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 1bke_1_A DATA FIRST_RESID 4 DATA SEQUENCE KSEVAHRFKD LGEENFKALV LIAFAQYLQQ CPFEDHVKLV NEVTEFAKTc DATA SEQUENCE VADESAENcD KSLHTLFGDK LcTVATLRET YGEMADccAK QEPERNEcFL DATA SEQUENCE QHKDDNPNLP RLVRPEVDVM cTAFHDNEET FLKKYLYEIA RRHPYFYAPE DATA SEQUENCE LLFFAKRYKA AFTEccQAAD KAAcLLPKLD ELRDEGKASS AKQRLKcASL DATA SEQUENCE QKFGERAFKA WAVARLSQRF PKAEFAEVSK LVTDLTKVHT EccHGDLLEc DATA SEQUENCE ADDRADLAKY IcENQDSISS KLKEccEKPL LEKSHcIAEV ENDEMPADLP DATA SEQUENCE SLAADFVESK DVcKNYAEAK DVFLGMFLYE YARRHPDYSV VLLLRLAKTY DATA SEQUENCE ETTLEKccAA ADPHEcYAKV FDEFKPLVEE PQNLIKQNcE LFEQLGEYKF DATA SEQUENCE QNALLVRYTK KVPQVSTPTL VEVSRNLGKV GSKccKHPEA KRMPcAEDYL DATA SEQUENCE SVVLNQLcVL HEKTPVSDRV TKccTESLVN RRPcFSALEV DETYVPKEFN DATA SEQUENCE AETFTFHADI cTLSEKERQI KKQTALVELV KHKPKATKEQ LKAVMDDFAA DATA SEQUENCE FVEKccKADD KETcFAEEGK KLVAASQAAL G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.604 176.600 0.007 0.000 0.988 4 K CA 0.000 56.281 56.287 -0.011 0.000 0.838 4 K CB 0.000 32.491 32.500 -0.016 0.000 1.064 5 S N 0.452 116.157 115.700 0.008 0.000 2.659 5 S HA 0.412 4.891 4.470 0.016 0.000 0.312 5 S C 0.212 174.861 174.600 0.082 0.000 1.114 5 S CA -0.189 58.030 58.200 0.032 0.000 1.063 5 S CB 1.549 64.743 63.200 -0.010 0.000 0.996 5 S HN 0.361 nan 8.310 nan 0.000 0.478 6 E N 2.675 122.945 120.200 0.117 0.000 2.107 6 E HA -0.098 4.261 4.350 0.016 0.000 0.191 6 E C 1.716 178.433 176.600 0.194 0.000 0.982 6 E CA 1.294 57.796 56.400 0.171 0.000 0.809 6 E CB 0.092 29.888 29.700 0.161 0.000 0.756 6 E HN 0.698 nan 8.360 nan 0.000 0.459 7 V N 1.021 121.037 119.914 0.170 0.000 2.270 7 V HA -0.215 3.914 4.120 0.016 0.000 0.245 7 V C 2.466 178.611 176.094 0.085 0.000 1.043 7 V CA 1.755 64.164 62.300 0.182 0.000 1.014 7 V CB -1.104 30.828 31.823 0.181 0.000 0.645 7 V HN 0.241 nan 8.190 nan 0.000 0.447 8 A N -0.584 122.240 122.820 0.006 0.000 1.908 8 A HA -0.302 4.027 4.320 0.016 0.000 0.218 8 A C 2.262 179.909 177.584 0.105 0.000 1.181 8 A CA 2.221 54.240 52.037 -0.029 0.000 0.627 8 A CB -1.052 17.909 19.000 -0.066 0.000 0.818 8 A HN 0.769 nan 8.150 nan 0.000 0.445 9 H N -0.768 118.319 119.070 0.029 0.000 2.270 9 H HA -0.132 4.433 4.556 0.016 0.000 0.299 9 H C 2.303 177.672 175.328 0.068 0.000 1.077 9 H CA 1.389 57.464 56.048 0.046 0.000 1.294 9 H CB 0.037 29.828 29.762 0.048 0.000 1.371 9 H HN 0.254 nan 8.280 nan 0.000 0.491 10 R N 0.154 120.662 120.500 0.014 0.000 2.105 10 R HA -0.165 4.184 4.340 0.016 0.000 0.239 10 R C 2.329 178.625 176.300 -0.007 0.000 1.135 10 R CA 1.031 57.123 56.100 -0.013 0.000 0.967 10 R CB -1.380 29.029 30.300 0.182 0.000 0.861 10 R HN 0.359 nan 8.270 nan 0.000 0.442 11 F N 2.075 121.894 119.950 -0.220 0.000 2.046 11 F HA -0.220 4.316 4.527 0.016 0.000 0.297 11 F C 2.268 177.951 175.800 -0.196 0.000 1.123 11 F CA 1.747 59.504 58.000 -0.405 0.000 1.199 11 F CB -0.107 38.575 39.000 -0.530 0.000 0.972 11 F HN -0.075 nan 8.300 nan 0.000 0.474 12 K N -0.264 120.198 120.400 0.103 0.000 2.044 12 K HA -0.239 4.091 4.320 0.016 0.000 0.210 12 K C 1.506 178.096 176.600 -0.018 0.000 1.049 12 K CA 2.032 58.357 56.287 0.064 0.000 0.927 12 K CB -0.683 31.876 32.500 0.098 0.000 0.713 12 K HN 0.472 nan 8.250 nan 0.000 0.443 13 D N -0.263 120.100 120.400 -0.062 0.000 2.354 13 D HA -0.065 4.584 4.640 0.016 0.000 0.209 13 D C 1.631 177.887 176.300 -0.075 0.000 1.015 13 D CA 0.189 54.149 54.000 -0.066 0.000 0.867 13 D CB 0.057 40.803 40.800 -0.090 0.000 0.933 13 D HN -0.026 nan 8.370 nan 0.000 0.520 14 L N 0.559 121.722 121.223 -0.101 0.000 2.121 14 L HA 0.424 4.773 4.340 0.016 0.000 0.200 14 L C 1.154 177.950 176.870 -0.123 0.000 1.077 14 L CA 1.869 56.661 54.840 -0.079 0.000 0.766 14 L CB -0.676 41.371 42.059 -0.020 0.000 0.931 14 L HN 0.388 nan 8.230 nan 0.000 0.452 15 G N -0.953 107.688 108.800 -0.265 0.000 2.539 15 G HA2 -0.150 3.820 3.960 0.016 0.000 0.686 15 G HA3 -0.150 3.820 3.960 0.016 0.000 0.686 15 G C 0.243 174.845 174.900 -0.497 0.000 1.258 15 G CA 0.066 44.985 45.100 -0.301 0.000 0.846 15 G HN 0.245 nan 8.290 nan 0.000 0.647 16 E N -0.282 119.628 120.200 -0.482 0.000 2.106 16 E HA -0.113 4.247 4.350 0.016 0.000 0.192 16 E C 2.045 178.606 176.600 -0.066 0.000 0.984 16 E CA 1.603 57.770 56.400 -0.388 0.000 0.806 16 E CB -0.013 29.657 29.700 -0.051 0.000 0.750 16 E HN 0.461 nan 8.360 nan 0.000 0.458 17 E N 0.978 121.156 120.200 -0.036 0.000 2.017 17 E HA -0.171 4.189 4.350 0.016 0.000 0.193 17 E C 1.862 178.482 176.600 0.033 0.000 0.997 17 E CA 1.108 57.521 56.400 0.021 0.000 0.804 17 E CB -0.436 29.274 29.700 0.018 0.000 0.757 17 E HN 0.399 nan 8.360 nan 0.000 0.448 18 N N 0.009 118.716 118.700 0.012 0.000 2.270 18 N HA -0.126 4.624 4.740 0.016 0.000 0.181 18 N C 1.903 177.437 175.510 0.039 0.000 1.016 18 N CA 0.497 53.560 53.050 0.021 0.000 0.870 18 N CB -0.339 38.152 38.487 0.006 0.000 0.979 18 N HN 0.083 nan 8.380 nan 0.000 0.431 19 F N 2.882 122.747 119.950 -0.140 0.000 2.069 19 F HA -0.152 4.385 4.527 0.016 0.000 0.298 19 F C 2.272 178.065 175.800 -0.011 0.000 1.113 19 F CA 1.540 59.470 58.000 -0.118 0.000 1.214 19 F CB -0.111 38.720 39.000 -0.283 0.000 0.978 19 F HN -0.154 nan 8.300 nan 0.000 0.474 20 K N 0.111 120.573 120.400 0.103 0.000 2.032 20 K HA -0.179 4.150 4.320 0.016 0.000 0.209 20 K C 2.311 178.905 176.600 -0.009 0.000 1.048 20 K CA 1.314 57.627 56.287 0.043 0.000 0.927 20 K CB -0.700 31.875 32.500 0.123 0.000 0.712 20 K HN 0.374 nan 8.250 nan 0.000 0.441 21 A N 1.598 124.430 122.820 0.020 0.000 1.883 21 A HA -0.167 4.163 4.320 0.016 0.000 0.217 21 A C 2.188 179.775 177.584 0.004 0.000 1.186 21 A CA 1.396 53.456 52.037 0.038 0.000 0.624 21 A CB -0.701 18.332 19.000 0.055 0.000 0.822 21 A HN 0.161 nan 8.150 nan 0.000 0.444 22 L N -0.725 120.463 121.223 -0.058 0.000 2.017 22 L HA -0.159 4.191 4.340 0.016 0.000 0.208 22 L C 2.559 179.357 176.870 -0.119 0.000 1.073 22 L CA 1.144 55.922 54.840 -0.102 0.000 0.745 22 L CB -0.680 41.290 42.059 -0.149 0.000 0.894 22 L HN 0.240 nan 8.230 nan 0.000 0.432 23 V N 0.190 119.985 119.914 -0.199 0.000 2.282 23 V HA -0.340 3.790 4.120 0.016 0.000 0.249 23 V C 2.445 178.610 176.094 0.117 0.000 1.057 23 V CA 2.081 64.330 62.300 -0.085 0.000 1.032 23 V CB -0.488 31.247 31.823 -0.147 0.000 0.645 23 V HN 0.348 nan 8.190 nan 0.000 0.447 24 L N 0.081 121.340 121.223 0.061 0.000 1.970 24 L HA -0.194 4.155 4.340 0.016 0.000 0.212 24 L C 2.243 179.185 176.870 0.121 0.000 1.071 24 L CA 2.148 57.047 54.840 0.099 0.000 0.751 24 L CB -0.516 41.600 42.059 0.096 0.000 0.889 24 L HN 0.247 nan 8.230 nan 0.000 0.432 25 I N -0.215 120.411 120.570 0.093 0.000 2.248 25 I HA -0.355 3.824 4.170 0.016 0.000 0.248 25 I C 2.619 178.771 176.117 0.058 0.000 1.107 25 I CA 1.160 62.514 61.300 0.089 0.000 1.373 25 I CB -0.895 37.141 38.000 0.061 0.000 1.055 25 I HN 0.469 nan 8.210 nan 0.000 0.418 26 A N 1.242 124.072 122.820 0.016 0.000 1.841 26 A HA -0.222 4.107 4.320 0.016 0.000 0.216 26 A C 2.105 179.734 177.584 0.075 0.000 1.199 26 A CA 1.675 53.694 52.037 -0.030 0.000 0.621 26 A CB -1.197 17.687 19.000 -0.194 0.000 0.835 26 A HN 0.318 nan 8.150 nan 0.000 0.445 27 F N 0.228 120.214 119.950 0.060 0.000 2.202 27 F HA -0.115 4.422 4.527 0.016 0.000 0.301 27 F C 2.733 178.416 175.800 -0.195 0.000 1.082 27 F CA 1.025 58.984 58.000 -0.068 0.000 1.313 27 F CB -0.330 38.485 39.000 -0.308 0.000 1.024 27 F HN 0.270 nan 8.300 nan 0.000 0.495 28 A N -0.443 122.374 122.820 -0.004 0.000 1.898 28 A HA -0.198 4.132 4.320 0.016 0.000 0.216 28 A C 2.088 179.734 177.584 0.102 0.000 1.181 28 A CA 1.323 53.418 52.037 0.097 0.000 0.620 28 A CB -0.649 18.468 19.000 0.195 0.000 0.819 28 A HN 0.438 nan 8.150 nan 0.000 0.442 29 Q N -2.170 117.667 119.800 0.062 0.000 2.364 29 Q HA -0.127 4.223 4.340 0.016 0.000 0.207 29 Q C 1.342 177.266 176.000 -0.127 0.000 0.970 29 Q CA 1.262 57.041 55.803 -0.040 0.000 0.888 29 Q CB -0.130 28.548 28.738 -0.099 0.000 0.951 29 Q HN 0.874 nan 8.270 nan 0.000 0.469 30 Y N -0.690 119.605 120.300 -0.008 0.000 2.351 30 Y HA 0.043 4.602 4.550 0.016 0.000 0.291 30 Y C 0.668 176.501 175.900 -0.111 0.000 1.153 30 Y CA -0.015 58.051 58.100 -0.057 0.000 1.193 30 Y CB 0.588 38.985 38.460 -0.104 0.000 1.187 30 Y HN -0.030 nan 8.280 nan 0.000 0.524 31 L N 2.365 123.653 121.223 0.108 0.000 2.536 31 L HA 0.171 4.521 4.340 0.016 0.000 0.242 31 L C 0.724 177.825 176.870 0.386 0.000 1.280 31 L CA 0.212 55.093 54.840 0.069 0.000 1.221 31 L CB -0.233 41.957 42.059 0.218 0.000 1.449 31 L HN 0.359 nan 8.230 nan 0.000 0.405 32 Q N -0.723 119.264 119.800 0.312 0.000 2.515 32 Q HA -0.081 4.268 4.340 0.016 0.000 0.212 32 Q C 0.898 177.080 176.000 0.303 0.000 0.970 32 Q CA 0.612 56.578 55.803 0.272 0.000 0.941 32 Q CB 0.272 29.094 28.738 0.140 0.000 0.998 32 Q HN 0.523 nan 8.270 nan 0.000 0.518 33 Q N -0.498 119.579 119.800 0.463 0.000 2.378 33 Q HA 0.104 4.453 4.340 0.016 0.000 0.229 33 Q C 0.392 176.500 176.000 0.180 0.000 0.882 33 Q CA 0.106 56.040 55.803 0.217 0.000 0.936 33 Q CB 0.543 29.248 28.738 -0.055 0.000 1.092 33 Q HN 0.275 nan 8.270 nan 0.000 0.535 34 C N 4.164 123.654 119.300 0.317 0.000 2.662 34 C HA 0.210 4.680 4.460 0.016 0.000 0.420 34 C C -1.758 173.203 174.990 -0.048 0.000 1.314 34 C CA -0.889 58.195 59.018 0.110 0.000 1.963 34 C CB 0.383 28.205 27.740 0.137 0.000 2.686 34 C HN 0.269 nan 8.230 nan 0.000 0.609 35 P HA 0.015 nan 4.420 nan 0.000 0.272 35 P C 0.546 177.590 177.300 -0.427 0.000 1.230 35 P CA 0.009 63.028 63.100 -0.136 0.000 0.788 35 P CB 0.375 32.019 31.700 -0.093 0.000 0.949 36 F N 2.466 121.979 119.950 -0.729 0.000 2.065 36 F HA -0.254 4.282 4.527 0.016 0.000 0.298 36 F C 1.847 177.349 175.800 -0.497 0.000 1.112 36 F CA 2.006 59.400 58.000 -1.011 0.000 1.212 36 F CB -0.628 37.826 39.000 -0.910 0.000 0.975 36 F HN 0.285 nan 8.300 nan 0.000 0.476 37 E N 0.119 120.172 120.200 -0.245 0.000 2.209 37 E HA -0.219 4.140 4.350 0.016 0.000 0.196 37 E C 1.668 178.090 176.600 -0.298 0.000 0.993 37 E CA 1.510 57.766 56.400 -0.240 0.000 0.819 37 E CB -0.469 29.185 29.700 -0.077 0.000 0.745 37 E HN 0.471 nan 8.360 nan 0.000 0.477 38 D N -0.652 119.554 120.400 -0.324 0.000 2.123 38 D HA -0.094 4.556 4.640 0.016 0.000 0.200 38 D C 1.622 177.778 176.300 -0.240 0.000 0.976 38 D CA 0.934 54.775 54.000 -0.265 0.000 0.831 38 D CB -0.022 40.624 40.800 -0.256 0.000 0.974 38 D HN 0.250 nan 8.370 nan 0.000 0.469 39 H N -0.310 118.569 119.070 -0.319 0.000 2.363 39 H HA 0.047 4.612 4.556 0.016 0.000 0.301 39 H C 2.274 177.368 175.328 -0.390 0.000 1.074 39 H CA 0.382 56.234 56.048 -0.327 0.000 1.354 39 H CB -0.605 29.014 29.762 -0.239 0.000 1.397 39 H HN -0.003 nan 8.280 nan 0.000 0.516 40 V N 1.071 120.741 119.914 -0.407 0.000 2.546 40 V HA -0.258 3.872 4.120 0.016 0.000 0.254 40 V C 2.462 178.424 176.094 -0.221 0.000 1.076 40 V CA 1.831 63.905 62.300 -0.376 0.000 1.087 40 V CB -0.359 31.164 31.823 -0.500 0.000 0.674 40 V HN 0.306 nan 8.190 nan 0.000 0.470 41 K N -0.431 119.844 120.400 -0.209 0.000 2.076 41 K HA -0.023 4.306 4.320 0.016 0.000 0.204 41 K C 2.094 178.593 176.600 -0.168 0.000 1.051 41 K CA 1.000 57.194 56.287 -0.155 0.000 0.949 41 K CB -0.114 32.301 32.500 -0.141 0.000 0.726 41 K HN 0.354 nan 8.250 nan 0.000 0.443 42 L N 0.363 121.438 121.223 -0.247 0.000 2.017 42 L HA -0.209 4.141 4.340 0.016 0.000 0.208 42 L C 2.260 178.951 176.870 -0.299 0.000 1.073 42 L CA 0.997 55.610 54.840 -0.378 0.000 0.745 42 L CB -0.452 41.161 42.059 -0.742 0.000 0.894 42 L HN 0.029 nan 8.230 nan 0.000 0.432 43 V N 0.160 119.930 119.914 -0.240 0.000 2.392 43 V HA -0.296 3.834 4.120 0.016 0.000 0.249 43 V C 2.229 178.323 176.094 0.001 0.000 1.059 43 V CA 1.904 64.147 62.300 -0.095 0.000 1.051 43 V CB -0.720 31.063 31.823 -0.067 0.000 0.658 43 V HN 0.489 nan 8.190 nan 0.000 0.455 44 N N -0.080 118.604 118.700 -0.026 0.000 2.106 44 N HA -0.152 4.598 4.740 0.016 0.000 0.188 44 N C 1.900 177.436 175.510 0.043 0.000 1.029 44 N CA 1.418 54.482 53.050 0.023 0.000 0.848 44 N CB -0.293 38.188 38.487 -0.009 0.000 1.007 44 N HN 0.578 nan 8.380 nan 0.000 0.423 45 E N 0.297 120.492 120.200 -0.008 0.000 2.049 45 E HA -0.138 4.221 4.350 0.016 0.000 0.198 45 E C 1.819 178.468 176.600 0.082 0.000 1.007 45 E CA 1.160 57.562 56.400 0.003 0.000 0.809 45 E CB 0.077 29.736 29.700 -0.070 0.000 0.749 45 E HN 0.018 nan 8.360 nan 0.000 0.450 46 V N 0.305 120.274 119.914 0.091 0.000 2.407 46 V HA -0.239 3.890 4.120 0.016 0.000 0.248 46 V C 2.258 178.599 176.094 0.412 0.000 1.055 46 V CA 2.118 64.562 62.300 0.241 0.000 1.049 46 V CB -0.533 31.426 31.823 0.226 0.000 0.662 46 V HN 0.361 nan 8.190 nan 0.000 0.455 47 T N -0.880 113.896 114.554 0.370 0.000 2.904 47 T HA -0.151 4.208 4.350 0.016 0.000 0.267 47 T C 1.913 176.736 174.700 0.205 0.000 1.059 47 T CA 1.386 63.753 62.100 0.446 0.000 1.137 47 T CB -0.136 68.985 68.868 0.421 0.000 0.879 47 T HN 0.395 nan 8.240 nan 0.000 0.467 48 E N 0.691 120.986 120.200 0.159 0.000 2.106 48 E HA -0.048 4.312 4.350 0.016 0.000 0.192 48 E C 1.604 178.251 176.600 0.078 0.000 0.984 48 E CA 0.731 57.181 56.400 0.082 0.000 0.806 48 E CB -0.424 29.325 29.700 0.080 0.000 0.750 48 E HN 0.464 nan 8.360 nan 0.000 0.458 49 F N 0.775 120.727 119.950 0.003 0.000 2.031 49 F HA -0.118 4.418 4.527 0.016 0.000 0.295 49 F C 2.124 177.879 175.800 -0.074 0.000 1.133 49 F CA 1.855 59.850 58.000 -0.008 0.000 1.188 49 F CB -1.107 37.922 39.000 0.048 0.000 0.974 49 F HN 0.067 nan 8.300 nan 0.000 0.473 50 A N 0.270 123.024 122.820 -0.111 0.000 1.896 50 A HA -0.368 3.962 4.320 0.016 0.000 0.220 50 A C 2.219 179.368 177.584 -0.725 0.000 1.206 50 A CA 2.618 54.398 52.037 -0.429 0.000 0.647 50 A CB -1.141 17.642 19.000 -0.362 0.000 0.828 50 A HN 0.469 nan 8.150 nan 0.000 0.455 51 K N -1.284 118.677 120.400 -0.732 0.000 2.160 51 K HA -0.114 4.216 4.320 0.016 0.000 0.206 51 K C 2.082 178.431 176.600 -0.418 0.000 1.047 51 K CA 1.788 57.680 56.287 -0.657 0.000 0.930 51 K CB -0.432 31.837 32.500 -0.386 0.000 0.720 51 K HN 0.545 nan 8.250 nan 0.000 0.450 52 T N -0.381 113.953 114.554 -0.367 0.000 2.821 52 T HA -0.135 4.225 4.350 0.016 0.000 0.267 52 T C 1.830 176.334 174.700 -0.326 0.000 1.046 52 T CA 1.341 63.266 62.100 -0.293 0.000 1.139 52 T CB -0.242 68.474 68.868 -0.254 0.000 0.871 52 T HN 0.342 nan 8.240 nan 0.000 0.454 53 c N 0.724 119.052 118.600 -0.453 0.000 2.466 53 c HA 0.069 4.649 4.570 0.016 0.000 0.278 53 c C 2.757 176.698 174.090 -0.249 0.000 1.288 53 c CA -0.126 55.990 56.329 -0.354 0.000 1.722 53 c CB -1.106 41.160 42.510 -0.406 0.000 2.017 53 c HN 0.335 nan 8.230 nan 0.000 0.488 54 V N 1.627 121.363 119.914 -0.297 0.000 2.469 54 V HA -0.226 3.903 4.120 0.016 0.000 0.251 54 V C 2.626 178.631 176.094 -0.149 0.000 1.064 54 V CA 2.235 64.408 62.300 -0.212 0.000 1.066 54 V CB -1.103 30.550 31.823 -0.284 0.000 0.667 54 V HN 0.631 nan 8.190 nan 0.000 0.461 55 A N -1.271 121.450 122.820 -0.165 0.000 1.935 55 A HA -0.046 4.284 4.320 0.016 0.000 0.214 55 A C 1.279 178.808 177.584 -0.091 0.000 1.178 55 A CA 1.239 53.208 52.037 -0.114 0.000 0.640 55 A CB 0.049 18.980 19.000 -0.115 0.000 0.825 55 A HN 0.497 nan 8.150 nan 0.000 0.447 56 D N -1.063 119.273 120.400 -0.106 0.000 2.323 56 D HA 0.262 4.912 4.640 0.016 0.000 0.242 56 D C -0.026 176.221 176.300 -0.089 0.000 1.347 56 D CA -0.209 53.743 54.000 -0.080 0.000 0.988 56 D CB 0.752 41.512 40.800 -0.067 0.000 1.314 56 D HN 0.268 nan 8.370 nan 0.000 0.564 57 E N 0.336 120.493 120.200 -0.072 0.000 2.273 57 E HA -0.132 4.228 4.350 0.016 0.000 0.198 57 E C 1.416 177.987 176.600 -0.048 0.000 1.002 57 E CA 1.121 57.483 56.400 -0.064 0.000 0.828 57 E CB 0.259 29.933 29.700 -0.042 0.000 0.747 57 E HN 0.219 nan 8.360 nan 0.000 0.491 58 S N 0.363 116.039 115.700 -0.039 0.000 2.496 58 S HA 0.136 4.615 4.470 0.016 0.000 0.224 58 S C 0.830 175.420 174.600 -0.016 0.000 0.996 58 S CA 0.121 58.309 58.200 -0.021 0.000 0.927 58 S CB 0.160 63.351 63.200 -0.015 0.000 0.774 58 S HN 0.360 nan 8.310 nan 0.000 0.524 59 A N 2.230 125.027 122.820 -0.038 0.000 2.584 59 A HA 0.109 4.438 4.320 0.016 0.000 0.239 59 A C 0.423 178.018 177.584 0.017 0.000 1.043 59 A CA -0.106 51.916 52.037 -0.027 0.000 0.756 59 A CB -0.177 18.778 19.000 -0.075 0.000 0.963 59 A HN 0.351 nan 8.150 nan 0.000 0.511 60 E N 2.521 122.752 120.200 0.052 0.000 2.760 60 E HA -0.133 4.227 4.350 0.016 0.000 0.268 60 E C 0.932 177.636 176.600 0.174 0.000 0.935 60 E CA 1.751 58.206 56.400 0.091 0.000 0.960 60 E CB -0.063 29.688 29.700 0.085 0.000 0.931 60 E HN 0.721 nan 8.360 nan 0.000 0.483 61 N N 1.515 120.313 118.700 0.164 0.000 2.951 61 N HA -0.299 4.450 4.740 0.016 0.000 0.218 61 N C 0.906 176.606 175.510 0.316 0.000 0.858 61 N CA 1.401 54.593 53.050 0.236 0.000 1.050 61 N CB -1.861 36.786 38.487 0.267 0.000 1.012 61 N HN 0.545 nan 8.380 nan 0.000 0.611 62 c N 1.396 120.126 118.600 0.217 0.000 2.409 62 c HA -0.142 4.437 4.570 0.016 0.000 0.288 62 c C 2.138 176.286 174.090 0.097 0.000 1.395 62 c CA 1.325 57.705 56.329 0.084 0.000 1.792 62 c CB -1.453 41.002 42.510 -0.092 0.000 1.847 62 c HN 0.662 nan 8.230 nan 0.000 0.534 63 D N 0.174 120.634 120.400 0.100 0.000 2.323 63 D HA -0.043 4.607 4.640 0.016 0.000 0.209 63 D C 0.706 177.067 176.300 0.100 0.000 0.973 63 D CA 0.398 54.446 54.000 0.080 0.000 0.874 63 D CB -0.160 40.676 40.800 0.059 0.000 0.930 63 D HN 0.330 nan 8.370 nan 0.000 0.521 64 K N 1.123 121.603 120.400 0.133 0.000 2.380 64 K HA 0.112 4.441 4.320 0.016 0.000 0.267 64 K C 0.513 177.199 176.600 0.144 0.000 0.990 64 K CA -0.147 56.218 56.287 0.131 0.000 0.946 64 K CB 0.943 33.527 32.500 0.139 0.000 0.937 64 K HN 0.216 nan 8.250 nan 0.000 0.491 65 S N 1.996 117.777 115.700 0.134 0.000 2.592 65 S HA 0.088 4.567 4.470 0.016 0.000 0.271 65 S C 1.485 176.185 174.600 0.167 0.000 1.326 65 S CA -0.677 57.613 58.200 0.149 0.000 1.024 65 S CB 0.486 63.777 63.200 0.151 0.000 0.921 65 S HN 0.577 nan 8.310 nan 0.000 0.527 66 L N 1.499 122.813 121.223 0.152 0.000 2.042 66 L HA -0.134 4.216 4.340 0.016 0.000 0.210 66 L C 2.483 179.408 176.870 0.091 0.000 1.076 66 L CA 1.837 56.743 54.840 0.110 0.000 0.749 66 L CB -0.876 41.201 42.059 0.030 0.000 0.893 66 L HN 0.854 nan 8.230 nan 0.000 0.432 67 H N -1.095 118.036 119.070 0.101 0.000 2.422 67 H HA -0.145 4.420 4.556 0.016 0.000 0.298 67 H C 2.256 177.682 175.328 0.163 0.000 1.098 67 H CA 1.929 58.050 56.048 0.122 0.000 1.315 67 H CB 0.037 29.857 29.762 0.096 0.000 1.382 67 H HN 0.271 nan 8.280 nan 0.000 0.523 68 T N 0.088 114.789 114.554 0.246 0.000 2.770 68 T HA -0.051 4.308 4.350 0.016 0.000 0.258 68 T C 2.190 176.972 174.700 0.137 0.000 1.039 68 T CA 0.796 63.000 62.100 0.173 0.000 1.143 68 T CB -0.284 68.662 68.868 0.131 0.000 0.866 68 T HN 0.169 nan 8.240 nan 0.000 0.428 69 L N 0.134 121.440 121.223 0.137 0.000 2.013 69 L HA -0.106 4.243 4.340 0.016 0.000 0.212 69 L C 2.296 179.223 176.870 0.094 0.000 1.073 69 L CA 1.487 56.384 54.840 0.094 0.000 0.753 69 L CB -0.601 41.544 42.059 0.143 0.000 0.890 69 L HN 0.182 nan 8.230 nan 0.000 0.432 70 F N 0.995 120.922 119.950 -0.039 0.000 2.011 70 F HA -0.199 4.337 4.527 0.016 0.000 0.296 70 F C 2.349 178.058 175.800 -0.151 0.000 1.144 70 F CA 1.792 59.700 58.000 -0.153 0.000 1.185 70 F CB -1.099 37.730 39.000 -0.285 0.000 0.961 70 F HN 0.018 nan 8.300 nan 0.000 0.485 71 G N -0.220 108.533 108.800 -0.079 0.000 2.547 71 G HA2 -0.369 3.601 3.960 0.016 0.000 0.221 71 G HA3 -0.369 3.601 3.960 0.016 0.000 0.221 71 G C 1.374 176.218 174.900 -0.093 0.000 1.140 71 G CA 1.359 46.416 45.100 -0.071 0.000 0.760 71 G HN 0.421 nan 8.290 nan 0.000 0.583 72 D N 0.272 120.647 120.400 -0.042 0.000 2.092 72 D HA -0.065 4.585 4.640 0.016 0.000 0.193 72 D C 2.483 178.727 176.300 -0.093 0.000 0.994 72 D CA 0.821 54.796 54.000 -0.042 0.000 0.828 72 D CB -0.116 40.663 40.800 -0.035 0.000 0.963 72 D HN 0.128 nan 8.370 nan 0.000 0.450 73 K N 0.093 120.418 120.400 -0.125 0.000 2.057 73 K HA -0.092 4.238 4.320 0.016 0.000 0.207 73 K C 2.180 178.699 176.600 -0.135 0.000 1.049 73 K CA 0.287 56.513 56.287 -0.101 0.000 0.931 73 K CB -0.558 31.952 32.500 0.016 0.000 0.714 73 K HN 0.115 nan 8.250 nan 0.000 0.440 74 L N 0.867 121.905 121.223 -0.309 0.000 2.043 74 L HA -0.237 4.113 4.340 0.016 0.000 0.212 74 L C 2.191 178.932 176.870 -0.214 0.000 1.075 74 L CA 1.537 56.134 54.840 -0.406 0.000 0.752 74 L CB -0.664 40.817 42.059 -0.963 0.000 0.891 74 L HN 0.154 nan 8.230 nan 0.000 0.432 75 c N -1.307 117.220 118.600 -0.122 0.000 2.546 75 c HA 0.004 4.584 4.570 0.016 0.000 0.275 75 c C 2.361 176.439 174.090 -0.021 0.000 1.393 75 c CA 0.704 57.026 56.329 -0.012 0.000 1.703 75 c CB -1.742 40.798 42.510 0.050 0.000 1.710 75 c HN 0.515 nan 8.230 nan 0.000 0.581 76 T N 0.076 114.599 114.554 -0.050 0.000 3.035 76 T HA 0.019 4.379 4.350 0.016 0.000 0.259 76 T C 0.874 175.557 174.700 -0.028 0.000 1.078 76 T CA 0.511 62.585 62.100 -0.044 0.000 1.132 76 T CB 0.062 68.888 68.868 -0.070 0.000 0.900 76 T HN 0.228 nan 8.240 nan 0.000 0.480 77 V N 3.070 122.972 119.914 -0.021 0.000 2.441 77 V HA 0.111 4.240 4.120 0.016 0.000 0.279 77 V C 1.623 177.740 176.094 0.039 0.000 0.990 77 V CA -0.037 62.273 62.300 0.017 0.000 1.116 77 V CB -0.351 31.504 31.823 0.054 0.000 0.977 77 V HN 0.455 nan 8.190 nan 0.000 0.470 78 A N 5.054 127.888 122.820 0.024 0.000 1.877 78 A HA -0.141 4.189 4.320 0.016 0.000 0.216 78 A C 2.150 179.758 177.584 0.040 0.000 1.186 78 A CA 2.062 54.113 52.037 0.024 0.000 0.620 78 A CB -0.617 18.388 19.000 0.007 0.000 0.822 78 A HN 0.883 nan 8.150 nan 0.000 0.443 79 T N -2.015 112.568 114.554 0.047 0.000 3.284 79 T HA 0.145 4.504 4.350 0.016 0.000 0.252 79 T C 1.320 176.081 174.700 0.102 0.000 1.144 79 T CA 0.696 62.822 62.100 0.043 0.000 1.021 79 T CB -0.270 68.606 68.868 0.014 0.000 0.984 79 T HN 0.109 nan 8.240 nan 0.000 0.545 80 L N 1.534 122.856 121.223 0.164 0.000 1.989 80 L HA 0.064 4.414 4.340 0.016 0.000 0.211 80 L C 2.820 179.830 176.870 0.233 0.000 1.071 80 L CA 1.756 56.775 54.840 0.299 0.000 0.749 80 L CB -0.659 41.503 42.059 0.172 0.000 0.890 80 L HN 0.250 nan 8.230 nan 0.000 0.431 81 R N -0.452 120.119 120.500 0.117 0.000 2.083 81 R HA -0.187 4.162 4.340 0.016 0.000 0.237 81 R C 2.269 178.595 176.300 0.043 0.000 1.137 81 R CA 2.113 58.257 56.100 0.073 0.000 0.951 81 R CB -0.506 29.819 30.300 0.042 0.000 0.851 81 R HN 0.492 nan 8.270 nan 0.000 0.434 82 E N -0.460 119.751 120.200 0.017 0.000 2.047 82 E HA -0.129 4.231 4.350 0.016 0.000 0.191 82 E C 1.982 178.539 176.600 -0.072 0.000 0.987 82 E CA 1.782 58.169 56.400 -0.021 0.000 0.799 82 E CB -1.272 28.412 29.700 -0.027 0.000 0.752 82 E HN 0.624 nan 8.360 nan 0.000 0.449 83 T N -0.205 114.265 114.554 -0.140 0.000 2.698 83 T HA -0.046 4.313 4.350 0.016 0.000 0.260 83 T C 1.826 176.265 174.700 -0.436 0.000 1.044 83 T CA 1.551 63.419 62.100 -0.386 0.000 1.149 83 T CB -0.384 68.034 68.868 -0.750 0.000 0.864 83 T HN 0.614 nan 8.240 nan 0.000 0.419 84 Y N 0.770 121.088 120.300 0.029 0.000 2.497 84 Y HA 0.407 4.967 4.550 0.016 0.000 0.265 84 Y C 2.129 178.036 175.900 0.012 0.000 1.111 84 Y CA -0.300 57.820 58.100 0.034 0.000 1.288 84 Y CB -0.620 37.875 38.460 0.057 0.000 1.082 84 Y HN 0.387 nan 8.280 nan 0.000 0.536 85 G N 1.190 110.065 108.800 0.124 0.000 2.686 85 G HA2 -0.529 3.441 3.960 0.016 0.000 0.329 85 G HA3 -0.529 3.441 3.960 0.016 0.000 0.329 85 G C 1.282 176.193 174.900 0.018 0.000 1.187 85 G CA 1.045 46.179 45.100 0.057 0.000 0.965 85 G HN 0.379 nan 8.290 nan 0.000 0.549 86 E N -0.005 120.179 120.200 -0.026 0.000 2.197 86 E HA -0.291 4.068 4.350 0.016 0.000 0.205 86 E C 2.530 178.943 176.600 -0.311 0.000 1.029 86 E CA 1.981 58.303 56.400 -0.131 0.000 0.828 86 E CB -0.204 29.428 29.700 -0.112 0.000 0.737 86 E HN 0.579 nan 8.360 nan 0.000 0.464 87 M N -0.285 119.168 119.600 -0.244 0.000 2.213 87 M HA -0.134 4.356 4.480 0.016 0.000 0.263 87 M C 2.082 178.383 176.300 0.001 0.000 1.062 87 M CA 1.593 56.775 55.300 -0.197 0.000 1.105 87 M CB -0.006 32.642 32.600 0.080 0.000 1.385 87 M HN 0.134 nan 8.290 nan 0.000 0.417 88 A N 0.347 123.190 122.820 0.037 0.000 2.019 88 A HA -0.176 4.153 4.320 0.016 0.000 0.219 88 A C 1.529 179.128 177.584 0.024 0.000 1.164 88 A CA 1.860 53.941 52.037 0.073 0.000 0.644 88 A CB -0.789 18.254 19.000 0.071 0.000 0.805 88 A HN 0.566 nan 8.150 nan 0.000 0.449 89 D N -0.324 120.056 120.400 -0.034 0.000 2.221 89 D HA -0.133 4.517 4.640 0.016 0.000 0.204 89 D C 1.855 178.122 176.300 -0.055 0.000 0.982 89 D CA 1.194 55.169 54.000 -0.041 0.000 0.857 89 D CB -0.573 40.195 40.800 -0.054 0.000 0.934 89 D HN 0.491 nan 8.370 nan 0.000 0.475 90 c N 0.229 118.772 118.600 -0.094 0.000 2.411 90 c HA -0.153 4.427 4.570 0.016 0.000 0.279 90 c C 2.795 176.766 174.090 -0.198 0.000 1.288 90 c CA 0.091 56.284 56.329 -0.227 0.000 1.764 90 c CB -1.086 41.094 42.510 -0.550 0.000 1.974 90 c HN 0.439 nan 8.230 nan 0.000 0.498 91 c N 1.058 119.628 118.600 -0.049 0.000 2.466 91 c HA 0.079 4.659 4.570 0.016 0.000 0.283 91 c C 2.676 176.761 174.090 -0.008 0.000 1.472 91 c CA 0.926 57.265 56.329 0.017 0.000 1.765 91 c CB -1.878 40.679 42.510 0.078 0.000 1.724 91 c HN 0.727 nan 8.230 nan 0.000 0.560 92 A N 0.162 122.966 122.820 -0.028 0.000 2.195 92 A HA 0.094 4.423 4.320 0.016 0.000 0.210 92 A C 0.852 178.420 177.584 -0.027 0.000 1.165 92 A CA 0.250 52.276 52.037 -0.019 0.000 0.806 92 A CB -0.016 18.975 19.000 -0.015 0.000 0.847 92 A HN 0.681 nan 8.150 nan 0.000 0.482 93 K N 0.502 120.872 120.400 -0.050 0.000 2.098 93 K HA 0.463 4.792 4.320 0.016 0.000 0.258 93 K C -0.729 175.845 176.600 -0.042 0.000 0.973 93 K CA -0.562 55.695 56.287 -0.049 0.000 0.898 93 K CB 1.059 33.517 32.500 -0.070 0.000 1.057 93 K HN 0.198 nan 8.250 nan 0.000 0.447 94 Q N 1.656 121.441 119.800 -0.026 0.000 2.257 94 Q HA 0.000 4.350 4.340 0.016 0.000 0.255 94 Q C 0.323 176.317 176.000 -0.010 0.000 0.920 94 Q CA -0.243 55.554 55.803 -0.010 0.000 0.927 94 Q CB 1.556 30.293 28.738 -0.001 0.000 1.229 94 Q HN 0.613 nan 8.270 nan 0.000 0.433 95 E N 2.404 122.610 120.200 0.009 0.000 2.884 95 E HA -0.310 4.050 4.350 0.016 0.000 0.222 95 E C -1.002 175.599 176.600 0.002 0.000 0.949 95 E CA 2.806 59.222 56.400 0.026 0.000 1.651 95 E CB -1.677 28.051 29.700 0.046 0.000 1.584 95 E HN 0.631 nan 8.360 nan 0.000 0.443 96 P HA -0.173 nan 4.420 nan 0.000 0.215 96 P C 1.168 178.450 177.300 -0.029 0.000 1.163 96 P CA 2.361 65.445 63.100 -0.027 0.000 0.894 96 P CB -0.130 31.555 31.700 -0.024 0.000 0.791 97 E N -0.812 119.367 120.200 -0.034 0.000 2.051 97 E HA -0.078 4.282 4.350 0.016 0.000 0.189 97 E C 2.364 178.910 176.600 -0.090 0.000 0.979 97 E CA 0.582 56.954 56.400 -0.047 0.000 0.803 97 E CB -0.620 29.053 29.700 -0.045 0.000 0.761 97 E HN 0.081 nan 8.360 nan 0.000 0.451 98 R N 0.772 121.197 120.500 -0.125 0.000 2.143 98 R HA -0.297 4.053 4.340 0.016 0.000 0.239 98 R C 2.179 178.271 176.300 -0.348 0.000 1.126 98 R CA 2.250 58.178 56.100 -0.287 0.000 0.927 98 R CB -0.459 29.732 30.300 -0.182 0.000 0.860 98 R HN 0.120 nan 8.270 nan 0.000 0.433 99 N N -0.110 118.580 118.700 -0.018 0.000 2.061 99 N HA -0.233 4.516 4.740 0.016 0.000 0.193 99 N C 1.655 177.276 175.510 0.185 0.000 1.030 99 N CA 1.881 55.073 53.050 0.237 0.000 0.856 99 N CB -0.172 38.482 38.487 0.277 0.000 1.023 99 N HN 0.213 nan 8.380 nan 0.000 0.424 100 E N -0.109 120.138 120.200 0.078 0.000 2.160 100 E HA -0.138 4.222 4.350 0.016 0.000 0.195 100 E C 1.948 178.580 176.600 0.053 0.000 0.991 100 E CA 0.677 57.133 56.400 0.093 0.000 0.810 100 E CB -0.812 28.917 29.700 0.048 0.000 0.742 100 E HN 0.498 nan 8.360 nan 0.000 0.466 101 c N -0.442 118.128 118.600 -0.049 0.000 2.446 101 c HA -0.031 4.549 4.570 0.016 0.000 0.279 101 c C 2.216 176.353 174.090 0.079 0.000 1.366 101 c CA 0.301 56.595 56.329 -0.059 0.000 1.763 101 c CB -1.413 40.984 42.510 -0.188 0.000 1.929 101 c HN 0.376 nan 8.230 nan 0.000 0.509 102 F N 0.250 120.330 119.950 0.216 0.000 2.149 102 F HA 0.086 4.622 4.527 0.016 0.000 0.294 102 F C 2.062 178.036 175.800 0.289 0.000 1.095 102 F CA 0.854 59.029 58.000 0.291 0.000 1.276 102 F CB -1.335 37.848 39.000 0.305 0.000 1.023 102 F HN 0.034 nan 8.300 nan 0.000 0.480 103 L N 0.261 121.747 121.223 0.438 0.000 2.129 103 L HA -0.250 4.100 4.340 0.016 0.000 0.212 103 L C 2.362 179.263 176.870 0.052 0.000 1.087 103 L CA 1.618 56.582 54.840 0.206 0.000 0.757 103 L CB -1.282 40.858 42.059 0.135 0.000 0.896 103 L HN 0.246 nan 8.230 nan 0.000 0.434 104 Q N -1.242 118.570 119.800 0.019 0.000 1.967 104 Q HA -0.171 4.179 4.340 0.016 0.000 0.202 104 Q C 1.461 177.351 176.000 -0.184 0.000 0.985 104 Q CA 1.456 57.166 55.803 -0.156 0.000 0.839 104 Q CB -0.063 28.489 28.738 -0.311 0.000 0.906 104 Q HN 0.580 nan 8.270 nan 0.000 0.423 105 H N 0.171 119.302 119.070 0.102 0.000 2.612 105 H HA 0.116 4.682 4.556 0.016 0.000 0.285 105 H C -0.178 175.210 175.328 0.100 0.000 1.066 105 H CA 0.343 56.455 56.048 0.106 0.000 1.180 105 H CB -0.102 29.744 29.762 0.139 0.000 1.312 105 H HN 0.057 nan 8.280 nan 0.000 0.606 106 K N 2.074 122.545 120.400 0.119 0.000 2.316 106 K HA 0.015 4.345 4.320 0.016 0.000 0.289 106 K C -0.623 175.988 176.600 0.018 0.000 1.070 106 K CA -0.459 55.850 56.287 0.037 0.000 0.928 106 K CB 0.484 32.934 32.500 -0.082 0.000 1.039 106 K HN 0.072 nan 8.250 nan 0.000 0.480 107 D N 3.141 123.566 120.400 0.041 0.000 2.371 107 D HA 0.037 4.686 4.640 0.016 0.000 0.256 107 D C 1.135 177.431 176.300 -0.006 0.000 1.193 107 D CA 0.538 54.555 54.000 0.029 0.000 0.881 107 D CB 1.228 42.058 40.800 0.050 0.000 1.143 107 D HN 0.664 nan 8.370 nan 0.000 0.473 108 D N 2.757 123.150 120.400 -0.011 0.000 2.084 108 D HA -0.086 4.564 4.640 0.016 0.000 0.196 108 D C 0.910 177.195 176.300 -0.024 0.000 0.985 108 D CA 1.384 55.376 54.000 -0.015 0.000 0.826 108 D CB -0.714 40.082 40.800 -0.007 0.000 0.978 108 D HN 0.569 nan 8.370 nan 0.000 0.456 109 N N 1.345 120.030 118.700 -0.025 0.000 2.746 109 N HA 0.548 5.298 4.740 0.016 0.000 0.250 109 N C -2.861 172.624 175.510 -0.041 0.000 1.146 109 N CA -1.042 51.979 53.050 -0.048 0.000 0.828 109 N CB 1.177 39.644 38.487 -0.033 0.000 1.158 109 N HN 0.346 nan 8.380 nan 0.000 0.519 110 P HA 0.227 nan 4.420 nan 0.000 0.275 110 P C -0.744 176.532 177.300 -0.040 0.000 1.227 110 P CA -0.202 62.880 63.100 -0.029 0.000 0.781 110 P CB 0.827 32.515 31.700 -0.019 0.000 0.906 111 N N 1.757 120.443 118.700 -0.023 0.000 2.549 111 N HA 0.221 4.971 4.740 0.016 0.000 0.267 111 N C -0.453 175.040 175.510 -0.029 0.000 1.182 111 N CA 0.025 53.060 53.050 -0.025 0.000 1.019 111 N CB -0.482 37.996 38.487 -0.015 0.000 1.380 111 N HN 0.313 nan 8.380 nan 0.000 0.505 112 L N 2.038 123.235 121.223 -0.043 0.000 2.303 112 L HA 0.642 4.992 4.340 0.016 0.000 0.266 112 L C -1.904 174.940 176.870 -0.043 0.000 1.011 112 L CA -2.027 52.785 54.840 -0.046 0.000 0.818 112 L CB 1.129 43.147 42.059 -0.068 0.000 1.326 112 L HN 0.283 nan 8.230 nan 0.000 0.435 113 P HA 0.303 nan 4.420 nan 0.000 0.276 113 P C -0.453 176.829 177.300 -0.031 0.000 1.230 113 P CA -0.474 62.609 63.100 -0.028 0.000 0.776 113 P CB 0.488 32.174 31.700 -0.022 0.000 0.888 114 R N 2.313 122.801 120.500 -0.020 0.000 2.523 114 R HA -0.019 4.331 4.340 0.016 0.000 0.281 114 R C 0.040 176.337 176.300 -0.006 0.000 0.969 114 R CA -0.070 56.023 56.100 -0.013 0.000 1.093 114 R CB -1.253 29.046 30.300 -0.002 0.000 0.917 114 R HN 0.555 nan 8.270 nan 0.000 0.408 115 L N 3.861 125.083 121.223 -0.002 0.000 2.418 115 L HA 0.301 4.651 4.340 0.016 0.000 0.274 115 L C 0.432 177.330 176.870 0.047 0.000 1.135 115 L CA 0.039 54.889 54.840 0.017 0.000 0.870 115 L CB 1.340 43.414 42.059 0.026 0.000 1.154 115 L HN 0.658 nan 8.230 nan 0.000 0.462 116 V N 3.330 123.279 119.914 0.058 0.000 2.567 116 V HA 0.530 4.659 4.120 0.016 0.000 0.289 116 V C 0.267 176.424 176.094 0.105 0.000 1.049 116 V CA -0.968 61.372 62.300 0.067 0.000 0.969 116 V CB 1.239 33.093 31.823 0.053 0.000 0.995 116 V HN 0.810 nan 8.190 nan 0.000 0.471 117 R N 5.591 126.145 120.500 0.089 0.000 2.210 117 R HA 0.419 4.768 4.340 0.016 0.000 0.338 117 R C -2.007 174.352 176.300 0.097 0.000 1.062 117 R CA -1.370 54.788 56.100 0.097 0.000 0.902 117 R CB 0.793 31.137 30.300 0.073 0.000 1.050 117 R HN 0.825 nan 8.270 nan 0.000 0.461 118 P HA 0.022 nan 4.420 nan 0.000 0.274 118 P C -0.816 176.539 177.300 0.093 0.000 1.264 118 P CA -0.211 62.958 63.100 0.114 0.000 0.795 118 P CB 0.531 32.323 31.700 0.154 0.000 1.064 119 E N -0.098 120.148 120.200 0.077 0.000 2.344 119 E HA 0.020 4.379 4.350 0.016 0.000 0.270 119 E C 1.511 178.152 176.600 0.069 0.000 1.021 119 E CA -0.169 56.268 56.400 0.061 0.000 0.887 119 E CB 0.803 30.531 29.700 0.046 0.000 0.997 119 E HN 0.092 nan 8.360 nan 0.000 0.429 120 V N 3.946 123.899 119.914 0.065 0.000 2.277 120 V HA -0.360 3.770 4.120 0.016 0.000 0.255 120 V C 1.441 177.575 176.094 0.066 0.000 1.074 120 V CA 2.482 64.826 62.300 0.074 0.000 1.058 120 V CB -0.426 31.424 31.823 0.045 0.000 0.656 120 V HN 0.655 nan 8.190 nan 0.000 0.449 121 D N -0.465 119.960 120.400 0.043 0.000 2.117 121 D HA -0.142 4.507 4.640 0.016 0.000 0.197 121 D C 2.065 178.378 176.300 0.022 0.000 0.987 121 D CA 1.620 55.637 54.000 0.028 0.000 0.829 121 D CB -0.190 40.621 40.800 0.018 0.000 0.961 121 D HN 0.509 nan 8.370 nan 0.000 0.460 122 V N -1.527 118.406 119.914 0.031 0.000 2.453 122 V HA -0.174 3.956 4.120 0.016 0.000 0.247 122 V C 2.024 178.124 176.094 0.009 0.000 1.048 122 V CA 1.067 63.384 62.300 0.028 0.000 1.049 122 V CB -0.543 31.310 31.823 0.050 0.000 0.672 122 V HN 0.140 nan 8.190 nan 0.000 0.457 123 M N -0.166 119.451 119.600 0.027 0.000 2.059 123 M HA -0.170 4.320 4.480 0.016 0.000 0.259 123 M C 2.410 178.575 176.300 -0.225 0.000 1.072 123 M CA 2.811 58.084 55.300 -0.045 0.000 1.117 123 M CB -0.496 32.184 32.600 0.134 0.000 1.320 123 M HN 0.538 nan 8.290 nan 0.000 0.408 124 c N -0.044 118.540 118.600 -0.027 0.000 2.403 124 c HA -0.171 4.409 4.570 0.016 0.000 0.277 124 c C 2.727 176.831 174.090 0.024 0.000 1.248 124 c CA 1.630 57.989 56.329 0.050 0.000 1.762 124 c CB -1.216 41.354 42.510 0.100 0.000 2.014 124 c HN 0.620 nan 8.230 nan 0.000 0.486 125 T N 0.699 115.237 114.554 -0.027 0.000 2.821 125 T HA -0.063 4.297 4.350 0.016 0.000 0.267 125 T C 2.089 176.756 174.700 -0.054 0.000 1.046 125 T CA 1.455 63.537 62.100 -0.031 0.000 1.139 125 T CB -0.344 68.505 68.868 -0.032 0.000 0.871 125 T HN 0.642 nan 8.240 nan 0.000 0.454 126 A N 1.128 123.861 122.820 -0.145 0.000 1.930 126 A HA 0.011 4.340 4.320 0.016 0.000 0.217 126 A C 1.940 179.305 177.584 -0.365 0.000 1.175 126 A CA 1.058 52.982 52.037 -0.188 0.000 0.627 126 A CB -0.921 17.995 19.000 -0.139 0.000 0.815 126 A HN 0.491 nan 8.150 nan 0.000 0.443 127 F N -0.054 119.399 119.950 -0.828 0.000 2.451 127 F HA -0.086 4.451 4.527 0.016 0.000 0.299 127 F C 1.848 177.505 175.800 -0.239 0.000 1.101 127 F CA 1.720 59.263 58.000 -0.761 0.000 1.436 127 F CB -0.389 38.137 39.000 -0.790 0.000 1.074 127 F HN 0.511 nan 8.300 nan 0.000 0.553 128 H N -0.364 118.521 119.070 -0.309 0.000 2.300 128 H HA 0.007 4.572 4.556 0.016 0.000 0.312 128 H C 1.798 176.998 175.328 -0.214 0.000 1.057 128 H CA 2.060 57.940 56.048 -0.281 0.000 1.380 128 H CB -0.370 29.316 29.762 -0.127 0.000 1.424 128 H HN 0.204 nan 8.280 nan 0.000 0.534 129 D N -0.346 120.074 120.400 0.033 0.000 2.158 129 D HA -0.160 4.490 4.640 0.016 0.000 0.197 129 D C 0.241 176.499 176.300 -0.069 0.000 0.995 129 D CA 1.321 55.321 54.000 0.000 0.000 0.846 129 D CB 0.115 40.935 40.800 0.034 0.000 0.941 129 D HN 0.170 nan 8.370 nan 0.000 0.456 130 N N -0.392 118.262 118.700 -0.076 0.000 2.751 130 N HA -0.023 4.727 4.740 0.016 0.000 0.234 130 N C 0.039 175.539 175.510 -0.016 0.000 1.403 130 N CA -0.116 52.911 53.050 -0.039 0.000 0.747 130 N CB 0.531 39.034 38.487 0.028 0.000 1.326 130 N HN 0.200 nan 8.380 nan 0.000 0.532 131 E N 0.616 120.727 120.200 -0.149 0.000 2.153 131 E HA -0.177 4.182 4.350 0.016 0.000 0.194 131 E C 0.764 177.442 176.600 0.131 0.000 0.988 131 E CA 1.028 57.358 56.400 -0.116 0.000 0.811 131 E CB 0.221 29.606 29.700 -0.525 0.000 0.746 131 E HN 0.514 nan 8.360 nan 0.000 0.466 132 E N 0.320 120.568 120.200 0.080 0.000 2.006 132 E HA -0.171 4.189 4.350 0.016 0.000 0.192 132 E C 2.328 179.031 176.600 0.171 0.000 0.993 132 E CA 2.133 58.608 56.400 0.126 0.000 0.808 132 E CB -0.253 29.501 29.700 0.089 0.000 0.764 132 E HN 0.490 nan 8.360 nan 0.000 0.449 133 T N -0.579 114.073 114.554 0.162 0.000 2.822 133 T HA -0.210 4.150 4.350 0.016 0.000 0.270 133 T C 1.821 176.593 174.700 0.121 0.000 1.064 133 T CA 1.321 63.533 62.100 0.185 0.000 1.131 133 T CB -0.580 68.386 68.868 0.164 0.000 0.858 133 T HN 0.199 nan 8.240 nan 0.000 0.483 134 F N 1.781 121.755 119.950 0.040 0.000 2.075 134 F HA 0.144 4.681 4.527 0.016 0.000 0.297 134 F C 1.936 177.806 175.800 0.116 0.000 1.113 134 F CA 1.074 59.106 58.000 0.053 0.000 1.218 134 F CB -0.485 38.545 39.000 0.051 0.000 0.984 134 F HN 0.128 nan 8.300 nan 0.000 0.472 135 L N 0.090 121.330 121.223 0.029 0.000 2.072 135 L HA -0.161 4.188 4.340 0.016 0.000 0.205 135 L C 2.465 179.355 176.870 0.034 0.000 1.079 135 L CA 0.929 55.750 54.840 -0.032 0.000 0.752 135 L CB -0.664 41.498 42.059 0.171 0.000 0.906 135 L HN -0.057 nan 8.230 nan 0.000 0.436 136 K N 0.261 120.737 120.400 0.127 0.000 2.147 136 K HA -0.164 4.165 4.320 0.016 0.000 0.205 136 K C 2.039 178.808 176.600 0.281 0.000 1.049 136 K CA 1.199 57.645 56.287 0.264 0.000 0.936 136 K CB -0.217 32.520 32.500 0.396 0.000 0.722 136 K HN 0.246 nan 8.250 nan 0.000 0.446 137 K N -0.518 119.773 120.400 -0.182 0.000 2.062 137 K HA -0.089 4.241 4.320 0.016 0.000 0.205 137 K C 2.051 178.482 176.600 -0.282 0.000 1.051 137 K CA 1.093 56.971 56.287 -0.682 0.000 0.941 137 K CB -0.039 31.861 32.500 -1.000 0.000 0.719 137 K HN 0.094 nan 8.250 nan 0.000 0.440 138 Y N 0.320 120.449 120.300 -0.286 0.000 2.457 138 Y HA -0.139 4.420 4.550 0.016 0.000 0.292 138 Y C 1.924 177.755 175.900 -0.116 0.000 1.125 138 Y CA 0.399 58.346 58.100 -0.256 0.000 1.254 138 Y CB 0.087 38.275 38.460 -0.453 0.000 1.012 138 Y HN 0.019 nan 8.280 nan 0.000 0.555 139 L N -0.889 120.400 121.223 0.110 0.000 2.027 139 L HA -0.216 4.133 4.340 0.016 0.000 0.206 139 L C 2.325 179.303 176.870 0.180 0.000 1.074 139 L CA 1.732 56.659 54.840 0.145 0.000 0.745 139 L CB -1.061 41.108 42.059 0.183 0.000 0.898 139 L HN 0.371 nan 8.230 nan 0.000 0.433 140 Y N 0.049 120.436 120.300 0.145 0.000 2.224 140 Y HA -0.217 4.343 4.550 0.016 0.000 0.289 140 Y C 2.250 178.216 175.900 0.110 0.000 1.146 140 Y CA 1.872 60.096 58.100 0.207 0.000 1.182 140 Y CB -0.146 38.579 38.460 0.442 0.000 0.983 140 Y HN 0.267 nan 8.280 nan 0.000 0.524 141 E N 0.460 120.549 120.200 -0.185 0.000 2.047 141 E HA -0.152 4.207 4.350 0.016 0.000 0.191 141 E C 2.204 178.685 176.600 -0.198 0.000 0.987 141 E CA 1.326 57.533 56.400 -0.321 0.000 0.799 141 E CB -0.292 29.260 29.700 -0.248 0.000 0.752 141 E HN 0.492 nan 8.360 nan 0.000 0.449 142 I N 1.301 121.832 120.570 -0.065 0.000 2.252 142 I HA -0.149 4.031 4.170 0.016 0.000 0.245 142 I C 2.418 178.568 176.117 0.055 0.000 1.102 142 I CA 0.825 62.138 61.300 0.021 0.000 1.385 142 I CB -1.770 36.249 38.000 0.032 0.000 1.064 142 I HN -0.079 nan 8.210 nan 0.000 0.414 143 A N 2.245 125.083 122.820 0.029 0.000 1.851 143 A HA -0.231 4.098 4.320 0.016 0.000 0.216 143 A C 2.439 180.021 177.584 -0.004 0.000 1.195 143 A CA 2.163 54.236 52.037 0.060 0.000 0.622 143 A CB -0.783 18.268 19.000 0.086 0.000 0.831 143 A HN 0.531 nan 8.150 nan 0.000 0.444 144 R N -0.646 119.787 120.500 -0.112 0.000 2.241 144 R HA -0.055 4.295 4.340 0.016 0.000 0.224 144 R C 1.699 177.914 176.300 -0.142 0.000 1.101 144 R CA 1.606 57.635 56.100 -0.119 0.000 0.995 144 R CB -0.326 29.846 30.300 -0.213 0.000 0.870 144 R HN 0.450 nan 8.270 nan 0.000 0.463 145 R N -0.338 120.040 120.500 -0.203 0.000 2.280 145 R HA 0.096 4.445 4.340 0.016 0.000 0.195 145 R C -0.185 175.733 176.300 -0.637 0.000 0.935 145 R CA 0.587 56.456 56.100 -0.386 0.000 1.033 145 R CB 0.337 30.378 30.300 -0.432 0.000 0.964 145 R HN 0.414 nan 8.270 nan 0.000 0.489 146 H N -0.829 118.217 119.070 -0.040 0.000 2.490 146 H HA 0.140 4.705 4.556 0.016 0.000 0.230 146 H C -2.009 173.351 175.328 0.053 0.000 1.417 146 H CA -1.564 54.483 56.048 -0.001 0.000 1.449 146 H CB 1.266 30.996 29.762 -0.053 0.000 1.649 146 H HN -0.038 nan 8.280 nan 0.000 0.519 147 P HA -0.179 nan 4.420 nan 0.000 0.226 147 P C 1.139 178.454 177.300 0.025 0.000 1.153 147 P CA 1.280 64.385 63.100 0.009 0.000 0.777 147 P CB 0.093 31.749 31.700 -0.073 0.000 0.794 148 Y N -1.531 118.827 120.300 0.096 0.000 2.466 148 Y HA 0.267 4.827 4.550 0.016 0.000 0.272 148 Y C 0.870 176.885 175.900 0.191 0.000 1.169 148 Y CA -0.961 57.197 58.100 0.096 0.000 1.285 148 Y CB -1.056 37.456 38.460 0.086 0.000 1.078 148 Y HN -0.165 nan 8.280 nan 0.000 0.523 149 F N 0.933 120.936 119.950 0.087 0.000 2.456 149 F HA 0.422 4.958 4.527 0.015 0.000 0.358 149 F C 0.160 176.047 175.800 0.146 0.000 1.095 149 F CA -1.907 56.165 58.000 0.120 0.000 1.216 149 F CB 0.130 39.194 39.000 0.107 0.000 1.125 149 F HN 0.290 nan 8.300 nan 0.000 0.549 150 Y N 6.830 126.794 120.300 -0.560 0.000 2.802 150 Y HA 0.189 4.749 4.550 0.016 0.000 0.351 150 Y C 1.140 176.902 175.900 -0.231 0.000 1.237 150 Y CA -0.121 57.757 58.100 -0.371 0.000 1.599 150 Y CB 0.061 38.284 38.460 -0.395 0.000 1.214 150 Y HN 0.792 nan 8.280 nan 0.000 0.520 151 A N 7.555 130.130 122.820 -0.409 0.000 1.882 151 A HA -0.270 4.060 4.320 0.016 0.000 0.220 151 A C -0.231 177.159 177.584 -0.324 0.000 1.253 151 A CA 2.264 54.129 52.037 -0.287 0.000 0.664 151 A CB -1.962 16.870 19.000 -0.279 0.000 0.838 151 A HN 0.692 nan 8.150 nan 0.000 0.460 152 P HA -0.176 nan 4.420 nan 0.000 0.217 152 P C 1.393 178.630 177.300 -0.105 0.000 1.148 152 P CA 1.684 64.584 63.100 -0.334 0.000 0.834 152 P CB -0.071 31.393 31.700 -0.394 0.000 0.783 153 E N -1.123 119.026 120.200 -0.085 0.000 2.158 153 E HA -0.129 4.231 4.350 0.016 0.000 0.191 153 E C 1.755 178.604 176.600 0.415 0.000 0.982 153 E CA 0.412 56.870 56.400 0.096 0.000 0.823 153 E CB -0.339 29.391 29.700 0.050 0.000 0.766 153 E HN 0.030 nan 8.360 nan 0.000 0.468 154 L N 0.996 122.474 121.223 0.425 0.000 2.056 154 L HA -0.133 4.217 4.340 0.016 0.000 0.207 154 L C 2.232 179.356 176.870 0.422 0.000 1.078 154 L CA 1.204 56.428 54.840 0.640 0.000 0.749 154 L CB -0.732 41.624 42.059 0.495 0.000 0.901 154 L HN 0.233 nan 8.230 nan 0.000 0.433 155 L N -1.246 120.119 121.223 0.237 0.000 2.191 155 L HA -0.218 4.131 4.340 0.016 0.000 0.212 155 L C 2.264 179.235 176.870 0.168 0.000 1.103 155 L CA 1.612 56.551 54.840 0.166 0.000 0.769 155 L CB -0.989 41.117 42.059 0.078 0.000 0.908 155 L HN 0.366 nan 8.230 nan 0.000 0.438 156 F N -1.066 118.888 119.950 0.006 0.000 2.186 156 F HA -0.192 4.345 4.527 0.016 0.000 0.299 156 F C 1.918 177.669 175.800 -0.081 0.000 1.090 156 F CA 1.342 59.259 58.000 -0.138 0.000 1.307 156 F CB -0.368 38.377 39.000 -0.425 0.000 1.019 156 F HN 0.062 nan 8.300 nan 0.000 0.489 157 F N 0.697 120.732 119.950 0.141 0.000 2.186 157 F HA -0.041 4.496 4.527 0.015 0.000 0.299 157 F C 2.614 178.485 175.800 0.120 0.000 1.090 157 F CA 1.173 59.227 58.000 0.089 0.000 1.307 157 F CB -1.367 37.803 39.000 0.284 0.000 1.019 157 F HN 0.086 nan 8.300 nan 0.000 0.489 158 A N 0.734 123.766 122.820 0.354 0.000 1.869 158 A HA -0.308 4.021 4.320 0.016 0.000 0.218 158 A C 2.238 179.955 177.584 0.221 0.000 1.203 158 A CA 2.433 54.647 52.037 0.297 0.000 0.638 158 A CB -0.831 18.293 19.000 0.207 0.000 0.831 158 A HN 0.421 nan 8.150 nan 0.000 0.450 159 K N -0.771 119.668 120.400 0.066 0.000 2.147 159 K HA -0.134 4.196 4.320 0.016 0.000 0.205 159 K C 2.142 178.722 176.600 -0.034 0.000 1.049 159 K CA 1.419 57.713 56.287 0.012 0.000 0.936 159 K CB -0.211 32.246 32.500 -0.071 0.000 0.722 159 K HN 0.418 nan 8.250 nan 0.000 0.446 160 R N -0.204 120.204 120.500 -0.152 0.000 2.148 160 R HA -0.087 4.263 4.340 0.016 0.000 0.227 160 R C 1.864 178.092 176.300 -0.120 0.000 1.103 160 R CA 1.116 57.096 56.100 -0.200 0.000 0.983 160 R CB -0.177 29.928 30.300 -0.326 0.000 0.874 160 R HN 0.221 nan 8.270 nan 0.000 0.451 161 Y N 0.681 120.996 120.300 0.027 0.000 2.263 161 Y HA -0.112 4.447 4.550 0.016 0.000 0.292 161 Y C 2.311 178.310 175.900 0.164 0.000 1.130 161 Y CA 1.218 59.366 58.100 0.080 0.000 1.179 161 Y CB 0.028 38.596 38.460 0.179 0.000 0.998 161 Y HN -0.104 nan 8.280 nan 0.000 0.532 162 K N -0.043 120.556 120.400 0.332 0.000 2.217 162 K HA -0.068 4.262 4.320 0.016 0.000 0.202 162 K C 2.009 178.718 176.600 0.183 0.000 1.051 162 K CA 0.916 57.390 56.287 0.312 0.000 0.952 162 K CB -0.113 32.570 32.500 0.306 0.000 0.736 162 K HN 0.235 nan 8.250 nan 0.000 0.453 163 A N 0.399 123.269 122.820 0.083 0.000 2.067 163 A HA 0.099 4.429 4.320 0.016 0.000 0.217 163 A C 2.088 179.650 177.584 -0.038 0.000 1.156 163 A CA 1.174 53.228 52.037 0.028 0.000 0.683 163 A CB -0.280 18.711 19.000 -0.015 0.000 0.808 163 A HN 0.403 nan 8.150 nan 0.000 0.455 164 A N -1.460 121.287 122.820 -0.121 0.000 1.975 164 A HA 0.257 4.587 4.320 0.016 0.000 0.215 164 A C 1.709 179.082 177.584 -0.352 0.000 1.170 164 A CA 0.830 52.711 52.037 -0.260 0.000 0.656 164 A CB -0.471 18.295 19.000 -0.391 0.000 0.821 164 A HN 0.403 nan 8.150 nan 0.000 0.449 165 F N -0.094 119.686 119.950 -0.284 0.000 2.335 165 F HA 0.007 4.544 4.527 0.016 0.000 0.296 165 F C 2.593 178.148 175.800 -0.409 0.000 1.091 165 F CA 1.528 59.157 58.000 -0.618 0.000 1.399 165 F CB -0.604 37.536 39.000 -1.433 0.000 1.067 165 F HN 0.087 nan 8.300 nan 0.000 0.520 166 T N -0.750 113.834 114.554 0.049 0.000 2.812 166 T HA -0.178 4.182 4.350 0.016 0.000 0.264 166 T C 1.947 176.741 174.700 0.157 0.000 1.042 166 T CA 1.494 63.766 62.100 0.286 0.000 1.140 166 T CB -0.116 68.909 68.868 0.262 0.000 0.870 166 T HN 0.346 nan 8.240 nan 0.000 0.445 167 E N -0.431 119.803 120.200 0.058 0.000 2.086 167 E HA -0.083 4.277 4.350 0.016 0.000 0.190 167 E C 2.181 178.790 176.600 0.014 0.000 0.975 167 E CA 0.883 57.300 56.400 0.028 0.000 0.813 167 E CB -0.082 29.613 29.700 -0.008 0.000 0.768 167 E HN 0.437 nan 8.360 nan 0.000 0.457 168 c N 0.404 118.989 118.600 -0.026 0.000 2.500 168 c HA -0.010 4.570 4.570 0.016 0.000 0.279 168 c C 2.641 176.744 174.090 0.021 0.000 1.288 168 c CA 0.151 56.462 56.329 -0.030 0.000 1.710 168 c CB -0.767 41.682 42.510 -0.101 0.000 2.052 168 c HN 0.609 nan 8.230 nan 0.000 0.488 169 c N 1.011 119.652 118.600 0.068 0.000 2.460 169 c HA 0.022 4.601 4.570 0.016 0.000 0.291 169 c C 2.785 176.945 174.090 0.117 0.000 1.493 169 c CA 1.569 57.973 56.329 0.125 0.000 1.748 169 c CB -2.326 40.334 42.510 0.250 0.000 1.656 169 c HN 0.826 nan 8.230 nan 0.000 0.576 170 Q N -0.524 119.332 119.800 0.093 0.000 2.350 170 Q HA 0.621 4.971 4.340 0.016 0.000 0.225 170 Q C 1.005 177.032 176.000 0.045 0.000 0.878 170 Q CA 0.790 56.639 55.803 0.077 0.000 0.935 170 Q CB -0.115 28.674 28.738 0.084 0.000 1.099 170 Q HN 0.693 nan 8.270 nan 0.000 0.527 171 A N 0.105 122.945 122.820 0.033 0.000 2.313 171 A HA 0.748 5.078 4.320 0.016 0.000 0.261 171 A C 1.638 179.231 177.584 0.014 0.000 1.090 171 A CA 0.282 52.329 52.037 0.017 0.000 0.807 171 A CB 0.284 19.288 19.000 0.007 0.000 1.055 171 A HN 0.970 nan 8.150 nan 0.000 0.492 172 A N -0.139 122.686 122.820 0.008 0.000 1.897 172 A HA 0.021 4.351 4.320 0.016 0.000 0.215 172 A C 1.086 178.672 177.584 0.003 0.000 1.181 172 A CA 1.648 53.689 52.037 0.006 0.000 0.620 172 A CB -0.223 18.779 19.000 0.003 0.000 0.821 172 A HN 0.691 nan 8.150 nan 0.000 0.443 173 D N -0.124 120.276 120.400 0.000 0.000 3.110 173 D HA 0.210 4.860 4.640 0.016 0.000 0.254 173 D C 0.948 177.245 176.300 -0.005 0.000 1.283 173 D CA -0.053 53.945 54.000 -0.003 0.000 0.944 173 D CB -0.018 40.779 40.800 -0.005 0.000 1.066 173 D HN 0.350 nan 8.370 nan 0.000 0.496 174 K N 0.372 120.772 120.400 -0.000 0.000 2.015 174 K HA -0.276 4.054 4.320 0.016 0.000 0.220 174 K C 1.927 178.519 176.600 -0.014 0.000 1.055 174 K CA 1.739 58.025 56.287 -0.002 0.000 0.951 174 K CB -0.190 32.318 32.500 0.013 0.000 0.725 174 K HN 0.238 nan 8.250 nan 0.000 0.449 175 A N 1.638 124.454 122.820 -0.007 0.000 1.884 175 A HA -0.233 4.096 4.320 0.016 0.000 0.219 175 A C 2.451 180.023 177.584 -0.020 0.000 1.197 175 A CA 2.460 54.491 52.037 -0.010 0.000 0.637 175 A CB -1.045 17.954 19.000 -0.002 0.000 0.827 175 A HN 0.447 nan 8.150 nan 0.000 0.450 176 A N -1.848 120.962 122.820 -0.017 0.000 2.131 176 A HA -0.125 4.204 4.320 0.016 0.000 0.220 176 A C 2.273 179.840 177.584 -0.029 0.000 1.158 176 A CA 1.776 53.802 52.037 -0.019 0.000 0.665 176 A CB -1.094 17.897 19.000 -0.014 0.000 0.795 176 A HN 0.800 nan 8.150 nan 0.000 0.460 177 c N -1.838 116.740 118.600 -0.036 0.000 2.684 177 c HA 0.214 4.794 4.570 0.016 0.000 0.283 177 c C 2.322 176.362 174.090 -0.083 0.000 1.346 177 c CA 0.858 57.156 56.329 -0.052 0.000 1.707 177 c CB -1.120 41.362 42.510 -0.046 0.000 2.137 177 c HN 0.541 nan 8.230 nan 0.000 0.544 178 L N 1.161 122.324 121.223 -0.101 0.000 1.989 178 L HA -0.058 4.292 4.340 0.016 0.000 0.211 178 L C 2.287 179.078 176.870 -0.132 0.000 1.071 178 L CA 1.989 56.731 54.840 -0.164 0.000 0.749 178 L CB -1.046 40.914 42.059 -0.166 0.000 0.890 178 L HN 0.290 nan 8.230 nan 0.000 0.431 179 L N 0.282 121.461 121.223 -0.074 0.000 1.997 179 L HA -0.192 4.157 4.340 0.016 0.000 0.216 179 L C -0.414 176.429 176.870 -0.044 0.000 1.074 179 L CA 2.561 57.373 54.840 -0.045 0.000 0.763 179 L CB -2.356 39.690 42.059 -0.021 0.000 0.890 179 L HN 0.302 nan 8.230 nan 0.000 0.434 180 P HA -0.159 nan 4.420 nan 0.000 0.223 180 P C 1.175 178.443 177.300 -0.053 0.000 1.151 180 P CA 1.387 64.465 63.100 -0.037 0.000 0.787 180 P CB -0.007 31.674 31.700 -0.031 0.000 0.788 181 K N -0.233 120.114 120.400 -0.088 0.000 2.098 181 K HA 0.091 4.420 4.320 0.016 0.000 0.203 181 K C 2.303 178.824 176.600 -0.132 0.000 1.051 181 K CA 0.714 56.927 56.287 -0.123 0.000 0.957 181 K CB -0.534 31.859 32.500 -0.179 0.000 0.738 181 K HN 0.172 nan 8.250 nan 0.000 0.447 182 L N 1.547 122.706 121.223 -0.107 0.000 2.191 182 L HA -0.185 4.165 4.340 0.016 0.000 0.212 182 L C 1.521 178.400 176.870 0.015 0.000 1.103 182 L CA 1.194 56.025 54.840 -0.016 0.000 0.769 182 L CB -0.486 41.582 42.059 0.014 0.000 0.908 182 L HN 0.179 nan 8.230 nan 0.000 0.438 183 D N -0.381 120.014 120.400 -0.008 0.000 2.149 183 D HA -0.173 4.477 4.640 0.016 0.000 0.201 183 D C 2.017 178.319 176.300 0.002 0.000 0.972 183 D CA 0.874 54.878 54.000 0.006 0.000 0.835 183 D CB 0.176 40.977 40.800 0.002 0.000 0.966 183 D HN 0.320 nan 8.370 nan 0.000 0.476 184 E N -0.169 120.021 120.200 -0.016 0.000 2.028 184 E HA -0.137 4.222 4.350 0.016 0.000 0.191 184 E C 1.859 178.460 176.600 0.002 0.000 0.988 184 E CA 0.543 56.940 56.400 -0.005 0.000 0.799 184 E CB 0.005 29.695 29.700 -0.017 0.000 0.755 184 E HN -0.030 nan 8.360 nan 0.000 0.447 185 L N 1.495 122.680 121.223 -0.063 0.000 1.989 185 L HA -0.193 4.157 4.340 0.016 0.000 0.211 185 L C 2.576 179.438 176.870 -0.013 0.000 1.071 185 L CA 1.898 56.682 54.840 -0.093 0.000 0.749 185 L CB -1.144 40.613 42.059 -0.503 0.000 0.890 185 L HN 0.189 nan 8.230 nan 0.000 0.431 186 R N -0.280 120.241 120.500 0.035 0.000 2.115 186 R HA -0.228 4.122 4.340 0.016 0.000 0.239 186 R C 1.896 178.184 176.300 -0.020 0.000 1.133 186 R CA 2.196 58.314 56.100 0.029 0.000 0.935 186 R CB -0.484 29.845 30.300 0.049 0.000 0.853 186 R HN 0.391 nan 8.270 nan 0.000 0.433 187 D N -0.164 120.241 120.400 0.009 0.000 2.309 187 D HA -0.131 4.518 4.640 0.016 0.000 0.212 187 D C 1.495 177.829 176.300 0.056 0.000 0.968 187 D CA 0.923 54.937 54.000 0.023 0.000 0.882 187 D CB 0.110 40.928 40.800 0.030 0.000 0.918 187 D HN 0.475 nan 8.370 nan 0.000 0.503 188 E N -0.509 119.739 120.200 0.079 0.000 2.190 188 E HA 0.000 4.360 4.350 0.016 0.000 0.191 188 E C 2.029 178.709 176.600 0.134 0.000 0.978 188 E CA 0.354 56.870 56.400 0.193 0.000 0.839 188 E CB 0.204 30.101 29.700 0.329 0.000 0.787 188 E HN 0.174 nan 8.360 nan 0.000 0.473 189 G N 1.111 109.785 108.800 -0.210 0.000 2.421 189 G HA2 -0.191 3.778 3.960 0.016 0.000 0.217 189 G HA3 -0.191 3.778 3.960 0.016 0.000 0.217 189 G C 1.499 176.183 174.900 -0.360 0.000 1.143 189 G CA 0.234 44.937 45.100 -0.662 0.000 0.784 189 G HN 0.040 nan 8.290 nan 0.000 0.541 190 K N 0.642 120.920 120.400 -0.204 0.000 2.025 190 K HA 0.023 4.353 4.320 0.016 0.000 0.207 190 K C 2.956 179.537 176.600 -0.032 0.000 1.049 190 K CA 1.044 57.252 56.287 -0.132 0.000 0.933 190 K CB -0.267 32.195 32.500 -0.062 0.000 0.714 190 K HN 0.250 nan 8.250 nan 0.000 0.438 191 A N 1.330 124.175 122.820 0.042 0.000 1.877 191 A HA -0.197 4.132 4.320 0.016 0.000 0.216 191 A C 2.289 179.955 177.584 0.136 0.000 1.186 191 A CA 2.282 54.385 52.037 0.109 0.000 0.620 191 A CB -0.770 18.334 19.000 0.173 0.000 0.822 191 A HN 0.366 nan 8.150 nan 0.000 0.443 192 S N -0.420 115.396 115.700 0.195 0.000 2.368 192 S HA -0.174 4.306 4.470 0.016 0.000 0.225 192 S C 2.313 177.115 174.600 0.335 0.000 1.030 192 S CA 2.148 60.539 58.200 0.318 0.000 0.999 192 S CB -0.581 62.961 63.200 0.571 0.000 0.844 192 S HN 0.725 nan 8.310 nan 0.000 0.459 193 S N 1.184 116.998 115.700 0.191 0.000 2.355 193 S HA 0.043 4.522 4.470 0.016 0.000 0.222 193 S C 2.198 176.887 174.600 0.148 0.000 1.031 193 S CA 1.447 59.754 58.200 0.177 0.000 0.993 193 S CB -1.073 62.010 63.200 -0.195 0.000 0.859 193 S HN 0.796 nan 8.310 nan 0.000 0.453 194 A N 1.321 124.191 122.820 0.083 0.000 1.940 194 A HA -0.123 4.206 4.320 0.016 0.000 0.219 194 A C 2.204 179.838 177.584 0.082 0.000 1.176 194 A CA 1.877 53.958 52.037 0.074 0.000 0.631 194 A CB -0.677 18.356 19.000 0.055 0.000 0.814 194 A HN 0.664 nan 8.150 nan 0.000 0.446 195 K N -0.807 119.653 120.400 0.099 0.000 2.057 195 K HA -0.195 4.134 4.320 0.016 0.000 0.206 195 K C 2.413 179.068 176.600 0.092 0.000 1.050 195 K CA 1.585 57.920 56.287 0.080 0.000 0.935 195 K CB -0.167 32.389 32.500 0.093 0.000 0.715 195 K HN 0.744 nan 8.250 nan 0.000 0.439 196 Q N 0.913 120.796 119.800 0.139 0.000 2.030 196 Q HA -0.254 4.095 4.340 0.016 0.000 0.204 196 Q C 2.176 178.238 176.000 0.104 0.000 0.986 196 Q CA 2.544 58.427 55.803 0.134 0.000 0.843 196 Q CB -0.195 28.654 28.738 0.185 0.000 0.904 196 Q HN 0.210 nan 8.270 nan 0.000 0.420 197 R N 0.393 120.958 120.500 0.107 0.000 2.189 197 R HA -0.022 4.327 4.340 0.016 0.000 0.223 197 R C 2.027 178.359 176.300 0.054 0.000 1.092 197 R CA 1.333 57.480 56.100 0.079 0.000 0.989 197 R CB -1.188 29.161 30.300 0.082 0.000 0.876 197 R HN 0.467 nan 8.270 nan 0.000 0.457 198 L N 0.192 121.444 121.223 0.048 0.000 2.131 198 L HA 0.149 4.499 4.340 0.016 0.000 0.206 198 L C 2.072 178.943 176.870 0.002 0.000 1.087 198 L CA 1.785 56.638 54.840 0.023 0.000 0.767 198 L CB -0.241 41.822 42.059 0.007 0.000 0.917 198 L HN 0.298 nan 8.230 nan 0.000 0.441 199 K N -1.279 119.126 120.400 0.008 0.000 2.057 199 K HA -0.141 4.188 4.320 0.016 0.000 0.206 199 K C 2.056 178.673 176.600 0.028 0.000 1.050 199 K CA 1.665 57.957 56.287 0.008 0.000 0.935 199 K CB -0.328 32.228 32.500 0.094 0.000 0.715 199 K HN 0.420 nan 8.250 nan 0.000 0.439 200 c N 0.282 118.900 118.600 0.031 0.000 2.432 200 c HA 0.007 4.587 4.570 0.016 0.000 0.282 200 c C 2.705 176.795 174.090 -0.001 0.000 1.388 200 c CA 0.501 56.831 56.329 0.003 0.000 1.777 200 c CB -0.844 41.672 42.510 0.010 0.000 1.882 200 c HN 0.497 nan 8.230 nan 0.000 0.520 201 A N 0.310 123.140 122.820 0.017 0.000 1.872 201 A HA -0.089 4.240 4.320 0.016 0.000 0.214 201 A C 2.307 179.916 177.584 0.041 0.000 1.187 201 A CA 1.951 53.997 52.037 0.015 0.000 0.614 201 A CB -0.781 18.236 19.000 0.027 0.000 0.826 201 A HN 0.475 nan 8.150 nan 0.000 0.442 202 S N -0.439 115.327 115.700 0.109 0.000 2.356 202 S HA -0.149 4.330 4.470 0.016 0.000 0.223 202 S C 1.869 176.614 174.600 0.242 0.000 1.032 202 S CA 1.488 59.855 58.200 0.279 0.000 1.005 202 S CB -0.455 62.843 63.200 0.165 0.000 0.867 202 S HN 0.470 nan 8.310 nan 0.000 0.449 203 L N 1.418 122.702 121.223 0.101 0.000 2.127 203 L HA -0.222 4.127 4.340 0.016 0.000 0.211 203 L C 2.834 179.705 176.870 0.002 0.000 1.089 203 L CA 2.140 56.981 54.840 0.002 0.000 0.757 203 L CB -0.613 41.325 42.059 -0.203 0.000 0.899 203 L HN 0.470 nan 8.230 nan 0.000 0.434 204 Q N -0.730 119.060 119.800 -0.017 0.000 2.165 204 Q HA -0.136 4.214 4.340 0.016 0.000 0.197 204 Q C 2.251 178.187 176.000 -0.106 0.000 0.952 204 Q CA 1.403 57.176 55.803 -0.050 0.000 0.848 204 Q CB -0.465 28.242 28.738 -0.052 0.000 0.931 204 Q HN 0.561 nan 8.270 nan 0.000 0.470 205 K N -0.640 119.636 120.400 -0.206 0.000 1.991 205 K HA 0.064 4.394 4.320 0.016 0.000 0.207 205 K C 1.788 178.072 176.600 -0.525 0.000 1.045 205 K CA 1.564 57.562 56.287 -0.482 0.000 0.937 205 K CB -0.053 31.919 32.500 -0.880 0.000 0.720 205 K HN 0.511 nan 8.250 nan 0.000 0.438 206 F N 0.293 120.251 119.950 0.014 0.000 2.698 206 F HA 0.229 4.765 4.527 0.016 0.000 0.295 206 F C 1.284 177.109 175.800 0.042 0.000 1.124 206 F CA 0.245 58.262 58.000 0.027 0.000 1.426 206 F CB -0.066 38.952 39.000 0.030 0.000 1.120 206 F HN 0.180 nan 8.300 nan 0.000 0.583 207 G N 0.684 109.593 108.800 0.182 0.000 2.728 207 G HA2 -0.276 3.693 3.960 0.016 0.000 0.294 207 G HA3 -0.276 3.693 3.960 0.016 0.000 0.294 207 G C 0.404 175.409 174.900 0.176 0.000 1.342 207 G CA 0.018 45.196 45.100 0.130 0.000 0.866 207 G HN 0.243 nan 8.290 nan 0.000 0.534 208 E N -0.424 119.855 120.200 0.131 0.000 2.033 208 E HA -0.208 4.152 4.350 0.016 0.000 0.199 208 E C 2.635 179.363 176.600 0.213 0.000 1.011 208 E CA 1.743 58.241 56.400 0.165 0.000 0.815 208 E CB -0.108 29.656 29.700 0.106 0.000 0.755 208 E HN 0.506 nan 8.360 nan 0.000 0.451 209 R N -0.222 120.375 120.500 0.163 0.000 2.154 209 R HA -0.279 4.071 4.340 0.016 0.000 0.236 209 R C 2.321 178.721 176.300 0.166 0.000 1.121 209 R CA 1.774 57.966 56.100 0.152 0.000 0.915 209 R CB -0.596 29.780 30.300 0.128 0.000 0.856 209 R HN 0.262 nan 8.270 nan 0.000 0.431 210 A N 0.274 123.195 122.820 0.169 0.000 1.927 210 A HA -0.252 4.078 4.320 0.016 0.000 0.220 210 A C 2.077 179.754 177.584 0.155 0.000 1.185 210 A CA 1.815 53.932 52.037 0.133 0.000 0.639 210 A CB -0.903 18.169 19.000 0.120 0.000 0.820 210 A HN 0.564 nan 8.150 nan 0.000 0.451 211 F N 0.425 120.432 119.950 0.094 0.000 2.134 211 F HA -0.129 4.408 4.527 0.016 0.000 0.299 211 F C 2.229 178.133 175.800 0.173 0.000 1.097 211 F CA 2.156 60.220 58.000 0.107 0.000 1.264 211 F CB -0.148 38.884 39.000 0.054 0.000 1.001 211 F HN 0.125 nan 8.300 nan 0.000 0.479 212 K N 0.087 120.629 120.400 0.237 0.000 2.057 212 K HA -0.158 4.172 4.320 0.016 0.000 0.207 212 K C 2.318 178.940 176.600 0.037 0.000 1.049 212 K CA 1.173 57.542 56.287 0.138 0.000 0.931 212 K CB -0.582 32.017 32.500 0.164 0.000 0.714 212 K HN 0.349 nan 8.250 nan 0.000 0.440 213 A N 1.100 123.963 122.820 0.071 0.000 1.865 213 A HA -0.228 4.101 4.320 0.016 0.000 0.217 213 A C 1.928 179.502 177.584 -0.016 0.000 1.191 213 A CA 1.664 53.731 52.037 0.050 0.000 0.623 213 A CB -1.141 17.904 19.000 0.074 0.000 0.826 213 A HN 0.595 nan 8.150 nan 0.000 0.444 214 W N 0.523 121.697 121.300 -0.210 0.000 2.298 214 W HA -0.256 4.412 4.660 0.013 0.000 0.328 214 W C 2.568 178.896 176.519 -0.319 0.000 1.259 214 W CA 2.933 60.106 57.345 -0.287 0.000 1.251 214 W CB -0.645 28.579 29.460 -0.394 0.000 1.161 214 W HN 0.392 nan 8.180 nan 0.000 0.466 215 A N -0.211 122.386 122.820 -0.371 0.000 1.917 215 A HA -0.250 4.080 4.320 0.016 0.000 0.219 215 A C 2.068 179.414 177.584 -0.397 0.000 1.182 215 A CA 2.707 54.438 52.037 -0.510 0.000 0.633 215 A CB -1.359 17.459 19.000 -0.303 0.000 0.819 215 A HN 0.282 nan 8.150 nan 0.000 0.448 216 V N -0.347 119.425 119.914 -0.237 0.000 2.255 216 V HA -0.278 3.851 4.120 0.016 0.000 0.247 216 V C 3.091 179.070 176.094 -0.192 0.000 1.051 216 V CA 2.136 64.349 62.300 -0.146 0.000 1.018 216 V CB -1.263 30.540 31.823 -0.033 0.000 0.641 216 V HN 0.656 nan 8.190 nan 0.000 0.445 217 A N 0.042 122.710 122.820 -0.253 0.000 1.908 217 A HA -0.275 4.054 4.320 0.016 0.000 0.218 217 A C 2.483 179.836 177.584 -0.385 0.000 1.181 217 A CA 2.944 54.812 52.037 -0.282 0.000 0.627 217 A CB -0.746 18.078 19.000 -0.294 0.000 0.818 217 A HN 0.544 nan 8.150 nan 0.000 0.445 218 R N -0.366 119.778 120.500 -0.595 0.000 2.073 218 R HA 0.187 4.536 4.340 0.016 0.000 0.229 218 R C 2.188 178.184 176.300 -0.506 0.000 1.120 218 R CA 1.429 57.148 56.100 -0.636 0.000 0.967 218 R CB -1.415 28.278 30.300 -1.011 0.000 0.862 218 R HN 0.556 nan 8.270 nan 0.000 0.436 219 L N 1.492 122.451 121.223 -0.440 0.000 2.046 219 L HA -0.151 4.199 4.340 0.016 0.000 0.208 219 L C 2.816 179.493 176.870 -0.323 0.000 1.077 219 L CA 1.949 56.559 54.840 -0.383 0.000 0.747 219 L CB -0.266 41.690 42.059 -0.170 0.000 0.896 219 L HN 0.605 nan 8.230 nan 0.000 0.432 220 S N -1.745 113.852 115.700 -0.171 0.000 2.515 220 S HA -0.173 4.307 4.470 0.016 0.000 0.231 220 S C 1.745 176.235 174.600 -0.183 0.000 0.987 220 S CA 0.508 58.670 58.200 -0.063 0.000 0.936 220 S CB -0.020 63.206 63.200 0.043 0.000 0.766 220 S HN 0.440 nan 8.310 nan 0.000 0.528 221 Q N 0.803 120.443 119.800 -0.267 0.000 2.096 221 Q HA 0.096 4.445 4.340 0.016 0.000 0.197 221 Q C 2.413 178.253 176.000 -0.266 0.000 0.964 221 Q CA 0.684 56.333 55.803 -0.256 0.000 0.838 221 Q CB 0.063 28.640 28.738 -0.268 0.000 0.906 221 Q HN 0.480 nan 8.270 nan 0.000 0.444 222 R N -0.236 120.013 120.500 -0.418 0.000 2.062 222 R HA -0.049 4.301 4.340 0.016 0.000 0.229 222 R C 0.251 176.384 176.300 -0.277 0.000 1.128 222 R CA 0.826 56.625 56.100 -0.502 0.000 0.960 222 R CB -0.049 29.659 30.300 -0.986 0.000 0.855 222 R HN 0.143 nan 8.270 nan 0.000 0.432 223 F N 2.075 121.988 119.950 -0.061 0.000 2.334 223 F HA 0.331 4.868 4.527 0.017 0.000 0.343 223 F C -1.582 174.205 175.800 -0.021 0.000 1.136 223 F CA -3.535 54.445 58.000 -0.034 0.000 1.237 223 F CB 0.768 39.760 39.000 -0.014 0.000 1.525 223 F HN -0.075 nan 8.300 nan 0.000 0.528 224 P HA -0.060 nan 4.420 nan 0.000 0.237 224 P C 0.844 178.163 177.300 0.031 0.000 1.178 224 P CA 0.981 64.070 63.100 -0.018 0.000 0.766 224 P CB 0.397 32.042 31.700 -0.092 0.000 0.876 225 K N -0.384 120.069 120.400 0.088 0.000 2.308 225 K HA 0.242 4.572 4.320 0.016 0.000 0.197 225 K C 1.168 177.843 176.600 0.125 0.000 1.049 225 K CA 0.008 56.343 56.287 0.080 0.000 0.991 225 K CB -0.039 32.487 32.500 0.044 0.000 0.836 225 K HN 0.011 nan 8.250 nan 0.000 0.500 226 A N 2.020 124.934 122.820 0.156 0.000 2.483 226 A HA -0.005 4.324 4.320 0.016 0.000 0.238 226 A C -0.302 177.407 177.584 0.209 0.000 1.070 226 A CA 0.119 52.238 52.037 0.137 0.000 0.770 226 A CB 0.077 19.155 19.000 0.129 0.000 1.008 226 A HN 0.215 nan 8.150 nan 0.000 0.497 227 E N 0.312 120.579 120.200 0.111 0.000 2.366 227 E HA 0.195 4.555 4.350 0.016 0.000 0.266 227 E C 0.347 176.879 176.600 -0.113 0.000 1.051 227 E CA -0.284 56.158 56.400 0.070 0.000 0.884 227 E CB 0.513 30.247 29.700 0.056 0.000 1.006 227 E HN 0.630 nan 8.360 nan 0.000 0.417 228 F N 2.943 122.538 119.950 -0.591 0.000 2.184 228 F HA -0.316 4.220 4.527 0.015 0.000 0.301 228 F C 1.836 177.467 175.800 -0.281 0.000 1.076 228 F CA 1.992 59.537 58.000 -0.759 0.000 1.295 228 F CB -0.061 38.490 39.000 -0.748 0.000 1.026 228 F HN 0.584 nan 8.300 nan 0.000 0.494 229 A N -0.338 122.448 122.820 -0.056 0.000 1.877 229 A HA -0.220 4.110 4.320 0.016 0.000 0.216 229 A C 2.068 179.584 177.584 -0.114 0.000 1.186 229 A CA 1.872 53.880 52.037 -0.048 0.000 0.620 229 A CB -0.873 18.148 19.000 0.035 0.000 0.822 229 A HN 0.425 nan 8.150 nan 0.000 0.443 230 E N -0.257 119.900 120.200 -0.071 0.000 2.047 230 E HA -0.095 4.264 4.350 0.016 0.000 0.191 230 E C 2.015 178.582 176.600 -0.055 0.000 0.987 230 E CA 1.290 57.680 56.400 -0.016 0.000 0.799 230 E CB -0.476 29.234 29.700 0.017 0.000 0.752 230 E HN 0.247 nan 8.360 nan 0.000 0.449 231 V N 0.290 120.128 119.914 -0.127 0.000 2.282 231 V HA -0.320 3.810 4.120 0.016 0.000 0.249 231 V C 2.343 178.294 176.094 -0.239 0.000 1.057 231 V CA 2.097 64.316 62.300 -0.136 0.000 1.032 231 V CB -0.805 30.904 31.823 -0.190 0.000 0.645 231 V HN 0.229 nan 8.190 nan 0.000 0.447 232 S N -0.776 114.648 115.700 -0.460 0.000 2.365 232 S HA -0.263 4.216 4.470 0.016 0.000 0.225 232 S C 2.102 176.600 174.600 -0.169 0.000 1.039 232 S CA 1.719 59.686 58.200 -0.388 0.000 1.033 232 S CB -0.381 62.549 63.200 -0.450 0.000 0.887 232 S HN 0.453 nan 8.310 nan 0.000 0.447 233 K N 1.374 121.697 120.400 -0.128 0.000 1.987 233 K HA -0.114 4.215 4.320 0.016 0.000 0.216 233 K C 2.073 178.631 176.600 -0.069 0.000 1.051 233 K CA 1.593 57.825 56.287 -0.092 0.000 0.942 233 K CB -0.938 31.519 32.500 -0.072 0.000 0.722 233 K HN 0.360 nan 8.250 nan 0.000 0.444 234 L N 0.500 121.719 121.223 -0.007 0.000 1.990 234 L HA -0.222 4.128 4.340 0.016 0.000 0.213 234 L C 2.629 179.527 176.870 0.047 0.000 1.072 234 L CA 1.207 56.080 54.840 0.055 0.000 0.755 234 L CB -0.730 41.413 42.059 0.139 0.000 0.889 234 L HN -0.033 nan 8.230 nan 0.000 0.432 235 V N -0.310 119.612 119.914 0.013 0.000 2.380 235 V HA -0.319 3.811 4.120 0.016 0.000 0.251 235 V C 2.568 178.701 176.094 0.066 0.000 1.063 235 V CA 2.415 64.732 62.300 0.027 0.000 1.055 235 V CB -0.627 31.177 31.823 -0.031 0.000 0.657 235 V HN 0.534 nan 8.190 nan 0.000 0.455 236 T N -0.623 113.944 114.554 0.021 0.000 2.701 236 T HA -0.166 4.194 4.350 0.016 0.000 0.263 236 T C 1.640 176.362 174.700 0.036 0.000 1.040 236 T CA 1.649 63.766 62.100 0.028 0.000 1.147 236 T CB -0.377 68.484 68.868 -0.012 0.000 0.865 236 T HN 0.469 nan 8.240 nan 0.000 0.426 237 D N 1.149 121.553 120.400 0.006 0.000 2.104 237 D HA -0.041 4.608 4.640 0.016 0.000 0.194 237 D C 2.113 178.455 176.300 0.070 0.000 0.994 237 D CA 0.481 54.484 54.000 0.005 0.000 0.830 237 D CB -0.586 40.188 40.800 -0.044 0.000 0.959 237 D HN 0.170 nan 8.370 nan 0.000 0.452 238 L N 0.760 122.055 121.223 0.121 0.000 1.951 238 L HA -0.260 4.090 4.340 0.016 0.000 0.222 238 L C 2.195 179.233 176.870 0.280 0.000 1.078 238 L CA 1.951 56.926 54.840 0.224 0.000 0.778 238 L CB -0.835 41.372 42.059 0.246 0.000 0.893 238 L HN 0.127 nan 8.230 nan 0.000 0.436 239 T N -0.824 113.899 114.554 0.281 0.000 2.760 239 T HA -0.272 4.087 4.350 0.016 0.000 0.269 239 T C 1.952 176.684 174.700 0.053 0.000 1.047 239 T CA 1.818 64.035 62.100 0.194 0.000 1.139 239 T CB -0.340 68.660 68.868 0.220 0.000 0.855 239 T HN 0.277 nan 8.240 nan 0.000 0.471 240 K N 0.799 121.235 120.400 0.061 0.000 2.057 240 K HA -0.026 4.304 4.320 0.016 0.000 0.206 240 K C 2.342 178.948 176.600 0.011 0.000 1.050 240 K CA 1.073 57.370 56.287 0.017 0.000 0.935 240 K CB -1.020 31.485 32.500 0.009 0.000 0.715 240 K HN 0.366 nan 8.250 nan 0.000 0.439 241 V N 1.315 121.253 119.914 0.040 0.000 2.233 241 V HA -0.252 3.878 4.120 0.016 0.000 0.247 241 V C 2.645 178.700 176.094 -0.065 0.000 1.050 241 V CA 2.342 64.635 62.300 -0.012 0.000 1.010 241 V CB -0.812 31.007 31.823 -0.006 0.000 0.637 241 V HN 0.653 nan 8.190 nan 0.000 0.444 242 H N -0.343 118.683 119.070 -0.074 0.000 2.457 242 H HA -0.133 4.433 4.556 0.017 0.000 0.297 242 H C 2.438 177.666 175.328 -0.166 0.000 1.092 242 H CA 1.864 57.831 56.048 -0.135 0.000 1.309 242 H CB -0.132 29.501 29.762 -0.215 0.000 1.382 242 H HN 0.431 nan 8.280 nan 0.000 0.535 243 T N -0.186 114.337 114.554 -0.051 0.000 2.777 243 T HA -0.142 4.218 4.350 0.016 0.000 0.266 243 T C 2.153 176.846 174.700 -0.011 0.000 1.040 243 T CA 1.356 63.419 62.100 -0.062 0.000 1.141 243 T CB -0.042 68.787 68.868 -0.065 0.000 0.868 243 T HN 0.313 nan 8.240 nan 0.000 0.444 244 E N -0.097 120.092 120.200 -0.019 0.000 2.046 244 E HA -0.114 4.245 4.350 0.016 0.000 0.190 244 E C 2.529 179.149 176.600 0.033 0.000 0.982 244 E CA 0.996 57.399 56.400 0.005 0.000 0.800 244 E CB -0.755 28.936 29.700 -0.015 0.000 0.756 244 E HN 0.704 nan 8.360 nan 0.000 0.449 245 c N -0.080 118.495 118.600 -0.042 0.000 2.425 245 c HA -0.103 4.476 4.570 0.016 0.000 0.277 245 c C 2.896 176.972 174.090 -0.025 0.000 1.280 245 c CA 0.774 57.061 56.329 -0.071 0.000 1.744 245 c CB -1.297 41.071 42.510 -0.237 0.000 1.989 245 c HN 0.689 nan 8.230 nan 0.000 0.491 246 c N -0.963 117.627 118.600 -0.016 0.000 2.432 246 c HA -0.146 4.434 4.570 0.016 0.000 0.277 246 c C 2.716 176.819 174.090 0.021 0.000 1.249 246 c CA 1.016 57.345 56.329 0.001 0.000 1.725 246 c CB -1.746 40.760 42.510 -0.006 0.000 2.028 246 c HN 0.684 nan 8.230 nan 0.000 0.477 247 H N 0.507 119.562 119.070 -0.025 0.000 2.518 247 H HA -0.087 4.479 4.556 0.016 0.000 0.294 247 H C 1.854 177.185 175.328 0.005 0.000 1.083 247 H CA 1.581 57.622 56.048 -0.011 0.000 1.264 247 H CB -0.315 29.441 29.762 -0.009 0.000 1.370 247 H HN 0.613 nan 8.280 nan 0.000 0.560 248 G N 0.810 109.627 108.800 0.028 0.000 2.157 248 G HA2 -0.235 3.734 3.960 0.016 0.000 0.248 248 G HA3 -0.235 3.734 3.960 0.016 0.000 0.248 248 G C -0.024 174.926 174.900 0.084 0.000 0.979 248 G CA 0.324 45.428 45.100 0.006 0.000 0.650 248 G HN 0.555 nan 8.290 nan 0.000 0.529 249 D N 0.843 121.351 120.400 0.180 0.000 2.365 249 D HA 0.344 4.993 4.640 0.016 0.000 0.237 249 D C 1.676 178.064 176.300 0.146 0.000 1.190 249 D CA -0.535 53.593 54.000 0.214 0.000 0.867 249 D CB 0.944 41.909 40.800 0.275 0.000 1.050 249 D HN 0.061 nan 8.370 nan 0.000 0.491 250 L N 5.587 126.862 121.223 0.086 0.000 1.971 250 L HA -0.222 4.127 4.340 0.016 0.000 0.215 250 L C 2.032 178.918 176.870 0.025 0.000 1.072 250 L CA 1.839 56.697 54.840 0.031 0.000 0.758 250 L CB -0.644 41.361 42.059 -0.089 0.000 0.889 250 L HN 0.551 nan 8.230 nan 0.000 0.433 251 L N -0.836 120.355 121.223 -0.053 0.000 1.994 251 L HA -0.183 4.166 4.340 0.016 0.000 0.208 251 L C 2.634 179.563 176.870 0.099 0.000 1.071 251 L CA 1.342 56.162 54.840 -0.035 0.000 0.745 251 L CB -0.872 41.054 42.059 -0.223 0.000 0.892 251 L HN 0.312 nan 8.230 nan 0.000 0.431 252 E N -0.450 119.859 120.200 0.180 0.000 2.160 252 E HA -0.270 4.090 4.350 0.016 0.000 0.195 252 E C 2.243 178.891 176.600 0.080 0.000 0.991 252 E CA 1.651 58.131 56.400 0.134 0.000 0.810 252 E CB -0.577 29.192 29.700 0.115 0.000 0.742 252 E HN 0.588 nan 8.360 nan 0.000 0.466 253 c N 0.497 119.147 118.600 0.084 0.000 2.485 253 c HA 0.271 4.850 4.570 0.016 0.000 0.278 253 c C 2.823 176.954 174.090 0.068 0.000 1.356 253 c CA 0.778 57.132 56.329 0.042 0.000 1.747 253 c CB -0.723 41.809 42.510 0.036 0.000 2.001 253 c HN 0.402 nan 8.230 nan 0.000 0.501 254 A N 0.693 123.603 122.820 0.149 0.000 1.898 254 A HA -0.100 4.229 4.320 0.016 0.000 0.216 254 A C 1.920 179.567 177.584 0.105 0.000 1.181 254 A CA 2.139 54.288 52.037 0.187 0.000 0.620 254 A CB -0.669 18.405 19.000 0.123 0.000 0.819 254 A HN 0.613 nan 8.150 nan 0.000 0.442 255 D N 0.138 120.585 120.400 0.079 0.000 2.097 255 D HA -0.106 4.543 4.640 0.016 0.000 0.197 255 D C 1.347 177.678 176.300 0.053 0.000 0.984 255 D CA 1.272 55.313 54.000 0.068 0.000 0.826 255 D CB -0.482 40.362 40.800 0.074 0.000 0.973 255 D HN 0.304 nan 8.370 nan 0.000 0.460 256 D N 0.461 120.884 120.400 0.038 0.000 2.158 256 D HA -0.129 4.520 4.640 0.016 0.000 0.197 256 D C 2.120 178.429 176.300 0.014 0.000 0.995 256 D CA 0.771 54.782 54.000 0.019 0.000 0.846 256 D CB -0.047 40.752 40.800 -0.000 0.000 0.941 256 D HN 0.201 nan 8.370 nan 0.000 0.456 257 R N 0.136 120.637 120.500 0.001 0.000 2.119 257 R HA 0.109 4.458 4.340 0.016 0.000 0.222 257 R C 2.245 178.566 176.300 0.036 0.000 1.088 257 R CA 0.911 57.006 56.100 -0.008 0.000 0.984 257 R CB -0.091 30.171 30.300 -0.064 0.000 0.884 257 R HN 0.076 nan 8.270 nan 0.000 0.447 258 A N 1.529 124.381 122.820 0.053 0.000 1.873 258 A HA -0.184 4.146 4.320 0.016 0.000 0.215 258 A C 1.509 179.132 177.584 0.065 0.000 1.186 258 A CA 1.611 53.685 52.037 0.062 0.000 0.616 258 A CB -0.366 18.672 19.000 0.064 0.000 0.823 258 A HN 0.130 nan 8.150 nan 0.000 0.442 259 D N -0.263 120.176 120.400 0.064 0.000 2.108 259 D HA -0.171 4.479 4.640 0.016 0.000 0.190 259 D C 1.832 178.192 176.300 0.101 0.000 0.995 259 D CA 1.689 55.733 54.000 0.074 0.000 0.834 259 D CB -0.647 40.186 40.800 0.055 0.000 0.967 259 D HN 0.318 nan 8.370 nan 0.000 0.446 260 L N 0.498 121.775 121.223 0.091 0.000 2.349 260 L HA -0.088 4.261 4.340 0.016 0.000 0.220 260 L C 1.886 178.845 176.870 0.148 0.000 1.130 260 L CA 1.481 56.402 54.840 0.135 0.000 0.791 260 L CB -0.507 41.610 42.059 0.097 0.000 0.918 260 L HN -0.016 nan 8.230 nan 0.000 0.444 261 A N -0.105 122.772 122.820 0.096 0.000 1.930 261 A HA -0.151 4.179 4.320 0.016 0.000 0.215 261 A C 2.364 179.979 177.584 0.050 0.000 1.176 261 A CA 1.317 53.394 52.037 0.067 0.000 0.632 261 A CB -0.485 18.547 19.000 0.054 0.000 0.819 261 A HN 0.592 nan 8.150 nan 0.000 0.445 262 K N -1.540 118.901 120.400 0.068 0.000 2.025 262 K HA -0.211 4.118 4.320 0.016 0.000 0.207 262 K C 1.989 178.611 176.600 0.038 0.000 1.049 262 K CA 1.749 58.066 56.287 0.049 0.000 0.933 262 K CB -0.600 31.940 32.500 0.067 0.000 0.714 262 K HN 0.381 nan 8.250 nan 0.000 0.438 263 Y N 2.035 122.333 120.300 -0.004 0.000 2.165 263 Y HA -0.184 4.375 4.550 0.016 0.000 0.286 263 Y C 1.860 177.739 175.900 -0.034 0.000 1.155 263 Y CA 1.661 59.752 58.100 -0.014 0.000 1.164 263 Y CB -0.102 38.353 38.460 -0.008 0.000 0.978 263 Y HN 0.026 nan 8.280 nan 0.000 0.513 264 I N -1.127 119.330 120.570 -0.189 0.000 2.252 264 I HA -0.355 3.825 4.170 0.016 0.000 0.245 264 I C 2.461 178.410 176.117 -0.280 0.000 1.102 264 I CA 1.380 62.511 61.300 -0.280 0.000 1.385 264 I CB -0.919 37.026 38.000 -0.093 0.000 1.064 264 I HN 0.353 nan 8.210 nan 0.000 0.414 265 c N 0.681 119.180 118.600 -0.168 0.000 2.440 265 c HA -0.107 4.472 4.570 0.016 0.000 0.278 265 c C 2.687 176.688 174.090 -0.149 0.000 1.295 265 c CA 0.666 56.917 56.329 -0.131 0.000 1.738 265 c CB -0.901 41.569 42.510 -0.066 0.000 1.987 265 c HN 0.479 nan 8.230 nan 0.000 0.492 266 E N 0.428 120.528 120.200 -0.167 0.000 2.072 266 E HA -0.107 4.252 4.350 0.016 0.000 0.191 266 E C 1.263 177.741 176.600 -0.203 0.000 0.985 266 E CA 0.738 57.049 56.400 -0.148 0.000 0.801 266 E CB -0.168 29.464 29.700 -0.113 0.000 0.750 266 E HN 0.656 nan 8.360 nan 0.000 0.452 267 N N 1.119 119.610 118.700 -0.349 0.000 2.322 267 N HA -0.042 4.707 4.740 0.016 0.000 0.216 267 N C 1.302 176.638 175.510 -0.290 0.000 1.144 267 N CA -0.137 52.703 53.050 -0.349 0.000 0.830 267 N CB 0.387 38.523 38.487 -0.584 0.000 1.034 267 N HN 0.245 nan 8.380 nan 0.000 0.484 268 Q N 1.508 121.163 119.800 -0.241 0.000 2.012 268 Q HA -0.238 4.111 4.340 0.016 0.000 0.211 268 Q C 0.551 176.442 176.000 -0.181 0.000 1.009 268 Q CA 1.942 57.619 55.803 -0.211 0.000 0.866 268 Q CB 0.039 28.688 28.738 -0.149 0.000 0.945 268 Q HN 0.187 nan 8.270 nan 0.000 0.414 269 D N -0.401 119.921 120.400 -0.130 0.000 2.315 269 D HA -0.103 4.547 4.640 0.016 0.000 0.211 269 D C 1.442 177.684 176.300 -0.096 0.000 0.977 269 D CA 1.109 55.051 54.000 -0.096 0.000 0.894 269 D CB -0.171 40.587 40.800 -0.070 0.000 0.910 269 D HN 0.145 nan 8.370 nan 0.000 0.490 270 S N -1.361 114.265 115.700 -0.124 0.000 2.577 270 S HA 0.215 4.694 4.470 0.016 0.000 0.219 270 S C 1.337 175.859 174.600 -0.131 0.000 0.962 270 S CA -0.241 57.898 58.200 -0.102 0.000 0.921 270 S CB 0.158 63.302 63.200 -0.094 0.000 0.789 270 S HN 0.131 nan 8.310 nan 0.000 0.497 271 I N -1.017 119.428 120.570 -0.209 0.000 3.669 271 I HA 0.331 4.511 4.170 0.016 0.000 0.255 271 I C 0.454 176.379 176.117 -0.320 0.000 1.144 271 I CA -0.105 60.989 61.300 -0.343 0.000 1.447 271 I CB 0.691 38.324 38.000 -0.611 0.000 1.622 271 I HN 0.191 nan 8.210 nan 0.000 0.435 272 S N -0.611 114.907 115.700 -0.303 0.000 2.556 272 S HA 0.307 4.786 4.470 0.016 0.000 0.271 272 S C 0.439 174.995 174.600 -0.074 0.000 1.135 272 S CA -0.028 58.103 58.200 -0.115 0.000 0.858 272 S CB 1.592 64.775 63.200 -0.029 0.000 1.114 272 S HN 0.271 nan 8.310 nan 0.000 0.468 273 S N 2.210 117.900 115.700 -0.018 0.000 2.501 273 S HA 0.172 4.651 4.470 0.016 0.000 0.220 273 S C 0.695 175.290 174.600 -0.009 0.000 0.997 273 S CA 0.003 58.191 58.200 -0.020 0.000 0.919 273 S CB -0.233 62.961 63.200 -0.010 0.000 0.778 273 S HN 0.658 nan 8.310 nan 0.000 0.523 274 K N 1.408 121.816 120.400 0.014 0.000 2.596 274 K HA 0.317 4.647 4.320 0.016 0.000 0.211 274 K C 0.317 176.929 176.600 0.021 0.000 1.046 274 K CA 0.016 56.317 56.287 0.022 0.000 1.202 274 K CB -0.147 32.377 32.500 0.040 0.000 0.925 274 K HN 0.471 nan 8.250 nan 0.000 0.486 275 L N -0.152 121.067 121.223 -0.007 0.000 2.667 275 L HA 0.071 4.421 4.340 0.016 0.000 0.232 275 L C 2.320 179.177 176.870 -0.022 0.000 1.138 275 L CA -0.078 54.751 54.840 -0.019 0.000 0.921 275 L CB -0.554 41.462 42.059 -0.072 0.000 1.180 275 L HN 0.055 nan 8.230 nan 0.000 0.487 276 K N 1.310 121.700 120.400 -0.017 0.000 1.975 276 K HA -0.269 4.061 4.320 0.016 0.000 0.225 276 K C 2.229 178.826 176.600 -0.005 0.000 1.050 276 K CA 2.558 58.837 56.287 -0.014 0.000 0.992 276 K CB -1.513 30.981 32.500 -0.009 0.000 0.738 276 K HN 0.386 nan 8.250 nan 0.000 0.446 277 E N 0.046 120.248 120.200 0.004 0.000 2.068 277 E HA -0.275 4.084 4.350 0.016 0.000 0.207 277 E C 2.424 179.033 176.600 0.015 0.000 1.032 277 E CA 2.121 58.528 56.400 0.012 0.000 0.839 277 E CB -1.704 28.008 29.700 0.019 0.000 0.758 277 E HN 0.723 nan 8.360 nan 0.000 0.457 278 c N -0.354 118.255 118.600 0.015 0.000 2.396 278 c HA -0.196 4.384 4.570 0.016 0.000 0.277 278 c C 2.877 176.975 174.090 0.013 0.000 1.231 278 c CA 1.119 57.459 56.329 0.018 0.000 1.775 278 c CB -1.271 41.248 42.510 0.014 0.000 2.036 278 c HN 0.832 nan 8.230 nan 0.000 0.484 279 c N -0.159 118.440 118.600 -0.001 0.000 2.539 279 c HA 0.119 4.699 4.570 0.016 0.000 0.268 279 c C 2.603 176.694 174.090 0.001 0.000 1.395 279 c CA 1.166 57.490 56.329 -0.007 0.000 1.757 279 c CB -1.613 40.882 42.510 -0.026 0.000 1.851 279 c HN 0.803 nan 8.230 nan 0.000 0.545 280 E N 0.707 120.911 120.200 0.006 0.000 2.474 280 E HA 0.097 4.457 4.350 0.016 0.000 0.195 280 E C 0.634 177.245 176.600 0.018 0.000 1.039 280 E CA 0.151 56.556 56.400 0.010 0.000 0.881 280 E CB -0.061 29.644 29.700 0.009 0.000 0.970 280 E HN 0.647 nan 8.360 nan 0.000 0.486 281 K N 1.116 121.531 120.400 0.024 0.000 2.098 281 K HA 0.368 4.698 4.320 0.016 0.000 0.244 281 K C -2.353 174.265 176.600 0.031 0.000 1.014 281 K CA -1.821 54.486 56.287 0.033 0.000 0.917 281 K CB 1.209 33.737 32.500 0.046 0.000 1.072 281 K HN 0.152 nan 8.250 nan 0.000 0.477 282 P HA -0.003 nan 4.420 nan 0.000 0.276 282 P C 0.805 178.124 177.300 0.031 0.000 1.244 282 P CA -0.400 62.716 63.100 0.028 0.000 0.801 282 P CB 0.574 32.289 31.700 0.024 0.000 1.006 283 L N 3.142 124.379 121.223 0.023 0.000 2.017 283 L HA -0.252 4.097 4.340 0.016 0.000 0.234 283 L C 2.105 178.997 176.870 0.037 0.000 1.097 283 L CA 2.247 57.102 54.840 0.025 0.000 0.816 283 L CB -1.644 40.419 42.059 0.006 0.000 0.914 283 L HN 0.394 nan 8.230 nan 0.000 0.444 284 L N -1.321 119.920 121.223 0.031 0.000 2.642 284 L HA -0.146 4.203 4.340 0.016 0.000 0.236 284 L C 1.807 178.713 176.870 0.059 0.000 1.169 284 L CA 1.651 56.514 54.840 0.038 0.000 0.851 284 L CB -0.350 41.721 42.059 0.020 0.000 0.968 284 L HN 0.548 nan 8.230 nan 0.000 0.453 285 E N -1.793 118.447 120.200 0.065 0.000 2.474 285 E HA -0.015 4.344 4.350 0.016 0.000 0.215 285 E C 1.685 178.337 176.600 0.088 0.000 0.867 285 E CA -0.169 56.281 56.400 0.084 0.000 1.135 285 E CB 0.278 30.033 29.700 0.092 0.000 1.147 285 E HN 0.325 nan 8.360 nan 0.000 0.534 286 K N 0.988 121.427 120.400 0.066 0.000 2.015 286 K HA -0.205 4.125 4.320 0.016 0.000 0.216 286 K C 2.143 178.775 176.600 0.053 0.000 1.052 286 K CA 2.082 58.401 56.287 0.053 0.000 0.937 286 K CB -0.132 32.393 32.500 0.041 0.000 0.719 286 K HN -0.015 nan 8.250 nan 0.000 0.446 287 S N 0.241 115.979 115.700 0.063 0.000 2.392 287 S HA -0.276 4.203 4.470 0.016 0.000 0.225 287 S C 1.873 176.494 174.600 0.035 0.000 1.041 287 S CA 1.918 60.149 58.200 0.051 0.000 1.100 287 S CB -0.894 62.341 63.200 0.058 0.000 1.029 287 S HN 0.453 nan 8.310 nan 0.000 0.424 288 H N 0.662 119.703 119.070 -0.048 0.000 2.321 288 H HA -0.193 4.373 4.556 0.016 0.000 0.295 288 H C 2.499 177.752 175.328 -0.124 0.000 1.102 288 H CA 1.929 57.898 56.048 -0.130 0.000 1.266 288 H CB -0.922 28.697 29.762 -0.238 0.000 1.363 288 H HN 0.464 nan 8.280 nan 0.000 0.492 289 c N 0.053 118.647 118.600 -0.010 0.000 2.386 289 c HA -0.191 4.389 4.570 0.016 0.000 0.279 289 c C 2.870 176.921 174.090 -0.064 0.000 1.208 289 c CA 1.504 57.813 56.329 -0.033 0.000 1.747 289 c CB -1.389 41.141 42.510 0.033 0.000 2.046 289 c HN 0.709 nan 8.230 nan 0.000 0.453 290 I N 1.406 121.965 120.570 -0.018 0.000 2.194 290 I HA -0.228 3.951 4.170 0.016 0.000 0.246 290 I C 2.838 178.957 176.117 0.003 0.000 1.093 290 I CA 1.838 63.150 61.300 0.020 0.000 1.355 290 I CB -0.793 37.237 38.000 0.049 0.000 1.046 290 I HN 0.472 nan 8.210 nan 0.000 0.413 291 A N 0.041 122.827 122.820 -0.056 0.000 1.940 291 A HA -0.190 4.140 4.320 0.016 0.000 0.219 291 A C 2.162 179.668 177.584 -0.130 0.000 1.176 291 A CA 1.913 53.903 52.037 -0.079 0.000 0.631 291 A CB -0.505 18.430 19.000 -0.108 0.000 0.814 291 A HN 0.346 nan 8.150 nan 0.000 0.446 292 E N -1.041 119.037 120.200 -0.202 0.000 2.419 292 E HA 0.301 4.660 4.350 0.016 0.000 0.190 292 E C 0.210 176.748 176.600 -0.103 0.000 1.040 292 E CA 0.073 56.363 56.400 -0.184 0.000 0.900 292 E CB -0.152 29.376 29.700 -0.287 0.000 1.054 292 E HN 0.380 nan 8.360 nan 0.000 0.462 293 V N 1.155 121.031 119.914 -0.062 0.000 3.096 293 V HA 0.159 4.288 4.120 0.016 0.000 0.306 293 V C 0.612 176.689 176.094 -0.028 0.000 1.088 293 V CA 0.164 62.456 62.300 -0.014 0.000 1.129 293 V CB 1.605 33.462 31.823 0.058 0.000 1.014 293 V HN 0.441 nan 8.190 nan 0.000 0.486 294 E N 3.291 123.487 120.200 -0.007 0.000 2.342 294 E HA 0.232 4.591 4.350 0.016 0.000 0.257 294 E C -0.257 176.331 176.600 -0.020 0.000 1.150 294 E CA -0.731 55.657 56.400 -0.020 0.000 0.926 294 E CB 0.609 30.306 29.700 -0.004 0.000 1.074 294 E HN 0.807 nan 8.360 nan 0.000 0.449 295 N N 1.618 120.291 118.700 -0.046 0.000 2.444 295 N HA 0.052 4.802 4.740 0.016 0.000 0.255 295 N C -0.716 174.791 175.510 -0.005 0.000 1.255 295 N CA -0.053 52.965 53.050 -0.054 0.000 0.933 295 N CB 0.523 38.961 38.487 -0.080 0.000 1.143 295 N HN 0.424 nan 8.380 nan 0.000 0.453 296 D N -0.181 120.230 120.400 0.019 0.000 2.332 296 D HA 0.133 4.782 4.640 0.016 0.000 0.252 296 D C -0.542 175.755 176.300 -0.006 0.000 1.050 296 D CA -0.401 53.618 54.000 0.031 0.000 0.970 296 D CB 0.953 41.800 40.800 0.078 0.000 1.141 296 D HN 0.330 nan 8.370 nan 0.000 0.485 297 E N 0.466 120.661 120.200 -0.010 0.000 2.354 297 E HA 0.181 4.540 4.350 0.016 0.000 0.269 297 E C -0.079 176.500 176.600 -0.036 0.000 1.036 297 E CA -0.392 55.992 56.400 -0.028 0.000 0.876 297 E CB 0.647 30.333 29.700 -0.024 0.000 1.009 297 E HN 0.391 nan 8.360 nan 0.000 0.416 298 M N 2.924 122.488 119.600 -0.061 0.000 2.216 298 M HA 0.321 4.811 4.480 0.016 0.000 0.356 298 M C -2.024 174.236 176.300 -0.066 0.000 1.205 298 M CA -1.723 53.532 55.300 -0.076 0.000 1.122 298 M CB 0.828 33.354 32.600 -0.124 0.000 1.571 298 M HN 0.196 nan 8.290 nan 0.000 0.464 299 P HA -0.323 nan 4.420 nan 0.000 0.225 299 P C 1.007 178.278 177.300 -0.048 0.000 1.154 299 P CA 3.223 66.299 63.100 -0.041 0.000 0.885 299 P CB -0.128 31.552 31.700 -0.034 0.000 0.785 300 A N -3.039 119.740 122.820 -0.069 0.000 3.408 300 A HA -0.354 3.976 4.320 0.016 0.000 0.269 300 A C 1.348 178.899 177.584 -0.054 0.000 1.124 300 A CA 2.372 54.368 52.037 -0.069 0.000 0.999 300 A CB -2.621 16.345 19.000 -0.057 0.000 1.067 300 A HN 0.462 nan 8.150 nan 0.000 0.815 301 D N -0.376 119.997 120.400 -0.044 0.000 2.388 301 D HA 0.569 5.218 4.640 0.016 0.000 0.221 301 D C 0.379 176.660 176.300 -0.033 0.000 1.133 301 D CA 0.342 54.323 54.000 -0.031 0.000 0.831 301 D CB -0.104 40.684 40.800 -0.019 0.000 0.962 301 D HN 0.628 nan 8.370 nan 0.000 0.502 302 L N 0.724 121.915 121.223 -0.053 0.000 2.455 302 L HA 0.243 4.592 4.340 0.016 0.000 0.272 302 L C -0.888 175.952 176.870 -0.051 0.000 1.174 302 L CA -0.971 53.833 54.840 -0.061 0.000 0.869 302 L CB 1.017 43.011 42.059 -0.109 0.000 1.130 302 L HN 0.186 nan 8.230 nan 0.000 0.474 303 P HA 0.013 nan 4.420 nan 0.000 0.206 303 P C -0.200 177.089 177.300 -0.018 0.000 1.085 303 P CA 0.072 63.166 63.100 -0.010 0.000 0.746 303 P CB 0.262 31.972 31.700 0.016 0.000 0.586 304 S N -3.446 112.259 115.700 0.007 0.000 2.615 304 S HA 0.310 4.790 4.470 0.016 0.000 0.268 304 S C -0.053 174.599 174.600 0.086 0.000 1.146 304 S CA -0.723 57.485 58.200 0.014 0.000 0.818 304 S CB -0.135 63.089 63.200 0.040 0.000 1.111 304 S HN 0.029 nan 8.310 nan 0.000 0.465 305 L N 1.677 122.979 121.223 0.132 0.000 2.357 305 L HA 0.326 4.675 4.340 0.016 0.000 0.211 305 L C 2.712 179.867 176.870 0.476 0.000 1.075 305 L CA 0.986 56.015 54.840 0.315 0.000 0.830 305 L CB -0.634 41.501 42.059 0.127 0.000 0.996 305 L HN 0.864 nan 8.230 nan 0.000 0.467 306 A N 0.363 123.401 122.820 0.365 0.000 2.125 306 A HA -0.128 4.201 4.320 0.016 0.000 0.219 306 A C 2.415 180.007 177.584 0.012 0.000 1.156 306 A CA 1.580 53.575 52.037 -0.069 0.000 0.671 306 A CB -0.407 18.555 19.000 -0.065 0.000 0.794 306 A HN 0.399 nan 8.150 nan 0.000 0.459 307 A N -0.485 122.396 122.820 0.102 0.000 1.872 307 A HA -0.109 4.220 4.320 0.016 0.000 0.214 307 A C 1.812 179.431 177.584 0.057 0.000 1.187 307 A CA 1.674 53.752 52.037 0.068 0.000 0.614 307 A CB -0.283 18.757 19.000 0.067 0.000 0.826 307 A HN 0.402 nan 8.150 nan 0.000 0.442 308 D N -2.166 118.289 120.400 0.091 0.000 2.366 308 D HA 0.145 4.794 4.640 0.016 0.000 0.205 308 D C 0.505 176.573 176.300 -0.386 0.000 1.022 308 D CA 0.605 54.523 54.000 -0.136 0.000 0.868 308 D CB 0.188 40.859 40.800 -0.216 0.000 0.953 308 D HN 0.454 nan 8.370 nan 0.000 0.514 309 F N -0.788 119.260 119.950 0.163 0.000 2.728 309 F HA 0.147 4.684 4.527 0.015 0.000 0.314 309 F C 1.784 177.666 175.800 0.137 0.000 1.094 309 F CA -0.013 58.123 58.000 0.227 0.000 1.217 309 F CB 0.755 39.901 39.000 0.244 0.000 1.056 309 F HN -0.218 nan 8.300 nan 0.000 0.577 310 V N -1.502 118.475 119.914 0.105 0.000 3.371 310 V HA 0.097 4.226 4.120 0.016 0.000 0.246 310 V C 1.435 177.642 176.094 0.188 0.000 1.303 310 V CA 0.607 62.943 62.300 0.059 0.000 1.156 310 V CB 0.649 32.218 31.823 -0.424 0.000 0.929 310 V HN 0.085 nan 8.190 nan 0.000 0.459 311 E N 0.499 120.751 120.200 0.087 0.000 2.402 311 E HA 0.101 4.461 4.350 0.016 0.000 0.261 311 E C 0.852 177.514 176.600 0.104 0.000 0.823 311 E CA 0.688 57.128 56.400 0.066 0.000 1.205 311 E CB -0.184 29.524 29.700 0.014 0.000 1.431 311 E HN 0.301 nan 8.360 nan 0.000 0.518 312 S N 1.423 117.156 115.700 0.055 0.000 4.575 312 S HA -0.163 4.316 4.470 0.016 0.000 0.533 312 S C -0.024 174.617 174.600 0.069 0.000 0.829 312 S CA 0.493 58.718 58.200 0.041 0.000 1.281 312 S CB -1.094 62.113 63.200 0.012 0.000 1.614 312 S HN 0.353 nan 8.310 nan 0.000 0.423 313 K N 3.452 123.888 120.400 0.060 0.000 2.344 313 K HA 0.224 4.553 4.320 0.016 0.000 0.260 313 K C 0.753 177.373 176.600 0.034 0.000 0.988 313 K CA 0.439 56.769 56.287 0.072 0.000 0.909 313 K CB -0.251 32.270 32.500 0.036 0.000 0.968 313 K HN 0.903 nan 8.250 nan 0.000 0.505 314 D N -1.290 119.122 120.400 0.019 0.000 3.108 314 D HA -0.149 4.501 4.640 0.016 0.000 0.214 314 D C 0.591 176.841 176.300 -0.085 0.000 1.098 314 D CA 0.979 54.960 54.000 -0.030 0.000 0.901 314 D CB -1.798 38.985 40.800 -0.028 0.000 1.091 314 D HN 0.465 nan 8.370 nan 0.000 0.435 315 V N -0.725 119.138 119.914 -0.085 0.000 2.685 315 V HA -0.091 4.039 4.120 0.016 0.000 0.244 315 V C 2.199 178.081 176.094 -0.353 0.000 1.054 315 V CA 1.808 63.983 62.300 -0.209 0.000 1.076 315 V CB 0.284 32.014 31.823 -0.155 0.000 0.725 315 V HN 0.541 nan 8.190 nan 0.000 0.467 316 c N 0.779 119.266 118.600 -0.188 0.000 2.446 316 c HA 0.064 4.644 4.570 0.016 0.000 0.279 316 c C 3.038 177.060 174.090 -0.115 0.000 1.366 316 c CA 1.227 57.495 56.329 -0.103 0.000 1.763 316 c CB -1.110 41.392 42.510 -0.014 0.000 1.929 316 c HN 0.716 nan 8.230 nan 0.000 0.509 317 K N 1.085 121.406 120.400 -0.132 0.000 2.007 317 K HA -0.130 4.199 4.320 0.016 0.000 0.206 317 K C 1.517 178.004 176.600 -0.188 0.000 1.047 317 K CA 1.955 58.168 56.287 -0.123 0.000 0.937 317 K CB -1.174 31.274 32.500 -0.086 0.000 0.718 317 K HN 0.692 nan 8.250 nan 0.000 0.438 318 N N -1.155 117.376 118.700 -0.282 0.000 2.381 318 N HA -0.052 4.698 4.740 0.016 0.000 0.182 318 N C 1.695 176.875 175.510 -0.550 0.000 1.025 318 N CA 1.095 53.929 53.050 -0.359 0.000 0.888 318 N CB -0.123 38.145 38.487 -0.366 0.000 0.965 318 N HN 0.574 nan 8.380 nan 0.000 0.438 319 Y N 0.957 120.740 120.300 -0.862 0.000 2.269 319 Y HA 0.180 4.740 4.550 0.018 0.000 0.294 319 Y C 2.098 177.834 175.900 -0.274 0.000 1.120 319 Y CA 0.914 58.585 58.100 -0.716 0.000 1.159 319 Y CB -0.471 37.599 38.460 -0.650 0.000 1.024 319 Y HN -0.002 nan 8.280 nan 0.000 0.532 320 A N 0.140 122.735 122.820 -0.375 0.000 2.014 320 A HA -0.134 4.196 4.320 0.016 0.000 0.218 320 A C 2.129 179.562 177.584 -0.251 0.000 1.163 320 A CA 1.455 53.269 52.037 -0.371 0.000 0.652 320 A CB -0.795 18.082 19.000 -0.204 0.000 0.808 320 A HN 0.635 nan 8.150 nan 0.000 0.449 321 E N -0.203 119.884 120.200 -0.189 0.000 2.106 321 E HA 0.073 4.432 4.350 0.016 0.000 0.192 321 E C 0.522 177.073 176.600 -0.080 0.000 0.984 321 E CA 1.217 57.550 56.400 -0.112 0.000 0.806 321 E CB -0.097 29.552 29.700 -0.085 0.000 0.750 321 E HN 0.476 nan 8.360 nan 0.000 0.458 322 A N 0.176 122.948 122.820 -0.079 0.000 3.200 322 A HA 0.219 4.548 4.320 0.016 0.000 0.274 322 A C 0.277 177.882 177.584 0.035 0.000 1.220 322 A CA -0.553 51.482 52.037 -0.004 0.000 0.904 322 A CB 0.282 19.319 19.000 0.062 0.000 1.415 322 A HN 0.084 nan 8.150 nan 0.000 0.630 323 K N 0.210 120.544 120.400 -0.109 0.000 2.071 323 K HA -0.261 4.068 4.320 0.016 0.000 0.217 323 K C 0.925 177.670 176.600 0.243 0.000 1.054 323 K CA 2.326 58.543 56.287 -0.116 0.000 0.937 323 K CB 0.011 32.351 32.500 -0.268 0.000 0.719 323 K HN 0.657 nan 8.250 nan 0.000 0.454 324 D N 0.107 120.618 120.400 0.185 0.000 2.085 324 D HA -0.092 4.558 4.640 0.016 0.000 0.199 324 D C 2.103 178.577 176.300 0.290 0.000 0.981 324 D CA 0.998 55.139 54.000 0.235 0.000 0.834 324 D CB -0.408 40.495 40.800 0.173 0.000 0.992 324 D HN -0.053 nan 8.370 nan 0.000 0.457 325 V N 1.392 121.466 119.914 0.267 0.000 2.380 325 V HA -0.268 3.862 4.120 0.016 0.000 0.251 325 V C 2.235 178.495 176.094 0.276 0.000 1.063 325 V CA 1.363 63.843 62.300 0.300 0.000 1.055 325 V CB -0.675 31.294 31.823 0.243 0.000 0.657 325 V HN 0.057 nan 8.190 nan 0.000 0.455 326 F N 0.464 120.525 119.950 0.185 0.000 2.051 326 F HA -0.163 4.372 4.527 0.014 0.000 0.296 326 F C 2.101 178.131 175.800 0.382 0.000 1.122 326 F CA 1.669 59.820 58.000 0.252 0.000 1.201 326 F CB -0.452 38.739 39.000 0.318 0.000 0.978 326 F HN 0.010 nan 8.300 nan 0.000 0.472 327 L N -0.183 121.289 121.223 0.414 0.000 2.042 327 L HA -0.177 4.172 4.340 0.016 0.000 0.210 327 L C 2.772 179.824 176.870 0.304 0.000 1.076 327 L CA 1.464 56.509 54.840 0.342 0.000 0.749 327 L CB -1.462 40.807 42.059 0.350 0.000 0.893 327 L HN 0.349 nan 8.230 nan 0.000 0.432 328 G N -0.797 108.192 108.800 0.313 0.000 2.442 328 G HA2 -0.315 3.655 3.960 0.016 0.000 0.219 328 G HA3 -0.315 3.655 3.960 0.016 0.000 0.219 328 G C 1.627 176.785 174.900 0.431 0.000 1.141 328 G CA 0.805 46.139 45.100 0.389 0.000 0.763 328 G HN 0.211 nan 8.290 nan 0.000 0.554 329 M N -0.873 118.811 119.600 0.140 0.000 2.132 329 M HA 0.103 4.593 4.480 0.016 0.000 0.263 329 M C 2.148 178.506 176.300 0.098 0.000 1.065 329 M CA 1.039 56.316 55.300 -0.038 0.000 1.122 329 M CB -0.209 32.286 32.600 -0.176 0.000 1.365 329 M HN 0.263 nan 8.290 nan 0.000 0.411 330 F N 0.669 120.505 119.950 -0.191 0.000 2.069 330 F HA -0.269 4.267 4.527 0.014 0.000 0.298 330 F C 1.798 177.440 175.800 -0.263 0.000 1.113 330 F CA 1.772 59.420 58.000 -0.585 0.000 1.214 330 F CB -0.533 38.205 39.000 -0.437 0.000 0.978 330 F HN 0.001 nan 8.300 nan 0.000 0.474 331 L N -0.907 120.304 121.223 -0.019 0.000 1.944 331 L HA -0.310 4.040 4.340 0.016 0.000 0.218 331 L C 2.525 179.353 176.870 -0.069 0.000 1.075 331 L CA 2.221 57.014 54.840 -0.078 0.000 0.767 331 L CB -1.276 40.817 42.059 0.057 0.000 0.890 331 L HN 0.328 nan 8.230 nan 0.000 0.434 332 Y N 1.086 121.390 120.300 0.005 0.000 2.062 332 Y HA -0.374 4.186 4.550 0.016 0.000 0.273 332 Y C 2.605 178.465 175.900 -0.066 0.000 1.206 332 Y CA 2.167 60.296 58.100 0.048 0.000 1.125 332 Y CB -0.332 38.328 38.460 0.333 0.000 0.951 332 Y HN 0.216 nan 8.280 nan 0.000 0.501 333 E N -0.713 119.340 120.200 -0.244 0.000 2.031 333 E HA -0.246 4.114 4.350 0.016 0.000 0.193 333 E C 2.163 178.460 176.600 -0.504 0.000 0.994 333 E CA 1.756 57.892 56.400 -0.441 0.000 0.800 333 E CB -1.031 28.470 29.700 -0.332 0.000 0.752 333 E HN 0.644 nan 8.360 nan 0.000 0.447 334 Y N 1.028 120.923 120.300 -0.675 0.000 2.200 334 Y HA -0.130 4.430 4.550 0.017 0.000 0.290 334 Y C 2.289 177.929 175.900 -0.433 0.000 1.137 334 Y CA 1.039 58.765 58.100 -0.623 0.000 1.163 334 Y CB -0.644 37.292 38.460 -0.872 0.000 0.988 334 Y HN 0.023 nan 8.280 nan 0.000 0.518 335 A N 1.167 123.884 122.820 -0.171 0.000 1.849 335 A HA -0.304 4.026 4.320 0.016 0.000 0.217 335 A C 2.298 179.744 177.584 -0.231 0.000 1.202 335 A CA 2.681 54.611 52.037 -0.177 0.000 0.629 335 A CB -1.028 17.854 19.000 -0.197 0.000 0.834 335 A HN 0.588 nan 8.150 nan 0.000 0.447 336 R N -0.589 119.720 120.500 -0.317 0.000 2.170 336 R HA -0.133 4.217 4.340 0.016 0.000 0.242 336 R C 1.836 177.940 176.300 -0.327 0.000 1.145 336 R CA 1.897 57.803 56.100 -0.323 0.000 0.984 336 R CB -0.402 29.646 30.300 -0.420 0.000 0.869 336 R HN 0.472 nan 8.270 nan 0.000 0.455 337 R N -0.436 119.822 120.500 -0.402 0.000 2.297 337 R HA 0.097 4.446 4.340 0.016 0.000 0.197 337 R C -0.022 175.848 176.300 -0.717 0.000 0.943 337 R CA 0.314 56.099 56.100 -0.526 0.000 1.038 337 R CB 0.324 30.247 30.300 -0.628 0.000 0.957 337 R HN 0.324 nan 8.270 nan 0.000 0.484 338 H N -0.731 118.131 119.070 -0.346 0.000 2.429 338 H HA 0.187 4.754 4.556 0.018 0.000 0.231 338 H C -2.173 172.973 175.328 -0.303 0.000 1.416 338 H CA -2.189 53.598 56.048 -0.435 0.000 1.443 338 H CB 1.510 30.806 29.762 -0.776 0.000 1.591 338 H HN -0.040 nan 8.280 nan 0.000 0.507 339 P HA -0.072 nan 4.420 nan 0.000 0.230 339 P C 0.953 178.219 177.300 -0.057 0.000 1.158 339 P CA 0.897 63.932 63.100 -0.108 0.000 0.769 339 P CB 0.225 31.857 31.700 -0.113 0.000 0.807 340 D N -3.700 116.688 120.400 -0.020 0.000 2.340 340 D HA -0.088 4.562 4.640 0.016 0.000 0.220 340 D C 0.293 176.702 176.300 0.182 0.000 1.039 340 D CA 0.111 54.142 54.000 0.051 0.000 0.866 340 D CB -0.375 40.465 40.800 0.068 0.000 0.913 340 D HN 0.010 nan 8.370 nan 0.000 0.523 341 Y N 1.286 121.536 120.300 -0.083 0.000 2.432 341 Y HA 0.425 4.987 4.550 0.019 0.000 0.322 341 Y C 0.814 176.631 175.900 -0.139 0.000 1.246 341 Y CA -2.668 55.347 58.100 -0.140 0.000 1.268 341 Y CB 1.358 39.699 38.460 -0.197 0.000 1.276 341 Y HN -0.039 nan 8.280 nan 0.000 0.499 342 S N -0.514 115.174 115.700 -0.019 0.000 2.554 342 S HA 0.308 4.788 4.470 0.016 0.000 0.278 342 S C 0.869 175.421 174.600 -0.081 0.000 1.242 342 S CA -0.764 57.398 58.200 -0.063 0.000 1.051 342 S CB 1.308 64.460 63.200 -0.079 0.000 0.986 342 S HN 0.410 nan 8.310 nan 0.000 0.502 343 V N 2.762 122.620 119.914 -0.094 0.000 2.317 343 V HA -0.256 3.873 4.120 0.016 0.000 0.251 343 V C 2.610 178.655 176.094 -0.082 0.000 1.065 343 V CA 2.411 64.626 62.300 -0.142 0.000 1.049 343 V CB -1.315 30.380 31.823 -0.215 0.000 0.651 343 V HN 0.921 nan 8.190 nan 0.000 0.450 344 V N -1.362 118.536 119.914 -0.026 0.000 2.343 344 V HA -0.233 3.896 4.120 0.016 0.000 0.247 344 V C 2.385 178.406 176.094 -0.122 0.000 1.051 344 V CA 2.089 64.362 62.300 -0.046 0.000 1.036 344 V CB -1.109 30.688 31.823 -0.043 0.000 0.654 344 V HN 0.461 nan 8.190 nan 0.000 0.451 345 L N 0.302 121.428 121.223 -0.163 0.000 2.013 345 L HA -0.151 4.198 4.340 0.016 0.000 0.212 345 L C 2.354 179.049 176.870 -0.292 0.000 1.073 345 L CA 1.990 56.674 54.840 -0.260 0.000 0.753 345 L CB -0.877 40.960 42.059 -0.369 0.000 0.890 345 L HN 0.311 nan 8.230 nan 0.000 0.432 346 L N -1.269 119.814 121.223 -0.234 0.000 2.046 346 L HA -0.243 4.106 4.340 0.016 0.000 0.208 346 L C 2.527 179.243 176.870 -0.256 0.000 1.077 346 L CA 1.361 56.030 54.840 -0.285 0.000 0.747 346 L CB -0.511 41.420 42.059 -0.214 0.000 0.896 346 L HN 0.318 nan 8.230 nan 0.000 0.432 347 L N -0.932 120.192 121.223 -0.165 0.000 2.275 347 L HA -0.162 4.187 4.340 0.016 0.000 0.215 347 L C 2.665 179.463 176.870 -0.120 0.000 1.119 347 L CA 0.833 55.612 54.840 -0.103 0.000 0.790 347 L CB -0.443 41.583 42.059 -0.054 0.000 0.919 347 L HN 0.201 nan 8.230 nan 0.000 0.443 348 R N -0.071 120.326 120.500 -0.170 0.000 2.148 348 R HA -0.044 4.305 4.340 0.016 0.000 0.223 348 R C 2.180 178.345 176.300 -0.224 0.000 1.088 348 R CA 0.911 56.909 56.100 -0.169 0.000 0.985 348 R CB 0.035 30.225 30.300 -0.183 0.000 0.880 348 R HN 0.351 nan 8.270 nan 0.000 0.451 349 L N -0.865 120.137 121.223 -0.367 0.000 2.102 349 L HA 0.034 4.384 4.340 0.016 0.000 0.202 349 L C 2.574 179.280 176.870 -0.273 0.000 1.076 349 L CA 0.833 55.303 54.840 -0.617 0.000 0.761 349 L CB -0.544 40.837 42.059 -1.130 0.000 0.921 349 L HN 0.177 nan 8.230 nan 0.000 0.444 350 A N 0.748 123.527 122.820 -0.068 0.000 1.917 350 A HA -0.303 4.026 4.320 0.016 0.000 0.219 350 A C 2.295 179.941 177.584 0.103 0.000 1.182 350 A CA 2.385 54.523 52.037 0.169 0.000 0.633 350 A CB -0.461 18.640 19.000 0.167 0.000 0.819 350 A HN 0.291 nan 8.150 nan 0.000 0.448 351 K N -0.896 119.525 120.400 0.035 0.000 2.057 351 K HA -0.084 4.246 4.320 0.016 0.000 0.206 351 K C 2.032 178.666 176.600 0.057 0.000 1.050 351 K CA 2.100 58.411 56.287 0.041 0.000 0.935 351 K CB -0.789 31.716 32.500 0.008 0.000 0.715 351 K HN 0.340 nan 8.250 nan 0.000 0.439 352 T N 0.020 114.610 114.554 0.060 0.000 2.684 352 T HA -0.188 4.171 4.350 0.016 0.000 0.267 352 T C 1.329 176.155 174.700 0.210 0.000 1.036 352 T CA 1.667 63.849 62.100 0.138 0.000 1.148 352 T CB -0.541 68.443 68.868 0.194 0.000 0.863 352 T HN 0.324 nan 8.240 nan 0.000 0.436 353 Y N 1.968 122.305 120.300 0.062 0.000 2.097 353 Y HA -0.166 4.391 4.550 0.012 0.000 0.282 353 Y C 2.508 178.330 175.900 -0.131 0.000 1.152 353 Y CA 1.995 60.060 58.100 -0.059 0.000 1.136 353 Y CB -0.634 37.571 38.460 -0.426 0.000 0.975 353 Y HN 0.399 nan 8.280 nan 0.000 0.498 354 E N -0.969 119.191 120.200 -0.068 0.000 2.049 354 E HA -0.249 4.110 4.350 0.016 0.000 0.198 354 E C 2.046 178.590 176.600 -0.095 0.000 1.007 354 E CA 2.408 58.740 56.400 -0.113 0.000 0.809 354 E CB -0.533 29.197 29.700 0.050 0.000 0.749 354 E HN 0.429 nan 8.360 nan 0.000 0.450 355 T N -0.065 114.480 114.554 -0.014 0.000 2.665 355 T HA -0.183 4.177 4.350 0.016 0.000 0.268 355 T C 1.900 176.589 174.700 -0.019 0.000 1.035 355 T CA 1.935 64.039 62.100 0.008 0.000 1.151 355 T CB -0.585 68.305 68.868 0.037 0.000 0.862 355 T HN 0.300 nan 8.240 nan 0.000 0.438 356 T N 2.076 116.609 114.554 -0.034 0.000 2.674 356 T HA 0.063 4.422 4.350 0.016 0.000 0.265 356 T C 1.966 176.592 174.700 -0.123 0.000 1.039 356 T CA 0.750 62.830 62.100 -0.035 0.000 1.150 356 T CB -0.427 68.454 68.868 0.023 0.000 0.864 356 T HN 0.217 nan 8.240 nan 0.000 0.427 357 L N 1.019 122.038 121.223 -0.340 0.000 2.081 357 L HA -0.130 4.219 4.340 0.016 0.000 0.212 357 L C 2.692 179.460 176.870 -0.171 0.000 1.080 357 L CA 1.429 55.987 54.840 -0.471 0.000 0.754 357 L CB -0.537 40.874 42.059 -1.080 0.000 0.893 357 L HN 0.329 nan 8.230 nan 0.000 0.433 358 E N 0.161 120.323 120.200 -0.064 0.000 2.347 358 E HA -0.135 4.224 4.350 0.016 0.000 0.196 358 E C 1.770 178.392 176.600 0.037 0.000 1.008 358 E CA 1.151 57.585 56.400 0.057 0.000 0.852 358 E CB 0.090 29.835 29.700 0.074 0.000 0.783 358 E HN 0.480 nan 8.360 nan 0.000 0.505 359 K N -0.273 120.136 120.400 0.016 0.000 2.455 359 K HA 0.236 4.566 4.320 0.016 0.000 0.206 359 K C 1.268 177.891 176.600 0.037 0.000 1.027 359 K CA 0.026 56.329 56.287 0.028 0.000 1.113 359 K CB -0.648 31.868 32.500 0.027 0.000 0.850 359 K HN 0.074 nan 8.250 nan 0.000 0.503 360 c N -2.281 116.347 118.600 0.046 0.000 3.721 360 c HA 0.117 4.696 4.570 0.016 0.000 0.562 360 c C 2.116 176.265 174.090 0.098 0.000 1.399 360 c CA 0.159 56.541 56.329 0.088 0.000 2.478 360 c CB -0.040 42.575 42.510 0.174 0.000 3.668 360 c HN 0.726 nan 8.230 nan 0.000 0.565 361 c N 1.957 120.600 118.600 0.072 0.000 2.511 361 c HA 0.325 4.905 4.570 0.016 0.000 0.277 361 c C 1.754 175.876 174.090 0.053 0.000 1.451 361 c CA 0.898 57.270 56.329 0.072 0.000 1.735 361 c CB -1.954 40.603 42.510 0.078 0.000 1.704 361 c HN 0.665 nan 8.230 nan 0.000 0.571 362 A N -0.015 122.833 122.820 0.046 0.000 2.985 362 A HA 0.763 5.093 4.320 0.016 0.000 0.303 362 A C 0.191 177.791 177.584 0.026 0.000 1.048 362 A CA 0.317 52.372 52.037 0.031 0.000 1.016 362 A CB -0.223 18.794 19.000 0.029 0.000 1.118 362 A HN 0.474 nan 8.150 nan 0.000 0.529 363 A N -0.980 121.856 122.820 0.028 0.000 2.609 363 A HA 0.794 5.124 4.320 0.016 0.000 0.291 363 A C 0.975 178.566 177.584 0.012 0.000 1.096 363 A CA 0.056 52.104 52.037 0.018 0.000 0.684 363 A CB 0.094 19.106 19.000 0.019 0.000 1.282 363 A HN 1.441 nan 8.150 nan 0.000 0.412 364 A N 0.355 123.177 122.820 0.003 0.000 1.885 364 A HA -0.102 4.228 4.320 0.016 0.000 0.215 364 A C 0.873 178.453 177.584 -0.007 0.000 1.255 364 A CA 2.477 54.512 52.037 -0.003 0.000 0.692 364 A CB -0.673 18.323 19.000 -0.008 0.000 0.842 364 A HN 0.852 nan 8.150 nan 0.000 0.465 365 D N -0.887 119.502 120.400 -0.019 0.000 2.485 365 D HA 0.423 5.072 4.640 0.016 0.000 0.221 365 D C -1.829 174.441 176.300 -0.051 0.000 1.112 365 D CA -2.115 51.864 54.000 -0.035 0.000 0.911 365 D CB 0.940 41.710 40.800 -0.049 0.000 1.019 365 D HN 0.026 nan 8.370 nan 0.000 0.516 366 P HA -0.139 nan 4.420 nan 0.000 0.215 366 P C 1.576 178.732 177.300 -0.240 0.000 1.157 366 P CA 2.044 65.156 63.100 0.021 0.000 0.863 366 P CB -0.050 31.750 31.700 0.166 0.000 0.787 367 H N -0.760 118.150 119.070 -0.267 0.000 2.407 367 H HA -0.153 4.413 4.556 0.016 0.000 0.293 367 H C 1.771 176.711 175.328 -0.646 0.000 1.122 367 H CA 2.372 58.093 56.048 -0.546 0.000 1.232 367 H CB -1.677 27.961 29.762 -0.207 0.000 1.361 367 H HN 0.397 nan 8.280 nan 0.000 0.498 368 E N -0.895 119.082 120.200 -0.373 0.000 2.444 368 E HA 0.346 4.706 4.350 0.016 0.000 0.191 368 E C 1.931 178.395 176.600 -0.226 0.000 1.041 368 E CA 0.578 56.817 56.400 -0.267 0.000 0.883 368 E CB -0.991 28.618 29.700 -0.151 0.000 1.024 368 E HN 0.875 nan 8.360 nan 0.000 0.470 369 c N -0.456 117.980 118.600 -0.272 0.000 2.525 369 c HA 0.222 4.801 4.570 0.016 0.000 0.291 369 c C 1.802 175.870 174.090 -0.037 0.000 1.351 369 c CA 1.150 57.416 56.329 -0.105 0.000 1.771 369 c CB -0.618 41.885 42.510 -0.012 0.000 2.177 369 c HN 0.828 nan 8.230 nan 0.000 0.510 370 Y N -0.230 120.053 120.300 -0.029 0.000 2.658 370 Y HA 0.680 5.237 4.550 0.012 0.000 0.276 370 Y C 1.277 177.154 175.900 -0.037 0.000 1.167 370 Y CA 0.108 58.193 58.100 -0.026 0.000 1.230 370 Y CB -1.087 37.352 38.460 -0.035 0.000 1.144 370 Y HN 0.107 nan 8.280 nan 0.000 0.529 371 A N 0.502 123.252 122.820 -0.118 0.000 2.278 371 A HA 0.389 4.719 4.320 0.016 0.000 0.212 371 A C 1.805 179.357 177.584 -0.053 0.000 1.213 371 A CA 0.671 52.646 52.037 -0.104 0.000 0.840 371 A CB -0.590 18.305 19.000 -0.176 0.000 0.866 371 A HN 0.427 nan 8.150 nan 0.000 0.489 372 K N -1.040 119.354 120.400 -0.010 0.000 2.402 372 K HA 0.547 4.876 4.320 0.016 0.000 0.204 372 K C 1.382 177.995 176.600 0.023 0.000 1.056 372 K CA 0.645 56.935 56.287 0.005 0.000 1.069 372 K CB -0.788 31.718 32.500 0.010 0.000 0.888 372 K HN 0.145 nan 8.250 nan 0.000 0.546 373 V N 0.556 120.491 119.914 0.034 0.000 2.220 373 V HA -0.252 3.877 4.120 0.016 0.000 0.250 373 V C 2.190 178.184 176.094 -0.167 0.000 1.056 373 V CA 2.341 64.650 62.300 0.015 0.000 1.016 373 V CB -0.661 31.233 31.823 0.119 0.000 0.639 373 V HN 0.613 nan 8.190 nan 0.000 0.446 374 F N 0.537 120.196 119.950 -0.484 0.000 2.147 374 F HA -0.228 4.306 4.527 0.012 0.000 0.301 374 F C 2.364 177.994 175.800 -0.284 0.000 1.084 374 F CA 1.684 59.314 58.000 -0.617 0.000 1.268 374 F CB -1.191 37.671 39.000 -0.230 0.000 1.009 374 F HN 0.291 nan 8.300 nan 0.000 0.486 375 D N -0.125 120.315 120.400 0.067 0.000 2.221 375 D HA -0.155 4.495 4.640 0.016 0.000 0.204 375 D C 1.966 178.314 176.300 0.081 0.000 0.982 375 D CA 0.978 55.022 54.000 0.074 0.000 0.857 375 D CB -0.273 40.562 40.800 0.058 0.000 0.934 375 D HN 0.443 nan 8.370 nan 0.000 0.475 376 E N -0.950 119.293 120.200 0.072 0.000 2.478 376 E HA -0.032 4.328 4.350 0.016 0.000 0.194 376 E C 1.232 178.029 176.600 0.327 0.000 1.045 376 E CA -0.080 56.414 56.400 0.158 0.000 0.868 376 E CB 0.175 29.973 29.700 0.163 0.000 0.885 376 E HN 0.228 nan 8.360 nan 0.000 0.505 377 F N 1.346 121.352 119.950 0.093 0.000 2.335 377 F HA 0.030 4.561 4.527 0.006 0.000 0.296 377 F C 2.172 177.970 175.800 -0.003 0.000 1.091 377 F CA 0.413 58.430 58.000 0.029 0.000 1.399 377 F CB -0.553 38.459 39.000 0.021 0.000 1.067 377 F HN -0.089 nan 8.300 nan 0.000 0.520 378 K N 0.726 121.258 120.400 0.219 0.000 2.015 378 K HA -0.218 4.112 4.320 0.016 0.000 0.220 378 K C -0.512 176.123 176.600 0.058 0.000 1.055 378 K CA 2.351 58.708 56.287 0.116 0.000 0.951 378 K CB -1.411 31.146 32.500 0.096 0.000 0.725 378 K HN 0.142 nan 8.250 nan 0.000 0.449 379 P HA -0.142 nan 4.420 nan 0.000 0.218 379 P C 1.428 178.720 177.300 -0.013 0.000 1.149 379 P CA 1.012 64.125 63.100 0.022 0.000 0.817 379 P CB 0.013 31.733 31.700 0.033 0.000 0.785 380 L N -0.750 120.465 121.223 -0.014 0.000 2.141 380 L HA -0.093 4.256 4.340 0.016 0.000 0.209 380 L C 2.640 179.411 176.870 -0.165 0.000 1.094 380 L CA 1.432 56.223 54.840 -0.081 0.000 0.763 380 L CB -1.308 40.696 42.059 -0.092 0.000 0.908 380 L HN -0.171 nan 8.230 nan 0.000 0.437 381 V N -1.033 118.780 119.914 -0.168 0.000 2.379 381 V HA -0.166 3.964 4.120 0.016 0.000 0.243 381 V C 2.243 178.213 176.094 -0.206 0.000 1.035 381 V CA 1.242 63.368 62.300 -0.289 0.000 1.035 381 V CB -0.402 31.282 31.823 -0.232 0.000 0.673 381 V HN 0.442 nan 8.190 nan 0.000 0.457 382 E N -0.070 120.069 120.200 -0.102 0.000 2.150 382 E HA -0.221 4.139 4.350 0.016 0.000 0.193 382 E C 2.169 178.732 176.600 -0.062 0.000 0.985 382 E CA 0.867 57.228 56.400 -0.065 0.000 0.814 382 E CB -0.113 29.573 29.700 -0.024 0.000 0.752 382 E HN 0.573 nan 8.360 nan 0.000 0.466 383 E N 1.340 121.501 120.200 -0.066 0.000 2.033 383 E HA -0.174 4.185 4.350 0.016 0.000 0.199 383 E C -0.575 175.993 176.600 -0.054 0.000 1.011 383 E CA 1.638 58.008 56.400 -0.049 0.000 0.815 383 E CB -0.835 28.836 29.700 -0.047 0.000 0.755 383 E HN 0.181 nan 8.360 nan 0.000 0.451 384 P HA -0.106 nan 4.420 nan 0.000 0.221 384 P C 1.414 178.671 177.300 -0.071 0.000 1.150 384 P CA 1.262 64.314 63.100 -0.081 0.000 0.800 384 P CB -0.147 31.478 31.700 -0.125 0.000 0.787 385 Q N -0.549 119.199 119.800 -0.087 0.000 2.079 385 Q HA -0.116 4.234 4.340 0.016 0.000 0.200 385 Q C 2.098 178.083 176.000 -0.026 0.000 0.974 385 Q CA 1.204 56.972 55.803 -0.058 0.000 0.840 385 Q CB -0.290 28.412 28.738 -0.060 0.000 0.898 385 Q HN 0.229 nan 8.270 nan 0.000 0.430 386 N N 0.460 119.148 118.700 -0.021 0.000 2.106 386 N HA -0.094 4.655 4.740 0.016 0.000 0.188 386 N C 1.773 177.287 175.510 0.006 0.000 1.029 386 N CA 0.796 53.844 53.050 -0.003 0.000 0.848 386 N CB -0.284 38.203 38.487 -0.001 0.000 1.007 386 N HN 0.176 nan 8.380 nan 0.000 0.423 387 L N 0.697 121.923 121.223 0.005 0.000 2.043 387 L HA -0.201 4.148 4.340 0.016 0.000 0.212 387 L C 1.966 178.854 176.870 0.030 0.000 1.075 387 L CA 0.953 55.807 54.840 0.024 0.000 0.752 387 L CB -0.402 41.671 42.059 0.023 0.000 0.891 387 L HN 0.174 nan 8.230 nan 0.000 0.432 388 I N 0.387 120.963 120.570 0.010 0.000 2.090 388 I HA -0.313 3.867 4.170 0.016 0.000 0.236 388 I C 3.078 179.201 176.117 0.009 0.000 1.064 388 I CA 1.995 63.298 61.300 0.006 0.000 1.324 388 I CB -1.571 36.423 38.000 -0.010 0.000 1.044 388 I HN 0.198 nan 8.210 nan 0.000 0.399 389 K N 0.728 121.133 120.400 0.008 0.000 1.980 389 K HA -0.293 4.036 4.320 0.016 0.000 0.223 389 K C 2.075 178.689 176.600 0.023 0.000 1.052 389 K CA 2.375 58.669 56.287 0.012 0.000 0.974 389 K CB -1.563 30.944 32.500 0.013 0.000 0.734 389 K HN 0.475 nan 8.250 nan 0.000 0.447 390 Q N 0.019 119.838 119.800 0.031 0.000 2.084 390 Q HA -0.267 4.082 4.340 0.016 0.000 0.215 390 Q C 2.292 178.336 176.000 0.073 0.000 1.020 390 Q CA 2.502 58.333 55.803 0.047 0.000 0.887 390 Q CB -0.233 28.533 28.738 0.047 0.000 0.975 390 Q HN 0.728 nan 8.270 nan 0.000 0.413 391 N N -0.989 117.765 118.700 0.090 0.000 2.331 391 N HA -0.095 4.654 4.740 0.016 0.000 0.180 391 N C 1.578 177.111 175.510 0.039 0.000 1.019 391 N CA 1.015 54.158 53.050 0.155 0.000 0.881 391 N CB -0.015 38.593 38.487 0.202 0.000 0.972 391 N HN 0.337 nan 8.380 nan 0.000 0.435 392 c N 0.531 119.122 118.600 -0.014 0.000 2.495 392 c HA 0.070 4.649 4.570 0.016 0.000 0.275 392 c C 2.542 176.635 174.090 0.005 0.000 1.392 392 c CA -0.056 56.230 56.329 -0.072 0.000 1.766 392 c CB -0.579 41.888 42.510 -0.071 0.000 1.933 392 c HN 0.473 nan 8.230 nan 0.000 0.519 393 E N 0.501 120.715 120.200 0.023 0.000 2.046 393 E HA -0.182 4.177 4.350 0.016 0.000 0.190 393 E C 2.022 178.645 176.600 0.037 0.000 0.982 393 E CA 0.837 57.257 56.400 0.033 0.000 0.800 393 E CB -0.123 29.597 29.700 0.033 0.000 0.756 393 E HN 0.423 nan 8.360 nan 0.000 0.449 394 L N 0.605 121.866 121.223 0.063 0.000 2.083 394 L HA -0.140 4.210 4.340 0.016 0.000 0.209 394 L C 1.986 178.872 176.870 0.026 0.000 1.083 394 L CA 1.552 56.453 54.840 0.102 0.000 0.752 394 L CB -0.682 41.521 42.059 0.240 0.000 0.899 394 L HN 0.202 nan 8.230 nan 0.000 0.433 395 F N 0.021 119.728 119.950 -0.406 0.000 2.494 395 F HA -0.131 4.406 4.527 0.016 0.000 0.298 395 F C 2.057 177.685 175.800 -0.286 0.000 1.106 395 F CA 1.393 58.959 58.000 -0.723 0.000 1.452 395 F CB -0.039 38.321 39.000 -1.067 0.000 1.085 395 F HN 0.283 nan 8.300 nan 0.000 0.569 396 E N -0.535 119.611 120.200 -0.091 0.000 2.166 396 E HA -0.114 4.245 4.350 0.016 0.000 0.192 396 E C 2.030 178.564 176.600 -0.110 0.000 0.967 396 E CA 0.474 56.816 56.400 -0.097 0.000 0.840 396 E CB -0.143 29.566 29.700 0.015 0.000 0.795 396 E HN 0.539 nan 8.360 nan 0.000 0.470 397 Q N 0.264 120.030 119.800 -0.058 0.000 2.234 397 Q HA -0.080 4.269 4.340 0.016 0.000 0.206 397 Q C 0.327 176.301 176.000 -0.044 0.000 0.980 397 Q CA 0.839 56.623 55.803 -0.030 0.000 0.869 397 Q CB -0.006 28.736 28.738 0.005 0.000 0.912 397 Q HN 0.172 nan 8.270 nan 0.000 0.436 398 L N -2.704 118.470 121.223 -0.081 0.000 2.376 398 L HA 0.622 4.971 4.340 0.016 0.000 0.258 398 L C 0.379 177.130 176.870 -0.200 0.000 1.013 398 L CA -1.258 53.541 54.840 -0.068 0.000 0.822 398 L CB 1.196 43.268 42.059 0.021 0.000 1.388 398 L HN -0.185 nan 8.230 nan 0.000 0.413 399 G N -0.584 108.132 108.800 -0.140 0.000 2.570 399 G HA2 0.135 4.105 3.960 0.016 0.000 0.276 399 G HA3 0.135 4.105 3.960 0.016 0.000 0.276 399 G C 0.461 175.224 174.900 -0.228 0.000 1.346 399 G CA 0.057 45.023 45.100 -0.224 0.000 1.034 399 G HN 0.901 nan 8.290 nan 0.000 0.512 400 E N -1.306 118.793 120.200 -0.169 0.000 2.038 400 E HA -0.255 4.104 4.350 0.016 0.000 0.195 400 E C 1.959 178.683 176.600 0.207 0.000 1.000 400 E CA 1.431 57.885 56.400 0.090 0.000 0.803 400 E CB -0.302 29.514 29.700 0.195 0.000 0.750 400 E HN 0.550 nan 8.360 nan 0.000 0.448 401 Y N 1.326 121.657 120.300 0.051 0.000 2.070 401 Y HA -0.285 4.275 4.550 0.017 0.000 0.280 401 Y C 2.664 178.591 175.900 0.045 0.000 1.148 401 Y CA 2.449 60.577 58.100 0.047 0.000 1.125 401 Y CB -0.563 37.912 38.460 0.024 0.000 0.975 401 Y HN -0.144 nan 8.280 nan 0.000 0.492 402 K N -0.093 120.350 120.400 0.072 0.000 2.147 402 K HA -0.173 4.157 4.320 0.016 0.000 0.205 402 K C 1.927 178.513 176.600 -0.025 0.000 1.049 402 K CA 1.318 57.587 56.287 -0.030 0.000 0.936 402 K CB -1.210 31.330 32.500 0.066 0.000 0.722 402 K HN 0.568 nan 8.250 nan 0.000 0.446 403 F N 1.681 121.565 119.950 -0.109 0.000 2.113 403 F HA -0.102 4.433 4.527 0.014 0.000 0.297 403 F C 2.260 178.022 175.800 -0.064 0.000 1.103 403 F CA 1.733 59.698 58.000 -0.058 0.000 1.248 403 F CB -0.555 38.454 39.000 0.015 0.000 0.999 403 F HN 0.189 nan 8.300 nan 0.000 0.475 404 Q N 0.128 119.837 119.800 -0.153 0.000 2.112 404 Q HA -0.258 4.091 4.340 0.016 0.000 0.206 404 Q C 1.809 177.622 176.000 -0.312 0.000 0.987 404 Q CA 1.840 57.490 55.803 -0.255 0.000 0.858 404 Q CB -0.460 28.202 28.738 -0.126 0.000 0.905 404 Q HN 0.430 nan 8.270 nan 0.000 0.420 405 N N 0.333 118.832 118.700 -0.335 0.000 2.244 405 N HA -0.101 4.649 4.740 0.016 0.000 0.183 405 N C 1.512 176.869 175.510 -0.254 0.000 1.016 405 N CA 1.215 54.084 53.050 -0.301 0.000 0.866 405 N CB -0.337 37.949 38.487 -0.336 0.000 0.980 405 N HN 0.270 nan 8.380 nan 0.000 0.430 406 A N 1.106 123.759 122.820 -0.277 0.000 1.898 406 A HA -0.031 4.299 4.320 0.016 0.000 0.216 406 A C 2.290 179.655 177.584 -0.364 0.000 1.181 406 A CA 0.856 52.733 52.037 -0.266 0.000 0.620 406 A CB -0.628 18.236 19.000 -0.225 0.000 0.819 406 A HN 0.198 nan 8.150 nan 0.000 0.442 407 L N -1.153 119.785 121.223 -0.476 0.000 2.056 407 L HA -0.139 4.210 4.340 0.016 0.000 0.207 407 L C 2.503 179.142 176.870 -0.385 0.000 1.078 407 L CA 0.564 55.075 54.840 -0.548 0.000 0.749 407 L CB -0.648 41.174 42.059 -0.396 0.000 0.901 407 L HN 0.296 nan 8.230 nan 0.000 0.433 408 L N -0.026 121.059 121.223 -0.230 0.000 1.971 408 L HA -0.225 4.125 4.340 0.016 0.000 0.215 408 L C 2.538 179.323 176.870 -0.141 0.000 1.072 408 L CA 1.796 56.557 54.840 -0.132 0.000 0.758 408 L CB -0.810 41.168 42.059 -0.135 0.000 0.889 408 L HN -0.027 nan 8.230 nan 0.000 0.433 409 V N -0.537 119.274 119.914 -0.171 0.000 2.392 409 V HA -0.308 3.821 4.120 0.016 0.000 0.249 409 V C 2.721 178.711 176.094 -0.173 0.000 1.059 409 V CA 1.970 64.184 62.300 -0.144 0.000 1.051 409 V CB -0.704 31.041 31.823 -0.131 0.000 0.658 409 V HN 0.481 nan 8.190 nan 0.000 0.455 410 R N -0.821 119.509 120.500 -0.284 0.000 2.070 410 R HA -0.181 4.169 4.340 0.016 0.000 0.233 410 R C 2.350 178.476 176.300 -0.290 0.000 1.137 410 R CA 2.067 57.949 56.100 -0.364 0.000 0.945 410 R CB -0.361 29.566 30.300 -0.621 0.000 0.845 410 R HN 0.504 nan 8.270 nan 0.000 0.430 411 Y N 0.078 120.323 120.300 -0.092 0.000 2.337 411 Y HA 0.008 4.566 4.550 0.013 0.000 0.293 411 Y C 2.448 178.295 175.900 -0.088 0.000 1.123 411 Y CA 1.155 59.205 58.100 -0.083 0.000 1.201 411 Y CB -0.702 37.699 38.460 -0.098 0.000 1.011 411 Y HN 0.088 nan 8.280 nan 0.000 0.545 412 T N 0.142 114.713 114.554 0.029 0.000 2.759 412 T HA -0.182 4.178 4.350 0.016 0.000 0.269 412 T C 1.840 176.487 174.700 -0.088 0.000 1.042 412 T CA 1.549 63.626 62.100 -0.038 0.000 1.140 412 T CB -0.141 68.691 68.868 -0.060 0.000 0.864 412 T HN 0.319 nan 8.240 nan 0.000 0.455 413 K N 0.618 120.973 120.400 -0.074 0.000 2.148 413 K HA -0.028 4.302 4.320 0.016 0.000 0.204 413 K C 2.412 178.978 176.600 -0.057 0.000 1.050 413 K CA 0.759 56.995 56.287 -0.085 0.000 0.942 413 K CB 0.042 32.503 32.500 -0.066 0.000 0.724 413 K HN 0.205 nan 8.250 nan 0.000 0.446 414 K N 0.568 120.969 120.400 0.002 0.000 1.973 414 K HA -0.063 4.266 4.320 0.016 0.000 0.210 414 K C 1.326 177.931 176.600 0.009 0.000 1.045 414 K CA 1.285 57.596 56.287 0.039 0.000 0.937 414 K CB -0.203 32.375 32.500 0.130 0.000 0.721 414 K HN 0.100 nan 8.250 nan 0.000 0.438 415 V N -0.343 119.572 119.914 0.001 0.000 2.260 415 V HA 0.231 4.360 4.120 0.016 0.000 0.263 415 V C -2.443 173.607 176.094 -0.074 0.000 1.036 415 V CA -1.646 60.645 62.300 -0.015 0.000 0.874 415 V CB 1.200 33.034 31.823 0.019 0.000 1.116 415 V HN -0.084 nan 8.190 nan 0.000 0.454 416 P HA -0.076 nan 4.420 nan 0.000 0.220 416 P C 1.449 178.651 177.300 -0.164 0.000 1.148 416 P CA 1.140 64.015 63.100 -0.376 0.000 0.803 416 P CB 0.287 31.312 31.700 -1.124 0.000 0.782 417 Q N -0.613 119.170 119.800 -0.028 0.000 2.181 417 Q HA -0.061 4.289 4.340 0.016 0.000 0.205 417 Q C 0.657 176.704 176.000 0.078 0.000 0.980 417 Q CA 0.647 56.511 55.803 0.103 0.000 0.862 417 Q CB -1.184 27.633 28.738 0.132 0.000 0.905 417 Q HN 0.122 nan 8.270 nan 0.000 0.429 418 V N 1.184 121.129 119.914 0.052 0.000 2.763 418 V HA -0.042 4.087 4.120 0.016 0.000 0.306 418 V C 0.609 176.723 176.094 0.034 0.000 1.059 418 V CA -0.247 62.087 62.300 0.057 0.000 1.138 418 V CB 1.202 33.047 31.823 0.037 0.000 0.940 418 V HN 0.194 nan 8.190 nan 0.000 0.489 419 S N 3.352 119.074 115.700 0.036 0.000 2.558 419 S HA -0.038 4.442 4.470 0.016 0.000 0.293 419 S C 1.525 176.128 174.600 0.005 0.000 1.292 419 S CA 0.277 58.489 58.200 0.020 0.000 1.063 419 S CB 0.568 63.778 63.200 0.017 0.000 0.831 419 S HN 0.937 nan 8.310 nan 0.000 0.499 420 T N 6.612 121.164 114.554 -0.002 0.000 2.684 420 T HA -0.060 4.299 4.350 0.016 0.000 0.267 420 T C -0.893 173.798 174.700 -0.015 0.000 1.036 420 T CA 1.513 63.604 62.100 -0.014 0.000 1.148 420 T CB -1.155 67.697 68.868 -0.026 0.000 0.863 420 T HN 0.677 nan 8.240 nan 0.000 0.436 421 P HA -0.017 nan 4.420 nan 0.000 0.222 421 P C 1.252 178.547 177.300 -0.007 0.000 1.147 421 P CA 1.102 64.197 63.100 -0.009 0.000 0.790 421 P CB -0.201 31.495 31.700 -0.007 0.000 0.780 422 T N 0.190 114.740 114.554 -0.006 0.000 2.852 422 T HA 0.062 4.422 4.350 0.016 0.000 0.256 422 T C 1.926 176.614 174.700 -0.020 0.000 1.038 422 T CA 0.626 62.721 62.100 -0.009 0.000 1.141 422 T CB -0.682 68.188 68.868 0.003 0.000 0.869 422 T HN 0.017 nan 8.240 nan 0.000 0.439 423 L N 1.000 122.212 121.223 -0.017 0.000 2.042 423 L HA -0.125 4.224 4.340 0.016 0.000 0.210 423 L C 2.590 179.450 176.870 -0.017 0.000 1.076 423 L CA 1.020 55.848 54.840 -0.019 0.000 0.749 423 L CB -0.714 41.338 42.059 -0.012 0.000 0.893 423 L HN 0.161 nan 8.230 nan 0.000 0.432 424 V N -0.247 119.657 119.914 -0.017 0.000 2.237 424 V HA -0.320 3.810 4.120 0.016 0.000 0.245 424 V C 2.468 178.555 176.094 -0.012 0.000 1.046 424 V CA 2.080 64.371 62.300 -0.016 0.000 1.007 424 V CB -0.519 31.298 31.823 -0.011 0.000 0.638 424 V HN 0.487 nan 8.190 nan 0.000 0.445 425 E N -0.130 120.063 120.200 -0.010 0.000 2.049 425 E HA -0.241 4.118 4.350 0.016 0.000 0.198 425 E C 2.289 178.877 176.600 -0.020 0.000 1.007 425 E CA 2.029 58.424 56.400 -0.009 0.000 0.809 425 E CB -0.168 29.527 29.700 -0.008 0.000 0.749 425 E HN 0.344 nan 8.360 nan 0.000 0.450 426 V N 0.474 120.365 119.914 -0.039 0.000 2.255 426 V HA -0.284 3.846 4.120 0.016 0.000 0.247 426 V C 2.397 178.460 176.094 -0.052 0.000 1.051 426 V CA 2.147 64.405 62.300 -0.071 0.000 1.018 426 V CB -0.434 31.317 31.823 -0.120 0.000 0.641 426 V HN 0.272 nan 8.190 nan 0.000 0.445 427 S N -1.110 114.577 115.700 -0.022 0.000 2.419 427 S HA -0.148 4.331 4.470 0.016 0.000 0.233 427 S C 1.988 176.582 174.600 -0.010 0.000 1.016 427 S CA 1.198 59.402 58.200 0.007 0.000 0.974 427 S CB -0.239 62.962 63.200 0.002 0.000 0.786 427 S HN 0.539 nan 8.310 nan 0.000 0.492 428 R N 1.240 121.738 120.500 -0.004 0.000 2.075 428 R HA 0.102 4.452 4.340 0.016 0.000 0.226 428 R C 1.860 178.177 176.300 0.028 0.000 1.114 428 R CA 1.041 57.151 56.100 0.018 0.000 0.972 428 R CB -0.346 29.969 30.300 0.024 0.000 0.869 428 R HN 0.348 nan 8.270 nan 0.000 0.437 429 N N 1.013 119.717 118.700 0.007 0.000 2.120 429 N HA -0.138 4.612 4.740 0.016 0.000 0.188 429 N C 1.753 177.266 175.510 0.005 0.000 1.024 429 N CA 1.014 54.063 53.050 -0.002 0.000 0.852 429 N CB -0.188 38.290 38.487 -0.015 0.000 1.003 429 N HN 0.042 nan 8.380 nan 0.000 0.424 430 L N 1.122 122.352 121.223 0.012 0.000 2.046 430 L HA -0.043 4.307 4.340 0.016 0.000 0.208 430 L C 2.433 179.378 176.870 0.126 0.000 1.077 430 L CA 1.490 56.357 54.840 0.045 0.000 0.747 430 L CB -1.451 40.638 42.059 0.049 0.000 0.896 430 L HN 0.176 nan 8.230 nan 0.000 0.432 431 G N -0.928 107.960 108.800 0.146 0.000 2.440 431 G HA2 -0.265 3.705 3.960 0.016 0.000 0.218 431 G HA3 -0.265 3.705 3.960 0.016 0.000 0.218 431 G C 1.719 176.780 174.900 0.269 0.000 1.154 431 G CA 0.676 45.982 45.100 0.344 0.000 0.767 431 G HN 0.354 nan 8.290 nan 0.000 0.552 432 K N 0.067 120.535 120.400 0.113 0.000 2.057 432 K HA -0.038 4.291 4.320 0.016 0.000 0.207 432 K C 2.567 179.092 176.600 -0.126 0.000 1.049 432 K CA 1.152 57.445 56.287 0.010 0.000 0.931 432 K CB -0.510 31.967 32.500 -0.038 0.000 0.714 432 K HN 0.227 nan 8.250 nan 0.000 0.440 433 V N 1.234 121.062 119.914 -0.145 0.000 2.332 433 V HA -0.226 3.903 4.120 0.016 0.000 0.248 433 V C 2.456 178.451 176.094 -0.165 0.000 1.055 433 V CA 2.249 64.410 62.300 -0.232 0.000 1.038 433 V CB -1.064 30.730 31.823 -0.048 0.000 0.651 433 V HN 0.525 nan 8.190 nan 0.000 0.450 434 G N -0.299 108.447 108.800 -0.089 0.000 2.422 434 G HA2 -0.274 3.696 3.960 0.016 0.000 0.218 434 G HA3 -0.274 3.696 3.960 0.016 0.000 0.218 434 G C 1.894 176.330 174.900 -0.774 0.000 1.146 434 G CA 1.381 46.310 45.100 -0.284 0.000 0.769 434 G HN 0.643 nan 8.290 nan 0.000 0.547 435 S N 0.246 115.613 115.700 -0.554 0.000 2.377 435 S HA 0.023 4.503 4.470 0.016 0.000 0.223 435 S C 2.156 176.604 174.600 -0.254 0.000 1.030 435 S CA 1.613 59.497 58.200 -0.526 0.000 0.970 435 S CB -0.189 63.100 63.200 0.149 0.000 0.830 435 S HN 0.269 nan 8.310 nan 0.000 0.473 436 K N 0.424 120.715 120.400 -0.181 0.000 2.097 436 K HA 0.044 4.373 4.320 0.016 0.000 0.206 436 K C 1.992 178.630 176.600 0.063 0.000 1.049 436 K CA 1.799 58.037 56.287 -0.082 0.000 0.933 436 K CB -0.593 31.757 32.500 -0.249 0.000 0.717 436 K HN 0.577 nan 8.250 nan 0.000 0.442 437 c N -1.199 117.382 118.600 -0.031 0.000 2.524 437 c HA 0.097 4.677 4.570 0.016 0.000 0.284 437 c C 2.467 176.580 174.090 0.038 0.000 1.346 437 c CA -0.182 56.168 56.329 0.035 0.000 1.739 437 c CB -0.632 41.856 42.510 -0.036 0.000 2.119 437 c HN 0.583 nan 8.230 nan 0.000 0.501 438 c N 1.680 120.168 118.600 -0.186 0.000 2.413 438 c HA -0.065 4.515 4.570 0.016 0.000 0.292 438 c C 2.970 177.015 174.090 -0.074 0.000 1.435 438 c CA 1.724 57.931 56.329 -0.203 0.000 1.791 438 c CB -1.760 40.454 42.510 -0.494 0.000 1.784 438 c HN 0.767 nan 8.230 nan 0.000 0.548 439 K N -0.100 120.289 120.400 -0.019 0.000 2.217 439 K HA -0.051 4.278 4.320 0.016 0.000 0.202 439 K C 0.804 177.378 176.600 -0.043 0.000 1.051 439 K CA 0.809 57.081 56.287 -0.024 0.000 0.952 439 K CB -0.650 31.816 32.500 -0.057 0.000 0.736 439 K HN 0.766 nan 8.250 nan 0.000 0.453 440 H N 0.264 119.313 119.070 -0.035 0.000 2.546 440 H HA 0.217 4.783 4.556 0.016 0.000 0.365 440 H C -2.290 173.027 175.328 -0.018 0.000 1.220 440 H CA -1.950 54.087 56.048 -0.018 0.000 1.386 440 H CB 1.274 31.030 29.762 -0.010 0.000 1.510 440 H HN 0.195 nan 8.280 nan 0.000 0.591 441 P HA 0.054 nan 4.420 nan 0.000 0.279 441 P C 0.735 178.068 177.300 0.056 0.000 1.252 441 P CA -0.378 62.756 63.100 0.057 0.000 0.811 441 P CB 1.056 32.778 31.700 0.036 0.000 1.035 442 E N 1.781 122.002 120.200 0.035 0.000 2.172 442 E HA -0.353 4.007 4.350 0.016 0.000 0.213 442 E C 1.823 178.442 176.600 0.031 0.000 1.051 442 E CA 2.593 59.011 56.400 0.029 0.000 0.860 442 E CB -0.710 29.006 29.700 0.026 0.000 0.755 442 E HN 0.482 nan 8.360 nan 0.000 0.462 443 A N 0.202 123.041 122.820 0.032 0.000 1.869 443 A HA -0.260 4.069 4.320 0.016 0.000 0.218 443 A C 2.235 179.830 177.584 0.020 0.000 1.203 443 A CA 2.395 54.448 52.037 0.027 0.000 0.638 443 A CB -0.645 18.366 19.000 0.018 0.000 0.831 443 A HN 0.188 nan 8.150 nan 0.000 0.450 444 K N -0.723 119.694 120.400 0.028 0.000 2.487 444 K HA 0.186 4.515 4.320 0.016 0.000 0.192 444 K C 1.851 178.413 176.600 -0.063 0.000 1.027 444 K CA 0.682 56.967 56.287 -0.003 0.000 1.054 444 K CB -0.227 32.309 32.500 0.059 0.000 0.824 444 K HN 0.593 nan 8.250 nan 0.000 0.510 445 R N 0.423 120.907 120.500 -0.026 0.000 2.070 445 R HA 0.105 4.454 4.340 0.016 0.000 0.227 445 R C 2.488 178.750 176.300 -0.063 0.000 1.147 445 R CA 2.056 58.126 56.100 -0.050 0.000 0.924 445 R CB -0.339 29.953 30.300 -0.014 0.000 0.827 445 R HN 0.209 nan 8.270 nan 0.000 0.431 446 M N 0.186 119.763 119.600 -0.038 0.000 2.089 446 M HA -0.153 4.336 4.480 0.016 0.000 0.257 446 M C -0.944 175.321 176.300 -0.060 0.000 1.071 446 M CA 2.068 57.342 55.300 -0.045 0.000 1.096 446 M CB -0.810 31.767 32.600 -0.040 0.000 1.330 446 M HN 0.033 nan 8.290 nan 0.000 0.403 447 P HA -0.137 nan 4.420 nan 0.000 0.215 447 P C 1.622 178.847 177.300 -0.126 0.000 1.153 447 P CA 1.166 64.213 63.100 -0.090 0.000 0.853 447 P CB -0.306 31.338 31.700 -0.093 0.000 0.788 448 c N -0.036 118.473 118.600 -0.152 0.000 2.413 448 c HA -0.130 4.450 4.570 0.016 0.000 0.278 448 c C 2.876 176.915 174.090 -0.085 0.000 1.224 448 c CA 1.838 58.057 56.329 -0.184 0.000 1.732 448 c CB -1.635 40.724 42.510 -0.252 0.000 2.050 448 c HN 0.241 nan 8.230 nan 0.000 0.463 449 A N -0.053 122.758 122.820 -0.015 0.000 1.927 449 A HA -0.303 4.027 4.320 0.016 0.000 0.220 449 A C 2.150 179.747 177.584 0.023 0.000 1.185 449 A CA 2.339 54.406 52.037 0.050 0.000 0.639 449 A CB -1.064 17.945 19.000 0.016 0.000 0.820 449 A HN 0.861 nan 8.150 nan 0.000 0.451 450 E N -0.400 119.780 120.200 -0.033 0.000 2.085 450 E HA -0.258 4.101 4.350 0.016 0.000 0.194 450 E C 1.525 178.089 176.600 -0.060 0.000 0.994 450 E CA 1.356 57.735 56.400 -0.035 0.000 0.801 450 E CB -0.269 29.408 29.700 -0.039 0.000 0.743 450 E HN 0.597 nan 8.360 nan 0.000 0.453 451 D N -0.651 119.655 120.400 -0.156 0.000 2.116 451 D HA -0.186 4.463 4.640 0.016 0.000 0.193 451 D C 1.830 177.979 176.300 -0.252 0.000 0.998 451 D CA 1.385 55.224 54.000 -0.268 0.000 0.836 451 D CB -0.143 40.348 40.800 -0.515 0.000 0.951 451 D HN 0.325 nan 8.370 nan 0.000 0.449 452 Y N 0.264 120.559 120.300 -0.009 0.000 2.153 452 Y HA -0.053 4.506 4.550 0.015 0.000 0.289 452 Y C 2.256 178.147 175.900 -0.015 0.000 1.119 452 Y CA 0.048 58.144 58.100 -0.007 0.000 1.116 452 Y CB -0.873 37.580 38.460 -0.012 0.000 1.004 452 Y HN -0.103 nan 8.280 nan 0.000 0.501 453 L N 0.334 121.642 121.223 0.141 0.000 2.197 453 L HA -0.277 4.073 4.340 0.016 0.000 0.215 453 L C 2.576 179.458 176.870 0.020 0.000 1.095 453 L CA 2.102 56.974 54.840 0.053 0.000 0.764 453 L CB -1.254 40.825 42.059 0.033 0.000 0.897 453 L HN 0.401 nan 8.230 nan 0.000 0.436 454 S N -1.559 114.153 115.700 0.020 0.000 2.355 454 S HA -0.150 4.330 4.470 0.016 0.000 0.222 454 S C 1.938 176.545 174.600 0.011 0.000 1.031 454 S CA 1.415 59.618 58.200 0.005 0.000 0.993 454 S CB -1.076 62.117 63.200 -0.011 0.000 0.859 454 S HN 0.282 nan 8.310 nan 0.000 0.453 455 V N 0.874 120.805 119.914 0.028 0.000 2.323 455 V HA -0.023 4.106 4.120 0.016 0.000 0.244 455 V C 2.545 178.650 176.094 0.019 0.000 1.041 455 V CA 1.242 63.563 62.300 0.034 0.000 1.025 455 V CB -1.473 30.388 31.823 0.063 0.000 0.656 455 V HN 0.396 nan 8.190 nan 0.000 0.451 456 V N 0.133 120.058 119.914 0.017 0.000 2.252 456 V HA -0.260 3.870 4.120 0.016 0.000 0.249 456 V C 2.619 178.667 176.094 -0.076 0.000 1.056 456 V CA 2.259 64.543 62.300 -0.026 0.000 1.022 456 V CB -0.786 31.015 31.823 -0.036 0.000 0.641 456 V HN 0.421 nan 8.190 nan 0.000 0.445 457 L N 0.350 121.518 121.223 -0.091 0.000 2.127 457 L HA -0.184 4.166 4.340 0.016 0.000 0.211 457 L C 2.147 178.994 176.870 -0.039 0.000 1.089 457 L CA 2.134 56.895 54.840 -0.131 0.000 0.757 457 L CB -1.454 40.570 42.059 -0.059 0.000 0.899 457 L HN 0.484 nan 8.230 nan 0.000 0.434 458 N N -1.075 117.624 118.700 -0.001 0.000 2.173 458 N HA -0.198 4.552 4.740 0.016 0.000 0.184 458 N C 1.884 177.405 175.510 0.018 0.000 1.025 458 N CA 1.068 54.134 53.050 0.027 0.000 0.852 458 N CB -0.152 38.353 38.487 0.031 0.000 0.998 458 N HN 0.398 nan 8.380 nan 0.000 0.427 459 Q N 0.278 120.080 119.800 0.005 0.000 2.152 459 Q HA -0.197 4.153 4.340 0.016 0.000 0.206 459 Q C 1.999 177.996 176.000 -0.005 0.000 0.985 459 Q CA 1.545 57.351 55.803 0.005 0.000 0.863 459 Q CB -0.319 28.419 28.738 0.000 0.000 0.904 459 Q HN 0.515 nan 8.270 nan 0.000 0.422 460 L N 0.077 121.276 121.223 -0.040 0.000 2.201 460 L HA -0.066 4.284 4.340 0.016 0.000 0.212 460 L C 2.077 178.944 176.870 -0.004 0.000 1.105 460 L CA 1.568 56.370 54.840 -0.062 0.000 0.775 460 L CB -0.640 41.309 42.059 -0.183 0.000 0.913 460 L HN 0.274 nan 8.230 nan 0.000 0.440 461 c N -1.515 117.102 118.600 0.028 0.000 2.485 461 c HA 0.051 4.630 4.570 0.016 0.000 0.278 461 c C 2.615 176.763 174.090 0.098 0.000 1.356 461 c CA 0.585 56.967 56.329 0.089 0.000 1.747 461 c CB -0.432 42.143 42.510 0.109 0.000 2.001 461 c HN 0.491 nan 8.230 nan 0.000 0.501 462 V N 1.412 121.364 119.914 0.065 0.000 2.594 462 V HA -0.182 3.947 4.120 0.016 0.000 0.253 462 V C 2.213 178.341 176.094 0.058 0.000 1.069 462 V CA 1.525 63.858 62.300 0.055 0.000 1.082 462 V CB -0.678 31.169 31.823 0.039 0.000 0.680 462 V HN 0.545 nan 8.190 nan 0.000 0.469 463 L N -0.878 120.384 121.223 0.066 0.000 2.068 463 L HA -0.108 4.242 4.340 0.016 0.000 0.204 463 L C 2.573 179.495 176.870 0.087 0.000 1.076 463 L CA 1.742 56.618 54.840 0.061 0.000 0.753 463 L CB -1.049 41.042 42.059 0.055 0.000 0.910 463 L HN 0.376 nan 8.230 nan 0.000 0.439 464 H N 0.265 119.346 119.070 0.018 0.000 2.489 464 H HA -0.202 4.364 4.556 0.017 0.000 0.295 464 H C 2.122 177.463 175.328 0.022 0.000 1.082 464 H CA 1.503 57.566 56.048 0.025 0.000 1.295 464 H CB 0.437 30.224 29.762 0.043 0.000 1.380 464 H HN 0.314 nan 8.280 nan 0.000 0.548 465 E N 1.221 121.481 120.200 0.100 0.000 2.106 465 E HA -0.127 4.232 4.350 0.016 0.000 0.192 465 E C 1.805 178.406 176.600 0.003 0.000 0.984 465 E CA 1.397 57.826 56.400 0.048 0.000 0.806 465 E CB 0.172 29.901 29.700 0.049 0.000 0.750 465 E HN 0.310 nan 8.360 nan 0.000 0.458 466 K N -1.126 119.272 120.400 -0.004 0.000 2.334 466 K HA 0.137 4.466 4.320 0.016 0.000 0.195 466 K C 0.075 176.649 176.600 -0.044 0.000 1.045 466 K CA 1.103 57.379 56.287 -0.018 0.000 1.004 466 K CB 0.868 33.364 32.500 -0.006 0.000 0.837 466 K HN 0.135 nan 8.250 nan 0.000 0.510 467 T N 0.150 114.659 114.554 -0.074 0.000 3.542 467 T HA 0.283 4.643 4.350 0.016 0.000 0.276 467 T C -2.902 171.642 174.700 -0.259 0.000 1.412 467 T CA -2.021 60.013 62.100 -0.111 0.000 1.664 467 T CB 0.626 69.456 68.868 -0.063 0.000 0.863 467 T HN -0.206 nan 8.240 nan 0.000 0.661 468 P HA 0.122 nan 4.420 nan 0.000 0.264 468 P C 0.295 177.295 177.300 -0.500 0.000 1.179 468 P CA -0.103 62.606 63.100 -0.651 0.000 0.763 468 P CB 1.474 33.011 31.700 -0.272 0.000 0.806 469 V N 0.896 120.454 119.914 -0.593 0.000 3.177 469 V HA 0.096 4.225 4.120 0.016 0.000 0.219 469 V C 0.918 177.116 176.094 0.173 0.000 1.344 469 V CA 0.797 63.083 62.300 -0.024 0.000 1.324 469 V CB 0.532 32.428 31.823 0.122 0.000 1.165 469 V HN 0.556 nan 8.190 nan 0.000 0.510 470 S N 0.823 116.790 115.700 0.445 0.000 2.482 470 S HA 0.289 4.768 4.470 0.016 0.000 0.303 470 S C 0.603 175.354 174.600 0.252 0.000 1.091 470 S CA -0.294 58.062 58.200 0.259 0.000 1.057 470 S CB 1.473 64.769 63.200 0.159 0.000 1.031 470 S HN 0.611 nan 8.310 nan 0.000 0.485 471 D N 4.497 124.977 120.400 0.132 0.000 2.219 471 D HA -0.114 4.536 4.640 0.016 0.000 0.205 471 D C 1.513 177.838 176.300 0.043 0.000 0.970 471 D CA 0.875 54.929 54.000 0.090 0.000 0.851 471 D CB -0.027 40.806 40.800 0.054 0.000 0.943 471 D HN 0.425 nan 8.370 nan 0.000 0.488 472 R N 0.503 121.015 120.500 0.021 0.000 2.061 472 R HA 0.021 4.370 4.340 0.016 0.000 0.230 472 R C 2.618 178.856 176.300 -0.102 0.000 1.140 472 R CA 0.937 57.015 56.100 -0.036 0.000 0.940 472 R CB -0.642 29.646 30.300 -0.020 0.000 0.839 472 R HN 0.018 nan 8.270 nan 0.000 0.429 473 V N 0.597 120.445 119.914 -0.110 0.000 2.453 473 V HA -0.273 3.857 4.120 0.016 0.000 0.252 473 V C 1.927 177.893 176.094 -0.215 0.000 1.068 473 V CA 2.176 64.365 62.300 -0.186 0.000 1.070 473 V CB -0.525 31.035 31.823 -0.438 0.000 0.664 473 V HN 0.468 nan 8.190 nan 0.000 0.461 474 T N -0.736 113.758 114.554 -0.100 0.000 2.985 474 T HA -0.132 4.227 4.350 0.016 0.000 0.266 474 T C 1.931 176.623 174.700 -0.014 0.000 1.076 474 T CA 1.449 63.578 62.100 0.048 0.000 1.135 474 T CB -0.073 68.905 68.868 0.182 0.000 0.890 474 T HN 0.491 nan 8.240 nan 0.000 0.480 475 K N 0.814 121.177 120.400 -0.062 0.000 2.103 475 K HA -0.010 4.319 4.320 0.016 0.000 0.204 475 K C 2.047 178.565 176.600 -0.136 0.000 1.052 475 K CA 1.331 57.572 56.287 -0.078 0.000 0.945 475 K CB -0.585 31.869 32.500 -0.078 0.000 0.722 475 K HN 0.349 nan 8.250 nan 0.000 0.443 476 c N -0.489 117.951 118.600 -0.267 0.000 2.485 476 c HA 0.130 4.709 4.570 0.016 0.000 0.278 476 c C 2.681 176.629 174.090 -0.237 0.000 1.356 476 c CA -0.173 55.917 56.329 -0.398 0.000 1.747 476 c CB -1.011 40.914 42.510 -0.975 0.000 2.001 476 c HN 0.633 nan 8.230 nan 0.000 0.501 477 c N 2.061 120.585 118.600 -0.127 0.000 2.413 477 c HA -0.120 4.459 4.570 0.016 0.000 0.276 477 c C 3.090 177.208 174.090 0.047 0.000 1.248 477 c CA 2.266 58.620 56.329 0.041 0.000 1.742 477 c CB -1.474 41.087 42.510 0.086 0.000 2.017 477 c HN 0.821 nan 8.230 nan 0.000 0.481 478 T N -1.383 113.183 114.554 0.020 0.000 2.896 478 T HA -0.058 4.302 4.350 0.016 0.000 0.263 478 T C 0.669 175.407 174.700 0.064 0.000 1.050 478 T CA 0.498 62.619 62.100 0.035 0.000 1.140 478 T CB -0.235 68.643 68.868 0.016 0.000 0.877 478 T HN 0.633 nan 8.240 nan 0.000 0.457 479 E N 2.242 122.460 120.200 0.030 0.000 2.468 479 E HA 0.144 4.503 4.350 0.016 0.000 0.263 479 E C 0.182 176.860 176.600 0.131 0.000 1.192 479 E CA 0.140 56.569 56.400 0.048 0.000 1.016 479 E CB 0.392 30.076 29.700 -0.026 0.000 0.980 479 E HN 0.610 nan 8.360 nan 0.000 0.467 480 S N 0.412 116.183 115.700 0.119 0.000 2.558 480 S HA -0.005 4.475 4.470 0.016 0.000 0.288 480 S C 1.578 176.115 174.600 -0.104 0.000 1.318 480 S CA -0.015 58.220 58.200 0.058 0.000 1.056 480 S CB 0.813 63.991 63.200 -0.036 0.000 0.853 480 S HN 0.693 nan 8.310 nan 0.000 0.505 481 L N 2.978 123.997 121.223 -0.340 0.000 2.263 481 L HA 0.006 4.356 4.340 0.016 0.000 0.216 481 L C 2.599 179.363 176.870 -0.176 0.000 1.111 481 L CA 2.069 56.763 54.840 -0.243 0.000 0.773 481 L CB -1.800 40.023 42.059 -0.394 0.000 0.906 481 L HN 0.840 nan 8.230 nan 0.000 0.439 482 V N -0.171 119.626 119.914 -0.195 0.000 3.041 482 V HA -0.110 4.020 4.120 0.016 0.000 0.260 482 V C 1.812 177.854 176.094 -0.087 0.000 1.105 482 V CA 1.586 63.810 62.300 -0.126 0.000 1.125 482 V CB -0.502 31.247 31.823 -0.124 0.000 0.730 482 V HN 0.882 nan 8.190 nan 0.000 0.479 483 N N -0.699 117.955 118.700 -0.077 0.000 2.184 483 N HA 0.100 4.849 4.740 0.016 0.000 0.206 483 N C 1.643 177.114 175.510 -0.066 0.000 1.151 483 N CA -0.066 52.946 53.050 -0.063 0.000 0.878 483 N CB 0.002 38.455 38.487 -0.057 0.000 1.014 483 N HN 0.300 nan 8.380 nan 0.000 0.512 484 R N 0.893 121.366 120.500 -0.046 0.000 2.241 484 R HA 0.028 4.378 4.340 0.016 0.000 0.224 484 R C 1.720 178.062 176.300 0.069 0.000 1.101 484 R CA 0.935 57.026 56.100 -0.016 0.000 0.995 484 R CB 0.276 30.601 30.300 0.040 0.000 0.870 484 R HN 0.042 nan 8.270 nan 0.000 0.463 485 R N -0.181 120.356 120.500 0.062 0.000 2.140 485 R HA 0.087 4.436 4.340 0.016 0.000 0.200 485 R C -1.188 175.164 176.300 0.087 0.000 1.069 485 R CA 0.106 56.288 56.100 0.137 0.000 1.088 485 R CB -0.581 29.762 30.300 0.071 0.000 1.012 485 R HN 0.134 nan 8.270 nan 0.000 0.500 486 P HA -0.057 nan 4.420 nan 0.000 0.225 486 P C 1.431 178.717 177.300 -0.023 0.000 1.148 486 P CA 0.670 63.768 63.100 -0.003 0.000 0.779 486 P CB -0.211 31.471 31.700 -0.029 0.000 0.780 487 c N -1.860 116.689 118.600 -0.084 0.000 2.476 487 c HA -0.086 4.493 4.570 0.016 0.000 0.278 487 c C 2.337 176.315 174.090 -0.188 0.000 1.274 487 c CA 0.532 56.749 56.329 -0.186 0.000 1.713 487 c CB -1.979 40.326 42.510 -0.342 0.000 2.039 487 c HN 0.069 nan 8.230 nan 0.000 0.484 488 F N 1.849 121.772 119.950 -0.045 0.000 2.134 488 F HA -0.080 4.458 4.527 0.019 0.000 0.299 488 F C 2.744 178.533 175.800 -0.018 0.000 1.097 488 F CA 1.965 59.930 58.000 -0.058 0.000 1.264 488 F CB -0.913 38.025 39.000 -0.102 0.000 1.001 488 F HN 0.137 nan 8.300 nan 0.000 0.479 489 S N -0.246 115.561 115.700 0.178 0.000 2.469 489 S HA -0.128 4.351 4.470 0.016 0.000 0.238 489 S C 2.111 176.762 174.600 0.085 0.000 0.998 489 S CA 0.888 59.165 58.200 0.129 0.000 0.957 489 S CB -0.553 62.700 63.200 0.088 0.000 0.764 489 S HN 0.362 nan 8.310 nan 0.000 0.514 490 A N 0.638 123.487 122.820 0.048 0.000 2.195 490 A HA 0.369 4.698 4.320 0.016 0.000 0.210 490 A C 0.762 178.361 177.584 0.025 0.000 1.165 490 A CA -0.150 51.900 52.037 0.022 0.000 0.806 490 A CB -0.241 18.753 19.000 -0.010 0.000 0.847 490 A HN 0.395 nan 8.150 nan 0.000 0.482 491 L N 1.177 122.425 121.223 0.043 0.000 2.543 491 L HA 0.022 4.371 4.340 0.016 0.000 0.285 491 L C 0.234 177.135 176.870 0.052 0.000 1.236 491 L CA 0.400 55.268 54.840 0.046 0.000 0.871 491 L CB 0.264 42.376 42.059 0.088 0.000 1.121 491 L HN 0.397 nan 8.230 nan 0.000 0.501 492 E N 1.227 121.448 120.200 0.035 0.000 2.244 492 E HA 0.346 4.705 4.350 0.016 0.000 0.266 492 E C -0.907 175.709 176.600 0.028 0.000 0.914 492 E CA -1.021 55.397 56.400 0.030 0.000 0.794 492 E CB 2.199 31.911 29.700 0.020 0.000 1.210 492 E HN 0.220 nan 8.360 nan 0.000 0.414 493 V N 2.424 122.350 119.914 0.019 0.000 2.681 493 V HA -0.134 3.995 4.120 0.016 0.000 0.306 493 V C 0.263 176.369 176.094 0.019 0.000 1.077 493 V CA 0.703 63.009 62.300 0.010 0.000 1.224 493 V CB 0.069 31.893 31.823 0.002 0.000 0.879 493 V HN 0.668 nan 8.190 nan 0.000 0.494 494 D N 4.494 124.905 120.400 0.017 0.000 2.339 494 D HA 0.086 4.736 4.640 0.016 0.000 0.256 494 D C 0.995 177.339 176.300 0.073 0.000 1.214 494 D CA -0.122 53.906 54.000 0.046 0.000 0.877 494 D CB 1.051 41.881 40.800 0.050 0.000 1.111 494 D HN 0.615 nan 8.370 nan 0.000 0.478 495 E N 1.952 122.192 120.200 0.068 0.000 2.447 495 E HA -0.019 4.340 4.350 0.016 0.000 0.195 495 E C 1.332 177.980 176.600 0.080 0.000 1.028 495 E CA 0.297 56.737 56.400 0.068 0.000 0.876 495 E CB 0.235 29.960 29.700 0.041 0.000 0.885 495 E HN 0.432 nan 8.360 nan 0.000 0.500 496 T N 0.798 115.405 114.554 0.089 0.000 2.904 496 T HA -0.119 4.241 4.350 0.016 0.000 0.267 496 T C 0.595 175.356 174.700 0.100 0.000 1.059 496 T CA 0.308 62.454 62.100 0.077 0.000 1.137 496 T CB -0.346 68.564 68.868 0.070 0.000 0.879 496 T HN 0.182 nan 8.240 nan 0.000 0.467 497 Y N 3.159 123.468 120.300 0.015 0.000 2.811 497 Y HA 0.185 4.745 4.550 0.016 0.000 0.334 497 Y C -0.342 175.565 175.900 0.011 0.000 1.247 497 Y CA -0.709 57.401 58.100 0.016 0.000 1.526 497 Y CB 0.328 38.800 38.460 0.020 0.000 1.284 497 Y HN -0.121 nan 8.280 nan 0.000 0.586 498 V N 8.445 127.976 119.914 -0.637 0.000 2.328 498 V HA 0.311 4.440 4.120 0.016 0.000 0.278 498 V C -2.078 173.595 176.094 -0.701 0.000 1.021 498 V CA -2.235 59.790 62.300 -0.458 0.000 0.838 498 V CB 0.548 32.207 31.823 -0.274 0.000 0.999 498 V HN 0.735 nan 8.190 nan 0.000 0.447 499 P HA -0.016 nan 4.420 nan 0.000 0.265 499 P C -0.011 177.260 177.300 -0.048 0.000 1.167 499 P CA 0.360 63.421 63.100 -0.065 0.000 0.760 499 P CB 0.718 32.403 31.700 -0.025 0.000 0.783 500 K N 0.991 121.470 120.400 0.131 0.000 2.118 500 K HA 0.360 4.689 4.320 0.016 0.000 0.240 500 K C 0.769 177.534 176.600 0.274 0.000 1.035 500 K CA -0.087 56.298 56.287 0.163 0.000 0.899 500 K CB 0.203 32.831 32.500 0.213 0.000 1.085 500 K HN 0.611 nan 8.250 nan 0.000 0.498 501 E N 0.996 121.322 120.200 0.210 0.000 2.214 501 E HA 0.258 4.617 4.350 0.016 0.000 0.274 501 E C -0.647 176.060 176.600 0.178 0.000 0.977 501 E CA -0.784 55.759 56.400 0.237 0.000 0.827 501 E CB 0.577 30.362 29.700 0.140 0.000 1.130 501 E HN 0.410 nan 8.360 nan 0.000 0.394 502 F N 2.504 122.442 119.950 -0.020 0.000 2.629 502 F HA 0.175 4.711 4.527 0.015 0.000 0.369 502 F C 0.701 176.490 175.800 -0.018 0.000 1.125 502 F CA 0.999 58.909 58.000 -0.150 0.000 1.330 502 F CB 0.727 39.625 39.000 -0.170 0.000 1.071 502 F HN 0.520 nan 8.300 nan 0.000 0.595 503 N N 4.477 122.824 118.700 -0.588 0.000 2.710 503 N HA 0.239 4.988 4.740 0.016 0.000 0.244 503 N C 0.436 175.632 175.510 -0.524 0.000 1.321 503 N CA 0.392 53.238 53.050 -0.341 0.000 0.758 503 N CB 1.085 39.427 38.487 -0.242 0.000 1.284 503 N HN 0.771 nan 8.380 nan 0.000 0.530 504 A N 2.116 124.748 122.820 -0.314 0.000 1.969 504 A HA -0.349 3.981 4.320 0.016 0.000 0.223 504 A C 2.028 179.505 177.584 -0.179 0.000 1.218 504 A CA 3.027 55.031 52.037 -0.055 0.000 0.667 504 A CB -1.114 18.018 19.000 0.221 0.000 0.826 504 A HN 0.734 nan 8.150 nan 0.000 0.472 505 E N -1.254 118.838 120.200 -0.179 0.000 2.114 505 E HA -0.246 4.114 4.350 0.016 0.000 0.199 505 E C 1.937 178.351 176.600 -0.310 0.000 1.008 505 E CA 2.278 58.564 56.400 -0.190 0.000 0.810 505 E CB -1.912 27.710 29.700 -0.130 0.000 0.739 505 E HN 0.796 nan 8.360 nan 0.000 0.456 506 T N -0.677 113.592 114.554 -0.476 0.000 2.962 506 T HA 0.042 4.401 4.350 0.016 0.000 0.270 506 T C 0.601 174.719 174.700 -0.971 0.000 1.088 506 T CA 1.032 62.685 62.100 -0.745 0.000 1.127 506 T CB -0.215 68.037 68.868 -1.027 0.000 0.883 506 T HN 0.440 nan 8.240 nan 0.000 0.493 507 F N 1.074 120.819 119.950 -0.341 0.000 2.805 507 F HA 0.339 4.876 4.527 0.015 0.000 0.317 507 F C 0.428 175.798 175.800 -0.717 0.000 1.146 507 F CA -0.762 57.045 58.000 -0.322 0.000 1.265 507 F CB 0.165 39.031 39.000 -0.223 0.000 0.992 507 F HN -0.178 nan 8.300 nan 0.000 0.511 508 T N 2.314 116.522 114.554 -0.576 0.000 2.788 508 T HA 0.409 4.768 4.350 0.016 0.000 0.296 508 T C -0.719 173.539 174.700 -0.736 0.000 1.009 508 T CA -0.300 61.339 62.100 -0.767 0.000 0.949 508 T CB -0.021 68.573 68.868 -0.458 0.000 0.946 508 T HN -0.000 nan 8.240 nan 0.000 0.453 509 F N 1.746 121.605 119.950 -0.152 0.000 2.325 509 F HA 0.512 5.049 4.527 0.016 0.000 0.369 509 F C 0.423 176.190 175.800 -0.056 0.000 1.095 509 F CA -1.532 56.434 58.000 -0.056 0.000 1.082 509 F CB -0.334 38.763 39.000 0.162 0.000 1.289 509 F HN 0.489 nan 8.300 nan 0.000 0.462 510 H N 1.046 120.253 119.070 0.229 0.000 2.551 510 H HA 0.524 5.090 4.556 0.016 0.000 0.358 510 H C 0.280 175.713 175.328 0.175 0.000 1.151 510 H CA -0.451 55.700 56.048 0.171 0.000 1.374 510 H CB 1.250 31.069 29.762 0.094 0.000 1.473 510 H HN 0.866 nan 8.280 nan 0.000 0.574 511 A N 2.708 125.684 122.820 0.261 0.000 3.017 511 A HA -0.039 4.291 4.320 0.016 0.000 0.283 511 A C 0.026 177.687 177.584 0.129 0.000 1.892 511 A CA 0.139 52.272 52.037 0.159 0.000 1.469 511 A CB -0.617 18.445 19.000 0.103 0.000 0.999 511 A HN 0.766 nan 8.150 nan 0.000 0.605 512 D N 1.201 121.684 120.400 0.137 0.000 2.680 512 D HA -0.031 4.618 4.640 0.016 0.000 0.295 512 D C 1.825 178.177 176.300 0.085 0.000 1.097 512 D CA 0.890 54.952 54.000 0.103 0.000 0.952 512 D CB -0.660 40.210 40.800 0.117 0.000 1.491 512 D HN 0.616 nan 8.370 nan 0.000 0.486 513 I N 0.981 121.615 120.570 0.106 0.000 2.236 513 I HA -0.303 3.876 4.170 0.016 0.000 0.249 513 I C 2.078 178.226 176.117 0.051 0.000 1.102 513 I CA 1.331 62.684 61.300 0.089 0.000 1.365 513 I CB -1.158 36.914 38.000 0.121 0.000 1.051 513 I HN -0.045 nan 8.210 nan 0.000 0.420 514 c N -0.299 118.326 118.600 0.041 0.000 2.411 514 c HA -0.124 4.455 4.570 0.016 0.000 0.279 514 c C 2.363 176.459 174.090 0.010 0.000 1.288 514 c CA 1.322 57.658 56.329 0.012 0.000 1.764 514 c CB -1.983 40.529 42.510 0.005 0.000 1.974 514 c HN 0.731 nan 8.230 nan 0.000 0.498 515 T N 0.362 114.929 114.554 0.022 0.000 3.258 515 T HA 0.477 4.836 4.350 0.016 0.000 0.263 515 T C -0.158 174.554 174.700 0.020 0.000 0.983 515 T CA -0.010 62.100 62.100 0.017 0.000 0.907 515 T CB -0.580 68.299 68.868 0.019 0.000 1.096 515 T HN 0.324 nan 8.240 nan 0.000 0.556 516 L N 1.789 123.024 121.223 0.021 0.000 2.333 516 L HA 0.590 4.940 4.340 0.016 0.000 0.269 516 L C 0.617 177.493 176.870 0.011 0.000 1.010 516 L CA -1.082 53.772 54.840 0.023 0.000 0.818 516 L CB 2.116 44.197 42.059 0.036 0.000 1.306 516 L HN 0.285 nan 8.230 nan 0.000 0.430 517 S N 0.024 115.731 115.700 0.012 0.000 2.579 517 S HA 0.070 4.549 4.470 0.016 0.000 0.275 517 S C 0.876 175.475 174.600 -0.002 0.000 1.345 517 S CA -0.629 57.573 58.200 0.004 0.000 1.031 517 S CB 1.139 64.344 63.200 0.009 0.000 0.892 517 S HN 0.596 nan 8.310 nan 0.000 0.529 518 E N 2.434 122.623 120.200 -0.018 0.000 2.136 518 E HA -0.245 4.115 4.350 0.016 0.000 0.202 518 E C 2.612 179.203 176.600 -0.016 0.000 1.019 518 E CA 2.248 58.624 56.400 -0.040 0.000 0.819 518 E CB -1.088 28.580 29.700 -0.053 0.000 0.739 518 E HN 0.896 nan 8.360 nan 0.000 0.458 519 K N 1.432 121.837 120.400 0.008 0.000 2.074 519 K HA -0.197 4.133 4.320 0.016 0.000 0.209 519 K C 1.936 178.561 176.600 0.041 0.000 1.048 519 K CA 1.765 58.071 56.287 0.031 0.000 0.926 519 K CB -0.532 31.986 32.500 0.029 0.000 0.713 519 K HN 0.059 nan 8.250 nan 0.000 0.444 520 E N -0.125 120.095 120.200 0.033 0.000 2.076 520 E HA -0.024 4.335 4.350 0.016 0.000 0.190 520 E C 2.306 178.939 176.600 0.055 0.000 0.979 520 E CA 0.797 57.223 56.400 0.043 0.000 0.807 520 E CB -0.183 29.539 29.700 0.038 0.000 0.761 520 E HN 0.586 nan 8.360 nan 0.000 0.454 521 R N 0.755 121.280 120.500 0.042 0.000 2.091 521 R HA -0.136 4.214 4.340 0.016 0.000 0.238 521 R C 2.497 178.851 176.300 0.089 0.000 1.136 521 R CA 1.666 57.798 56.100 0.053 0.000 0.959 521 R CB -0.102 30.204 30.300 0.009 0.000 0.856 521 R HN 0.256 nan 8.270 nan 0.000 0.437 522 Q N 0.107 119.957 119.800 0.085 0.000 1.965 522 Q HA -0.135 4.215 4.340 0.016 0.000 0.200 522 Q C 2.210 178.326 176.000 0.193 0.000 0.981 522 Q CA 1.539 57.476 55.803 0.223 0.000 0.834 522 Q CB -0.208 28.696 28.738 0.276 0.000 0.900 522 Q HN 0.340 nan 8.270 nan 0.000 0.426 523 I N 1.046 121.692 120.570 0.125 0.000 2.300 523 I HA -0.342 3.837 4.170 0.016 0.000 0.252 523 I C 2.239 178.394 176.117 0.064 0.000 1.119 523 I CA 1.367 62.715 61.300 0.080 0.000 1.384 523 I CB -0.300 37.734 38.000 0.057 0.000 1.062 523 I HN 0.209 nan 8.210 nan 0.000 0.426 524 K N 0.901 121.348 120.400 0.079 0.000 2.007 524 K HA -0.143 4.186 4.320 0.016 0.000 0.206 524 K C 2.160 178.801 176.600 0.069 0.000 1.047 524 K CA 1.290 57.621 56.287 0.074 0.000 0.937 524 K CB -0.112 32.450 32.500 0.102 0.000 0.718 524 K HN 0.264 nan 8.250 nan 0.000 0.438 525 K N 1.145 121.611 120.400 0.110 0.000 2.002 525 K HA -0.189 4.140 4.320 0.016 0.000 0.209 525 K C 2.323 178.922 176.600 -0.001 0.000 1.048 525 K CA 1.515 57.846 56.287 0.073 0.000 0.930 525 K CB -0.118 32.506 32.500 0.206 0.000 0.714 525 K HN 0.153 nan 8.250 nan 0.000 0.438 526 Q N 0.161 119.986 119.800 0.042 0.000 2.096 526 Q HA -0.157 4.193 4.340 0.016 0.000 0.204 526 Q C 2.092 178.069 176.000 -0.037 0.000 0.982 526 Q CA 2.059 57.852 55.803 -0.017 0.000 0.850 526 Q CB -0.151 28.585 28.738 -0.003 0.000 0.901 526 Q HN 0.342 nan 8.270 nan 0.000 0.422 527 T N 0.395 114.934 114.554 -0.026 0.000 2.788 527 T HA -0.158 4.202 4.350 0.016 0.000 0.268 527 T C 1.764 176.415 174.700 -0.082 0.000 1.044 527 T CA 1.181 63.253 62.100 -0.047 0.000 1.139 527 T CB -0.225 68.618 68.868 -0.042 0.000 0.867 527 T HN 0.395 nan 8.240 nan 0.000 0.454 528 A N 1.101 123.864 122.820 -0.095 0.000 1.968 528 A HA 0.084 4.413 4.320 0.016 0.000 0.217 528 A C 2.173 179.737 177.584 -0.033 0.000 1.169 528 A CA 0.775 52.736 52.037 -0.127 0.000 0.638 528 A CB -0.612 18.315 19.000 -0.122 0.000 0.812 528 A HN 0.369 nan 8.150 nan 0.000 0.446 529 L N 0.114 121.300 121.223 -0.061 0.000 2.017 529 L HA -0.105 4.245 4.340 0.016 0.000 0.208 529 L C 2.424 179.284 176.870 -0.016 0.000 1.073 529 L CA 1.906 56.718 54.840 -0.047 0.000 0.745 529 L CB -0.827 41.182 42.059 -0.083 0.000 0.894 529 L HN 0.177 nan 8.230 nan 0.000 0.432 530 V N -0.272 119.623 119.914 -0.031 0.000 2.295 530 V HA -0.229 3.901 4.120 0.016 0.000 0.246 530 V C 2.655 178.756 176.094 0.011 0.000 1.049 530 V CA 1.686 63.972 62.300 -0.023 0.000 1.024 530 V CB -0.661 31.143 31.823 -0.033 0.000 0.648 530 V HN 0.415 nan 8.190 nan 0.000 0.447 531 E N -0.025 120.177 120.200 0.002 0.000 2.118 531 E HA -0.227 4.132 4.350 0.016 0.000 0.195 531 E C 2.101 178.833 176.600 0.220 0.000 0.992 531 E CA 1.243 57.662 56.400 0.031 0.000 0.804 531 E CB -0.514 29.088 29.700 -0.163 0.000 0.741 531 E HN 0.484 nan 8.360 nan 0.000 0.458 532 L N 0.439 121.825 121.223 0.271 0.000 2.046 532 L HA -0.127 4.223 4.340 0.016 0.000 0.208 532 L C 2.187 179.172 176.870 0.192 0.000 1.077 532 L CA 1.376 56.403 54.840 0.312 0.000 0.747 532 L CB -0.487 41.688 42.059 0.193 0.000 0.896 532 L HN -0.096 nan 8.230 nan 0.000 0.432 533 V N -0.412 119.564 119.914 0.103 0.000 2.548 533 V HA -0.194 3.935 4.120 0.016 0.000 0.249 533 V C 2.546 178.679 176.094 0.065 0.000 1.055 533 V CA 1.608 63.936 62.300 0.048 0.000 1.065 533 V CB -0.680 31.136 31.823 -0.012 0.000 0.681 533 V HN 0.437 nan 8.190 nan 0.000 0.462 534 K N -0.632 119.826 120.400 0.097 0.000 2.211 534 K HA -0.179 4.151 4.320 0.016 0.000 0.203 534 K C 2.135 178.912 176.600 0.295 0.000 1.050 534 K CA 1.409 57.782 56.287 0.143 0.000 0.945 534 K CB -0.163 32.420 32.500 0.138 0.000 0.732 534 K HN 0.575 nan 8.250 nan 0.000 0.451 535 H N 0.487 119.664 119.070 0.179 0.000 2.329 535 H HA 0.054 4.619 4.556 0.016 0.000 0.306 535 H C 0.046 175.461 175.328 0.145 0.000 1.062 535 H CA 1.083 57.240 56.048 0.181 0.000 1.364 535 H CB 0.507 30.393 29.762 0.206 0.000 1.409 535 H HN -0.288 nan 8.280 nan 0.000 0.519 536 K N 1.867 122.235 120.400 -0.053 0.000 2.499 536 K HA 0.225 4.555 4.320 0.016 0.000 0.215 536 K C -2.347 174.246 176.600 -0.012 0.000 1.041 536 K CA -0.930 55.285 56.287 -0.121 0.000 1.031 536 K CB 1.171 33.619 32.500 -0.088 0.000 1.479 536 K HN 0.497 nan 8.250 nan 0.000 0.518 537 P HA -0.003 nan 4.420 nan 0.000 0.241 537 P C 0.270 177.574 177.300 0.006 0.000 1.191 537 P CA 0.620 63.733 63.100 0.022 0.000 0.771 537 P CB 0.358 32.102 31.700 0.073 0.000 0.929 538 K N -0.329 120.070 120.400 -0.001 0.000 2.397 538 K HA 0.305 4.635 4.320 0.016 0.000 0.202 538 K C 0.738 177.330 176.600 -0.012 0.000 1.022 538 K CA -0.279 56.005 56.287 -0.005 0.000 1.141 538 K CB 0.713 33.209 32.500 -0.005 0.000 0.857 538 K HN 0.035 nan 8.250 nan 0.000 0.514 539 A N 1.722 124.534 122.820 -0.015 0.000 2.450 539 A HA 0.220 4.549 4.320 0.016 0.000 0.255 539 A C 0.440 178.014 177.584 -0.016 0.000 1.096 539 A CA -0.005 52.023 52.037 -0.015 0.000 0.778 539 A CB 0.091 19.083 19.000 -0.012 0.000 1.031 539 A HN 0.156 nan 8.150 nan 0.000 0.494 540 T N 1.980 116.526 114.554 -0.014 0.000 2.701 540 T HA 0.393 4.753 4.350 0.016 0.000 0.303 540 T C 1.932 176.621 174.700 -0.018 0.000 1.030 540 T CA 0.304 62.395 62.100 -0.015 0.000 1.010 540 T CB 0.395 69.257 68.868 -0.010 0.000 1.007 540 T HN 0.878 nan 8.240 nan 0.000 0.532 541 K N 0.336 120.724 120.400 -0.020 0.000 2.365 541 K HA -0.025 4.305 4.320 0.016 0.000 0.199 541 K C 1.901 178.491 176.600 -0.015 0.000 1.045 541 K CA 1.009 57.282 56.287 -0.024 0.000 0.962 541 K CB -0.475 32.010 32.500 -0.025 0.000 0.759 541 K HN 0.545 nan 8.250 nan 0.000 0.469 542 E N 0.694 120.888 120.200 -0.010 0.000 2.024 542 E HA -0.080 4.280 4.350 0.016 0.000 0.190 542 E C 2.288 178.886 176.600 -0.003 0.000 0.974 542 E CA 0.972 57.370 56.400 -0.005 0.000 0.810 542 E CB -0.298 29.400 29.700 -0.003 0.000 0.775 542 E HN 0.698 nan 8.360 nan 0.000 0.453 543 Q N 0.248 120.045 119.800 -0.005 0.000 2.096 543 Q HA -0.212 4.138 4.340 0.016 0.000 0.208 543 Q C 2.225 178.224 176.000 -0.002 0.000 0.993 543 Q CA 1.352 57.153 55.803 -0.003 0.000 0.862 543 Q CB -0.240 28.494 28.738 -0.007 0.000 0.915 543 Q HN 0.094 nan 8.270 nan 0.000 0.416 544 L N 0.776 121.994 121.223 -0.008 0.000 2.093 544 L HA -0.183 4.167 4.340 0.016 0.000 0.208 544 L C 2.646 179.514 176.870 -0.004 0.000 1.085 544 L CA 2.350 57.184 54.840 -0.010 0.000 0.755 544 L CB -0.811 41.235 42.059 -0.021 0.000 0.904 544 L HN 0.174 nan 8.230 nan 0.000 0.435 545 K N -0.581 119.818 120.400 -0.002 0.000 2.057 545 K HA -0.063 4.267 4.320 0.016 0.000 0.207 545 K C 2.176 178.788 176.600 0.021 0.000 1.049 545 K CA 1.569 57.861 56.287 0.007 0.000 0.931 545 K CB -1.489 31.014 32.500 0.005 0.000 0.714 545 K HN 0.493 nan 8.250 nan 0.000 0.440 546 A N 0.807 123.639 122.820 0.019 0.000 1.841 546 A HA -0.052 4.277 4.320 0.016 0.000 0.216 546 A C 2.561 180.169 177.584 0.041 0.000 1.199 546 A CA 2.120 54.173 52.037 0.027 0.000 0.621 546 A CB -0.830 18.182 19.000 0.019 0.000 0.835 546 A HN 0.409 nan 8.150 nan 0.000 0.445 547 V N -0.039 119.893 119.914 0.031 0.000 2.370 547 V HA -0.375 3.755 4.120 0.016 0.000 0.252 547 V C 2.627 178.765 176.094 0.073 0.000 1.068 547 V CA 2.427 64.751 62.300 0.039 0.000 1.061 547 V CB -0.799 31.028 31.823 0.007 0.000 0.656 547 V HN 0.567 nan 8.190 nan 0.000 0.455 548 M N -0.215 119.419 119.600 0.057 0.000 2.296 548 M HA -0.113 4.377 4.480 0.016 0.000 0.265 548 M C 2.087 178.477 176.300 0.150 0.000 1.064 548 M CA 1.908 57.262 55.300 0.089 0.000 1.109 548 M CB -0.797 31.830 32.600 0.044 0.000 1.396 548 M HN 0.683 nan 8.290 nan 0.000 0.430 549 D N 0.339 120.802 120.400 0.105 0.000 2.085 549 D HA -0.166 4.483 4.640 0.016 0.000 0.199 549 D C 1.495 177.859 176.300 0.108 0.000 0.981 549 D CA 1.384 55.440 54.000 0.094 0.000 0.834 549 D CB -0.670 40.166 40.800 0.061 0.000 0.992 549 D HN 0.310 nan 8.370 nan 0.000 0.457 550 D N -1.248 119.215 120.400 0.105 0.000 2.357 550 D HA -0.052 4.598 4.640 0.016 0.000 0.216 550 D C 1.267 177.653 176.300 0.144 0.000 0.973 550 D CA 0.446 54.511 54.000 0.109 0.000 0.912 550 D CB -0.244 40.613 40.800 0.095 0.000 0.900 550 D HN 0.577 nan 8.370 nan 0.000 0.501 551 F N 0.390 120.343 119.950 0.006 0.000 2.582 551 F HA 0.267 4.804 4.527 0.016 0.000 0.290 551 F C 2.097 177.910 175.800 0.022 0.000 1.115 551 F CA 0.425 58.399 58.000 -0.044 0.000 1.445 551 F CB 0.147 39.081 39.000 -0.111 0.000 1.126 551 F HN -0.090 nan 8.300 nan 0.000 0.574 552 A N 0.716 123.600 122.820 0.107 0.000 1.873 552 A HA -0.032 4.298 4.320 0.016 0.000 0.215 552 A C 2.384 179.934 177.584 -0.057 0.000 1.186 552 A CA 1.742 53.801 52.037 0.037 0.000 0.616 552 A CB -1.480 17.576 19.000 0.094 0.000 0.823 552 A HN 0.436 nan 8.150 nan 0.000 0.442 553 A N -0.958 121.852 122.820 -0.015 0.000 1.877 553 A HA -0.023 4.307 4.320 0.016 0.000 0.216 553 A C 2.038 179.581 177.584 -0.069 0.000 1.186 553 A CA 1.597 53.617 52.037 -0.029 0.000 0.620 553 A CB -0.864 18.140 19.000 0.006 0.000 0.822 553 A HN 0.723 nan 8.150 nan 0.000 0.443 554 F N 1.211 121.026 119.950 -0.226 0.000 2.032 554 F HA -0.300 4.237 4.527 0.016 0.000 0.297 554 F C 2.234 177.830 175.800 -0.341 0.000 1.125 554 F CA 2.535 60.368 58.000 -0.278 0.000 1.202 554 F CB -0.722 38.049 39.000 -0.381 0.000 0.958 554 F HN 0.050 nan 8.300 nan 0.000 0.491 555 V N 0.513 120.272 119.914 -0.257 0.000 2.250 555 V HA -0.396 3.733 4.120 0.016 0.000 0.253 555 V C 2.733 178.668 176.094 -0.266 0.000 1.065 555 V CA 2.849 64.966 62.300 -0.305 0.000 1.039 555 V CB -2.059 29.576 31.823 -0.314 0.000 0.647 555 V HN 0.652 nan 8.190 nan 0.000 0.446 556 E N 0.202 120.280 120.200 -0.204 0.000 2.012 556 E HA -0.349 4.010 4.350 0.016 0.000 0.197 556 E C 2.373 178.860 176.600 -0.188 0.000 1.007 556 E CA 2.236 58.543 56.400 -0.155 0.000 0.816 556 E CB -1.015 28.620 29.700 -0.109 0.000 0.762 556 E HN 0.493 nan 8.360 nan 0.000 0.451 557 K N -0.804 119.465 120.400 -0.218 0.000 2.444 557 K HA -0.135 4.195 4.320 0.016 0.000 0.200 557 K C 1.845 178.278 176.600 -0.278 0.000 1.045 557 K CA 1.503 57.654 56.287 -0.226 0.000 0.934 557 K CB -1.559 30.804 32.500 -0.229 0.000 0.756 557 K HN 0.736 nan 8.250 nan 0.000 0.477 558 c N -2.221 116.166 118.600 -0.355 0.000 3.364 558 c HA 0.392 4.971 4.570 0.016 0.000 0.340 558 c C 1.725 175.713 174.090 -0.170 0.000 1.336 558 c CA -0.249 55.896 56.329 -0.306 0.000 1.778 558 c CB -0.382 41.836 42.510 -0.485 0.000 2.398 558 c HN 0.707 nan 8.230 nan 0.000 0.667 559 c N 0.691 119.201 118.600 -0.150 0.000 2.881 559 c HA 0.240 4.819 4.570 0.016 0.000 0.290 559 c C 1.499 175.545 174.090 -0.074 0.000 1.362 559 c CA 0.104 56.381 56.329 -0.086 0.000 1.757 559 c CB -1.528 40.938 42.510 -0.072 0.000 2.265 559 c HN 0.631 nan 8.230 nan 0.000 0.600 560 K N 0.505 120.853 120.400 -0.086 0.000 2.586 560 K HA 0.418 4.748 4.320 0.016 0.000 0.198 560 K C 0.056 176.618 176.600 -0.064 0.000 1.170 560 K CA 0.128 56.375 56.287 -0.068 0.000 1.069 560 K CB 0.579 33.036 32.500 -0.071 0.000 0.944 560 K HN 0.323 nan 8.250 nan 0.000 0.572 561 A N 0.019 122.797 122.820 -0.071 0.000 2.340 561 A HA 0.476 4.805 4.320 0.016 0.000 0.331 561 A C 0.542 178.099 177.584 -0.044 0.000 1.140 561 A CA 0.222 52.222 52.037 -0.061 0.000 0.801 561 A CB 1.040 19.992 19.000 -0.080 0.000 1.234 561 A HN 0.309 nan 8.150 nan 0.000 0.469 562 D N 0.417 120.797 120.400 -0.033 0.000 2.315 562 D HA -0.086 4.564 4.640 0.016 0.000 0.211 562 D C 0.313 176.602 176.300 -0.018 0.000 0.977 562 D CA 1.669 55.656 54.000 -0.023 0.000 0.894 562 D CB 0.000 40.789 40.800 -0.019 0.000 0.910 562 D HN 0.532 nan 8.370 nan 0.000 0.490 563 D N -0.971 119.416 120.400 -0.021 0.000 2.739 563 D HA 0.368 5.017 4.640 0.016 0.000 0.335 563 D C 0.256 176.550 176.300 -0.009 0.000 1.216 563 D CA 0.082 54.075 54.000 -0.011 0.000 0.808 563 D CB 0.044 40.840 40.800 -0.006 0.000 1.121 563 D HN 0.538 nan 8.370 nan 0.000 0.499 564 K N 0.895 121.290 120.400 -0.009 0.000 2.440 564 K HA 0.144 4.474 4.320 0.016 0.000 0.270 564 K C 1.083 177.701 176.600 0.031 0.000 0.980 564 K CA 0.538 56.827 56.287 0.002 0.000 0.953 564 K CB 0.028 32.532 32.500 0.007 0.000 0.925 564 K HN 0.502 nan 8.250 nan 0.000 0.497 565 E N -0.756 119.482 120.200 0.063 0.000 4.549 565 E HA -0.194 4.165 4.350 0.016 0.000 0.193 565 E C 1.620 178.277 176.600 0.095 0.000 0.844 565 E CA 1.825 58.283 56.400 0.097 0.000 2.448 565 E CB -1.557 28.182 29.700 0.065 0.000 1.641 565 E HN 0.771 nan 8.360 nan 0.000 0.584 566 T N 0.035 114.624 114.554 0.059 0.000 2.976 566 T HA -0.026 4.333 4.350 0.016 0.000 0.257 566 T C 1.629 176.364 174.700 0.058 0.000 1.051 566 T CA 1.229 63.362 62.100 0.055 0.000 1.141 566 T CB -0.166 68.721 68.868 0.031 0.000 0.881 566 T HN 0.451 nan 8.240 nan 0.000 0.461 567 c N 1.181 119.796 118.600 0.025 0.000 2.440 567 c HA 0.039 4.619 4.570 0.016 0.000 0.278 567 c C 2.792 176.903 174.090 0.035 0.000 1.295 567 c CA 1.021 57.337 56.329 -0.022 0.000 1.738 567 c CB -1.640 40.803 42.510 -0.111 0.000 1.987 567 c HN 0.599 nan 8.230 nan 0.000 0.492 568 F N -0.150 119.875 119.950 0.126 0.000 2.407 568 F HA 0.394 4.930 4.527 0.016 0.000 0.299 568 F C 2.345 178.365 175.800 0.366 0.000 1.097 568 F CA 1.412 59.628 58.000 0.360 0.000 1.422 568 F CB -1.108 38.098 39.000 0.343 0.000 1.067 568 F HN 0.525 nan 8.300 nan 0.000 0.539 569 A N -0.167 122.788 122.820 0.225 0.000 1.924 569 A HA 0.337 4.666 4.320 0.016 0.000 0.211 569 A C 2.017 179.696 177.584 0.158 0.000 1.198 569 A CA 1.585 53.725 52.037 0.171 0.000 0.657 569 A CB -1.206 17.875 19.000 0.136 0.000 0.852 569 A HN 0.667 nan 8.150 nan 0.000 0.454 570 E N 0.147 120.434 120.200 0.143 0.000 2.016 570 E HA -0.146 4.213 4.350 0.016 0.000 0.190 570 E C 1.832 178.534 176.600 0.171 0.000 0.985 570 E CA 1.346 57.819 56.400 0.121 0.000 0.802 570 E CB -0.670 29.079 29.700 0.081 0.000 0.762 570 E HN 0.474 nan 8.360 nan 0.000 0.448 571 E N 0.316 120.647 120.200 0.218 0.000 2.153 571 E HA -0.065 4.295 4.350 0.016 0.000 0.194 571 E C 2.370 179.319 176.600 0.582 0.000 0.988 571 E CA 1.042 57.645 56.400 0.337 0.000 0.811 571 E CB -0.711 29.110 29.700 0.201 0.000 0.746 571 E HN 0.533 nan 8.360 nan 0.000 0.466 572 G N 1.043 110.218 108.800 0.626 0.000 2.422 572 G HA2 -0.278 3.691 3.960 0.016 0.000 0.218 572 G HA3 -0.278 3.691 3.960 0.016 0.000 0.218 572 G C 1.873 176.885 174.900 0.187 0.000 1.146 572 G CA 0.840 46.191 45.100 0.418 0.000 0.769 572 G HN 0.195 nan 8.290 nan 0.000 0.547 573 K N 0.306 120.799 120.400 0.156 0.000 2.211 573 K HA 0.055 4.385 4.320 0.016 0.000 0.203 573 K C 2.485 179.134 176.600 0.083 0.000 1.050 573 K CA 1.258 57.599 56.287 0.090 0.000 0.945 573 K CB -0.222 32.323 32.500 0.075 0.000 0.732 573 K HN 0.490 nan 8.250 nan 0.000 0.451 574 K N -0.161 120.313 120.400 0.122 0.000 2.103 574 K HA 0.053 4.382 4.320 0.016 0.000 0.204 574 K C 2.115 178.768 176.600 0.089 0.000 1.052 574 K CA 0.865 57.212 56.287 0.101 0.000 0.945 574 K CB -0.209 32.366 32.500 0.126 0.000 0.722 574 K HN 0.015 nan 8.250 nan 0.000 0.443 575 L N 0.841 122.131 121.223 0.111 0.000 1.988 575 L HA -0.159 4.190 4.340 0.016 0.000 0.207 575 L C 2.150 179.051 176.870 0.052 0.000 1.071 575 L CA 1.424 56.310 54.840 0.077 0.000 0.744 575 L CB -0.523 41.554 42.059 0.030 0.000 0.893 575 L HN -0.116 nan 8.230 nan 0.000 0.433 576 V N -0.186 119.764 119.914 0.061 0.000 2.380 576 V HA -0.354 3.775 4.120 0.016 0.000 0.251 576 V C 2.620 178.678 176.094 -0.060 0.000 1.063 576 V CA 1.715 64.026 62.300 0.018 0.000 1.055 576 V CB -1.192 30.679 31.823 0.079 0.000 0.657 576 V HN 0.590 nan 8.190 nan 0.000 0.455 577 A N -0.199 122.599 122.820 -0.036 0.000 1.832 577 A HA -0.038 4.292 4.320 0.016 0.000 0.214 577 A C 2.467 180.026 177.584 -0.042 0.000 1.204 577 A CA 1.936 53.939 52.037 -0.058 0.000 0.606 577 A CB -1.044 17.940 19.000 -0.027 0.000 0.849 577 A HN 0.552 nan 8.150 nan 0.000 0.445 578 A N -0.520 122.296 122.820 -0.008 0.000 1.873 578 A HA -0.157 4.172 4.320 0.016 0.000 0.218 578 A C 2.483 180.061 177.584 -0.010 0.000 1.193 578 A CA 2.450 54.486 52.037 -0.000 0.000 0.629 578 A CB -1.190 17.824 19.000 0.023 0.000 0.826 578 A HN 0.462 nan 8.150 nan 0.000 0.447 579 S N -0.944 114.749 115.700 -0.010 0.000 2.365 579 S HA -0.224 4.255 4.470 0.016 0.000 0.221 579 S C 2.219 176.796 174.600 -0.039 0.000 1.037 579 S CA 1.668 59.856 58.200 -0.020 0.000 1.060 579 S CB -0.542 62.641 63.200 -0.028 0.000 0.974 579 S HN 0.666 nan 8.310 nan 0.000 0.427 580 Q N 0.170 119.926 119.800 -0.073 0.000 2.197 580 Q HA -0.218 4.131 4.340 0.016 0.000 0.211 580 Q C 2.464 178.433 176.000 -0.053 0.000 0.993 580 Q CA 1.429 57.180 55.803 -0.087 0.000 0.883 580 Q CB -1.029 27.596 28.738 -0.188 0.000 0.916 580 Q HN 0.739 nan 8.270 nan 0.000 0.418 581 A N -0.229 122.562 122.820 -0.047 0.000 1.930 581 A HA 0.237 4.566 4.320 0.016 0.000 0.215 581 A C 2.376 179.949 177.584 -0.020 0.000 1.176 581 A CA 1.428 53.445 52.037 -0.032 0.000 0.632 581 A CB -0.830 18.153 19.000 -0.028 0.000 0.819 581 A HN 0.568 nan 8.150 nan 0.000 0.445 582 A N 0.341 123.152 122.820 -0.015 0.000 1.858 582 A HA -0.058 4.272 4.320 0.016 0.000 0.216 582 A C 1.903 179.481 177.584 -0.010 0.000 1.190 582 A CA 1.498 53.530 52.037 -0.008 0.000 0.617 582 A CB -0.759 18.240 19.000 -0.002 0.000 0.827 582 A HN 0.485 nan 8.150 nan 0.000 0.443 583 L N -0.098 121.118 121.223 -0.011 0.000 2.622 583 L HA 0.178 4.528 4.340 0.016 0.000 0.233 583 L C 1.454 178.314 176.870 -0.017 0.000 1.156 583 L CA 0.023 54.856 54.840 -0.012 0.000 0.866 583 L CB -1.789 40.267 42.059 -0.005 0.000 0.980 583 L HN 0.620 nan 8.230 nan 0.000 0.448 584 G N 0.000 108.790 108.800 -0.017 0.000 5.446 584 G HA2 0.000 3.969 3.960 0.016 0.000 0.244 584 G HA3 0.000 3.969 3.960 0.016 0.000 0.244 584 G CA 0.000 45.089 45.100 -0.019 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925