017 359 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 359 L C 1.882 178.808 176.870 0.094 0.000 1.073 359 L CA 2.438 57.422 54.840 0.240 0.000 0.745 359 L CB -1.143 41.137 42.059 0.369 0.000 0.894 359 L HN 0.423 nan 8.230 nan 0.000 0.432 360 D N -0.739 119.699 120.400 0.063 0.000 2.103 360 D HA -0.295 4.345 4.640 -0.000 0.000 0.190 360 D C 2.264 178.578 176.300 0.022 0.000 0.997 360 D CA 3.083 57.111 54.000 0.047 0.000 0.833 360 D CB -0.022 40.802 40.800 0.040 0.000 0.961 360 D HN 0.349 nan 8.370 nan 0.000 0.447 361 M N -0.099 119.495 119.600 -0.010 0.000 2.123 361 M HA 0.109 4.589 4.480 -0.000 0.000 0.263 361 M C 2.559 178.846 176.300 -0.021 0.000 1.069 361 M CA 1.971 57.259 55.300 -0.020 0.000 1.133 361 M CB -1.376 31.199 32.600 -0.042 0.000 1.356 361 M HN 0.281 nan 8.290 nan 0.000 0.415 362 M N 0.562 120.136 119.600 -0.044 0.000 2.108 362 M HA -0.063 4.417 4.480 -0.000 0.000 0.261 362 M C 2.333 178.632 176.300 -0.002 0.000 1.066 362 M CA 2.137 57.419 55.300 -0.031 0.000 1.107 362 M CB -0.539 32.032 32.600 -0.049 0.000 1.356 362 M HN 0.552 nan 8.290 nan 0.000 0.406 363 G N -0.200 108.610 108.800 0.016 0.000 2.408 363 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 363 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 363 G C 1.334 176.256 174.900 0.036 0.000 1.150 363 G CA 0.841 45.954 45.100 0.022 0.000 0.776 363 G HN 0.410 nan 8.290 nan 0.000 0.542 364 M N 0.655 120.275 119.600 0.034 0.000 2.175 364 M HA 0.053 4.533 4.480 -0.000 0.000 0.264 364 M C 3.038 179.358 176.300 0.034 0.000 1.063 364 M CA 2.135 57.458 55.300 0.037 0.000 1.119 364 M CB -0.477 32.139 32.600 0.026 0.000 1.377 364 M HN 0.372 nan 8.290 nan 0.000 0.415 365 Q N -0.332 119.479 119.800 0.019 0.000 2.020 365 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 365 Q C 2.002 178.013 176.000 0.019 0.000 0.982 365 Q CA 2.417 58.228 55.803 0.014 0.000 0.838 365 Q CB -1.219 27.519 28.738 0.000 0.000 0.899 365 Q HN 0.708 nan 8.270 nan 0.000 0.423 366 M N -0.558 119.051 119.600 0.014 0.000 2.202 366 M HA -0.074 4.405 4.480 -0.000 0.000 0.262 366 M C 2.382 178.709 176.300 0.045 0.000 1.063 366 M CA 1.491 56.796 55.300 0.009 0.000 1.097 366 M CB -0.125 32.468 32.600 -0.012 0.000 1.382 366 M HN 0.473 nan 8.290 nan 0.000 0.413 367 L N 0.524 121.803 121.223 0.093 0.000 2.056 367 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 367 L C 2.896 179.881 176.870 0.192 0.000 1.078 367 L CA 2.187 57.144 54.840 0.195 0.000 0.749 367 L CB -0.632 41.529 42.059 0.170 0.000 0.901 367 L HN 0.320 nan 8.230 nan 0.000 0.433 368 M N -1.805 117.858 119.600 0.105 0.000 2.132 368 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 368 M C 2.176 178.509 176.300 0.056 0.000 1.065 368 M CA 2.309 57.658 55.300 0.081 0.000 1.122 368 M CB -1.448 31.180 32.600 0.047 0.000 1.365 368 M HN 0.358 nan 8.290 nan 0.000 0.411 369 E N 1.215 121.431 120.200 0.027 0.000 2.038 369 E HA -0.069 4.281 4.350 -0.000 0.000 0.195 369 E C 2.461 179.032 176.600 -0.047 0.000 1.000 369 E CA 2.958 59.353 56.400 -0.008 0.000 0.803 369 E CB -0.451 29.237 29.700 -0.019 0.000 0.750 369 E HN 0.765 nan 8.360 nan 0.000 0.448 370 K N -0.536 119.811 120.400 -0.088 0.000 2.148 370 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 370 K C 1.768 178.113 176.600 -0.426 0.000 1.050 370 K CA 1.769 57.878 56.287 -0.298 0.000 0.942 370 K CB -0.529 31.712 32.500 -0.432 0.000 0.724 370 K HN 0.301 nan 8.250 nan 0.000 0.446 371 Y N -1.964 118.348 120.300 0.021 0.000 2.585 371 Y HA 0.360 4.908 4.550 -0.004 0.000 0.272 371 Y C 1.641 177.554 175.900 0.021 0.000 1.119 371 Y CA -0.115 58.003 58.100 0.030 0.000 1.255 371 Y CB 1.142 39.635 38.460 0.055 0.000 1.284 371 Y HN 0.541 nan 8.280 nan 0.000 0.499 372 G N 0.946 109.842 108.800 0.159 0.000 2.499 372 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.232 372 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.232 372 G C 0.649 175.597 174.900 0.080 0.000 1.251 372 G CA 0.430 45.585 45.100 0.091 0.000 0.917 372 G HN 0.318 nan 8.290 nan 0.000 0.580 373 D N -0.986 119.445 120.400 0.053 0.000 2.219 373 D HA 0.294 4.934 4.640 -0.000 0.000 0.205 373 D C 2.815 179.130 176.300 0.024 0.000 0.970 373 D CA 3.279 57.298 54.000 0.032 0.000 0.851 373 D CB -0.847 39.966 40.800 0.022 0.000 0.943 373 D HN 1.624 nan 8.370 nan 0.000 0.488 374 Q N -0.420 119.401 119.800 0.035 0.000 2.226 374 Q HA 0.297 4.636 4.340 -0.000 0.000 0.204 374 Q C 2.695 178.681 176.000 -0.022 0.000 0.975 374 Q CA 1.839 57.649 55.803 0.012 0.000 0.866 374 Q CB -0.941 27.814 28.738 0.030 0.000 0.915 374 Q HN 0.988 nan 8.270 nan 0.000 0.440 375 A N -0.180 122.642 122.820 0.003 0.000 1.986 375 A HA 0.126 4.445 4.320 -0.000 0.000 0.220 375 A C 2.394 179.936 177.584 -0.071 0.000 1.171 375 A CA 3.109 55.121 52.037 -0.041 0.000 0.640 375 A CB -0.470 18.562 19.000 0.055 0.000 0.811 375 A HN 1.356 nan 8.150 nan 0.000 0.451 376 M N -1.341 118.235 119.600 -0.039 0.000 2.404 376 M HA 0.736 5.215 4.480 -0.000 0.000 0.271 376 M C 0.843 177.114 176.300 -0.047 0.000 1.128 376 M CA 0.432 55.706 55.300 -0.044 0.000 0.982 376 M CB -1.762 30.825 32.600 -0.021 0.000 1.445 376 M HN 0.873 nan 8.290 nan 0.000 0.495 377 A N 0.992 123.781 122.820 -0.052 0.000 2.462 377 A HA 0.651 4.971 4.320 -0.000 0.000 0.243 377 A C 1.332 178.881 177.584 -0.059 0.000 1.076 377 A CA 0.596 52.606 52.037 -0.046 0.000 0.773 377 A CB -0.908 18.068 19.000 -0.040 0.000 1.010 377 A HN 2.540 nan 8.150 nan 0.000 0.493 403 D N 5.249 125.411 120.400 -0.395 0.000 2.317 403 D HA 0.217 4.857 4.640 -0.000 0.000 0.234 403 D C 0.931 176.825 176.300 -0.678 0.000 1.112 403 D CA -0.487 53.274 54.000 -0.399 0.000 0.840 403 D CB 0.556 41.283 40.800 -0.122 0.000 1.078 403 D HN 0.377 nan 8.370 nan 0.000 0.486 404 F N 2.589 122.112 119.950 -0.711 0.000 2.502 404 F HA 0.020 4.548 4.527 0.001 0.000 0.298 404 F C 1.190 176.792 175.800 -0.329 0.000 1.111 404 F CA 0.662 58.322 58.000 -0.566 0.000 1.445 404 F CB -0.525 38.279 39.000 -0.327 0.000 1.081 404 F HN 0.375 nan 8.300 nan 0.000 0.558 405 H N -0.976 117.617 119.070 -0.795 0.000 2.545 405 H HA 0.019 4.576 4.556 0.002 0.000 0.282 405 H C 0.305 175.237 175.328 -0.661 0.000 1.020 405 H CA 1.670 57.310 56.048 -0.681 0.000 1.243 405 H CB -0.308 28.993 29.762 -0.768 0.000 1.377 405 H HN 0.529 nan 8.280 nan 0.000 0.581 406 H N -1.981 117.057 119.070 -0.053 0.000 2.665 406 H HA 0.441 4.996 4.556 -0.001 0.000 0.248 406 H C 1.071 176.406 175.328 0.013 0.000 1.175 406 H CA 0.356 56.404 56.048 0.001 0.000 0.952 406 H CB 0.943 30.695 29.762 -0.016 0.000 1.883 406 H HN 0.287 nan 8.280 nan 0.000 0.623 407 A N -0.055 122.810 122.820 0.075 0.000 2.132 407 A HA 0.072 4.392 4.320 -0.000 0.000 0.213 407 A C 0.597 178.255 177.584 0.123 0.000 1.154 407 A CA 0.178 52.287 52.037 0.121 0.000 0.753 407 A CB -0.083 19.012 19.000 0.158 0.000 0.826 407 A HN 0.338 nan 8.150 nan 0.000 0.469 408 N N 0.640 119.399 118.700 0.099 0.000 2.456 408 N HA 0.485 5.225 4.740 -0.000 0.000 0.288 408 N C -0.680 174.893 175.510 0.104 0.000 1.059 408 N CA -0.329 52.763 53.050 0.070 0.000 0.946 408 N CB 0.975 39.489 38.487 0.044 0.000 1.150 408 N HN 0.394 nan 8.380 nan 0.000 0.479 409 K N 0.858 121.309 120.400 0.085 0.000 2.533 409 K HA 0.566 4.886 4.320 -0.000 0.000 0.284 409 K C -1.502 175.152 176.600 0.090 0.000 1.025 409 K CA -0.780 55.571 56.287 0.106 0.000 0.900 409 K CB 1.617 34.176 32.500 0.099 0.000 1.519 409 K HN 0.264 nan 8.250 nan 0.000 0.432 410 I N 1.422 122.058 120.570 0.111 0.000 2.466 410 I HA 0.216 4.386 4.170 -0.000 0.000 0.289 410 I C -0.604 175.555 176.117 0.070 0.000 1.026 410 I CA -0.984 60.372 61.300 0.093 0.000 1.078 410 I CB 1.680 39.776 38.000 0.161 0.000 1.249 410 I HN 0.640 nan 8.210 nan 0.000 0.429 411 N N 4.628 123.348 118.700 0.034 0.000 2.716 411 N HA -0.200 4.540 4.740 -0.000 0.000 0.250 411 N C 0.937 176.467 175.510 0.033 0.000 1.033 411 N CA 1.397 54.462 53.050 0.025 0.000 0.727 411 N CB -0.963 37.543 38.487 0.032 0.000 0.950 411 N HN 1.188 nan 8.380 nan 0.000 0.541 412 G N -0.937 107.885 108.800 0.036 0.000 2.203 412 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.263 412 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.263 412 G C -0.161 174.767 174.900 0.047 0.000 1.012 412 G CA 0.763 45.887 45.100 0.040 0.000 0.749 412 G HN 0.595 nan 8.290 nan 0.000 0.512 413 Q N -0.539 119.298 119.800 0.062 0.000 2.292 413 Q HA 0.661 5.001 4.340 -0.000 0.000 0.270 413 Q C 0.187 176.251 176.000 0.108 0.000 1.024 413 Q CA -0.177 55.666 55.803 0.066 0.000 0.768 413 Q CB 1.959 30.728 28.738 0.051 0.000 1.250 413 Q HN 0.724 nan 8.270 nan 0.000 0.447 414 A N 2.201 125.091 122.820 0.116 0.000 2.425 414 A HA 0.246 4.566 4.320 -0.000 0.000 0.249 414 A C -0.428 177.279 177.584 0.206 0.000 1.084 414 A CA -0.248 51.900 52.037 0.185 0.000 0.781 414 A CB 0.082 19.219 19.000 0.229 0.000 1.019 414 A HN 0.728 nan 8.150 nan 0.000 0.490 415 F N 1.864 121.882 119.950 0.112 0.000 2.580 415 F HA 0.165 4.691 4.527 -0.001 0.000 0.398 415 F C 0.185 176.029 175.800 0.073 0.000 1.023 415 F CA 0.575 58.625 58.000 0.084 0.000 1.188 415 F CB 0.112 39.159 39.000 0.079 0.000 1.005 415 F HN 0.623 nan 8.300 nan 0.000 0.546 416 D N 6.124 126.136 120.400 -0.646 0.000 2.408 416 D HA 0.182 4.822 4.640 -0.000 0.000 0.243 416 D C 0.666 176.364 176.300 -1.003 0.000 1.075 416 D CA -0.510 53.083 54.000 -0.678 0.000 0.832 416 D CB 1.371 41.986 40.800 -0.308 0.000 1.162 416 D HN 0.716 nan 8.370 nan 0.000 0.515 417 M N 2.988 122.025 119.600 -0.937 0.000 2.492 417 M HA 0.074 4.554 4.480 -0.000 0.000 0.262 417 M C 0.329 176.470 176.300 -0.265 0.000 1.090 417 M CA 1.124 56.062 55.300 -0.602 0.000 1.110 417 M CB 0.019 32.467 32.600 -0.254 0.000 1.407 417 M HN 0.426 nan 8.290 nan 0.000 0.470 418 N N -0.507 118.048 118.700 -0.242 0.000 2.336 418 N HA -0.006 4.734 4.740 -0.000 0.000 0.189 418 N C -0.272 175.160 175.510 -0.130 0.000 1.113 418 N CA 0.097 53.055 53.050 -0.153 0.000 0.858 418 N CB 0.447 38.857 38.487 -0.130 0.000 0.970 418 N HN -0.074 nan 8.380 nan 0.000 0.471 419 K N 1.598 121.909 120.400 -0.149 0.000 2.646 419 K HA 0.327 4.647 4.320 -0.000 0.000 0.210 419 K C -2.911 173.640 176.600 -0.083 0.000 1.020 419 K CA -2.280 53.945 56.287 -0.104 0.000 1.040 419 K CB 0.900 33.340 32.500 -0.100 0.000 1.253 419 K HN -0.190 nan 8.250 nan 0.000 0.532 420 P HA 0.095 nan 4.420 nan 0.000 0.271 420 P C 0.584 177.833 177.300 -0.084 0.000 1.220 420 P CA -0.160 62.901 63.100 -0.066 0.000 0.768 420 P CB 0.848 32.507 31.700 -0.069 0.000 0.848 421 M N 3.256 122.756 119.600 -0.166 0.000 2.213 421 M HA -0.021 4.459 4.480 -0.000 0.000 0.263 421 M C -0.227 176.061 176.300 -0.020 0.000 1.062 421 M CA 1.894 57.112 55.300 -0.138 0.000 1.105 421 M CB -0.062 32.423 32.600 -0.191 0.000 1.385 421 M HN 0.434 nan 8.290 nan 0.000 0.417 422 F N -3.285 116.712 119.950 0.077 0.000 2.858 422 F HA 0.661 5.187 4.527 -0.001 0.000 0.319 422 F C -1.499 174.374 175.800 0.121 0.000 1.166 422 F CA -1.766 56.267 58.000 0.055 0.000 0.899 422 F CB 0.364 39.353 39.000 -0.018 0.000 1.332 422 F HN -0.308 nan 8.300 nan 0.000 0.461 423 A N 1.150 124.222 122.820 0.420 0.000 2.271 423 A HA 0.890 5.210 4.320 -0.000 0.000 0.317 423 A C -0.378 177.452 177.584 0.411 0.000 1.245 423 A CA -0.177 52.072 52.037 0.353 0.000 0.857 423 A CB 0.259 19.378 19.000 0.198 0.000 1.175 423 A HN 1.598 nan 8.150 nan 0.000 0.512 424 A N 1.983 125.095 122.820 0.487 0.000 2.293 424 A HA 0.751 5.071 4.320 -0.000 0.000 0.302 424 A C 0.759 178.542 177.584 0.332 0.000 1.119 424 A CA 0.086 52.371 52.037 0.414 0.000 0.823 424 A CB 0.357 19.667 19.000 0.516 0.000 1.097 424 A HN 2.098 nan 8.150 nan 0.000 0.491 425 A N 0.994 123.997 122.820 0.305 0.000 2.445 425 A HA 0.456 4.776 4.320 -0.000 0.000 0.242 425 A C 0.466 178.221 177.584 0.285 0.000 1.075 425 A CA 0.053 52.233 52.037 0.239 0.000 0.777 425 A CB 0.006 19.118 19.000 0.186 0.000 1.013 425 A HN 0.853 nan 8.150 nan 0.000 0.493 426 K N 1.083 121.605 120.400 0.203 0.000 2.156 426 K HA 0.477 4.797 4.320 -0.000 0.000 0.271 426 K C 0.915 177.579 176.600 0.106 0.000 0.995 426 K CA 0.408 56.806 56.287 0.185 0.000 0.890 426 K CB 0.595 33.177 32.500 0.138 0.000 1.073 426 K HN 1.627 nan 8.250 nan 0.000 0.454 427 G N 2.662 111.497 108.800 0.059 0.000 2.168 427 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 427 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 427 G C -0.505 174.373 174.900 -0.037 0.000 0.997 427 G CA 0.514 45.599 45.100 -0.024 0.000 0.708 427 G HN 0.605 nan 8.290 nan 0.000 0.520 428 Q N -1.086 118.707 119.800 -0.012 0.000 2.304 428 Q HA 0.514 4.854 4.340 -0.000 0.000 0.270 428 Q C -0.753 175.250 176.000 0.005 0.000 1.035 428 Q CA -1.036 54.780 55.803 0.021 0.000 0.781 428 Q CB 1.646 30.434 28.738 0.084 0.000 1.261 428 Q HN 0.273 nan 8.270 nan 0.000 0.444 429 Y N 1.501 121.821 120.300 0.034 0.000 2.712 429 Y HA -0.012 4.538 4.550 -0.001 0.000 0.333 429 Y C 0.541 176.466 175.900 0.042 0.000 1.225 429 Y CA 0.895 59.000 58.100 0.009 0.000 1.499 429 Y CB 0.596 39.061 38.460 0.008 0.000 1.288 429 Y HN 0.455 nan 8.280 nan 0.000 0.575 430 E N 2.321 122.652 120.200 0.217 0.000 2.312 430 E HA 0.419 4.769 4.350 -0.000 0.000 0.267 430 E C -0.881 175.846 176.600 0.212 0.000 0.894 430 E CA -1.277 55.262 56.400 0.232 0.000 0.773 430 E CB 2.077 32.002 29.700 0.375 0.000 1.241 430 E HN 0.379 nan 8.360 nan 0.000 0.432 431 R N 1.923 122.555 120.500 0.220 0.000 2.215 431 R HA 0.218 4.558 4.340 -0.000 0.000 0.336 431 R C -1.369 175.119 176.300 0.315 0.000 0.996 431 R CA -0.574 55.632 56.100 0.176 0.000 0.847 431 R CB 0.540 30.886 30.300 0.077 0.000 1.127 431 R HN 0.392 nan 8.270 nan 0.000 0.465 432 W N 3.819 125.059 121.300 -0.099 0.000 2.349 432 W HA 0.283 4.942 4.660 -0.001 0.000 0.309 432 W C -0.306 176.135 176.519 -0.131 0.000 1.083 432 W CA -0.652 56.621 57.345 -0.120 0.000 1.224 432 W CB 1.349 30.742 29.460 -0.110 0.000 1.256 432 W HN 0.111 nan 8.180 nan 0.000 0.461 433 V N 6.556 126.490 119.914 0.034 0.000 2.333 433 V HA 0.325 4.444 4.120 -0.000 0.000 0.274 433 V C -0.158 175.888 176.094 -0.081 0.000 1.028 433 V CA -0.751 61.533 62.300 -0.027 0.000 0.851 433 V CB 0.401 32.197 31.823 -0.045 0.000 1.000 433 V HN 0.222 nan 8.190 nan 0.000 0.456 434 I N 4.233 124.742 120.570 -0.100 0.000 2.355 434 I HA 0.415 4.585 4.170 -0.000 0.000 0.288 434 I C 0.285 176.324 176.117 -0.131 0.000 0.999 434 I CA 0.250 61.427 61.300 -0.205 0.000 1.163 434 I CB 1.847 39.610 38.000 -0.395 0.000 1.316 434 I HN 0.547 nan 8.210 nan 0.000 0.454 435 S N 3.651 119.278 115.700 -0.121 0.000 2.451 435 S HA 0.673 5.143 4.470 -0.000 0.000 0.301 435 S C 0.735 175.304 174.600 -0.052 0.000 1.116 435 S CA -0.447 57.716 58.200 -0.061 0.000 1.093 435 S CB 1.215 64.386 63.200 -0.048 0.000 1.017 435 S HN 0.821 nan 8.310 nan 0.000 0.482 436 G N 3.038 111.845 108.800 0.011 0.000 3.575 436 G HA2 0.276 4.236 3.960 -0.000 0.000 0.273 436 G HA3 0.276 4.236 3.960 -0.000 0.000 0.273 436 G C -0.074 174.868 174.900 0.069 0.000 1.053 436 G CA -0.158 44.980 45.100 0.063 0.000 0.803 436 G HN 0.657 nan 8.290 nan 0.000 0.528 437 V N 1.022 120.957 119.914 0.034 0.000 2.540 437 V HA 0.459 4.578 4.120 -0.000 0.000 0.297 437 V C 1.504 177.617 176.094 0.031 0.000 1.024 437 V CA 1.664 63.983 62.300 0.031 0.000 1.105 437 V CB 0.577 32.408 31.823 0.015 0.000 0.938 437 V HN 0.667 nan 8.190 nan 0.000 0.482 438 G N 4.217 113.041 108.800 0.040 0.000 2.380 438 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.197 438 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.197 438 G C -0.252 174.682 174.900 0.057 0.000 1.001 438 G CA 0.127 45.251 45.100 0.040 0.000 0.668 438 G HN 0.980 nan 8.290 nan 0.000 0.483 439 D N -2.667 117.784 120.400 0.085 0.000 2.610 439 D HA 0.716 5.356 4.640 -0.000 0.000 0.271 439 D C 0.857 177.221 176.300 0.106 0.000 1.174 439 D CA 0.153 54.214 54.000 0.102 0.000 0.949 439 D CB 0.600 41.482 40.800 0.137 0.000 1.430 439 D HN 0.823 nan 8.370 nan 0.000 0.467 440 M N 0.006 119.654 119.600 0.081 0.000 2.356 440 M HA 0.361 4.841 4.480 -0.000 0.000 0.262 440 M C 0.293 176.607 176.300 0.023 0.000 1.097 440 M CA 0.010 55.340 55.300 0.049 0.000 0.991 440 M CB -0.474 32.143 32.600 0.028 0.000 1.450 440 M HN 0.446 nan 8.290 nan 0.000 0.495 441 M N 0.840 120.456 119.600 0.026 0.000 2.228 441 M HA 0.589 5.069 4.480 -0.000 0.000 0.326 441 M C -0.292 175.832 176.300 -0.294 0.000 1.122 441 M CA -1.410 53.829 55.300 -0.100 0.000 1.161 441 M CB 0.667 33.237 32.600 -0.050 0.000 1.437 441 M HN 0.358 nan 8.290 nan 0.000 0.465 442 L N 3.223 124.270 121.223 -0.292 0.000 2.276 442 L HA 0.275 4.615 4.340 -0.000 0.000 0.286 442 L C -0.745 175.927 176.870 -0.331 0.000 1.061 442 L CA 0.330 55.038 54.840 -0.220 0.000 0.807 442 L CB 0.078 42.080 42.059 -0.097 0.000 1.177 442 L HN 0.442 nan 8.230 nan 0.000 0.429 443 H N 5.415 124.604 119.070 0.199 0.000 2.866 443 H HA 0.341 4.895 4.556 -0.003 0.000 0.287 443 H C -2.409 173.096 175.328 0.296 0.000 1.106 443 H CA -2.049 54.164 56.048 0.276 0.000 1.396 443 H CB 0.953 30.896 29.762 0.302 0.000 1.469 443 H HN 0.441 nan 8.280 nan 0.000 0.500 444 P HA 0.052 nan 4.420 nan 0.000 0.277 444 P C -0.304 177.269 177.300 0.456 0.000 1.354 444 P CA -0.133 63.187 63.100 0.366 0.000 0.891 444 P CB -0.397 31.475 31.700 0.287 0.000 1.058 445 F N 4.477 124.626 119.950 0.331 0.000 2.411 445 F HA 0.341 4.867 4.527 -0.001 0.000 0.355 445 F C 0.364 176.386 175.800 0.371 0.000 1.117 445 F CA -0.403 57.789 58.000 0.319 0.000 1.139 445 F CB 0.460 39.615 39.000 0.259 0.000 1.120 445 F HN 0.309 nan 8.300 nan 0.000 0.493 446 H N 6.169 125.040 119.070 -0.331 0.000 2.469 446 H HA 0.600 5.156 4.556 -0.001 0.000 0.342 446 H C -1.216 173.949 175.328 -0.272 0.000 1.115 446 H CA -0.841 55.116 56.048 -0.151 0.000 1.204 446 H CB 1.094 30.803 29.762 -0.088 0.000 1.492 446 H HN 0.597 nan 8.280 nan 0.000 0.499 447 I N 5.471 125.802 120.570 -0.399 0.000 2.418 447 I HA 0.203 4.373 4.170 -0.000 0.000 0.287 447 I C 0.194 176.140 176.117 -0.284 0.000 1.008 447 I CA -0.639 60.566 61.300 -0.158 0.000 1.104 447 I CB 1.239 39.357 38.000 0.196 0.000 1.264 447 I HN 0.614 nan 8.210 nan 0.000 0.438 448 H N 3.891 122.769 119.070 -0.319 0.000 2.671 448 H HA 0.161 4.717 4.556 -0.000 0.000 0.372 448 H C 1.162 176.335 175.328 -0.259 0.000 1.227 448 H CA 0.445 56.368 56.048 -0.208 0.000 1.426 448 H CB 0.929 30.636 29.762 -0.091 0.000 1.480 448 H HN 0.957 nan 8.280 nan 0.000 0.611 449 G N 0.901 109.579 108.800 -0.203 0.000 2.155 449 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.257 449 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.257 449 G C 0.293 175.169 174.900 -0.040 0.000 0.983 449 G CA 0.727 45.575 45.100 -0.420 0.000 0.676 449 G HN 0.838 nan 8.290 nan 0.000 0.528 450 T N -0.996 113.540 114.554 -0.030 0.000 2.885 450 T HA 0.552 4.902 4.350 -0.000 0.000 0.322 450 T C -1.852 172.769 174.700 -0.130 0.000 1.387 450 T CA -0.451 61.588 62.100 -0.101 0.000 1.041 450 T CB 1.716 70.439 68.868 -0.242 0.000 1.287 450 T HN 0.120 nan 8.240 nan 0.000 0.491 451 Q N 3.042 122.728 119.800 -0.190 0.000 2.333 451 Q HA 0.480 4.820 4.340 -0.000 0.000 0.268 451 Q C -0.789 175.253 176.000 0.070 0.000 1.007 451 Q CA -0.460 55.231 55.803 -0.187 0.000 0.810 451 Q CB 1.310 29.869 28.738 -0.299 0.000 1.264 451 Q HN 0.651 nan 8.270 nan 0.000 0.452 452 F N 0.055 120.134 119.950 0.214 0.000 2.525 452 F HA 0.752 5.279 4.527 -0.000 0.000 0.346 452 F C -0.027 175.930 175.800 0.263 0.000 1.072 452 F CA -1.313 56.820 58.000 0.222 0.000 1.033 452 F CB 0.716 39.717 39.000 0.001 0.000 1.324 452 F HN 0.072 nan 8.300 nan 0.000 0.491 453 R N 1.289 122.087 120.500 0.498 0.000 2.445 453 R HA 0.491 4.831 4.340 -0.000 0.000 0.308 453 R C -0.988 175.462 176.300 0.251 0.000 0.961 453 R CA -0.809 55.424 56.100 0.221 0.000 0.862 453 R CB 1.537 31.822 30.300 -0.025 0.000 1.144 453 R HN 0.765 nan 8.270 nan 0.000 0.447 454 I N 3.943 124.642 120.570 0.215 0.000 2.379 454 I HA -0.049 4.121 4.170 -0.000 0.000 0.290 454 I C 1.534 177.674 176.117 0.038 0.000 1.063 454 I CA -0.155 61.227 61.300 0.136 0.000 1.351 454 I CB 0.826 38.923 38.000 0.162 0.000 1.410 454 I HN 0.399 nan 8.210 nan 0.000 0.505 455 L N 5.478 126.705 121.223 0.006 0.000 2.127 455 L HA 0.178 4.518 4.340 -0.000 0.000 0.203 455 L C 0.812 177.678 176.870 -0.007 0.000 1.080 455 L CA 1.366 56.196 54.840 -0.017 0.000 0.768 455 L CB 0.119 42.160 42.059 -0.030 0.000 0.924 455 L HN 0.587 nan 8.230 nan 0.000 0.444 456 S N -0.670 115.032 115.700 0.004 0.000 2.575 456 S HA 0.421 4.891 4.470 -0.000 0.000 0.278 456 S C -0.930 173.686 174.600 0.027 0.000 1.139 456 S CA -0.674 57.532 58.200 0.010 0.000 0.954 456 S CB 1.006 64.208 63.200 0.003 0.000 1.054 456 S HN 0.276 nan 8.310 nan 0.000 0.483 457 E N 3.277 123.499 120.200 0.036 0.000 2.149 457 E HA 0.362 4.712 4.350 -0.000 0.000 0.255 457 E C -0.386 176.245 176.600 0.050 0.000 0.888 457 E CA -0.298 56.136 56.400 0.057 0.000 0.742 457 E CB 0.353 30.095 29.700 0.070 0.000 1.164 457 E HN 0.782 nan 8.360 nan 0.000 0.422 458 N N 3.709 122.440 118.700 0.052 0.000 2.727 458 N HA -0.243 4.497 4.740 -0.000 0.000 0.249 458 N C 0.349 175.879 175.510 0.033 0.000 1.048 458 N CA 1.714 54.794 53.050 0.049 0.000 0.714 458 N CB -1.060 37.464 38.487 0.062 0.000 0.959 458 N HN 0.896 nan 8.380 nan 0.000 0.544 459 G N -1.932 106.882 108.800 0.024 0.000 2.179 459 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 459 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 459 G C -0.119 174.788 174.900 0.012 0.000 0.990 459 G CA 0.411 45.520 45.100 0.016 0.000 0.646 459 G HN 0.606 nan 8.290 nan 0.000 0.517 460 K N -0.189 120.219 120.400 0.014 0.000 2.533 460 K HA 0.532 4.852 4.320 -0.000 0.000 0.272 460 K C -3.148 173.457 176.600 0.008 0.000 0.985 460 K CA -2.179 54.113 56.287 0.010 0.000 0.876 460 K CB 2.491 34.997 32.500 0.011 0.000 1.452 460 K HN -0.070 nan 8.250 nan 0.000 0.439 461 P HA 0.074 nan 4.420 nan 0.000 0.269 461 P C -2.429 174.871 177.300 -0.001 0.000 1.215 461 P CA -0.849 62.250 63.100 -0.002 0.000 0.780 461 P CB -0.238 31.457 31.700 -0.008 0.000 0.898 462 P HA 0.087 nan 4.420 nan 0.000 0.272 462 P C -0.522 176.757 177.300 -0.035 0.000 1.223 462 P CA -0.103 62.991 63.100 -0.010 0.000 0.784 462 P CB 0.409 32.108 31.700 -0.001 0.000 0.923 463 A N 2.194 124.972 122.820 -0.071 0.000 2.466 463 A HA 0.330 4.650 4.320 -0.000 0.000 0.238 463 A C 1.800 179.323 177.584 -0.101 0.000 1.074 463 A CA 0.376 52.365 52.037 -0.079 0.000 0.774 463 A CB -0.522 18.412 19.000 -0.109 0.000 1.015 463 A HN 0.616 nan 8.150 nan 0.000 0.498 464 A N 0.801 123.621 122.820 -0.000 0.000 1.917 464 A HA -0.210 4.109 4.320 -0.000 0.000 0.219 464 A C 1.764 179.372 177.584 0.040 0.000 1.182 464 A CA 2.005 54.057 52.037 0.026 0.000 0.633 464 A CB -1.029 18.007 19.000 0.060 0.000 0.819 464 A HN 1.127 nan 8.150 nan 0.000 0.448 465 H N -1.334 117.756 119.070 0.033 0.000 2.555 465 H HA 0.165 4.721 4.556 -0.001 0.000 0.269 465 H C 1.153 176.603 175.328 0.203 0.000 0.988 465 H CA 0.974 57.068 56.048 0.076 0.000 1.178 465 H CB -0.199 29.553 29.762 -0.016 0.000 1.373 465 H HN 0.545 nan 8.280 nan 0.000 0.588 466 R N 0.286 120.640 120.500 -0.243 0.000 2.472 466 R HA 0.379 4.719 4.340 -0.000 0.000 0.279 466 R C 1.262 177.563 176.300 0.002 0.000 0.953 466 R CA 0.442 56.513 56.100 -0.048 0.000 1.088 466 R CB 0.778 31.002 30.300 -0.127 0.000 1.197 466 R HN 0.242 nan 8.270 nan 0.000 0.536 467 A N 0.688 123.495 122.820 -0.022 0.000 2.275 467 A HA 0.277 4.597 4.320 -0.000 0.000 0.212 467 A C 1.167 178.694 177.584 -0.096 0.000 1.201 467 A CA 0.328 52.340 52.037 -0.042 0.000 0.843 467 A CB 0.179 19.151 19.000 -0.048 0.000 0.873 467 A HN 0.321 nan 8.150 nan 0.000 0.492 468 G N -1.094 107.658 108.800 -0.080 0.000 2.975 468 G HA2 0.362 4.322 3.960 -0.000 0.000 0.159 468 G HA3 0.362 4.322 3.960 -0.000 0.000 0.159 468 G C -0.647 174.131 174.900 -0.204 0.000 1.525 468 G CA -0.929 44.048 45.100 -0.205 0.000 1.075 468 G HN 0.437 nan 8.290 nan 0.000 0.574 469 W N 1.460 122.760 121.300 0.001 0.000 2.388 469 W HA 0.501 5.161 4.660 -0.001 0.000 0.308 469 W C 0.204 176.645 176.519 -0.130 0.000 1.263 469 W CA -0.527 56.786 57.345 -0.053 0.000 1.286 469 W CB 0.871 30.304 29.460 -0.046 0.000 1.294 469 W HN -0.079 nan 8.180 nan 0.000 0.493 470 K N 2.205 122.616 120.400 0.017 0.000 2.435 470 K HA 0.184 4.504 4.320 -0.000 0.000 0.251 470 K C -0.148 175.949 176.600 -0.837 0.000 0.954 470 K CA -0.660 55.475 56.287 -0.253 0.000 0.820 470 K CB 1.995 34.435 32.500 -0.100 0.000 1.292 470 K HN 0.506 nan 8.250 nan 0.000 0.436 471 D N -1.490 118.590 120.400 -0.532 0.000 2.469 471 D HA 0.087 4.727 4.640 -0.000 0.000 0.215 471 D C -0.509 175.851 176.300 0.100 0.000 1.154 471 D CA -0.082 53.626 54.000 -0.488 0.000 0.832 471 D CB 0.620 41.449 40.800 0.048 0.000 1.008 471 D HN 0.239 nan 8.370 nan 0.000 0.506 472 T N -0.162 114.491 114.554 0.165 0.000 2.912 472 T HA 0.573 4.922 4.350 -0.000 0.000 0.299 472 T C -1.448 173.552 174.700 0.500 0.000 1.052 472 T CA -0.794 61.566 62.100 0.433 0.000 0.996 472 T CB 2.516 71.550 68.868 0.277 0.000 1.070 472 T HN -0.047 nan 8.240 nan 0.000 0.465 473 V N 2.384 122.614 119.914 0.527 0.000 2.841 473 V HA 0.626 4.745 4.120 -0.000 0.000 0.310 473 V C -0.841 175.451 176.094 0.330 0.000 1.090 473 V CA -1.015 61.527 62.300 0.404 0.000 0.930 473 V CB 2.021 34.056 31.823 0.352 0.000 1.014 473 V HN 0.843 nan 8.190 nan 0.000 0.425 474 K N 4.310 124.858 120.400 0.247 0.000 2.339 474 K HA 0.591 4.910 4.320 -0.000 0.000 0.286 474 K C -1.373 175.345 176.600 0.196 0.000 1.050 474 K CA -0.257 56.157 56.287 0.212 0.000 0.956 474 K CB 1.155 33.748 32.500 0.156 0.000 0.990 474 K HN 0.557 nan 8.250 nan 0.000 0.475 475 V N 4.762 124.814 119.914 0.230 0.000 2.443 475 V HA 0.252 4.372 4.120 -0.000 0.000 0.293 475 V C -0.862 175.369 176.094 0.228 0.000 1.021 475 V CA -0.589 61.837 62.300 0.210 0.000 0.848 475 V CB 1.371 33.323 31.823 0.216 0.000 0.998 475 V HN 0.904 nan 8.190 nan 0.000 0.424 476 E N 3.626 123.919 120.200 0.156 0.000 2.768 476 E HA 0.482 4.832 4.350 -0.000 0.000 0.290 476 E C 0.700 177.357 176.600 0.095 0.000 1.100 476 E CA 0.377 56.847 56.400 0.117 0.000 0.768 476 E CB 0.858 30.596 29.700 0.063 0.000 1.501 476 E HN 0.990 nan 8.360 nan 0.000 0.384 477 G N 3.138 112.009 108.800 0.118 0.000 2.166 477 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 477 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 477 G C 0.154 175.090 174.900 0.060 0.000 0.986 477 G CA 0.719 45.868 45.100 0.082 0.000 0.683 477 G HN 0.543 nan 8.290 nan 0.000 0.527 478 N N -1.929 116.809 118.700 0.063 0.000 3.574 478 N HA 0.639 5.379 4.740 -0.000 0.000 0.340 478 N C -0.858 174.674 175.510 0.036 0.000 1.650 478 N CA 0.214 53.289 53.050 0.042 0.000 0.762 478 N CB 1.612 40.121 38.487 0.037 0.000 2.206 478 N HN 0.200 nan 8.380 nan 0.000 0.621 479 V N 0.495 120.423 119.914 0.023 0.000 2.769 479 V HA 0.657 4.776 4.120 -0.000 0.000 0.312 479 V C -0.432 175.670 176.094 0.014 0.000 1.061 479 V CA -0.512 61.792 62.300 0.008 0.000 0.931 479 V CB 1.608 33.428 31.823 -0.005 0.000 1.010 479 V HN 0.631 nan 8.190 nan 0.000 0.433 480 S N 2.112 117.815 115.700 0.005 0.000 2.570 480 S HA 0.666 5.136 4.470 -0.000 0.000 0.286 480 S C -1.081 173.514 174.600 -0.008 0.000 1.099 480 S CA -0.856 57.352 58.200 0.013 0.000 0.913 480 S CB 2.114 65.341 63.200 0.044 0.000 1.085 480 S HN 0.783 nan 8.310 nan 0.000 0.480 481 E N 1.166 121.361 120.200 -0.008 0.000 2.234 481 E HA 0.588 4.938 4.350 -0.000 0.000 0.266 481 E C -1.136 175.433 176.600 -0.052 0.000 0.877 481 E CA -0.855 55.533 56.400 -0.020 0.000 0.758 481 E CB 2.050 31.743 29.700 -0.012 0.000 1.170 481 E HN 0.455 nan 8.360 nan 0.000 0.415 482 V N 0.377 120.225 119.914 -0.109 0.000 2.823 482 V HA 0.595 4.715 4.120 -0.000 0.000 0.312 482 V C -0.789 175.219 176.094 -0.143 0.000 1.072 482 V CA -1.036 61.130 62.300 -0.224 0.000 0.937 482 V CB 1.418 32.788 31.823 -0.753 0.000 1.013 482 V HN 0.565 nan 8.190 nan 0.000 0.430 483 L N 4.307 125.496 121.223 -0.057 0.000 2.276 483 L HA 0.710 5.050 4.340 -0.000 0.000 0.286 483 L C -0.372 176.599 176.870 0.169 0.000 1.024 483 L CA -0.564 54.294 54.840 0.030 0.000 0.826 483 L CB 1.425 43.447 42.059 -0.063 0.000 1.211 483 L HN 0.632 nan 8.230 nan 0.000 0.422 484 V N 4.630 124.562 119.914 0.030 0.000 2.604 484 V HA 0.593 4.713 4.120 -0.000 0.000 0.305 484 V C -0.837 175.005 176.094 -0.420 0.000 1.043 484 V CA -0.468 61.674 62.300 -0.264 0.000 0.888 484 V CB 2.396 33.754 31.823 -0.775 0.000 0.995 484 V HN 0.807 nan 8.190 nan 0.000 0.429 485 K N 5.025 125.023 120.400 -0.671 0.000 2.468 485 K HA 0.592 4.912 4.320 -0.000 0.000 0.252 485 K C -2.077 174.086 176.600 -0.729 0.000 0.932 485 K CA -0.533 55.324 56.287 -0.716 0.000 0.794 485 K CB 1.749 33.677 32.500 -0.953 0.000 1.241 485 K HN 0.521 nan 8.250 nan 0.000 0.428 486 F N 3.149 123.052 119.950 -0.079 0.000 2.375 486 F HA 0.335 4.862 4.527 -0.001 0.000 0.361 486 F C 0.600 176.374 175.800 -0.043 0.000 1.117 486 F CA -0.696 57.307 58.000 0.004 0.000 1.037 486 F CB 1.455 40.562 39.000 0.178 0.000 1.192 486 F HN 0.611 nan 8.300 nan 0.000 0.452 487 N N 1.067 119.755 118.700 -0.021 0.000 2.398 487 N HA 0.051 4.790 4.740 -0.000 0.000 0.188 487 N C -0.658 174.539 175.510 -0.522 0.000 1.122 487 N CA 0.178 53.047 53.050 -0.302 0.000 0.866 487 N CB 0.091 38.288 38.487 -0.482 0.000 0.970 487 N HN 0.587 nan 8.380 nan 0.000 0.462 488 H N -0.860 118.335 119.070 0.209 0.000 2.946 488 H HA 0.215 4.771 4.556 -0.000 0.000 0.365 488 H C -0.953 174.521 175.328 0.244 0.000 1.197 488 H CA -1.198 54.967 56.048 0.195 0.000 1.131 488 H CB 1.160 31.037 29.762 0.192 0.000 1.849 488 H HN 0.037 nan 8.280 nan 0.000 0.555 489 D N 0.503 121.047 120.400 0.240 0.000 2.294 489 D HA 0.556 5.196 4.640 -0.000 0.000 0.250 489 D C -0.668 175.547 176.300 -0.142 0.000 1.058 489 D CA -0.977 53.070 54.000 0.078 0.000 0.950 489 D CB 2.076 42.900 40.800 0.041 0.000 1.158 489 D HN 0.606 nan 8.370 nan 0.000 0.453 490 A N 1.845 124.501 122.820 -0.273 0.000 2.547 490 A HA 0.473 4.793 4.320 -0.000 0.000 0.279 490 A C -2.888 174.534 177.584 -0.270 0.000 1.088 490 A CA -1.090 50.650 52.037 -0.496 0.000 0.796 490 A CB 1.646 19.892 19.000 -1.256 0.000 1.308 490 A HN 0.442 nan 8.150 nan 0.000 0.415 491 P HA 0.217 nan 4.420 nan 0.000 0.277 491 P C 0.620 177.843 177.300 -0.129 0.000 1.271 491 P CA -0.439 62.601 63.100 -0.101 0.000 0.795 491 P CB 0.892 32.561 31.700 -0.052 0.000 1.101 492 K N 0.221 120.557 120.400 -0.107 0.000 2.211 492 K HA -0.181 4.139 4.320 -0.000 0.000 0.204 492 K C 1.134 177.635 176.600 -0.166 0.000 1.047 492 K CA 1.714 57.929 56.287 -0.119 0.000 0.935 492 K CB -0.536 31.911 32.500 -0.088 0.000 0.728 492 K HN 0.183 nan 8.250 nan 0.000 0.452 493 E N 0.463 120.537 120.200 -0.211 0.000 2.274 493 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 493 E C 0.166 176.356 176.600 -0.683 0.000 0.996 493 E CA 0.842 57.000 56.400 -0.402 0.000 0.840 493 E CB 0.127 29.574 29.700 -0.421 0.000 0.772 493 E HN 0.430 nan 8.360 nan 0.000 0.491 494 H N -1.016 117.980 119.070 -0.124 0.000 2.597 494 H HA 0.488 5.044 4.556 -0.000 0.000 0.225 494 H C -0.720 174.460 175.328 -0.247 0.000 1.422 494 H CA -0.521 55.437 56.048 -0.150 0.000 1.335 494 H CB 0.019 29.699 29.762 -0.137 0.000 1.783 494 H HN 0.036 nan 8.280 nan 0.000 0.513 495 A N 0.932 123.646 122.820 -0.177 0.000 2.386 495 A HA 0.344 4.664 4.320 -0.000 0.000 0.248 495 A C -0.501 176.874 177.584 -0.349 0.000 1.082 495 A CA -0.195 51.666 52.037 -0.292 0.000 0.789 495 A CB 0.387 19.261 19.000 -0.210 0.000 1.025 495 A HN 0.301 nan 8.150 nan 0.000 0.490 496 Y N 0.683 120.647 120.300 -0.560 0.000 2.326 496 Y HA 0.340 4.890 4.550 -0.000 0.000 0.333 496 Y C 0.813 176.253 175.900 -0.767 0.000 1.240 496 Y CA -0.270 57.400 58.100 -0.717 0.000 1.365 496 Y CB 0.576 38.336 38.460 -1.166 0.000 1.289 496 Y HN 0.434 nan 8.280 nan 0.000 0.548 497 M N 1.926 121.220 119.600 -0.510 0.000 2.436 497 M HA 0.618 5.098 4.480 -0.000 0.000 0.331 497 M C -0.619 175.570 176.300 -0.185 0.000 1.135 497 M CA -0.976 54.034 55.300 -0.483 0.000 0.987 497 M CB 1.589 33.686 32.600 -0.838 0.000 1.687 497 M HN 0.673 nan 8.290 nan 0.000 0.445 498 A N 2.814 125.715 122.820 0.135 0.000 2.343 498 A HA 0.813 5.133 4.320 -0.000 0.000 0.308 498 A C -1.062 176.506 177.584 -0.026 0.000 1.092 498 A CA -0.446 51.662 52.037 0.118 0.000 0.751 498 A CB 0.581 19.951 19.000 0.618 0.000 1.203 498 A HN 1.053 nan 8.150 nan 0.000 0.452 499 H N -1.258 117.510 119.070 -0.504 0.000 3.003 499 H HA 0.561 5.116 4.556 -0.001 0.000 0.327 499 H C -0.778 174.421 175.328 -0.215 0.000 1.353 499 H CA -0.753 55.162 56.048 -0.222 0.000 1.142 499 H CB 0.421 30.148 29.762 -0.059 0.000 1.864 499 H HN 0.745 nan 8.280 nan 0.000 0.529 500 C N 2.016 121.516 119.300 0.334 0.000 2.637 500 C HA 0.106 4.566 4.460 -0.000 0.000 0.418 500 C C 1.258 176.541 174.990 0.488 0.000 1.319 500 C CA 0.001 59.288 59.018 0.448 0.000 1.949 500 C CB -0.808 27.268 27.740 0.559 0.000 2.639 500 C HN 1.011 nan 8.230 nan 0.000 0.594 501 H N 3.720 123.002 119.070 0.353 0.000 2.529 501 H HA 0.192 4.747 4.556 -0.001 0.000 0.277 501 H C 0.444 175.910 175.328 0.231 0.000 1.004 501 H CA 0.122 56.379 56.048 0.348 0.000 1.167 501 H CB 0.185 30.147 29.762 0.334 0.000 1.445 501 H HN 0.664 nan 8.280 nan 0.000 0.554 502 L N 2.134 123.503 121.223 0.242 0.000 2.485 502 L HA 0.019 4.359 4.340 -0.000 0.000 0.279 502 L C 0.940 177.841 176.870 0.052 0.000 1.124 502 L CA -0.233 54.646 54.840 0.065 0.000 0.888 502 L CB 0.261 42.229 42.059 -0.152 0.000 1.217 502 L HN 0.232 nan 8.230 nan 0.000 0.464 503 L N 2.927 124.168 121.223 0.029 0.000 2.141 503 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 503 L C 1.855 178.757 176.870 0.053 0.000 1.094 503 L CA 0.793 55.620 54.840 -0.022 0.000 0.763 503 L CB -0.225 41.798 42.059 -0.061 0.000 0.908 503 L HN 0.653 nan 8.230 nan 0.000 0.437 504 E N -0.709 119.557 120.200 0.109 0.000 2.150 504 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 504 E C 2.006 178.768 176.600 0.269 0.000 0.985 504 E CA 0.991 57.495 56.400 0.174 0.000 0.814 504 E CB -0.217 29.590 29.700 0.179 0.000 0.752 504 E HN 0.549 nan 8.360 nan 0.000 0.466 505 H N -0.370 118.788 119.070 0.147 0.000 2.363 505 H HA -0.039 4.517 4.556 -0.001 0.000 0.301 505 H C 2.076 177.491 175.328 0.144 0.000 1.074 505 H CA 0.968 57.120 56.048 0.174 0.000 1.354 505 H CB 0.242 30.153 29.762 0.248 0.000 1.397 505 H HN 0.203 nan 8.280 nan 0.000 0.516 506 E N 1.028 121.372 120.200 0.242 0.000 2.038 506 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 506 E C 1.387 178.012 176.600 0.041 0.000 1.000 506 E CA 1.520 57.975 56.400 0.092 0.000 0.803 506 E CB 0.082 29.741 29.700 -0.068 0.000 0.750 506 E HN 0.389 nan 8.360 nan 0.000 0.448 507 D N -0.320 120.106 120.400 0.044 0.000 2.218 507 D HA -0.111 4.529 4.640 -0.000 0.000 0.204 507 D C 1.626 177.966 176.300 0.068 0.000 0.976 507 D CA 1.689 55.717 54.000 0.047 0.000 0.853 507 D CB -0.118 40.720 40.800 0.063 0.000 0.939 507 D HN 0.342 nan 8.370 nan 0.000 0.481 508 T N -4.049 110.562 114.554 0.095 0.000 3.176 508 T HA 0.499 4.849 4.350 -0.000 0.000 0.263 508 T C 1.299 176.045 174.700 0.076 0.000 1.021 508 T CA 0.328 62.457 62.100 0.048 0.000 0.905 508 T CB 0.895 69.821 68.868 0.097 0.000 1.057 508 T HN 0.137 nan 8.240 nan 0.000 0.558 509 G N 1.525 110.407 108.800 0.136 0.000 2.551 509 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.186 509 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.186 509 G C 0.192 175.222 174.900 0.217 0.000 1.002 509 G CA -0.169 45.054 45.100 0.204 0.000 0.723 509 G HN 0.505 nan 8.290 nan 0.000 0.481 510 M N 1.613 121.330 119.600 0.194 0.000 3.596 510 M HA 0.717 5.197 4.480 -0.000 0.000 0.212 510 M C 0.035 176.485 176.300 0.249 0.000 1.519 510 M CA 0.372 55.807 55.300 0.224 0.000 1.670 510 M CB -0.418 32.331 32.600 0.249 0.000 1.113 510 M HN 0.417 nan 8.290 nan 0.000 0.565 511 M N 3.289 123.018 119.600 0.215 0.000 2.534 511 M HA 0.579 5.059 4.480 -0.000 0.000 0.280 511 M C -2.195 174.233 176.300 0.213 0.000 1.217 511 M CA -0.876 54.494 55.300 0.117 0.000 0.893 511 M CB 1.927 34.368 32.600 -0.265 0.000 1.730 511 M HN 0.382 nan 8.290 nan 0.000 0.483 512 L N 0.958 122.299 121.223 0.196 0.000 2.376 512 L HA 1.118 5.458 4.340 -0.000 0.000 0.258 512 L C -0.604 176.385 176.870 0.198 0.000 1.013 512 L CA -0.414 54.592 54.840 0.277 0.000 0.822 512 L CB 1.770 43.946 42.059 0.194 0.000 1.388 512 L HN 0.649 nan 8.230 nan 0.000 0.413 513 G N 0.323 109.254 108.800 0.219 0.000 2.389 513 G HA2 0.731 4.691 3.960 -0.000 0.000 0.328 513 G HA3 0.731 4.691 3.960 -0.000 0.000 0.328 513 G C -1.308 173.575 174.900 -0.029 0.000 1.133 513 G CA -0.535 44.611 45.100 0.076 0.000 0.891 513 G HN 0.945 nan 8.290 nan 0.000 0.485 514 F N -0.430 119.408 119.950 -0.188 0.000 2.645 514 F HA 0.818 5.345 4.527 -0.001 0.000 0.310 514 F C -0.146 175.592 175.800 -0.103 0.000 1.102 514 F CA -1.180 56.650 58.000 -0.284 0.000 0.952 514 F CB 1.546 40.254 39.000 -0.488 0.000 1.326 514 F HN 0.669 nan 8.300 nan 0.000 0.456 515 T N -0.029 114.568 114.554 0.073 0.000 2.940 515 T HA 0.889 5.239 4.350 -0.000 0.000 0.288 515 T C -0.922 173.872 174.700 0.157 0.000 1.033 515 T CA -0.613 61.479 62.100 -0.014 0.000 1.033 515 T CB 1.760 70.621 68.868 -0.012 0.000 1.079 515 T HN 0.783 nan 8.240 nan 0.000 0.496 516 V N 0.000 119.948 119.914 0.057 0.000 2.409 516 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 516 V CA 0.000 62.388 62.300 0.146 0.000 1.235 516 V CB 0.000 31.962 31.823 0.231 0.000 1.184 516 V HN 0.000 nan 8.190 nan 0.000 0.556