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 2jke_1_A DATA FIRST_RESID 22 DATA SEQUENCE QQKLTSPDNN LVMTFQVDSK GAPTYELTYK NKVVIKPSTL GLELKKEXXX DATA SEQUENCE XXXXXXXXXX XXXXXDSKTN LYDGFEVKDT QTATFDETWQ PVWGEEKEIR DATA SEQUENCE NHYNELAVTL YQPMNDRSIV IRFRLFNDGL GFRYEFPQQK SLNYFVIKEE DATA SEQUENCE HSQFGMNGDH IAFWIPGDYD TQEYDYTISR LSEIRGLMKE AITPNSSQTP DATA SEQUENCE FSQTGVQTAL MMKTDDGLYI NLHEAALVDY SCMHLNLDDK NMVFESWLTP DATA SEQUENCE DAKGDKGYMQ TPCNTPWRTI IVSDDARNIL ASRITLNLNE PCKIADAASW DATA SEQUENCE VKPVKYIGVW WDMITGKGSW AYTDELTSVK LGETDYSKTK PNGKHSANTA DATA SEQUENCE NVKRYIDFAA AHGFDAVLVE GWNEGWEDWF GNSKDYVFDF VTPYPDFDVK DATA SEQUENCE EIHRYAARKG IKMMMHHETS ASVRNYERHM DKAYQFMADN GYNSVKSGYV DATA SEQUENCE GNIIPRGEHH YGQWMNNHYL YAVKKAADYK IMVNAHEATR PTGICRTYPN DATA SEQUENCE LIGNESARGT EYESFGGNKV YHTTILPFTR LVGGPMDYTP GIFETHCNKM DATA SEQUENCE NPANNSQVRS TIARQLALYV TMYSPLQMAA DIPENYERFM DAFQFIKDVA DATA SEQUENCE LDWDETNYLE AEPGEYITIA RKAKDTDDWY VGCTAGENGH TSKLVFDFLT DATA SEQUENCE PGKQYIATVY ADAKDADWKE NPQAYTIKKG ILTNKSKLNL HAANGGGYAI DATA SEQUENCE SIKEV 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 22 Q HA 0.000 nan 4.340 nan 0.000 0.214 22 Q C 0.000 176.036 176.000 0.061 0.000 1.003 22 Q CA 0.000 55.819 55.803 0.027 0.000 1.022 22 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 23 Q N 2.329 122.193 119.800 0.106 0.000 2.306 23 Q HA 0.543 4.883 4.340 0.000 0.000 0.265 23 Q C -1.328 174.699 176.000 0.045 0.000 1.022 23 Q CA -0.641 55.214 55.803 0.087 0.000 0.853 23 Q CB 2.333 31.142 28.738 0.118 0.000 1.327 23 Q HN 0.444 nan 8.270 nan 0.000 0.449 24 K N 1.356 121.768 120.400 0.019 0.000 2.324 24 K HA 0.553 4.874 4.320 0.000 0.000 0.253 24 K C -1.343 175.254 176.600 -0.005 0.000 0.932 24 K CA -0.540 55.749 56.287 0.003 0.000 0.799 24 K CB 1.480 33.985 32.500 0.008 0.000 1.154 24 K HN 0.309 nan 8.250 nan 0.000 0.425 25 L N 1.634 122.847 121.223 -0.016 0.000 2.386 25 L HA 0.625 4.965 4.340 0.000 0.000 0.271 25 L C -1.216 175.663 176.870 0.015 0.000 0.993 25 L CA 0.152 54.989 54.840 -0.005 0.000 0.819 25 L CB 2.325 44.371 42.059 -0.021 0.000 1.294 25 L HN 0.640 nan 8.230 nan 0.000 0.414 26 T N 1.956 116.521 114.554 0.019 0.000 2.887 26 T HA 0.557 4.907 4.350 0.000 0.000 0.288 26 T C -0.279 174.433 174.700 0.021 0.000 1.021 26 T CA -0.454 61.660 62.100 0.024 0.000 1.000 26 T CB 1.500 70.377 68.868 0.015 0.000 1.034 26 T HN 0.784 nan 8.240 nan 0.000 0.467 27 S N 2.222 117.942 115.700 0.034 0.000 2.589 27 S HA 0.198 4.668 4.470 0.000 0.000 0.265 27 S C -1.848 172.738 174.600 -0.024 0.000 1.342 27 S CA -0.942 57.267 58.200 0.016 0.000 1.005 27 S CB 0.181 63.421 63.200 0.066 0.000 0.909 27 S HN 0.351 nan 8.310 nan 0.000 0.555 28 P HA -0.105 nan 4.420 nan 0.000 0.216 28 P C 0.702 178.000 177.300 -0.004 0.000 1.150 28 P CA 1.509 64.553 63.100 -0.094 0.000 0.837 28 P CB -0.181 31.329 31.700 -0.317 0.000 0.786 29 D N -2.146 118.262 120.400 0.012 0.000 2.328 29 D HA -0.010 4.630 4.640 0.000 0.000 0.221 29 D C 0.155 176.465 176.300 0.016 0.000 1.072 29 D CA -0.220 53.799 54.000 0.032 0.000 0.850 29 D CB -1.447 39.383 40.800 0.050 0.000 0.922 29 D HN 0.097 nan 8.370 nan 0.000 0.516 30 N N -0.636 118.070 118.700 0.011 0.000 2.900 30 N HA -0.226 4.515 4.740 0.000 0.000 0.240 30 N C 0.506 176.010 175.510 -0.010 0.000 0.953 30 N CA 0.975 54.028 53.050 0.004 0.000 0.950 30 N CB -1.237 37.251 38.487 0.000 0.000 1.102 30 N HN 0.143 nan 8.380 nan 0.000 0.593 31 N N -0.117 118.574 118.700 -0.014 0.000 2.354 31 N HA 0.069 4.809 4.740 0.000 0.000 0.179 31 N C -0.140 175.346 175.510 -0.039 0.000 1.021 31 N CA 0.899 53.903 53.050 -0.078 0.000 0.887 31 N CB 0.204 38.606 38.487 -0.142 0.000 0.974 31 N HN 0.251 nan 8.380 nan 0.000 0.437 32 L N 0.173 121.431 121.223 0.060 0.000 2.334 32 L HA 0.477 4.817 4.340 0.000 0.000 0.276 32 L C -0.455 176.468 176.870 0.088 0.000 1.014 32 L CA -0.643 54.272 54.840 0.125 0.000 0.815 32 L CB 2.435 44.619 42.059 0.209 0.000 1.268 32 L HN -0.323 nan 8.230 nan 0.000 0.428 33 V N 3.248 123.216 119.914 0.090 0.000 2.577 33 V HA 0.496 4.616 4.120 0.000 0.000 0.303 33 V C -0.413 175.724 176.094 0.073 0.000 1.042 33 V CA -0.514 61.823 62.300 0.063 0.000 0.872 33 V CB 1.938 33.784 31.823 0.038 0.000 0.998 33 V HN 0.730 nan 8.190 nan 0.000 0.423 34 M N 4.854 124.486 119.600 0.054 0.000 2.227 34 M HA 0.535 5.015 4.480 0.000 0.000 0.335 34 M C -0.252 176.038 176.300 -0.018 0.000 1.053 34 M CA -0.263 55.060 55.300 0.039 0.000 0.973 34 M CB 1.813 34.428 32.600 0.025 0.000 1.623 34 M HN 0.879 nan 8.290 nan 0.000 0.434 35 T N 1.843 116.393 114.554 -0.007 0.000 2.797 35 T HA 0.591 4.941 4.350 0.000 0.000 0.279 35 T C -0.944 173.754 174.700 -0.002 0.000 0.991 35 T CA -0.603 61.489 62.100 -0.013 0.000 0.979 35 T CB 1.393 70.252 68.868 -0.015 0.000 0.943 35 T HN 0.522 nan 8.240 nan 0.000 0.444 36 F N 3.158 123.011 119.950 -0.160 0.000 2.508 36 F HA 0.640 5.167 4.527 0.000 0.000 0.325 36 F C -0.465 175.297 175.800 -0.063 0.000 1.090 36 F CA -0.566 57.344 58.000 -0.149 0.000 0.945 36 F CB 1.793 40.632 39.000 -0.269 0.000 1.156 36 F HN 0.937 nan 8.300 nan 0.000 0.463 37 Q N 3.790 122.984 119.800 -1.010 0.000 2.575 37 Q HA 0.580 4.920 4.340 0.000 0.000 0.290 37 Q C -2.264 173.237 176.000 -0.831 0.000 0.963 37 Q CA -1.146 54.237 55.803 -0.700 0.000 0.783 37 Q CB 2.197 30.769 28.738 -0.277 0.000 1.467 37 Q HN 0.471 nan 8.270 nan 0.000 0.402 38 V N 2.653 122.343 119.914 -0.373 0.000 2.439 38 V HA 0.190 4.311 4.120 0.000 0.000 0.282 38 V C -0.055 175.979 176.094 -0.100 0.000 1.039 38 V CA -0.176 62.019 62.300 -0.176 0.000 0.913 38 V CB 1.143 32.977 31.823 0.018 0.000 0.983 38 V HN 0.923 nan 8.190 nan 0.000 0.460 39 D N 3.206 123.567 120.400 -0.066 0.000 2.440 39 D HA 0.077 4.717 4.640 0.000 0.000 0.269 39 D C 1.438 177.735 176.300 -0.006 0.000 1.249 39 D CA 0.030 54.006 54.000 -0.040 0.000 1.055 39 D CB 0.555 41.334 40.800 -0.036 0.000 1.104 39 D HN 0.300 nan 8.370 nan 0.000 0.561 40 S N -1.591 114.106 115.700 -0.005 0.000 2.423 40 S HA -0.154 4.316 4.470 0.000 0.000 0.231 40 S C 1.321 175.928 174.600 0.012 0.000 1.014 40 S CA 1.231 59.432 58.200 0.003 0.000 0.965 40 S CB -0.470 62.730 63.200 -0.002 0.000 0.785 40 S HN 0.573 nan 8.310 nan 0.000 0.495 41 K N -0.311 120.101 120.400 0.020 0.000 2.410 41 K HA 0.401 4.722 4.320 0.000 0.000 0.200 41 K C 0.993 177.620 176.600 0.045 0.000 1.023 41 K CA 0.515 56.818 56.287 0.027 0.000 1.149 41 K CB -0.172 32.348 32.500 0.032 0.000 0.859 41 K HN 0.268 nan 8.250 nan 0.000 0.514 42 G N 0.630 109.465 108.800 0.060 0.000 2.147 42 G HA2 -0.288 3.672 3.960 0.000 0.000 0.244 42 G HA3 -0.288 3.672 3.960 0.000 0.000 0.244 42 G C 0.096 175.118 174.900 0.205 0.000 1.005 42 G CA -0.027 45.138 45.100 0.109 0.000 0.713 42 G HN 0.655 nan 8.290 nan 0.000 0.515 43 A N 0.545 123.460 122.820 0.157 0.000 2.320 43 A HA 0.756 5.076 4.320 0.000 0.000 0.287 43 A C -1.809 175.841 177.584 0.111 0.000 1.181 43 A CA -1.418 50.740 52.037 0.202 0.000 0.831 43 A CB 0.796 19.886 19.000 0.151 0.000 1.102 43 A HN 0.138 nan 8.150 nan 0.000 0.513 44 P HA 0.288 nan 4.420 nan 0.000 0.271 44 P C -0.443 176.853 177.300 -0.006 0.000 1.220 44 P CA 0.400 63.517 63.100 0.028 0.000 0.768 44 P CB 0.937 32.768 31.700 0.219 0.000 0.848 45 T N 3.273 117.687 114.554 -0.234 0.000 2.893 45 T HA 0.610 4.961 4.350 0.000 0.000 0.293 45 T C -0.827 173.830 174.700 -0.072 0.000 1.027 45 T CA -0.435 61.602 62.100 -0.105 0.000 0.988 45 T CB 0.931 69.702 68.868 -0.161 0.000 1.043 45 T HN 0.389 nan 8.240 nan 0.000 0.461 46 Y N 0.182 120.416 120.300 -0.111 0.000 2.609 46 Y HA 0.848 5.398 4.550 0.000 0.000 0.342 46 Y C -0.710 175.157 175.900 -0.055 0.000 1.058 46 Y CA -1.209 56.841 58.100 -0.083 0.000 1.055 46 Y CB 1.679 40.112 38.460 -0.045 0.000 1.292 46 Y HN 0.774 nan 8.280 nan 0.000 0.476 47 E N 2.213 122.293 120.200 -0.199 0.000 2.433 47 E HA 0.646 4.997 4.350 0.000 0.000 0.278 47 E C -2.431 174.161 176.600 -0.013 0.000 0.976 47 E CA -1.207 55.051 56.400 -0.238 0.000 0.793 47 E CB 2.938 32.552 29.700 -0.145 0.000 1.311 47 E HN 0.774 nan 8.360 nan 0.000 0.460 48 L N 0.999 122.241 121.223 0.032 0.000 2.464 48 L HA 0.569 4.909 4.340 0.000 0.000 0.266 48 L C -1.268 175.677 176.870 0.124 0.000 0.965 48 L CA 0.091 55.011 54.840 0.133 0.000 0.833 48 L CB 2.403 44.609 42.059 0.244 0.000 1.296 48 L HN 0.880 nan 8.230 nan 0.000 0.405 49 T N 1.036 115.667 114.554 0.128 0.000 2.908 49 T HA 0.627 4.978 4.350 0.000 0.000 0.290 49 T C -1.240 173.581 174.700 0.201 0.000 1.034 49 T CA -0.577 61.606 62.100 0.138 0.000 1.010 49 T CB 1.587 70.504 68.868 0.081 0.000 1.068 49 T HN 0.561 nan 8.240 nan 0.000 0.481 50 Y N 1.211 121.549 120.300 0.063 0.000 2.329 50 Y HA 0.439 4.989 4.550 0.000 0.000 0.328 50 Y C 0.136 176.065 175.900 0.048 0.000 0.992 50 Y CA -0.946 57.191 58.100 0.062 0.000 1.151 50 Y CB 1.198 39.700 38.460 0.070 0.000 1.150 50 Y HN 0.968 nan 8.280 nan 0.000 0.450 51 K N 5.281 125.421 120.400 -0.434 0.000 3.278 51 K HA -0.361 3.959 4.320 0.000 0.000 0.270 51 K C -0.010 176.525 176.600 -0.108 0.000 0.955 51 K CA 1.372 57.464 56.287 -0.325 0.000 0.723 51 K CB -1.417 30.797 32.500 -0.477 0.000 1.382 51 K HN 1.037 nan 8.250 nan 0.000 0.461 52 N N -1.431 117.241 118.700 -0.046 0.000 2.753 52 N HA -0.223 4.517 4.740 0.000 0.000 0.251 52 N C -0.887 174.641 175.510 0.030 0.000 1.097 52 N CA 1.591 54.640 53.050 -0.002 0.000 0.786 52 N CB -0.380 38.101 38.487 -0.011 0.000 1.137 52 N HN 0.446 nan 8.380 nan 0.000 0.566 53 K N 0.678 121.116 120.400 0.064 0.000 2.182 53 K HA 0.502 4.823 4.320 0.000 0.000 0.262 53 K C -0.219 176.449 176.600 0.114 0.000 0.957 53 K CA -0.771 55.572 56.287 0.093 0.000 0.842 53 K CB 2.252 34.829 32.500 0.128 0.000 1.099 53 K HN -0.162 nan 8.250 nan 0.000 0.438 54 V N 3.774 123.743 119.914 0.091 0.000 2.529 54 V HA -0.049 4.071 4.120 0.000 0.000 0.292 54 V C 1.015 177.183 176.094 0.124 0.000 1.028 54 V CA 0.244 62.599 62.300 0.092 0.000 1.074 54 V CB 1.030 32.893 31.823 0.067 0.000 0.958 54 V HN 0.673 nan 8.190 nan 0.000 0.481 55 V N 5.337 125.334 119.914 0.138 0.000 2.806 55 V HA 0.254 4.375 4.120 0.000 0.000 0.239 55 V C 0.438 176.641 176.094 0.181 0.000 1.113 55 V CA 0.568 62.963 62.300 0.159 0.000 1.137 55 V CB 0.376 32.300 31.823 0.168 0.000 0.865 55 V HN 0.597 nan 8.190 nan 0.000 0.482 56 I N 1.647 122.302 120.570 0.142 0.000 2.382 56 I HA 0.377 4.547 4.170 0.000 0.000 0.286 56 I C 0.062 176.164 176.117 -0.026 0.000 1.002 56 I CA -0.608 60.745 61.300 0.088 0.000 1.135 56 I CB 1.248 39.291 38.000 0.071 0.000 1.288 56 I HN 0.228 nan 8.210 nan 0.000 0.448 57 K N 6.174 126.564 120.400 -0.016 0.000 2.187 57 K HA 0.242 4.562 4.320 0.000 0.000 0.247 57 K C -2.302 174.210 176.600 -0.146 0.000 1.019 57 K CA -1.329 54.925 56.287 -0.056 0.000 0.893 57 K CB -0.016 32.469 32.500 -0.025 0.000 1.025 57 K HN 0.248 nan 8.250 nan 0.000 0.500 58 P HA -0.044 nan 4.420 nan 0.000 0.260 58 P C -1.186 176.012 177.300 -0.171 0.000 1.172 58 P CA 0.737 63.733 63.100 -0.172 0.000 0.760 58 P CB 0.528 32.163 31.700 -0.108 0.000 0.773 59 S N 1.158 116.707 115.700 -0.253 0.000 2.548 59 S HA 0.519 4.989 4.470 0.000 0.000 0.276 59 S C -0.271 174.321 174.600 -0.013 0.000 1.129 59 S CA -0.685 57.418 58.200 -0.162 0.000 0.931 59 S CB 1.355 64.374 63.200 -0.303 0.000 1.068 59 S HN 0.477 nan 8.310 nan 0.000 0.480 60 T N 0.963 115.553 114.554 0.060 0.000 2.918 60 T HA 0.788 5.138 4.350 0.000 0.000 0.283 60 T C -0.337 174.476 174.700 0.188 0.000 1.001 60 T CA -0.742 61.428 62.100 0.116 0.000 1.041 60 T CB 0.286 69.211 68.868 0.095 0.000 1.028 60 T HN 0.429 nan 8.240 nan 0.000 0.511 61 L N 0.685 122.038 121.223 0.217 0.000 2.381 61 L HA 0.810 5.150 4.340 0.000 0.000 0.268 61 L C 0.479 177.591 176.870 0.404 0.000 0.997 61 L CA -0.733 54.283 54.840 0.293 0.000 0.818 61 L CB 2.109 44.234 42.059 0.111 0.000 1.310 61 L HN 1.208 nan 8.230 nan 0.000 0.416 62 G N 1.775 110.864 108.800 0.481 0.000 2.356 62 G HA2 0.432 4.392 3.960 0.000 0.000 0.300 62 G HA3 0.432 4.392 3.960 0.000 0.000 0.300 62 G C -2.275 172.759 174.900 0.224 0.000 1.331 62 G CA -0.820 44.501 45.100 0.368 0.000 0.905 62 G HN 0.327 nan 8.290 nan 0.000 0.587 63 L N -0.376 120.995 121.223 0.246 0.000 2.376 63 L HA 0.753 5.093 4.340 0.000 0.000 0.258 63 L C -0.164 176.925 176.870 0.364 0.000 1.013 63 L CA -0.788 54.161 54.840 0.182 0.000 0.822 63 L CB 2.401 44.467 42.059 0.011 0.000 1.388 63 L HN 0.797 nan 8.230 nan 0.000 0.413 64 E N 1.551 121.921 120.200 0.283 0.000 2.166 64 E HA 0.639 4.989 4.350 0.000 0.000 0.275 64 E C -1.518 175.137 176.600 0.093 0.000 0.941 64 E CA -0.559 56.020 56.400 0.298 0.000 0.784 64 E CB 1.146 31.050 29.700 0.341 0.000 1.115 64 E HN 0.472 nan 8.360 nan 0.000 0.399 65 L N 3.402 124.659 121.223 0.057 0.000 2.344 65 L HA 0.438 4.778 4.340 0.000 0.000 0.272 65 L C 0.391 177.256 176.870 -0.008 0.000 1.035 65 L CA -0.999 53.847 54.840 0.010 0.000 0.807 65 L CB 1.204 43.254 42.059 -0.017 0.000 1.237 65 L HN 0.505 nan 8.230 nan 0.000 0.442 66 K N 2.142 122.517 120.400 -0.041 0.000 2.382 66 K HA 0.047 4.367 4.320 0.000 0.000 0.275 66 K C -0.032 176.548 176.600 -0.033 0.000 1.009 66 K CA -0.223 56.033 56.287 -0.053 0.000 0.970 66 K CB 0.658 33.096 32.500 -0.103 0.000 0.934 66 K HN 0.437 nan 8.250 nan 0.000 0.479 67 K N 3.228 123.613 120.400 -0.025 0.000 2.448 67 K HA -0.041 4.279 4.320 0.000 0.000 0.278 67 K C -0.304 176.285 176.600 -0.019 0.000 1.009 67 K CA 0.245 56.521 56.287 -0.019 0.000 0.995 67 K CB 0.534 33.026 32.500 -0.014 0.000 0.917 67 K HN 0.573 nan 8.250 nan 0.000 0.481 88 S N 1.027 116.684 115.700 -0.070 0.000 2.447 88 S HA -0.080 4.391 4.470 0.000 0.000 0.233 88 S C 1.553 176.067 174.600 -0.143 0.000 1.006 88 S CA 0.992 59.125 58.200 -0.111 0.000 0.957 88 S CB -0.146 62.983 63.200 -0.119 0.000 0.773 88 S HN 0.156 nan 8.310 nan 0.000 0.507 89 K N 1.092 121.425 120.400 -0.111 0.000 2.362 89 K HA -0.032 4.288 4.320 0.000 0.000 0.200 89 K C 2.209 178.736 176.600 -0.122 0.000 1.046 89 K CA 1.423 57.637 56.287 -0.121 0.000 0.952 89 K CB -0.436 32.014 32.500 -0.083 0.000 0.753 89 K HN 0.772 nan 8.250 nan 0.000 0.466 90 T N -0.974 113.526 114.554 -0.091 0.000 3.035 90 T HA -0.083 4.267 4.350 0.000 0.000 0.268 90 T C 0.899 175.551 174.700 -0.080 0.000 1.109 90 T CA 0.295 62.364 62.100 -0.053 0.000 1.119 90 T CB -0.162 68.707 68.868 0.003 0.000 0.900 90 T HN -0.044 nan 8.240 nan 0.000 0.503 91 N N 1.383 119.944 118.700 -0.233 0.000 2.439 91 N HA 0.152 4.893 4.740 0.000 0.000 0.243 91 N C -0.633 174.550 175.510 -0.544 0.000 1.088 91 N CA -0.589 52.098 53.050 -0.605 0.000 0.940 91 N CB 0.854 38.923 38.487 -0.696 0.000 1.180 91 N HN 0.232 nan 8.380 nan 0.000 0.505 92 L N 5.621 126.638 121.223 -0.344 0.000 3.154 92 L HA 0.302 4.642 4.340 0.000 0.000 0.266 92 L C -0.501 176.507 176.870 0.230 0.000 1.300 92 L CA -0.228 54.572 54.840 -0.068 0.000 1.028 92 L CB -0.384 41.683 42.059 0.013 0.000 1.412 92 L HN 0.561 nan 8.230 nan 0.000 0.564 93 Y N -3.350 117.090 120.300 0.235 0.000 2.441 93 Y HA 0.561 5.111 4.550 0.000 0.000 0.266 93 Y C 0.097 176.199 175.900 0.337 0.000 1.093 93 Y CA -0.669 57.633 58.100 0.337 0.000 1.246 93 Y CB -0.079 38.496 38.460 0.192 0.000 1.262 93 Y HN 0.243 nan 8.280 nan 0.000 0.518 94 D N -1.602 118.786 120.400 -0.020 0.000 2.812 94 D HA 0.480 5.120 4.640 0.000 0.000 0.318 94 D C 0.967 177.067 176.300 -0.333 0.000 1.234 94 D CA -0.643 53.392 54.000 0.059 0.000 0.989 94 D CB 0.807 41.722 40.800 0.191 0.000 1.442 94 D HN 0.451 nan 8.370 nan 0.000 0.537 95 G N -1.491 107.210 108.800 -0.166 0.000 2.153 95 G HA2 -0.197 3.763 3.960 0.000 0.000 0.252 95 G HA3 -0.197 3.763 3.960 0.000 0.000 0.252 95 G C -0.427 174.291 174.900 -0.304 0.000 0.994 95 G CA 0.296 45.243 45.100 -0.254 0.000 0.698 95 G HN 0.320 nan 8.290 nan 0.000 0.521 96 F N 1.019 120.951 119.950 -0.031 0.000 2.378 96 F HA 0.619 5.146 4.527 0.000 0.000 0.325 96 F C 0.846 176.668 175.800 0.036 0.000 1.097 96 F CA -0.354 57.644 58.000 -0.004 0.000 1.079 96 F CB 1.097 40.130 39.000 0.055 0.000 1.240 96 F HN 0.368 nan 8.300 nan 0.000 0.519 97 E N -0.390 119.985 120.200 0.293 0.000 2.343 97 E HA 0.561 4.911 4.350 0.000 0.000 0.270 97 E C -1.748 174.999 176.600 0.245 0.000 0.895 97 E CA -1.113 55.423 56.400 0.227 0.000 0.767 97 E CB 2.055 31.864 29.700 0.181 0.000 1.248 97 E HN 0.240 nan 8.360 nan 0.000 0.440 98 V N 3.088 123.122 119.914 0.200 0.000 2.421 98 V HA -0.002 4.119 4.120 0.000 0.000 0.271 98 V C 1.270 177.445 176.094 0.136 0.000 1.031 98 V CA 0.345 62.751 62.300 0.176 0.000 1.032 98 V CB 0.453 32.385 31.823 0.181 0.000 1.009 98 V HN 0.811 nan 8.190 nan 0.000 0.477 99 K N 3.374 123.849 120.400 0.125 0.000 2.202 99 K HA 0.079 4.399 4.320 0.000 0.000 0.201 99 K C 0.121 176.747 176.600 0.042 0.000 1.051 99 K CA 1.107 57.443 56.287 0.081 0.000 0.977 99 K CB 0.474 33.021 32.500 0.078 0.000 0.792 99 K HN 0.977 nan 8.250 nan 0.000 0.469 100 D N -1.422 119.000 120.400 0.037 0.000 2.710 100 D HA 0.144 4.784 4.640 0.000 0.000 0.276 100 D C -1.311 174.993 176.300 0.007 0.000 1.267 100 D CA -0.803 53.208 54.000 0.019 0.000 0.772 100 D CB 1.316 42.119 40.800 0.006 0.000 1.299 100 D HN 0.060 nan 8.370 nan 0.000 0.421 101 T N -2.210 112.347 114.554 0.004 0.000 2.909 101 T HA 0.707 5.057 4.350 0.000 0.000 0.299 101 T C -1.191 173.509 174.700 -0.001 0.000 1.073 101 T CA -0.909 61.187 62.100 -0.006 0.000 0.999 101 T CB 1.881 70.751 68.868 0.003 0.000 1.098 101 T HN 0.416 nan 8.240 nan 0.000 0.477 102 Q N 1.695 121.493 119.800 -0.003 0.000 2.331 102 Q HA 0.593 4.933 4.340 0.000 0.000 0.272 102 Q C -0.626 175.386 176.000 0.020 0.000 1.062 102 Q CA -0.682 55.126 55.803 0.008 0.000 0.806 102 Q CB 2.510 31.253 28.738 0.007 0.000 1.312 102 Q HN 1.065 nan 8.270 nan 0.000 0.431 103 T N -1.526 113.044 114.554 0.027 0.000 2.932 103 T HA 0.987 5.338 4.350 0.000 0.000 0.289 103 T C -0.500 174.228 174.700 0.045 0.000 1.039 103 T CA -0.762 61.361 62.100 0.038 0.000 1.024 103 T CB 2.130 71.016 68.868 0.030 0.000 1.090 103 T HN 0.684 nan 8.240 nan 0.000 0.496 104 A N 0.834 123.690 122.820 0.061 0.000 2.608 104 A HA 0.728 5.049 4.320 0.000 0.000 0.292 104 A C -0.601 177.012 177.584 0.049 0.000 1.066 104 A CA -0.949 51.124 52.037 0.060 0.000 0.676 104 A CB 1.322 20.375 19.000 0.089 0.000 1.277 104 A HN 0.895 nan 8.150 nan 0.000 0.413 105 T N 0.889 115.448 114.554 0.009 0.000 2.841 105 T HA 0.671 5.021 4.350 0.000 0.000 0.283 105 T C -1.417 173.224 174.700 -0.099 0.000 1.000 105 T CA -0.054 62.013 62.100 -0.055 0.000 0.977 105 T CB 0.863 69.712 68.868 -0.032 0.000 0.979 105 T HN 0.655 nan 8.240 nan 0.000 0.446 106 F N 2.450 122.092 119.950 -0.513 0.000 2.540 106 F HA 0.603 5.130 4.527 0.000 0.000 0.317 106 F C -1.047 174.543 175.800 -0.350 0.000 1.104 106 F CA -0.740 56.937 58.000 -0.538 0.000 0.913 106 F CB 1.628 40.034 39.000 -0.989 0.000 1.170 106 F HN 0.403 nan 8.300 nan 0.000 0.450 107 D N 4.571 124.559 120.400 -0.686 0.000 2.337 107 D HA 0.236 4.876 4.640 0.000 0.000 0.238 107 D C -1.548 174.454 176.300 -0.495 0.000 1.331 107 D CA -0.079 53.678 54.000 -0.406 0.000 0.967 107 D CB 0.635 41.204 40.800 -0.386 0.000 1.382 107 D HN 0.477 nan 8.370 nan 0.000 0.549 108 E N 0.807 120.799 120.200 -0.347 0.000 2.356 108 E HA 0.404 4.754 4.350 0.000 0.000 0.275 108 E C -0.391 176.273 176.600 0.107 0.000 0.904 108 E CA -0.690 55.601 56.400 -0.183 0.000 0.757 108 E CB 1.804 31.343 29.700 -0.268 0.000 1.232 108 E HN 0.394 nan 8.360 nan 0.000 0.442 109 T N -0.935 113.672 114.554 0.087 0.000 2.902 109 T HA 0.752 5.103 4.350 0.000 0.000 0.283 109 T C -0.031 174.802 174.700 0.222 0.000 1.009 109 T CA -0.815 61.349 62.100 0.107 0.000 1.051 109 T CB 0.981 69.849 68.868 -0.000 0.000 0.999 109 T HN 0.511 nan 8.240 nan 0.000 0.474 110 W N 0.575 121.882 121.300 0.013 0.000 3.047 110 W HA 0.569 5.230 4.660 0.000 0.000 0.341 110 W C -1.704 174.798 176.519 -0.029 0.000 1.225 110 W CA -1.220 56.123 57.345 -0.004 0.000 1.150 110 W CB 1.145 30.610 29.460 0.009 0.000 1.470 110 W HN 0.634 nan 8.180 nan 0.000 0.578 111 Q N 2.446 122.313 119.800 0.112 0.000 2.325 111 Q HA 0.347 4.687 4.340 0.000 0.000 0.270 111 Q C -2.185 173.811 176.000 -0.006 0.000 1.020 111 Q CA -1.784 53.957 55.803 -0.104 0.000 0.785 111 Q CB 2.752 31.464 28.738 -0.044 0.000 1.259 111 Q HN 0.037 nan 8.270 nan 0.000 0.452 112 P HA 0.035 nan 4.420 nan 0.000 0.274 112 P C 0.563 177.781 177.300 -0.137 0.000 1.246 112 P CA -0.293 62.744 63.100 -0.105 0.000 0.795 112 P CB 1.082 32.609 31.700 -0.289 0.000 1.006 113 V N -0.722 119.058 119.914 -0.223 0.000 2.427 113 V HA -0.046 4.074 4.120 0.000 0.000 0.248 113 V C 0.818 176.901 176.094 -0.017 0.000 1.051 113 V CA 1.370 63.580 62.300 -0.150 0.000 1.048 113 V CB -0.857 30.860 31.823 -0.176 0.000 0.666 113 V HN 0.647 nan 8.190 nan 0.000 0.456 114 W N -1.674 119.631 121.300 0.008 0.000 3.167 114 W HA 0.700 5.360 4.660 0.000 0.000 0.324 114 W C -0.202 176.369 176.519 0.087 0.000 1.230 114 W CA -0.327 57.036 57.345 0.029 0.000 1.184 114 W CB 1.125 30.607 29.460 0.036 0.000 1.414 114 W HN 0.090 nan 8.180 nan 0.000 0.551 115 G N 0.338 109.394 108.800 0.425 0.000 2.340 115 G HA2 0.143 4.103 3.960 0.000 0.000 0.299 115 G HA3 0.143 4.103 3.960 0.000 0.000 0.299 115 G C -0.471 174.446 174.900 0.029 0.000 1.291 115 G CA -0.687 44.533 45.100 0.201 0.000 0.841 115 G HN 0.472 nan 8.290 nan 0.000 0.500 116 E N 0.091 120.100 120.200 -0.318 0.000 2.435 116 E HA 0.092 4.442 4.350 0.000 0.000 0.195 116 E C 0.492 177.018 176.600 -0.123 0.000 1.029 116 E CA 0.965 57.181 56.400 -0.308 0.000 0.865 116 E CB 0.208 29.622 29.700 -0.476 0.000 0.833 116 E HN 0.525 nan 8.360 nan 0.000 0.510 117 E N -0.310 119.825 120.200 -0.110 0.000 2.445 117 E HA 0.163 4.513 4.350 0.000 0.000 0.279 117 E C -0.087 176.444 176.600 -0.116 0.000 1.018 117 E CA -0.652 55.689 56.400 -0.098 0.000 0.816 117 E CB 1.082 30.703 29.700 -0.132 0.000 1.356 117 E HN -0.170 nan 8.360 nan 0.000 0.462 118 K N -0.023 120.314 120.400 -0.105 0.000 2.103 118 K HA -0.033 4.288 4.320 0.000 0.000 0.204 118 K C 0.083 176.577 176.600 -0.177 0.000 1.052 118 K CA 1.280 57.499 56.287 -0.113 0.000 0.945 118 K CB 0.315 32.767 32.500 -0.081 0.000 0.722 118 K HN 0.517 nan 8.250 nan 0.000 0.443 119 E N 0.136 120.216 120.200 -0.200 0.000 2.293 119 E HA 0.374 4.725 4.350 0.000 0.000 0.270 119 E C -1.468 174.927 176.600 -0.342 0.000 0.879 119 E CA -0.585 55.656 56.400 -0.265 0.000 0.756 119 E CB 1.681 31.286 29.700 -0.158 0.000 1.208 119 E HN 0.085 nan 8.360 nan 0.000 0.428 120 I N 3.070 123.303 120.570 -0.562 0.000 2.433 120 I HA 0.406 4.576 4.170 0.000 0.000 0.292 120 I C -0.164 175.767 176.117 -0.310 0.000 1.001 120 I CA -0.800 60.182 61.300 -0.530 0.000 1.119 120 I CB 1.823 39.264 38.000 -0.931 0.000 1.289 120 I HN 0.336 nan 8.210 nan 0.000 0.438 121 R N 4.306 124.765 120.500 -0.068 0.000 2.297 121 R HA 0.298 4.639 4.340 0.000 0.000 0.308 121 R C -0.660 175.805 176.300 0.275 0.000 1.029 121 R CA -0.487 55.667 56.100 0.091 0.000 0.929 121 R CB 0.806 31.150 30.300 0.073 0.000 1.046 121 R HN 0.526 nan 8.270 nan 0.000 0.461 122 N N 2.965 121.920 118.700 0.425 0.000 2.558 122 N HA 0.102 4.842 4.740 0.000 0.000 0.242 122 N C -1.830 174.039 175.510 0.598 0.000 0.979 122 N CA -0.261 53.167 53.050 0.632 0.000 0.931 122 N CB 0.546 39.475 38.487 0.737 0.000 1.122 122 N HN 0.683 nan 8.380 nan 0.000 0.508 123 H N 4.035 123.362 119.070 0.428 0.000 3.078 123 H HA 0.290 4.846 4.556 0.000 0.000 0.319 123 H C -1.443 173.905 175.328 0.034 0.000 0.995 123 H CA -0.696 55.431 56.048 0.132 0.000 1.417 123 H CB 0.617 30.449 29.762 0.117 0.000 1.598 123 H HN 0.561 nan 8.280 nan 0.000 0.515 124 Y N 1.916 122.102 120.300 -0.191 0.000 2.597 124 Y HA 0.437 4.987 4.550 0.000 0.000 0.340 124 Y C -1.499 174.239 175.900 -0.271 0.000 1.097 124 Y CA -1.413 56.350 58.100 -0.561 0.000 1.037 124 Y CB 0.845 38.578 38.460 -1.211 0.000 1.305 124 Y HN 0.360 nan 8.280 nan 0.000 0.463 125 N N 1.730 120.390 118.700 -0.065 0.000 2.456 125 N HA 0.281 5.021 4.740 0.000 0.000 0.288 125 N C -1.301 174.295 175.510 0.142 0.000 1.059 125 N CA -0.653 52.410 53.050 0.022 0.000 0.946 125 N CB 2.030 40.510 38.487 -0.011 0.000 1.150 125 N HN 0.864 nan 8.380 nan 0.000 0.479 126 E N 1.258 121.563 120.200 0.175 0.000 2.227 126 E HA 0.501 4.851 4.350 0.000 0.000 0.268 126 E C -1.472 175.199 176.600 0.118 0.000 0.907 126 E CA -0.775 55.733 56.400 0.179 0.000 0.786 126 E CB 1.423 31.271 29.700 0.246 0.000 1.191 126 E HN 0.283 nan 8.360 nan 0.000 0.411 127 L N 3.159 124.463 121.223 0.134 0.000 2.409 127 L HA 0.707 5.047 4.340 0.000 0.000 0.272 127 L C -1.650 175.280 176.870 0.100 0.000 0.980 127 L CA -0.352 54.547 54.840 0.099 0.000 0.826 127 L CB 1.624 43.727 42.059 0.073 0.000 1.268 127 L HN 0.560 nan 8.230 nan 0.000 0.407 128 A N 5.017 127.848 122.820 0.018 0.000 2.303 128 A HA 0.785 5.105 4.320 0.000 0.000 0.320 128 A C -1.253 176.274 177.584 -0.095 0.000 1.192 128 A CA -0.533 51.469 52.037 -0.059 0.000 0.821 128 A CB 1.320 20.286 19.000 -0.057 0.000 1.188 128 A HN 0.521 nan 8.150 nan 0.000 0.492 129 V N 2.705 122.510 119.914 -0.181 0.000 2.384 129 V HA 0.397 4.517 4.120 0.000 0.000 0.287 129 V C 0.228 176.227 176.094 -0.159 0.000 1.020 129 V CA -0.317 61.863 62.300 -0.201 0.000 0.850 129 V CB 1.629 33.189 31.823 -0.438 0.000 0.987 129 V HN 0.903 nan 8.190 nan 0.000 0.436 130 T N 7.141 121.652 114.554 -0.071 0.000 2.743 130 T HA 0.578 4.928 4.350 0.000 0.000 0.293 130 T C -0.253 174.466 174.700 0.031 0.000 0.945 130 T CA -0.098 61.983 62.100 -0.031 0.000 1.030 130 T CB 0.334 69.202 68.868 -0.000 0.000 0.912 130 T HN 0.353 nan 8.240 nan 0.000 0.483 131 L N 4.251 125.495 121.223 0.036 0.000 2.298 131 L HA 0.478 4.818 4.340 0.000 0.000 0.284 131 L C -0.831 176.251 176.870 0.354 0.000 1.013 131 L CA -1.128 53.786 54.840 0.124 0.000 0.824 131 L CB 0.903 42.837 42.059 -0.208 0.000 1.221 131 L HN 0.609 nan 8.230 nan 0.000 0.418 132 Y N 3.250 123.704 120.300 0.257 0.000 2.342 132 Y HA 0.341 4.891 4.550 0.000 0.000 0.334 132 Y C -0.302 175.718 175.900 0.200 0.000 1.067 132 Y CA -0.558 57.665 58.100 0.205 0.000 1.128 132 Y CB 1.539 40.062 38.460 0.103 0.000 1.200 132 Y HN 0.511 nan 8.280 nan 0.000 0.464 133 Q N 8.446 127.865 119.800 -0.634 0.000 2.462 133 Q HA 0.305 4.645 4.340 0.000 0.000 0.247 133 Q C -2.134 173.305 176.000 -0.934 0.000 1.044 133 Q CA -2.215 53.164 55.803 -0.706 0.000 0.803 133 Q CB 1.538 29.872 28.738 -0.672 0.000 1.190 133 Q HN 0.520 nan 8.270 nan 0.000 0.507 134 P HA -0.244 nan 4.420 nan 0.000 0.216 134 P C 1.170 178.293 177.300 -0.295 0.000 1.153 134 P CA 1.613 64.426 63.100 -0.478 0.000 0.858 134 P CB -0.035 31.575 31.700 -0.149 0.000 0.789 135 M N -2.621 116.814 119.600 -0.275 0.000 2.374 135 M HA -0.051 4.429 4.480 0.000 0.000 0.264 135 M C 0.832 177.020 176.300 -0.187 0.000 1.067 135 M CA 2.017 57.201 55.300 -0.194 0.000 1.103 135 M CB -0.812 31.672 32.600 -0.193 0.000 1.402 135 M HN -0.138 nan 8.290 nan 0.000 0.444 136 N N -0.068 118.484 118.700 -0.246 0.000 2.171 136 N HA 0.031 4.771 4.740 0.000 0.000 0.212 136 N C -0.655 174.771 175.510 -0.141 0.000 1.184 136 N CA -0.048 52.889 53.050 -0.188 0.000 0.888 136 N CB 0.517 38.871 38.487 -0.222 0.000 1.038 136 N HN 0.269 nan 8.380 nan 0.000 0.517 137 D N 1.781 122.081 120.400 -0.166 0.000 2.697 137 D HA -0.206 4.435 4.640 0.000 0.000 0.235 137 D C -0.561 175.795 176.300 0.094 0.000 1.167 137 D CA 1.012 55.020 54.000 0.013 0.000 0.656 137 D CB -0.587 40.267 40.800 0.090 0.000 1.025 137 D HN 0.559 nan 8.370 nan 0.000 0.419 138 R N -1.757 118.738 120.500 -0.008 0.000 2.734 138 R HA 0.781 5.121 4.340 0.000 0.000 0.271 138 R C -1.339 175.059 176.300 0.163 0.000 1.021 138 R CA -1.052 55.106 56.100 0.097 0.000 0.893 138 R CB 1.236 31.538 30.300 0.004 0.000 1.244 138 R HN -0.015 nan 8.270 nan 0.000 0.464 139 S N 0.901 116.732 115.700 0.218 0.000 2.548 139 S HA 0.679 5.149 4.470 0.000 0.000 0.286 139 S C -0.390 174.321 174.600 0.184 0.000 1.098 139 S CA -0.831 57.525 58.200 0.259 0.000 0.930 139 S CB 1.442 64.790 63.200 0.247 0.000 1.070 139 S HN 0.592 nan 8.310 nan 0.000 0.480 140 I N -1.283 119.377 120.570 0.150 0.000 3.206 140 I HA 0.902 5.072 4.170 0.000 0.000 0.313 140 I C -1.422 174.634 176.117 -0.102 0.000 1.103 140 I CA -1.146 60.159 61.300 0.009 0.000 0.985 140 I CB 1.780 39.779 38.000 -0.001 0.000 1.240 140 I HN 0.325 nan 8.210 nan 0.000 0.464 141 V N 3.385 123.172 119.914 -0.213 0.000 2.604 141 V HA 0.498 4.618 4.120 0.000 0.000 0.305 141 V C -0.224 175.644 176.094 -0.377 0.000 1.043 141 V CA -0.433 61.719 62.300 -0.248 0.000 0.888 141 V CB 1.869 33.564 31.823 -0.214 0.000 0.995 141 V HN 0.497 nan 8.190 nan 0.000 0.429 142 I N 4.566 124.874 120.570 -0.436 0.000 2.362 142 I HA 0.544 4.714 4.170 0.000 0.000 0.289 142 I C 0.067 175.773 176.117 -0.685 0.000 0.994 142 I CA -0.480 60.417 61.300 -0.671 0.000 1.158 142 I CB 1.465 38.992 38.000 -0.788 0.000 1.315 142 I HN 0.515 nan 8.210 nan 0.000 0.451 143 R N 6.029 126.114 120.500 -0.691 0.000 2.338 143 R HA 0.581 4.922 4.340 0.000 0.000 0.317 143 R C -1.679 174.355 176.300 -0.443 0.000 0.968 143 R CA -0.439 55.398 56.100 -0.439 0.000 0.849 143 R CB 1.021 31.146 30.300 -0.291 0.000 1.128 143 R HN 0.356 nan 8.270 nan 0.000 0.448 144 F N 2.993 122.936 119.950 -0.012 0.000 2.482 144 F HA 0.516 5.044 4.527 0.000 0.000 0.331 144 F C 0.288 176.126 175.800 0.063 0.000 1.115 144 F CA -0.709 57.334 58.000 0.071 0.000 0.955 144 F CB 1.855 40.847 39.000 -0.014 0.000 1.136 144 F HN 0.251 nan 8.300 nan 0.000 0.452 145 R N 3.149 123.775 120.500 0.209 0.000 2.439 145 R HA 0.589 4.929 4.340 0.000 0.000 0.310 145 R C -1.766 174.519 176.300 -0.024 0.000 0.955 145 R CA -1.051 54.975 56.100 -0.124 0.000 0.853 145 R CB 2.223 32.110 30.300 -0.689 0.000 1.171 145 R HN 0.466 nan 8.270 nan 0.000 0.449 146 L N 4.533 125.723 121.223 -0.055 0.000 2.319 146 L HA 0.527 4.868 4.340 0.000 0.000 0.281 146 L C -1.386 175.458 176.870 -0.045 0.000 1.005 146 L CA -0.252 54.633 54.840 0.075 0.000 0.828 146 L CB 0.763 42.886 42.059 0.106 0.000 1.227 146 L HN 0.443 nan 8.230 nan 0.000 0.415 147 F N 2.561 122.562 119.950 0.085 0.000 2.518 147 F HA 0.439 4.966 4.527 0.000 0.000 0.338 147 F C 1.497 177.330 175.800 0.056 0.000 1.065 147 F CA -0.761 57.276 58.000 0.063 0.000 1.012 147 F CB 0.678 39.717 39.000 0.065 0.000 1.297 147 F HN 0.416 nan 8.300 nan 0.000 0.489 148 N N 0.573 119.423 118.700 0.249 0.000 2.443 148 N HA -0.114 4.626 4.740 0.000 0.000 0.184 148 N C 0.503 176.142 175.510 0.215 0.000 1.037 148 N CA 1.081 54.245 53.050 0.189 0.000 0.896 148 N CB -0.418 38.158 38.487 0.149 0.000 0.959 148 N HN 0.555 nan 8.380 nan 0.000 0.442 149 D N -1.697 118.822 120.400 0.198 0.000 2.479 149 D HA 0.333 4.973 4.640 0.000 0.000 0.218 149 D C 0.813 177.164 176.300 0.086 0.000 1.177 149 D CA -0.364 53.704 54.000 0.113 0.000 0.830 149 D CB 0.348 41.166 40.800 0.030 0.000 1.014 149 D HN 0.128 nan 8.370 nan 0.000 0.503 150 G N -0.328 108.581 108.800 0.181 0.000 2.356 150 G HA2 0.338 4.298 3.960 0.000 0.000 0.288 150 G HA3 0.338 4.298 3.960 0.000 0.000 0.288 150 G C -2.415 172.663 174.900 0.295 0.000 1.302 150 G CA -0.781 44.428 45.100 0.182 0.000 0.887 150 G HN 0.227 nan 8.290 nan 0.000 0.521 151 L N 0.504 121.896 121.223 0.282 0.000 2.365 151 L HA 0.903 5.243 4.340 0.000 0.000 0.273 151 L C 0.400 177.456 176.870 0.311 0.000 1.000 151 L CA 0.196 55.248 54.840 0.354 0.000 0.819 151 L CB 1.805 44.108 42.059 0.406 0.000 1.284 151 L HN 1.381 nan 8.230 nan 0.000 0.418 152 G N 3.563 112.553 108.800 0.317 0.000 2.452 152 G HA2 0.664 4.625 3.960 0.000 0.000 0.324 152 G HA3 0.664 4.625 3.960 0.000 0.000 0.324 152 G C -1.570 173.587 174.900 0.428 0.000 1.214 152 G CA -0.457 44.786 45.100 0.238 0.000 0.947 152 G HN 0.675 nan 8.290 nan 0.000 0.478 153 F N 0.277 120.385 119.950 0.264 0.000 2.613 153 F HA 0.910 5.437 4.527 0.000 0.000 0.310 153 F C -0.432 175.149 175.800 -0.365 0.000 1.085 153 F CA -1.606 56.313 58.000 -0.134 0.000 0.945 153 F CB 1.869 40.524 39.000 -0.574 0.000 1.298 153 F HN 0.774 nan 8.300 nan 0.000 0.455 154 R N 0.733 120.860 120.500 -0.622 0.000 2.764 154 R HA 0.610 4.950 4.340 0.000 0.000 0.270 154 R C -2.347 173.487 176.300 -0.776 0.000 1.014 154 R CA -1.040 54.585 56.100 -0.792 0.000 0.904 154 R CB 1.616 31.125 30.300 -1.318 0.000 1.236 154 R HN 0.780 nan 8.270 nan 0.000 0.466 155 Y N 0.269 120.258 120.300 -0.519 0.000 2.361 155 Y HA 0.402 4.952 4.550 0.000 0.000 0.332 155 Y C -0.099 175.280 175.900 -0.869 0.000 1.101 155 Y CA -0.645 57.071 58.100 -0.640 0.000 1.137 155 Y CB 1.930 40.064 38.460 -0.544 0.000 1.207 155 Y HN 0.431 nan 8.280 nan 0.000 0.463 156 E N 2.635 122.385 120.200 -0.749 0.000 2.222 156 E HA 0.438 4.788 4.350 0.000 0.000 0.267 156 E C -1.757 174.423 176.600 -0.699 0.000 0.884 156 E CA -0.857 55.156 56.400 -0.646 0.000 0.764 156 E CB 1.823 31.301 29.700 -0.370 0.000 1.169 156 E HN 0.403 nan 8.360 nan 0.000 0.413 157 F N 2.417 122.384 119.950 0.029 0.000 2.443 157 F HA 0.324 4.851 4.527 0.000 0.000 0.369 157 F C -2.297 173.531 175.800 0.046 0.000 1.090 157 F CA -2.565 55.471 58.000 0.059 0.000 1.129 157 F CB 0.915 40.019 39.000 0.174 0.000 1.367 157 F HN 0.152 nan 8.300 nan 0.000 0.465 158 P HA 0.013 nan 4.420 nan 0.000 0.272 158 P C -0.414 176.947 177.300 0.103 0.000 1.223 158 P CA -0.405 62.748 63.100 0.088 0.000 0.784 158 P CB 0.678 32.407 31.700 0.049 0.000 0.923 159 Q N 2.184 122.027 119.800 0.071 0.000 2.337 159 Q HA 0.104 4.444 4.340 0.000 0.000 0.270 159 Q C -0.362 175.669 176.000 0.052 0.000 1.002 159 Q CA 0.352 56.188 55.803 0.055 0.000 0.888 159 Q CB 0.202 28.960 28.738 0.033 0.000 1.222 159 Q HN 0.440 nan 8.270 nan 0.000 0.400 160 Q N 0.328 120.160 119.800 0.053 0.000 2.702 160 Q HA 0.127 4.467 4.340 0.000 0.000 0.289 160 Q C -0.374 175.656 176.000 0.050 0.000 0.923 160 Q CA -0.728 55.107 55.803 0.052 0.000 0.787 160 Q CB 0.739 29.516 28.738 0.065 0.000 1.476 160 Q HN 0.342 nan 8.270 nan 0.000 0.402 161 K N 0.685 121.114 120.400 0.047 0.000 2.089 161 K HA -0.083 4.237 4.320 0.000 0.000 0.210 161 K C 1.012 177.640 176.600 0.045 0.000 1.048 161 K CA 2.501 58.815 56.287 0.044 0.000 0.926 161 K CB -0.760 31.764 32.500 0.041 0.000 0.714 161 K HN 0.592 nan 8.250 nan 0.000 0.448 162 S N -0.456 115.270 115.700 0.044 0.000 2.601 162 S HA 0.403 4.873 4.470 0.000 0.000 0.244 162 S C -0.684 173.926 174.600 0.016 0.000 1.001 162 S CA -0.400 57.817 58.200 0.029 0.000 0.984 162 S CB 0.271 63.483 63.200 0.019 0.000 0.842 162 S HN 0.343 nan 8.310 nan 0.000 0.474 163 L N 1.831 123.073 121.223 0.032 0.000 2.568 163 L HA 0.537 4.877 4.340 0.000 0.000 0.262 163 L C -0.459 176.458 176.870 0.078 0.000 0.980 163 L CA 0.125 54.977 54.840 0.020 0.000 0.882 163 L CB 0.745 42.785 42.059 -0.032 0.000 1.198 163 L HN -0.083 nan 8.230 nan 0.000 0.425 164 N N 2.377 121.144 118.700 0.112 0.000 3.420 164 N HA 0.201 4.941 4.740 0.000 0.000 0.211 164 N C -0.774 174.723 175.510 -0.021 0.000 1.201 164 N CA 0.063 53.137 53.050 0.041 0.000 1.134 164 N CB 0.340 38.865 38.487 0.064 0.000 1.366 164 N HN 0.275 nan 8.380 nan 0.000 0.606 165 Y N 1.044 121.421 120.300 0.128 0.000 2.308 165 Y HA 0.406 4.956 4.550 0.000 0.000 0.329 165 Y C -0.307 175.681 175.900 0.147 0.000 1.111 165 Y CA -0.654 57.489 58.100 0.073 0.000 1.179 165 Y CB 0.669 39.154 38.460 0.040 0.000 1.201 165 Y HN 0.140 nan 8.280 nan 0.000 0.483 166 F N -0.331 119.622 119.950 0.006 0.000 2.693 166 F HA 0.805 5.332 4.527 0.000 0.000 0.309 166 F C -2.213 173.460 175.800 -0.213 0.000 1.129 166 F CA -1.460 56.476 58.000 -0.106 0.000 0.948 166 F CB 0.695 39.599 39.000 -0.160 0.000 1.315 166 F HN 0.085 nan 8.300 nan 0.000 0.447 167 V N 3.071 122.895 119.914 -0.150 0.000 2.540 167 V HA 0.442 4.563 4.120 0.000 0.000 0.302 167 V C -0.067 175.910 176.094 -0.195 0.000 1.035 167 V CA -0.795 61.253 62.300 -0.420 0.000 0.873 167 V CB 1.828 33.284 31.823 -0.613 0.000 0.992 167 V HN 0.723 nan 8.190 nan 0.000 0.428 168 I N 4.244 124.667 120.570 -0.245 0.000 2.416 168 I HA 0.242 4.412 4.170 0.000 0.000 0.288 168 I C 1.304 177.316 176.117 -0.174 0.000 1.051 168 I CA 0.066 61.280 61.300 -0.143 0.000 1.375 168 I CB 1.057 38.949 38.000 -0.180 0.000 1.407 168 I HN 0.734 nan 8.210 nan 0.000 0.516 169 K N 5.005 125.331 120.400 -0.123 0.000 2.067 169 K HA 0.113 4.433 4.320 0.000 0.000 0.203 169 K C 0.117 176.598 176.600 -0.198 0.000 1.048 169 K CA 1.026 57.233 56.287 -0.134 0.000 0.954 169 K CB 0.537 32.994 32.500 -0.071 0.000 0.737 169 K HN 0.532 nan 8.250 nan 0.000 0.444 170 E N 0.527 120.592 120.200 -0.225 0.000 2.372 170 E HA 0.096 4.446 4.350 0.000 0.000 0.279 170 E C -1.744 174.611 176.600 -0.407 0.000 0.946 170 E CA -0.506 55.664 56.400 -0.384 0.000 0.769 170 E CB 1.951 31.320 29.700 -0.553 0.000 1.230 170 E HN 0.254 nan 8.360 nan 0.000 0.442 171 E N 1.640 121.644 120.200 -0.325 0.000 2.249 171 E HA 0.194 4.545 4.350 0.000 0.000 0.280 171 E C -0.614 175.819 176.600 -0.278 0.000 1.016 171 E CA -0.335 55.952 56.400 -0.189 0.000 0.830 171 E CB 0.594 30.327 29.700 0.054 0.000 1.081 171 E HN 0.367 nan 8.360 nan 0.000 0.395 172 H N 2.692 121.838 119.070 0.127 0.000 2.412 172 H HA 0.234 4.791 4.556 0.000 0.000 0.239 172 H C -0.855 174.607 175.328 0.224 0.000 1.388 172 H CA -0.369 55.768 56.048 0.149 0.000 1.148 172 H CB 0.431 30.240 29.762 0.078 0.000 1.637 172 H HN 0.191 nan 8.280 nan 0.000 0.542 173 S N 1.796 117.716 115.700 0.366 0.000 2.439 173 S HA 0.209 4.679 4.470 0.000 0.000 0.282 173 S C 0.588 175.296 174.600 0.180 0.000 1.170 173 S CA -0.454 57.950 58.200 0.340 0.000 1.054 173 S CB 1.353 64.846 63.200 0.489 0.000 0.956 173 S HN 0.466 nan 8.310 nan 0.000 0.490 174 Q N 1.633 121.469 119.800 0.060 0.000 2.226 174 Q HA 0.514 4.854 4.340 0.000 0.000 0.256 174 Q C -1.279 174.573 176.000 -0.246 0.000 0.962 174 Q CA -0.386 55.450 55.803 0.055 0.000 0.887 174 Q CB 1.251 30.062 28.738 0.122 0.000 1.282 174 Q HN 0.622 nan 8.270 nan 0.000 0.449 175 F N 0.115 120.308 119.950 0.405 0.000 2.676 175 F HA 0.347 4.874 4.527 0.000 0.000 0.371 175 F C 0.502 176.472 175.800 0.284 0.000 1.141 175 F CA -0.855 57.378 58.000 0.389 0.000 1.133 175 F CB 1.309 40.578 39.000 0.450 0.000 1.376 175 F HN 0.545 nan 8.300 nan 0.000 0.491 176 G N 4.184 113.125 108.800 0.235 0.000 2.349 176 G HA2 0.463 4.423 3.960 0.000 0.000 0.281 176 G HA3 0.463 4.423 3.960 0.000 0.000 0.281 176 G C -0.047 174.945 174.900 0.153 0.000 1.182 176 G CA -0.600 44.585 45.100 0.142 0.000 0.899 176 G HN 0.277 nan 8.290 nan 0.000 0.455 177 M N 2.008 121.682 119.600 0.124 0.000 2.255 177 M HA 0.164 4.645 4.480 0.000 0.000 0.336 177 M C 0.858 177.162 176.300 0.006 0.000 1.135 177 M CA -0.637 54.725 55.300 0.104 0.000 1.145 177 M CB 1.247 33.830 32.600 -0.029 0.000 1.473 177 M HN 0.571 nan 8.290 nan 0.000 0.462 178 N N 0.258 119.000 118.700 0.070 0.000 2.322 178 N HA 0.238 4.978 4.740 0.000 0.000 0.194 178 N C -0.166 175.334 175.510 -0.017 0.000 1.126 178 N CA 0.092 53.171 53.050 0.049 0.000 0.845 178 N CB 0.523 39.081 38.487 0.118 0.000 0.976 178 N HN 0.853 nan 8.380 nan 0.000 0.475 179 G N -1.228 107.432 108.800 -0.233 0.000 2.506 179 G HA2 0.086 4.046 3.960 0.000 0.000 0.292 179 G HA3 0.086 4.046 3.960 0.000 0.000 0.292 179 G C -1.861 172.762 174.900 -0.462 0.000 1.425 179 G CA -0.768 44.193 45.100 -0.233 0.000 0.788 179 G HN 0.040 nan 8.290 nan 0.000 0.490 180 D N 0.638 120.909 120.400 -0.214 0.000 2.551 180 D HA 0.240 4.880 4.640 0.000 0.000 0.223 180 D C 0.458 176.722 176.300 -0.059 0.000 1.144 180 D CA -0.220 53.682 54.000 -0.163 0.000 1.025 180 D CB -0.537 40.211 40.800 -0.087 0.000 1.085 180 D HN 0.262 nan 8.370 nan 0.000 0.506 181 H N 1.473 120.544 119.070 0.002 0.000 2.745 181 H HA 0.185 4.741 4.556 0.000 0.000 0.373 181 H C 0.744 176.064 175.328 -0.014 0.000 1.226 181 H CA -0.178 55.872 56.048 0.003 0.000 1.435 181 H CB 0.578 30.366 29.762 0.043 0.000 1.461 181 H HN 0.286 nan 8.280 nan 0.000 0.616 182 I N 1.006 121.634 120.570 0.096 0.000 2.441 182 I HA 0.295 4.465 4.170 0.000 0.000 0.287 182 I C 0.589 176.669 176.117 -0.063 0.000 1.049 182 I CA -0.172 61.098 61.300 -0.050 0.000 1.381 182 I CB 0.674 38.584 38.000 -0.151 0.000 1.409 182 I HN 0.486 nan 8.210 nan 0.000 0.523 183 A N 6.777 129.548 122.820 -0.082 0.000 2.380 183 A HA 0.826 5.146 4.320 0.000 0.000 0.315 183 A C -1.153 176.357 177.584 -0.123 0.000 1.101 183 A CA -0.438 51.638 52.037 0.065 0.000 0.771 183 A CB 0.889 20.055 19.000 0.276 0.000 1.287 183 A HN 0.539 nan 8.150 nan 0.000 0.436 184 F N 2.913 122.989 119.950 0.210 0.000 2.382 184 F HA 0.558 5.085 4.527 0.000 0.000 0.361 184 F C -0.084 175.934 175.800 0.363 0.000 1.109 184 F CA -0.307 57.760 58.000 0.112 0.000 1.031 184 F CB 1.066 39.982 39.000 -0.141 0.000 1.234 184 F HN 0.716 nan 8.300 nan 0.000 0.445 185 W N 5.077 126.617 121.300 0.399 0.000 3.107 185 W HA 0.823 5.483 4.660 0.000 0.000 0.331 185 W C -1.818 174.724 176.519 0.038 0.000 1.204 185 W CA -1.708 55.790 57.345 0.255 0.000 1.184 185 W CB 0.936 30.462 29.460 0.111 0.000 1.421 185 W HN 0.414 nan 8.180 nan 0.000 0.544 186 I N -0.641 120.005 120.570 0.127 0.000 2.846 186 I HA 0.637 4.807 4.170 0.000 0.000 0.307 186 I C -2.643 173.603 176.117 0.216 0.000 1.053 186 I CA -3.160 58.102 61.300 -0.064 0.000 1.050 186 I CB 1.889 39.745 38.000 -0.240 0.000 1.239 186 I HN -0.086 nan 8.210 nan 0.000 0.439 187 P HA 0.080 nan 4.420 nan 0.000 0.264 187 P C 0.135 177.383 177.300 -0.086 0.000 1.193 187 P CA 0.195 63.235 63.100 -0.099 0.000 0.763 187 P CB 0.418 31.817 31.700 -0.502 0.000 0.810 188 G N 2.911 111.568 108.800 -0.239 0.000 2.305 188 G HA2 0.199 4.159 3.960 0.000 0.000 0.243 188 G HA3 0.199 4.159 3.960 0.000 0.000 0.243 188 G C -0.496 174.219 174.900 -0.308 0.000 1.288 188 G CA 0.217 45.157 45.100 -0.268 0.000 0.901 188 G HN 0.510 nan 8.290 nan 0.000 0.516 189 D N 1.483 121.827 120.400 -0.094 0.000 2.836 189 D HA 0.089 4.729 4.640 0.000 0.000 0.215 189 D C -0.286 176.108 176.300 0.157 0.000 1.255 189 D CA -0.589 53.400 54.000 -0.019 0.000 0.822 189 D CB 1.167 42.109 40.800 0.237 0.000 1.656 189 D HN 0.231 nan 8.370 nan 0.000 0.511 190 Y N 1.012 121.371 120.300 0.099 0.000 2.546 190 Y HA 0.171 4.721 4.550 0.000 0.000 0.287 190 Y C 1.540 177.337 175.900 -0.172 0.000 1.158 190 Y CA 0.194 58.355 58.100 0.102 0.000 1.307 190 Y CB 0.337 38.636 38.460 -0.267 0.000 1.036 190 Y HN 0.358 nan 8.280 nan 0.000 0.532 191 D N -2.235 118.161 120.400 -0.006 0.000 2.415 191 D HA 0.070 4.710 4.640 0.000 0.000 0.269 191 D C 0.310 176.428 176.300 -0.304 0.000 1.099 191 D CA 0.559 54.437 54.000 -0.203 0.000 0.865 191 D CB 1.116 42.001 40.800 0.141 0.000 1.359 191 D HN 0.083 nan 8.370 nan 0.000 0.506 192 T N -0.167 114.416 114.554 0.048 0.000 2.903 192 T HA 0.339 4.690 4.350 0.000 0.000 0.299 192 T C -0.827 173.977 174.700 0.174 0.000 1.093 192 T CA -0.303 61.831 62.100 0.057 0.000 1.002 192 T CB 1.889 70.654 68.868 -0.172 0.000 1.127 192 T HN -0.311 nan 8.240 nan 0.000 0.488 193 Q N 1.218 121.082 119.800 0.105 0.000 2.159 193 Q HA 0.305 4.645 4.340 0.000 0.000 0.217 193 Q C 0.334 176.259 176.000 -0.124 0.000 0.818 193 Q CA -0.064 55.771 55.803 0.054 0.000 1.008 193 Q CB 0.720 29.523 28.738 0.109 0.000 1.148 193 Q HN 0.658 nan 8.270 nan 0.000 0.491 194 E N 0.658 120.658 120.200 -0.334 0.000 2.528 194 E HA 0.020 4.370 4.350 0.000 0.000 0.237 194 E C -0.914 175.329 176.600 -0.594 0.000 1.408 194 E CA -0.031 56.138 56.400 -0.385 0.000 1.571 194 E CB 0.048 29.588 29.700 -0.267 0.000 1.395 194 E HN 0.264 nan 8.360 nan 0.000 0.438 195 Y N 0.189 120.368 120.300 -0.202 0.000 2.420 195 Y HA 0.166 4.716 4.550 0.000 0.000 0.334 195 Y C 0.873 176.610 175.900 -0.272 0.000 1.094 195 Y CA -1.421 56.533 58.100 -0.244 0.000 1.126 195 Y CB 0.761 39.096 38.460 -0.207 0.000 1.217 195 Y HN -0.046 nan 8.280 nan 0.000 0.462 196 D N 0.920 121.271 120.400 -0.082 0.000 2.399 196 D HA -0.012 4.628 4.640 0.000 0.000 0.241 196 D C -0.589 175.650 176.300 -0.101 0.000 1.133 196 D CA 0.401 54.345 54.000 -0.093 0.000 0.890 196 D CB 0.500 41.243 40.800 -0.095 0.000 1.201 196 D HN 0.421 nan 8.370 nan 0.000 0.432 197 Y N 0.335 120.693 120.300 0.097 0.000 2.379 197 Y HA 0.107 4.658 4.550 0.000 0.000 0.337 197 Y C 1.217 177.026 175.900 -0.152 0.000 1.238 197 Y CA 0.376 58.468 58.100 -0.013 0.000 1.405 197 Y CB 0.848 39.377 38.460 0.116 0.000 1.310 197 Y HN 0.057 nan 8.280 nan 0.000 0.569 198 T N 4.163 118.457 114.554 -0.434 0.000 2.863 198 T HA 0.563 4.913 4.350 0.000 0.000 0.285 198 T C -0.636 173.775 174.700 -0.482 0.000 1.009 198 T CA -0.673 61.089 62.100 -0.564 0.000 0.989 198 T CB 0.719 68.859 68.868 -1.214 0.000 1.004 198 T HN 0.324 nan 8.240 nan 0.000 0.455 199 I N 3.417 123.846 120.570 -0.234 0.000 2.355 199 I HA 0.560 4.730 4.170 0.000 0.000 0.288 199 I C 0.223 176.274 176.117 -0.110 0.000 0.999 199 I CA -0.376 60.738 61.300 -0.310 0.000 1.163 199 I CB 1.176 38.948 38.000 -0.380 0.000 1.316 199 I HN 0.740 nan 8.210 nan 0.000 0.454 200 S N 5.982 121.685 115.700 0.005 0.000 2.615 200 S HA 0.582 5.053 4.470 0.000 0.000 0.269 200 S C -0.727 173.910 174.600 0.062 0.000 1.161 200 S CA -1.221 57.041 58.200 0.103 0.000 0.817 200 S CB 2.064 65.438 63.200 0.290 0.000 1.131 200 S HN 0.399 nan 8.310 nan 0.000 0.467 201 R N 0.570 121.091 120.500 0.034 0.000 2.679 201 R HA 0.343 4.684 4.340 0.000 0.000 0.269 201 R C 1.436 177.729 176.300 -0.011 0.000 1.076 201 R CA -0.391 55.714 56.100 0.008 0.000 1.160 201 R CB -0.232 30.063 30.300 -0.007 0.000 1.054 201 R HN 0.778 nan 8.270 nan 0.000 0.507 202 L N 0.837 122.038 121.223 -0.036 0.000 2.079 202 L HA -0.245 4.095 4.340 0.000 0.000 0.210 202 L C 2.247 179.028 176.870 -0.148 0.000 1.081 202 L CA 2.004 56.779 54.840 -0.109 0.000 0.752 202 L CB -0.635 41.342 42.059 -0.137 0.000 0.896 202 L HN 0.676 nan 8.230 nan 0.000 0.433 203 S N -0.985 114.651 115.700 -0.107 0.000 2.474 203 S HA -0.144 4.326 4.470 0.000 0.000 0.235 203 S C 1.497 176.049 174.600 -0.080 0.000 0.997 203 S CA 0.829 58.970 58.200 -0.099 0.000 0.949 203 S CB -0.218 62.939 63.200 -0.072 0.000 0.766 203 S HN 0.518 nan 8.310 nan 0.000 0.517 204 E N 0.467 120.633 120.200 -0.057 0.000 2.472 204 E HA 0.288 4.638 4.350 0.000 0.000 0.196 204 E C 1.471 178.057 176.600 -0.023 0.000 1.033 204 E CA -0.015 56.375 56.400 -0.016 0.000 0.886 204 E CB -0.100 29.623 29.700 0.038 0.000 0.944 204 E HN 0.546 nan 8.360 nan 0.000 0.492 205 I N 1.115 121.593 120.570 -0.154 0.000 2.163 205 I HA -0.317 3.853 4.170 0.000 0.000 0.243 205 I C 2.656 178.621 176.117 -0.254 0.000 1.085 205 I CA 1.179 62.258 61.300 -0.368 0.000 1.347 205 I CB -0.250 37.281 38.000 -0.782 0.000 1.044 205 I HN 0.074 nan 8.210 nan 0.000 0.408 206 R N 1.132 121.510 120.500 -0.204 0.000 2.096 206 R HA -0.191 4.149 4.340 0.000 0.000 0.240 206 R C 2.237 178.492 176.300 -0.076 0.000 1.139 206 R CA 1.991 58.003 56.100 -0.147 0.000 0.952 206 R CB -0.600 29.628 30.300 -0.122 0.000 0.854 206 R HN 0.446 nan 8.270 nan 0.000 0.436 207 G N -0.185 108.591 108.800 -0.040 0.000 2.534 207 G HA2 -0.089 3.871 3.960 0.000 0.000 0.217 207 G HA3 -0.089 3.871 3.960 0.000 0.000 0.217 207 G C 1.230 176.148 174.900 0.030 0.000 1.128 207 G CA 0.181 45.277 45.100 -0.007 0.000 0.784 207 G HN 0.267 nan 8.290 nan 0.000 0.542 208 L N -0.630 120.641 121.223 0.080 0.000 2.590 208 L HA 0.292 4.632 4.340 0.000 0.000 0.227 208 L C 2.428 179.412 176.870 0.191 0.000 1.099 208 L CA -0.134 54.803 54.840 0.160 0.000 0.872 208 L CB -0.002 42.235 42.059 0.296 0.000 1.088 208 L HN 0.144 nan 8.230 nan 0.000 0.479 209 M N 0.822 120.500 119.600 0.129 0.000 2.080 209 M HA -0.243 4.237 4.480 0.000 0.000 0.260 209 M C 2.206 178.507 176.300 0.002 0.000 1.068 209 M CA 1.916 57.267 55.300 0.085 0.000 1.109 209 M CB -0.323 32.227 32.600 -0.084 0.000 1.342 209 M HN 0.039 nan 8.290 nan 0.000 0.405 210 K N -0.527 119.863 120.400 -0.017 0.000 2.032 210 K HA -0.199 4.121 4.320 0.000 0.000 0.209 210 K C 1.716 178.301 176.600 -0.025 0.000 1.048 210 K CA 1.716 57.985 56.287 -0.031 0.000 0.927 210 K CB -0.145 32.343 32.500 -0.021 0.000 0.712 210 K HN 0.327 nan 8.250 nan 0.000 0.441 211 E N -0.135 120.060 120.200 -0.007 0.000 2.274 211 E HA -0.085 4.265 4.350 0.000 0.000 0.194 211 E C 1.710 178.285 176.600 -0.043 0.000 0.996 211 E CA 0.820 57.213 56.400 -0.012 0.000 0.840 211 E CB 0.069 29.769 29.700 0.001 0.000 0.772 211 E HN 0.423 nan 8.360 nan 0.000 0.491 212 A N 0.911 123.695 122.820 -0.061 0.000 2.066 212 A HA -0.012 4.308 4.320 0.000 0.000 0.218 212 A C 1.445 178.865 177.584 -0.273 0.000 1.157 212 A CA 0.222 52.159 52.037 -0.168 0.000 0.670 212 A CB -0.214 18.675 19.000 -0.185 0.000 0.804 212 A HN 0.104 nan 8.150 nan 0.000 0.453 213 I N 2.574 123.004 120.570 -0.234 0.000 2.260 213 I HA 0.105 4.275 4.170 0.000 0.000 0.297 213 I C 0.571 176.680 176.117 -0.013 0.000 1.143 213 I CA -0.296 60.840 61.300 -0.274 0.000 1.271 213 I CB 0.407 38.282 38.000 -0.209 0.000 1.461 213 I HN 0.241 nan 8.210 nan 0.000 0.530 214 T N 3.466 118.099 114.554 0.130 0.000 2.902 214 T HA 0.487 4.837 4.350 0.000 0.000 0.280 214 T C -2.473 172.356 174.700 0.214 0.000 0.992 214 T CA -2.070 60.128 62.100 0.162 0.000 1.015 214 T CB 1.113 70.073 68.868 0.153 0.000 1.044 214 T HN 0.112 nan 8.240 nan 0.000 0.520 215 P HA 0.319 nan 4.420 nan 0.000 0.271 215 P C -0.537 176.844 177.300 0.136 0.000 1.216 215 P CA -0.334 62.844 63.100 0.129 0.000 0.776 215 P CB 0.378 32.136 31.700 0.097 0.000 0.881 216 N N 0.433 119.200 118.700 0.113 0.000 2.396 216 N HA 0.080 4.820 4.740 0.000 0.000 0.275 216 N C 0.790 176.348 175.510 0.081 0.000 1.218 216 N CA -0.349 52.761 53.050 0.100 0.000 0.812 216 N CB 1.678 40.179 38.487 0.024 0.000 1.592 216 N HN 0.222 nan 8.380 nan 0.000 0.480 217 S N 0.441 116.192 115.700 0.085 0.000 2.419 217 S HA -0.045 4.425 4.470 0.000 0.000 0.233 217 S C 0.779 175.373 174.600 -0.010 0.000 1.016 217 S CA 0.609 58.811 58.200 0.003 0.000 0.974 217 S CB -0.059 63.073 63.200 -0.113 0.000 0.786 217 S HN 0.449 nan 8.310 nan 0.000 0.492 218 S N 1.443 117.163 115.700 0.033 0.000 2.776 218 S HA 0.489 4.959 4.470 0.000 0.000 0.284 218 S C -1.373 173.263 174.600 0.059 0.000 1.160 218 S CA -0.785 57.457 58.200 0.070 0.000 1.051 218 S CB 0.930 64.222 63.200 0.153 0.000 1.037 218 S HN 0.617 nan 8.310 nan 0.000 0.485 219 Q N 1.958 121.814 119.800 0.093 0.000 2.320 219 Q HA 0.577 4.917 4.340 0.000 0.000 0.272 219 Q C -1.675 174.390 176.000 0.108 0.000 1.023 219 Q CA -1.047 54.817 55.803 0.102 0.000 0.855 219 Q CB 1.644 30.461 28.738 0.131 0.000 1.367 219 Q HN 0.371 nan 8.270 nan 0.000 0.406 220 T N 2.751 117.348 114.554 0.071 0.000 3.135 220 T HA 0.389 4.739 4.350 0.000 0.000 0.357 220 T C -2.749 171.809 174.700 -0.236 0.000 1.112 220 T CA -1.065 61.021 62.100 -0.023 0.000 1.290 220 T CB 0.946 69.839 68.868 0.041 0.000 1.018 220 T HN 0.392 nan 8.240 nan 0.000 0.527 221 P HA 0.275 nan 4.420 nan 0.000 0.272 221 P C 0.162 177.233 177.300 -0.382 0.000 1.223 221 P CA -0.517 62.389 63.100 -0.323 0.000 0.784 221 P CB 0.409 31.959 31.700 -0.250 0.000 0.923 222 F N -1.459 118.171 119.950 -0.534 0.000 2.784 222 F HA 0.504 5.031 4.527 0.000 0.000 0.323 222 F C 0.232 175.764 175.800 -0.447 0.000 1.085 222 F CA -0.375 57.322 58.000 -0.506 0.000 1.196 222 F CB 0.249 38.839 39.000 -0.683 0.000 1.053 222 F HN 0.244 nan 8.300 nan 0.000 0.578 223 S N 0.212 115.407 115.700 -0.841 0.000 2.537 223 S HA 0.190 4.660 4.470 0.000 0.000 0.271 223 S C 0.007 174.319 174.600 -0.480 0.000 1.148 223 S CA -0.471 57.384 58.200 -0.574 0.000 0.868 223 S CB 1.748 64.563 63.200 -0.643 0.000 1.115 223 S HN 0.321 nan 8.310 nan 0.000 0.461 224 Q N 1.402 121.030 119.800 -0.286 0.000 2.437 224 Q HA -0.034 4.306 4.340 0.000 0.000 0.210 224 Q C 0.777 176.607 176.000 -0.284 0.000 0.972 224 Q CA 1.662 57.320 55.803 -0.242 0.000 0.903 224 Q CB -0.047 28.601 28.738 -0.151 0.000 0.967 224 Q HN 0.806 nan 8.270 nan 0.000 0.486 225 T N -3.800 110.569 114.554 -0.310 0.000 3.339 225 T HA 0.408 4.758 4.350 0.000 0.000 0.292 225 T C 0.164 174.677 174.700 -0.312 0.000 1.012 225 T CA -0.197 61.717 62.100 -0.310 0.000 0.937 225 T CB 0.809 69.548 68.868 -0.215 0.000 1.164 225 T HN 0.148 nan 8.240 nan 0.000 0.509 226 G N 1.478 109.972 108.800 -0.509 0.000 2.356 226 G HA2 0.598 4.558 3.960 0.000 0.000 0.298 226 G HA3 0.598 4.558 3.960 0.000 0.000 0.298 226 G C -0.341 174.321 174.900 -0.397 0.000 1.145 226 G CA -0.519 44.206 45.100 -0.625 0.000 0.850 226 G HN 0.858 nan 8.290 nan 0.000 0.487 227 V N 0.040 119.927 119.914 -0.045 0.000 3.040 227 V HA 0.657 4.777 4.120 0.000 0.000 0.312 227 V C -0.346 175.893 176.094 0.241 0.000 1.115 227 V CA -1.244 61.106 62.300 0.082 0.000 0.998 227 V CB 1.602 33.490 31.823 0.109 0.000 1.042 227 V HN 0.751 nan 8.190 nan 0.000 0.433 228 Q N 1.031 120.990 119.800 0.266 0.000 2.249 228 Q HA 0.600 4.941 4.340 0.000 0.000 0.226 228 Q C 0.046 176.181 176.000 0.224 0.000 0.983 228 Q CA -0.251 55.758 55.803 0.344 0.000 0.930 228 Q CB 1.598 30.533 28.738 0.328 0.000 1.193 228 Q HN 1.035 nan 8.270 nan 0.000 0.508 229 T N -2.818 111.858 114.554 0.204 0.000 2.940 229 T HA 0.695 5.045 4.350 0.000 0.000 0.288 229 T C -0.341 174.386 174.700 0.045 0.000 1.033 229 T CA -0.903 61.268 62.100 0.118 0.000 1.033 229 T CB 1.376 70.363 68.868 0.199 0.000 1.079 229 T HN 0.626 nan 8.240 nan 0.000 0.496 230 A N 1.911 124.549 122.820 -0.304 0.000 2.477 230 A HA 0.548 4.868 4.320 0.000 0.000 0.246 230 A C -0.140 177.396 177.584 -0.081 0.000 1.078 230 A CA -0.587 51.226 52.037 -0.374 0.000 0.770 230 A CB -0.334 18.226 19.000 -0.734 0.000 1.011 230 A HN 0.939 nan 8.150 nan 0.000 0.494 231 L N 3.040 124.228 121.223 -0.058 0.000 2.295 231 L HA 0.745 5.086 4.340 0.000 0.000 0.285 231 L C -0.348 176.528 176.870 0.010 0.000 1.035 231 L CA -0.424 54.419 54.840 0.006 0.000 0.806 231 L CB 1.469 43.445 42.059 -0.138 0.000 1.214 231 L HN 0.766 nan 8.230 nan 0.000 0.426 232 M N 5.848 125.514 119.600 0.109 0.000 2.364 232 M HA 0.654 5.135 4.480 0.000 0.000 0.334 232 M C -1.245 175.223 176.300 0.280 0.000 1.107 232 M CA 0.034 55.393 55.300 0.097 0.000 0.988 232 M CB 1.412 33.968 32.600 -0.072 0.000 1.673 232 M HN 0.656 nan 8.290 nan 0.000 0.441 233 M N 3.217 122.932 119.600 0.191 0.000 2.619 233 M HA 0.506 4.987 4.480 0.000 0.000 0.297 233 M C -1.162 175.193 176.300 0.092 0.000 1.229 233 M CA -0.769 54.655 55.300 0.207 0.000 0.860 233 M CB 2.744 35.436 32.600 0.153 0.000 1.741 233 M HN 0.581 nan 8.290 nan 0.000 0.462 234 K N 1.422 121.846 120.400 0.039 0.000 2.426 234 K HA 0.554 4.874 4.320 0.000 0.000 0.254 234 K C -0.938 175.499 176.600 -0.272 0.000 0.936 234 K CA -0.408 55.741 56.287 -0.230 0.000 0.801 234 K CB 1.736 34.177 32.500 -0.099 0.000 1.139 234 K HN 0.808 nan 8.250 nan 0.000 0.424 235 T N 0.060 114.362 114.554 -0.419 0.000 2.934 235 T HA 0.205 4.555 4.350 0.000 0.000 0.283 235 T C 0.595 175.205 174.700 -0.150 0.000 1.005 235 T CA -0.561 61.353 62.100 -0.311 0.000 1.041 235 T CB 1.213 69.823 68.868 -0.430 0.000 1.042 235 T HN 0.473 nan 8.240 nan 0.000 0.505 236 D N 0.695 121.083 120.400 -0.020 0.000 2.218 236 D HA -0.039 4.602 4.640 0.000 0.000 0.204 236 D C 1.209 177.496 176.300 -0.021 0.000 0.976 236 D CA 1.105 55.099 54.000 -0.010 0.000 0.853 236 D CB -0.098 40.721 40.800 0.030 0.000 0.939 236 D HN 0.829 nan 8.370 nan 0.000 0.481 237 D N -1.339 119.048 120.400 -0.023 0.000 2.395 237 D HA 0.217 4.857 4.640 0.000 0.000 0.226 237 D C 1.228 177.511 176.300 -0.028 0.000 1.146 237 D CA 0.121 54.116 54.000 -0.008 0.000 0.830 237 D CB -0.175 40.639 40.800 0.023 0.000 0.958 237 D HN 0.134 nan 8.370 nan 0.000 0.501 238 G N 0.045 108.788 108.800 -0.095 0.000 2.132 238 G HA2 -0.227 3.733 3.960 0.000 0.000 0.234 238 G HA3 -0.227 3.733 3.960 0.000 0.000 0.234 238 G C -0.107 174.691 174.900 -0.169 0.000 0.989 238 G CA 0.121 45.153 45.100 -0.114 0.000 0.676 238 G HN 0.399 nan 8.290 nan 0.000 0.522 239 L N -0.719 120.354 121.223 -0.250 0.000 2.352 239 L HA 0.736 5.077 4.340 0.000 0.000 0.269 239 L C 0.016 176.572 176.870 -0.522 0.000 1.034 239 L CA -1.423 53.266 54.840 -0.252 0.000 0.806 239 L CB 1.165 43.128 42.059 -0.161 0.000 1.244 239 L HN 0.067 nan 8.230 nan 0.000 0.447 240 Y N 1.727 121.929 120.300 -0.164 0.000 2.341 240 Y HA 0.588 5.138 4.550 0.000 0.000 0.338 240 Y C -0.164 175.639 175.900 -0.162 0.000 0.965 240 Y CA -0.450 57.550 58.100 -0.166 0.000 1.108 240 Y CB 1.679 40.037 38.460 -0.169 0.000 1.180 240 Y HN 0.266 nan 8.280 nan 0.000 0.458 241 I N 3.741 124.303 120.570 -0.014 0.000 2.466 241 I HA 0.296 4.466 4.170 0.000 0.000 0.289 241 I C -0.892 175.231 176.117 0.009 0.000 1.026 241 I CA -0.782 60.510 61.300 -0.014 0.000 1.078 241 I CB 1.787 39.780 38.000 -0.012 0.000 1.249 241 I HN 0.589 nan 8.210 nan 0.000 0.429 242 N N 7.790 126.490 118.700 -0.000 0.000 2.372 242 N HA 0.524 5.264 4.740 0.000 0.000 0.285 242 N C -1.659 173.831 175.510 -0.033 0.000 1.008 242 N CA -0.412 52.626 53.050 -0.020 0.000 0.880 242 N CB 1.841 40.313 38.487 -0.025 0.000 1.239 242 N HN 0.540 nan 8.380 nan 0.000 0.484 243 L N 3.503 124.669 121.223 -0.095 0.000 2.313 243 L HA 0.514 4.854 4.340 0.000 0.000 0.283 243 L C 0.148 176.968 176.870 -0.083 0.000 1.013 243 L CA -0.577 54.150 54.840 -0.189 0.000 0.816 243 L CB 1.524 43.317 42.059 -0.444 0.000 1.236 243 L HN 0.591 nan 8.230 nan 0.000 0.419 244 H N 1.813 120.774 119.070 -0.182 0.000 3.054 244 H HA 0.434 4.990 4.556 0.000 0.000 0.271 244 H C -1.620 173.663 175.328 -0.076 0.000 1.551 244 H CA -0.695 55.290 56.048 -0.104 0.000 1.196 244 H CB 2.394 32.116 29.762 -0.067 0.000 1.867 244 H HN 0.734 nan 8.280 nan 0.000 0.637 245 E N 0.724 120.644 120.200 -0.467 0.000 2.429 245 E HA 0.735 5.085 4.350 0.000 0.000 0.276 245 E C -1.858 174.486 176.600 -0.428 0.000 0.953 245 E CA -1.314 54.895 56.400 -0.318 0.000 0.787 245 E CB 2.975 32.576 29.700 -0.165 0.000 1.307 245 E HN 0.586 nan 8.360 nan 0.000 0.458 246 A N 0.752 123.476 122.820 -0.161 0.000 2.449 246 A HA 0.730 5.050 4.320 0.000 0.000 0.302 246 A C -0.186 177.421 177.584 0.038 0.000 1.048 246 A CA -0.345 51.636 52.037 -0.094 0.000 0.708 246 A CB 1.416 20.356 19.000 -0.100 0.000 1.274 246 A HN 1.834 nan 8.150 nan 0.000 0.410 247 A N 0.354 123.192 122.820 0.030 0.000 2.815 247 A HA -0.084 4.237 4.320 0.000 0.000 0.292 247 A C 0.012 177.629 177.584 0.054 0.000 1.457 247 A CA 0.640 52.720 52.037 0.072 0.000 0.735 247 A CB -2.215 16.873 19.000 0.148 0.000 1.056 247 A HN 2.110 nan 8.150 nan 0.000 0.474 248 L N 0.847 122.101 121.223 0.053 0.000 2.505 248 L HA 0.530 4.870 4.340 0.000 0.000 0.279 248 L C -0.143 176.803 176.870 0.127 0.000 1.211 248 L CA 0.407 55.298 54.840 0.085 0.000 1.059 248 L CB 0.319 42.432 42.059 0.091 0.000 1.340 248 L HN 0.489 nan 8.230 nan 0.000 0.447 249 V N 3.808 123.794 119.914 0.120 0.000 2.638 249 V HA 0.382 4.502 4.120 0.000 0.000 0.306 249 V C -0.349 175.835 176.094 0.149 0.000 1.052 249 V CA -0.897 61.480 62.300 0.128 0.000 0.885 249 V CB 1.739 33.628 31.823 0.109 0.000 0.999 249 V HN 0.601 nan 8.190 nan 0.000 0.424 250 D N 2.676 123.161 120.400 0.142 0.000 2.689 250 D HA -0.225 4.415 4.640 0.000 0.000 0.237 250 D C -0.819 175.622 176.300 0.236 0.000 1.148 250 D CA 1.349 55.432 54.000 0.138 0.000 0.656 250 D CB -0.706 40.157 40.800 0.105 0.000 1.050 250 D HN 0.597 nan 8.370 nan 0.000 0.426 251 Y N -1.084 119.249 120.300 0.055 0.000 2.662 251 Y HA 0.308 4.859 4.550 0.000 0.000 0.334 251 Y C -0.660 175.287 175.900 0.078 0.000 1.185 251 Y CA -0.713 57.419 58.100 0.054 0.000 1.074 251 Y CB 1.268 39.760 38.460 0.052 0.000 1.330 251 Y HN -0.133 nan 8.280 nan 0.000 0.458 252 S N 1.811 117.440 115.700 -0.119 0.000 2.562 252 S HA 0.310 4.781 4.470 0.000 0.000 0.275 252 S C -0.290 174.399 174.600 0.148 0.000 1.281 252 S CA -0.464 57.741 58.200 0.010 0.000 1.045 252 S CB 0.277 63.402 63.200 -0.125 0.000 0.962 252 S HN 0.817 nan 8.310 nan 0.000 0.503 253 C N 6.948 126.349 119.300 0.169 0.000 2.642 253 C HA 0.274 4.734 4.460 0.000 0.000 0.420 253 C C 0.606 175.583 174.990 -0.023 0.000 1.349 253 C CA -0.287 58.791 59.018 0.100 0.000 1.821 253 C CB -1.191 26.617 27.740 0.113 0.000 2.637 253 C HN 0.901 nan 8.230 nan 0.000 0.605 254 M N 7.068 126.655 119.600 -0.022 0.000 2.144 254 M HA 0.369 4.850 4.480 0.000 0.000 0.356 254 M C -0.167 176.043 176.300 -0.149 0.000 1.217 254 M CA 0.110 55.419 55.300 0.015 0.000 1.087 254 M CB 0.226 32.913 32.600 0.144 0.000 1.609 254 M HN 0.809 nan 8.290 nan 0.000 0.467 255 H N 4.492 123.758 119.070 0.327 0.000 2.810 255 H HA 0.617 5.173 4.556 0.000 0.000 0.316 255 H C -1.078 174.485 175.328 0.391 0.000 1.426 255 H CA -0.712 55.555 56.048 0.365 0.000 1.413 255 H CB 1.304 31.353 29.762 0.478 0.000 1.874 255 H HN 0.618 nan 8.280 nan 0.000 0.737 256 L N 1.407 122.953 121.223 0.539 0.000 2.362 256 L HA 0.266 4.606 4.340 0.000 0.000 0.275 256 L C -0.277 176.932 176.870 0.565 0.000 0.998 256 L CA -0.755 54.376 54.840 0.486 0.000 0.820 256 L CB 1.758 43.946 42.059 0.214 0.000 1.270 256 L HN 0.449 nan 8.230 nan 0.000 0.415 257 N N 2.672 121.733 118.700 0.601 0.000 2.392 257 N HA 0.445 5.186 4.740 0.000 0.000 0.283 257 N C -1.268 174.461 175.510 0.365 0.000 1.003 257 N CA -0.492 52.830 53.050 0.452 0.000 0.892 257 N CB 1.567 40.380 38.487 0.543 0.000 1.193 257 N HN 0.386 nan 8.380 nan 0.000 0.487 258 L N 2.880 124.195 121.223 0.153 0.000 2.276 258 L HA 0.404 4.744 4.340 0.000 0.000 0.286 258 L C -0.443 176.362 176.870 -0.108 0.000 1.061 258 L CA -0.394 54.361 54.840 -0.142 0.000 0.807 258 L CB 0.720 42.566 42.059 -0.356 0.000 1.177 258 L HN 0.535 nan 8.230 nan 0.000 0.429 259 D N 3.317 123.655 120.400 -0.104 0.000 2.374 259 D HA 0.059 4.699 4.640 0.000 0.000 0.240 259 D C 0.188 176.398 176.300 -0.149 0.000 1.229 259 D CA -0.218 53.739 54.000 -0.073 0.000 0.895 259 D CB 0.779 41.566 40.800 -0.021 0.000 1.046 259 D HN 0.658 nan 8.370 nan 0.000 0.498 260 D N 2.580 122.895 120.400 -0.142 0.000 2.319 260 D HA -0.027 4.613 4.640 0.000 0.000 0.230 260 D C 0.815 177.044 176.300 -0.119 0.000 1.094 260 D CA 0.147 54.048 54.000 -0.164 0.000 0.856 260 D CB 0.172 40.871 40.800 -0.170 0.000 0.915 260 D HN 0.346 nan 8.370 nan 0.000 0.517 261 K N -0.230 120.115 120.400 -0.091 0.000 2.276 261 K HA 0.165 4.485 4.320 0.000 0.000 0.198 261 K C 0.785 177.343 176.600 -0.071 0.000 1.052 261 K CA 0.500 56.745 56.287 -0.069 0.000 0.984 261 K CB 0.279 32.750 32.500 -0.048 0.000 0.836 261 K HN 0.078 nan 8.250 nan 0.000 0.490 262 N N -0.218 118.435 118.700 -0.079 0.000 2.171 262 N HA 0.136 4.876 4.740 0.000 0.000 0.212 262 N C -0.796 174.655 175.510 -0.098 0.000 1.184 262 N CA -0.089 52.918 53.050 -0.071 0.000 0.888 262 N CB 0.795 39.254 38.487 -0.047 0.000 1.038 262 N HN -0.130 nan 8.380 nan 0.000 0.517 263 M N 0.681 120.190 119.600 -0.151 0.000 2.298 263 M HA -0.136 4.345 4.480 0.000 0.000 0.196 263 M C -1.293 174.889 176.300 -0.196 0.000 0.531 263 M CA 0.521 55.686 55.300 -0.225 0.000 0.459 263 M CB -2.494 29.980 32.600 -0.211 0.000 1.279 263 M HN -0.137 nan 8.290 nan 0.000 0.915 264 V N 0.901 120.713 119.914 -0.171 0.000 2.409 264 V HA 0.543 4.663 4.120 0.000 0.000 0.291 264 V C 0.224 176.298 176.094 -0.034 0.000 1.020 264 V CA -0.636 61.646 62.300 -0.029 0.000 0.848 264 V CB 1.954 33.802 31.823 0.041 0.000 0.990 264 V HN 0.316 nan 8.190 nan 0.000 0.430 265 F N 2.819 122.920 119.950 0.252 0.000 2.375 265 F HA 0.536 5.063 4.527 0.000 0.000 0.333 265 F C 0.558 176.630 175.800 0.452 0.000 1.104 265 F CA -0.016 58.178 58.000 0.324 0.000 1.149 265 F CB 1.193 40.393 39.000 0.333 0.000 1.190 265 F HN 0.483 nan 8.300 nan 0.000 0.533 266 E N 0.891 121.478 120.200 0.644 0.000 2.293 266 E HA 0.325 4.675 4.350 0.000 0.000 0.270 266 E C -1.063 175.907 176.600 0.616 0.000 0.879 266 E CA -0.925 55.827 56.400 0.586 0.000 0.756 266 E CB 1.492 31.459 29.700 0.446 0.000 1.208 266 E HN 0.607 nan 8.360 nan 0.000 0.428 267 S N 3.815 119.876 115.700 0.601 0.000 2.563 267 S HA -0.056 4.414 4.470 0.000 0.000 0.294 267 S C -0.485 174.376 174.600 0.434 0.000 1.279 267 S CA -0.494 58.010 58.200 0.507 0.000 1.069 267 S CB 0.294 63.757 63.200 0.438 0.000 0.828 267 S HN 0.543 nan 8.310 nan 0.000 0.497 268 W N 5.822 127.245 121.300 0.205 0.000 2.543 268 W HA 0.423 5.083 4.660 0.000 0.000 0.318 268 W C -1.572 174.967 176.519 0.034 0.000 1.002 268 W CA -1.361 56.028 57.345 0.073 0.000 1.302 268 W CB 0.701 30.161 29.460 -0.001 0.000 1.299 268 W HN 0.695 nan 8.180 nan 0.000 0.424 269 L N 3.890 125.132 121.223 0.032 0.000 2.456 269 L HA 0.367 4.707 4.340 0.000 0.000 0.257 269 L C 1.038 177.939 176.870 0.051 0.000 1.162 269 L CA -0.192 54.678 54.840 0.050 0.000 0.808 269 L CB 0.557 42.569 42.059 -0.079 0.000 1.136 269 L HN 0.154 nan 8.230 nan 0.000 0.466 270 T N 2.439 117.022 114.554 0.048 0.000 2.780 270 T HA 0.270 4.620 4.350 0.000 0.000 0.294 270 T C -2.308 172.252 174.700 -0.233 0.000 0.949 270 T CA -0.975 61.045 62.100 -0.132 0.000 1.074 270 T CB 0.908 69.856 68.868 0.134 0.000 0.910 270 T HN 0.376 nan 8.240 nan 0.000 0.501 271 P HA 0.220 nan 4.420 nan 0.000 0.277 271 P C -0.451 176.832 177.300 -0.027 0.000 1.240 271 P CA -0.544 62.452 63.100 -0.173 0.000 0.798 271 P CB 0.750 32.369 31.700 -0.135 0.000 0.979 272 D N 0.971 121.362 120.400 -0.014 0.000 2.440 272 D HA 0.142 4.782 4.640 0.000 0.000 0.269 272 D C 1.249 177.519 176.300 -0.051 0.000 1.249 272 D CA -0.578 53.409 54.000 -0.022 0.000 1.055 272 D CB -0.363 40.425 40.800 -0.021 0.000 1.104 272 D HN 0.280 nan 8.370 nan 0.000 0.561 273 A N -0.752 121.988 122.820 -0.133 0.000 2.125 273 A HA -0.136 4.184 4.320 0.000 0.000 0.219 273 A C 1.712 179.248 177.584 -0.080 0.000 1.156 273 A CA 1.123 53.074 52.037 -0.143 0.000 0.671 273 A CB -0.542 18.330 19.000 -0.213 0.000 0.794 273 A HN 0.543 nan 8.150 nan 0.000 0.459 274 K N -1.916 118.449 120.400 -0.058 0.000 2.358 274 K HA 0.298 4.618 4.320 0.000 0.000 0.200 274 K C 0.952 177.547 176.600 -0.008 0.000 1.030 274 K CA 0.444 56.713 56.287 -0.030 0.000 1.097 274 K CB 0.403 32.888 32.500 -0.025 0.000 0.862 274 K HN 0.563 nan 8.250 nan 0.000 0.534 275 G N 1.862 110.661 108.800 -0.003 0.000 2.175 275 G HA2 -0.185 3.775 3.960 0.000 0.000 0.244 275 G HA3 -0.185 3.775 3.960 0.000 0.000 0.244 275 G C -0.286 174.587 174.900 -0.044 0.000 0.982 275 G CA -0.119 44.979 45.100 -0.004 0.000 0.641 275 G HN 0.255 nan 8.290 nan 0.000 0.527 276 D N -0.012 120.365 120.400 -0.039 0.000 2.354 276 D HA 0.517 5.158 4.640 0.000 0.000 0.247 276 D C 0.919 177.157 176.300 -0.102 0.000 1.138 276 D CA -0.020 53.933 54.000 -0.078 0.000 0.958 276 D CB 0.733 41.498 40.800 -0.058 0.000 1.144 276 D HN 0.257 nan 8.370 nan 0.000 0.458 277 K N -0.130 120.168 120.400 -0.170 0.000 2.934 277 K HA 0.458 4.778 4.320 0.000 0.000 0.210 277 K C -0.231 176.200 176.600 -0.281 0.000 1.122 277 K CA -0.492 55.671 56.287 -0.206 0.000 1.033 277 K CB 1.274 33.630 32.500 -0.241 0.000 0.779 277 K HN 0.606 nan 8.250 nan 0.000 0.459 278 G N 0.921 109.584 108.800 -0.229 0.000 2.462 278 G HA2 -0.074 3.887 3.960 0.000 0.000 0.424 278 G HA3 -0.074 3.887 3.960 0.000 0.000 0.424 278 G C -1.815 172.917 174.900 -0.281 0.000 1.573 278 G CA -1.051 43.907 45.100 -0.236 0.000 0.913 278 G HN 0.058 nan 8.290 nan 0.000 0.672 279 Y N 2.765 122.951 120.300 -0.190 0.000 2.367 279 Y HA 0.694 5.244 4.550 0.000 0.000 0.342 279 Y C 0.888 176.630 175.900 -0.262 0.000 0.979 279 Y CA -0.589 57.401 58.100 -0.184 0.000 1.161 279 Y CB 1.379 39.800 38.460 -0.065 0.000 1.155 279 Y HN 0.441 nan 8.280 nan 0.000 0.503 280 M N 3.422 122.750 119.600 -0.454 0.000 2.598 280 M HA 0.431 4.911 4.480 0.000 0.000 0.317 280 M C -0.861 175.112 176.300 -0.544 0.000 1.179 280 M CA -0.789 54.114 55.300 -0.661 0.000 0.936 280 M CB 2.082 33.760 32.600 -1.537 0.000 1.713 280 M HN 0.595 nan 8.290 nan 0.000 0.460 281 Q N 1.737 121.318 119.800 -0.365 0.000 2.269 281 Q HA 0.383 4.723 4.340 0.000 0.000 0.263 281 Q C -0.950 174.937 176.000 -0.190 0.000 0.983 281 Q CA -0.301 55.264 55.803 -0.397 0.000 0.777 281 Q CB 1.991 30.447 28.738 -0.470 0.000 1.273 281 Q HN 0.905 nan 8.270 nan 0.000 0.440 282 T N 1.511 116.010 114.554 -0.091 0.000 2.900 282 T HA 0.419 4.769 4.350 0.000 0.000 0.307 282 T C -2.144 172.548 174.700 -0.014 0.000 1.065 282 T CA -1.061 61.067 62.100 0.047 0.000 1.105 282 T CB 0.597 69.539 68.868 0.124 0.000 0.979 282 T HN 0.403 nan 8.240 nan 0.000 0.544 283 P HA 0.380 nan 4.420 nan 0.000 0.276 283 P C -0.331 177.023 177.300 0.090 0.000 1.230 283 P CA -0.494 62.652 63.100 0.077 0.000 0.776 283 P CB 0.092 31.819 31.700 0.046 0.000 0.888 284 C N 1.136 120.542 119.300 0.177 0.000 3.321 284 C HA 0.819 5.279 4.460 0.000 0.000 0.329 284 C C -1.190 173.955 174.990 0.258 0.000 1.394 284 C CA -0.911 58.217 59.018 0.184 0.000 1.291 284 C CB 1.159 28.997 27.740 0.163 0.000 1.606 284 C HN 0.728 nan 8.230 nan 0.000 0.463 285 N N -0.689 118.100 118.700 0.148 0.000 2.416 285 N HA 0.665 5.405 4.740 0.000 0.000 0.276 285 N C -0.587 174.901 175.510 -0.036 0.000 1.261 285 N CA -0.111 52.945 53.050 0.011 0.000 0.790 285 N CB 1.380 39.741 38.487 -0.210 0.000 1.554 285 N HN 1.079 nan 8.380 nan 0.000 0.481 286 T N -2.860 111.607 114.554 -0.144 0.000 2.828 286 T HA 0.452 4.802 4.350 0.000 0.000 0.290 286 T C -2.365 172.009 174.700 -0.543 0.000 1.019 286 T CA -1.162 60.619 62.100 -0.531 0.000 1.031 286 T CB 0.509 69.179 68.868 -0.329 0.000 1.001 286 T HN 0.328 nan 8.240 nan 0.000 0.531 287 P HA 0.152 nan 4.420 nan 0.000 0.271 287 P C -0.640 176.454 177.300 -0.343 0.000 1.233 287 P CA -0.481 62.425 63.100 -0.324 0.000 0.789 287 P CB 0.269 31.856 31.700 -0.189 0.000 0.951 288 W N 0.935 122.090 121.300 -0.241 0.000 2.170 288 W HA 0.334 4.994 4.660 0.000 0.000 0.336 288 W C 0.632 176.945 176.519 -0.344 0.000 1.283 288 W CA 0.254 57.421 57.345 -0.298 0.000 1.224 288 W CB 0.192 29.502 29.460 -0.250 0.000 1.132 288 W HN 0.099 nan 8.180 nan 0.000 0.571 289 R N 1.170 121.478 120.500 -0.319 0.000 2.445 289 R HA 0.548 4.888 4.340 0.000 0.000 0.308 289 R C -0.322 175.808 176.300 -0.282 0.000 0.961 289 R CA -0.697 55.178 56.100 -0.374 0.000 0.862 289 R CB 1.277 31.168 30.300 -0.681 0.000 1.144 289 R HN 0.404 nan 8.270 nan 0.000 0.447 290 T N -0.336 114.175 114.554 -0.072 0.000 2.861 290 T HA 0.705 5.055 4.350 0.000 0.000 0.287 290 T C -0.247 174.508 174.700 0.091 0.000 1.003 290 T CA -0.770 61.337 62.100 0.013 0.000 0.977 290 T CB 0.964 69.811 68.868 -0.035 0.000 0.996 290 T HN 0.292 nan 8.240 nan 0.000 0.448 291 I N 3.240 123.917 120.570 0.177 0.000 2.420 291 I HA 0.428 4.599 4.170 0.000 0.000 0.282 291 I C -0.427 175.758 176.117 0.113 0.000 1.019 291 I CA -0.626 60.787 61.300 0.187 0.000 1.130 291 I CB 1.297 39.504 38.000 0.346 0.000 1.262 291 I HN 0.624 nan 8.210 nan 0.000 0.454 292 I N 6.839 127.434 120.570 0.041 0.000 2.336 292 I HA 0.550 4.720 4.170 0.000 0.000 0.292 292 I C -0.531 175.569 176.117 -0.028 0.000 0.991 292 I CA -0.804 60.492 61.300 -0.007 0.000 1.227 292 I CB 1.734 39.706 38.000 -0.048 0.000 1.366 292 I HN 0.278 nan 8.210 nan 0.000 0.466 293 V N 5.577 125.447 119.914 -0.073 0.000 2.888 293 V HA 0.764 4.884 4.120 0.000 0.000 0.309 293 V C -0.980 174.886 176.094 -0.381 0.000 1.114 293 V CA 0.044 62.226 62.300 -0.196 0.000 0.940 293 V CB 2.372 34.067 31.823 -0.212 0.000 1.021 293 V HN 0.814 nan 8.190 nan 0.000 0.426 294 S N 2.642 118.101 115.700 -0.403 0.000 2.588 294 S HA 0.461 4.931 4.470 0.000 0.000 0.269 294 S C -0.694 173.816 174.600 -0.150 0.000 1.157 294 S CA 0.139 58.112 58.200 -0.379 0.000 0.824 294 S CB 1.953 65.100 63.200 -0.087 0.000 1.126 294 S HN 1.075 nan 8.310 nan 0.000 0.464 295 D N 0.844 121.301 120.400 0.095 0.000 2.325 295 D HA 0.220 4.860 4.640 0.000 0.000 0.225 295 D C -0.204 176.243 176.300 0.246 0.000 1.096 295 D CA 0.088 54.223 54.000 0.226 0.000 0.844 295 D CB 0.095 41.071 40.800 0.294 0.000 0.925 295 D HN 0.295 nan 8.370 nan 0.000 0.513 296 D N -0.047 120.446 120.400 0.155 0.000 2.620 296 D HA 0.412 5.053 4.640 0.000 0.000 0.252 296 D C 0.801 177.001 176.300 -0.167 0.000 1.207 296 D CA -0.694 53.327 54.000 0.034 0.000 0.884 296 D CB 1.840 42.661 40.800 0.035 0.000 1.262 296 D HN -0.053 nan 8.370 nan 0.000 0.552 297 A N 4.421 126.923 122.820 -0.529 0.000 2.019 297 A HA -0.170 4.150 4.320 0.000 0.000 0.219 297 A C 1.939 179.359 177.584 -0.273 0.000 1.164 297 A CA 1.090 52.662 52.037 -0.775 0.000 0.644 297 A CB -0.183 18.064 19.000 -1.254 0.000 0.805 297 A HN 0.656 nan 8.150 nan 0.000 0.449 298 R N -0.146 120.222 120.500 -0.220 0.000 2.127 298 R HA -0.109 4.231 4.340 0.000 0.000 0.238 298 R C 1.283 177.395 176.300 -0.313 0.000 1.134 298 R CA 1.378 57.340 56.100 -0.229 0.000 0.975 298 R CB -0.311 29.939 30.300 -0.083 0.000 0.865 298 R HN 0.472 nan 8.270 nan 0.000 0.447 299 N N 0.350 118.931 118.700 -0.198 0.000 2.457 299 N HA -0.040 4.701 4.740 0.000 0.000 0.180 299 N C 1.506 176.888 175.510 -0.214 0.000 1.050 299 N CA 0.689 53.636 53.050 -0.172 0.000 0.906 299 N CB 0.072 38.520 38.487 -0.064 0.000 0.968 299 N HN 0.151 nan 8.380 nan 0.000 0.445 300 I N 0.967 121.408 120.570 -0.214 0.000 2.202 300 I HA -0.166 4.004 4.170 0.000 0.000 0.242 300 I C 2.105 178.008 176.117 -0.357 0.000 1.091 300 I CA 0.804 61.990 61.300 -0.189 0.000 1.368 300 I CB -1.042 36.936 38.000 -0.036 0.000 1.058 300 I HN 0.102 nan 8.210 nan 0.000 0.410 301 L N 0.707 121.563 121.223 -0.612 0.000 2.131 301 L HA -0.136 4.204 4.340 0.000 0.000 0.210 301 L C 2.588 178.922 176.870 -0.893 0.000 1.092 301 L CA 1.228 55.514 54.840 -0.924 0.000 0.759 301 L CB -0.674 40.535 42.059 -1.417 0.000 0.903 301 L HN 0.184 nan 8.230 nan 0.000 0.435 302 A N -1.043 121.322 122.820 -0.759 0.000 2.167 302 A HA -0.030 4.290 4.320 0.000 0.000 0.214 302 A C 1.451 178.923 177.584 -0.186 0.000 1.151 302 A CA 0.237 52.068 52.037 -0.344 0.000 0.735 302 A CB -0.208 18.702 19.000 -0.149 0.000 0.802 302 A HN 0.279 nan 8.150 nan 0.000 0.467 303 S N 0.198 115.768 115.700 -0.217 0.000 2.549 303 S HA 0.213 4.683 4.470 0.000 0.000 0.283 303 S C 0.707 175.215 174.600 -0.153 0.000 1.320 303 S CA -0.349 57.753 58.200 -0.164 0.000 1.058 303 S CB 0.159 63.257 63.200 -0.169 0.000 0.882 303 S HN 0.389 nan 8.310 nan 0.000 0.498 304 R N 4.423 124.837 120.500 -0.144 0.000 2.652 304 R HA 0.297 4.637 4.340 0.000 0.000 0.372 304 R C 1.255 177.444 176.300 -0.185 0.000 1.104 304 R CA -0.145 55.886 56.100 -0.114 0.000 1.072 304 R CB -0.587 29.677 30.300 -0.060 0.000 1.367 304 R HN 0.695 nan 8.270 nan 0.000 0.577 305 I N 0.407 120.769 120.570 -0.346 0.000 2.163 305 I HA -0.310 3.860 4.170 0.000 0.000 0.243 305 I C 1.700 177.592 176.117 -0.375 0.000 1.085 305 I CA 1.668 62.608 61.300 -0.601 0.000 1.347 305 I CB -0.263 37.339 38.000 -0.664 0.000 1.044 305 I HN 0.102 nan 8.210 nan 0.000 0.408 306 T N 1.388 115.814 114.554 -0.213 0.000 2.674 306 T HA -0.163 4.187 4.350 0.000 0.000 0.265 306 T C 1.948 176.579 174.700 -0.115 0.000 1.039 306 T CA 1.352 63.366 62.100 -0.143 0.000 1.150 306 T CB -0.452 68.394 68.868 -0.036 0.000 0.864 306 T HN 0.234 nan 8.240 nan 0.000 0.427 307 L N 0.898 122.102 121.223 -0.032 0.000 2.083 307 L HA -0.124 4.216 4.340 0.000 0.000 0.209 307 L C 2.412 179.293 176.870 0.019 0.000 1.083 307 L CA 1.382 56.257 54.840 0.058 0.000 0.752 307 L CB -0.715 41.488 42.059 0.241 0.000 0.899 307 L HN 0.345 nan 8.230 nan 0.000 0.433 308 N N -0.207 118.511 118.700 0.031 0.000 2.289 308 N HA -0.138 4.603 4.740 0.000 0.000 0.184 308 N C 1.592 176.980 175.510 -0.204 0.000 1.016 308 N CA 0.712 53.779 53.050 0.030 0.000 0.872 308 N CB -0.013 38.552 38.487 0.130 0.000 0.973 308 N HN 0.294 nan 8.380 nan 0.000 0.433 309 L N 0.207 121.220 121.223 -0.350 0.000 2.591 309 L HA 0.093 4.433 4.340 0.000 0.000 0.228 309 L C 0.347 176.999 176.870 -0.362 0.000 1.133 309 L CA 0.065 54.534 54.840 -0.618 0.000 0.880 309 L CB -0.222 41.231 42.059 -1.009 0.000 1.033 309 L HN 0.181 nan 8.230 nan 0.000 0.450 310 N N 0.496 119.053 118.700 -0.238 0.000 2.495 310 N HA 0.126 4.866 4.740 0.000 0.000 0.280 310 N C -0.103 175.278 175.510 -0.216 0.000 1.168 310 N CA -0.472 52.484 53.050 -0.156 0.000 0.978 310 N CB 1.074 39.483 38.487 -0.132 0.000 1.191 310 N HN 0.005 nan 8.380 nan 0.000 0.497 311 E N 1.431 121.540 120.200 -0.152 0.000 2.415 311 E HA 0.160 4.510 4.350 0.000 0.000 0.262 311 E C -2.021 174.405 176.600 -0.290 0.000 1.038 311 E CA -1.329 54.960 56.400 -0.185 0.000 0.921 311 E CB -0.148 29.481 29.700 -0.117 0.000 0.950 311 E HN 0.291 nan 8.360 nan 0.000 0.438 312 P HA -0.063 nan 4.420 nan 0.000 0.270 312 P C 0.044 177.164 177.300 -0.300 0.000 1.223 312 P CA -0.321 62.562 63.100 -0.362 0.000 0.785 312 P CB 0.451 31.992 31.700 -0.265 0.000 0.923 313 C N 2.909 122.038 119.300 -0.286 0.000 2.334 313 C HA -0.059 4.401 4.460 0.000 0.000 0.395 313 C C 1.443 176.297 174.990 -0.226 0.000 1.507 313 C CA 0.656 59.524 59.018 -0.250 0.000 1.494 313 C CB -1.646 25.994 27.740 -0.167 0.000 2.509 313 C HN 0.514 nan 8.230 nan 0.000 0.599 314 K N 4.446 124.661 120.400 -0.310 0.000 2.358 314 K HA 0.278 4.598 4.320 0.000 0.000 0.200 314 K C -0.076 176.476 176.600 -0.080 0.000 1.030 314 K CA 0.253 56.409 56.287 -0.218 0.000 1.097 314 K CB 0.270 32.579 32.500 -0.319 0.000 0.862 314 K HN 0.685 nan 8.250 nan 0.000 0.534 315 I N 1.592 122.128 120.570 -0.056 0.000 2.310 315 I HA 0.112 4.282 4.170 0.000 0.000 0.287 315 I C 1.186 177.333 176.117 0.050 0.000 1.073 315 I CA -0.347 60.998 61.300 0.075 0.000 1.216 315 I CB 1.306 39.379 38.000 0.123 0.000 1.415 315 I HN 0.059 nan 8.210 nan 0.000 0.480 316 A N 4.819 127.681 122.820 0.069 0.000 1.972 316 A HA -0.191 4.129 4.320 0.000 0.000 0.219 316 A C 1.630 179.251 177.584 0.062 0.000 1.169 316 A CA 1.787 53.852 52.037 0.047 0.000 0.635 316 A CB -0.288 18.740 19.000 0.048 0.000 0.810 316 A HN 0.809 nan 8.150 nan 0.000 0.446 317 D N -0.973 119.505 120.400 0.130 0.000 2.427 317 D HA 0.426 5.066 4.640 0.000 0.000 0.224 317 D C 1.216 177.571 176.300 0.091 0.000 1.157 317 D CA 0.570 54.664 54.000 0.157 0.000 0.828 317 D CB -0.252 40.692 40.800 0.239 0.000 0.974 317 D HN 0.251 nan 8.370 nan 0.000 0.498 318 A N 1.128 123.905 122.820 -0.072 0.000 1.908 318 A HA -0.012 4.308 4.320 0.000 0.000 0.218 318 A C 2.396 179.742 177.584 -0.396 0.000 1.181 318 A CA 1.904 53.684 52.037 -0.427 0.000 0.627 318 A CB -0.855 17.954 19.000 -0.319 0.000 0.818 318 A HN 0.393 nan 8.150 nan 0.000 0.445 319 A N 0.250 122.974 122.820 -0.161 0.000 2.024 319 A HA -0.113 4.207 4.320 0.000 0.000 0.220 319 A C 2.412 179.965 177.584 -0.053 0.000 1.164 319 A CA 2.295 54.276 52.037 -0.093 0.000 0.643 319 A CB -0.848 18.128 19.000 -0.039 0.000 0.806 319 A HN 1.083 nan 8.150 nan 0.000 0.451 320 S N -1.504 114.197 115.700 0.001 0.000 2.489 320 S HA -0.048 4.422 4.470 0.000 0.000 0.228 320 S C 1.506 176.227 174.600 0.201 0.000 0.995 320 S CA 0.816 59.081 58.200 0.107 0.000 0.934 320 S CB -0.470 62.833 63.200 0.171 0.000 0.771 320 S HN 1.014 nan 8.310 nan 0.000 0.522 321 W N -0.000 121.320 121.300 0.034 0.000 2.576 321 W HA 0.466 5.127 4.660 0.000 0.000 0.236 321 W C -0.835 175.709 176.519 0.042 0.000 0.989 321 W CA -0.337 57.026 57.345 0.030 0.000 1.254 321 W CB 0.063 29.538 29.460 0.025 0.000 0.857 321 W HN -0.074 nan 8.180 nan 0.000 0.662 322 V N 5.132 124.778 119.914 -0.447 0.000 2.479 322 V HA 0.218 4.338 4.120 0.000 0.000 0.281 322 V C 0.106 176.161 176.094 -0.064 0.000 1.031 322 V CA 0.581 62.695 62.300 -0.309 0.000 1.038 322 V CB 0.421 31.981 31.823 -0.438 0.000 0.981 322 V HN -0.048 nan 8.190 nan 0.000 0.478 323 K N 5.014 125.397 120.400 -0.028 0.000 2.502 323 K HA 0.521 4.841 4.320 0.000 0.000 0.257 323 K C -2.886 173.644 176.600 -0.117 0.000 0.938 323 K CA -1.914 54.349 56.287 -0.041 0.000 0.819 323 K CB 2.317 34.806 32.500 -0.019 0.000 1.333 323 K HN 0.244 nan 8.250 nan 0.000 0.434 324 P HA 0.197 nan 4.420 nan 0.000 0.270 324 P C -0.868 176.340 177.300 -0.153 0.000 1.223 324 P CA -0.479 62.490 63.100 -0.219 0.000 0.785 324 P CB 0.573 32.144 31.700 -0.216 0.000 0.923 325 V N 1.963 121.795 119.914 -0.137 0.000 2.569 325 V HA 0.315 4.435 4.120 0.000 0.000 0.301 325 V C -0.155 175.970 176.094 0.052 0.000 1.044 325 V CA -0.622 61.648 62.300 -0.051 0.000 0.874 325 V CB 1.737 33.512 31.823 -0.080 0.000 1.002 325 V HN 0.415 nan 8.190 nan 0.000 0.424 326 K N 4.848 125.293 120.400 0.076 0.000 2.185 326 K HA 0.684 5.004 4.320 0.000 0.000 0.269 326 K C -1.394 175.482 176.600 0.459 0.000 0.987 326 K CA -0.504 55.888 56.287 0.175 0.000 0.865 326 K CB 1.372 33.807 32.500 -0.108 0.000 1.090 326 K HN 0.770 nan 8.250 nan 0.000 0.450 327 Y N 2.511 123.005 120.300 0.323 0.000 2.588 327 Y HA 0.571 5.121 4.550 0.000 0.000 0.343 327 Y C -0.785 175.203 175.900 0.145 0.000 1.065 327 Y CA -1.403 56.855 58.100 0.263 0.000 1.038 327 Y CB 0.925 39.448 38.460 0.106 0.000 1.297 327 Y HN 0.469 nan 8.280 nan 0.000 0.467 328 I N 0.041 120.611 120.570 0.001 0.000 3.237 328 I HA 1.116 5.286 4.170 0.000 0.000 0.308 328 I C -0.274 175.929 176.117 0.143 0.000 1.093 328 I CA -1.344 59.904 61.300 -0.087 0.000 1.001 328 I CB 2.290 40.217 38.000 -0.122 0.000 1.245 328 I HN 0.975 nan 8.210 nan 0.000 0.485 329 G N 0.634 109.553 108.800 0.200 0.000 2.703 329 G HA2 0.483 4.443 3.960 0.000 0.000 0.294 329 G HA3 0.483 4.443 3.960 0.000 0.000 0.294 329 G C -1.521 173.416 174.900 0.061 0.000 1.451 329 G CA -0.618 44.589 45.100 0.178 0.000 0.869 329 G HN 0.503 nan 8.290 nan 0.000 0.516 330 V N 1.418 121.162 119.914 -0.282 0.000 2.381 330 V HA 0.333 4.453 4.120 0.000 0.000 0.257 330 V C 0.321 176.377 176.094 -0.064 0.000 1.057 330 V CA 0.836 62.880 62.300 -0.427 0.000 1.013 330 V CB 0.038 31.537 31.823 -0.541 0.000 1.069 330 V HN 0.872 nan 8.190 nan 0.000 0.484 331 W N 4.067 125.249 121.300 -0.197 0.000 5.420 331 W HA 0.071 4.731 4.660 0.000 0.000 0.158 331 W C 1.601 178.081 176.519 -0.066 0.000 1.406 331 W CA -0.113 57.150 57.345 -0.137 0.000 1.857 331 W CB -0.443 29.009 29.460 -0.012 0.000 0.541 331 W HN 0.426 nan 8.180 nan 0.000 1.113 332 W N 2.689 123.796 121.300 -0.322 0.000 2.374 332 W HA -0.175 4.485 4.660 0.000 0.000 0.288 332 W C 1.274 177.488 176.519 -0.507 0.000 1.218 332 W CA 2.208 59.201 57.345 -0.587 0.000 1.245 332 W CB -0.253 29.077 29.460 -0.217 0.000 1.126 332 W HN -0.106 nan 8.180 nan 0.000 0.545 333 D N 0.601 120.828 120.400 -0.288 0.000 2.154 333 D HA -0.268 4.372 4.640 0.000 0.000 0.190 333 D C 1.940 177.882 176.300 -0.596 0.000 1.003 333 D CA 2.539 56.303 54.000 -0.393 0.000 0.849 333 D CB -0.622 39.993 40.800 -0.308 0.000 0.942 333 D HN 0.182 nan 8.370 nan 0.000 0.446 334 M N -0.551 118.558 119.600 -0.819 0.000 2.287 334 M HA 0.012 4.492 4.480 0.000 0.000 0.266 334 M C 1.934 177.686 176.300 -0.913 0.000 1.079 334 M CA 0.469 55.088 55.300 -1.135 0.000 1.146 334 M CB -0.011 31.264 32.600 -2.208 0.000 1.374 334 M HN -0.011 nan 8.290 nan 0.000 0.435 335 I N 0.317 120.366 120.570 -0.869 0.000 2.286 335 I HA -0.221 3.949 4.170 0.000 0.000 0.248 335 I C 2.339 178.114 176.117 -0.569 0.000 1.115 335 I CA 2.005 62.949 61.300 -0.594 0.000 1.392 335 I CB -1.735 35.668 38.000 -0.994 0.000 1.065 335 I HN 0.425 nan 8.210 nan 0.000 0.418 336 T N -2.219 111.822 114.554 -0.855 0.000 3.067 336 T HA 0.214 4.564 4.350 0.000 0.000 0.261 336 T C 1.606 176.071 174.700 -0.391 0.000 1.110 336 T CA 0.816 62.486 62.100 -0.716 0.000 1.113 336 T CB 0.227 68.541 68.868 -0.923 0.000 0.917 336 T HN 0.475 nan 8.240 nan 0.000 0.499 337 G N 1.483 110.063 108.800 -0.366 0.000 2.176 337 G HA2 -0.293 3.668 3.960 0.000 0.000 0.232 337 G HA3 -0.293 3.668 3.960 0.000 0.000 0.232 337 G C 0.701 175.462 174.900 -0.232 0.000 0.986 337 G CA 0.550 45.506 45.100 -0.240 0.000 0.643 337 G HN 0.625 nan 8.290 nan 0.000 0.522 338 K N 0.457 120.687 120.400 -0.283 0.000 2.057 338 K HA 0.174 4.494 4.320 0.000 0.000 0.207 338 K C 1.494 177.970 176.600 -0.206 0.000 1.049 338 K CA 1.690 57.844 56.287 -0.221 0.000 0.931 338 K CB -0.248 32.116 32.500 -0.227 0.000 0.714 338 K HN 0.637 nan 8.250 nan 0.000 0.440 339 G N -0.752 107.883 108.800 -0.275 0.000 2.714 339 G HA2 0.395 4.355 3.960 0.000 0.000 0.292 339 G HA3 0.395 4.355 3.960 0.000 0.000 0.292 339 G C -1.581 173.129 174.900 -0.316 0.000 1.308 339 G CA -0.641 44.299 45.100 -0.266 0.000 0.964 339 G HN 0.110 nan 8.290 nan 0.000 0.484 340 S N -1.319 114.235 115.700 -0.244 0.000 2.568 340 S HA 0.441 4.911 4.470 0.000 0.000 0.302 340 S C 0.395 174.886 174.600 -0.182 0.000 1.082 340 S CA -0.810 57.297 58.200 -0.155 0.000 1.009 340 S CB 0.871 64.071 63.200 -0.000 0.000 1.069 340 S HN 0.578 nan 8.310 nan 0.000 0.500 341 W N 2.093 123.311 121.300 -0.135 0.000 2.436 341 W HA 0.168 4.828 4.660 0.000 0.000 0.284 341 W C 1.269 177.783 176.519 -0.008 0.000 1.225 341 W CA 0.296 57.442 57.345 -0.331 0.000 1.271 341 W CB -0.639 28.305 29.460 -0.860 0.000 1.114 341 W HN 0.756 nan 8.180 nan 0.000 0.559 342 A N -0.169 122.844 122.820 0.322 0.000 2.386 342 A HA 0.071 4.391 4.320 0.000 0.000 0.248 342 A C 0.273 177.697 177.584 -0.267 0.000 1.082 342 A CA -0.156 51.992 52.037 0.185 0.000 0.789 342 A CB 0.413 19.570 19.000 0.261 0.000 1.025 342 A HN 0.314 nan 8.150 nan 0.000 0.490 343 Y N 1.487 121.260 120.300 -0.879 0.000 2.347 343 Y HA 0.186 4.736 4.550 0.000 0.000 0.294 343 Y C 1.168 176.823 175.900 -0.407 0.000 1.117 343 Y CA 1.787 59.190 58.100 -1.161 0.000 1.184 343 Y CB 0.260 37.691 38.460 -1.715 0.000 1.047 343 Y HN 0.636 nan 8.280 nan 0.000 0.546 344 T N -0.613 113.886 114.554 -0.091 0.000 2.900 344 T HA 0.267 4.617 4.350 0.000 0.000 0.295 344 T C -0.568 174.146 174.700 0.024 0.000 1.044 344 T CA -0.679 61.400 62.100 -0.035 0.000 0.995 344 T CB 1.323 70.278 68.868 0.145 0.000 1.072 344 T HN 0.081 nan 8.240 nan 0.000 0.473 345 D N 1.695 122.093 120.400 -0.004 0.000 2.369 345 D HA 0.165 4.806 4.640 0.000 0.000 0.211 345 D C 1.478 177.790 176.300 0.020 0.000 1.077 345 D CA 0.172 54.183 54.000 0.018 0.000 0.842 345 D CB 0.539 41.338 40.800 -0.001 0.000 0.947 345 D HN 0.668 nan 8.370 nan 0.000 0.509 346 E N -0.015 120.198 120.200 0.020 0.000 2.274 346 E HA 0.009 4.359 4.350 0.000 0.000 0.194 346 E C 0.418 177.024 176.600 0.009 0.000 0.996 346 E CA 0.534 56.941 56.400 0.012 0.000 0.840 346 E CB 0.563 30.270 29.700 0.012 0.000 0.772 346 E HN 0.264 nan 8.360 nan 0.000 0.491 347 L N 1.017 122.251 121.223 0.018 0.000 2.317 347 L HA 0.163 4.504 4.340 0.000 0.000 0.281 347 L C 1.546 178.418 176.870 0.003 0.000 1.024 347 L CA -0.357 54.482 54.840 -0.002 0.000 0.810 347 L CB 1.660 43.707 42.059 -0.021 0.000 1.240 347 L HN 0.004 nan 8.230 nan 0.000 0.427 348 T N -2.397 112.151 114.554 -0.010 0.000 3.055 348 T HA 0.029 4.380 4.350 0.000 0.000 0.265 348 T C 0.632 175.324 174.700 -0.015 0.000 1.111 348 T CA 0.569 62.664 62.100 -0.009 0.000 1.118 348 T CB -0.007 68.853 68.868 -0.014 0.000 0.909 348 T HN 0.684 nan 8.240 nan 0.000 0.501 349 S N -0.400 115.284 115.700 -0.026 0.000 2.627 349 S HA 0.575 5.045 4.470 0.000 0.000 0.268 349 S C -1.276 173.287 174.600 -0.063 0.000 1.130 349 S CA -0.482 57.694 58.200 -0.040 0.000 0.819 349 S CB 1.373 64.542 63.200 -0.052 0.000 1.100 349 S HN 1.075 nan 8.310 nan 0.000 0.465 350 V N -1.218 118.645 119.914 -0.086 0.000 2.962 350 V HA 0.836 4.956 4.120 0.000 0.000 0.313 350 V C -1.295 174.712 176.094 -0.144 0.000 1.099 350 V CA -0.882 61.343 62.300 -0.124 0.000 0.971 350 V CB 1.871 33.630 31.823 -0.107 0.000 1.028 350 V HN 1.008 nan 8.190 nan 0.000 0.430 351 K N 4.026 124.339 120.400 -0.145 0.000 2.507 351 K HA 0.549 4.870 4.320 0.000 0.000 0.253 351 K C -1.003 175.515 176.600 -0.135 0.000 0.969 351 K CA -0.568 55.645 56.287 -0.123 0.000 0.908 351 K CB 1.945 34.409 32.500 -0.061 0.000 1.127 351 K HN 0.706 nan 8.250 nan 0.000 0.437 352 L N 1.368 122.444 121.223 -0.245 0.000 2.490 352 L HA 0.009 4.349 4.340 0.000 0.000 0.274 352 L C 1.422 178.284 176.870 -0.012 0.000 1.201 352 L CA 0.861 55.558 54.840 -0.238 0.000 0.869 352 L CB 0.084 41.755 42.059 -0.647 0.000 1.123 352 L HN 1.067 nan 8.230 nan 0.000 0.484 353 G N 1.903 110.710 108.800 0.011 0.000 2.199 353 G HA2 -0.249 3.711 3.960 0.000 0.000 0.254 353 G HA3 -0.249 3.711 3.960 0.000 0.000 0.254 353 G C 0.686 175.600 174.900 0.025 0.000 0.982 353 G CA 0.489 45.624 45.100 0.057 0.000 0.632 353 G HN 0.726 nan 8.290 nan 0.000 0.529 354 E N -0.802 119.392 120.200 -0.011 0.000 2.444 354 E HA 0.134 4.484 4.350 0.000 0.000 0.203 354 E C 0.540 177.097 176.600 -0.071 0.000 0.847 354 E CA 0.401 56.784 56.400 -0.029 0.000 1.142 354 E CB 0.339 30.023 29.700 -0.026 0.000 1.125 354 E HN 0.265 nan 8.360 nan 0.000 0.521 355 T N 2.402 116.879 114.554 -0.129 0.000 2.867 355 T HA -0.006 4.344 4.350 0.000 0.000 0.297 355 T C -0.402 174.165 174.700 -0.223 0.000 0.989 355 T CA 0.449 62.408 62.100 -0.235 0.000 1.159 355 T CB 0.305 68.934 68.868 -0.399 0.000 0.928 355 T HN -0.011 nan 8.240 nan 0.000 0.538 356 D N 2.331 122.628 120.400 -0.171 0.000 2.443 356 D HA 0.164 4.804 4.640 0.000 0.000 0.221 356 D C 0.348 176.607 176.300 -0.069 0.000 1.097 356 D CA -0.558 53.400 54.000 -0.071 0.000 0.865 356 D CB 0.276 41.063 40.800 -0.022 0.000 1.034 356 D HN 0.538 nan 8.370 nan 0.000 0.511 357 Y N 1.437 121.734 120.300 -0.005 0.000 2.421 357 Y HA -0.193 4.358 4.550 0.000 0.000 0.292 357 Y C 2.612 178.514 175.900 0.004 0.000 1.136 357 Y CA 1.240 59.331 58.100 -0.015 0.000 1.255 357 Y CB 0.073 38.468 38.460 -0.108 0.000 0.991 357 Y HN 0.434 nan 8.280 nan 0.000 0.552 358 S N -0.181 115.603 115.700 0.141 0.000 2.507 358 S HA -0.112 4.358 4.470 0.000 0.000 0.235 358 S C 1.331 176.003 174.600 0.120 0.000 0.988 358 S CA 0.732 59.006 58.200 0.124 0.000 0.944 358 S CB -0.239 63.017 63.200 0.093 0.000 0.762 358 S HN 0.428 nan 8.310 nan 0.000 0.526 359 K N 1.874 122.330 120.400 0.092 0.000 2.372 359 K HA 0.121 4.442 4.320 0.000 0.000 0.200 359 K C 0.389 177.036 176.600 0.078 0.000 1.022 359 K CA 0.302 56.630 56.287 0.068 0.000 1.125 359 K CB 0.578 33.096 32.500 0.030 0.000 0.855 359 K HN 0.615 nan 8.250 nan 0.000 0.524 360 T N -1.448 113.191 114.554 0.141 0.000 2.929 360 T HA 0.269 4.619 4.350 0.000 0.000 0.284 360 T C -0.299 174.505 174.700 0.174 0.000 1.014 360 T CA -0.921 61.269 62.100 0.151 0.000 1.051 360 T CB 2.097 71.082 68.868 0.196 0.000 1.028 360 T HN -0.109 nan 8.240 nan 0.000 0.485 361 K N 2.555 123.000 120.400 0.076 0.000 2.312 361 K HA 0.325 4.645 4.320 0.000 0.000 0.287 361 K C -2.478 174.046 176.600 -0.126 0.000 1.062 361 K CA -2.110 54.178 56.287 0.001 0.000 0.934 361 K CB 0.202 32.693 32.500 -0.014 0.000 1.027 361 K HN 0.365 nan 8.250 nan 0.000 0.478 362 P HA -0.049 nan 4.420 nan 0.000 0.265 362 P C -0.465 176.651 177.300 -0.307 0.000 1.187 362 P CA 0.088 62.850 63.100 -0.563 0.000 0.766 362 P CB 0.469 31.902 31.700 -0.445 0.000 0.820 363 N N 2.079 120.598 118.700 -0.302 0.000 2.461 363 N HA 0.025 4.765 4.740 0.000 0.000 0.188 363 N C 1.250 176.687 175.510 -0.120 0.000 1.134 363 N CA 0.755 53.709 53.050 -0.160 0.000 0.878 363 N CB -0.661 37.754 38.487 -0.121 0.000 0.972 363 N HN 0.599 nan 8.380 nan 0.000 0.456 364 G N -0.027 108.693 108.800 -0.134 0.000 2.179 364 G HA2 -0.341 3.619 3.960 0.000 0.000 0.260 364 G HA3 -0.341 3.619 3.960 0.000 0.000 0.260 364 G C 0.682 175.536 174.900 -0.077 0.000 0.977 364 G CA 0.626 45.671 45.100 -0.091 0.000 0.641 364 G HN 0.508 nan 8.290 nan 0.000 0.533 365 K N -0.559 119.794 120.400 -0.079 0.000 2.438 365 K HA 0.156 4.476 4.320 0.000 0.000 0.206 365 K C 0.360 176.920 176.600 -0.066 0.000 1.081 365 K CA -0.339 55.901 56.287 -0.078 0.000 1.053 365 K CB 0.589 33.041 32.500 -0.079 0.000 0.908 365 K HN 0.412 nan 8.250 nan 0.000 0.556 366 H N 0.772 119.743 119.070 -0.165 0.000 3.004 366 H HA 0.162 4.718 4.556 0.000 0.000 0.267 366 H C 0.511 175.767 175.328 -0.120 0.000 1.165 366 H CA -0.103 55.848 56.048 -0.162 0.000 1.450 366 H CB 0.525 30.175 29.762 -0.187 0.000 1.488 366 H HN -0.069 nan 8.280 nan 0.000 0.478 367 S N 3.452 118.919 115.700 -0.388 0.000 2.423 367 S HA -0.035 4.435 4.470 0.000 0.000 0.231 367 S C 1.438 175.802 174.600 -0.393 0.000 1.014 367 S CA 0.708 58.701 58.200 -0.345 0.000 0.965 367 S CB 0.107 63.111 63.200 -0.327 0.000 0.785 367 S HN 0.766 nan 8.310 nan 0.000 0.495 368 A N 3.801 126.242 122.820 -0.631 0.000 3.077 368 A HA 0.207 4.528 4.320 0.000 0.000 0.255 368 A C 0.434 177.977 177.584 -0.068 0.000 1.728 368 A CA -0.665 51.191 52.037 -0.300 0.000 1.383 368 A CB -0.828 18.056 19.000 -0.193 0.000 1.097 368 A HN 0.600 nan 8.150 nan 0.000 0.634 369 N N -0.838 117.843 118.700 -0.032 0.000 2.370 369 N HA 0.178 4.918 4.740 0.000 0.000 0.303 369 N C 0.420 175.969 175.510 0.065 0.000 1.103 369 N CA -0.174 52.943 53.050 0.111 0.000 0.848 369 N CB 0.962 39.493 38.487 0.073 0.000 1.235 369 N HN -0.010 nan 8.380 nan 0.000 0.496 370 T N 1.291 115.862 114.554 0.028 0.000 2.653 370 T HA -0.233 4.118 4.350 0.000 0.000 0.268 370 T C 1.932 176.577 174.700 -0.090 0.000 1.035 370 T CA 2.414 64.457 62.100 -0.095 0.000 1.154 370 T CB -0.479 68.324 68.868 -0.109 0.000 0.862 370 T HN 0.769 nan 8.240 nan 0.000 0.441 371 A N 1.740 124.528 122.820 -0.053 0.000 1.902 371 A HA -0.166 4.154 4.320 0.000 0.000 0.217 371 A C 2.235 179.805 177.584 -0.023 0.000 1.181 371 A CA 2.045 54.047 52.037 -0.059 0.000 0.623 371 A CB -0.855 18.127 19.000 -0.031 0.000 0.818 371 A HN 0.488 nan 8.150 nan 0.000 0.443 372 N N 0.010 118.716 118.700 0.009 0.000 2.106 372 N HA -0.122 4.618 4.740 0.000 0.000 0.188 372 N C 1.490 177.076 175.510 0.126 0.000 1.029 372 N CA 1.754 54.846 53.050 0.071 0.000 0.848 372 N CB -0.385 38.122 38.487 0.032 0.000 1.007 372 N HN 0.147 nan 8.380 nan 0.000 0.423 373 V N 0.960 120.895 119.914 0.035 0.000 2.392 373 V HA -0.210 3.910 4.120 0.000 0.000 0.249 373 V C 2.190 178.339 176.094 0.092 0.000 1.059 373 V CA 1.566 63.892 62.300 0.043 0.000 1.051 373 V CB -0.439 31.404 31.823 0.032 0.000 0.658 373 V HN 0.367 nan 8.190 nan 0.000 0.455 374 K N -0.293 120.093 120.400 -0.022 0.000 2.097 374 K HA -0.134 4.186 4.320 0.000 0.000 0.206 374 K C 2.378 179.038 176.600 0.100 0.000 1.049 374 K CA 1.215 57.445 56.287 -0.094 0.000 0.933 374 K CB -0.217 31.985 32.500 -0.497 0.000 0.717 374 K HN 0.424 nan 8.250 nan 0.000 0.442 375 R N -0.327 120.245 120.500 0.119 0.000 2.092 375 R HA -0.127 4.213 4.340 0.000 0.000 0.231 375 R C 2.107 178.526 176.300 0.199 0.000 1.119 375 R CA 1.386 57.572 56.100 0.144 0.000 0.970 375 R CB -0.292 30.060 30.300 0.087 0.000 0.864 375 R HN 0.235 nan 8.270 nan 0.000 0.440 376 Y N 0.829 121.179 120.300 0.084 0.000 2.200 376 Y HA -0.138 4.412 4.550 0.000 0.000 0.290 376 Y C 2.184 178.192 175.900 0.180 0.000 1.137 376 Y CA 1.027 59.197 58.100 0.117 0.000 1.163 376 Y CB -0.331 38.173 38.460 0.072 0.000 0.988 376 Y HN -0.035 nan 8.280 nan 0.000 0.518 377 I N -0.200 120.571 120.570 0.335 0.000 2.208 377 I HA -0.330 3.840 4.170 0.000 0.000 0.245 377 I C 1.916 178.183 176.117 0.250 0.000 1.097 377 I CA 1.474 62.943 61.300 0.281 0.000 1.363 377 I CB -0.353 37.843 38.000 0.326 0.000 1.051 377 I HN 0.178 nan 8.210 nan 0.000 0.413 378 D N 0.509 121.077 120.400 0.280 0.000 2.104 378 D HA -0.237 4.403 4.640 0.000 0.000 0.194 378 D C 1.953 178.353 176.300 0.167 0.000 0.994 378 D CA 1.451 55.575 54.000 0.207 0.000 0.830 378 D CB -0.400 40.526 40.800 0.210 0.000 0.959 378 D HN 0.261 nan 8.370 nan 0.000 0.452 379 F N 1.408 121.401 119.950 0.072 0.000 2.134 379 F HA -0.114 4.413 4.527 0.000 0.000 0.299 379 F C 2.228 178.123 175.800 0.159 0.000 1.097 379 F CA 1.462 59.520 58.000 0.096 0.000 1.264 379 F CB -0.264 38.739 39.000 0.005 0.000 1.001 379 F HN -0.067 nan 8.300 nan 0.000 0.479 380 A N 0.278 123.238 122.820 0.234 0.000 1.877 380 A HA -0.101 4.220 4.320 0.000 0.000 0.216 380 A C 2.384 180.073 177.584 0.176 0.000 1.186 380 A CA 1.913 54.072 52.037 0.203 0.000 0.620 380 A CB -1.556 17.573 19.000 0.216 0.000 0.822 380 A HN 0.476 nan 8.150 nan 0.000 0.443 381 A N -0.380 122.487 122.820 0.079 0.000 1.930 381 A HA 0.255 4.575 4.320 0.000 0.000 0.217 381 A C 2.446 179.974 177.584 -0.094 0.000 1.175 381 A CA 1.758 53.798 52.037 0.005 0.000 0.627 381 A CB -0.887 18.101 19.000 -0.019 0.000 0.815 381 A HN 1.055 nan 8.150 nan 0.000 0.443 382 A N -1.381 121.313 122.820 -0.210 0.000 2.019 382 A HA -0.140 4.180 4.320 0.000 0.000 0.219 382 A C 1.669 178.882 177.584 -0.619 0.000 1.164 382 A CA 1.450 53.211 52.037 -0.460 0.000 0.644 382 A CB -0.567 18.043 19.000 -0.650 0.000 0.805 382 A HN 0.641 nan 8.150 nan 0.000 0.449 383 H N -1.975 117.041 119.070 -0.089 0.000 2.581 383 H HA 0.325 4.881 4.556 0.000 0.000 0.275 383 H C 1.330 176.613 175.328 -0.075 0.000 1.126 383 H CA 0.329 56.348 56.048 -0.049 0.000 1.097 383 H CB 0.085 29.856 29.762 0.016 0.000 1.626 383 H HN 0.596 nan 8.280 nan 0.000 0.565 384 G N 1.145 109.943 108.800 -0.004 0.000 2.147 384 G HA2 -0.279 3.681 3.960 0.000 0.000 0.244 384 G HA3 -0.279 3.681 3.960 0.000 0.000 0.244 384 G C -0.045 174.747 174.900 -0.180 0.000 1.005 384 G CA -0.218 44.814 45.100 -0.114 0.000 0.713 384 G HN 0.225 nan 8.290 nan 0.000 0.515 385 F N 0.476 120.395 119.950 -0.052 0.000 2.444 385 F HA 0.341 4.868 4.527 0.000 0.000 0.331 385 F C 1.616 177.413 175.800 -0.004 0.000 1.167 385 F CA 0.236 58.225 58.000 -0.018 0.000 1.262 385 F CB 0.580 39.613 39.000 0.055 0.000 1.196 385 F HN -0.016 nan 8.300 nan 0.000 0.583 386 D N 0.600 121.108 120.400 0.180 0.000 2.277 386 D HA 0.214 4.855 4.640 0.000 0.000 0.209 386 D C 0.279 176.655 176.300 0.127 0.000 0.970 386 D CA 0.745 54.804 54.000 0.098 0.000 0.874 386 D CB 0.379 41.204 40.800 0.042 0.000 0.982 386 D HN 0.407 nan 8.370 nan 0.000 0.504 387 A N 0.013 122.958 122.820 0.209 0.000 2.609 387 A HA 0.578 4.898 4.320 0.000 0.000 0.291 387 A C -1.481 176.245 177.584 0.236 0.000 1.096 387 A CA -0.529 51.610 52.037 0.168 0.000 0.684 387 A CB 1.929 20.984 19.000 0.091 0.000 1.282 387 A HN -0.108 nan 8.150 nan 0.000 0.412 388 V N 1.558 121.580 119.914 0.181 0.000 2.483 388 V HA 0.442 4.562 4.120 0.000 0.000 0.297 388 V C -0.632 175.563 176.094 0.168 0.000 1.027 388 V CA -0.430 61.994 62.300 0.206 0.000 0.855 388 V CB 1.315 33.249 31.823 0.186 0.000 0.995 388 V HN 0.920 nan 8.190 nan 0.000 0.424 389 L N 7.011 128.363 121.223 0.215 0.000 2.371 389 L HA 0.678 5.018 4.340 0.000 0.000 0.272 389 L C -0.462 176.460 176.870 0.087 0.000 1.124 389 L CA 0.533 55.450 54.840 0.128 0.000 0.816 389 L CB 1.423 43.576 42.059 0.156 0.000 1.129 389 L HN 0.436 nan 8.230 nan 0.000 0.448 390 V N 4.800 124.766 119.914 0.087 0.000 2.531 390 V HA 0.491 4.612 4.120 0.000 0.000 0.301 390 V C -0.440 175.719 176.094 0.107 0.000 1.034 390 V CA -0.711 61.630 62.300 0.068 0.000 0.865 390 V CB 1.528 33.450 31.823 0.165 0.000 0.995 390 V HN 0.832 nan 8.190 nan 0.000 0.424 391 E N 2.470 122.678 120.200 0.013 0.000 2.207 391 E HA 0.631 4.982 4.350 0.000 0.000 0.270 391 E C 0.767 177.309 176.600 -0.097 0.000 0.927 391 E CA -0.226 56.200 56.400 0.043 0.000 0.799 391 E CB 1.972 31.645 29.700 -0.046 0.000 1.172 391 E HN 1.032 nan 8.360 nan 0.000 0.404 392 G N 2.067 110.702 108.800 -0.276 0.000 2.132 392 G HA2 -0.206 3.754 3.960 0.000 0.000 0.228 392 G HA3 -0.206 3.754 3.960 0.000 0.000 0.228 392 G C 0.445 175.397 174.900 0.087 0.000 1.000 392 G CA 0.401 45.238 45.100 -0.438 0.000 0.693 392 G HN 0.759 nan 8.290 nan 0.000 0.515 393 W N 1.189 122.406 121.300 -0.138 0.000 2.576 393 W HA 0.201 4.861 4.660 0.000 0.000 0.270 393 W C 0.354 176.691 176.519 -0.304 0.000 1.255 393 W CA 0.818 57.881 57.345 -0.470 0.000 1.314 393 W CB -0.573 28.129 29.460 -1.264 0.000 1.101 393 W HN 0.454 nan 8.180 nan 0.000 0.595 394 N N 1.523 119.452 118.700 -1.284 0.000 2.384 394 N HA 0.123 4.863 4.740 0.000 0.000 0.301 394 N C -0.673 174.013 175.510 -1.373 0.000 1.133 394 N CA -0.620 51.481 53.050 -1.581 0.000 0.853 394 N CB 1.193 38.300 38.487 -2.299 0.000 1.241 394 N HN 0.040 nan 8.380 nan 0.000 0.502 395 E N -0.567 118.860 120.200 -1.290 0.000 2.502 395 E HA 0.251 4.601 4.350 0.000 0.000 0.261 395 E C 0.567 176.828 176.600 -0.565 0.000 0.974 395 E CA 1.084 56.816 56.400 -1.113 0.000 0.936 395 E CB 0.157 29.510 29.700 -0.579 0.000 0.926 395 E HN 0.931 nan 8.360 nan 0.000 0.459 396 G N 2.477 111.115 108.800 -0.270 0.000 2.367 396 G HA2 -0.208 3.752 3.960 0.000 0.000 0.181 396 G HA3 -0.208 3.752 3.960 0.000 0.000 0.181 396 G C 0.438 175.221 174.900 -0.195 0.000 1.000 396 G CA -0.270 44.636 45.100 -0.323 0.000 0.693 396 G HN 0.665 nan 8.290 nan 0.000 0.480 397 W N 1.474 122.897 121.300 0.205 0.000 2.465 397 W HA 0.288 4.948 4.660 0.000 0.000 0.268 397 W C 2.170 178.892 176.519 0.338 0.000 1.242 397 W CA 1.349 58.877 57.345 0.303 0.000 1.248 397 W CB 0.102 29.753 29.460 0.318 0.000 1.118 397 W HN 0.319 nan 8.180 nan 0.000 0.587 398 E N -0.219 120.256 120.200 0.457 0.000 2.171 398 E HA -0.205 4.145 4.350 0.000 0.000 0.197 398 E C 0.937 177.673 176.600 0.227 0.000 0.997 398 E CA 1.525 58.122 56.400 0.328 0.000 0.810 398 E CB -0.348 29.511 29.700 0.265 0.000 0.738 398 E HN 0.135 nan 8.360 nan 0.000 0.467 399 D N -1.346 119.117 120.400 0.106 0.000 2.440 399 D HA 0.006 4.646 4.640 0.000 0.000 0.216 399 D C 0.821 177.073 176.300 -0.080 0.000 1.150 399 D CA -0.177 53.805 54.000 -0.031 0.000 0.832 399 D CB -0.215 40.491 40.800 -0.156 0.000 0.992 399 D HN 0.381 nan 8.370 nan 0.000 0.502 400 W N 0.084 121.274 121.300 -0.182 0.000 2.595 400 W HA 0.100 4.761 4.660 0.000 0.000 0.257 400 W C -0.572 175.897 176.519 -0.083 0.000 1.267 400 W CA -0.216 56.953 57.345 -0.294 0.000 1.300 400 W CB -0.614 28.694 29.460 -0.254 0.000 1.120 400 W HN -0.117 nan 8.180 nan 0.000 0.618 401 F N 1.663 121.165 119.950 -0.747 0.000 2.427 401 F HA 0.556 5.083 4.527 0.000 0.000 0.348 401 F C 1.049 176.559 175.800 -0.483 0.000 1.125 401 F CA 0.384 57.792 58.000 -0.986 0.000 0.989 401 F CB 1.235 39.371 39.000 -1.439 0.000 1.165 401 F HN 0.148 nan 8.300 nan 0.000 0.442 402 G N 3.884 112.150 108.800 -0.889 0.000 2.148 402 G HA2 -0.389 3.571 3.960 0.000 0.000 0.254 402 G HA3 -0.389 3.571 3.960 0.000 0.000 0.254 402 G C 0.523 175.243 174.900 -0.300 0.000 0.981 402 G CA 0.621 45.349 45.100 -0.620 0.000 0.670 402 G HN 0.735 nan 8.290 nan 0.000 0.528 403 N N -0.052 118.498 118.700 -0.250 0.000 2.236 403 N HA 0.332 5.072 4.740 0.000 0.000 0.196 403 N C 1.193 176.617 175.510 -0.144 0.000 1.114 403 N CA 0.642 53.594 53.050 -0.164 0.000 0.859 403 N CB 0.423 38.821 38.487 -0.148 0.000 0.982 403 N HN 0.472 nan 8.380 nan 0.000 0.493 404 S N 0.893 116.497 115.700 -0.159 0.000 3.549 404 S HA -0.241 4.229 4.470 0.000 0.000 0.366 404 S C 0.065 174.602 174.600 -0.106 0.000 1.012 404 S CA 0.494 58.622 58.200 -0.120 0.000 1.141 404 S CB -1.168 61.975 63.200 -0.096 0.000 0.910 404 S HN 0.416 nan 8.310 nan 0.000 0.471 405 K N 0.464 120.785 120.400 -0.132 0.000 2.297 405 K HA 0.179 4.499 4.320 0.000 0.000 0.286 405 K C 1.043 177.585 176.600 -0.096 0.000 1.053 405 K CA -0.240 55.970 56.287 -0.128 0.000 0.940 405 K CB 0.636 33.021 32.500 -0.191 0.000 1.019 405 K HN 0.301 nan 8.250 nan 0.000 0.475 406 D N 2.756 123.129 120.400 -0.045 0.000 2.084 406 D HA -0.203 4.437 4.640 0.000 0.000 0.199 406 D C -0.082 176.261 176.300 0.072 0.000 0.981 406 D CA 1.226 55.233 54.000 0.012 0.000 0.841 406 D CB -0.062 40.752 40.800 0.022 0.000 0.997 406 D HN 0.543 nan 8.370 nan 0.000 0.454 407 Y N 1.691 121.936 120.300 -0.091 0.000 2.667 407 Y HA 0.305 4.855 4.550 0.000 0.000 0.340 407 Y C 0.823 176.581 175.900 -0.237 0.000 1.303 407 Y CA -0.592 57.448 58.100 -0.100 0.000 1.769 407 Y CB 0.026 38.450 38.460 -0.060 0.000 1.804 407 Y HN -0.137 nan 8.280 nan 0.000 0.451 408 V N 4.622 124.335 119.914 -0.335 0.000 2.992 408 V HA 0.230 4.350 4.120 0.000 0.000 0.250 408 V C -0.443 174.926 176.094 -1.209 0.000 1.090 408 V CA 1.020 62.880 62.300 -0.734 0.000 1.101 408 V CB -0.052 31.373 31.823 -0.664 0.000 0.743 408 V HN 0.288 nan 8.190 nan 0.000 0.468 409 F N 0.375 119.873 119.950 -0.754 0.000 2.645 409 F HA 0.472 4.999 4.527 0.000 0.000 0.310 409 F C 0.221 175.322 175.800 -1.165 0.000 1.102 409 F CA -0.678 56.652 58.000 -1.116 0.000 0.952 409 F CB 1.589 39.627 39.000 -1.604 0.000 1.326 409 F HN 0.067 nan 8.300 nan 0.000 0.456 410 D N -0.774 119.121 120.400 -0.841 0.000 2.433 410 D HA 0.110 4.750 4.640 0.000 0.000 0.211 410 D C 0.553 176.618 176.300 -0.392 0.000 1.114 410 D CA -0.117 53.471 54.000 -0.688 0.000 0.837 410 D CB -0.245 40.431 40.800 -0.206 0.000 0.984 410 D HN 0.399 nan 8.370 nan 0.000 0.505 411 F N -0.433 119.270 119.950 -0.410 0.000 2.973 411 F HA -0.295 4.232 4.527 0.000 0.000 0.299 411 F C 1.293 176.971 175.800 -0.204 0.000 0.737 411 F CA 0.990 58.780 58.000 -0.349 0.000 1.151 411 F CB -1.907 36.825 39.000 -0.446 0.000 1.440 411 F HN 0.208 nan 8.300 nan 0.000 0.367 412 V N -6.285 113.476 119.914 -0.254 0.000 3.332 412 V HA 0.332 4.452 4.120 0.000 0.000 0.263 412 V C 0.655 176.475 176.094 -0.457 0.000 1.562 412 V CA 0.703 62.670 62.300 -0.554 0.000 1.040 412 V CB 0.990 32.553 31.823 -0.433 0.000 0.857 412 V HN 0.086 nan 8.190 nan 0.000 0.428 413 T N 5.698 120.051 114.554 -0.336 0.000 2.738 413 T HA 0.510 4.860 4.350 0.000 0.000 0.298 413 T C -2.598 171.945 174.700 -0.262 0.000 0.962 413 T CA -0.859 61.122 62.100 -0.198 0.000 0.972 413 T CB 1.604 70.365 68.868 -0.178 0.000 0.928 413 T HN 0.432 nan 8.240 nan 0.000 0.474 414 P HA 0.223 nan 4.420 nan 0.000 0.277 414 P C -0.606 176.685 177.300 -0.016 0.000 1.240 414 P CA -0.620 62.586 63.100 0.176 0.000 0.798 414 P CB 0.735 32.822 31.700 0.645 0.000 0.979 415 Y N 1.759 122.037 120.300 -0.036 0.000 2.385 415 Y HA 0.070 4.620 4.550 0.000 0.000 0.346 415 Y C -0.787 175.058 175.900 -0.092 0.000 1.270 415 Y CA -1.337 56.606 58.100 -0.261 0.000 1.472 415 Y CB -1.108 37.205 38.460 -0.246 0.000 1.354 415 Y HN 0.372 nan 8.280 nan 0.000 0.611 416 P HA -0.130 nan 4.420 nan 0.000 0.220 416 P C 0.325 177.747 177.300 0.203 0.000 1.148 416 P CA 1.808 64.926 63.100 0.030 0.000 0.803 416 P CB 0.177 31.833 31.700 -0.074 0.000 0.782 417 D N -2.232 118.372 120.400 0.341 0.000 2.342 417 D HA -0.002 4.638 4.640 0.000 0.000 0.221 417 D C -0.390 176.145 176.300 0.392 0.000 1.101 417 D CA -0.457 53.774 54.000 0.385 0.000 0.837 417 D CB -0.775 40.315 40.800 0.482 0.000 0.938 417 D HN 0.126 nan 8.370 nan 0.000 0.508 418 F N 1.674 121.790 119.950 0.277 0.000 2.430 418 F HA 0.267 4.794 4.527 0.000 0.000 0.362 418 F C -0.746 175.198 175.800 0.241 0.000 1.103 418 F CA -1.207 56.958 58.000 0.275 0.000 1.045 418 F CB 1.257 40.498 39.000 0.401 0.000 1.276 418 F HN -0.311 nan 8.300 nan 0.000 0.444 419 D N 5.876 126.170 120.400 -0.176 0.000 2.468 419 D HA 0.134 4.774 4.640 0.000 0.000 0.218 419 D C 1.102 177.302 176.300 -0.167 0.000 1.155 419 D CA 0.085 54.045 54.000 -0.066 0.000 0.924 419 D CB 1.199 41.967 40.800 -0.054 0.000 1.029 419 D HN 0.403 nan 8.370 nan 0.000 0.515 420 V N 4.759 124.714 119.914 0.068 0.000 2.287 420 V HA -0.271 3.849 4.120 0.000 0.000 0.248 420 V C 2.413 178.554 176.094 0.078 0.000 1.053 420 V CA 1.694 64.089 62.300 0.159 0.000 1.027 420 V CB -0.309 31.778 31.823 0.440 0.000 0.646 420 V HN 0.536 nan 8.190 nan 0.000 0.447 421 K N -0.243 120.212 120.400 0.092 0.000 2.057 421 K HA -0.212 4.108 4.320 0.000 0.000 0.206 421 K C 2.217 178.835 176.600 0.031 0.000 1.050 421 K CA 1.571 57.904 56.287 0.076 0.000 0.935 421 K CB -0.152 32.389 32.500 0.068 0.000 0.715 421 K HN 0.445 nan 8.250 nan 0.000 0.439 422 E N 1.593 121.792 120.200 -0.002 0.000 2.107 422 E HA -0.095 4.255 4.350 0.000 0.000 0.191 422 E C 1.719 178.313 176.600 -0.010 0.000 0.982 422 E CA 0.965 57.358 56.400 -0.013 0.000 0.809 422 E CB -0.133 29.547 29.700 -0.035 0.000 0.756 422 E HN 0.230 nan 8.360 nan 0.000 0.459 423 I N 0.139 120.662 120.570 -0.079 0.000 2.226 423 I HA -0.270 3.900 4.170 0.000 0.000 0.245 423 I C 2.557 178.699 176.117 0.042 0.000 1.100 423 I CA 1.597 62.851 61.300 -0.076 0.000 1.374 423 I CB -0.476 37.358 38.000 -0.276 0.000 1.057 423 I HN 0.342 nan 8.210 nan 0.000 0.413 424 H N 1.440 120.445 119.070 -0.108 0.000 2.321 424 H HA -0.162 4.394 4.556 0.000 0.000 0.300 424 H C 2.537 177.827 175.328 -0.064 0.000 1.087 424 H CA 1.457 57.427 56.048 -0.131 0.000 1.319 424 H CB 0.187 29.853 29.762 -0.160 0.000 1.379 424 H HN 0.188 nan 8.280 nan 0.000 0.501 425 R N -0.611 119.839 120.500 -0.083 0.000 2.091 425 R HA -0.203 4.137 4.340 0.000 0.000 0.238 425 R C 2.301 178.590 176.300 -0.019 0.000 1.136 425 R CA 1.783 57.808 56.100 -0.125 0.000 0.959 425 R CB -0.499 29.762 30.300 -0.065 0.000 0.856 425 R HN 0.418 nan 8.270 nan 0.000 0.437 426 Y N 0.931 121.193 120.300 -0.063 0.000 2.163 426 Y HA -0.170 4.380 4.550 0.000 0.000 0.288 426 Y C 2.319 178.205 175.900 -0.024 0.000 1.136 426 Y CA 1.322 59.399 58.100 -0.039 0.000 1.147 426 Y CB -0.296 38.146 38.460 -0.030 0.000 0.987 426 Y HN 0.064 nan 8.280 nan 0.000 0.509 427 A N 0.404 123.300 122.820 0.128 0.000 1.883 427 A HA -0.181 4.139 4.320 0.000 0.000 0.217 427 A C 2.423 179.994 177.584 -0.021 0.000 1.186 427 A CA 2.070 54.139 52.037 0.053 0.000 0.624 427 A CB -1.566 17.473 19.000 0.065 0.000 0.822 427 A HN 0.576 nan 8.150 nan 0.000 0.444 428 A N -0.181 122.629 122.820 -0.016 0.000 1.908 428 A HA -0.223 4.097 4.320 0.000 0.000 0.218 428 A C 2.217 179.746 177.584 -0.092 0.000 1.181 428 A CA 1.713 53.721 52.037 -0.049 0.000 0.627 428 A CB -0.552 18.390 19.000 -0.096 0.000 0.818 428 A HN 0.568 nan 8.150 nan 0.000 0.445 429 R N -0.545 119.873 120.500 -0.136 0.000 2.127 429 R HA -0.093 4.247 4.340 0.000 0.000 0.238 429 R C 1.246 177.441 176.300 -0.176 0.000 1.134 429 R CA 1.388 57.388 56.100 -0.168 0.000 0.975 429 R CB -0.153 30.006 30.300 -0.236 0.000 0.865 429 R HN 0.320 nan 8.270 nan 0.000 0.447 430 K N -0.539 119.745 120.400 -0.194 0.000 2.374 430 K HA 0.096 4.417 4.320 0.000 0.000 0.196 430 K C 0.723 177.274 176.600 -0.082 0.000 1.023 430 K CA 0.650 56.841 56.287 -0.160 0.000 1.103 430 K CB 1.104 33.489 32.500 -0.191 0.000 0.848 430 K HN 0.384 nan 8.250 nan 0.000 0.528 431 G N 2.111 110.871 108.800 -0.066 0.000 2.198 431 G HA2 -0.220 3.740 3.960 0.000 0.000 0.260 431 G HA3 -0.220 3.740 3.960 0.000 0.000 0.260 431 G C 0.069 174.961 174.900 -0.013 0.000 1.025 431 G CA -0.017 45.060 45.100 -0.038 0.000 0.769 431 G HN 0.175 nan 8.290 nan 0.000 0.507 432 I N -0.232 120.336 120.570 -0.003 0.000 2.493 432 I HA 0.505 4.676 4.170 0.000 0.000 0.298 432 I C 0.179 176.305 176.117 0.015 0.000 0.998 432 I CA -1.221 60.097 61.300 0.030 0.000 1.137 432 I CB 1.776 39.812 38.000 0.060 0.000 1.310 432 I HN -0.127 nan 8.210 nan 0.000 0.445 433 K N 5.389 125.795 120.400 0.011 0.000 2.164 433 K HA 0.508 4.828 4.320 0.000 0.000 0.258 433 K C -0.471 176.101 176.600 -0.047 0.000 0.951 433 K CA -0.902 55.362 56.287 -0.037 0.000 0.844 433 K CB 1.817 34.298 32.500 -0.032 0.000 1.099 433 K HN 0.390 nan 8.250 nan 0.000 0.435 434 M N 2.656 122.160 119.600 -0.159 0.000 2.211 434 M HA 0.301 4.781 4.480 0.000 0.000 0.356 434 M C 0.272 176.573 176.300 0.001 0.000 1.216 434 M CA -0.259 54.968 55.300 -0.122 0.000 1.134 434 M CB 0.488 32.896 32.600 -0.321 0.000 1.564 434 M HN 0.498 nan 8.290 nan 0.000 0.463 435 M N 4.024 123.671 119.600 0.078 0.000 2.108 435 M HA 0.307 4.787 4.480 0.000 0.000 0.354 435 M C -0.496 175.884 176.300 0.133 0.000 1.229 435 M CA -0.695 54.642 55.300 0.062 0.000 1.081 435 M CB 0.965 33.505 32.600 -0.101 0.000 1.606 435 M HN 0.717 nan 8.290 nan 0.000 0.467 436 M N 5.000 124.652 119.600 0.088 0.000 2.243 436 M HA 0.162 4.642 4.480 0.000 0.000 0.341 436 M C -1.206 175.083 176.300 -0.019 0.000 1.130 436 M CA 0.546 55.747 55.300 -0.165 0.000 1.162 436 M CB 0.299 32.640 32.600 -0.431 0.000 1.497 436 M HN 0.631 nan 8.290 nan 0.000 0.456 437 H N 3.631 122.704 119.070 0.005 0.000 2.505 437 H HA 0.334 4.890 4.556 0.000 0.000 0.338 437 H C -1.144 174.392 175.328 0.346 0.000 1.057 437 H CA -0.535 55.605 56.048 0.155 0.000 1.202 437 H CB 0.552 30.471 29.762 0.261 0.000 1.466 437 H HN 0.859 nan 8.280 nan 0.000 0.499 438 H N 3.858 122.833 119.070 -0.158 0.000 2.340 438 H HA 0.028 4.584 4.556 0.000 0.000 0.233 438 H C -0.455 174.540 175.328 -0.555 0.000 1.435 438 H CA -0.665 55.237 56.048 -0.243 0.000 1.389 438 H CB 0.817 30.454 29.762 -0.208 0.000 1.491 438 H HN 0.581 nan 8.280 nan 0.000 0.518 439 E N 1.606 121.333 120.200 -0.789 0.000 2.366 439 E HA -0.032 4.318 4.350 0.000 0.000 0.266 439 E C 1.102 177.408 176.600 -0.489 0.000 1.015 439 E CA 0.135 56.182 56.400 -0.588 0.000 0.906 439 E CB 0.888 30.265 29.700 -0.538 0.000 0.979 439 E HN 0.587 nan 8.360 nan 0.000 0.443 440 T N 0.806 115.167 114.554 -0.321 0.000 3.044 440 T HA 0.060 4.410 4.350 0.000 0.000 0.250 440 T C 0.926 175.680 174.700 0.090 0.000 1.081 440 T CA 0.279 62.320 62.100 -0.099 0.000 1.040 440 T CB -0.168 68.487 68.868 -0.356 0.000 0.962 440 T HN 0.463 nan 8.240 nan 0.000 0.506 441 S N 0.559 116.331 115.700 0.120 0.000 3.587 441 S HA -0.218 4.253 4.470 0.000 0.000 0.337 441 S C 1.141 175.789 174.600 0.080 0.000 1.119 441 S CA 0.994 59.280 58.200 0.143 0.000 0.976 441 S CB -2.039 61.204 63.200 0.071 0.000 0.922 441 S HN 2.174 nan 8.310 nan 0.000 0.503 442 A N -0.959 121.943 122.820 0.137 0.000 2.829 442 A HA -0.206 4.115 4.320 0.000 0.000 0.267 442 A C 0.769 178.410 177.584 0.095 0.000 1.370 442 A CA 1.614 53.758 52.037 0.178 0.000 0.900 442 A CB -2.361 16.721 19.000 0.136 0.000 1.044 442 A HN 1.915 nan 8.150 nan 0.000 0.691 443 S N -0.349 115.404 115.700 0.088 0.000 2.592 443 S HA 0.484 4.954 4.470 0.000 0.000 0.305 443 S C 1.144 175.823 174.600 0.132 0.000 1.118 443 S CA 0.043 58.290 58.200 0.080 0.000 1.075 443 S CB 0.359 63.595 63.200 0.060 0.000 1.107 443 S HN 0.810 nan 8.310 nan 0.000 0.503 444 V N 6.156 126.119 119.914 0.081 0.000 2.599 444 V HA 0.049 4.169 4.120 0.000 0.000 0.245 444 V C 2.564 178.691 176.094 0.055 0.000 1.046 444 V CA 1.177 63.491 62.300 0.024 0.000 1.065 444 V CB -0.586 31.143 31.823 -0.157 0.000 0.703 444 V HN 0.772 nan 8.190 nan 0.000 0.464 445 R N 1.112 121.655 120.500 0.071 0.000 2.091 445 R HA -0.246 4.095 4.340 0.000 0.000 0.238 445 R C 2.161 178.539 176.300 0.131 0.000 1.136 445 R CA 2.324 58.472 56.100 0.079 0.000 0.959 445 R CB -0.405 29.931 30.300 0.060 0.000 0.856 445 R HN 0.590 nan 8.270 nan 0.000 0.437 446 N N -0.445 118.368 118.700 0.188 0.000 2.104 446 N HA -0.254 4.486 4.740 0.000 0.000 0.190 446 N C 1.668 177.474 175.510 0.493 0.000 1.024 446 N CA 1.579 54.825 53.050 0.327 0.000 0.853 446 N CB -0.360 38.318 38.487 0.318 0.000 1.008 446 N HN 0.301 nan 8.380 nan 0.000 0.424 447 Y N 1.506 121.933 120.300 0.211 0.000 2.163 447 Y HA -0.020 4.531 4.550 0.000 0.000 0.288 447 Y C 1.905 177.798 175.900 -0.011 0.000 1.136 447 Y CA 1.558 59.656 58.100 -0.002 0.000 1.147 447 Y CB -0.566 37.842 38.460 -0.087 0.000 0.987 447 Y HN 0.228 nan 8.280 nan 0.000 0.509 448 E N -0.238 120.003 120.200 0.069 0.000 2.085 448 E HA -0.255 4.095 4.350 0.000 0.000 0.194 448 E C 2.295 178.871 176.600 -0.039 0.000 0.994 448 E CA 1.376 57.771 56.400 -0.009 0.000 0.801 448 E CB -0.212 29.532 29.700 0.072 0.000 0.743 448 E HN 0.469 nan 8.360 nan 0.000 0.453 449 R N -0.193 120.310 120.500 0.005 0.000 2.120 449 R HA -0.105 4.235 4.340 0.000 0.000 0.234 449 R C 1.591 177.786 176.300 -0.175 0.000 1.123 449 R CA 1.128 57.174 56.100 -0.089 0.000 0.975 449 R CB -0.150 30.073 30.300 -0.127 0.000 0.866 449 R HN 0.300 nan 8.270 nan 0.000 0.446 450 H N -0.889 118.164 119.070 -0.027 0.000 2.539 450 H HA 0.142 4.698 4.556 0.000 0.000 0.269 450 H C 1.617 176.813 175.328 -0.220 0.000 0.980 450 H CA 0.185 56.219 56.048 -0.024 0.000 1.152 450 H CB 0.339 30.224 29.762 0.205 0.000 1.407 450 H HN 0.072 nan 8.280 nan 0.000 0.564 451 M N 0.293 119.709 119.600 -0.307 0.000 2.099 451 M HA -0.169 4.312 4.480 0.000 0.000 0.262 451 M C 1.105 177.059 176.300 -0.576 0.000 1.067 451 M CA 1.659 56.545 55.300 -0.689 0.000 1.124 451 M CB 0.258 32.349 32.600 -0.847 0.000 1.353 451 M HN 0.210 nan 8.290 nan 0.000 0.410 452 D N 0.572 120.808 120.400 -0.274 0.000 2.104 452 D HA -0.172 4.468 4.640 0.000 0.000 0.194 452 D C 1.878 178.160 176.300 -0.030 0.000 0.994 452 D CA 1.453 55.402 54.000 -0.086 0.000 0.830 452 D CB -0.342 40.492 40.800 0.055 0.000 0.959 452 D HN 0.406 nan 8.370 nan 0.000 0.452 453 K N 0.635 121.035 120.400 0.001 0.000 2.097 453 K HA -0.055 4.265 4.320 0.000 0.000 0.206 453 K C 2.136 178.811 176.600 0.125 0.000 1.049 453 K CA 1.135 57.477 56.287 0.091 0.000 0.933 453 K CB -0.058 32.507 32.500 0.108 0.000 0.717 453 K HN 0.032 nan 8.250 nan 0.000 0.442 454 A N 0.564 123.401 122.820 0.028 0.000 1.898 454 A HA -0.155 4.165 4.320 0.000 0.000 0.216 454 A C 1.812 179.540 177.584 0.240 0.000 1.181 454 A CA 1.219 53.317 52.037 0.103 0.000 0.620 454 A CB -0.618 18.284 19.000 -0.163 0.000 0.819 454 A HN 0.219 nan 8.150 nan 0.000 0.442 455 Y N -0.406 119.811 120.300 -0.139 0.000 2.242 455 Y HA -0.129 4.421 4.550 0.000 0.000 0.291 455 Y C 2.593 178.318 175.900 -0.291 0.000 1.137 455 Y CA 1.313 59.168 58.100 -0.409 0.000 1.181 455 Y CB -0.948 36.825 38.460 -1.145 0.000 0.989 455 Y HN 0.452 nan 8.280 nan 0.000 0.527 456 Q N -0.265 119.566 119.800 0.051 0.000 2.119 456 Q HA -0.185 4.155 4.340 0.000 0.000 0.201 456 Q C 2.156 178.296 176.000 0.233 0.000 0.972 456 Q CA 1.487 57.433 55.803 0.238 0.000 0.847 456 Q CB -0.831 28.068 28.738 0.268 0.000 0.903 456 Q HN 0.404 nan 8.270 nan 0.000 0.433 457 F N -0.238 119.784 119.950 0.121 0.000 2.171 457 F HA -0.145 4.382 4.527 0.000 0.000 0.300 457 F C 1.826 177.694 175.800 0.114 0.000 1.090 457 F CA 1.428 59.506 58.000 0.131 0.000 1.293 457 F CB -0.098 38.994 39.000 0.154 0.000 1.013 457 F HN 0.103 nan 8.300 nan 0.000 0.486 458 M N -0.111 119.610 119.600 0.203 0.000 2.080 458 M HA -0.218 4.262 4.480 0.000 0.000 0.260 458 M C 2.493 178.834 176.300 0.069 0.000 1.068 458 M CA 1.913 57.271 55.300 0.097 0.000 1.109 458 M CB -0.764 31.882 32.600 0.077 0.000 1.342 458 M HN 0.290 nan 8.290 nan 0.000 0.405 459 A N 0.157 123.020 122.820 0.070 0.000 1.902 459 A HA -0.180 4.140 4.320 0.000 0.000 0.217 459 A C 1.675 179.269 177.584 0.016 0.000 1.181 459 A CA 1.964 54.036 52.037 0.059 0.000 0.623 459 A CB -0.732 18.352 19.000 0.141 0.000 0.818 459 A HN 0.403 nan 8.150 nan 0.000 0.443 460 D N 0.035 120.435 120.400 0.001 0.000 2.264 460 D HA -0.058 4.582 4.640 0.000 0.000 0.208 460 D C 0.703 176.954 176.300 -0.082 0.000 0.966 460 D CA 0.784 54.769 54.000 -0.026 0.000 0.864 460 D CB -0.176 40.613 40.800 -0.019 0.000 0.933 460 D HN 0.447 nan 8.370 nan 0.000 0.499 461 N N -0.609 117.977 118.700 -0.189 0.000 2.235 461 N HA 0.166 4.907 4.740 0.000 0.000 0.231 461 N C 0.763 175.815 175.510 -0.764 0.000 1.177 461 N CA 0.307 53.175 53.050 -0.303 0.000 0.874 461 N CB 1.699 39.976 38.487 -0.351 0.000 1.097 461 N HN 0.084 nan 8.380 nan 0.000 0.518 462 G N 0.983 109.510 108.800 -0.454 0.000 2.147 462 G HA2 -0.297 3.663 3.960 0.000 0.000 0.244 462 G HA3 -0.297 3.663 3.960 0.000 0.000 0.244 462 G C -0.533 174.117 174.900 -0.417 0.000 1.005 462 G CA -0.006 44.793 45.100 -0.501 0.000 0.713 462 G HN 0.382 nan 8.290 nan 0.000 0.515 463 Y N 0.462 120.598 120.300 -0.273 0.000 2.326 463 Y HA 0.455 5.005 4.550 0.000 0.000 0.337 463 Y C 1.120 176.944 175.900 -0.127 0.000 1.023 463 Y CA -0.344 57.645 58.100 -0.184 0.000 1.143 463 Y CB 1.364 39.721 38.460 -0.170 0.000 1.183 463 Y HN 0.260 nan 8.280 nan 0.000 0.485 464 N N -0.568 118.156 118.700 0.041 0.000 2.170 464 N HA 0.105 4.845 4.740 0.000 0.000 0.222 464 N C -0.926 174.596 175.510 0.020 0.000 1.218 464 N CA -0.190 52.870 53.050 0.016 0.000 0.889 464 N CB 0.555 39.055 38.487 0.021 0.000 1.083 464 N HN 0.322 nan 8.380 nan 0.000 0.520 465 S N -1.239 114.467 115.700 0.009 0.000 2.564 465 S HA 0.728 5.198 4.470 0.000 0.000 0.274 465 S C -1.226 173.342 174.600 -0.053 0.000 1.124 465 S CA -0.781 57.405 58.200 -0.024 0.000 0.869 465 S CB 2.077 65.245 63.200 -0.053 0.000 1.105 465 S HN 0.190 nan 8.310 nan 0.000 0.472 466 V N 1.432 121.303 119.914 -0.071 0.000 2.841 466 V HA 0.703 4.823 4.120 0.000 0.000 0.310 466 V C -1.251 174.822 176.094 -0.035 0.000 1.090 466 V CA -0.746 61.490 62.300 -0.106 0.000 0.930 466 V CB 1.936 33.634 31.823 -0.208 0.000 1.014 466 V HN 1.130 nan 8.190 nan 0.000 0.425 467 K N 4.433 124.829 120.400 -0.008 0.000 2.263 467 K HA 0.648 4.968 4.320 0.000 0.000 0.272 467 K C -0.020 176.663 176.600 0.139 0.000 1.033 467 K CA -0.181 56.147 56.287 0.068 0.000 0.884 467 K CB 1.188 33.701 32.500 0.022 0.000 1.107 467 K HN 0.942 nan 8.250 nan 0.000 0.460 468 S N 2.118 117.912 115.700 0.157 0.000 2.745 468 S HA 0.858 5.328 4.470 0.000 0.000 0.292 468 S C 0.087 174.752 174.600 0.109 0.000 1.133 468 S CA -0.716 57.535 58.200 0.086 0.000 0.998 468 S CB 1.764 65.071 63.200 0.179 0.000 1.087 468 S HN 0.704 nan 8.310 nan 0.000 0.551 469 G N -0.841 107.880 108.800 -0.133 0.000 2.720 469 G HA2 0.579 4.539 3.960 0.000 0.000 0.295 469 G HA3 0.579 4.539 3.960 0.000 0.000 0.295 469 G C -2.025 172.726 174.900 -0.248 0.000 1.437 469 G CA -0.709 44.428 45.100 0.061 0.000 0.886 469 G HN 0.648 nan 8.290 nan 0.000 0.509 470 Y N 0.961 121.471 120.300 0.350 0.000 2.501 470 Y HA 0.350 4.900 4.550 0.000 0.000 0.331 470 Y C 0.320 176.469 175.900 0.415 0.000 0.950 470 Y CA -0.661 57.660 58.100 0.367 0.000 1.120 470 Y CB 1.412 40.160 38.460 0.479 0.000 1.154 470 Y HN 0.331 nan 8.280 nan 0.000 0.630 471 V N 1.849 122.011 119.914 0.414 0.000 2.455 471 V HA 0.739 4.859 4.120 0.000 0.000 0.273 471 V C 0.681 176.862 176.094 0.145 0.000 1.045 471 V CA 0.461 62.967 62.300 0.342 0.000 0.976 471 V CB 0.490 32.590 31.823 0.461 0.000 0.993 471 V HN 0.774 nan 8.190 nan 0.000 0.475 472 G N 4.539 113.402 108.800 0.105 0.000 2.381 472 G HA2 -0.111 3.849 3.960 0.000 0.000 0.672 472 G HA3 -0.111 3.849 3.960 0.000 0.000 0.672 472 G C -0.850 174.129 174.900 0.130 0.000 1.324 472 G CA -0.935 44.143 45.100 -0.037 0.000 0.975 472 G HN 0.700 nan 8.290 nan 0.000 0.593 473 N N 0.058 118.778 118.700 0.033 0.000 2.518 473 N HA 0.387 5.127 4.740 0.000 0.000 0.266 473 N C 0.933 176.427 175.510 -0.027 0.000 1.196 473 N CA -0.647 52.437 53.050 0.057 0.000 0.947 473 N CB 0.713 39.205 38.487 0.008 0.000 1.098 473 N HN 0.461 nan 8.380 nan 0.000 0.450 474 I N 2.579 123.084 120.570 -0.108 0.000 2.815 474 I HA -0.040 4.130 4.170 0.000 0.000 0.291 474 I C 0.383 176.444 176.117 -0.093 0.000 1.209 474 I CA 0.533 61.742 61.300 -0.151 0.000 1.431 474 I CB -0.264 37.605 38.000 -0.219 0.000 1.351 474 I HN 0.453 nan 8.210 nan 0.000 0.585 475 I N 7.684 128.219 120.570 -0.058 0.000 2.382 475 I HA 0.264 4.435 4.170 0.000 0.000 0.286 475 I C -2.246 173.860 176.117 -0.017 0.000 1.002 475 I CA -1.955 59.318 61.300 -0.046 0.000 1.135 475 I CB 1.887 39.871 38.000 -0.027 0.000 1.288 475 I HN 0.296 nan 8.210 nan 0.000 0.448 476 P HA 0.158 nan 4.420 nan 0.000 0.271 476 P C -0.818 176.403 177.300 -0.133 0.000 1.216 476 P CA -0.288 62.759 63.100 -0.089 0.000 0.771 476 P CB 0.536 32.149 31.700 -0.146 0.000 0.864 477 R N 1.860 122.286 120.500 -0.123 0.000 2.442 477 R HA 0.433 4.773 4.340 0.000 0.000 0.291 477 R C 1.360 177.564 176.300 -0.160 0.000 1.069 477 R CA 0.485 56.510 56.100 -0.126 0.000 1.022 477 R CB -0.093 30.150 30.300 -0.095 0.000 0.976 477 R HN 0.837 nan 8.270 nan 0.000 0.443 478 G N 1.315 110.004 108.800 -0.185 0.000 2.278 478 G HA2 -0.189 3.771 3.960 0.000 0.000 0.210 478 G HA3 -0.189 3.771 3.960 0.000 0.000 0.210 478 G C 0.032 174.724 174.900 -0.346 0.000 1.000 478 G CA -0.543 44.424 45.100 -0.222 0.000 0.635 478 G HN 0.491 nan 8.290 nan 0.000 0.495 479 E N 1.204 121.212 120.200 -0.320 0.000 2.349 479 E HA 0.500 4.850 4.350 0.000 0.000 0.262 479 E C -0.063 176.309 176.600 -0.381 0.000 1.088 479 E CA -0.298 55.914 56.400 -0.314 0.000 0.899 479 E CB 0.582 30.171 29.700 -0.184 0.000 1.044 479 E HN 0.525 nan 8.360 nan 0.000 0.420 480 H N 0.638 119.716 119.070 0.013 0.000 2.544 480 H HA 0.213 4.769 4.556 0.000 0.000 0.342 480 H C 1.236 176.587 175.328 0.038 0.000 1.185 480 H CA -0.465 55.621 56.048 0.063 0.000 1.264 480 H CB 0.921 30.755 29.762 0.120 0.000 1.607 480 H HN 0.573 nan 8.280 nan 0.000 0.550 481 H N 0.834 119.921 119.070 0.029 0.000 2.456 481 H HA -0.118 4.438 4.556 0.000 0.000 0.296 481 H C 0.258 175.732 175.328 0.243 0.000 1.079 481 H CA 1.382 57.433 56.048 0.006 0.000 1.322 481 H CB 0.503 30.116 29.762 -0.248 0.000 1.388 481 H HN 0.478 nan 8.280 nan 0.000 0.538 482 Y N -0.188 120.411 120.300 0.498 0.000 2.584 482 Y HA 0.318 4.868 4.550 0.000 0.000 0.254 482 Y C 1.483 177.562 175.900 0.298 0.000 1.177 482 Y CA -0.642 57.709 58.100 0.418 0.000 1.216 482 Y CB -0.090 38.630 38.460 0.433 0.000 1.172 482 Y HN -0.019 nan 8.280 nan 0.000 0.529 483 G N 0.107 109.115 108.800 0.346 0.000 2.634 483 G HA2 0.016 3.976 3.960 0.000 0.000 0.255 483 G HA3 0.016 3.976 3.960 0.000 0.000 0.255 483 G C 0.920 175.945 174.900 0.207 0.000 1.205 483 G CA -0.288 44.944 45.100 0.221 0.000 0.884 483 G HN 0.327 nan 8.290 nan 0.000 0.549 484 Q N -0.736 119.154 119.800 0.149 0.000 2.135 484 Q HA -0.156 4.184 4.340 0.000 0.000 0.204 484 Q C 1.968 178.063 176.000 0.157 0.000 0.981 484 Q CA 1.516 57.401 55.803 0.136 0.000 0.856 484 Q CB -0.137 28.654 28.738 0.087 0.000 0.902 484 Q HN 0.821 nan 8.270 nan 0.000 0.425 485 W N 0.100 121.385 121.300 -0.024 0.000 2.354 485 W HA -0.208 4.452 4.660 0.000 0.000 0.315 485 W C 1.630 178.094 176.519 -0.091 0.000 1.206 485 W CA 0.907 58.211 57.345 -0.069 0.000 1.290 485 W CB -0.058 29.344 29.460 -0.096 0.000 1.152 485 W HN 0.262 nan 8.180 nan 0.000 0.489 486 M N 0.938 120.582 119.600 0.073 0.000 2.254 486 M HA -0.162 4.318 4.480 0.000 0.000 0.265 486 M C 1.495 177.578 176.300 -0.362 0.000 1.066 486 M CA 1.200 56.357 55.300 -0.239 0.000 1.123 486 M CB -1.766 30.728 32.600 -0.178 0.000 1.388 486 M HN -0.008 nan 8.290 nan 0.000 0.425 487 N N 0.864 119.572 118.700 0.013 0.000 2.166 487 N HA -0.164 4.576 4.740 0.000 0.000 0.186 487 N C 1.464 177.002 175.510 0.045 0.000 1.019 487 N CA 0.993 54.146 53.050 0.171 0.000 0.856 487 N CB -0.714 37.908 38.487 0.226 0.000 0.993 487 N HN 0.434 nan 8.380 nan 0.000 0.426 488 N N 1.019 119.679 118.700 -0.066 0.000 2.084 488 N HA -0.213 4.527 4.740 0.000 0.000 0.190 488 N C 1.686 177.101 175.510 -0.158 0.000 1.030 488 N CA 1.107 54.079 53.050 -0.129 0.000 0.849 488 N CB -0.400 37.934 38.487 -0.255 0.000 1.012 488 N HN 0.448 nan 8.380 nan 0.000 0.423 489 H N -0.471 118.387 119.070 -0.354 0.000 2.319 489 H HA -0.173 4.383 4.556 0.000 0.000 0.299 489 H C 1.432 176.732 175.328 -0.046 0.000 1.092 489 H CA 1.927 57.814 56.048 -0.268 0.000 1.302 489 H CB -0.211 29.305 29.762 -0.409 0.000 1.373 489 H HN 0.274 nan 8.280 nan 0.000 0.497 490 Y N 0.144 120.406 120.300 -0.063 0.000 2.224 490 Y HA -0.147 4.403 4.550 0.000 0.000 0.289 490 Y C 2.724 178.593 175.900 -0.053 0.000 1.146 490 Y CA 0.841 58.911 58.100 -0.050 0.000 1.182 490 Y CB -0.658 37.843 38.460 0.069 0.000 0.983 490 Y HN 0.191 nan 8.280 nan 0.000 0.524 491 L N -1.123 120.165 121.223 0.108 0.000 2.156 491 L HA -0.161 4.179 4.340 0.000 0.000 0.208 491 L C 2.235 179.076 176.870 -0.048 0.000 1.095 491 L CA 1.420 56.273 54.840 0.022 0.000 0.770 491 L CB -1.069 41.009 42.059 0.031 0.000 0.914 491 L HN 0.295 nan 8.230 nan 0.000 0.439 492 Y N 0.339 120.533 120.300 -0.177 0.000 2.165 492 Y HA -0.257 4.293 4.550 0.000 0.000 0.286 492 Y C 2.351 178.164 175.900 -0.146 0.000 1.155 492 Y CA 1.813 59.805 58.100 -0.180 0.000 1.164 492 Y CB -0.584 37.745 38.460 -0.218 0.000 0.978 492 Y HN 0.226 nan 8.280 nan 0.000 0.513 493 A N -0.720 121.969 122.820 -0.219 0.000 1.933 493 A HA -0.141 4.179 4.320 0.000 0.000 0.218 493 A C 2.349 179.936 177.584 0.004 0.000 1.175 493 A CA 2.016 53.958 52.037 -0.158 0.000 0.628 493 A CB -1.259 17.731 19.000 -0.016 0.000 0.814 493 A HN 0.355 nan 8.150 nan 0.000 0.444 494 V N -0.024 119.881 119.914 -0.016 0.000 2.379 494 V HA -0.209 3.911 4.120 0.000 0.000 0.245 494 V C 2.410 178.449 176.094 -0.091 0.000 1.044 494 V CA 2.186 64.484 62.300 -0.004 0.000 1.036 494 V CB -0.563 31.258 31.823 -0.004 0.000 0.664 494 V HN 0.534 nan 8.190 nan 0.000 0.453 495 K N 0.111 120.373 120.400 -0.230 0.000 2.097 495 K HA -0.197 4.123 4.320 0.000 0.000 0.205 495 K C 2.256 178.806 176.600 -0.083 0.000 1.050 495 K CA 1.365 57.514 56.287 -0.230 0.000 0.938 495 K CB -0.168 32.168 32.500 -0.274 0.000 0.718 495 K HN 0.326 nan 8.250 nan 0.000 0.442 496 K N 1.040 121.360 120.400 -0.134 0.000 2.057 496 K HA -0.088 4.232 4.320 0.000 0.000 0.206 496 K C 2.158 178.849 176.600 0.152 0.000 1.050 496 K CA 1.079 57.362 56.287 -0.007 0.000 0.935 496 K CB -0.077 32.330 32.500 -0.154 0.000 0.715 496 K HN 0.095 nan 8.250 nan 0.000 0.439 497 A N 1.227 124.060 122.820 0.022 0.000 1.940 497 A HA -0.160 4.160 4.320 0.000 0.000 0.219 497 A C 2.312 179.862 177.584 -0.058 0.000 1.176 497 A CA 1.991 53.846 52.037 -0.303 0.000 0.631 497 A CB -0.793 18.012 19.000 -0.325 0.000 0.814 497 A HN 0.493 nan 8.150 nan 0.000 0.446 498 A N -0.060 122.816 122.820 0.093 0.000 1.933 498 A HA -0.179 4.141 4.320 0.000 0.000 0.218 498 A C 1.709 179.316 177.584 0.039 0.000 1.175 498 A CA 1.809 53.986 52.037 0.234 0.000 0.628 498 A CB -0.559 18.658 19.000 0.362 0.000 0.814 498 A HN 0.468 nan 8.150 nan 0.000 0.444 499 D N -1.353 119.062 120.400 0.025 0.000 2.218 499 D HA -0.136 4.504 4.640 0.000 0.000 0.204 499 D C 0.946 177.097 176.300 -0.248 0.000 0.976 499 D CA 1.212 55.158 54.000 -0.091 0.000 0.853 499 D CB -0.296 40.447 40.800 -0.095 0.000 0.939 499 D HN 0.686 nan 8.370 nan 0.000 0.481 500 Y N 0.227 120.385 120.300 -0.237 0.000 2.466 500 Y HA 0.135 4.685 4.550 0.000 0.000 0.272 500 Y C 0.400 176.021 175.900 -0.466 0.000 1.169 500 Y CA -0.126 57.806 58.100 -0.280 0.000 1.285 500 Y CB 0.146 38.457 38.460 -0.248 0.000 1.078 500 Y HN -0.248 nan 8.280 nan 0.000 0.523 501 K N 0.743 120.754 120.400 -0.648 0.000 3.148 501 K HA -0.214 4.106 4.320 0.000 0.000 0.267 501 K C -0.818 175.298 176.600 -0.806 0.000 0.996 501 K CA 0.493 55.864 56.287 -1.527 0.000 0.737 501 K CB -1.866 29.780 32.500 -1.423 0.000 1.308 501 K HN 0.352 nan 8.250 nan 0.000 0.470 502 I N 0.926 121.286 120.570 -0.350 0.000 2.441 502 I HA 0.311 4.481 4.170 0.000 0.000 0.295 502 I C 0.507 176.731 176.117 0.177 0.000 0.994 502 I CA -0.860 60.386 61.300 -0.090 0.000 1.144 502 I CB 1.548 39.346 38.000 -0.336 0.000 1.314 502 I HN 0.046 nan 8.210 nan 0.000 0.445 503 M N 5.478 125.198 119.600 0.199 0.000 2.277 503 M HA 0.495 4.975 4.480 0.000 0.000 0.350 503 M C -0.914 175.429 176.300 0.071 0.000 1.180 503 M CA -0.698 54.709 55.300 0.178 0.000 1.103 503 M CB 1.880 34.554 32.600 0.124 0.000 1.577 503 M HN 0.221 nan 8.290 nan 0.000 0.459 504 V N 2.410 122.380 119.914 0.094 0.000 2.604 504 V HA 0.437 4.557 4.120 0.000 0.000 0.305 504 V C -0.788 175.370 176.094 0.106 0.000 1.043 504 V CA -0.800 61.563 62.300 0.104 0.000 0.888 504 V CB 2.047 33.964 31.823 0.156 0.000 0.995 504 V HN 0.862 nan 8.190 nan 0.000 0.429 505 N N 3.192 121.959 118.700 0.110 0.000 2.531 505 N HA 0.639 5.379 4.740 0.000 0.000 0.268 505 N C -0.754 174.904 175.510 0.246 0.000 1.023 505 N CA -0.192 52.942 53.050 0.140 0.000 0.896 505 N CB 1.801 40.337 38.487 0.081 0.000 1.233 505 N HN 0.881 nan 8.380 nan 0.000 0.512 506 A N 3.090 126.079 122.820 0.281 0.000 2.256 506 A HA 0.457 4.777 4.320 0.000 0.000 0.317 506 A C -0.733 177.098 177.584 0.413 0.000 1.318 506 A CA -0.490 51.773 52.037 0.377 0.000 0.894 506 A CB -0.027 19.199 19.000 0.376 0.000 1.165 506 A HN 0.813 nan 8.150 nan 0.000 0.525 507 H N 1.144 120.389 119.070 0.290 0.000 2.615 507 H HA 0.358 4.915 4.556 0.000 0.000 0.363 507 H C 0.460 176.025 175.328 0.395 0.000 1.148 507 H CA 0.992 57.221 56.048 0.302 0.000 1.401 507 H CB 0.749 30.698 29.762 0.311 0.000 1.461 507 H HN 0.926 nan 8.280 nan 0.000 0.588 508 E N -1.738 118.700 120.200 0.397 0.000 3.799 508 E HA -0.243 4.107 4.350 0.000 0.000 0.320 508 E C -0.058 176.741 176.600 0.331 0.000 0.760 508 E CA 1.013 57.645 56.400 0.387 0.000 1.153 508 E CB -1.402 28.597 29.700 0.499 0.000 1.589 508 E HN 0.678 nan 8.360 nan 0.000 0.448 509 A N 0.231 123.103 122.820 0.087 0.000 2.296 509 A HA 0.511 4.832 4.320 0.000 0.000 0.264 509 A C 0.627 178.124 177.584 -0.144 0.000 1.097 509 A CA 0.294 52.019 52.037 -0.520 0.000 0.811 509 A CB 0.412 18.916 19.000 -0.826 0.000 1.072 509 A HN 0.082 nan 8.150 nan 0.000 0.495 510 T N 1.590 116.044 114.554 -0.167 0.000 2.923 510 T HA 0.252 4.602 4.350 0.000 0.000 0.304 510 T C 0.629 175.278 174.700 -0.085 0.000 1.044 510 T CA 0.477 62.564 62.100 -0.021 0.000 1.141 510 T CB -0.178 68.813 68.868 0.205 0.000 1.023 510 T HN 0.747 nan 8.240 nan 0.000 0.533 511 R N 4.247 124.667 120.500 -0.134 0.000 2.679 511 R HA 0.313 4.654 4.340 0.000 0.000 0.268 511 R C -2.579 173.758 176.300 0.061 0.000 1.044 511 R CA -1.274 54.817 56.100 -0.014 0.000 1.105 511 R CB -0.739 29.561 30.300 0.000 0.000 0.989 511 R HN 0.286 nan 8.270 nan 0.000 0.447 512 P HA 0.122 nan 4.420 nan 0.000 0.276 512 P C -0.493 176.895 177.300 0.147 0.000 1.244 512 P CA -0.460 62.716 63.100 0.125 0.000 0.801 512 P CB 1.259 33.046 31.700 0.145 0.000 1.006 513 T N -3.795 110.814 114.554 0.092 0.000 3.399 513 T HA 0.467 4.818 4.350 0.000 0.000 0.305 513 T C 0.893 175.601 174.700 0.013 0.000 0.983 513 T CA 0.191 62.291 62.100 0.000 0.000 0.967 513 T CB -0.674 68.145 68.868 -0.081 0.000 1.186 513 T HN 0.683 nan 8.240 nan 0.000 0.504 514 G N 1.578 110.419 108.800 0.069 0.000 2.159 514 G HA2 -0.227 3.733 3.960 0.000 0.000 0.227 514 G HA3 -0.227 3.733 3.960 0.000 0.000 0.227 514 G C 0.683 175.612 174.900 0.048 0.000 0.986 514 G CA 0.081 45.213 45.100 0.052 0.000 0.651 514 G HN 0.578 nan 8.290 nan 0.000 0.523 515 I N 1.403 122.026 120.570 0.089 0.000 2.756 515 I HA -0.158 4.013 4.170 0.000 0.000 0.262 515 I C 3.075 179.271 176.117 0.132 0.000 1.225 515 I CA 1.247 62.617 61.300 0.116 0.000 1.472 515 I CB -0.519 37.586 38.000 0.175 0.000 1.094 515 I HN 0.612 nan 8.210 nan 0.000 0.454 516 C N 0.372 119.755 119.300 0.137 0.000 2.403 516 C HA -0.174 4.287 4.460 0.000 0.000 0.282 516 C C 2.871 177.829 174.990 -0.055 0.000 1.297 516 C CA 0.598 59.690 59.018 0.124 0.000 1.785 516 C CB -1.551 26.305 27.740 0.192 0.000 1.963 516 C HN 0.529 nan 8.230 nan 0.000 0.507 517 R N 1.478 121.927 120.500 -0.086 0.000 2.083 517 R HA -0.139 4.201 4.340 0.000 0.000 0.237 517 R C 2.149 178.311 176.300 -0.230 0.000 1.137 517 R CA 2.391 58.388 56.100 -0.171 0.000 0.951 517 R CB -0.621 29.532 30.300 -0.244 0.000 0.851 517 R HN 0.640 nan 8.270 nan 0.000 0.434 518 T N -0.863 113.561 114.554 -0.217 0.000 2.857 518 T HA -0.081 4.269 4.350 0.000 0.000 0.266 518 T C -0.110 174.220 174.700 -0.616 0.000 1.048 518 T CA 1.095 62.958 62.100 -0.395 0.000 1.139 518 T CB -0.056 68.610 68.868 -0.336 0.000 0.874 518 T HN 0.213 nan 8.240 nan 0.000 0.455 519 Y N 0.762 121.065 120.300 0.005 0.000 2.749 519 Y HA 0.352 4.902 4.550 0.000 0.000 0.343 519 Y C -2.269 173.671 175.900 0.067 0.000 1.015 519 Y CA -2.941 55.187 58.100 0.048 0.000 1.270 519 Y CB 1.518 40.031 38.460 0.089 0.000 1.097 519 Y HN 0.028 nan 8.280 nan 0.000 0.571 520 P HA -0.086 nan 4.420 nan 0.000 0.242 520 P C 0.855 178.346 177.300 0.318 0.000 1.197 520 P CA 0.999 64.161 63.100 0.104 0.000 0.765 520 P CB 0.275 31.909 31.700 -0.110 0.000 0.936 521 N N -0.102 118.720 118.700 0.203 0.000 2.467 521 N HA -0.064 4.676 4.740 0.000 0.000 0.184 521 N C 0.477 176.135 175.510 0.248 0.000 1.106 521 N CA 0.133 53.299 53.050 0.193 0.000 0.892 521 N CB -0.643 38.020 38.487 0.294 0.000 0.969 521 N HN 0.128 nan 8.380 nan 0.000 0.454 522 L N 2.353 123.759 121.223 0.306 0.000 2.404 522 L HA 0.231 4.571 4.340 0.000 0.000 0.277 522 L C 1.062 178.120 176.870 0.313 0.000 1.184 522 L CA -0.251 54.755 54.840 0.276 0.000 1.013 522 L CB -0.296 41.929 42.059 0.277 0.000 1.318 522 L HN 0.214 nan 8.230 nan 0.000 0.435 523 I N 0.409 121.046 120.570 0.112 0.000 3.793 523 I HA 0.538 4.708 4.170 0.000 0.000 0.315 523 I C 0.753 176.765 176.117 -0.174 0.000 1.275 523 I CA 0.127 61.312 61.300 -0.191 0.000 1.214 523 I CB -0.261 37.519 38.000 -0.366 0.000 1.018 523 I HN 0.549 nan 8.210 nan 0.000 0.439 524 G N 0.531 109.336 108.800 0.009 0.000 2.601 524 G HA2 0.439 4.399 3.960 0.000 0.000 0.291 524 G HA3 0.439 4.399 3.960 0.000 0.000 0.291 524 G C -1.984 172.977 174.900 0.100 0.000 1.456 524 G CA -0.671 44.448 45.100 0.031 0.000 0.804 524 G HN 0.096 nan 8.290 nan 0.000 0.499 525 N N -0.826 117.925 118.700 0.084 0.000 2.647 525 N HA 0.300 5.040 4.740 0.000 0.000 0.266 525 N C 0.353 175.845 175.510 -0.030 0.000 1.373 525 N CA -0.628 52.467 53.050 0.075 0.000 0.807 525 N CB 3.101 41.628 38.487 0.067 0.000 1.513 525 N HN 0.682 nan 8.380 nan 0.000 0.505 526 E N 0.505 120.590 120.200 -0.192 0.000 2.041 526 E HA 0.107 4.457 4.350 0.000 0.000 0.202 526 E C -0.370 176.209 176.600 -0.036 0.000 0.945 526 E CA 0.623 56.849 56.400 -0.291 0.000 0.878 526 E CB 0.027 29.298 29.700 -0.714 0.000 0.886 526 E HN 0.533 nan 8.360 nan 0.000 0.487 527 S N -0.501 115.212 115.700 0.020 0.000 3.698 527 S HA -0.128 4.342 4.470 0.000 0.000 0.338 527 S C -0.459 174.194 174.600 0.088 0.000 1.089 527 S CA 0.385 58.628 58.200 0.071 0.000 0.991 527 S CB -1.841 61.383 63.200 0.040 0.000 0.909 527 S HN 0.739 nan 8.310 nan 0.000 0.485 528 A N 0.026 122.916 122.820 0.116 0.000 2.490 528 A HA 0.713 5.034 4.320 0.000 0.000 0.292 528 A C -0.531 177.170 177.584 0.196 0.000 1.047 528 A CA -0.722 51.411 52.037 0.160 0.000 0.632 528 A CB 0.711 19.831 19.000 0.199 0.000 1.323 528 A HN 0.315 nan 8.150 nan 0.000 0.448 529 R N 0.414 121.057 120.500 0.239 0.000 2.296 529 R HA 0.447 4.787 4.340 0.000 0.000 0.323 529 R C 0.545 177.102 176.300 0.428 0.000 1.067 529 R CA 0.913 57.123 56.100 0.184 0.000 0.946 529 R CB 0.345 30.614 30.300 -0.052 0.000 0.991 529 R HN 1.065 nan 8.270 nan 0.000 0.448 530 G N 1.022 110.030 108.800 0.346 0.000 2.795 530 G HA2 0.076 4.036 3.960 0.000 0.000 0.267 530 G HA3 0.076 4.036 3.960 0.000 0.000 0.267 530 G C 0.470 175.320 174.900 -0.084 0.000 1.362 530 G CA -0.425 44.724 45.100 0.081 0.000 1.048 530 G HN 0.544 nan 8.290 nan 0.000 0.547 531 T N 0.222 114.478 114.554 -0.497 0.000 2.849 531 T HA -0.125 4.225 4.350 0.000 0.000 0.270 531 T C 2.219 176.977 174.700 0.096 0.000 1.066 531 T CA 1.969 63.919 62.100 -0.250 0.000 1.130 531 T CB -0.281 68.392 68.868 -0.325 0.000 0.864 531 T HN 0.769 nan 8.240 nan 0.000 0.481 532 E N 0.250 120.589 120.200 0.231 0.000 2.171 532 E HA -0.234 4.116 4.350 0.000 0.000 0.197 532 E C 1.446 177.690 176.600 -0.595 0.000 0.997 532 E CA 1.452 57.850 56.400 -0.002 0.000 0.810 532 E CB -0.697 29.120 29.700 0.196 0.000 0.738 532 E HN 0.574 nan 8.360 nan 0.000 0.467 533 Y N 1.437 121.638 120.300 -0.166 0.000 2.571 533 Y HA -0.027 4.523 4.550 0.000 0.000 0.294 533 Y C 1.993 177.829 175.900 -0.107 0.000 1.141 533 Y CA 0.928 58.973 58.100 -0.092 0.000 1.308 533 Y CB 0.206 38.732 38.460 0.110 0.000 1.002 533 Y HN 0.042 nan 8.280 nan 0.000 0.551 534 E N -0.965 119.249 120.200 0.024 0.000 2.338 534 E HA -0.144 4.206 4.350 0.000 0.000 0.197 534 E C 2.030 178.645 176.600 0.026 0.000 1.007 534 E CA 0.879 57.319 56.400 0.066 0.000 0.849 534 E CB -0.042 29.730 29.700 0.121 0.000 0.774 534 E HN 0.250 nan 8.360 nan 0.000 0.506 535 S N -0.574 114.999 115.700 -0.211 0.000 2.517 535 S HA 0.030 4.500 4.470 0.000 0.000 0.214 535 S C 0.501 175.000 174.600 -0.168 0.000 0.991 535 S CA -0.212 57.773 58.200 -0.358 0.000 0.906 535 S CB 0.079 62.780 63.200 -0.832 0.000 0.789 535 S HN 0.019 nan 8.310 nan 0.000 0.513 536 F N 1.146 121.081 119.950 -0.025 0.000 2.772 536 F HA 0.558 5.086 4.527 0.000 0.000 0.302 536 F C 1.571 177.412 175.800 0.069 0.000 1.136 536 F CA -0.591 57.399 58.000 -0.018 0.000 1.322 536 F CB 0.281 39.225 39.000 -0.093 0.000 0.967 536 F HN 0.243 nan 8.300 nan 0.000 0.513 537 G N -0.881 108.037 108.800 0.197 0.000 2.380 537 G HA2 0.248 4.208 3.960 0.000 0.000 0.197 537 G HA3 0.248 4.208 3.960 0.000 0.000 0.197 537 G C 0.491 175.457 174.900 0.110 0.000 1.001 537 G CA -0.069 45.121 45.100 0.151 0.000 0.668 537 G HN 1.132 nan 8.290 nan 0.000 0.483 538 G N -0.593 108.272 108.800 0.108 0.000 2.539 538 G HA2 0.338 4.298 3.960 0.000 0.000 0.686 538 G HA3 0.338 4.298 3.960 0.000 0.000 0.686 538 G C -0.971 173.939 174.900 0.017 0.000 1.258 538 G CA 0.001 45.125 45.100 0.040 0.000 0.846 538 G HN 0.888 nan 8.290 nan 0.000 0.647 539 N N 0.313 118.989 118.700 -0.041 0.000 2.489 539 N HA 0.442 5.182 4.740 0.000 0.000 0.284 539 N C 0.425 175.815 175.510 -0.200 0.000 1.158 539 N CA -0.488 52.486 53.050 -0.126 0.000 0.965 539 N CB 1.137 39.572 38.487 -0.086 0.000 1.195 539 N HN 0.658 nan 8.380 nan 0.000 0.506 540 K N 0.316 120.572 120.400 -0.239 0.000 2.469 540 K HA 0.041 4.361 4.320 0.000 0.000 0.274 540 K C 0.999 177.391 176.600 -0.347 0.000 0.983 540 K CA -0.265 55.802 56.287 -0.366 0.000 0.974 540 K CB 0.629 32.800 32.500 -0.549 0.000 0.913 540 K HN 0.201 nan 8.250 nan 0.000 0.493 541 V N 2.331 121.955 119.914 -0.482 0.000 2.469 541 V HA -0.269 3.851 4.120 0.000 0.000 0.251 541 V C 1.641 177.666 176.094 -0.115 0.000 1.064 541 V CA 1.678 63.738 62.300 -0.400 0.000 1.066 541 V CB -0.840 30.714 31.823 -0.448 0.000 0.667 541 V HN 0.747 nan 8.190 nan 0.000 0.461 542 Y N -1.160 119.129 120.300 -0.020 0.000 2.490 542 Y HA 0.196 4.746 4.550 0.000 0.000 0.281 542 Y C 2.061 177.982 175.900 0.034 0.000 1.174 542 Y CA -0.130 57.976 58.100 0.010 0.000 1.295 542 Y CB -1.710 36.767 38.460 0.028 0.000 1.062 542 Y HN 0.343 nan 8.280 nan 0.000 0.522 543 H N 2.149 121.368 119.070 0.249 0.000 2.289 543 H HA -0.167 4.389 4.556 0.000 0.000 0.296 543 H C 1.992 177.337 175.328 0.029 0.000 1.091 543 H CA 2.868 59.042 56.048 0.210 0.000 1.274 543 H CB -0.443 29.419 29.762 0.166 0.000 1.364 543 H HN 0.442 nan 8.280 nan 0.000 0.490 544 T N -2.784 111.725 114.554 -0.077 0.000 3.113 544 T HA -0.083 4.267 4.350 0.000 0.000 0.263 544 T C 1.716 176.288 174.700 -0.213 0.000 1.143 544 T CA 1.058 62.990 62.100 -0.280 0.000 1.090 544 T CB -0.688 68.012 68.868 -0.280 0.000 0.922 544 T HN 0.536 nan 8.240 nan 0.000 0.521 545 T N -1.318 113.164 114.554 -0.121 0.000 3.107 545 T HA 0.361 4.711 4.350 0.000 0.000 0.249 545 T C 1.567 176.168 174.700 -0.165 0.000 1.096 545 T CA -0.178 61.848 62.100 -0.123 0.000 1.012 545 T CB -0.448 68.368 68.868 -0.086 0.000 0.977 545 T HN 0.497 nan 8.240 nan 0.000 0.527 546 I N -0.340 120.077 120.570 -0.255 0.000 3.565 546 I HA 0.230 4.400 4.170 0.000 0.000 0.287 546 I C 2.156 178.031 176.117 -0.403 0.000 1.193 546 I CA 0.013 61.067 61.300 -0.409 0.000 1.402 546 I CB 0.008 37.626 38.000 -0.637 0.000 1.284 546 I HN 0.110 nan 8.210 nan 0.000 0.454 547 L N 1.628 122.589 121.223 -0.436 0.000 2.051 547 L HA -0.181 4.159 4.340 0.000 0.000 0.214 547 L C -0.509 176.199 176.870 -0.270 0.000 1.076 547 L CA 1.970 56.595 54.840 -0.358 0.000 0.758 547 L CB -1.823 39.990 42.059 -0.410 0.000 0.890 547 L HN 0.189 nan 8.230 nan 0.000 0.433 548 P HA -0.131 nan 4.420 nan 0.000 0.223 548 P C 1.186 178.217 177.300 -0.450 0.000 1.151 548 P CA 1.280 64.164 63.100 -0.360 0.000 0.787 548 P CB 0.033 31.460 31.700 -0.456 0.000 0.788 549 F N -1.195 118.548 119.950 -0.345 0.000 2.743 549 F HA 0.018 4.546 4.527 0.000 0.000 0.297 549 F C 1.966 177.584 175.800 -0.304 0.000 1.131 549 F CA 1.141 58.927 58.000 -0.356 0.000 1.426 549 F CB -0.629 38.093 39.000 -0.464 0.000 1.116 549 F HN 0.010 nan 8.300 nan 0.000 0.583 550 T N -2.990 111.490 114.554 -0.124 0.000 3.409 550 T HA 0.139 4.489 4.350 0.000 0.000 0.188 550 T C 1.835 176.461 174.700 -0.123 0.000 0.929 550 T CA 0.034 62.063 62.100 -0.118 0.000 1.184 550 T CB -0.361 68.468 68.868 -0.065 0.000 1.570 550 T HN -0.142 nan 8.240 nan 0.000 0.367 551 R N 1.569 122.045 120.500 -0.038 0.000 2.103 551 R HA 0.110 4.450 4.340 0.000 0.000 0.242 551 R C 2.262 178.550 176.300 -0.020 0.000 1.142 551 R CA 1.686 57.785 56.100 -0.001 0.000 0.960 551 R CB -1.624 28.712 30.300 0.060 0.000 0.858 551 R HN 0.625 nan 8.270 nan 0.000 0.439 552 L N 0.399 121.591 121.223 -0.053 0.000 2.465 552 L HA 0.055 4.396 4.340 0.000 0.000 0.224 552 L C 0.201 177.077 176.870 0.010 0.000 1.145 552 L CA -0.048 54.787 54.840 -0.008 0.000 0.834 552 L CB -0.156 41.882 42.059 -0.035 0.000 0.944 552 L HN -0.064 nan 8.230 nan 0.000 0.451 553 V N 1.246 121.131 119.914 -0.048 0.000 2.421 553 V HA 0.328 4.448 4.120 0.000 0.000 0.271 553 V C 1.179 177.357 176.094 0.141 0.000 1.031 553 V CA 0.896 63.190 62.300 -0.011 0.000 1.032 553 V CB 0.133 31.904 31.823 -0.088 0.000 1.009 553 V HN 0.599 nan 8.190 nan 0.000 0.477 554 G N 3.290 112.181 108.800 0.151 0.000 2.253 554 G HA2 0.200 4.160 3.960 0.000 0.000 0.209 554 G HA3 0.200 4.160 3.960 0.000 0.000 0.209 554 G C 0.421 175.424 174.900 0.173 0.000 0.997 554 G CA -0.274 44.934 45.100 0.180 0.000 0.640 554 G HN 1.884 nan 8.290 nan 0.000 0.496 555 G N -0.586 108.327 108.800 0.188 0.000 2.347 555 G HA2 0.601 4.562 3.960 0.000 0.000 0.303 555 G HA3 0.601 4.562 3.960 0.000 0.000 0.303 555 G C -3.310 171.730 174.900 0.234 0.000 1.481 555 G CA 0.182 45.434 45.100 0.254 0.000 0.914 555 G HN 0.534 nan 8.290 nan 0.000 0.638 556 P HA 0.421 nan 4.420 nan 0.000 0.274 556 P C -0.390 176.940 177.300 0.050 0.000 1.246 556 P CA -0.318 62.850 63.100 0.114 0.000 0.795 556 P CB 1.207 32.871 31.700 -0.060 0.000 1.006 557 M N 1.149 120.753 119.600 0.007 0.000 2.456 557 M HA 0.271 4.751 4.480 0.000 0.000 0.324 557 M C -0.676 175.640 176.300 0.027 0.000 1.124 557 M CA -0.698 54.622 55.300 0.032 0.000 0.959 557 M CB 1.472 34.112 32.600 0.067 0.000 1.692 557 M HN 0.098 nan 8.290 nan 0.000 0.444 558 D N 2.772 123.199 120.400 0.044 0.000 2.508 558 D HA 0.029 4.669 4.640 0.000 0.000 0.224 558 D C 0.042 176.397 176.300 0.091 0.000 1.171 558 D CA 0.288 54.340 54.000 0.086 0.000 1.006 558 D CB 0.005 40.913 40.800 0.180 0.000 1.073 558 D HN 0.556 nan 8.370 nan 0.000 0.513 559 Y N 2.970 123.248 120.300 -0.036 0.000 2.519 559 Y HA 0.012 4.562 4.550 0.000 0.000 0.287 559 Y C 1.094 176.982 175.900 -0.020 0.000 1.128 559 Y CA 1.318 59.408 58.100 -0.017 0.000 1.282 559 Y CB -0.147 38.281 38.460 -0.054 0.000 1.027 559 Y HN 0.441 nan 8.280 nan 0.000 0.551 560 T N -0.461 114.035 114.554 -0.096 0.000 3.704 560 T HA -0.139 4.211 4.350 0.000 0.000 0.388 560 T C -2.363 172.234 174.700 -0.171 0.000 0.763 560 T CA 0.179 62.153 62.100 -0.211 0.000 2.005 560 T CB -2.152 66.473 68.868 -0.405 0.000 1.752 560 T HN 0.337 nan 8.240 nan 0.000 0.747 561 P HA 0.532 nan 4.420 nan 0.000 0.286 561 P C 1.293 178.602 177.300 0.014 0.000 1.293 561 P CA 1.086 64.147 63.100 -0.064 0.000 0.770 561 P CB -0.077 31.461 31.700 -0.270 0.000 1.206 562 G N -1.383 107.500 108.800 0.139 0.000 2.141 562 G HA2 -0.129 3.831 3.960 0.000 0.000 0.195 562 G HA3 -0.129 3.831 3.960 0.000 0.000 0.195 562 G C -0.173 174.751 174.900 0.040 0.000 1.012 562 G CA -0.549 44.708 45.100 0.263 0.000 0.696 562 G HN 0.384 nan 8.290 nan 0.000 0.508 563 I N 1.135 121.694 120.570 -0.019 0.000 2.337 563 I HA 0.391 4.562 4.170 0.000 0.000 0.291 563 I C 1.046 177.269 176.117 0.176 0.000 1.046 563 I CA -0.613 60.591 61.300 -0.159 0.000 1.324 563 I CB 0.339 38.159 38.000 -0.299 0.000 1.409 563 I HN -0.046 nan 8.210 nan 0.000 0.494 564 F N 3.132 122.999 119.950 -0.139 0.000 2.383 564 F HA 0.097 4.624 4.527 0.000 0.000 0.287 564 F C 1.446 177.160 175.800 -0.143 0.000 1.069 564 F CA 0.178 58.080 58.000 -0.162 0.000 1.402 564 F CB -0.257 38.654 39.000 -0.147 0.000 1.116 564 F HN 0.372 nan 8.300 nan 0.000 0.549 565 E N 1.039 121.344 120.200 0.176 0.000 1.941 565 E HA 0.114 4.464 4.350 0.000 0.000 0.275 565 E C 0.841 177.558 176.600 0.195 0.000 1.113 565 E CA 0.024 56.551 56.400 0.213 0.000 0.878 565 E CB 0.327 30.169 29.700 0.237 0.000 1.070 565 E HN 0.256 nan 8.360 nan 0.000 0.399 566 T N 0.586 115.228 114.554 0.146 0.000 3.113 566 T HA 0.034 4.384 4.350 0.000 0.000 0.256 566 T C 0.112 174.812 174.700 -0.001 0.000 1.131 566 T CA 0.148 62.289 62.100 0.068 0.000 1.074 566 T CB -0.366 68.502 68.868 -0.001 0.000 0.944 566 T HN 0.378 nan 8.240 nan 0.000 0.516 567 H N 0.012 119.175 119.070 0.156 0.000 2.761 567 H HA 0.408 4.964 4.556 0.000 0.000 0.284 567 H C 0.844 176.239 175.328 0.112 0.000 1.105 567 H CA -0.887 55.237 56.048 0.127 0.000 1.352 567 H CB 0.402 30.223 29.762 0.098 0.000 1.423 567 H HN 0.180 nan 8.280 nan 0.000 0.464 568 C N 1.889 121.289 119.300 0.167 0.000 2.437 568 C HA -0.133 4.328 4.460 0.000 0.000 0.283 568 C C 2.063 177.066 174.990 0.021 0.000 1.424 568 C CA 0.911 59.965 59.018 0.059 0.000 1.782 568 C CB -1.061 26.649 27.740 -0.049 0.000 1.833 568 C HN 0.893 nan 8.230 nan 0.000 0.532 569 N N 1.344 120.089 118.700 0.075 0.000 2.512 569 N HA -0.110 4.630 4.740 0.000 0.000 0.183 569 N C 1.158 176.680 175.510 0.021 0.000 1.073 569 N CA 0.932 54.002 53.050 0.034 0.000 0.911 569 N CB -0.596 37.919 38.487 0.046 0.000 0.964 569 N HN 0.491 nan 8.380 nan 0.000 0.447 570 K N -0.584 119.846 120.400 0.051 0.000 2.365 570 K HA 0.176 4.497 4.320 0.000 0.000 0.197 570 K C 1.425 178.026 176.600 0.001 0.000 1.042 570 K CA 0.488 56.795 56.287 0.034 0.000 0.987 570 K CB 0.047 32.592 32.500 0.075 0.000 0.779 570 K HN 0.198 nan 8.250 nan 0.000 0.484 571 M N 0.395 119.979 119.600 -0.027 0.000 2.325 571 M HA 0.006 4.486 4.480 0.000 0.000 0.265 571 M C 0.461 176.690 176.300 -0.118 0.000 1.094 571 M CA 0.936 56.178 55.300 -0.096 0.000 1.161 571 M CB -0.567 31.910 32.600 -0.206 0.000 1.358 571 M HN -0.008 nan 8.290 nan 0.000 0.446 572 N N 0.682 119.315 118.700 -0.111 0.000 2.533 572 N HA 0.236 4.976 4.740 0.000 0.000 0.289 572 N C -2.442 173.029 175.510 -0.064 0.000 1.103 572 N CA -1.644 51.343 53.050 -0.104 0.000 0.877 572 N CB 1.950 40.349 38.487 -0.147 0.000 1.419 572 N HN -0.196 nan 8.380 nan 0.000 0.517 573 P HA 0.008 nan 4.420 nan 0.000 0.226 573 P C 0.632 177.919 177.300 -0.022 0.000 1.153 573 P CA 0.576 63.660 63.100 -0.027 0.000 0.777 573 P CB 0.281 31.966 31.700 -0.025 0.000 0.794 574 A N -0.756 122.045 122.820 -0.031 0.000 2.208 574 A HA -0.012 4.308 4.320 0.000 0.000 0.209 574 A C 1.198 178.770 177.584 -0.019 0.000 1.161 574 A CA 0.227 52.250 52.037 -0.023 0.000 0.782 574 A CB -0.852 18.130 19.000 -0.030 0.000 0.816 574 A HN 0.110 nan 8.150 nan 0.000 0.477 575 N N 0.793 119.476 118.700 -0.028 0.000 2.485 575 N HA 0.184 4.925 4.740 0.000 0.000 0.243 575 N C -0.576 174.940 175.510 0.009 0.000 0.987 575 N CA -0.222 52.815 53.050 -0.022 0.000 0.940 575 N CB 0.208 38.653 38.487 -0.071 0.000 1.122 575 N HN 0.269 nan 8.380 nan 0.000 0.509 576 N N 0.584 119.304 118.700 0.033 0.000 2.268 576 N HA 0.007 4.747 4.740 0.000 0.000 0.204 576 N C -0.089 175.471 175.510 0.083 0.000 1.124 576 N CA -0.180 52.907 53.050 0.062 0.000 0.838 576 N CB 0.391 38.914 38.487 0.061 0.000 0.994 576 N HN 0.332 nan 8.380 nan 0.000 0.489 577 S N 0.759 116.499 115.700 0.067 0.000 2.568 577 S HA 0.017 4.487 4.470 0.000 0.000 0.282 577 S C -0.209 174.449 174.600 0.097 0.000 1.338 577 S CA -0.069 58.179 58.200 0.081 0.000 1.045 577 S CB 0.705 63.940 63.200 0.057 0.000 0.873 577 S HN 0.274 nan 8.310 nan 0.000 0.516 578 Q N 3.331 123.198 119.800 0.112 0.000 2.304 578 Q HA 0.461 4.801 4.340 0.000 0.000 0.270 578 Q C -1.417 174.651 176.000 0.114 0.000 1.035 578 Q CA -0.825 55.038 55.803 0.101 0.000 0.781 578 Q CB 1.536 30.353 28.738 0.132 0.000 1.261 578 Q HN 0.560 nan 8.270 nan 0.000 0.444 579 V N 3.862 123.834 119.914 0.097 0.000 2.599 579 V HA 0.054 4.174 4.120 0.000 0.000 0.300 579 V C 0.402 176.536 176.094 0.066 0.000 1.034 579 V CA 0.178 62.528 62.300 0.084 0.000 1.115 579 V CB 0.572 32.453 31.823 0.096 0.000 0.934 579 V HN 0.682 nan 8.190 nan 0.000 0.485 580 R N 3.125 123.563 120.500 -0.103 0.000 4.164 580 R HA 0.425 4.765 4.340 0.000 0.000 0.195 580 R C 0.004 176.189 176.300 -0.193 0.000 1.712 580 R CA 0.269 56.103 56.100 -0.444 0.000 1.457 580 R CB 0.018 29.839 30.300 -0.798 0.000 1.387 580 R HN 0.770 nan 8.270 nan 0.000 0.785 581 S N -0.924 114.840 115.700 0.106 0.000 2.552 581 S HA 0.427 4.897 4.470 0.000 0.000 0.272 581 S C -0.503 174.221 174.600 0.207 0.000 1.150 581 S CA -0.723 57.558 58.200 0.136 0.000 0.849 581 S CB 0.932 64.191 63.200 0.097 0.000 1.113 581 S HN 0.423 nan 8.310 nan 0.000 0.458 582 T N 1.183 115.842 114.554 0.176 0.000 2.847 582 T HA 0.522 4.872 4.350 0.000 0.000 0.279 582 T C 1.725 176.466 174.700 0.068 0.000 0.984 582 T CA -0.708 61.470 62.100 0.129 0.000 0.988 582 T CB 0.315 69.261 68.868 0.130 0.000 1.040 582 T HN 0.537 nan 8.240 nan 0.000 0.528 583 I N 0.878 121.445 120.570 -0.005 0.000 2.226 583 I HA -0.142 4.028 4.170 0.000 0.000 0.245 583 I C 2.958 179.019 176.117 -0.094 0.000 1.100 583 I CA 1.662 62.873 61.300 -0.149 0.000 1.374 583 I CB -0.735 36.983 38.000 -0.469 0.000 1.057 583 I HN 0.886 nan 8.210 nan 0.000 0.413 584 A N 0.294 123.097 122.820 -0.029 0.000 2.015 584 A HA -0.204 4.116 4.320 0.000 0.000 0.219 584 A C 2.428 180.027 177.584 0.024 0.000 1.163 584 A CA 1.181 53.222 52.037 0.007 0.000 0.646 584 A CB -0.511 18.550 19.000 0.102 0.000 0.806 584 A HN 0.283 nan 8.150 nan 0.000 0.448 585 R N -0.579 119.947 120.500 0.045 0.000 2.115 585 R HA -0.089 4.251 4.340 0.000 0.000 0.226 585 R C 1.890 178.228 176.300 0.064 0.000 1.100 585 R CA 1.212 57.330 56.100 0.031 0.000 0.980 585 R CB -0.270 30.054 30.300 0.041 0.000 0.875 585 R HN 0.531 nan 8.270 nan 0.000 0.445 586 Q N 0.661 120.533 119.800 0.121 0.000 2.124 586 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 586 Q C 2.286 178.469 176.000 0.305 0.000 0.977 586 Q CA 1.123 57.050 55.803 0.206 0.000 0.850 586 Q CB -0.227 28.692 28.738 0.302 0.000 0.901 586 Q HN 0.399 nan 8.270 nan 0.000 0.429 587 L N -0.008 121.377 121.223 0.271 0.000 2.046 587 L HA -0.153 4.187 4.340 0.000 0.000 0.208 587 L C 2.463 179.487 176.870 0.258 0.000 1.077 587 L CA 1.066 56.088 54.840 0.304 0.000 0.747 587 L CB -0.761 41.263 42.059 -0.058 0.000 0.896 587 L HN 0.113 nan 8.230 nan 0.000 0.432 588 A N 0.322 123.174 122.820 0.054 0.000 1.978 588 A HA -0.166 4.155 4.320 0.000 0.000 0.220 588 A C 2.235 179.857 177.584 0.062 0.000 1.170 588 A CA 1.348 53.385 52.037 -0.001 0.000 0.636 588 A CB -0.691 18.246 19.000 -0.105 0.000 0.810 588 A HN 0.403 nan 8.150 nan 0.000 0.448 589 L N -2.064 119.179 121.223 0.034 0.000 2.265 589 L HA -0.196 4.144 4.340 0.000 0.000 0.215 589 L C 2.212 178.999 176.870 -0.139 0.000 1.117 589 L CA 1.017 55.796 54.840 -0.102 0.000 0.782 589 L CB -0.691 41.270 42.059 -0.163 0.000 0.914 589 L HN 0.470 nan 8.230 nan 0.000 0.441 590 Y N -0.918 119.465 120.300 0.138 0.000 2.483 590 Y HA -0.151 4.399 4.550 0.000 0.000 0.291 590 Y C 2.237 178.239 175.900 0.171 0.000 1.143 590 Y CA 0.746 58.935 58.100 0.147 0.000 1.289 590 Y CB -0.241 38.311 38.460 0.153 0.000 0.983 590 Y HN -0.053 nan 8.280 nan 0.000 0.556 591 V N -1.814 118.248 119.914 0.246 0.000 3.048 591 V HA -0.093 4.027 4.120 0.000 0.000 0.241 591 V C 2.126 178.201 176.094 -0.032 0.000 1.129 591 V CA 1.595 63.950 62.300 0.092 0.000 1.128 591 V CB -0.303 31.586 31.823 0.110 0.000 0.849 591 V HN 0.459 nan 8.190 nan 0.000 0.475 592 T N -2.883 111.645 114.554 -0.044 0.000 3.067 592 T HA 0.140 4.490 4.350 0.000 0.000 0.257 592 T C 0.839 175.465 174.700 -0.124 0.000 1.105 592 T CA 0.428 62.465 62.100 -0.105 0.000 1.104 592 T CB -0.062 68.726 68.868 -0.133 0.000 0.925 592 T HN 0.122 nan 8.240 nan 0.000 0.498 593 M N 2.595 122.122 119.600 -0.122 0.000 2.385 593 M HA 0.340 4.820 4.480 0.000 0.000 0.346 593 M C -0.863 175.406 176.300 -0.052 0.000 1.180 593 M CA -1.535 53.679 55.300 -0.144 0.000 1.154 593 M CB -0.112 32.335 32.600 -0.255 0.000 1.251 593 M HN 0.321 nan 8.290 nan 0.000 0.430 594 Y N 2.126 122.392 120.300 -0.057 0.000 2.717 594 Y HA 0.234 4.784 4.550 0.000 0.000 0.330 594 Y C 0.009 175.949 175.900 0.068 0.000 1.217 594 Y CA 0.754 58.874 58.100 0.033 0.000 1.506 594 Y CB 0.492 38.972 38.460 0.033 0.000 1.268 594 Y HN 0.689 nan 8.280 nan 0.000 0.561 595 S N 6.710 121.759 115.700 -1.084 0.000 2.556 595 S HA 0.331 4.802 4.470 0.000 0.000 0.280 595 S C -2.593 171.588 174.600 -0.698 0.000 1.141 595 S CA -0.912 56.730 58.200 -0.931 0.000 0.883 595 S CB 1.671 64.647 63.200 -0.373 0.000 1.103 595 S HN 0.530 nan 8.310 nan 0.000 0.453 596 P HA 0.202 nan 4.420 nan 0.000 0.249 596 P C -0.083 176.997 177.300 -0.367 0.000 1.229 596 P CA 0.126 62.935 63.100 -0.486 0.000 0.788 596 P CB -0.039 31.154 31.700 -0.844 0.000 1.072 597 L N 0.709 121.756 121.223 -0.293 0.000 2.377 597 L HA 0.457 4.797 4.340 0.000 0.000 0.270 597 L C -1.050 175.847 176.870 0.045 0.000 0.991 597 L CA -0.256 54.519 54.840 -0.108 0.000 0.851 597 L CB 1.392 43.368 42.059 -0.137 0.000 1.218 597 L HN -0.254 nan 8.230 nan 0.000 0.420 598 Q N 5.868 125.763 119.800 0.159 0.000 2.309 598 Q HA 0.376 4.716 4.340 0.000 0.000 0.270 598 Q C -0.984 175.080 176.000 0.108 0.000 1.023 598 Q CA -0.323 55.567 55.803 0.145 0.000 0.758 598 Q CB 2.717 31.564 28.738 0.181 0.000 1.247 598 Q HN 0.756 nan 8.270 nan 0.000 0.455 599 M N 1.484 120.979 119.600 -0.175 0.000 2.274 599 M HA 0.505 4.985 4.480 0.000 0.000 0.344 599 M C -0.588 175.689 176.300 -0.039 0.000 1.161 599 M CA -0.336 54.603 55.300 -0.601 0.000 1.126 599 M CB 1.057 33.112 32.600 -0.907 0.000 1.522 599 M HN 0.680 nan 8.290 nan 0.000 0.461 600 A N 3.559 126.383 122.820 0.007 0.000 2.341 600 A HA 0.632 4.952 4.320 0.000 0.000 0.326 600 A C 0.466 178.108 177.584 0.096 0.000 1.402 600 A CA -0.375 51.764 52.037 0.171 0.000 0.957 600 A CB 0.180 19.267 19.000 0.145 0.000 1.151 600 A HN 1.018 nan 8.150 nan 0.000 0.533 601 A N 1.913 124.755 122.820 0.037 0.000 2.123 601 A HA 0.115 4.435 4.320 0.000 0.000 0.214 601 A C 0.980 178.466 177.584 -0.163 0.000 1.152 601 A CA 0.557 52.566 52.037 -0.047 0.000 0.728 601 A CB -0.110 18.834 19.000 -0.093 0.000 0.814 601 A HN 0.698 nan 8.150 nan 0.000 0.464 602 D N -0.024 120.177 120.400 -0.331 0.000 2.398 602 D HA 0.346 4.986 4.640 0.000 0.000 0.247 602 D C 0.481 176.498 176.300 -0.473 0.000 1.227 602 D CA -0.304 53.292 54.000 -0.673 0.000 0.980 602 D CB 0.593 40.710 40.800 -1.138 0.000 1.106 602 D HN 0.379 nan 8.370 nan 0.000 0.493 603 I N -2.223 118.110 120.570 -0.395 0.000 2.612 603 I HA 0.282 4.452 4.170 0.000 0.000 0.295 603 I C -1.924 173.804 176.117 -0.648 0.000 1.011 603 I CA -1.737 59.351 61.300 -0.353 0.000 1.326 603 I CB 1.002 38.902 38.000 -0.167 0.000 1.427 603 I HN 0.092 nan 8.210 nan 0.000 0.537 604 P HA -0.212 nan 4.420 nan 0.000 0.216 604 P C 1.381 178.244 177.300 -0.727 0.000 1.153 604 P CA 1.513 63.881 63.100 -1.220 0.000 0.858 604 P CB 0.090 30.938 31.700 -1.420 0.000 0.789 605 E N -0.803 119.117 120.200 -0.467 0.000 2.160 605 E HA -0.223 4.127 4.350 0.000 0.000 0.195 605 E C 1.549 178.031 176.600 -0.196 0.000 0.991 605 E CA 1.060 57.304 56.400 -0.259 0.000 0.810 605 E CB -0.275 29.318 29.700 -0.179 0.000 0.742 605 E HN 0.136 nan 8.360 nan 0.000 0.466 606 N N -0.414 118.133 118.700 -0.255 0.000 2.216 606 N HA -0.118 4.622 4.740 0.000 0.000 0.183 606 N C 1.416 176.908 175.510 -0.031 0.000 1.017 606 N CA 0.906 53.882 53.050 -0.124 0.000 0.861 606 N CB -0.378 38.010 38.487 -0.165 0.000 0.986 606 N HN 0.275 nan 8.380 nan 0.000 0.428 607 Y N 1.792 121.969 120.300 -0.206 0.000 2.224 607 Y HA -0.051 4.499 4.550 0.000 0.000 0.289 607 Y C 2.169 178.018 175.900 -0.085 0.000 1.146 607 Y CA 0.706 58.640 58.100 -0.277 0.000 1.182 607 Y CB -0.508 37.378 38.460 -0.957 0.000 0.983 607 Y HN 0.164 nan 8.280 nan 0.000 0.524 608 E N -0.269 119.950 120.200 0.031 0.000 2.265 608 E HA -0.219 4.131 4.350 0.000 0.000 0.196 608 E C 2.174 178.794 176.600 0.034 0.000 0.996 608 E CA 0.731 57.176 56.400 0.074 0.000 0.832 608 E CB -0.121 29.610 29.700 0.053 0.000 0.756 608 E HN 0.338 nan 8.360 nan 0.000 0.491 609 R N -0.237 120.238 120.500 -0.043 0.000 2.193 609 R HA -0.026 4.314 4.340 0.000 0.000 0.213 609 R C 0.026 176.025 176.300 -0.502 0.000 1.055 609 R CA 0.698 56.607 56.100 -0.318 0.000 0.995 609 R CB 0.290 30.290 30.300 -0.500 0.000 0.893 609 R HN 0.037 nan 8.270 nan 0.000 0.459 610 F N -0.663 119.450 119.950 0.272 0.000 2.623 610 F HA 0.224 4.751 4.527 0.000 0.000 0.361 610 F C 0.664 176.696 175.800 0.387 0.000 1.469 610 F CA -0.603 57.595 58.000 0.330 0.000 1.126 610 F CB 0.924 40.094 39.000 0.284 0.000 1.221 610 F HN -0.083 nan 8.300 nan 0.000 0.536 611 M N 1.171 121.015 119.600 0.406 0.000 2.296 611 M HA -0.146 4.334 4.480 0.000 0.000 0.265 611 M C 1.970 178.520 176.300 0.416 0.000 1.064 611 M CA 1.937 57.477 55.300 0.399 0.000 1.109 611 M CB -0.317 32.445 32.600 0.269 0.000 1.396 611 M HN 0.310 nan 8.290 nan 0.000 0.430 612 D N -0.200 120.433 120.400 0.388 0.000 2.117 612 D HA -0.113 4.527 4.640 0.000 0.000 0.198 612 D C 1.801 178.371 176.300 0.451 0.000 0.982 612 D CA 1.680 55.908 54.000 0.380 0.000 0.828 612 D CB -1.028 39.982 40.800 0.350 0.000 0.967 612 D HN 0.409 nan 8.370 nan 0.000 0.464 613 A N -0.057 122.991 122.820 0.379 0.000 1.929 613 A HA -0.018 4.302 4.320 0.000 0.000 0.216 613 A C 2.006 179.787 177.584 0.329 0.000 1.176 613 A CA 0.823 52.967 52.037 0.179 0.000 0.628 613 A CB -1.190 17.471 19.000 -0.565 0.000 0.816 613 A HN 0.216 nan 8.150 nan 0.000 0.444 614 F N 0.894 121.069 119.950 0.375 0.000 2.307 614 F HA -0.205 4.322 4.527 0.000 0.000 0.301 614 F C 2.223 178.058 175.800 0.059 0.000 1.076 614 F CA 1.843 60.002 58.000 0.264 0.000 1.383 614 F CB -0.367 38.755 39.000 0.204 0.000 1.055 614 F HN 0.348 nan 8.300 nan 0.000 0.526 615 Q N -0.274 119.601 119.800 0.126 0.000 2.197 615 Q HA -0.275 4.065 4.340 0.000 0.000 0.207 615 Q C 2.066 177.981 176.000 -0.142 0.000 0.984 615 Q CA 2.120 57.930 55.803 0.011 0.000 0.869 615 Q CB -0.872 28.012 28.738 0.245 0.000 0.906 615 Q HN 0.494 nan 8.270 nan 0.000 0.426 616 F N -0.130 119.584 119.950 -0.394 0.000 2.134 616 F HA -0.106 4.421 4.527 0.000 0.000 0.299 616 F C 1.631 177.137 175.800 -0.489 0.000 1.097 616 F CA 1.311 58.997 58.000 -0.524 0.000 1.264 616 F CB -0.149 38.271 39.000 -0.967 0.000 1.001 616 F HN 0.106 nan 8.300 nan 0.000 0.479 617 I N 0.182 120.390 120.570 -0.603 0.000 2.226 617 I HA -0.327 3.843 4.170 0.000 0.000 0.245 617 I C 2.265 177.787 176.117 -0.991 0.000 1.100 617 I CA 1.478 62.209 61.300 -0.949 0.000 1.374 617 I CB -0.627 36.805 38.000 -0.946 0.000 1.057 617 I HN 0.113 nan 8.210 nan 0.000 0.413 618 K N 0.601 120.432 120.400 -0.948 0.000 2.063 618 K HA -0.192 4.129 4.320 0.000 0.000 0.208 618 K C 1.621 177.857 176.600 -0.606 0.000 1.048 618 K CA 1.618 57.435 56.287 -0.784 0.000 0.928 618 K CB -0.150 32.023 32.500 -0.545 0.000 0.713 618 K HN 0.289 nan 8.250 nan 0.000 0.442 619 D N 0.350 120.437 120.400 -0.521 0.000 2.213 619 D HA -0.046 4.594 4.640 0.000 0.000 0.205 619 D C 0.516 176.466 176.300 -0.583 0.000 0.961 619 D CA 0.289 54.068 54.000 -0.367 0.000 0.853 619 D CB -0.105 40.632 40.800 -0.105 0.000 0.967 619 D HN -0.099 nan 8.370 nan 0.000 0.496 620 V N 0.937 120.305 119.914 -0.910 0.000 2.763 620 V HA 0.312 4.433 4.120 0.000 0.000 0.306 620 V C 0.337 175.909 176.094 -0.870 0.000 1.059 620 V CA -0.443 61.145 62.300 -1.187 0.000 1.138 620 V CB 0.816 31.998 31.823 -1.070 0.000 0.940 620 V HN 0.172 nan 8.190 nan 0.000 0.489 621 A N 5.817 128.053 122.820 -0.973 0.000 2.280 621 A HA 0.592 4.912 4.320 0.000 0.000 0.268 621 A C 0.578 177.702 177.584 -0.766 0.000 1.111 621 A CA -0.282 51.254 52.037 -0.835 0.000 0.814 621 A CB 0.520 18.918 19.000 -1.004 0.000 1.093 621 A HN 0.947 nan 8.150 nan 0.000 0.498 622 L N -1.194 119.571 121.223 -0.764 0.000 2.817 622 L HA 0.314 4.655 4.340 0.000 0.000 0.248 622 L C -0.276 176.207 176.870 -0.644 0.000 1.133 622 L CA 0.248 54.792 54.840 -0.494 0.000 0.935 622 L CB 0.358 42.223 42.059 -0.324 0.000 1.266 622 L HN 0.693 nan 8.230 nan 0.000 0.535 623 D N -1.089 118.609 120.400 -1.170 0.000 2.736 623 D HA 0.393 5.033 4.640 0.000 0.000 0.223 623 D C -2.000 173.734 176.300 -0.944 0.000 1.231 623 D CA -0.190 53.352 54.000 -0.763 0.000 0.818 623 D CB 1.616 42.238 40.800 -0.297 0.000 1.587 623 D HN -0.142 nan 8.370 nan 0.000 0.463 624 W N 1.862 123.159 121.300 -0.004 0.000 2.998 624 W HA 0.355 5.015 4.660 0.000 0.000 0.335 624 W C 0.519 176.961 176.519 -0.128 0.000 1.110 624 W CA -0.606 56.685 57.345 -0.090 0.000 1.230 624 W CB 1.721 31.118 29.460 -0.106 0.000 1.405 624 W HN 0.186 nan 8.180 nan 0.000 0.493 625 D N 0.999 121.435 120.400 0.060 0.000 2.271 625 D HA 0.015 4.655 4.640 0.000 0.000 0.206 625 D C -0.051 176.211 176.300 -0.062 0.000 0.967 625 D CA 1.200 55.181 54.000 -0.033 0.000 0.867 625 D CB 0.634 41.391 40.800 -0.072 0.000 0.960 625 D HN 0.491 nan 8.370 nan 0.000 0.509 626 E N -1.064 119.076 120.200 -0.101 0.000 2.390 626 E HA 0.420 4.771 4.350 0.000 0.000 0.277 626 E C -1.096 175.385 176.600 -0.199 0.000 0.939 626 E CA -0.556 55.766 56.400 -0.131 0.000 0.769 626 E CB 2.449 32.088 29.700 -0.101 0.000 1.251 626 E HN -0.264 nan 8.360 nan 0.000 0.450 627 T N 1.646 116.064 114.554 -0.227 0.000 2.921 627 T HA 0.331 4.681 4.350 0.000 0.000 0.297 627 T C -1.099 173.339 174.700 -0.437 0.000 1.013 627 T CA -0.773 61.076 62.100 -0.418 0.000 0.990 627 T CB 0.993 69.492 68.868 -0.614 0.000 1.023 627 T HN 0.280 nan 8.240 nan 0.000 0.447 628 N N 2.438 120.864 118.700 -0.457 0.000 2.443 628 N HA 0.272 5.012 4.740 0.000 0.000 0.269 628 N C -1.503 173.681 175.510 -0.543 0.000 0.985 628 N CA -0.504 52.293 53.050 -0.422 0.000 0.921 628 N CB 0.725 38.970 38.487 -0.403 0.000 1.195 628 N HN 0.501 nan 8.380 nan 0.000 0.492 629 Y N 4.197 124.388 120.300 -0.181 0.000 2.504 629 Y HA 0.213 4.764 4.550 0.000 0.000 0.351 629 Y C 1.601 177.414 175.900 -0.144 0.000 0.988 629 Y CA -0.406 57.585 58.100 -0.181 0.000 1.239 629 Y CB 0.798 39.144 38.460 -0.190 0.000 1.128 629 Y HN 0.409 nan 8.280 nan 0.000 0.525 630 L N 1.652 122.842 121.223 -0.055 0.000 2.068 630 L HA 0.042 4.383 4.340 0.000 0.000 0.204 630 L C 0.285 177.175 176.870 0.034 0.000 1.076 630 L CA 1.211 56.026 54.840 -0.041 0.000 0.753 630 L CB 0.014 42.027 42.059 -0.078 0.000 0.910 630 L HN 0.532 nan 8.230 nan 0.000 0.439 631 E N -1.054 119.186 120.200 0.067 0.000 2.331 631 E HA 0.702 5.052 4.350 0.000 0.000 0.275 631 E C -1.254 175.418 176.600 0.120 0.000 0.895 631 E CA -0.577 55.913 56.400 0.149 0.000 0.753 631 E CB 2.642 32.471 29.700 0.215 0.000 1.216 631 E HN 0.087 nan 8.360 nan 0.000 0.434 632 A N 2.334 125.196 122.820 0.070 0.000 2.500 632 A HA 0.544 4.864 4.320 0.000 0.000 0.291 632 A C -1.536 175.853 177.584 -0.325 0.000 1.048 632 A CA -0.574 51.407 52.037 -0.094 0.000 0.791 632 A CB 1.632 20.611 19.000 -0.036 0.000 1.309 632 A HN 0.529 nan 8.150 nan 0.000 0.397 633 E N 3.243 123.022 120.200 -0.702 0.000 2.302 633 E HA 0.554 4.904 4.350 0.000 0.000 0.263 633 E C -2.920 173.238 176.600 -0.737 0.000 0.897 633 E CA -1.821 54.114 56.400 -0.776 0.000 0.809 633 E CB 2.547 31.641 29.700 -1.009 0.000 1.270 633 E HN 0.383 nan 8.360 nan 0.000 0.410 634 P HA 0.129 nan 4.420 nan 0.000 0.265 634 P C 0.731 177.613 177.300 -0.698 0.000 1.193 634 P CA 1.176 63.536 63.100 -1.234 0.000 0.765 634 P CB 0.991 31.389 31.700 -2.171 0.000 0.823 635 G N 2.837 111.346 108.800 -0.484 0.000 2.205 635 G HA2 -0.278 3.682 3.960 0.000 0.000 0.261 635 G HA3 -0.278 3.682 3.960 0.000 0.000 0.261 635 G C 0.701 175.544 174.900 -0.094 0.000 0.980 635 G CA 0.499 45.442 45.100 -0.261 0.000 0.632 635 G HN 0.574 nan 8.290 nan 0.000 0.533 636 E N -1.795 118.305 120.200 -0.166 0.000 2.520 636 E HA 0.388 4.738 4.350 0.000 0.000 0.201 636 E C 0.385 176.994 176.600 0.014 0.000 0.894 636 E CA 0.698 57.074 56.400 -0.040 0.000 1.161 636 E CB 0.725 30.388 29.700 -0.061 0.000 1.137 636 E HN 0.865 nan 8.360 nan 0.000 0.510 637 Y N -0.836 119.372 120.300 -0.153 0.000 2.604 637 Y HA 0.624 5.174 4.550 0.000 0.000 0.331 637 Y C -1.390 174.387 175.900 -0.204 0.000 1.158 637 Y CA -1.229 56.723 58.100 -0.247 0.000 1.056 637 Y CB 1.068 39.168 38.460 -0.600 0.000 1.330 637 Y HN -0.189 nan 8.280 nan 0.000 0.457 638 I N 2.486 123.032 120.570 -0.041 0.000 2.607 638 I HA 0.558 4.728 4.170 0.000 0.000 0.290 638 I C -1.140 174.938 176.117 -0.064 0.000 1.129 638 I CA -0.825 60.436 61.300 -0.065 0.000 1.042 638 I CB 2.842 40.762 38.000 -0.133 0.000 1.242 638 I HN 0.857 nan 8.210 nan 0.000 0.421 639 T N 4.759 119.297 114.554 -0.027 0.000 2.881 639 T HA 0.800 5.151 4.350 0.000 0.000 0.291 639 T C -0.833 173.827 174.700 -0.066 0.000 0.990 639 T CA -0.531 61.540 62.100 -0.049 0.000 0.976 639 T CB 1.231 70.114 68.868 0.025 0.000 0.970 639 T HN 0.375 nan 8.240 nan 0.000 0.438 640 I N 2.217 122.719 120.570 -0.114 0.000 2.619 640 I HA 0.700 4.870 4.170 0.000 0.000 0.292 640 I C -0.270 175.720 176.117 -0.211 0.000 1.100 640 I CA -1.443 59.730 61.300 -0.210 0.000 1.043 640 I CB 2.282 40.130 38.000 -0.254 0.000 1.239 640 I HN 0.927 nan 8.210 nan 0.000 0.420 641 A N 6.188 128.819 122.820 -0.315 0.000 2.331 641 A HA 0.898 5.218 4.320 0.000 0.000 0.320 641 A C -0.651 176.828 177.584 -0.175 0.000 1.138 641 A CA -0.605 51.297 52.037 -0.225 0.000 0.790 641 A CB 1.057 19.699 19.000 -0.597 0.000 1.206 641 A HN 0.792 nan 8.150 nan 0.000 0.470 642 R N 1.214 121.658 120.500 -0.092 0.000 2.744 642 R HA 0.480 4.820 4.340 0.000 0.000 0.279 642 R C -0.913 175.267 176.300 -0.200 0.000 0.977 642 R CA -0.840 55.037 56.100 -0.371 0.000 0.906 642 R CB 2.580 32.102 30.300 -1.297 0.000 1.197 642 R HN 0.683 nan 8.270 nan 0.000 0.463 643 K N 1.802 121.864 120.400 -0.562 0.000 2.253 643 K HA 0.378 4.699 4.320 0.000 0.000 0.277 643 K C -0.486 176.137 176.600 0.038 0.000 1.053 643 K CA -0.288 55.521 56.287 -0.796 0.000 0.892 643 K CB 1.300 32.966 32.500 -1.389 0.000 1.102 643 K HN 0.757 nan 8.250 nan 0.000 0.469 644 A N 4.514 127.458 122.820 0.207 0.000 2.520 644 A HA 0.014 4.334 4.320 0.000 0.000 0.245 644 A C -0.009 177.520 177.584 -0.092 0.000 1.072 644 A CA 0.045 52.105 52.037 0.038 0.000 0.761 644 A CB 0.074 19.092 19.000 0.029 0.000 1.004 644 A HN 0.855 nan 8.150 nan 0.000 0.499 645 K N 1.986 122.280 120.400 -0.177 0.000 2.511 645 K HA 0.020 4.341 4.320 0.000 0.000 0.280 645 K C -0.427 176.111 176.600 -0.104 0.000 1.008 645 K CA 0.708 56.919 56.287 -0.127 0.000 1.050 645 K CB 0.053 32.467 32.500 -0.144 0.000 0.889 645 K HN 0.767 nan 8.250 nan 0.000 0.484 646 D N 0.998 121.355 120.400 -0.073 0.000 3.041 646 D HA -0.169 4.471 4.640 0.000 0.000 0.220 646 D C -0.170 176.105 176.300 -0.042 0.000 1.157 646 D CA 1.801 55.769 54.000 -0.053 0.000 0.876 646 D CB -1.325 39.441 40.800 -0.056 0.000 1.107 646 D HN 0.798 nan 8.370 nan 0.000 0.422 647 T N -3.832 110.698 114.554 -0.040 0.000 2.831 647 T HA 0.529 4.880 4.350 0.000 0.000 0.287 647 T C -0.024 174.679 174.700 0.004 0.000 1.070 647 T CA -0.769 61.325 62.100 -0.011 0.000 1.010 647 T CB 2.273 71.146 68.868 0.009 0.000 1.264 647 T HN -0.210 nan 8.240 nan 0.000 0.532 648 D N 0.687 121.120 120.400 0.055 0.000 2.463 648 D HA 0.214 4.854 4.640 0.000 0.000 0.224 648 D C -0.732 175.717 176.300 0.248 0.000 1.174 648 D CA -0.184 53.898 54.000 0.137 0.000 0.829 648 D CB 0.358 41.240 40.800 0.136 0.000 0.993 648 D HN 0.468 nan 8.370 nan 0.000 0.497 649 D N 0.239 120.724 120.400 0.141 0.000 2.181 649 D HA 0.302 4.942 4.640 0.000 0.000 0.248 649 D C -0.231 176.128 176.300 0.098 0.000 1.020 649 D CA -0.185 53.934 54.000 0.200 0.000 0.891 649 D CB 1.228 42.130 40.800 0.170 0.000 1.187 649 D HN -0.035 nan 8.370 nan 0.000 0.443 650 W N 0.838 122.161 121.300 0.037 0.000 2.761 650 W HA 0.456 5.116 4.660 0.000 0.000 0.340 650 W C -0.718 175.687 176.519 -0.189 0.000 1.072 650 W CA -0.716 56.682 57.345 0.089 0.000 1.215 650 W CB 1.079 30.645 29.460 0.176 0.000 1.420 650 W HN 0.206 nan 8.180 nan 0.000 0.519 651 Y N 1.107 121.691 120.300 0.474 0.000 2.462 651 Y HA 0.679 5.229 4.550 0.000 0.000 0.346 651 Y C -0.257 175.827 175.900 0.306 0.000 0.976 651 Y CA -1.273 57.081 58.100 0.422 0.000 1.044 651 Y CB 1.775 40.492 38.460 0.427 0.000 1.230 651 Y HN -0.019 nan 8.280 nan 0.000 0.455 652 V N 1.841 122.025 119.914 0.449 0.000 2.735 652 V HA 0.923 5.043 4.120 0.000 0.000 0.310 652 V C -0.120 176.109 176.094 0.224 0.000 1.061 652 V CA -0.737 61.732 62.300 0.282 0.000 0.913 652 V CB 1.937 33.965 31.823 0.341 0.000 1.005 652 V HN 0.925 nan 8.190 nan 0.000 0.428 653 G N 0.970 109.815 108.800 0.075 0.000 2.612 653 G HA2 0.604 4.564 3.960 0.000 0.000 0.298 653 G HA3 0.604 4.564 3.960 0.000 0.000 0.298 653 G C -1.555 173.211 174.900 -0.223 0.000 1.336 653 G CA -0.556 44.512 45.100 -0.053 0.000 0.953 653 G HN 0.926 nan 8.290 nan 0.000 0.482 654 C N 0.859 119.858 119.300 -0.502 0.000 2.482 654 C HA 0.882 5.342 4.460 0.000 0.000 0.317 654 C C 0.022 174.786 174.990 -0.376 0.000 1.197 654 C CA -0.304 58.377 59.018 -0.560 0.000 1.432 654 C CB 0.751 27.788 27.740 -1.173 0.000 2.062 654 C HN 0.906 nan 8.230 nan 0.000 0.471 655 T N 3.817 118.248 114.554 -0.205 0.000 2.841 655 T HA 0.804 5.154 4.350 0.000 0.000 0.283 655 T C -0.394 174.273 174.700 -0.056 0.000 1.000 655 T CA 0.092 62.119 62.100 -0.122 0.000 0.977 655 T CB 1.219 70.021 68.868 -0.111 0.000 0.979 655 T HN 1.444 nan 8.240 nan 0.000 0.446 656 A N 3.037 125.854 122.820 -0.005 0.000 2.423 656 A HA 0.930 5.250 4.320 0.000 0.000 0.304 656 A C 0.596 178.233 177.584 0.088 0.000 1.104 656 A CA -0.399 51.676 52.037 0.064 0.000 0.757 656 A CB 1.395 20.451 19.000 0.093 0.000 1.313 656 A HN 1.084 nan 8.150 nan 0.000 0.423 657 G N -0.722 108.158 108.800 0.134 0.000 2.582 657 G HA2 0.401 4.362 3.960 0.000 0.000 0.232 657 G HA3 0.401 4.362 3.960 0.000 0.000 0.232 657 G C 0.352 175.352 174.900 0.167 0.000 1.458 657 G CA 0.220 45.416 45.100 0.161 0.000 1.062 657 G HN 0.773 nan 8.290 nan 0.000 0.566 658 E N 0.298 120.607 120.200 0.181 0.000 2.265 658 E HA -0.096 4.254 4.350 0.000 0.000 0.196 658 E C 1.332 178.057 176.600 0.207 0.000 0.996 658 E CA 0.819 57.337 56.400 0.197 0.000 0.832 658 E CB 0.060 29.865 29.700 0.176 0.000 0.756 658 E HN 0.288 nan 8.360 nan 0.000 0.491 659 N N 0.330 119.149 118.700 0.197 0.000 2.280 659 N HA 0.085 4.825 4.740 0.000 0.000 0.192 659 N C 0.719 176.348 175.510 0.199 0.000 1.109 659 N CA 0.798 53.964 53.050 0.193 0.000 0.855 659 N CB 1.058 39.659 38.487 0.190 0.000 0.974 659 N HN 0.169 nan 8.380 nan 0.000 0.482 660 G N 0.935 109.840 108.800 0.174 0.000 2.697 660 G HA2 -0.268 3.692 3.960 0.000 0.000 0.240 660 G HA3 -0.268 3.692 3.960 0.000 0.000 0.240 660 G C -0.884 174.097 174.900 0.134 0.000 1.346 660 G CA -0.043 45.107 45.100 0.084 0.000 0.887 660 G HN 0.623 nan 8.290 nan 0.000 0.569 661 H N -1.419 117.553 119.070 -0.164 0.000 3.129 661 H HA 0.595 5.151 4.556 0.000 0.000 0.342 661 H C -0.473 174.811 175.328 -0.072 0.000 1.092 661 H CA 0.325 56.312 56.048 -0.101 0.000 1.310 661 H CB 1.260 30.947 29.762 -0.125 0.000 1.932 661 H HN 0.713 nan 8.280 nan 0.000 0.507 662 T N 3.563 117.772 114.554 -0.575 0.000 2.744 662 T HA 0.408 4.758 4.350 0.000 0.000 0.291 662 T C -0.350 173.958 174.700 -0.654 0.000 0.957 662 T CA -0.429 61.467 62.100 -0.340 0.000 1.002 662 T CB 0.762 69.562 68.868 -0.113 0.000 0.919 662 T HN 0.511 nan 8.240 nan 0.000 0.468 663 S N 3.032 118.577 115.700 -0.259 0.000 2.472 663 S HA 0.482 4.953 4.470 0.000 0.000 0.303 663 S C -0.600 173.952 174.600 -0.080 0.000 1.099 663 S CA -0.919 57.214 58.200 -0.112 0.000 1.077 663 S CB 0.541 63.836 63.200 0.158 0.000 1.031 663 S HN 0.578 nan 8.310 nan 0.000 0.487 664 K N 3.836 124.197 120.400 -0.066 0.000 2.484 664 K HA 0.345 4.665 4.320 0.000 0.000 0.226 664 K C -1.271 175.281 176.600 -0.080 0.000 1.031 664 K CA -0.656 55.593 56.287 -0.063 0.000 1.026 664 K CB 0.820 33.288 32.500 -0.053 0.000 1.412 664 K HN 0.398 nan 8.250 nan 0.000 0.492 665 L N 2.591 123.743 121.223 -0.118 0.000 2.380 665 L HA 0.211 4.551 4.340 0.000 0.000 0.273 665 L C -0.450 176.217 176.870 -0.339 0.000 1.138 665 L CA -0.165 54.513 54.840 -0.270 0.000 0.832 665 L CB 1.416 43.240 42.059 -0.390 0.000 1.124 665 L HN 0.196 nan 8.230 nan 0.000 0.454 666 V N 5.441 125.123 119.914 -0.387 0.000 2.444 666 V HA 0.269 4.389 4.120 0.000 0.000 0.294 666 V C -0.165 175.661 176.094 -0.446 0.000 1.022 666 V CA -0.363 61.767 62.300 -0.283 0.000 0.850 666 V CB 1.247 32.991 31.823 -0.133 0.000 0.992 666 V HN 0.492 nan 8.190 nan 0.000 0.426 667 F N 2.930 122.702 119.950 -0.295 0.000 2.949 667 F HA 0.169 4.696 4.527 0.000 0.000 0.291 667 F C 1.562 176.894 175.800 -0.780 0.000 1.214 667 F CA -0.589 56.978 58.000 -0.723 0.000 1.381 667 F CB -0.054 38.545 39.000 -0.669 0.000 1.066 667 F HN 0.682 nan 8.300 nan 0.000 0.520 668 D N -0.590 119.595 120.400 -0.359 0.000 2.363 668 D HA -0.209 4.431 4.640 0.000 0.000 0.226 668 D C 1.568 177.730 176.300 -0.230 0.000 1.020 668 D CA 0.355 54.217 54.000 -0.231 0.000 0.892 668 D CB -0.939 39.803 40.800 -0.096 0.000 0.900 668 D HN 0.446 nan 8.370 nan 0.000 0.531 669 F N -0.085 119.709 119.950 -0.260 0.000 2.661 669 F HA 0.262 4.790 4.527 0.000 0.000 0.298 669 F C 0.802 176.345 175.800 -0.429 0.000 1.137 669 F CA -0.682 57.106 58.000 -0.353 0.000 1.454 669 F CB -0.672 37.997 39.000 -0.552 0.000 1.103 669 F HN -0.212 nan 8.300 nan 0.000 0.577 670 L N 0.971 121.707 121.223 -0.811 0.000 2.476 670 L HA 0.217 4.557 4.340 0.000 0.000 0.255 670 L C 0.627 177.454 176.870 -0.071 0.000 1.218 670 L CA -0.509 54.020 54.840 -0.519 0.000 0.819 670 L CB 0.246 41.844 42.059 -0.768 0.000 1.119 670 L HN -0.035 nan 8.230 nan 0.000 0.485 671 T N 1.476 116.143 114.554 0.188 0.000 2.794 671 T HA 0.233 4.583 4.350 0.000 0.000 0.296 671 T C -2.296 172.482 174.700 0.131 0.000 0.949 671 T CA -0.961 61.255 62.100 0.193 0.000 1.101 671 T CB 0.896 69.917 68.868 0.255 0.000 0.905 671 T HN 0.311 nan 8.240 nan 0.000 0.516 672 P HA 0.215 nan 4.420 nan 0.000 0.265 672 P C 1.060 178.385 177.300 0.042 0.000 1.193 672 P CA 0.734 63.860 63.100 0.043 0.000 0.765 672 P CB 0.308 32.025 31.700 0.029 0.000 0.823 673 G N 1.136 109.953 108.800 0.029 0.000 2.179 673 G HA2 -0.204 3.756 3.960 0.000 0.000 0.260 673 G HA3 -0.204 3.756 3.960 0.000 0.000 0.260 673 G C 0.106 175.001 174.900 -0.007 0.000 0.977 673 G CA -0.102 45.003 45.100 0.009 0.000 0.641 673 G HN 0.484 nan 8.290 nan 0.000 0.533 674 K N 0.539 120.943 120.400 0.007 0.000 2.098 674 K HA 0.599 4.919 4.320 0.000 0.000 0.258 674 K C 0.221 176.756 176.600 -0.107 0.000 0.973 674 K CA -0.490 55.737 56.287 -0.099 0.000 0.898 674 K CB 1.214 33.599 32.500 -0.191 0.000 1.057 674 K HN 0.270 nan 8.250 nan 0.000 0.447 675 Q N 1.610 121.275 119.800 -0.226 0.000 2.266 675 Q HA 0.423 4.763 4.340 0.000 0.000 0.261 675 Q C -0.821 174.990 176.000 -0.316 0.000 0.985 675 Q CA -0.537 55.184 55.803 -0.136 0.000 0.873 675 Q CB 1.341 30.023 28.738 -0.093 0.000 1.306 675 Q HN 0.465 nan 8.270 nan 0.000 0.447 676 Y N 0.346 120.606 120.300 -0.066 0.000 2.477 676 Y HA 0.375 4.925 4.550 0.000 0.000 0.347 676 Y C 0.046 175.904 175.900 -0.070 0.000 0.981 676 Y CA -1.087 56.978 58.100 -0.058 0.000 1.033 676 Y CB 1.679 40.092 38.460 -0.078 0.000 1.245 676 Y HN 0.379 nan 8.280 nan 0.000 0.455 677 I N 3.193 123.820 120.570 0.094 0.000 2.322 677 I HA 0.373 4.543 4.170 0.000 0.000 0.292 677 I C 0.210 176.356 176.117 0.049 0.000 1.060 677 I CA -0.244 61.084 61.300 0.046 0.000 1.309 677 I CB 0.008 38.029 38.000 0.035 0.000 1.415 677 I HN 0.652 nan 8.210 nan 0.000 0.492 678 A N 5.605 128.425 122.820 -0.001 0.000 2.317 678 A HA 0.784 5.104 4.320 0.000 0.000 0.327 678 A C -0.003 177.573 177.584 -0.013 0.000 1.178 678 A CA -0.405 51.617 52.037 -0.024 0.000 0.817 678 A CB 0.855 19.774 19.000 -0.134 0.000 1.189 678 A HN 0.656 nan 8.150 nan 0.000 0.489 679 T N 1.881 116.460 114.554 0.043 0.000 2.809 679 T HA 0.488 4.838 4.350 0.000 0.000 0.284 679 T C -0.622 174.063 174.700 -0.025 0.000 0.992 679 T CA -0.337 61.743 62.100 -0.033 0.000 0.957 679 T CB 1.243 70.102 68.868 -0.015 0.000 0.942 679 T HN 0.409 nan 8.240 nan 0.000 0.439 680 V N 4.492 124.327 119.914 -0.132 0.000 2.350 680 V HA 0.356 4.476 4.120 0.000 0.000 0.276 680 V C -1.030 174.988 176.094 -0.127 0.000 1.028 680 V CA -0.841 61.435 62.300 -0.040 0.000 0.860 680 V CB 0.211 32.009 31.823 -0.041 0.000 0.990 680 V HN 0.837 nan 8.190 nan 0.000 0.453 681 Y N 3.683 124.002 120.300 0.032 0.000 2.385 681 Y HA 0.729 5.280 4.550 0.000 0.000 0.341 681 Y C 0.485 176.429 175.900 0.074 0.000 0.965 681 Y CA -0.383 57.741 58.100 0.040 0.000 1.180 681 Y CB 1.440 39.867 38.460 -0.056 0.000 1.139 681 Y HN 0.713 nan 8.280 nan 0.000 0.502 682 A N 2.128 125.081 122.820 0.222 0.000 2.479 682 A HA 0.553 4.873 4.320 0.000 0.000 0.296 682 A C -1.077 176.633 177.584 0.210 0.000 1.121 682 A CA -1.035 51.127 52.037 0.208 0.000 0.743 682 A CB 1.027 20.097 19.000 0.117 0.000 1.323 682 A HN 0.581 nan 8.150 nan 0.000 0.415 683 D N 1.331 121.849 120.400 0.196 0.000 2.414 683 D HA 0.419 5.059 4.640 0.000 0.000 0.242 683 D C 0.782 177.170 176.300 0.146 0.000 1.129 683 D CA 0.839 54.944 54.000 0.175 0.000 0.885 683 D CB 1.291 42.188 40.800 0.162 0.000 1.198 683 D HN 0.737 nan 8.370 nan 0.000 0.437 684 A N 1.899 124.792 122.820 0.121 0.000 2.386 684 A HA 0.109 4.430 4.320 0.000 0.000 0.246 684 A C 1.447 179.083 177.584 0.087 0.000 1.089 684 A CA -0.166 51.917 52.037 0.077 0.000 0.790 684 A CB 0.365 19.388 19.000 0.038 0.000 1.042 684 A HN 0.493 nan 8.150 nan 0.000 0.497 685 K N -0.569 119.868 120.400 0.061 0.000 2.283 685 K HA -0.050 4.270 4.320 0.000 0.000 0.202 685 K C 0.106 176.742 176.600 0.059 0.000 1.048 685 K CA 1.758 58.082 56.287 0.061 0.000 0.948 685 K CB -0.438 32.076 32.500 0.024 0.000 0.742 685 K HN 0.693 nan 8.250 nan 0.000 0.458 686 D N 0.701 121.130 120.400 0.048 0.000 2.363 686 D HA 0.359 4.999 4.640 0.000 0.000 0.214 686 D C 0.375 176.705 176.300 0.050 0.000 1.093 686 D CA 0.382 54.406 54.000 0.039 0.000 0.837 686 D CB 0.505 41.318 40.800 0.021 0.000 0.948 686 D HN 0.582 nan 8.370 nan 0.000 0.507 687 A N 0.836 123.701 122.820 0.075 0.000 2.406 687 A HA 0.366 4.687 4.320 0.000 0.000 0.243 687 A C -0.019 177.612 177.584 0.078 0.000 1.082 687 A CA 0.142 52.229 52.037 0.082 0.000 0.786 687 A CB 0.448 19.515 19.000 0.111 0.000 1.029 687 A HN 0.115 nan 8.150 nan 0.000 0.495 688 D N -0.434 120.001 120.400 0.059 0.000 2.787 688 D HA 0.216 4.856 4.640 0.000 0.000 0.215 688 D C 0.803 177.110 176.300 0.011 0.000 1.246 688 D CA -0.437 53.573 54.000 0.017 0.000 0.798 688 D CB 0.314 41.068 40.800 -0.077 0.000 1.649 688 D HN 0.609 nan 8.370 nan 0.000 0.507 689 W N 4.223 125.553 121.300 0.050 0.000 2.342 689 W HA -0.063 4.597 4.660 0.000 0.000 0.297 689 W C 1.033 177.565 176.519 0.022 0.000 1.213 689 W CA 0.818 58.183 57.345 0.033 0.000 1.251 689 W CB -0.273 29.205 29.460 0.031 0.000 1.136 689 W HN 0.390 nan 8.180 nan 0.000 0.526 690 K N 0.333 120.113 120.400 -1.034 0.000 2.078 690 K HA -0.089 4.231 4.320 0.000 0.000 0.203 690 K C 2.071 178.442 176.600 -0.381 0.000 1.043 690 K CA 1.209 56.868 56.287 -1.047 0.000 0.960 690 K CB 0.030 31.563 32.500 -1.613 0.000 0.761 690 K HN -0.194 nan 8.250 nan 0.000 0.448 691 E N 0.193 120.209 120.200 -0.306 0.000 2.340 691 E HA -0.024 4.326 4.350 0.000 0.000 0.194 691 E C -0.044 176.537 176.600 -0.031 0.000 0.996 691 E CA 0.495 56.819 56.400 -0.128 0.000 0.869 691 E CB 0.363 29.990 29.700 -0.122 0.000 0.835 691 E HN 0.141 nan 8.360 nan 0.000 0.493 692 N N -0.107 118.582 118.700 -0.019 0.000 2.785 692 N HA 0.080 4.820 4.740 0.000 0.000 0.224 692 N C -2.443 173.106 175.510 0.064 0.000 1.448 692 N CA -0.883 52.191 53.050 0.039 0.000 0.748 692 N CB 1.017 39.520 38.487 0.027 0.000 1.385 692 N HN -0.214 nan 8.380 nan 0.000 0.538 693 P HA 0.050 nan 4.420 nan 0.000 0.230 693 P C 0.467 177.817 177.300 0.083 0.000 1.168 693 P CA 0.708 63.868 63.100 0.099 0.000 0.793 693 P CB 0.681 32.441 31.700 0.099 0.000 0.851 694 Q N -0.197 119.657 119.800 0.090 0.000 2.280 694 Q HA 0.299 4.639 4.340 0.000 0.000 0.201 694 Q C 0.547 176.635 176.000 0.148 0.000 0.890 694 Q CA -0.129 55.717 55.803 0.070 0.000 0.947 694 Q CB -0.191 28.594 28.738 0.078 0.000 1.081 694 Q HN 0.097 nan 8.270 nan 0.000 0.502 695 A N 1.123 124.009 122.820 0.110 0.000 2.343 695 A HA 0.481 4.801 4.320 0.000 0.000 0.305 695 A C -0.829 176.820 177.584 0.108 0.000 1.308 695 A CA -0.413 51.652 52.037 0.047 0.000 0.949 695 A CB -0.599 18.424 19.000 0.038 0.000 1.148 695 A HN 0.330 nan 8.150 nan 0.000 0.545 696 Y N 0.105 120.427 120.300 0.038 0.000 2.609 696 Y HA 0.841 5.391 4.550 0.000 0.000 0.342 696 Y C -0.060 175.872 175.900 0.053 0.000 1.058 696 Y CA -0.746 57.380 58.100 0.045 0.000 1.055 696 Y CB 1.146 39.624 38.460 0.030 0.000 1.292 696 Y HN 0.504 nan 8.280 nan 0.000 0.476 697 T N 0.134 114.815 114.554 0.212 0.000 2.893 697 T HA 0.805 5.155 4.350 0.000 0.000 0.291 697 T C -1.038 173.756 174.700 0.157 0.000 1.028 697 T CA -0.702 61.462 62.100 0.108 0.000 0.995 697 T CB 1.552 70.448 68.868 0.047 0.000 1.051 697 T HN 0.741 nan 8.240 nan 0.000 0.470 698 I N 1.808 122.418 120.570 0.067 0.000 2.447 698 I HA 0.454 4.624 4.170 0.000 0.000 0.287 698 I C -0.386 175.676 176.117 -0.091 0.000 1.023 698 I CA -0.896 60.362 61.300 -0.071 0.000 1.083 698 I CB 2.083 40.038 38.000 -0.074 0.000 1.245 698 I HN 0.530 nan 8.210 nan 0.000 0.434 699 K N 5.809 126.128 120.400 -0.134 0.000 2.397 699 K HA 0.520 4.840 4.320 0.000 0.000 0.253 699 K C -0.983 175.553 176.600 -0.107 0.000 0.932 699 K CA -0.928 55.304 56.287 -0.092 0.000 0.795 699 K CB 3.118 35.578 32.500 -0.066 0.000 1.159 699 K HN 0.417 nan 8.250 nan 0.000 0.424 700 K N 1.511 121.866 120.400 -0.074 0.000 2.292 700 K HA 0.634 4.954 4.320 0.000 0.000 0.257 700 K C -0.736 175.836 176.600 -0.046 0.000 0.940 700 K CA -0.525 55.726 56.287 -0.059 0.000 0.811 700 K CB 1.628 34.105 32.500 -0.039 0.000 1.120 700 K HN 0.829 nan 8.250 nan 0.000 0.428 701 G N 2.842 111.612 108.800 -0.049 0.000 2.650 701 G HA2 0.383 4.343 3.960 0.000 0.000 0.310 701 G HA3 0.383 4.343 3.960 0.000 0.000 0.310 701 G C -1.654 173.215 174.900 -0.052 0.000 1.270 701 G CA -0.662 44.408 45.100 -0.050 0.000 0.810 701 G HN 0.398 nan 8.290 nan 0.000 0.493 702 I N 0.931 121.466 120.570 -0.058 0.000 2.441 702 I HA 0.568 4.738 4.170 0.000 0.000 0.295 702 I C -0.419 175.642 176.117 -0.093 0.000 0.994 702 I CA -0.445 60.825 61.300 -0.051 0.000 1.144 702 I CB 1.218 39.196 38.000 -0.037 0.000 1.314 702 I HN 0.275 nan 8.210 nan 0.000 0.445 703 L N 4.732 125.897 121.223 -0.097 0.000 2.370 703 L HA 0.655 4.995 4.340 0.000 0.000 0.266 703 L C 0.166 176.997 176.870 -0.064 0.000 1.002 703 L CA -0.443 54.274 54.840 -0.205 0.000 0.818 703 L CB 2.487 44.250 42.059 -0.494 0.000 1.325 703 L HN 0.718 nan 8.230 nan 0.000 0.418 704 T N -3.270 111.220 114.554 -0.106 0.000 2.831 704 T HA 0.203 4.553 4.350 0.000 0.000 0.287 704 T C 0.568 175.192 174.700 -0.126 0.000 1.070 704 T CA -0.711 61.378 62.100 -0.018 0.000 1.010 704 T CB 1.234 70.102 68.868 -0.000 0.000 1.264 704 T HN 0.613 nan 8.240 nan 0.000 0.532 705 N N 0.190 118.834 118.700 -0.093 0.000 2.609 705 N HA -0.075 4.665 4.740 0.000 0.000 0.190 705 N C 0.743 176.199 175.510 -0.090 0.000 1.157 705 N CA 0.376 53.339 53.050 -0.146 0.000 0.918 705 N CB -0.260 38.160 38.487 -0.112 0.000 0.978 705 N HN 0.446 nan 8.380 nan 0.000 0.448 706 K N -0.017 120.349 120.400 -0.057 0.000 2.374 706 K HA 0.212 4.532 4.320 0.000 0.000 0.196 706 K C 0.149 176.737 176.600 -0.019 0.000 1.023 706 K CA -0.061 56.205 56.287 -0.035 0.000 1.103 706 K CB 0.416 32.901 32.500 -0.026 0.000 0.848 706 K HN 0.082 nan 8.250 nan 0.000 0.528 707 S N 1.451 117.140 115.700 -0.019 0.000 2.603 707 S HA 0.277 4.748 4.470 0.000 0.000 0.268 707 S C 0.022 174.719 174.600 0.162 0.000 1.317 707 S CA -0.110 58.099 58.200 0.016 0.000 1.012 707 S CB 1.087 64.219 63.200 -0.114 0.000 0.926 707 S HN 0.052 nan 8.310 nan 0.000 0.539 708 K N 1.004 121.486 120.400 0.137 0.000 2.502 708 K HA 0.598 4.918 4.320 0.000 0.000 0.257 708 K C -1.548 175.139 176.600 0.145 0.000 0.938 708 K CA -0.514 55.859 56.287 0.143 0.000 0.819 708 K CB 1.740 34.261 32.500 0.035 0.000 1.333 708 K HN 0.402 nan 8.250 nan 0.000 0.434 709 L N 2.241 123.557 121.223 0.155 0.000 2.436 709 L HA 0.433 4.773 4.340 0.000 0.000 0.268 709 L C -1.068 175.798 176.870 -0.006 0.000 0.974 709 L CA -1.134 53.757 54.840 0.086 0.000 0.826 709 L CB 2.032 44.187 42.059 0.159 0.000 1.291 709 L HN 0.520 nan 8.230 nan 0.000 0.406 710 N N 4.400 123.081 118.700 -0.032 0.000 2.422 710 N HA 0.671 5.411 4.740 0.000 0.000 0.266 710 N C -1.030 174.433 175.510 -0.078 0.000 1.007 710 N CA -0.182 52.835 53.050 -0.054 0.000 0.941 710 N CB 1.809 40.272 38.487 -0.040 0.000 1.115 710 N HN 0.409 nan 8.380 nan 0.000 0.492 711 L N 1.231 122.386 121.223 -0.113 0.000 2.388 711 L HA 0.417 4.757 4.340 0.000 0.000 0.264 711 L C -0.706 176.175 176.870 0.017 0.000 0.998 711 L CA -0.910 53.840 54.840 -0.151 0.000 0.817 711 L CB 2.145 43.868 42.059 -0.561 0.000 1.338 711 L HN 0.520 nan 8.230 nan 0.000 0.414 712 H N 1.483 120.550 119.070 -0.006 0.000 2.589 712 H HA 0.664 5.220 4.556 0.000 0.000 0.335 712 H C -0.671 174.760 175.328 0.172 0.000 1.019 712 H CA -0.400 55.684 56.048 0.060 0.000 1.213 712 H CB 1.721 31.497 29.762 0.024 0.000 1.472 712 H HN 0.689 nan 8.280 nan 0.000 0.508 713 A N 4.279 126.957 122.820 -0.237 0.000 2.362 713 A HA 0.644 4.964 4.320 0.000 0.000 0.276 713 A C 0.405 177.744 177.584 -0.407 0.000 1.153 713 A CA 0.019 51.967 52.037 -0.148 0.000 0.813 713 A CB -0.229 18.766 19.000 -0.008 0.000 1.081 713 A HN 0.949 nan 8.150 nan 0.000 0.507 714 A N 2.712 125.486 122.820 -0.077 0.000 2.325 714 A HA 0.381 4.701 4.320 0.000 0.000 0.260 714 A C 0.754 178.401 177.584 0.105 0.000 1.133 714 A CA -0.247 51.829 52.037 0.065 0.000 0.801 714 A CB -0.178 18.911 19.000 0.148 0.000 1.092 714 A HN 0.985 nan 8.150 nan 0.000 0.504 715 N N 0.024 118.836 118.700 0.187 0.000 2.414 715 N HA 0.268 5.008 4.740 0.000 0.000 0.268 715 N C 1.011 176.745 175.510 0.374 0.000 1.286 715 N CA 1.720 54.927 53.050 0.262 0.000 0.896 715 N CB -0.235 38.414 38.487 0.269 0.000 1.093 715 N HN 1.516 nan 8.380 nan 0.000 0.480 716 G N 1.764 110.730 108.800 0.277 0.000 2.179 716 G HA2 -0.174 3.787 3.960 0.000 0.000 0.257 716 G HA3 -0.174 3.787 3.960 0.000 0.000 0.257 716 G C 0.467 175.471 174.900 0.173 0.000 1.010 716 G CA 0.425 45.639 45.100 0.191 0.000 0.736 716 G HN 0.931 nan 8.290 nan 0.000 0.513 717 G N -1.660 107.221 108.800 0.136 0.000 2.971 717 G HA2 1.049 5.009 3.960 0.000 0.000 0.235 717 G HA3 1.049 5.009 3.960 0.000 0.000 0.235 717 G C 0.360 175.281 174.900 0.036 0.000 1.351 717 G CA 0.174 45.333 45.100 0.097 0.000 1.039 717 G HN 1.653 nan 8.290 nan 0.000 0.563 718 G N -2.264 106.555 108.800 0.031 0.000 2.325 718 G HA2 0.621 4.581 3.960 0.000 0.000 0.295 718 G HA3 0.621 4.581 3.960 0.000 0.000 0.295 718 G C -1.766 173.148 174.900 0.024 0.000 1.274 718 G CA 0.101 45.157 45.100 -0.073 0.000 0.857 718 G HN 1.667 nan 8.290 nan 0.000 0.499 719 Y N -2.592 117.718 120.300 0.016 0.000 2.656 719 Y HA 0.886 5.436 4.550 0.000 0.000 0.334 719 Y C -0.391 175.476 175.900 -0.055 0.000 1.179 719 Y CA -1.386 56.718 58.100 0.007 0.000 1.050 719 Y CB 1.104 39.589 38.460 0.043 0.000 1.308 719 Y HN 1.645 nan 8.280 nan 0.000 0.456 720 A N 1.947 124.832 122.820 0.108 0.000 2.475 720 A HA 0.906 5.226 4.320 0.000 0.000 0.301 720 A C -1.663 175.926 177.584 0.009 0.000 1.059 720 A CA -0.914 50.992 52.037 -0.220 0.000 0.710 720 A CB 1.232 19.544 19.000 -1.146 0.000 1.288 720 A HN 0.759 nan 8.150 nan 0.000 0.408 721 I N 1.579 122.235 120.570 0.144 0.000 2.534 721 I HA 0.377 4.547 4.170 0.000 0.000 0.288 721 I C 0.108 176.530 176.117 0.510 0.000 1.077 721 I CA -0.564 60.936 61.300 0.334 0.000 1.051 721 I CB 2.482 40.660 38.000 0.297 0.000 1.234 721 I HN 0.663 nan 8.210 nan 0.000 0.425 722 S N 6.599 122.621 115.700 0.537 0.000 2.489 722 S HA 0.785 5.256 4.470 0.000 0.000 0.291 722 S C -0.566 174.062 174.600 0.048 0.000 1.151 722 S CA -0.614 57.730 58.200 0.241 0.000 1.082 722 S CB 1.459 64.891 63.200 0.387 0.000 1.019 722 S HN 0.527 nan 8.310 nan 0.000 0.492 723 I N 2.324 122.823 120.570 -0.117 0.000 2.583 723 I HA 0.325 4.495 4.170 0.000 0.000 0.276 723 I C -0.514 175.679 176.117 0.128 0.000 1.089 723 I CA -0.437 60.868 61.300 0.008 0.000 1.103 723 I CB 1.197 39.181 38.000 -0.026 0.000 1.209 723 I HN 0.529 nan 8.210 nan 0.000 0.484 724 K N 4.799 125.297 120.400 0.162 0.000 2.206 724 K HA 0.355 4.675 4.320 0.000 0.000 0.264 724 K C -0.166 176.549 176.600 0.191 0.000 0.967 724 K CA -0.719 55.673 56.287 0.175 0.000 0.844 724 K CB 2.360 34.914 32.500 0.090 0.000 1.099 724 K HN 0.464 nan 8.250 nan 0.000 0.441 725 E N 2.740 123.012 120.200 0.119 0.000 2.414 725 E HA 0.005 4.355 4.350 0.000 0.000 0.263 725 E C -0.027 176.479 176.600 -0.157 0.000 1.000 725 E CA -0.258 55.990 56.400 -0.252 0.000 0.914 725 E CB 0.806 30.363 29.700 -0.239 0.000 0.948 725 E HN 0.211 nan 8.360 nan 0.000 0.444 726 V N 0.000 119.787 119.914 -0.212 0.000 2.409 726 V HA 0.000 4.120 4.120 0.000 0.000 0.244 726 V CA 0.000 62.231 62.300 -0.116 0.000 1.235 726 V CB 0.000 31.754 31.823 -0.115 0.000 1.184 726 V HN 0.000 nan 8.190 nan 0.000 0.556