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 2w77_1_A DATA FIRST_RESID 44 DATA SEQUENCE QEVEFDIPPQ ALGSALQEFG RQADIQVLYR PEEVRNKRSS AIKGKLEPNQ DATA SEQUENCE AITELLRGTG ASVDFQGNAI TISVAEAADS SVDLGATMIT SNQLGTITED DATA SEQUENCE SGSYTPGTIA TATRLVLTPR ETPQSITVVT RQNMDDFGLN NIDDVMRHTP DATA SEQUENCE GITVSAYDTD RNNYYARGFS INNFQYDGIP STARNVGYSA GNTLSDMAIY DATA SEQUENCE DRVEVLKGAT GLLTGAGSLG ATINLIRKKP THEFKGHVEL GAGSWDNYRS DATA SEQUENCE ELDVSGPLTE SGNVRGRAVA AYQDKHSFMD HYERKTSVYY GILEFDLNPD DATA SEQUENCE TMLTVGADYQ DNDPKGSGWS GSFPLFDSQG NRNDVSRSFN NGAKWSSWEQ DATA SEQUENCE YTRTVFANLE HNFANGWVGK VQLDHKINGY HAPLGAIMGD WPAPDNSAKI DATA SEQUENCE VAQKYTGETK SNSLDIYLTG PFQFLGREHE LVVGTSASFS HWEGKSYWNL DATA SEQUENCE RNYDNTTDDF INWDGDIGKP DWGTPSQYID DKTRQLGSYM TARFNVTDDL DATA SEQUENCE NLFLGGRVVD YRVTGLNPTI RESGRFIPYV GAVYDLNDTY SVYASYTDIF DATA SEQUENCE MPQDSWYRDS SNKLLEPDEG QNYEIGIKGE YLDGRLNTSL AYFEIHEENR DATA SEQUENCE AEEDALYNSK PTNPAITYAY KGIKAKTKGY EAEISGELAP GWQVQAGYTH DATA SEQUENCE KIIRDDSGKK VSTWEPQDQL SLYTSYKFKG ALDKLTVGGG ARWQGKSWQM DATA SEQUENCE VYNNPRSRWE KFSQEDYWLV DLMARYQITD KLSASVNVNN VFDKTYYTNI DATA SEQUENCE GFYTSASYGD PRNLMFSTRW DF 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 44 Q HA 0.000 nan 4.340 nan 0.000 0.214 44 Q C 0.000 176.038 176.000 0.063 0.000 1.003 44 Q CA 0.000 55.835 55.803 0.053 0.000 1.022 44 Q CB 0.000 28.764 28.738 0.044 0.000 1.108 45 E N 0.764 121.001 120.200 0.062 0.000 2.652 45 E HA 0.168 4.510 4.350 -0.014 0.000 0.255 45 E C -1.179 175.442 176.600 0.036 0.000 0.952 45 E CA 0.369 56.810 56.400 0.069 0.000 0.947 45 E CB 0.570 30.307 29.700 0.061 0.000 0.912 45 E HN 0.290 nan 8.360 nan 0.000 0.489 46 V N 3.698 123.626 119.914 0.024 0.000 3.040 46 V HA 0.214 4.326 4.120 -0.014 0.000 0.312 46 V C -0.670 175.300 176.094 -0.207 0.000 1.115 46 V CA -0.880 61.327 62.300 -0.155 0.000 0.998 46 V CB 2.146 33.745 31.823 -0.373 0.000 1.042 46 V HN 0.664 nan 8.190 nan 0.000 0.433 47 E N 1.655 121.670 120.200 -0.307 0.000 2.089 47 E HA 0.512 4.853 4.350 -0.014 0.000 0.284 47 E C -1.584 174.819 176.600 -0.327 0.000 1.023 47 E CA 0.128 56.413 56.400 -0.193 0.000 0.819 47 E CB 0.462 30.098 29.700 -0.106 0.000 1.076 47 E HN 0.359 nan 8.360 nan 0.000 0.396 48 F N 2.326 122.267 119.950 -0.015 0.000 2.522 48 F HA 0.391 4.910 4.527 -0.013 0.000 0.324 48 F C -0.180 175.621 175.800 0.002 0.000 1.077 48 F CA -0.903 57.084 58.000 -0.022 0.000 0.944 48 F CB 1.956 40.960 39.000 0.007 0.000 1.175 48 F HN 0.302 nan 8.300 nan 0.000 0.468 49 D N 3.091 123.637 120.400 0.242 0.000 2.752 49 D HA 0.322 4.954 4.640 -0.014 0.000 0.242 49 D C -1.448 174.929 176.300 0.128 0.000 1.295 49 D CA 0.093 54.178 54.000 0.142 0.000 0.846 49 D CB 0.077 40.929 40.800 0.087 0.000 1.454 49 D HN 0.357 nan 8.370 nan 0.000 0.535 50 I N 3.567 124.213 120.570 0.126 0.000 2.411 50 I HA 0.394 4.556 4.170 -0.014 0.000 0.284 50 I C -2.227 173.923 176.117 0.056 0.000 1.012 50 I CA -1.846 59.511 61.300 0.094 0.000 1.119 50 I CB 2.143 40.216 38.000 0.121 0.000 1.261 50 I HN 0.058 nan 8.210 nan 0.000 0.448 51 P HA 0.349 nan 4.420 nan 0.000 0.281 51 P C -2.636 174.675 177.300 0.018 0.000 1.249 51 P CA -2.188 60.929 63.100 0.029 0.000 0.810 51 P CB -0.035 31.683 31.700 0.030 0.000 1.008 52 P HA -0.011 nan 4.420 nan 0.000 0.261 52 P C -0.317 176.985 177.300 0.003 0.000 1.173 52 P CA 0.921 64.021 63.100 0.000 0.000 0.760 52 P CB 0.056 31.756 31.700 -0.000 0.000 0.783 53 Q N 1.824 121.622 119.800 -0.003 0.000 2.832 53 Q HA 0.703 5.035 4.340 -0.014 0.000 0.331 53 Q C -1.098 174.896 176.000 -0.009 0.000 0.833 53 Q CA -1.391 54.412 55.803 0.001 0.000 0.794 53 Q CB 0.588 29.330 28.738 0.007 0.000 1.387 53 Q HN 0.276 nan 8.270 nan 0.000 0.508 54 A N 0.946 123.765 122.820 -0.002 0.000 2.567 54 A HA 0.098 4.410 4.320 -0.014 0.000 0.240 54 A C 0.847 178.405 177.584 -0.044 0.000 1.053 54 A CA -0.263 51.769 52.037 -0.008 0.000 0.755 54 A CB -0.042 18.967 19.000 0.015 0.000 0.978 54 A HN 0.685 nan 8.150 nan 0.000 0.507 55 L N 3.999 125.181 121.223 -0.069 0.000 2.051 55 L HA -0.171 4.161 4.340 -0.014 0.000 0.214 55 L C 2.353 179.091 176.870 -0.220 0.000 1.076 55 L CA 2.857 57.615 54.840 -0.136 0.000 0.758 55 L CB -1.352 40.622 42.059 -0.141 0.000 0.890 55 L HN 0.879 nan 8.230 nan 0.000 0.433 56 G N -1.588 107.102 108.800 -0.184 0.000 2.586 56 G HA2 -0.345 3.607 3.960 -0.014 0.000 0.218 56 G HA3 -0.345 3.607 3.960 -0.014 0.000 0.218 56 G C 1.553 176.395 174.900 -0.097 0.000 1.216 56 G CA 1.282 46.270 45.100 -0.186 0.000 0.786 56 G HN 0.521 nan 8.290 nan 0.000 0.583 57 S N 1.415 117.103 115.700 -0.020 0.000 2.374 57 S HA -0.121 4.341 4.470 -0.014 0.000 0.227 57 S C 2.764 177.363 174.600 -0.002 0.000 1.037 57 S CA 1.551 59.754 58.200 0.006 0.000 1.024 57 S CB -0.618 62.590 63.200 0.013 0.000 0.861 57 S HN 0.691 nan 8.310 nan 0.000 0.456 58 A N 1.456 124.256 122.820 -0.033 0.000 1.908 58 A HA -0.046 4.266 4.320 -0.014 0.000 0.218 58 A C 2.186 179.772 177.584 0.004 0.000 1.181 58 A CA 1.323 53.351 52.037 -0.016 0.000 0.627 58 A CB -0.740 18.224 19.000 -0.060 0.000 0.818 58 A HN 0.458 nan 8.150 nan 0.000 0.445 59 L N -1.658 119.503 121.223 -0.104 0.000 2.044 59 L HA -0.189 4.142 4.340 -0.014 0.000 0.205 59 L C 2.874 179.799 176.870 0.091 0.000 1.075 59 L CA 1.582 56.364 54.840 -0.096 0.000 0.747 59 L CB -0.484 41.312 42.059 -0.438 0.000 0.903 59 L HN 0.405 nan 8.230 nan 0.000 0.435 60 Q N 0.326 120.177 119.800 0.084 0.000 2.061 60 Q HA -0.276 4.056 4.340 -0.014 0.000 0.204 60 Q C 2.069 178.144 176.000 0.125 0.000 0.984 60 Q CA 1.912 57.800 55.803 0.140 0.000 0.846 60 Q CB -0.039 28.770 28.738 0.120 0.000 0.902 60 Q HN 0.349 nan 8.270 nan 0.000 0.421 61 E N -1.312 118.952 120.200 0.107 0.000 2.106 61 E HA -0.171 4.170 4.350 -0.014 0.000 0.192 61 E C 1.540 178.219 176.600 0.132 0.000 0.984 61 E CA 0.875 57.334 56.400 0.099 0.000 0.806 61 E CB -0.169 29.583 29.700 0.087 0.000 0.750 61 E HN 0.413 nan 8.360 nan 0.000 0.458 62 F N 0.305 120.282 119.950 0.044 0.000 2.113 62 F HA -0.045 4.474 4.527 -0.013 0.000 0.297 62 F C 2.042 177.903 175.800 0.103 0.000 1.103 62 F CA 1.842 59.894 58.000 0.086 0.000 1.248 62 F CB -0.617 38.395 39.000 0.019 0.000 0.999 62 F HN 0.049 nan 8.300 nan 0.000 0.475 63 G N 0.044 108.988 108.800 0.240 0.000 2.440 63 G HA2 -0.309 3.643 3.960 -0.014 0.000 0.218 63 G HA3 -0.309 3.643 3.960 -0.014 0.000 0.218 63 G C 1.818 176.720 174.900 0.004 0.000 1.154 63 G CA 0.874 46.059 45.100 0.140 0.000 0.767 63 G HN 0.332 nan 8.290 nan 0.000 0.552 64 R N -0.247 120.260 120.500 0.012 0.000 2.070 64 R HA -0.058 4.274 4.340 -0.014 0.000 0.233 64 R C 2.735 178.905 176.300 -0.217 0.000 1.137 64 R CA 1.784 57.881 56.100 -0.005 0.000 0.945 64 R CB -0.296 30.032 30.300 0.047 0.000 0.845 64 R HN 0.391 nan 8.270 nan 0.000 0.430 65 Q N -1.271 118.319 119.800 -0.351 0.000 2.291 65 Q HA -0.046 4.286 4.340 -0.014 0.000 0.205 65 Q C 1.245 176.735 176.000 -0.849 0.000 0.970 65 Q CA 1.366 56.725 55.803 -0.739 0.000 0.876 65 Q CB 0.306 28.814 28.738 -0.383 0.000 0.935 65 Q HN 0.407 nan 8.270 nan 0.000 0.455 66 A N -0.273 122.217 122.820 -0.550 0.000 2.390 66 A HA 0.076 4.388 4.320 -0.014 0.000 0.232 66 A C -0.303 177.170 177.584 -0.185 0.000 1.233 66 A CA 0.077 51.854 52.037 -0.434 0.000 0.907 66 A CB 0.555 19.237 19.000 -0.531 0.000 0.967 66 A HN 0.308 nan 8.150 nan 0.000 0.512 67 D N -0.968 119.367 120.400 -0.110 0.000 2.772 67 D HA -0.157 4.475 4.640 -0.014 0.000 0.233 67 D C -0.299 176.024 176.300 0.039 0.000 1.143 67 D CA 1.145 55.157 54.000 0.020 0.000 0.700 67 D CB -1.449 39.384 40.800 0.055 0.000 1.076 67 D HN 0.535 nan 8.370 nan 0.000 0.430 68 I N 0.199 120.796 120.570 0.046 0.000 2.647 68 I HA 0.130 4.292 4.170 -0.014 0.000 0.295 68 I C 0.275 176.463 176.117 0.119 0.000 1.078 68 I CA -0.721 60.639 61.300 0.101 0.000 1.048 68 I CB 2.314 40.408 38.000 0.156 0.000 1.239 68 I HN -0.188 nan 8.210 nan 0.000 0.421 69 Q N 4.613 124.478 119.800 0.109 0.000 2.286 69 Q HA 0.435 4.767 4.340 -0.014 0.000 0.257 69 Q C -1.498 174.575 176.000 0.121 0.000 0.941 69 Q CA -0.414 55.453 55.803 0.106 0.000 0.912 69 Q CB 1.407 30.191 28.738 0.076 0.000 1.192 69 Q HN 0.440 nan 8.270 nan 0.000 0.410 70 V N 6.208 126.212 119.914 0.149 0.000 2.384 70 V HA 0.391 4.503 4.120 -0.014 0.000 0.287 70 V C -0.261 175.932 176.094 0.164 0.000 1.020 70 V CA -0.629 61.771 62.300 0.167 0.000 0.850 70 V CB 1.243 33.203 31.823 0.230 0.000 0.987 70 V HN 0.672 nan 8.190 nan 0.000 0.436 71 L N 6.375 127.660 121.223 0.102 0.000 2.325 71 L HA 0.818 5.150 4.340 -0.014 0.000 0.278 71 L C -0.721 176.209 176.870 0.101 0.000 1.023 71 L CA -0.755 54.101 54.840 0.027 0.000 0.811 71 L CB 1.520 43.564 42.059 -0.025 0.000 1.249 71 L HN 0.804 nan 8.230 nan 0.000 0.431 72 Y N -0.254 120.023 120.300 -0.039 0.000 2.638 72 Y HA 0.523 5.065 4.550 -0.014 0.000 0.334 72 Y C -1.455 174.419 175.900 -0.043 0.000 1.182 72 Y CA -1.550 56.523 58.100 -0.046 0.000 1.102 72 Y CB 1.135 39.567 38.460 -0.046 0.000 1.343 72 Y HN 0.408 nan 8.280 nan 0.000 0.463 73 R N 4.028 124.590 120.500 0.103 0.000 2.207 73 R HA 0.317 4.648 4.340 -0.014 0.000 0.334 73 R C -2.026 174.333 176.300 0.100 0.000 1.013 73 R CA -1.826 54.279 56.100 0.008 0.000 0.858 73 R CB 1.163 31.461 30.300 -0.004 0.000 1.094 73 R HN 0.500 nan 8.270 nan 0.000 0.457 74 P HA -0.304 nan 4.420 nan 0.000 0.215 74 P C 0.937 178.293 177.300 0.092 0.000 1.163 74 P CA 1.553 64.717 63.100 0.106 0.000 0.894 74 P CB 0.222 31.937 31.700 0.025 0.000 0.791 75 E N 0.558 120.780 120.200 0.036 0.000 2.347 75 E HA -0.175 4.167 4.350 -0.014 0.000 0.196 75 E C 1.636 178.254 176.600 0.030 0.000 1.008 75 E CA 1.068 57.484 56.400 0.027 0.000 0.852 75 E CB -0.553 29.144 29.700 -0.005 0.000 0.783 75 E HN 0.368 nan 8.360 nan 0.000 0.505 76 E N 0.532 120.756 120.200 0.040 0.000 2.086 76 E HA -0.067 4.275 4.350 -0.014 0.000 0.190 76 E C 2.171 178.788 176.600 0.028 0.000 0.975 76 E CA 1.259 57.676 56.400 0.029 0.000 0.813 76 E CB 0.309 30.026 29.700 0.028 0.000 0.768 76 E HN 0.298 nan 8.360 nan 0.000 0.457 77 V N -0.453 119.492 119.914 0.050 0.000 3.541 77 V HA 0.117 4.228 4.120 -0.014 0.000 0.267 77 V C 1.021 177.123 176.094 0.015 0.000 1.213 77 V CA 0.010 62.314 62.300 0.007 0.000 1.149 77 V CB -0.541 31.253 31.823 -0.048 0.000 0.822 77 V HN -0.001 nan 8.190 nan 0.000 0.462 78 R N 1.689 122.215 120.500 0.043 0.000 2.537 78 R HA 0.024 4.356 4.340 -0.014 0.000 0.281 78 R C 0.717 177.033 176.300 0.025 0.000 0.988 78 R CA 1.338 57.465 56.100 0.045 0.000 1.077 78 R CB -0.608 29.724 30.300 0.054 0.000 0.932 78 R HN 0.751 nan 8.270 nan 0.000 0.409 79 N N 0.990 119.704 118.700 0.024 0.000 2.776 79 N HA -0.234 4.497 4.740 -0.014 0.000 0.250 79 N C -1.181 174.331 175.510 0.003 0.000 1.112 79 N CA 1.026 54.085 53.050 0.015 0.000 0.733 79 N CB -0.467 38.031 38.487 0.018 0.000 1.097 79 N HN 0.562 nan 8.380 nan 0.000 0.558 80 K N 0.501 120.896 120.400 -0.007 0.000 2.258 80 K HA 0.572 4.884 4.320 -0.014 0.000 0.236 80 K C -0.169 176.414 176.600 -0.028 0.000 1.008 80 K CA -0.793 55.481 56.287 -0.022 0.000 0.869 80 K CB 1.313 33.793 32.500 -0.033 0.000 1.171 80 K HN 0.120 nan 8.250 nan 0.000 0.447 81 R N -0.426 120.053 120.500 -0.034 0.000 2.686 81 R HA 0.426 4.758 4.340 -0.014 0.000 0.283 81 R C -0.987 175.285 176.300 -0.047 0.000 0.978 81 R CA -0.911 55.170 56.100 -0.032 0.000 0.897 81 R CB 1.577 31.864 30.300 -0.021 0.000 1.192 81 R HN 0.645 nan 8.270 nan 0.000 0.457 82 S N 0.951 116.622 115.700 -0.048 0.000 2.617 82 S HA 0.438 4.900 4.470 -0.014 0.000 0.283 82 S C -0.007 174.566 174.600 -0.044 0.000 1.189 82 S CA -0.866 57.298 58.200 -0.060 0.000 1.036 82 S CB 1.562 64.723 63.200 -0.065 0.000 1.014 82 S HN 0.618 nan 8.310 nan 0.000 0.522 83 S N 1.273 116.943 115.700 -0.050 0.000 2.610 83 S HA 0.653 5.114 4.470 -0.014 0.000 0.273 83 S C 0.425 175.008 174.600 -0.029 0.000 1.274 83 S CA -0.745 57.434 58.200 -0.035 0.000 1.023 83 S CB 0.782 63.961 63.200 -0.035 0.000 0.962 83 S HN 1.153 nan 8.310 nan 0.000 0.523 84 A N 1.964 124.776 122.820 -0.014 0.000 2.540 84 A HA 0.440 4.751 4.320 -0.014 0.000 0.239 84 A C 0.173 177.753 177.584 -0.006 0.000 1.061 84 A CA -0.242 51.794 52.037 -0.002 0.000 0.758 84 A CB -0.778 18.226 19.000 0.006 0.000 0.991 84 A HN 0.854 nan 8.150 nan 0.000 0.502 85 I N -0.938 119.635 120.570 0.004 0.000 2.582 85 I HA 0.826 4.987 4.170 -0.014 0.000 0.292 85 I C -0.595 175.553 176.117 0.053 0.000 1.066 85 I CA -1.100 60.203 61.300 0.004 0.000 1.053 85 I CB 2.417 40.383 38.000 -0.056 0.000 1.241 85 I HN 0.339 nan 8.210 nan 0.000 0.421 86 K N 3.708 124.147 120.400 0.065 0.000 2.652 86 K HA 0.802 5.114 4.320 -0.014 0.000 0.249 86 K C -0.405 176.257 176.600 0.104 0.000 0.986 86 K CA 0.380 56.719 56.287 0.087 0.000 0.867 86 K CB 1.518 34.053 32.500 0.057 0.000 1.201 86 K HN 1.237 nan 8.250 nan 0.000 0.450 87 G N 2.104 110.992 108.800 0.147 0.000 2.373 87 G HA2 -0.110 3.842 3.960 -0.014 0.000 0.634 87 G HA3 -0.110 3.842 3.960 -0.014 0.000 0.634 87 G C -1.384 173.615 174.900 0.164 0.000 1.267 87 G CA -1.101 44.074 45.100 0.126 0.000 1.008 87 G HN 0.454 nan 8.290 nan 0.000 0.497 88 K N 0.354 120.818 120.400 0.107 0.000 2.395 88 K HA 0.420 4.732 4.320 -0.014 0.000 0.283 88 K C -0.190 176.495 176.600 0.142 0.000 1.068 88 K CA 0.480 56.828 56.287 0.101 0.000 1.039 88 K CB -0.461 32.075 32.500 0.060 0.000 0.924 88 K HN 0.436 nan 8.250 nan 0.000 0.468 89 L N 2.438 123.794 121.223 0.222 0.000 2.465 89 L HA 0.340 4.671 4.340 -0.014 0.000 0.257 89 L C -0.303 176.722 176.870 0.259 0.000 0.988 89 L CA -1.080 53.891 54.840 0.220 0.000 0.827 89 L CB 1.943 44.131 42.059 0.215 0.000 1.397 89 L HN 0.472 nan 8.230 nan 0.000 0.410 90 E N 2.028 122.336 120.200 0.180 0.000 2.398 90 E HA 0.082 4.424 4.350 -0.014 0.000 0.263 90 E C -1.660 175.092 176.600 0.254 0.000 1.046 90 E CA -1.514 54.993 56.400 0.178 0.000 0.908 90 E CB 1.055 30.815 29.700 0.100 0.000 0.963 90 E HN 0.325 nan 8.360 nan 0.000 0.431 91 P HA -0.139 nan 4.420 nan 0.000 0.226 91 P C 0.621 178.162 177.300 0.402 0.000 1.153 91 P CA 1.051 64.418 63.100 0.445 0.000 0.777 91 P CB 0.136 32.076 31.700 0.399 0.000 0.794 92 N N -0.456 118.396 118.700 0.254 0.000 2.409 92 N HA -0.053 4.679 4.740 -0.014 0.000 0.174 92 N C 1.622 177.205 175.510 0.122 0.000 1.037 92 N CA 0.506 53.689 53.050 0.222 0.000 0.898 92 N CB -0.589 37.846 38.487 -0.087 0.000 1.010 92 N HN 0.164 nan 8.380 nan 0.000 0.445 93 Q N 0.899 120.745 119.800 0.076 0.000 2.016 93 Q HA 0.068 4.400 4.340 -0.014 0.000 0.200 93 Q C 2.295 178.302 176.000 0.011 0.000 0.978 93 Q CA 1.923 57.749 55.803 0.039 0.000 0.833 93 Q CB -0.246 28.514 28.738 0.036 0.000 0.895 93 Q HN 0.514 nan 8.270 nan 0.000 0.427 94 A N 0.800 123.621 122.820 0.002 0.000 1.915 94 A HA -0.259 4.053 4.320 -0.014 0.000 0.220 94 A C 2.026 179.504 177.584 -0.176 0.000 1.198 94 A CA 1.808 53.755 52.037 -0.150 0.000 0.647 94 A CB -0.690 18.041 19.000 -0.448 0.000 0.825 94 A HN 0.451 nan 8.150 nan 0.000 0.456 95 I N -0.005 120.473 120.570 -0.153 0.000 2.406 95 I HA -0.135 4.027 4.170 -0.014 0.000 0.249 95 I C 2.601 178.577 176.117 -0.234 0.000 1.122 95 I CA 2.315 63.362 61.300 -0.421 0.000 1.431 95 I CB -0.425 37.237 38.000 -0.563 0.000 1.087 95 I HN 0.487 nan 8.210 nan 0.000 0.424 96 T N -2.610 111.896 114.554 -0.082 0.000 2.915 96 T HA -0.160 4.182 4.350 -0.014 0.000 0.269 96 T C 1.816 176.473 174.700 -0.073 0.000 1.071 96 T CA 1.448 63.515 62.100 -0.055 0.000 1.132 96 T CB -0.513 68.359 68.868 0.007 0.000 0.878 96 T HN 0.460 nan 8.240 nan 0.000 0.479 97 E N 0.682 120.835 120.200 -0.079 0.000 2.031 97 E HA -0.017 4.325 4.350 -0.014 0.000 0.193 97 E C 2.101 178.644 176.600 -0.095 0.000 0.994 97 E CA 0.955 57.311 56.400 -0.073 0.000 0.800 97 E CB -0.336 29.324 29.700 -0.066 0.000 0.752 97 E HN 0.450 nan 8.360 nan 0.000 0.447 98 L N 0.522 121.660 121.223 -0.142 0.000 2.051 98 L HA -0.233 4.098 4.340 -0.014 0.000 0.214 98 L C 1.896 178.678 176.870 -0.146 0.000 1.076 98 L CA 1.350 56.094 54.840 -0.159 0.000 0.758 98 L CB -0.019 41.885 42.059 -0.260 0.000 0.890 98 L HN 0.206 nan 8.230 nan 0.000 0.433 99 L N -0.927 120.204 121.223 -0.154 0.000 2.592 99 L HA 0.079 4.410 4.340 -0.014 0.000 0.227 99 L C 1.151 177.969 176.870 -0.087 0.000 1.127 99 L CA -0.355 54.407 54.840 -0.130 0.000 0.884 99 L CB -0.274 41.695 42.059 -0.149 0.000 1.065 99 L HN 0.172 nan 8.230 nan 0.000 0.457 100 R N 0.896 121.353 120.500 -0.071 0.000 2.537 100 R HA 0.126 4.458 4.340 -0.014 0.000 0.281 100 R C 1.142 177.415 176.300 -0.045 0.000 0.988 100 R CA 1.242 57.313 56.100 -0.049 0.000 1.077 100 R CB 0.233 30.509 30.300 -0.040 0.000 0.932 100 R HN 0.291 nan 8.270 nan 0.000 0.409 101 G N 2.117 110.896 108.800 -0.036 0.000 2.317 101 G HA2 -0.385 3.567 3.960 -0.014 0.000 0.227 101 G HA3 -0.385 3.567 3.960 -0.014 0.000 0.227 101 G C 0.805 175.684 174.900 -0.034 0.000 1.042 101 G CA 0.599 45.680 45.100 -0.031 0.000 0.623 101 G HN 0.755 nan 8.290 nan 0.000 0.509 102 T N -0.633 113.894 114.554 -0.045 0.000 3.088 102 T HA 0.411 4.753 4.350 -0.014 0.000 0.259 102 T C 2.370 177.045 174.700 -0.041 0.000 1.122 102 T CA 1.674 63.745 62.100 -0.048 0.000 1.095 102 T CB -0.083 68.744 68.868 -0.069 0.000 0.930 102 T HN 2.336 nan 8.240 nan 0.000 0.508 103 G N 1.124 109.902 108.800 -0.036 0.000 2.198 103 G HA2 0.016 3.968 3.960 -0.014 0.000 0.260 103 G HA3 0.016 3.968 3.960 -0.014 0.000 0.260 103 G C 0.172 175.051 174.900 -0.035 0.000 1.025 103 G CA 0.097 45.179 45.100 -0.030 0.000 0.769 103 G HN 1.222 nan 8.290 nan 0.000 0.507 104 A N -0.919 121.872 122.820 -0.049 0.000 2.322 104 A HA 0.956 5.268 4.320 -0.014 0.000 0.327 104 A C 0.326 177.876 177.584 -0.057 0.000 1.134 104 A CA 0.342 52.346 52.037 -0.056 0.000 0.831 104 A CB 1.588 20.541 19.000 -0.078 0.000 1.288 104 A HN 0.967 nan 8.150 nan 0.000 0.472 105 S N -1.001 114.664 115.700 -0.059 0.000 2.600 105 S HA 0.680 5.142 4.470 -0.014 0.000 0.300 105 S C -0.843 173.699 174.600 -0.096 0.000 1.087 105 S CA -0.497 57.671 58.200 -0.054 0.000 0.965 105 S CB 1.766 64.948 63.200 -0.030 0.000 1.089 105 S HN 0.672 nan 8.310 nan 0.000 0.496 106 V N 1.857 121.702 119.914 -0.114 0.000 2.495 106 V HA 0.452 4.564 4.120 -0.014 0.000 0.298 106 V C -0.849 175.092 176.094 -0.255 0.000 1.031 106 V CA -0.751 61.383 62.300 -0.276 0.000 0.871 106 V CB 1.879 33.413 31.823 -0.481 0.000 0.988 106 V HN 0.828 nan 8.190 nan 0.000 0.432 107 D N 3.481 123.711 120.400 -0.282 0.000 2.427 107 D HA 0.371 5.003 4.640 -0.014 0.000 0.226 107 D C -0.627 175.517 176.300 -0.260 0.000 1.076 107 D CA -0.438 53.469 54.000 -0.156 0.000 0.849 107 D CB 0.592 41.351 40.800 -0.069 0.000 1.052 107 D HN 0.265 nan 8.370 nan 0.000 0.515 108 F N 2.633 122.595 119.950 0.020 0.000 2.506 108 F HA 0.152 4.671 4.527 -0.014 0.000 0.371 108 F C 1.195 177.015 175.800 0.034 0.000 1.078 108 F CA 0.024 58.044 58.000 0.034 0.000 1.195 108 F CB 0.647 39.669 39.000 0.037 0.000 1.099 108 F HN 0.280 nan 8.300 nan 0.000 0.548 109 Q N 2.859 122.743 119.800 0.139 0.000 3.230 109 Q HA 0.518 4.850 4.340 -0.014 0.000 0.303 109 Q C 0.393 176.455 176.000 0.103 0.000 0.884 109 Q CA -0.331 55.533 55.803 0.103 0.000 0.859 109 Q CB 1.148 29.917 28.738 0.052 0.000 1.432 109 Q HN 0.880 nan 8.270 nan 0.000 0.403 110 G N 3.092 111.970 108.800 0.130 0.000 2.609 110 G HA2 -0.366 3.586 3.960 -0.014 0.000 0.288 110 G HA3 -0.366 3.586 3.960 -0.014 0.000 0.288 110 G C 0.341 175.311 174.900 0.116 0.000 1.211 110 G CA 0.330 45.493 45.100 0.107 0.000 0.963 110 G HN 0.500 nan 8.290 nan 0.000 0.541 111 N N 2.884 121.640 118.700 0.093 0.000 2.314 111 N HA 0.521 5.253 4.740 -0.014 0.000 0.200 111 N C 0.405 175.972 175.510 0.095 0.000 1.135 111 N CA 1.106 54.212 53.050 0.094 0.000 0.835 111 N CB 0.564 39.098 38.487 0.077 0.000 0.989 111 N HN 1.071 nan 8.380 nan 0.000 0.478 112 A N 0.695 123.569 122.820 0.090 0.000 2.475 112 A HA 0.717 5.028 4.320 -0.014 0.000 0.301 112 A C -0.519 177.093 177.584 0.046 0.000 1.059 112 A CA -0.816 51.263 52.037 0.070 0.000 0.710 112 A CB 1.284 20.311 19.000 0.045 0.000 1.288 112 A HN 0.195 nan 8.150 nan 0.000 0.408 113 I N 0.126 120.704 120.570 0.013 0.000 2.406 113 I HA 0.707 4.869 4.170 -0.014 0.000 0.290 113 I C -0.097 175.968 176.117 -0.087 0.000 0.999 113 I CA -0.356 60.874 61.300 -0.115 0.000 1.124 113 I CB 1.813 39.664 38.000 -0.249 0.000 1.289 113 I HN 0.585 nan 8.210 nan 0.000 0.441 114 T N 5.451 119.943 114.554 -0.104 0.000 2.875 114 T HA 0.627 4.968 4.350 -0.014 0.000 0.284 114 T C -0.559 174.084 174.700 -0.095 0.000 0.995 114 T CA -0.333 61.728 62.100 -0.065 0.000 1.060 114 T CB 1.157 70.000 68.868 -0.042 0.000 0.967 114 T HN 0.498 nan 8.240 nan 0.000 0.476 115 I N 4.281 124.825 120.570 -0.043 0.000 2.377 115 I HA 0.500 4.662 4.170 -0.014 0.000 0.293 115 I C 0.345 176.448 176.117 -0.024 0.000 0.987 115 I CA 0.201 61.465 61.300 -0.060 0.000 1.185 115 I CB 1.936 39.901 38.000 -0.058 0.000 1.341 115 I HN 0.954 nan 8.210 nan 0.000 0.455 116 S N 4.936 120.611 115.700 -0.042 0.000 2.632 116 S HA 0.820 5.282 4.470 -0.014 0.000 0.289 116 S C -1.039 173.545 174.600 -0.028 0.000 1.115 116 S CA -0.773 57.412 58.200 -0.025 0.000 0.889 116 S CB 2.022 65.207 63.200 -0.026 0.000 1.116 116 S HN 0.191 nan 8.310 nan 0.000 0.486 117 V N 1.720 121.623 119.914 -0.019 0.000 2.327 117 V HA 0.665 4.776 4.120 -0.014 0.000 0.272 117 V C 0.609 176.694 176.094 -0.015 0.000 1.019 117 V CA -0.516 61.772 62.300 -0.019 0.000 0.814 117 V CB 0.369 32.182 31.823 -0.017 0.000 1.040 117 V HN 1.207 nan 8.190 nan 0.000 0.440 118 A N 4.289 127.100 122.820 -0.016 0.000 2.483 118 A HA 0.529 4.841 4.320 -0.014 0.000 0.238 118 A C 0.322 177.900 177.584 -0.010 0.000 1.070 118 A CA 0.077 52.106 52.037 -0.012 0.000 0.770 118 A CB 0.286 19.279 19.000 -0.011 0.000 1.008 118 A HN 0.685 nan 8.150 nan 0.000 0.497 119 E N 0.368 120.563 120.200 -0.009 0.000 2.249 119 E HA 0.542 4.884 4.350 -0.014 0.000 0.263 119 E C 0.887 177.484 176.600 -0.005 0.000 0.950 119 E CA -0.111 56.285 56.400 -0.007 0.000 0.827 119 E CB 1.617 31.313 29.700 -0.006 0.000 1.220 119 E HN 0.592 nan 8.360 nan 0.000 0.411 120 A N 0.871 123.689 122.820 -0.004 0.000 2.014 120 A HA 0.044 4.356 4.320 -0.014 0.000 0.218 120 A C 1.735 179.318 177.584 -0.002 0.000 1.163 120 A CA 1.646 53.681 52.037 -0.003 0.000 0.652 120 A CB -0.428 18.571 19.000 -0.002 0.000 0.808 120 A HN 0.601 nan 8.150 nan 0.000 0.449 121 A N -0.220 122.598 122.820 -0.003 0.000 1.994 121 A HA 0.128 4.440 4.320 -0.014 0.000 0.202 121 A C 0.531 178.113 177.584 -0.003 0.000 1.286 121 A CA 0.946 52.981 52.037 -0.002 0.000 0.653 121 A CB -0.642 18.356 19.000 -0.003 0.000 0.926 121 A HN 0.478 nan 8.150 nan 0.000 0.494 122 D N -1.157 119.241 120.400 -0.004 0.000 4.307 122 D HA -0.112 4.520 4.640 -0.014 0.000 0.231 122 D C 0.571 176.869 176.300 -0.004 0.000 1.031 122 D CA 1.025 55.022 54.000 -0.005 0.000 1.233 122 D CB -0.644 40.152 40.800 -0.007 0.000 0.755 122 D HN 0.569 nan 8.370 nan 0.000 0.379 123 S N 0.540 116.238 115.700 -0.003 0.000 2.634 123 S HA 0.325 4.787 4.470 -0.014 0.000 0.221 123 S C 0.385 174.985 174.600 -0.001 0.000 0.952 123 S CA 1.075 59.274 58.200 -0.001 0.000 0.930 123 S CB 0.073 63.274 63.200 0.001 0.000 0.780 123 S HN 1.302 nan 8.310 nan 0.000 0.498 124 S N -1.237 114.461 115.700 -0.004 0.000 2.453 124 S HA 0.066 4.528 4.470 -0.014 0.000 0.287 124 S C -1.305 173.288 174.600 -0.012 0.000 0.698 124 S CA -0.371 57.825 58.200 -0.007 0.000 1.407 124 S CB -0.299 62.899 63.200 -0.004 0.000 1.728 124 S HN 1.262 nan 8.310 nan 0.000 0.434 125 V N 1.083 120.987 119.914 -0.018 0.000 2.555 125 V HA 0.701 4.813 4.120 -0.014 0.000 0.302 125 V C -1.002 175.075 176.094 -0.029 0.000 1.038 125 V CA -0.230 62.057 62.300 -0.023 0.000 0.887 125 V CB 1.725 33.533 31.823 -0.025 0.000 0.991 125 V HN 0.992 nan 8.190 nan 0.000 0.434 126 D N 5.207 125.590 120.400 -0.029 0.000 2.500 126 D HA 0.260 4.892 4.640 -0.014 0.000 0.219 126 D C 1.006 177.284 176.300 -0.037 0.000 1.137 126 D CA 0.033 54.014 54.000 -0.031 0.000 0.946 126 D CB 0.949 41.731 40.800 -0.031 0.000 1.022 126 D HN 0.589 nan 8.370 nan 0.000 0.518 127 L N 1.837 123.035 121.223 -0.042 0.000 2.093 127 L HA 0.017 4.349 4.340 -0.014 0.000 0.208 127 L C 1.932 178.778 176.870 -0.039 0.000 1.085 127 L CA 0.991 55.804 54.840 -0.045 0.000 0.755 127 L CB 0.100 42.126 42.059 -0.055 0.000 0.904 127 L HN 0.403 nan 8.230 nan 0.000 0.435 128 G N -0.226 108.556 108.800 -0.031 0.000 3.496 128 G HA2 0.361 4.313 3.960 -0.014 0.000 0.273 128 G HA3 0.361 4.313 3.960 -0.014 0.000 0.273 128 G C 0.469 175.348 174.900 -0.036 0.000 1.279 128 G CA 0.085 45.172 45.100 -0.021 0.000 1.041 128 G HN 0.299 nan 8.290 nan 0.000 0.539 129 A N 0.399 123.190 122.820 -0.049 0.000 2.540 129 A HA 0.430 4.742 4.320 -0.014 0.000 0.239 129 A C 1.013 178.543 177.584 -0.090 0.000 1.061 129 A CA 0.146 52.142 52.037 -0.068 0.000 0.758 129 A CB 0.065 19.027 19.000 -0.064 0.000 0.991 129 A HN 0.229 nan 8.150 nan 0.000 0.502 130 T N 4.600 119.081 114.554 -0.121 0.000 2.778 130 T HA 0.207 4.549 4.350 -0.014 0.000 0.282 130 T C 0.153 174.759 174.700 -0.157 0.000 0.983 130 T CA 0.955 62.963 62.100 -0.154 0.000 1.193 130 T CB -0.532 68.218 68.868 -0.197 0.000 0.938 130 T HN 0.490 nan 8.240 nan 0.000 0.523 131 M N 4.344 123.842 119.600 -0.169 0.000 2.393 131 M HA 0.453 4.925 4.480 -0.014 0.000 0.316 131 M C -0.815 175.314 176.300 -0.284 0.000 1.087 131 M CA -0.937 54.236 55.300 -0.211 0.000 0.937 131 M CB 2.027 34.534 32.600 -0.155 0.000 1.668 131 M HN 0.278 nan 8.290 nan 0.000 0.438 132 I N 1.623 121.906 120.570 -0.479 0.000 2.498 132 I HA 0.511 4.673 4.170 -0.014 0.000 0.301 132 I C 0.480 176.283 176.117 -0.524 0.000 0.984 132 I CA -0.311 60.688 61.300 -0.503 0.000 1.204 132 I CB 1.906 39.557 38.000 -0.582 0.000 1.362 132 I HN 0.584 nan 8.210 nan 0.000 0.471 133 T N 3.150 117.560 114.554 -0.241 0.000 2.924 133 T HA 0.336 4.678 4.350 -0.014 0.000 0.291 133 T C 0.845 175.560 174.700 0.026 0.000 1.045 133 T CA -0.379 61.669 62.100 -0.087 0.000 1.015 133 T CB 1.569 70.406 68.868 -0.053 0.000 1.103 133 T HN 0.687 nan 8.240 nan 0.000 0.496 134 S N 1.144 116.902 115.700 0.097 0.000 2.503 134 S HA 0.144 4.606 4.470 -0.014 0.000 0.215 134 S C 0.614 175.275 174.600 0.102 0.000 1.003 134 S CA -0.201 58.077 58.200 0.129 0.000 0.910 134 S CB 0.003 63.306 63.200 0.170 0.000 0.790 134 S HN 0.539 nan 8.310 nan 0.000 0.514 135 N N 1.648 120.399 118.700 0.085 0.000 2.518 135 N HA 0.241 4.973 4.740 -0.014 0.000 0.254 135 N C 0.485 176.040 175.510 0.074 0.000 0.979 135 N CA -0.302 52.797 53.050 0.083 0.000 0.930 135 N CB 1.255 39.790 38.487 0.080 0.000 1.152 135 N HN 0.058 nan 8.380 nan 0.000 0.505 136 Q N 2.656 122.514 119.800 0.097 0.000 2.291 136 Q HA -0.030 4.301 4.340 -0.014 0.000 0.206 136 Q C 1.101 177.148 176.000 0.079 0.000 0.976 136 Q CA 1.016 56.886 55.803 0.113 0.000 0.875 136 Q CB 0.312 29.172 28.738 0.203 0.000 0.927 136 Q HN 0.685 nan 8.270 nan 0.000 0.450 137 L N -0.788 120.477 121.223 0.071 0.000 2.592 137 L HA 0.169 4.500 4.340 -0.014 0.000 0.227 137 L C 0.946 177.828 176.870 0.020 0.000 1.127 137 L CA 0.277 55.142 54.840 0.041 0.000 0.884 137 L CB 0.017 42.107 42.059 0.052 0.000 1.065 137 L HN 0.218 nan 8.230 nan 0.000 0.457 138 G N -0.384 108.432 108.800 0.026 0.000 2.566 138 G HA2 -0.198 3.753 3.960 -0.014 0.000 0.599 138 G HA3 -0.198 3.753 3.960 -0.014 0.000 0.599 138 G C -0.315 174.604 174.900 0.032 0.000 1.292 138 G CA -0.681 44.430 45.100 0.018 0.000 0.922 138 G HN -0.068 nan 8.290 nan 0.000 0.514 139 T N 1.130 115.701 114.554 0.029 0.000 2.817 139 T HA 0.424 4.766 4.350 -0.014 0.000 0.295 139 T C 1.256 175.982 174.700 0.044 0.000 0.958 139 T CA 0.249 62.373 62.100 0.041 0.000 1.157 139 T CB 0.264 69.154 68.868 0.037 0.000 0.898 139 T HN 0.579 nan 8.240 nan 0.000 0.536 140 I N 3.500 124.102 120.570 0.054 0.000 2.752 140 I HA -0.000 4.162 4.170 -0.014 0.000 0.287 140 I C 2.047 178.196 176.117 0.054 0.000 1.188 140 I CA -0.012 61.321 61.300 0.056 0.000 1.427 140 I CB 0.810 38.847 38.000 0.062 0.000 1.365 140 I HN 0.815 nan 8.210 nan 0.000 0.585 141 T N 0.860 115.445 114.554 0.053 0.000 3.044 141 T HA -0.006 4.336 4.350 -0.014 0.000 0.255 141 T C 0.763 175.498 174.700 0.059 0.000 1.073 141 T CA -0.297 61.837 62.100 0.056 0.000 1.125 141 T CB -0.118 68.782 68.868 0.053 0.000 0.908 141 T HN 0.683 nan 8.240 nan 0.000 0.480 142 E N 2.024 122.257 120.200 0.054 0.000 2.502 142 E HA -0.083 4.258 4.350 -0.014 0.000 0.261 142 E C -0.271 176.355 176.600 0.043 0.000 0.974 142 E CA 0.587 57.015 56.400 0.047 0.000 0.936 142 E CB -0.102 29.627 29.700 0.048 0.000 0.926 142 E HN 0.322 nan 8.360 nan 0.000 0.459 143 D N 1.850 122.270 120.400 0.033 0.000 3.006 143 D HA -0.280 4.351 4.640 -0.014 0.000 0.208 143 D C 1.054 177.380 176.300 0.043 0.000 1.116 143 D CA 1.440 55.458 54.000 0.030 0.000 0.998 143 D CB -1.664 39.151 40.800 0.026 0.000 1.124 143 D HN 0.532 nan 8.370 nan 0.000 0.413 144 S N -0.278 115.455 115.700 0.055 0.000 2.474 144 S HA 0.113 4.575 4.470 -0.014 0.000 0.235 144 S C 2.004 176.638 174.600 0.058 0.000 0.997 144 S CA 2.123 60.360 58.200 0.061 0.000 0.949 144 S CB 0.074 63.316 63.200 0.070 0.000 0.766 144 S HN 1.097 nan 8.310 nan 0.000 0.517 145 G N 0.233 109.069 108.800 0.060 0.000 2.220 145 G HA2 -0.298 3.654 3.960 -0.014 0.000 0.269 145 G HA3 -0.298 3.654 3.960 -0.014 0.000 0.269 145 G C 0.249 175.181 174.900 0.053 0.000 0.977 145 G CA 0.622 45.750 45.100 0.047 0.000 0.634 145 G HN 1.009 nan 8.290 nan 0.000 0.539 146 S N -1.502 114.256 115.700 0.097 0.000 2.681 146 S HA 0.735 5.197 4.470 -0.014 0.000 0.299 146 S C 0.425 175.219 174.600 0.324 0.000 1.113 146 S CA -0.587 57.677 58.200 0.107 0.000 1.013 146 S CB 0.865 64.116 63.200 0.084 0.000 1.076 146 S HN 0.279 nan 8.310 nan 0.000 0.534 147 Y N 0.963 121.296 120.300 0.055 0.000 2.584 147 Y HA 0.374 4.916 4.550 -0.013 0.000 0.254 147 Y C 0.997 176.918 175.900 0.036 0.000 1.177 147 Y CA -0.416 57.718 58.100 0.058 0.000 1.216 147 Y CB -0.006 38.502 38.460 0.080 0.000 1.172 147 Y HN 0.474 nan 8.280 nan 0.000 0.529 148 T N 2.456 117.119 114.554 0.182 0.000 2.887 148 T HA 0.519 4.861 4.350 -0.014 0.000 0.288 148 T C -2.521 172.221 174.700 0.071 0.000 1.021 148 T CA -1.877 60.284 62.100 0.103 0.000 1.000 148 T CB 2.045 70.961 68.868 0.080 0.000 1.034 148 T HN -0.151 nan 8.240 nan 0.000 0.467 149 P HA 0.501 nan 4.420 nan 0.000 0.317 149 P C 0.311 177.626 177.300 0.026 0.000 1.307 149 P CA -0.261 62.856 63.100 0.030 0.000 0.749 149 P CB 0.856 32.559 31.700 0.006 0.000 1.377 150 G N -0.917 107.894 108.800 0.018 0.000 2.463 150 G HA2 0.360 4.312 3.960 -0.014 0.000 0.211 150 G HA3 0.360 4.312 3.960 -0.014 0.000 0.211 150 G C -0.122 174.780 174.900 0.003 0.000 1.881 150 G CA 0.401 45.512 45.100 0.018 0.000 0.722 150 G HN 0.738 nan 8.290 nan 0.000 0.709 151 T N -1.802 112.753 114.554 0.001 0.000 2.926 151 T HA 0.750 5.092 4.350 -0.014 0.000 0.289 151 T C -1.244 173.446 174.700 -0.017 0.000 1.054 151 T CA -0.658 61.434 62.100 -0.012 0.000 1.015 151 T CB 2.604 71.466 68.868 -0.010 0.000 1.167 151 T HN 0.196 nan 8.240 nan 0.000 0.526 152 I N 0.150 120.701 120.570 -0.031 0.000 2.743 152 I HA 0.584 4.746 4.170 -0.014 0.000 0.292 152 I C -0.226 175.855 176.117 -0.060 0.000 1.343 152 I CA -1.193 60.080 61.300 -0.046 0.000 1.038 152 I CB 1.917 39.884 38.000 -0.056 0.000 1.311 152 I HN 1.034 nan 8.210 nan 0.000 0.426 153 A N 3.381 126.157 122.820 -0.074 0.000 2.631 153 A HA 0.329 4.640 4.320 -0.014 0.000 0.294 153 A C 1.111 178.610 177.584 -0.141 0.000 1.156 153 A CA 0.216 52.193 52.037 -0.100 0.000 0.963 153 A CB -0.428 18.516 19.000 -0.095 0.000 1.202 153 A HN 0.702 nan 8.150 nan 0.000 0.523 154 T N -0.282 114.189 114.554 -0.137 0.000 2.867 154 T HA -0.028 4.314 4.350 -0.014 0.000 0.268 154 T C 2.108 176.690 174.700 -0.196 0.000 1.057 154 T CA 1.565 63.567 62.100 -0.164 0.000 1.136 154 T CB -0.092 68.684 68.868 -0.153 0.000 0.874 154 T HN 0.550 nan 8.240 nan 0.000 0.466 155 A N 1.759 124.466 122.820 -0.189 0.000 1.874 155 A HA 0.059 4.371 4.320 -0.014 0.000 0.214 155 A C 2.396 179.795 177.584 -0.308 0.000 1.189 155 A CA 1.626 53.533 52.037 -0.216 0.000 0.615 155 A CB -0.483 18.411 19.000 -0.177 0.000 0.830 155 A HN 0.574 nan 8.150 nan 0.000 0.443 156 T N -6.895 107.492 114.554 -0.278 0.000 3.087 156 T HA 0.404 4.746 4.350 -0.014 0.000 0.283 156 T C 0.694 175.222 174.700 -0.287 0.000 0.956 156 T CA 0.634 62.532 62.100 -0.337 0.000 0.894 156 T CB 0.582 69.306 68.868 -0.239 0.000 1.160 156 T HN 0.332 nan 8.240 nan 0.000 0.532 157 R N -0.436 119.898 120.500 -0.277 0.000 3.769 157 R HA -0.115 4.217 4.340 -0.014 0.000 0.443 157 R C -0.434 175.753 176.300 -0.189 0.000 0.647 157 R CA 1.214 57.134 56.100 -0.299 0.000 1.563 157 R CB -2.375 27.663 30.300 -0.437 0.000 2.174 157 R HN 0.611 nan 8.270 nan 0.000 0.403 158 L N 1.534 122.684 121.223 -0.122 0.000 2.455 158 L HA 0.184 4.516 4.340 -0.014 0.000 0.272 158 L C 0.518 177.355 176.870 -0.055 0.000 1.174 158 L CA -0.381 54.417 54.840 -0.071 0.000 0.869 158 L CB 0.751 42.791 42.059 -0.032 0.000 1.130 158 L HN -0.154 nan 8.230 nan 0.000 0.474 159 V N 6.153 126.035 119.914 -0.052 0.000 2.425 159 V HA 0.122 4.234 4.120 -0.014 0.000 0.276 159 V C 0.382 176.454 176.094 -0.036 0.000 1.017 159 V CA 0.442 62.717 62.300 -0.042 0.000 1.062 159 V CB -0.187 31.616 31.823 -0.032 0.000 0.997 159 V HN 0.486 nan 8.190 nan 0.000 0.476 160 L N 4.018 125.226 121.223 -0.026 0.000 2.409 160 L HA 0.651 4.982 4.340 -0.014 0.000 0.255 160 L C 0.277 177.132 176.870 -0.024 0.000 1.027 160 L CA -0.774 54.059 54.840 -0.012 0.000 0.834 160 L CB 2.748 44.825 42.059 0.030 0.000 1.426 160 L HN 0.603 nan 8.230 nan 0.000 0.411 161 T N -3.340 111.200 114.554 -0.023 0.000 2.918 161 T HA 0.343 4.685 4.350 -0.014 0.000 0.283 161 T C -2.151 172.521 174.700 -0.046 0.000 1.001 161 T CA -1.825 60.257 62.100 -0.031 0.000 1.041 161 T CB 1.492 70.342 68.868 -0.029 0.000 1.028 161 T HN 0.303 nan 8.240 nan 0.000 0.511 162 P HA -0.117 nan 4.420 nan 0.000 0.216 162 P C 1.621 178.869 177.300 -0.087 0.000 1.150 162 P CA 0.978 64.035 63.100 -0.071 0.000 0.843 162 P CB 0.040 31.712 31.700 -0.045 0.000 0.787 163 R N 0.592 121.054 120.500 -0.063 0.000 2.091 163 R HA -0.161 4.171 4.340 -0.014 0.000 0.238 163 R C 1.904 178.172 176.300 -0.053 0.000 1.136 163 R CA 1.643 57.706 56.100 -0.061 0.000 0.959 163 R CB -0.443 29.821 30.300 -0.060 0.000 0.856 163 R HN 0.207 nan 8.270 nan 0.000 0.437 164 E N -0.508 119.674 120.200 -0.030 0.000 2.409 164 E HA -0.047 4.295 4.350 -0.014 0.000 0.198 164 E C -0.259 176.352 176.600 0.017 0.000 1.024 164 E CA 0.661 57.076 56.400 0.026 0.000 0.861 164 E CB 0.281 30.009 29.700 0.048 0.000 0.788 164 E HN 0.192 nan 8.360 nan 0.000 0.521 165 T N 3.302 117.787 114.554 -0.115 0.000 2.781 165 T HA 0.144 4.486 4.350 -0.014 0.000 0.305 165 T C -2.231 172.225 174.700 -0.406 0.000 1.001 165 T CA -1.508 60.460 62.100 -0.219 0.000 0.950 165 T CB 1.330 70.086 68.868 -0.187 0.000 0.955 165 T HN -0.026 nan 8.240 nan 0.000 0.471 166 P HA 0.189 nan 4.420 nan 0.000 0.237 166 P C -0.351 176.743 177.300 -0.342 0.000 1.723 166 P CA -0.006 62.823 63.100 -0.451 0.000 0.882 166 P CB 0.133 31.683 31.700 -0.249 0.000 1.810 167 Q N -0.990 118.566 119.800 -0.406 0.000 2.575 167 Q HA 0.356 4.688 4.340 -0.014 0.000 0.290 167 Q C -0.780 175.109 176.000 -0.185 0.000 0.963 167 Q CA -0.706 54.983 55.803 -0.191 0.000 0.783 167 Q CB 1.810 30.451 28.738 -0.160 0.000 1.467 167 Q HN -0.149 nan 8.270 nan 0.000 0.402 168 S N 1.275 116.922 115.700 -0.088 0.000 2.448 168 S HA 0.392 4.853 4.470 -0.014 0.000 0.279 168 S C -0.779 173.756 174.600 -0.108 0.000 1.195 168 S CA -0.175 57.985 58.200 -0.066 0.000 1.051 168 S CB -0.003 63.164 63.200 -0.054 0.000 0.948 168 S HN 0.342 nan 8.310 nan 0.000 0.493 169 I N 4.365 124.873 120.570 -0.103 0.000 2.439 169 I HA 0.353 4.515 4.170 -0.014 0.000 0.283 169 I C -0.499 175.571 176.117 -0.079 0.000 1.023 169 I CA -0.117 61.118 61.300 -0.108 0.000 1.100 169 I CB 1.299 39.225 38.000 -0.123 0.000 1.238 169 I HN 0.411 nan 8.210 nan 0.000 0.445 170 T N 6.499 121.003 114.554 -0.082 0.000 2.794 170 T HA 0.649 4.991 4.350 -0.014 0.000 0.280 170 T C -0.529 174.124 174.700 -0.077 0.000 0.987 170 T CA -0.426 61.636 62.100 -0.064 0.000 0.993 170 T CB 1.428 70.256 68.868 -0.066 0.000 0.939 170 T HN 0.304 nan 8.240 nan 0.000 0.449 171 V N 3.725 123.606 119.914 -0.056 0.000 2.555 171 V HA 0.421 4.533 4.120 -0.014 0.000 0.302 171 V C -0.235 175.824 176.094 -0.058 0.000 1.038 171 V CA -0.805 61.457 62.300 -0.062 0.000 0.887 171 V CB 2.161 33.959 31.823 -0.042 0.000 0.991 171 V HN 0.694 nan 8.190 nan 0.000 0.434 172 V N 4.483 124.346 119.914 -0.084 0.000 2.348 172 V HA 0.349 4.461 4.120 -0.014 0.000 0.270 172 V C 0.667 176.715 176.094 -0.076 0.000 1.037 172 V CA -0.329 61.912 62.300 -0.098 0.000 0.872 172 V CB 1.495 33.239 31.823 -0.133 0.000 1.002 172 V HN 1.064 nan 8.190 nan 0.000 0.464 173 T N 2.234 116.755 114.554 -0.056 0.000 2.874 173 T HA 0.325 4.666 4.350 -0.014 0.000 0.281 173 T C 1.111 175.803 174.700 -0.013 0.000 0.994 173 T CA -0.537 61.559 62.100 -0.007 0.000 1.015 173 T CB 1.379 70.283 68.868 0.061 0.000 1.028 173 T HN 0.469 nan 8.240 nan 0.000 0.523 174 R N 0.685 121.197 120.500 0.021 0.000 2.117 174 R HA -0.156 4.176 4.340 -0.014 0.000 0.243 174 R C 2.366 178.678 176.300 0.020 0.000 1.143 174 R CA 2.007 58.121 56.100 0.024 0.000 0.968 174 R CB -0.996 29.329 30.300 0.041 0.000 0.863 174 R HN 0.796 nan 8.270 nan 0.000 0.444 175 Q N 0.150 119.986 119.800 0.059 0.000 2.083 175 Q HA -0.071 4.260 4.340 -0.014 0.000 0.198 175 Q C 1.743 177.773 176.000 0.049 0.000 0.969 175 Q CA 1.747 57.610 55.803 0.100 0.000 0.838 175 Q CB -0.459 28.416 28.738 0.229 0.000 0.900 175 Q HN 0.373 nan 8.270 nan 0.000 0.436 176 N N -0.344 118.275 118.700 -0.135 0.000 2.091 176 N HA -0.188 4.544 4.740 -0.014 0.000 0.193 176 N C 1.562 177.016 175.510 -0.092 0.000 1.021 176 N CA 1.791 54.609 53.050 -0.387 0.000 0.862 176 N CB -0.115 38.093 38.487 -0.464 0.000 1.018 176 N HN 0.388 nan 8.380 nan 0.000 0.429 177 M N 0.118 119.666 119.600 -0.086 0.000 2.132 177 M HA -0.128 4.344 4.480 -0.014 0.000 0.263 177 M C 1.256 177.532 176.300 -0.040 0.000 1.065 177 M CA 1.248 56.506 55.300 -0.071 0.000 1.122 177 M CB -0.220 32.346 32.600 -0.056 0.000 1.365 177 M HN -0.038 nan 8.290 nan 0.000 0.411 178 D N 0.711 121.093 120.400 -0.030 0.000 2.117 178 D HA -0.150 4.482 4.640 -0.014 0.000 0.197 178 D C 1.575 177.834 176.300 -0.067 0.000 0.987 178 D CA 1.245 55.220 54.000 -0.041 0.000 0.829 178 D CB -0.434 40.342 40.800 -0.041 0.000 0.961 178 D HN 0.307 nan 8.370 nan 0.000 0.460 179 D N -0.521 119.832 120.400 -0.077 0.000 2.149 179 D HA -0.059 4.573 4.640 -0.014 0.000 0.201 179 D C 1.445 177.473 176.300 -0.453 0.000 0.972 179 D CA 0.554 54.409 54.000 -0.242 0.000 0.835 179 D CB -0.279 40.383 40.800 -0.229 0.000 0.966 179 D HN 0.265 nan 8.370 nan 0.000 0.476 180 F N -0.024 119.887 119.950 -0.065 0.000 2.732 180 F HA 0.274 4.793 4.527 -0.014 0.000 0.303 180 F C 1.740 177.460 175.800 -0.132 0.000 1.110 180 F CA 0.121 58.070 58.000 -0.085 0.000 1.355 180 F CB 0.242 39.162 39.000 -0.133 0.000 1.081 180 F HN -0.030 nan 8.300 nan 0.000 0.565 181 G N 1.184 109.967 108.800 -0.029 0.000 2.179 181 G HA2 -0.324 3.627 3.960 -0.014 0.000 0.257 181 G HA3 -0.324 3.627 3.960 -0.014 0.000 0.257 181 G C 0.237 175.102 174.900 -0.059 0.000 1.010 181 G CA -0.198 44.878 45.100 -0.039 0.000 0.736 181 G HN 0.334 nan 8.290 nan 0.000 0.513 182 L N 0.144 121.302 121.223 -0.107 0.000 2.617 182 L HA 0.203 4.535 4.340 -0.014 0.000 0.282 182 L C 1.338 178.164 176.870 -0.072 0.000 1.174 182 L CA 0.050 54.797 54.840 -0.155 0.000 1.016 182 L CB -0.181 41.721 42.059 -0.262 0.000 1.337 182 L HN 0.231 nan 8.230 nan 0.000 0.460 183 N N 1.503 120.182 118.700 -0.035 0.000 2.353 183 N HA -0.020 4.711 4.740 -0.014 0.000 0.185 183 N C -0.006 175.515 175.510 0.019 0.000 1.098 183 N CA -0.074 52.977 53.050 0.003 0.000 0.872 183 N CB 0.269 38.767 38.487 0.018 0.000 0.970 183 N HN 0.659 nan 8.380 nan 0.000 0.467 184 N N -0.771 117.932 118.700 0.004 0.000 2.902 184 N HA 0.116 4.847 4.740 -0.014 0.000 0.268 184 N C 0.215 175.720 175.510 -0.008 0.000 1.450 184 N CA -0.772 52.291 53.050 0.021 0.000 0.819 184 N CB 0.491 38.998 38.487 0.034 0.000 1.540 184 N HN -0.212 nan 8.380 nan 0.000 0.545 185 I N 0.182 120.759 120.570 0.012 0.000 2.361 185 I HA -0.124 4.038 4.170 -0.014 0.000 0.251 185 I C 0.915 177.004 176.117 -0.047 0.000 1.133 185 I CA 1.531 62.819 61.300 -0.020 0.000 1.413 185 I CB -0.459 37.569 38.000 0.047 0.000 1.073 185 I HN 0.499 nan 8.210 nan 0.000 0.424 186 D N 0.940 121.366 120.400 0.043 0.000 2.092 186 D HA -0.192 4.440 4.640 -0.014 0.000 0.193 186 D C 1.776 178.061 176.300 -0.024 0.000 0.994 186 D CA 1.639 55.674 54.000 0.058 0.000 0.828 186 D CB -0.376 40.493 40.800 0.115 0.000 0.963 186 D HN 0.386 nan 8.370 nan 0.000 0.450 187 D N 0.298 120.678 120.400 -0.034 0.000 2.116 187 D HA -0.131 4.501 4.640 -0.014 0.000 0.193 187 D C 2.331 178.518 176.300 -0.188 0.000 0.998 187 D CA 0.639 54.580 54.000 -0.098 0.000 0.836 187 D CB -0.559 40.169 40.800 -0.120 0.000 0.951 187 D HN 0.110 nan 8.370 nan 0.000 0.449 188 V N 1.311 121.111 119.914 -0.190 0.000 2.343 188 V HA -0.250 3.861 4.120 -0.014 0.000 0.247 188 V C 2.539 178.509 176.094 -0.207 0.000 1.051 188 V CA 1.292 63.464 62.300 -0.213 0.000 1.036 188 V CB -0.373 31.338 31.823 -0.187 0.000 0.654 188 V HN 0.192 nan 8.190 nan 0.000 0.451 189 M N -0.473 118.959 119.600 -0.279 0.000 2.117 189 M HA -0.155 4.317 4.480 -0.014 0.000 0.262 189 M C 2.330 178.519 176.300 -0.185 0.000 1.065 189 M CA 1.695 56.777 55.300 -0.363 0.000 1.114 189 M CB -1.249 30.868 32.600 -0.805 0.000 1.361 189 M HN 0.282 nan 8.290 nan 0.000 0.408 190 R N -0.807 119.642 120.500 -0.085 0.000 2.139 190 R HA -0.184 4.148 4.340 -0.014 0.000 0.243 190 R C 1.423 177.788 176.300 0.108 0.000 1.145 190 R CA 1.206 57.337 56.100 0.051 0.000 0.976 190 R CB -0.419 29.963 30.300 0.136 0.000 0.866 190 R HN 0.474 nan 8.270 nan 0.000 0.449 191 H N -1.078 117.880 119.070 -0.187 0.000 2.526 191 H HA 0.152 4.699 4.556 -0.014 0.000 0.274 191 H C -0.266 174.951 175.328 -0.185 0.000 0.999 191 H CA 0.133 56.013 56.048 -0.281 0.000 1.157 191 H CB 0.450 29.862 29.762 -0.584 0.000 1.407 191 H HN -0.068 nan 8.280 nan 0.000 0.568 192 T N 3.244 117.766 114.554 -0.053 0.000 2.743 192 T HA 0.203 4.545 4.350 -0.014 0.000 0.293 192 T C -2.507 172.157 174.700 -0.060 0.000 0.945 192 T CA -1.635 60.417 62.100 -0.081 0.000 1.030 192 T CB 1.348 70.134 68.868 -0.138 0.000 0.912 192 T HN 0.013 nan 8.240 nan 0.000 0.483 193 P HA 0.212 nan 4.420 nan 0.000 0.260 193 P C 1.008 178.274 177.300 -0.057 0.000 1.185 193 P CA 0.831 63.915 63.100 -0.027 0.000 0.763 193 P CB 0.180 31.883 31.700 0.005 0.000 0.776 194 G N 2.724 111.478 108.800 -0.076 0.000 2.159 194 G HA2 -0.161 3.790 3.960 -0.014 0.000 0.227 194 G HA3 -0.161 3.790 3.960 -0.014 0.000 0.227 194 G C -0.093 174.748 174.900 -0.097 0.000 0.986 194 G CA -0.583 44.461 45.100 -0.093 0.000 0.651 194 G HN 0.445 nan 8.290 nan 0.000 0.523 195 I N 1.775 122.291 120.570 -0.091 0.000 2.474 195 I HA 0.522 4.684 4.170 -0.014 0.000 0.294 195 I C 0.101 176.188 176.117 -0.050 0.000 1.005 195 I CA -0.371 60.885 61.300 -0.072 0.000 1.113 195 I CB 1.609 39.539 38.000 -0.117 0.000 1.289 195 I HN 0.048 nan 8.210 nan 0.000 0.436 196 T N 5.019 119.586 114.554 0.021 0.000 2.792 196 T HA 0.571 4.912 4.350 -0.014 0.000 0.280 196 T C -0.181 174.592 174.700 0.121 0.000 0.990 196 T CA -0.576 61.555 62.100 0.053 0.000 0.960 196 T CB 2.084 70.998 68.868 0.076 0.000 0.939 196 T HN 0.203 nan 8.240 nan 0.000 0.439 197 V N 3.835 123.814 119.914 0.107 0.000 2.370 197 V HA 0.635 4.747 4.120 -0.014 0.000 0.283 197 V C 0.223 176.405 176.094 0.147 0.000 1.023 197 V CA -0.646 61.746 62.300 0.153 0.000 0.857 197 V CB 1.134 33.048 31.823 0.151 0.000 0.985 197 V HN 1.114 nan 8.190 nan 0.000 0.443 198 S N 3.606 119.343 115.700 0.062 0.000 2.600 198 S HA 0.917 5.379 4.470 -0.014 0.000 0.300 198 S C -0.310 174.215 174.600 -0.125 0.000 1.087 198 S CA -0.658 57.603 58.200 0.101 0.000 0.965 198 S CB 2.134 65.490 63.200 0.261 0.000 1.089 198 S HN 1.097 nan 8.310 nan 0.000 0.496 199 A N 0.911 123.675 122.820 -0.093 0.000 2.301 199 A HA 0.666 4.978 4.320 -0.014 0.000 0.298 199 A C -0.289 177.074 177.584 -0.368 0.000 1.185 199 A CA -0.609 51.326 52.037 -0.170 0.000 0.830 199 A CB -0.096 18.882 19.000 -0.037 0.000 1.112 199 A HN 0.844 nan 8.150 nan 0.000 0.508 200 Y N 1.316 121.436 120.300 -0.300 0.000 2.205 200 Y HA 0.142 4.684 4.550 -0.013 0.000 0.292 200 Y C 0.812 176.635 175.900 -0.129 0.000 1.119 200 Y CA 1.402 59.182 58.100 -0.534 0.000 1.117 200 Y CB 0.067 38.164 38.460 -0.606 0.000 1.037 200 Y HN 0.842 nan 8.280 nan 0.000 0.510 201 D N -4.163 116.326 120.400 0.148 0.000 2.677 201 D HA 0.127 4.759 4.640 -0.014 0.000 0.298 201 D C 0.710 177.042 176.300 0.054 0.000 1.250 201 D CA 0.054 54.156 54.000 0.170 0.000 0.888 201 D CB 0.344 41.326 40.800 0.303 0.000 1.397 201 D HN -0.005 nan 8.370 nan 0.000 0.461 202 T N -3.305 111.255 114.554 0.010 0.000 2.848 202 T HA -0.164 4.177 4.350 -0.014 0.000 0.269 202 T C 0.267 174.907 174.700 -0.100 0.000 1.081 202 T CA 1.494 63.493 62.100 -0.168 0.000 1.125 202 T CB -0.415 68.209 68.868 -0.406 0.000 0.848 202 T HN 0.499 nan 8.240 nan 0.000 0.503 203 D N 0.155 120.529 120.400 -0.044 0.000 2.563 203 D HA 0.225 4.857 4.640 -0.014 0.000 0.237 203 D C 0.112 176.148 176.300 -0.440 0.000 1.282 203 D CA -0.248 53.636 54.000 -0.193 0.000 0.816 203 D CB 0.740 41.427 40.800 -0.188 0.000 1.066 203 D HN 0.222 nan 8.370 nan 0.000 0.501 204 R N 0.951 121.297 120.500 -0.255 0.000 2.523 204 R HA 0.323 4.655 4.340 -0.014 0.000 0.278 204 R C -1.106 175.132 176.300 -0.102 0.000 1.150 204 R CA -0.325 55.627 56.100 -0.245 0.000 0.987 204 R CB 1.714 31.860 30.300 -0.256 0.000 1.232 204 R HN 0.025 nan 8.270 nan 0.000 0.424 205 N N 0.773 119.367 118.700 -0.176 0.000 2.563 205 N HA 0.388 5.119 4.740 -0.014 0.000 0.288 205 N C -0.882 174.339 175.510 -0.482 0.000 1.246 205 N CA -0.788 52.106 53.050 -0.259 0.000 0.946 205 N CB 1.058 39.502 38.487 -0.073 0.000 1.213 205 N HN 0.380 nan 8.380 nan 0.000 0.578 206 N N -0.485 117.867 118.700 -0.579 0.000 2.238 206 N HA 0.357 5.089 4.740 -0.014 0.000 0.302 206 N C -2.048 173.233 175.510 -0.382 0.000 1.072 206 N CA -0.474 52.190 53.050 -0.643 0.000 0.792 206 N CB 0.829 38.773 38.487 -0.906 0.000 1.425 206 N HN 0.349 nan 8.380 nan 0.000 0.478 207 Y N 2.116 122.251 120.300 -0.275 0.000 2.331 207 Y HA 0.413 4.955 4.550 -0.013 0.000 0.334 207 Y C -1.022 174.777 175.900 -0.170 0.000 0.960 207 Y CA -0.841 57.142 58.100 -0.195 0.000 1.130 207 Y CB 0.560 38.946 38.460 -0.122 0.000 1.164 207 Y HN 0.404 nan 8.280 nan 0.000 0.458 208 Y N 1.407 121.750 120.300 0.071 0.000 2.360 208 Y HA 0.762 5.304 4.550 -0.013 0.000 0.337 208 Y C 0.052 175.927 175.900 -0.042 0.000 1.039 208 Y CA -1.261 56.839 58.100 0.001 0.000 1.109 208 Y CB 1.891 40.325 38.460 -0.042 0.000 1.201 208 Y HN 0.668 nan 8.280 nan 0.000 0.458 209 A N 2.882 125.781 122.820 0.132 0.000 2.393 209 A HA 0.702 5.014 4.320 -0.014 0.000 0.306 209 A C -0.050 177.540 177.584 0.011 0.000 1.050 209 A CA -1.105 50.934 52.037 0.004 0.000 0.724 209 A CB 0.875 19.835 19.000 -0.065 0.000 1.248 209 A HN 0.927 nan 8.150 nan 0.000 0.424 210 R N 0.996 121.454 120.500 -0.071 0.000 3.627 210 R HA -0.267 4.065 4.340 -0.014 0.000 0.281 210 R C 1.081 177.381 176.300 -0.001 0.000 1.140 210 R CA 1.303 57.381 56.100 -0.037 0.000 0.761 210 R CB -2.004 28.207 30.300 -0.149 0.000 1.181 210 R HN 2.459 nan 8.270 nan 0.000 0.472 211 G N -1.706 106.972 108.800 -0.204 0.000 2.218 211 G HA2 -0.274 3.678 3.960 -0.014 0.000 0.216 211 G HA3 -0.274 3.678 3.960 -0.014 0.000 0.216 211 G C -0.044 174.423 174.900 -0.722 0.000 0.994 211 G CA -0.003 44.754 45.100 -0.572 0.000 0.637 211 G HN 0.217 nan 8.290 nan 0.000 0.505 212 F N 1.565 121.538 119.950 0.038 0.000 2.546 212 F HA 0.723 5.242 4.527 -0.014 0.000 0.320 212 F C 0.641 176.567 175.800 0.210 0.000 1.076 212 F CA -0.858 57.203 58.000 0.102 0.000 0.928 212 F CB 2.223 41.227 39.000 0.006 0.000 1.189 212 F HN -0.047 nan 8.300 nan 0.000 0.465 213 S N 2.845 118.753 115.700 0.346 0.000 2.488 213 S HA 0.362 4.823 4.470 -0.014 0.000 0.278 213 S C 0.009 174.657 174.600 0.081 0.000 1.259 213 S CA -0.441 57.837 58.200 0.130 0.000 1.061 213 S CB -0.178 63.064 63.200 0.070 0.000 0.910 213 S HN 0.324 nan 8.310 nan 0.000 0.491 214 I N 3.727 124.306 120.570 0.015 0.000 2.588 214 I HA 0.094 4.256 4.170 -0.014 0.000 0.283 214 I C 1.021 177.074 176.117 -0.106 0.000 1.119 214 I CA 0.356 61.608 61.300 -0.080 0.000 1.419 214 I CB 0.363 38.287 38.000 -0.127 0.000 1.394 214 I HN 0.671 nan 8.210 nan 0.000 0.562 215 N N 3.020 121.638 118.700 -0.137 0.000 2.110 215 N HA 0.140 4.872 4.740 -0.014 0.000 0.230 215 N C -1.069 174.408 175.510 -0.055 0.000 1.353 215 N CA -0.218 52.816 53.050 -0.027 0.000 0.807 215 N CB 0.421 38.907 38.487 -0.002 0.000 1.244 215 N HN 0.479 nan 8.380 nan 0.000 0.504 216 N N 0.692 119.239 118.700 -0.256 0.000 2.424 216 N HA 0.324 5.056 4.740 -0.014 0.000 0.271 216 N C -1.426 173.833 175.510 -0.419 0.000 0.985 216 N CA 0.090 53.006 53.050 -0.224 0.000 0.921 216 N CB 0.871 39.211 38.487 -0.244 0.000 1.149 216 N HN -0.001 nan 8.380 nan 0.000 0.492 217 F N 0.628 120.499 119.950 -0.132 0.000 2.540 217 F HA 0.404 4.924 4.527 -0.012 0.000 0.317 217 F C 0.485 176.107 175.800 -0.297 0.000 1.104 217 F CA -0.709 57.154 58.000 -0.228 0.000 0.913 217 F CB 1.865 40.779 39.000 -0.142 0.000 1.170 217 F HN 0.139 nan 8.300 nan 0.000 0.450 218 Q N 1.751 121.350 119.800 -0.336 0.000 2.416 218 Q HA 0.619 4.950 4.340 -0.014 0.000 0.279 218 Q C -1.893 173.653 176.000 -0.756 0.000 1.101 218 Q CA -1.223 54.377 55.803 -0.338 0.000 0.830 218 Q CB 2.976 31.599 28.738 -0.192 0.000 1.402 218 Q HN 0.563 nan 8.270 nan 0.000 0.445 219 Y N 0.051 120.341 120.300 -0.016 0.000 2.346 219 Y HA 0.174 4.716 4.550 -0.013 0.000 0.332 219 Y C -0.523 175.351 175.900 -0.044 0.000 0.985 219 Y CA -0.936 57.153 58.100 -0.019 0.000 1.112 219 Y CB 1.545 40.010 38.460 0.009 0.000 1.170 219 Y HN 0.625 nan 8.280 nan 0.000 0.447 220 D N 2.573 123.007 120.400 0.057 0.000 2.860 220 D HA -0.214 4.418 4.640 -0.014 0.000 0.229 220 D C 1.302 177.605 176.300 0.005 0.000 1.169 220 D CA 2.161 56.172 54.000 0.017 0.000 0.737 220 D CB -0.967 39.822 40.800 -0.019 0.000 1.080 220 D HN 1.181 nan 8.370 nan 0.000 0.424 221 G N -1.048 107.732 108.800 -0.033 0.000 2.132 221 G HA2 -0.272 3.680 3.960 -0.014 0.000 0.234 221 G HA3 -0.272 3.680 3.960 -0.014 0.000 0.234 221 G C 0.125 175.009 174.900 -0.027 0.000 0.989 221 G CA 0.136 45.201 45.100 -0.059 0.000 0.676 221 G HN 0.449 nan 8.290 nan 0.000 0.522 222 I N 2.016 122.599 120.570 0.022 0.000 2.330 222 I HA 0.320 4.481 4.170 -0.014 0.000 0.289 222 I C -1.949 174.209 176.117 0.068 0.000 1.001 222 I CA -2.906 58.430 61.300 0.060 0.000 1.193 222 I CB 1.132 39.193 38.000 0.102 0.000 1.345 222 I HN -0.102 nan 8.210 nan 0.000 0.461 223 P HA 0.076 nan 4.420 nan 0.000 0.268 223 P C -0.049 177.306 177.300 0.092 0.000 1.204 223 P CA 0.026 63.139 63.100 0.022 0.000 0.768 223 P CB 0.780 32.465 31.700 -0.026 0.000 0.842 224 S N 1.691 117.478 115.700 0.145 0.000 2.707 224 S HA 0.417 4.879 4.470 -0.014 0.000 0.276 224 S C -0.030 174.617 174.600 0.079 0.000 1.179 224 S CA -0.501 57.792 58.200 0.155 0.000 0.992 224 S CB 0.148 63.507 63.200 0.264 0.000 1.030 224 S HN 0.345 nan 8.310 nan 0.000 0.554 225 T N 1.510 116.093 114.554 0.048 0.000 2.743 225 T HA 0.613 4.955 4.350 -0.014 0.000 0.293 225 T C 0.539 175.211 174.700 -0.045 0.000 0.945 225 T CA -0.163 61.913 62.100 -0.039 0.000 1.030 225 T CB 1.024 69.829 68.868 -0.105 0.000 0.912 225 T HN 0.903 nan 8.240 nan 0.000 0.483 226 A N 3.707 126.493 122.820 -0.056 0.000 2.606 226 A HA 0.287 4.598 4.320 -0.014 0.000 0.290 226 A C 1.919 179.473 177.584 -0.049 0.000 1.174 226 A CA -0.364 51.666 52.037 -0.012 0.000 0.958 226 A CB -0.078 18.988 19.000 0.110 0.000 1.194 226 A HN 0.834 nan 8.150 nan 0.000 0.526 227 R N 0.665 121.068 120.500 -0.161 0.000 2.270 227 R HA -0.289 4.042 4.340 -0.014 0.000 0.260 227 R C 0.531 176.851 176.300 0.033 0.000 1.127 227 R CA 2.400 58.442 56.100 -0.096 0.000 0.969 227 R CB -0.292 29.868 30.300 -0.233 0.000 0.918 227 R HN 0.893 nan 8.270 nan 0.000 0.455 228 N N -4.302 114.443 118.700 0.076 0.000 3.277 228 N HA 0.028 4.760 4.740 -0.014 0.000 0.278 228 N C 0.268 175.727 175.510 -0.085 0.000 1.544 228 N CA -0.121 52.958 53.050 0.047 0.000 0.869 228 N CB 0.900 39.465 38.487 0.131 0.000 1.584 228 N HN -0.173 nan 8.380 nan 0.000 0.564 229 V N -2.873 116.935 119.914 -0.176 0.000 3.305 229 V HA 0.274 4.386 4.120 -0.014 0.000 0.269 229 V C 1.540 177.348 176.094 -0.476 0.000 1.157 229 V CA 1.743 63.894 62.300 -0.248 0.000 1.157 229 V CB -1.256 30.470 31.823 -0.162 0.000 0.772 229 V HN 0.772 nan 8.190 nan 0.000 0.498 230 G N -0.245 108.058 108.800 -0.829 0.000 2.434 230 G HA2 -0.205 3.747 3.960 -0.014 0.000 0.214 230 G HA3 -0.205 3.747 3.960 -0.014 0.000 0.214 230 G C 1.301 175.591 174.900 -1.016 0.000 1.202 230 G CA 1.100 45.337 45.100 -1.439 0.000 0.788 230 G HN 0.562 nan 8.290 nan 0.000 0.539 231 Y N 1.659 121.462 120.300 -0.827 0.000 2.241 231 Y HA -0.129 4.415 4.550 -0.011 0.000 0.286 231 Y C 2.808 178.553 175.900 -0.258 0.000 1.166 231 Y CA 1.481 59.349 58.100 -0.386 0.000 1.203 231 Y CB 0.113 38.432 38.460 -0.235 0.000 0.977 231 Y HN 0.340 nan 8.280 nan 0.000 0.529 232 S N -0.824 114.798 115.700 -0.131 0.000 2.664 232 S HA 0.553 5.014 4.470 -0.014 0.000 0.245 232 S C 0.475 174.948 174.600 -0.210 0.000 1.019 232 S CA -0.368 57.742 58.200 -0.150 0.000 0.996 232 S CB -0.369 62.753 63.200 -0.131 0.000 0.878 232 S HN 0.258 nan 8.310 nan 0.000 0.493 233 A N 0.940 123.650 122.820 -0.184 0.000 2.598 233 A HA 0.437 4.749 4.320 -0.014 0.000 0.239 233 A C 1.669 179.128 177.584 -0.209 0.000 1.032 233 A CA 0.635 52.579 52.037 -0.155 0.000 0.760 233 A CB -1.193 17.790 19.000 -0.028 0.000 0.946 233 A HN 1.865 nan 8.150 nan 0.000 0.512 234 G N 2.549 111.198 108.800 -0.252 0.000 2.189 234 G HA2 -0.343 3.608 3.960 -0.014 0.000 0.267 234 G HA3 -0.343 3.608 3.960 -0.014 0.000 0.267 234 G C 0.799 175.551 174.900 -0.246 0.000 0.975 234 G CA 0.907 45.867 45.100 -0.235 0.000 0.644 234 G HN 0.803 nan 8.290 nan 0.000 0.537 235 N N 0.076 118.570 118.700 -0.344 0.000 2.149 235 N HA -0.063 4.668 4.740 -0.014 0.000 0.188 235 N C 2.198 177.463 175.510 -0.408 0.000 1.019 235 N CA 1.891 54.621 53.050 -0.534 0.000 0.857 235 N CB -0.529 37.362 38.487 -0.994 0.000 0.997 235 N HN 0.551 nan 8.380 nan 0.000 0.426 236 T N -0.692 113.687 114.554 -0.290 0.000 3.113 236 T HA 0.084 4.426 4.350 -0.014 0.000 0.263 236 T C 1.124 175.812 174.700 -0.020 0.000 1.143 236 T CA 0.504 62.538 62.100 -0.110 0.000 1.090 236 T CB -0.052 68.675 68.868 -0.235 0.000 0.922 236 T HN 0.130 nan 8.240 nan 0.000 0.521 237 L N 0.732 121.909 121.223 -0.077 0.000 2.966 237 L HA 0.358 4.690 4.340 -0.014 0.000 0.262 237 L C 0.476 177.345 176.870 -0.001 0.000 1.165 237 L CA -0.384 54.431 54.840 -0.042 0.000 0.978 237 L CB 0.554 42.559 42.059 -0.090 0.000 1.337 237 L HN 0.033 nan 8.230 nan 0.000 0.563 238 S N 1.239 116.954 115.700 0.025 0.000 2.596 238 S HA -0.058 4.404 4.470 -0.014 0.000 0.298 238 S C 0.162 174.837 174.600 0.125 0.000 1.255 238 S CA 0.050 58.306 58.200 0.093 0.000 1.083 238 S CB 0.291 63.592 63.200 0.167 0.000 0.837 238 S HN 0.179 nan 8.310 nan 0.000 0.499 239 D N 1.926 122.396 120.400 0.116 0.000 2.414 239 D HA 0.011 4.642 4.640 -0.014 0.000 0.242 239 D C 0.715 177.131 176.300 0.194 0.000 1.129 239 D CA -0.197 53.867 54.000 0.107 0.000 0.885 239 D CB 0.519 41.349 40.800 0.050 0.000 1.198 239 D HN 0.319 nan 8.370 nan 0.000 0.437 240 M N 2.845 122.537 119.600 0.154 0.000 2.595 240 M HA 0.003 4.474 4.480 -0.014 0.000 0.248 240 M C 1.858 178.242 176.300 0.141 0.000 1.119 240 M CA 0.251 55.683 55.300 0.220 0.000 1.079 240 M CB -1.035 31.629 32.600 0.106 0.000 1.472 240 M HN 0.506 nan 8.290 nan 0.000 0.501 241 A N 1.064 123.916 122.820 0.053 0.000 2.032 241 A HA -0.143 4.169 4.320 -0.014 0.000 0.221 241 A C 1.887 179.433 177.584 -0.064 0.000 1.165 241 A CA 1.480 53.527 52.037 0.017 0.000 0.645 241 A CB -0.874 18.136 19.000 0.015 0.000 0.807 241 A HN 0.660 nan 8.150 nan 0.000 0.453 242 I N -5.449 114.955 120.570 -0.278 0.000 3.956 242 I HA 0.353 4.515 4.170 -0.014 0.000 0.333 242 I C -0.444 175.278 176.117 -0.658 0.000 1.302 242 I CA -0.648 60.325 61.300 -0.545 0.000 1.122 242 I CB 0.125 37.572 38.000 -0.922 0.000 1.013 242 I HN 0.089 nan 8.210 nan 0.000 0.405 243 Y N 0.740 121.006 120.300 -0.057 0.000 2.429 243 Y HA 0.341 4.883 4.550 -0.014 0.000 0.342 243 Y C 0.860 176.756 175.900 -0.007 0.000 1.004 243 Y CA -0.896 57.180 58.100 -0.040 0.000 1.075 243 Y CB 1.527 39.967 38.460 -0.035 0.000 1.214 243 Y HN -0.091 nan 8.280 nan 0.000 0.455 244 D N 0.984 121.488 120.400 0.173 0.000 2.234 244 D HA 0.021 4.652 4.640 -0.014 0.000 0.205 244 D C 0.101 176.450 176.300 0.081 0.000 0.962 244 D CA 0.798 54.863 54.000 0.108 0.000 0.855 244 D CB 0.471 41.325 40.800 0.090 0.000 0.951 244 D HN 0.638 nan 8.370 nan 0.000 0.500 245 R N -1.796 118.747 120.500 0.073 0.000 2.828 245 R HA 0.374 4.706 4.340 -0.014 0.000 0.280 245 R C -2.149 174.111 176.300 -0.065 0.000 1.020 245 R CA -1.024 55.077 56.100 0.001 0.000 0.855 245 R CB 0.879 31.179 30.300 -0.000 0.000 1.278 245 R HN -0.106 nan 8.270 nan 0.000 0.495 246 V N 1.075 120.925 119.914 -0.107 0.000 2.540 246 V HA 0.597 4.708 4.120 -0.014 0.000 0.302 246 V C -0.969 175.035 176.094 -0.149 0.000 1.035 246 V CA -0.249 61.951 62.300 -0.168 0.000 0.873 246 V CB 1.686 33.377 31.823 -0.220 0.000 0.992 246 V HN 0.900 nan 8.190 nan 0.000 0.428 247 E N 5.433 125.534 120.200 -0.165 0.000 2.224 247 E HA 0.613 4.955 4.350 -0.014 0.000 0.265 247 E C -1.405 175.090 176.600 -0.175 0.000 0.878 247 E CA -0.848 55.464 56.400 -0.146 0.000 0.759 247 E CB 2.308 31.937 29.700 -0.119 0.000 1.164 247 E HN 0.808 nan 8.360 nan 0.000 0.414 248 V N 4.208 124.022 119.914 -0.165 0.000 2.407 248 V HA 0.443 4.554 4.120 -0.014 0.000 0.291 248 V C -1.347 174.644 176.094 -0.172 0.000 1.018 248 V CA -0.855 61.333 62.300 -0.186 0.000 0.842 248 V CB 1.216 32.920 31.823 -0.198 0.000 0.996 248 V HN 0.714 nan 8.190 nan 0.000 0.426 249 L N 7.440 128.550 121.223 -0.188 0.000 2.264 249 L HA 0.590 4.921 4.340 -0.014 0.000 0.289 249 L C 0.041 176.797 176.870 -0.190 0.000 1.044 249 L CA 0.189 54.922 54.840 -0.179 0.000 0.807 249 L CB 0.984 42.934 42.059 -0.183 0.000 1.192 249 L HN 0.694 nan 8.230 nan 0.000 0.425 250 K N 4.292 124.581 120.400 -0.185 0.000 2.182 250 K HA 0.824 5.136 4.320 -0.014 0.000 0.262 250 K C 0.052 176.512 176.600 -0.233 0.000 0.957 250 K CA -0.169 55.989 56.287 -0.215 0.000 0.842 250 K CB 1.825 34.187 32.500 -0.230 0.000 1.099 250 K HN 0.873 nan 8.250 nan 0.000 0.438 251 G N 1.261 109.911 108.800 -0.251 0.000 2.178 251 G HA2 0.129 4.081 3.960 -0.014 0.000 0.147 251 G HA3 0.129 4.081 3.960 -0.014 0.000 0.147 251 G C -1.626 173.129 174.900 -0.242 0.000 1.245 251 G CA -0.243 44.710 45.100 -0.245 0.000 1.275 251 G HN 0.712 nan 8.290 nan 0.000 0.491 252 A N 0.382 123.057 122.820 -0.242 0.000 2.375 252 A HA 0.762 5.074 4.320 -0.014 0.000 0.291 252 A C 0.260 177.704 177.584 -0.233 0.000 1.160 252 A CA 0.826 52.705 52.037 -0.262 0.000 0.747 252 A CB 1.006 19.832 19.000 -0.290 0.000 1.170 252 A HN 2.013 nan 8.150 nan 0.000 0.458 253 T N -0.357 114.058 114.554 -0.231 0.000 3.268 253 T HA 0.348 4.690 4.350 -0.014 0.000 0.258 253 T C 1.198 175.767 174.700 -0.219 0.000 0.966 253 T CA 0.445 62.421 62.100 -0.206 0.000 0.952 253 T CB 0.431 69.169 68.868 -0.215 0.000 1.132 253 T HN 0.778 nan 8.240 nan 0.000 0.536 254 G N 1.484 110.153 108.800 -0.218 0.000 2.443 254 G HA2 -0.079 3.872 3.960 -0.014 0.000 0.219 254 G HA3 -0.079 3.872 3.960 -0.014 0.000 0.219 254 G C 1.224 175.993 174.900 -0.218 0.000 1.131 254 G CA 0.553 45.513 45.100 -0.233 0.000 0.775 254 G HN 0.529 nan 8.290 nan 0.000 0.547 255 L N -0.043 121.062 121.223 -0.196 0.000 2.043 255 L HA -0.024 4.308 4.340 -0.014 0.000 0.212 255 L C 2.180 178.835 176.870 -0.358 0.000 1.075 255 L CA 1.836 56.526 54.840 -0.251 0.000 0.752 255 L CB -0.075 41.799 42.059 -0.309 0.000 0.891 255 L HN 0.261 nan 8.230 nan 0.000 0.432 256 L N -3.304 117.702 121.223 -0.363 0.000 2.920 256 L HA 0.149 4.481 4.340 -0.014 0.000 0.257 256 L C 1.758 178.455 176.870 -0.289 0.000 1.150 256 L CA 0.241 54.827 54.840 -0.424 0.000 0.959 256 L CB -0.115 41.661 42.059 -0.471 0.000 1.321 256 L HN -0.057 nan 8.230 nan 0.000 0.555 257 T N 0.102 114.507 114.554 -0.249 0.000 2.942 257 T HA 0.174 4.516 4.350 -0.014 0.000 0.265 257 T C 1.303 175.886 174.700 -0.196 0.000 1.062 257 T CA 1.116 63.090 62.100 -0.209 0.000 1.139 257 T CB -0.033 68.702 68.868 -0.223 0.000 0.883 257 T HN 0.577 nan 8.240 nan 0.000 0.468 258 G N 1.314 109.983 108.800 -0.220 0.000 2.528 258 G HA2 -0.057 3.895 3.960 -0.014 0.000 0.262 258 G HA3 -0.057 3.895 3.960 -0.014 0.000 0.262 258 G C 0.175 174.842 174.900 -0.389 0.000 1.200 258 G CA -0.377 44.583 45.100 -0.232 0.000 0.951 258 G HN 0.904 nan 8.290 nan 0.000 0.566 259 A N 0.207 122.732 122.820 -0.491 0.000 2.511 259 A HA 0.724 5.036 4.320 -0.014 0.000 0.242 259 A C 1.153 178.455 177.584 -0.471 0.000 1.069 259 A CA 1.753 53.332 52.037 -0.762 0.000 0.763 259 A CB -0.006 18.458 19.000 -0.892 0.000 1.001 259 A HN 2.700 nan 8.150 nan 0.000 0.498 260 G N 0.290 108.814 108.800 -0.459 0.000 2.340 260 G HA2 0.553 4.505 3.960 -0.014 0.000 0.299 260 G HA3 0.553 4.505 3.960 -0.014 0.000 0.299 260 G C -0.411 174.322 174.900 -0.277 0.000 1.291 260 G CA 0.069 44.990 45.100 -0.299 0.000 0.841 260 G HN 1.585 nan 8.290 nan 0.000 0.500 261 S N -0.861 114.706 115.700 -0.222 0.000 2.672 261 S HA 0.756 5.218 4.470 -0.014 0.000 0.276 261 S C 0.585 175.008 174.600 -0.295 0.000 1.207 261 S CA -0.719 57.350 58.200 -0.218 0.000 1.002 261 S CB 1.171 64.292 63.200 -0.132 0.000 0.998 261 S HN 0.675 nan 8.310 nan 0.000 0.542 262 L N 1.135 122.099 121.223 -0.433 0.000 2.468 262 L HA 0.478 4.809 4.340 -0.014 0.000 0.253 262 L C 1.793 178.448 176.870 -0.359 0.000 1.237 262 L CA 0.779 55.257 54.840 -0.603 0.000 0.823 262 L CB -0.572 40.688 42.059 -1.333 0.000 1.124 262 L HN 1.162 nan 8.230 nan 0.000 0.504 263 G N -0.003 108.640 108.800 -0.262 0.000 4.244 263 G HA2 -0.040 3.911 3.960 -0.014 0.000 0.222 263 G HA3 -0.040 3.911 3.960 -0.014 0.000 0.222 263 G C -0.189 174.618 174.900 -0.155 0.000 1.665 263 G CA 0.251 45.308 45.100 -0.071 0.000 1.315 263 G HN 1.293 nan 8.290 nan 0.000 0.637 264 A N -1.719 120.994 122.820 -0.179 0.000 2.586 264 A HA 0.804 5.116 4.320 -0.014 0.000 0.291 264 A C -0.624 176.812 177.584 -0.246 0.000 1.062 264 A CA 0.874 52.787 52.037 -0.207 0.000 0.666 264 A CB 0.933 19.820 19.000 -0.188 0.000 1.281 264 A HN 1.281 nan 8.150 nan 0.000 0.421 265 T N 0.909 115.309 114.554 -0.258 0.000 2.885 265 T HA 0.651 4.993 4.350 -0.014 0.000 0.285 265 T C -0.586 173.921 174.700 -0.322 0.000 1.019 265 T CA -0.099 61.823 62.100 -0.296 0.000 1.010 265 T CB 0.868 69.582 68.868 -0.258 0.000 1.022 265 T HN 0.444 nan 8.240 nan 0.000 0.466 266 I N 3.512 123.838 120.570 -0.407 0.000 2.355 266 I HA 0.381 4.542 4.170 -0.014 0.000 0.288 266 I C -0.293 175.617 176.117 -0.345 0.000 0.999 266 I CA -0.737 60.336 61.300 -0.377 0.000 1.163 266 I CB 1.233 38.959 38.000 -0.458 0.000 1.316 266 I HN 0.429 nan 8.210 nan 0.000 0.454 267 N N 7.350 125.870 118.700 -0.299 0.000 2.443 267 N HA 0.536 5.268 4.740 -0.014 0.000 0.269 267 N C -1.583 173.751 175.510 -0.293 0.000 0.985 267 N CA -0.376 52.496 53.050 -0.296 0.000 0.921 267 N CB 1.205 39.557 38.487 -0.224 0.000 1.195 267 N HN 0.378 nan 8.380 nan 0.000 0.492 268 L N 4.044 125.044 121.223 -0.371 0.000 2.296 268 L HA 0.533 4.865 4.340 -0.014 0.000 0.286 268 L C -0.399 176.399 176.870 -0.120 0.000 1.023 268 L CA -0.577 54.031 54.840 -0.386 0.000 0.812 268 L CB 1.298 42.938 42.059 -0.698 0.000 1.223 268 L HN 0.453 nan 8.230 nan 0.000 0.421 269 I N 3.307 123.880 120.570 0.005 0.000 2.354 269 I HA 0.390 4.552 4.170 -0.014 0.000 0.292 269 I C 0.511 176.798 176.117 0.283 0.000 0.989 269 I CA -0.530 60.836 61.300 0.109 0.000 1.188 269 I CB 1.286 39.322 38.000 0.060 0.000 1.342 269 I HN 0.568 nan 8.210 nan 0.000 0.457 270 R N 4.243 124.875 120.500 0.219 0.000 2.539 270 R HA 0.207 4.539 4.340 -0.014 0.000 0.275 270 R C 0.058 176.415 176.300 0.096 0.000 1.077 270 R CA -0.597 55.557 56.100 0.090 0.000 1.097 270 R CB 0.963 31.263 30.300 -0.001 0.000 1.018 270 R HN 0.467 nan 8.270 nan 0.000 0.483 271 K N 2.773 123.196 120.400 0.038 0.000 2.448 271 K HA -0.006 4.305 4.320 -0.014 0.000 0.278 271 K C -0.033 176.708 176.600 0.235 0.000 1.009 271 K CA 0.608 56.974 56.287 0.132 0.000 0.995 271 K CB 0.589 33.163 32.500 0.124 0.000 0.917 271 K HN 0.270 nan 8.250 nan 0.000 0.481 272 K N 3.039 123.535 120.400 0.160 0.000 2.166 272 K HA 0.365 4.677 4.320 -0.014 0.000 0.245 272 K C -2.244 174.396 176.600 0.068 0.000 0.967 272 K CA -2.035 54.334 56.287 0.136 0.000 0.863 272 K CB 1.212 33.777 32.500 0.109 0.000 1.107 272 K HN 0.364 nan 8.250 nan 0.000 0.436 273 P HA 0.146 nan 4.420 nan 0.000 0.279 273 P C -0.957 176.308 177.300 -0.060 0.000 1.282 273 P CA -0.340 62.731 63.100 -0.048 0.000 0.788 273 P CB 0.846 32.484 31.700 -0.103 0.000 1.139 274 T N -4.681 109.811 114.554 -0.103 0.000 2.883 274 T HA 0.356 4.697 4.350 -0.014 0.000 0.301 274 T C 0.479 175.086 174.700 -0.155 0.000 1.158 274 T CA -0.375 61.681 62.100 -0.074 0.000 1.007 274 T CB 0.833 69.681 68.868 -0.034 0.000 1.186 274 T HN 0.279 nan 8.240 nan 0.000 0.499 275 H N 0.153 119.178 119.070 -0.074 0.000 2.548 275 H HA 0.226 4.774 4.556 -0.013 0.000 0.268 275 H C 0.527 175.813 175.328 -0.071 0.000 0.975 275 H CA 0.818 56.811 56.048 -0.091 0.000 1.195 275 H CB 0.352 30.025 29.762 -0.148 0.000 1.397 275 H HN 0.744 nan 8.280 nan 0.000 0.572 276 E N -0.146 120.082 120.200 0.046 0.000 2.227 276 E HA 0.215 4.557 4.350 -0.014 0.000 0.268 276 E C -0.983 175.654 176.600 0.062 0.000 0.907 276 E CA -1.164 55.268 56.400 0.054 0.000 0.786 276 E CB 1.393 31.114 29.700 0.035 0.000 1.191 276 E HN 0.046 nan 8.360 nan 0.000 0.411 277 F N 2.835 122.775 119.950 -0.016 0.000 2.529 277 F HA 0.246 4.765 4.527 -0.014 0.000 0.365 277 F C -0.161 175.650 175.800 0.018 0.000 1.102 277 F CA 0.497 58.492 58.000 -0.009 0.000 1.271 277 F CB 0.413 39.406 39.000 -0.012 0.000 1.120 277 F HN 0.633 nan 8.300 nan 0.000 0.579 278 K N 4.280 124.031 120.400 -1.081 0.000 2.610 278 K HA 0.791 5.103 4.320 -0.014 0.000 0.278 278 K C -1.244 174.920 176.600 -0.727 0.000 0.964 278 K CA -0.807 54.985 56.287 -0.826 0.000 0.859 278 K CB 1.427 33.748 32.500 -0.298 0.000 1.434 278 K HN 1.006 nan 8.250 nan 0.000 0.410 279 G N 0.931 109.462 108.800 -0.448 0.000 2.430 279 G HA2 0.517 4.469 3.960 -0.014 0.000 0.300 279 G HA3 0.517 4.469 3.960 -0.014 0.000 0.300 279 G C -1.913 172.541 174.900 -0.745 0.000 1.330 279 G CA -0.534 44.342 45.100 -0.374 0.000 0.813 279 G HN 1.098 nan 8.290 nan 0.000 0.487 280 H N -2.601 116.032 119.070 -0.729 0.000 2.990 280 H HA 0.781 5.328 4.556 -0.014 0.000 0.336 280 H C -1.876 173.142 175.328 -0.517 0.000 1.306 280 H CA -0.984 54.511 56.048 -0.923 0.000 1.118 280 H CB 1.565 31.039 29.762 -0.480 0.000 1.856 280 H HN 0.696 nan 8.280 nan 0.000 0.538 281 V N 0.655 120.448 119.914 -0.201 0.000 2.709 281 V HA 0.370 4.482 4.120 -0.014 0.000 0.308 281 V C -0.419 175.800 176.094 0.209 0.000 1.062 281 V CA -0.657 61.691 62.300 0.081 0.000 0.901 281 V CB 1.957 33.937 31.823 0.262 0.000 1.003 281 V HN 0.853 nan 8.190 nan 0.000 0.425 282 E N 3.186 123.511 120.200 0.209 0.000 2.292 282 E HA 0.754 5.096 4.350 -0.014 0.000 0.272 282 E C -1.883 174.819 176.600 0.170 0.000 0.881 282 E CA -0.549 55.961 56.400 0.184 0.000 0.754 282 E CB 2.057 31.860 29.700 0.172 0.000 1.201 282 E HN 0.601 nan 8.360 nan 0.000 0.425 283 L N 2.438 123.757 121.223 0.160 0.000 2.401 283 L HA 0.842 5.174 4.340 -0.014 0.000 0.266 283 L C -0.052 176.906 176.870 0.148 0.000 0.991 283 L CA -0.928 54.009 54.840 0.161 0.000 0.818 283 L CB 2.315 44.474 42.059 0.166 0.000 1.321 283 L HN 0.679 nan 8.230 nan 0.000 0.413 284 G N 1.133 110.026 108.800 0.155 0.000 2.696 284 G HA2 0.794 4.746 3.960 -0.014 0.000 0.295 284 G HA3 0.794 4.746 3.960 -0.014 0.000 0.295 284 G C -1.945 173.037 174.900 0.137 0.000 1.398 284 G CA -0.439 44.742 45.100 0.134 0.000 0.920 284 G HN 0.747 nan 8.290 nan 0.000 0.492 285 A N -0.033 122.850 122.820 0.104 0.000 2.429 285 A HA 0.929 5.241 4.320 -0.014 0.000 0.289 285 A C -0.027 177.559 177.584 0.003 0.000 1.043 285 A CA 0.100 52.128 52.037 -0.015 0.000 0.722 285 A CB 1.537 20.548 19.000 0.018 0.000 1.243 285 A HN 1.901 nan 8.150 nan 0.000 0.415 286 G N 0.222 108.946 108.800 -0.126 0.000 2.733 286 G HA2 0.603 4.554 3.960 -0.014 0.000 0.288 286 G HA3 0.603 4.554 3.960 -0.014 0.000 0.288 286 G C -0.224 174.570 174.900 -0.176 0.000 1.373 286 G CA -0.366 44.679 45.100 -0.091 0.000 0.895 286 G HN 1.072 nan 8.290 nan 0.000 0.479 287 S N 0.500 116.030 115.700 -0.283 0.000 2.558 287 S HA 0.023 4.485 4.470 -0.014 0.000 0.297 287 S C -0.049 174.381 174.600 -0.282 0.000 1.283 287 S CA 0.871 58.718 58.200 -0.588 0.000 1.044 287 S CB -0.191 62.237 63.200 -1.286 0.000 0.789 287 S HN 0.768 nan 8.310 nan 0.000 0.500 288 W N 1.338 122.657 121.300 0.030 0.000 5.563 288 W HA -0.174 4.478 4.660 -0.013 0.000 0.396 288 W C -0.224 176.298 176.519 0.005 0.000 1.519 288 W CA 0.389 57.766 57.345 0.054 0.000 0.953 288 W CB -2.902 26.640 29.460 0.136 0.000 2.691 288 W HN 0.972 nan 8.180 nan 0.000 1.444 289 D N -0.576 119.829 120.400 0.008 0.000 2.689 289 D HA -0.221 4.411 4.640 -0.014 0.000 0.237 289 D C 0.179 176.435 176.300 -0.073 0.000 1.148 289 D CA 1.382 55.314 54.000 -0.113 0.000 0.656 289 D CB -1.114 39.636 40.800 -0.083 0.000 1.050 289 D HN 0.328 nan 8.370 nan 0.000 0.426 290 N N 0.809 119.395 118.700 -0.191 0.000 2.485 290 N HA 0.223 4.954 4.740 -0.014 0.000 0.243 290 N C -1.362 174.012 175.510 -0.226 0.000 0.987 290 N CA -0.094 52.921 53.050 -0.057 0.000 0.940 290 N CB 0.314 38.822 38.487 0.035 0.000 1.122 290 N HN 0.075 nan 8.380 nan 0.000 0.509 291 Y N 1.677 122.008 120.300 0.052 0.000 2.376 291 Y HA 0.451 4.993 4.550 -0.014 0.000 0.340 291 Y C 0.539 176.444 175.900 0.007 0.000 0.965 291 Y CA -0.995 57.131 58.100 0.043 0.000 1.078 291 Y CB 1.823 40.314 38.460 0.051 0.000 1.193 291 Y HN 0.330 nan 8.280 nan 0.000 0.452 292 R N 1.731 122.342 120.500 0.184 0.000 2.744 292 R HA 0.839 5.171 4.340 -0.014 0.000 0.279 292 R C -1.295 175.091 176.300 0.145 0.000 0.977 292 R CA -0.542 55.622 56.100 0.107 0.000 0.906 292 R CB 1.679 32.023 30.300 0.072 0.000 1.197 292 R HN 0.816 nan 8.270 nan 0.000 0.463 293 S N 1.343 117.130 115.700 0.146 0.000 2.661 293 S HA 0.576 5.038 4.470 -0.014 0.000 0.285 293 S C -1.174 173.511 174.600 0.142 0.000 1.138 293 S CA -0.881 57.416 58.200 0.162 0.000 0.855 293 S CB 2.131 65.445 63.200 0.191 0.000 1.136 293 S HN 0.733 nan 8.310 nan 0.000 0.484 294 E N 0.070 120.351 120.200 0.135 0.000 2.388 294 E HA 0.479 4.821 4.350 -0.014 0.000 0.289 294 E C -2.444 174.198 176.600 0.070 0.000 0.944 294 E CA -0.680 55.781 56.400 0.102 0.000 0.792 294 E CB 1.658 31.424 29.700 0.109 0.000 1.239 294 E HN 0.554 nan 8.360 nan 0.000 0.412 295 L N 3.863 125.100 121.223 0.022 0.000 2.385 295 L HA 0.621 4.952 4.340 -0.014 0.000 0.273 295 L C -1.697 175.100 176.870 -0.121 0.000 0.990 295 L CA -0.322 54.498 54.840 -0.032 0.000 0.821 295 L CB 1.748 43.841 42.059 0.056 0.000 1.279 295 L HN 0.562 nan 8.230 nan 0.000 0.412 296 D N 3.974 124.191 120.400 -0.305 0.000 2.686 296 D HA 0.550 5.181 4.640 -0.014 0.000 0.249 296 D C -1.707 174.447 176.300 -0.243 0.000 1.260 296 D CA -0.100 53.717 54.000 -0.305 0.000 0.910 296 D CB 1.745 42.220 40.800 -0.542 0.000 1.323 296 D HN 0.281 nan 8.370 nan 0.000 0.561 297 V N 1.350 121.194 119.914 -0.116 0.000 2.638 297 V HA 0.837 4.949 4.120 -0.014 0.000 0.306 297 V C -0.090 175.933 176.094 -0.118 0.000 1.052 297 V CA -0.793 61.448 62.300 -0.099 0.000 0.885 297 V CB 1.638 33.468 31.823 0.010 0.000 0.999 297 V HN 0.498 nan 8.190 nan 0.000 0.424 298 S N 1.451 117.033 115.700 -0.197 0.000 2.536 298 S HA 0.980 5.442 4.470 -0.014 0.000 0.271 298 S C -0.182 174.333 174.600 -0.142 0.000 1.134 298 S CA 0.353 58.460 58.200 -0.155 0.000 0.897 298 S CB 1.790 64.902 63.200 -0.147 0.000 1.094 298 S HN 1.991 nan 8.310 nan 0.000 0.473 299 G N 3.044 111.797 108.800 -0.079 0.000 2.359 299 G HA2 0.308 4.260 3.960 -0.014 0.000 0.293 299 G HA3 0.308 4.260 3.960 -0.014 0.000 0.293 299 G C -3.641 171.221 174.900 -0.063 0.000 1.300 299 G CA -0.717 44.367 45.100 -0.026 0.000 0.888 299 G HN 0.524 nan 8.290 nan 0.000 0.541 300 P HA 0.446 nan 4.420 nan 0.000 0.279 300 P C 0.386 177.649 177.300 -0.062 0.000 1.239 300 P CA -0.289 62.756 63.100 -0.091 0.000 0.789 300 P CB 1.309 32.973 31.700 -0.059 0.000 0.933 301 L N 1.221 122.385 121.223 -0.097 0.000 2.693 301 L HA 0.186 4.517 4.340 -0.014 0.000 0.235 301 L C 0.854 177.682 176.870 -0.070 0.000 1.127 301 L CA 0.395 55.184 54.840 -0.085 0.000 0.914 301 L CB 0.228 42.215 42.059 -0.121 0.000 1.193 301 L HN 0.464 nan 8.230 nan 0.000 0.502 302 T N -4.639 109.876 114.554 -0.065 0.000 2.921 302 T HA 0.231 4.573 4.350 -0.014 0.000 0.297 302 T C 0.840 175.522 174.700 -0.030 0.000 1.013 302 T CA -0.683 61.392 62.100 -0.042 0.000 0.990 302 T CB 1.843 70.692 68.868 -0.032 0.000 1.023 302 T HN 0.282 nan 8.240 nan 0.000 0.447 303 E N 2.340 122.527 120.200 -0.022 0.000 2.217 303 E HA -0.336 4.006 4.350 -0.014 0.000 0.219 303 E C 1.769 178.366 176.600 -0.004 0.000 1.070 303 E CA 2.176 58.568 56.400 -0.013 0.000 0.889 303 E CB -0.918 28.776 29.700 -0.010 0.000 0.768 303 E HN 0.740 nan 8.360 nan 0.000 0.465 304 S N -0.372 115.329 115.700 0.000 0.000 2.453 304 S HA 0.158 4.619 4.470 -0.014 0.000 0.231 304 S C 1.850 176.461 174.600 0.018 0.000 1.005 304 S CA 0.462 58.669 58.200 0.012 0.000 0.949 304 S CB 0.173 63.384 63.200 0.018 0.000 0.774 304 S HN 0.718 nan 8.310 nan 0.000 0.510 305 G N 2.802 111.603 108.800 0.002 0.000 2.195 305 G HA2 -0.343 3.609 3.960 -0.014 0.000 0.246 305 G HA3 -0.343 3.609 3.960 -0.014 0.000 0.246 305 G C 0.762 175.647 174.900 -0.026 0.000 0.984 305 G CA 0.287 45.388 45.100 0.001 0.000 0.633 305 G HN 0.638 nan 8.290 nan 0.000 0.525 306 N N 0.358 119.053 118.700 -0.008 0.000 2.512 306 N HA 0.080 4.812 4.740 -0.014 0.000 0.183 306 N C 0.834 176.306 175.510 -0.065 0.000 1.073 306 N CA 1.349 54.399 53.050 -0.000 0.000 0.911 306 N CB 0.298 38.807 38.487 0.036 0.000 0.964 306 N HN 1.327 nan 8.380 nan 0.000 0.447 307 V N -1.027 118.804 119.914 -0.137 0.000 2.588 307 V HA 0.647 4.759 4.120 -0.014 0.000 0.304 307 V C -1.079 174.841 176.094 -0.290 0.000 1.042 307 V CA -0.950 61.169 62.300 -0.302 0.000 0.877 307 V CB 2.088 33.661 31.823 -0.418 0.000 0.996 307 V HN 0.076 nan 8.190 nan 0.000 0.425 308 R N 3.328 123.618 120.500 -0.350 0.000 2.771 308 R HA 0.860 5.191 4.340 -0.014 0.000 0.274 308 R C -0.369 175.766 176.300 -0.275 0.000 0.987 308 R CA -0.210 55.715 56.100 -0.291 0.000 0.908 308 R CB 2.561 32.659 30.300 -0.337 0.000 1.213 308 R HN 1.101 nan 8.270 nan 0.000 0.468 309 G N 0.691 109.369 108.800 -0.204 0.000 2.672 309 G HA2 0.668 4.620 3.960 -0.014 0.000 0.292 309 G HA3 0.668 4.620 3.960 -0.014 0.000 0.292 309 G C -1.707 173.107 174.900 -0.143 0.000 1.375 309 G CA -0.549 44.442 45.100 -0.181 0.000 0.890 309 G HN 0.440 nan 8.290 nan 0.000 0.476 310 R N -0.552 119.851 120.500 -0.161 0.000 2.584 310 R HA 0.676 5.008 4.340 -0.014 0.000 0.276 310 R C -1.433 174.757 176.300 -0.183 0.000 1.046 310 R CA -0.536 55.482 56.100 -0.136 0.000 0.906 310 R CB 2.043 32.292 30.300 -0.085 0.000 1.215 310 R HN 1.016 nan 8.270 nan 0.000 0.449 311 A N 3.089 125.846 122.820 -0.104 0.000 2.398 311 A HA 0.643 4.955 4.320 -0.014 0.000 0.301 311 A C -1.496 176.092 177.584 0.007 0.000 1.041 311 A CA -0.604 51.390 52.037 -0.071 0.000 0.711 311 A CB 1.833 20.804 19.000 -0.048 0.000 1.240 311 A HN 0.625 nan 8.150 nan 0.000 0.420 312 V N 0.697 120.663 119.914 0.088 0.000 2.841 312 V HA 0.980 5.092 4.120 -0.014 0.000 0.310 312 V C -0.529 175.643 176.094 0.129 0.000 1.090 312 V CA 0.109 62.468 62.300 0.098 0.000 0.930 312 V CB 1.631 33.512 31.823 0.096 0.000 1.014 312 V HN 2.224 nan 8.190 nan 0.000 0.425 313 A N 4.126 126.995 122.820 0.081 0.000 2.475 313 A HA 1.094 5.405 4.320 -0.014 0.000 0.301 313 A C -0.392 177.198 177.584 0.010 0.000 1.059 313 A CA -0.235 51.825 52.037 0.039 0.000 0.710 313 A CB 1.926 21.021 19.000 0.157 0.000 1.288 313 A HN 2.617 nan 8.150 nan 0.000 0.408 314 A N 0.567 123.361 122.820 -0.043 0.000 2.540 314 A HA 0.662 4.974 4.320 -0.014 0.000 0.297 314 A C -1.932 175.702 177.584 0.082 0.000 1.056 314 A CA -0.327 51.732 52.037 0.037 0.000 0.700 314 A CB 1.011 20.025 19.000 0.023 0.000 1.280 314 A HN 1.865 nan 8.150 nan 0.000 0.398 315 Y N 1.083 121.382 120.300 -0.002 0.000 2.421 315 Y HA 0.701 5.241 4.550 -0.016 0.000 0.339 315 Y C -0.609 175.329 175.900 0.063 0.000 0.996 315 Y CA -0.533 57.579 58.100 0.020 0.000 1.046 315 Y CB 2.129 40.612 38.460 0.038 0.000 1.226 315 Y HN 0.851 nan 8.280 nan 0.000 0.445 316 Q N 4.643 124.100 119.800 -0.572 0.000 2.271 316 Q HA 0.390 4.722 4.340 -0.014 0.000 0.268 316 Q C -2.404 173.290 176.000 -0.509 0.000 1.021 316 Q CA -0.692 54.878 55.803 -0.388 0.000 0.802 316 Q CB 1.679 30.342 28.738 -0.125 0.000 1.282 316 Q HN 0.674 nan 8.270 nan 0.000 0.431 317 D N 3.242 123.448 120.400 -0.324 0.000 2.593 317 D HA 0.396 5.028 4.640 -0.014 0.000 0.251 317 D C -1.698 174.664 176.300 0.103 0.000 1.140 317 D CA -0.340 53.577 54.000 -0.137 0.000 0.855 317 D CB 1.091 41.845 40.800 -0.077 0.000 1.267 317 D HN 0.604 nan 8.370 nan 0.000 0.532 318 K N 2.322 122.798 120.400 0.127 0.000 2.464 318 K HA 0.475 4.786 4.320 -0.014 0.000 0.253 318 K C -0.403 176.370 176.600 0.289 0.000 0.933 318 K CA -0.783 55.636 56.287 0.220 0.000 0.801 318 K CB 2.221 34.826 32.500 0.175 0.000 1.271 318 K HN 0.330 nan 8.250 nan 0.000 0.430 319 H N 0.305 119.464 119.070 0.150 0.000 3.232 319 H HA 0.453 5.002 4.556 -0.012 0.000 0.162 319 H C -0.325 175.107 175.328 0.173 0.000 1.531 319 H CA -0.575 55.551 56.048 0.131 0.000 1.665 319 H CB 1.421 31.270 29.762 0.145 0.000 1.218 319 H HN 0.646 nan 8.280 nan 0.000 0.888 320 S N -0.905 114.938 115.700 0.239 0.000 2.683 320 S HA -0.001 4.461 4.470 -0.014 0.000 0.278 320 S C 0.077 174.257 174.600 -0.700 0.000 1.059 320 S CA -0.448 57.676 58.200 -0.126 0.000 0.847 320 S CB -0.153 62.951 63.200 -0.161 0.000 1.078 320 S HN 0.513 nan 8.310 nan 0.000 0.456 321 F N 1.836 120.860 119.950 -1.543 0.000 2.269 321 F HA 0.366 4.886 4.527 -0.011 0.000 0.301 321 F C 0.968 176.405 175.800 -0.605 0.000 1.082 321 F CA 0.330 57.418 58.000 -1.520 0.000 1.360 321 F CB -0.480 37.656 39.000 -1.441 0.000 1.041 321 F HN 0.422 nan 8.300 nan 0.000 0.512 322 M N 1.849 120.588 119.600 -1.435 0.000 2.228 322 M HA 0.034 4.505 4.480 -0.014 0.000 0.351 322 M C -0.188 175.807 176.300 -0.508 0.000 1.233 322 M CA 0.004 54.754 55.300 -0.917 0.000 1.129 322 M CB 0.307 32.321 32.600 -0.978 0.000 1.604 322 M HN 0.046 nan 8.290 nan 0.000 0.457 323 D N 2.736 122.900 120.400 -0.393 0.000 2.455 323 D HA -0.062 4.570 4.640 -0.014 0.000 0.241 323 D C 0.536 176.445 176.300 -0.651 0.000 1.138 323 D CA 0.899 54.696 54.000 -0.338 0.000 0.877 323 D CB 0.407 41.090 40.800 -0.195 0.000 1.187 323 D HN 0.762 nan 8.370 nan 0.000 0.451 324 H N 1.378 120.376 119.070 -0.119 0.000 2.690 324 H HA -0.311 4.237 4.556 -0.014 0.000 0.309 324 H C -1.312 173.956 175.328 -0.100 0.000 1.138 324 H CA 0.494 56.463 56.048 -0.130 0.000 1.142 324 H CB -2.703 26.946 29.762 -0.188 0.000 1.410 324 H HN 0.447 nan 8.280 nan 0.000 0.409 325 Y N 1.764 121.864 120.300 -0.333 0.000 2.328 325 Y HA 0.451 4.994 4.550 -0.012 0.000 0.337 325 Y C 0.074 175.822 175.900 -0.254 0.000 0.966 325 Y CA -0.510 57.429 58.100 -0.269 0.000 1.136 325 Y CB 1.171 39.446 38.460 -0.308 0.000 1.170 325 Y HN 0.542 nan 8.280 nan 0.000 0.470 326 E N 4.781 124.552 120.200 -0.715 0.000 2.320 326 E HA 0.681 5.023 4.350 -0.014 0.000 0.264 326 E C -1.514 174.666 176.600 -0.700 0.000 0.923 326 E CA -1.475 54.554 56.400 -0.619 0.000 0.796 326 E CB 2.338 31.686 29.700 -0.587 0.000 1.262 326 E HN 0.592 nan 8.360 nan 0.000 0.428 327 R N 0.922 121.216 120.500 -0.343 0.000 2.512 327 R HA 0.278 4.610 4.340 -0.014 0.000 0.291 327 R C -1.393 174.859 176.300 -0.081 0.000 1.097 327 R CA -0.606 55.367 56.100 -0.212 0.000 0.940 327 R CB 1.210 31.435 30.300 -0.124 0.000 1.198 327 R HN 0.523 nan 8.270 nan 0.000 0.429 328 K N 3.005 123.377 120.400 -0.046 0.000 2.262 328 K HA 0.214 4.526 4.320 -0.014 0.000 0.282 328 K C -0.354 176.250 176.600 0.005 0.000 1.066 328 K CA -0.416 55.856 56.287 -0.025 0.000 0.901 328 K CB 1.692 34.259 32.500 0.111 0.000 1.089 328 K HN 0.655 nan 8.250 nan 0.000 0.476 329 T N -0.942 113.581 114.554 -0.052 0.000 2.888 329 T HA 0.512 4.853 4.350 -0.014 0.000 0.284 329 T C -0.257 174.501 174.700 0.097 0.000 1.017 329 T CA -0.708 61.404 62.100 0.021 0.000 1.022 329 T CB 1.407 70.274 68.868 -0.001 0.000 1.013 329 T HN 0.289 nan 8.240 nan 0.000 0.465 330 S N 1.395 117.182 115.700 0.144 0.000 2.538 330 S HA 0.759 5.221 4.470 -0.014 0.000 0.288 330 S C -0.665 173.930 174.600 -0.009 0.000 1.108 330 S CA -0.808 57.473 58.200 0.135 0.000 0.971 330 S CB 1.555 64.903 63.200 0.246 0.000 1.041 330 S HN 1.331 nan 8.310 nan 0.000 0.483 331 V N 2.175 121.953 119.914 -0.227 0.000 2.841 331 V HA 0.845 4.956 4.120 -0.014 0.000 0.310 331 V C -2.367 173.413 176.094 -0.523 0.000 1.090 331 V CA -0.562 61.625 62.300 -0.187 0.000 0.930 331 V CB 1.482 33.271 31.823 -0.058 0.000 1.014 331 V HN 0.874 nan 8.190 nan 0.000 0.425 332 Y N 4.621 125.093 120.300 0.287 0.000 2.524 332 Y HA 0.807 5.348 4.550 -0.016 0.000 0.347 332 Y C -1.003 175.058 175.900 0.268 0.000 1.005 332 Y CA -0.836 57.386 58.100 0.204 0.000 1.025 332 Y CB 2.227 40.751 38.460 0.106 0.000 1.275 332 Y HN 0.850 nan 8.280 nan 0.000 0.460 333 Y N 0.597 121.018 120.300 0.203 0.000 2.441 333 Y HA 0.763 5.305 4.550 -0.014 0.000 0.334 333 Y C -0.977 174.975 175.900 0.085 0.000 1.061 333 Y CA -1.405 56.769 58.100 0.122 0.000 1.032 333 Y CB 2.102 40.590 38.460 0.047 0.000 1.266 333 Y HN 0.738 nan 8.280 nan 0.000 0.441 334 G N 5.884 114.454 108.800 -0.383 0.000 2.701 334 G HA2 0.619 4.571 3.960 -0.014 0.000 0.300 334 G HA3 0.619 4.571 3.960 -0.014 0.000 0.300 334 G C -2.288 172.275 174.900 -0.561 0.000 1.410 334 G CA -0.743 44.088 45.100 -0.448 0.000 1.014 334 G HN 0.837 nan 8.290 nan 0.000 0.509 335 I N 1.213 121.472 120.570 -0.519 0.000 2.686 335 I HA 0.754 4.916 4.170 -0.014 0.000 0.295 335 I C -1.617 174.376 176.117 -0.208 0.000 1.114 335 I CA -1.291 59.828 61.300 -0.302 0.000 1.038 335 I CB 2.149 40.050 38.000 -0.165 0.000 1.238 335 I HN 0.390 nan 8.210 nan 0.000 0.420 336 L N 6.181 127.318 121.223 -0.144 0.000 2.431 336 L HA 0.552 4.884 4.340 -0.014 0.000 0.266 336 L C -1.037 175.723 176.870 -0.184 0.000 0.978 336 L CA -0.542 54.164 54.840 -0.223 0.000 0.822 336 L CB 2.225 44.145 42.059 -0.231 0.000 1.310 336 L HN 0.554 nan 8.230 nan 0.000 0.409 337 E N 2.154 122.171 120.200 -0.306 0.000 2.187 337 E HA 0.574 4.916 4.350 -0.014 0.000 0.268 337 E C -1.678 174.728 176.600 -0.323 0.000 0.896 337 E CA -0.579 55.728 56.400 -0.155 0.000 0.766 337 E CB 2.081 31.724 29.700 -0.095 0.000 1.142 337 E HN 0.220 nan 8.360 nan 0.000 0.408 338 F N 1.600 121.545 119.950 -0.008 0.000 2.493 338 F HA 0.270 4.788 4.527 -0.014 0.000 0.329 338 F C -0.119 175.689 175.800 0.013 0.000 1.126 338 F CA -1.101 56.896 58.000 -0.005 0.000 0.937 338 F CB 1.338 40.334 39.000 -0.007 0.000 1.146 338 F HN 0.205 nan 8.300 nan 0.000 0.442 339 D N 4.692 125.187 120.400 0.157 0.000 2.411 339 D HA 0.237 4.869 4.640 -0.014 0.000 0.225 339 D C 1.353 177.723 176.300 0.117 0.000 1.156 339 D CA 0.088 54.160 54.000 0.119 0.000 0.874 339 D CB 1.131 41.985 40.800 0.089 0.000 1.034 339 D HN 0.501 nan 8.370 nan 0.000 0.502 340 L N 2.086 123.374 121.223 0.107 0.000 2.083 340 L HA -0.160 4.172 4.340 -0.014 0.000 0.209 340 L C 0.570 177.479 176.870 0.065 0.000 1.083 340 L CA 1.058 55.945 54.840 0.078 0.000 0.752 340 L CB -0.469 41.624 42.059 0.057 0.000 0.899 340 L HN 0.413 nan 8.230 nan 0.000 0.433 341 N N -4.424 114.315 118.700 0.065 0.000 3.046 341 N HA 0.195 4.927 4.740 -0.014 0.000 0.243 341 N C -2.461 173.079 175.510 0.051 0.000 1.452 341 N CA -1.300 51.783 53.050 0.055 0.000 0.882 341 N CB 0.375 38.892 38.487 0.051 0.000 1.425 341 N HN -0.403 nan 8.380 nan 0.000 0.517 342 P HA -0.169 nan 4.420 nan 0.000 0.218 342 P C -0.517 176.794 177.300 0.018 0.000 1.146 342 P CA 1.821 64.944 63.100 0.038 0.000 0.820 342 P CB -0.209 31.512 31.700 0.036 0.000 0.778 343 D N -2.222 118.173 120.400 -0.009 0.000 2.593 343 D HA 0.139 4.771 4.640 -0.014 0.000 0.241 343 D C -0.614 175.619 176.300 -0.111 0.000 1.257 343 D CA -0.402 53.547 54.000 -0.086 0.000 0.828 343 D CB -0.271 40.431 40.800 -0.163 0.000 1.049 343 D HN -0.104 nan 8.370 nan 0.000 0.490 344 T N 0.424 114.988 114.554 0.017 0.000 3.170 344 T HA 0.311 4.653 4.350 -0.014 0.000 0.315 344 T C -0.974 173.776 174.700 0.084 0.000 0.967 344 T CA -0.551 61.603 62.100 0.090 0.000 1.024 344 T CB 1.420 70.394 68.868 0.177 0.000 1.018 344 T HN 0.134 nan 8.240 nan 0.000 0.449 345 M N 4.103 123.754 119.600 0.086 0.000 2.294 345 M HA 0.667 5.138 4.480 -0.014 0.000 0.335 345 M C -1.646 174.726 176.300 0.119 0.000 1.079 345 M CA -1.208 54.155 55.300 0.105 0.000 0.982 345 M CB 1.488 34.148 32.600 0.100 0.000 1.651 345 M HN 0.583 nan 8.290 nan 0.000 0.437 346 L N 4.742 126.057 121.223 0.153 0.000 2.307 346 L HA 0.666 4.998 4.340 -0.014 0.000 0.284 346 L C -1.176 175.842 176.870 0.247 0.000 1.023 346 L CA 0.324 55.260 54.840 0.160 0.000 0.810 346 L CB 1.998 44.113 42.059 0.093 0.000 1.231 346 L HN 0.699 nan 8.230 nan 0.000 0.423 347 T N 4.819 119.498 114.554 0.209 0.000 2.848 347 T HA 0.646 4.988 4.350 -0.014 0.000 0.285 347 T C -0.915 173.883 174.700 0.163 0.000 0.995 347 T CA -0.483 61.747 62.100 0.217 0.000 0.970 347 T CB 1.579 70.589 68.868 0.236 0.000 0.976 347 T HN 0.646 nan 8.240 nan 0.000 0.441 348 V N 0.260 120.229 119.914 0.091 0.000 2.789 348 V HA 1.080 5.192 4.120 -0.014 0.000 0.311 348 V C -0.374 175.505 176.094 -0.357 0.000 1.073 348 V CA -0.371 61.864 62.300 -0.109 0.000 0.921 348 V CB 1.635 33.437 31.823 -0.035 0.000 1.009 348 V HN 1.175 nan 8.190 nan 0.000 0.426 349 G N 2.195 110.454 108.800 -0.902 0.000 2.677 349 G HA2 0.976 4.928 3.960 -0.014 0.000 0.291 349 G HA3 0.976 4.928 3.960 -0.014 0.000 0.291 349 G C -1.126 173.316 174.900 -0.763 0.000 1.435 349 G CA -0.315 44.223 45.100 -0.937 0.000 0.826 349 G HN 1.852 nan 8.290 nan 0.000 0.491 350 A N 0.408 123.105 122.820 -0.205 0.000 2.515 350 A HA 0.888 5.200 4.320 -0.014 0.000 0.298 350 A C -1.269 176.516 177.584 0.334 0.000 1.059 350 A CA -0.321 51.765 52.037 0.083 0.000 0.698 350 A CB 2.244 21.267 19.000 0.038 0.000 1.289 350 A HN 1.262 nan 8.150 nan 0.000 0.404 351 D N -0.979 119.657 120.400 0.393 0.000 2.579 351 D HA 0.674 5.306 4.640 -0.014 0.000 0.257 351 D C -1.142 175.391 176.300 0.388 0.000 1.176 351 D CA -0.490 53.761 54.000 0.419 0.000 0.914 351 D CB 1.189 42.191 40.800 0.336 0.000 1.431 351 D HN 0.815 nan 8.370 nan 0.000 0.454 352 Y N -0.406 120.014 120.300 0.200 0.000 2.424 352 Y HA 0.419 4.959 4.550 -0.016 0.000 0.323 352 Y C -2.130 173.862 175.900 0.153 0.000 1.174 352 Y CA -0.456 57.767 58.100 0.205 0.000 1.060 352 Y CB 1.639 40.273 38.460 0.290 0.000 1.314 352 Y HN 0.678 nan 8.280 nan 0.000 0.439 353 Q N 4.704 124.184 119.800 -0.532 0.000 2.268 353 Q HA 0.382 4.713 4.340 -0.014 0.000 0.266 353 Q C -2.369 173.390 176.000 -0.401 0.000 1.006 353 Q CA -0.741 54.864 55.803 -0.330 0.000 0.824 353 Q CB 1.913 30.581 28.738 -0.116 0.000 1.306 353 Q HN 0.722 nan 8.270 nan 0.000 0.424 354 D N 2.543 122.821 120.400 -0.203 0.000 2.425 354 D HA 0.334 4.966 4.640 -0.014 0.000 0.240 354 D C -1.222 175.097 176.300 0.031 0.000 1.080 354 D CA -0.283 53.688 54.000 -0.049 0.000 0.836 354 D CB 0.992 41.839 40.800 0.078 0.000 1.125 354 D HN 0.459 nan 8.370 nan 0.000 0.525 355 N N 3.200 121.919 118.700 0.031 0.000 2.417 355 N HA 0.280 5.012 4.740 -0.014 0.000 0.274 355 N C -1.330 174.212 175.510 0.053 0.000 0.987 355 N CA -0.515 52.548 53.050 0.021 0.000 0.912 355 N CB 1.851 40.322 38.487 -0.027 0.000 1.177 355 N HN 0.383 nan 8.380 nan 0.000 0.490 356 D N 2.551 122.979 120.400 0.046 0.000 2.364 356 D HA 0.306 4.938 4.640 -0.014 0.000 0.251 356 D C -2.699 173.603 176.300 0.003 0.000 1.282 356 D CA -1.428 52.608 54.000 0.059 0.000 0.927 356 D CB 1.687 42.533 40.800 0.076 0.000 1.267 356 D HN 0.216 nan 8.370 nan 0.000 0.531 357 P HA 0.584 nan 4.420 nan 0.000 0.286 357 P C -1.028 176.211 177.300 -0.101 0.000 1.292 357 P CA -0.846 62.159 63.100 -0.157 0.000 0.842 357 P CB 1.642 33.269 31.700 -0.123 0.000 1.207 358 K N -1.196 119.063 120.400 -0.236 0.000 2.513 358 K HA 0.582 4.893 4.320 -0.014 0.000 0.251 358 K C 0.184 176.712 176.600 -0.120 0.000 0.939 358 K CA 0.146 56.370 56.287 -0.106 0.000 0.793 358 K CB 0.940 33.374 32.500 -0.109 0.000 1.241 358 K HN 0.716 nan 8.250 nan 0.000 0.431 359 G N 1.289 110.098 108.800 0.016 0.000 2.132 359 G HA2 -0.247 3.704 3.960 -0.014 0.000 0.234 359 G HA3 -0.247 3.704 3.960 -0.014 0.000 0.234 359 G C -0.109 174.935 174.900 0.240 0.000 0.989 359 G CA 0.270 45.440 45.100 0.116 0.000 0.676 359 G HN 0.537 nan 8.290 nan 0.000 0.522 360 S N -0.084 115.762 115.700 0.243 0.000 2.566 360 S HA 0.506 4.968 4.470 -0.014 0.000 0.280 360 S C 0.991 175.734 174.600 0.237 0.000 1.343 360 S CA 0.517 58.907 58.200 0.317 0.000 1.036 360 S CB 1.321 64.714 63.200 0.323 0.000 0.866 360 S HN 1.385 nan 8.310 nan 0.000 0.526 361 G N -0.266 108.682 108.800 0.246 0.000 2.568 361 G HA2 0.482 4.434 3.960 -0.014 0.000 0.313 361 G HA3 0.482 4.434 3.960 -0.014 0.000 0.313 361 G C -0.256 174.843 174.900 0.332 0.000 1.227 361 G CA -0.843 44.417 45.100 0.267 0.000 0.979 361 G HN 0.840 nan 8.290 nan 0.000 0.486 362 W N 0.563 121.945 121.300 0.137 0.000 2.501 362 W HA 0.202 4.852 4.660 -0.018 0.000 0.309 362 W C 1.298 177.922 176.519 0.175 0.000 1.165 362 W CA 1.407 58.807 57.345 0.093 0.000 1.381 362 W CB 0.456 29.925 29.460 0.014 0.000 1.142 362 W HN 0.585 nan 8.180 nan 0.000 0.509 363 S N 0.427 116.483 115.700 0.594 0.000 2.620 363 S HA 0.609 5.071 4.470 -0.014 0.000 0.244 363 S C -0.269 174.564 174.600 0.388 0.000 1.192 363 S CA -0.285 58.283 58.200 0.614 0.000 1.148 363 S CB 0.650 64.078 63.200 0.380 0.000 1.106 363 S HN 0.859 nan 8.310 nan 0.000 0.474 364 G N 2.464 111.467 108.800 0.338 0.000 2.846 364 G HA2 -0.169 3.783 3.960 -0.014 0.000 0.660 364 G HA3 -0.169 3.783 3.960 -0.014 0.000 0.660 364 G C 0.449 175.427 174.900 0.131 0.000 1.464 364 G CA -0.300 44.888 45.100 0.148 0.000 0.891 364 G HN 1.227 nan 8.290 nan 0.000 0.552 365 S N -0.381 115.376 115.700 0.095 0.000 2.501 365 S HA 0.468 4.930 4.470 -0.014 0.000 0.220 365 S C 0.342 175.290 174.600 0.579 0.000 0.997 365 S CA 1.695 60.081 58.200 0.311 0.000 0.919 365 S CB -0.263 63.181 63.200 0.407 0.000 0.778 365 S HN 1.597 nan 8.310 nan 0.000 0.523 366 F N -1.240 118.835 119.950 0.208 0.000 2.799 366 F HA 0.605 5.123 4.527 -0.015 0.000 0.316 366 F C -3.576 172.258 175.800 0.056 0.000 1.155 366 F CA -2.446 55.672 58.000 0.198 0.000 0.916 366 F CB 0.529 39.571 39.000 0.070 0.000 1.294 366 F HN -0.323 nan 8.300 nan 0.000 0.447 367 P HA 0.343 nan 4.420 nan 0.000 0.284 367 P C 0.387 177.639 177.300 -0.079 0.000 1.253 367 P CA -0.400 62.699 63.100 -0.002 0.000 0.800 367 P CB 2.067 33.813 31.700 0.077 0.000 0.961 368 L N 1.569 122.579 121.223 -0.356 0.000 1.994 368 L HA -0.073 4.258 4.340 -0.014 0.000 0.208 368 L C 0.864 177.422 176.870 -0.520 0.000 1.071 368 L CA 1.661 56.142 54.840 -0.599 0.000 0.745 368 L CB -0.461 40.918 42.059 -1.133 0.000 0.892 368 L HN 0.292 nan 8.230 nan 0.000 0.431 369 F N -0.283 119.615 119.950 -0.086 0.000 2.470 369 F HA 0.244 4.763 4.527 -0.014 0.000 0.329 369 F C 0.521 176.229 175.800 -0.153 0.000 1.072 369 F CA -1.778 56.170 58.000 -0.085 0.000 0.989 369 F CB 0.476 39.410 39.000 -0.110 0.000 1.193 369 F HN 0.004 nan 8.300 nan 0.000 0.481 370 D N -0.580 119.842 120.400 0.038 0.000 2.398 370 D HA 0.100 4.731 4.640 -0.014 0.000 0.264 370 D C 1.228 177.430 176.300 -0.164 0.000 1.263 370 D CA -0.045 53.886 54.000 -0.115 0.000 1.037 370 D CB -0.182 40.546 40.800 -0.119 0.000 1.101 370 D HN 0.439 nan 8.370 nan 0.000 0.551 371 S N -1.089 114.487 115.700 -0.208 0.000 2.400 371 S HA -0.261 4.201 4.470 -0.014 0.000 0.232 371 S C 1.447 175.934 174.600 -0.188 0.000 1.025 371 S CA 1.263 59.308 58.200 -0.259 0.000 0.993 371 S CB -0.827 62.262 63.200 -0.184 0.000 0.808 371 S HN 0.693 nan 8.310 nan 0.000 0.478 372 Q N 0.516 120.241 119.800 -0.125 0.000 2.319 372 Q HA 0.461 4.793 4.340 -0.014 0.000 0.202 372 Q C 1.282 177.211 176.000 -0.118 0.000 0.896 372 Q CA 0.342 56.080 55.803 -0.109 0.000 0.942 372 Q CB 0.191 28.886 28.738 -0.072 0.000 1.083 372 Q HN 0.692 nan 8.270 nan 0.000 0.510 373 G N 1.441 110.172 108.800 -0.114 0.000 2.176 373 G HA2 -0.199 3.753 3.960 -0.014 0.000 0.232 373 G HA3 -0.199 3.753 3.960 -0.014 0.000 0.232 373 G C -0.225 174.678 174.900 0.004 0.000 0.986 373 G CA -0.317 44.676 45.100 -0.178 0.000 0.643 373 G HN 0.297 nan 8.290 nan 0.000 0.522 374 N N 0.924 119.669 118.700 0.075 0.000 2.513 374 N HA 0.351 5.083 4.740 -0.014 0.000 0.268 374 N C 0.739 176.399 175.510 0.250 0.000 1.180 374 N CA -0.043 53.087 53.050 0.135 0.000 0.948 374 N CB 0.507 39.031 38.487 0.062 0.000 1.083 374 N HN 0.363 nan 8.380 nan 0.000 0.455 375 R N 1.325 121.978 120.500 0.255 0.000 2.585 375 R HA 0.007 4.339 4.340 -0.014 0.000 0.275 375 R C 0.264 176.623 176.300 0.097 0.000 1.018 375 R CA 0.230 56.427 56.100 0.162 0.000 1.072 375 R CB 0.082 30.465 30.300 0.137 0.000 0.953 375 R HN 0.419 nan 8.270 nan 0.000 0.419 376 N N 1.499 120.235 118.700 0.060 0.000 2.514 376 N HA 0.040 4.771 4.740 -0.014 0.000 0.277 376 N C -1.126 174.431 175.510 0.079 0.000 1.126 376 N CA 0.002 53.087 53.050 0.059 0.000 0.978 376 N CB 1.213 39.750 38.487 0.083 0.000 1.106 376 N HN 0.415 nan 8.380 nan 0.000 0.461 377 D N 1.895 122.313 120.400 0.031 0.000 2.505 377 D HA 0.377 5.009 4.640 -0.014 0.000 0.250 377 D C -1.072 175.191 176.300 -0.061 0.000 1.164 377 D CA -0.525 53.491 54.000 0.027 0.000 0.870 377 D CB 0.723 41.568 40.800 0.074 0.000 1.160 377 D HN 0.188 nan 8.370 nan 0.000 0.549 378 V N 0.906 120.702 119.914 -0.197 0.000 3.040 378 V HA 0.662 4.774 4.120 -0.014 0.000 0.312 378 V C 0.638 176.688 176.094 -0.073 0.000 1.115 378 V CA -1.100 61.057 62.300 -0.239 0.000 0.998 378 V CB 1.416 32.835 31.823 -0.674 0.000 1.042 378 V HN 0.456 nan 8.190 nan 0.000 0.433 379 S N 0.625 116.326 115.700 0.002 0.000 2.542 379 S HA 0.044 4.505 4.470 -0.014 0.000 0.287 379 S C 1.329 175.940 174.600 0.017 0.000 1.315 379 S CA 0.286 58.498 58.200 0.020 0.000 1.037 379 S CB 0.187 63.440 63.200 0.088 0.000 0.822 379 S HN 0.827 nan 8.310 nan 0.000 0.513 380 R N 1.099 121.502 120.500 -0.162 0.000 2.235 380 R HA -0.036 4.295 4.340 -0.014 0.000 0.213 380 R C 2.225 178.662 176.300 0.229 0.000 1.059 380 R CA 1.192 57.169 56.100 -0.205 0.000 0.997 380 R CB -0.227 29.787 30.300 -0.478 0.000 0.884 380 R HN 0.740 nan 8.270 nan 0.000 0.462 381 S N 0.070 115.866 115.700 0.160 0.000 2.496 381 S HA -0.038 4.424 4.470 -0.014 0.000 0.224 381 S C 0.590 175.233 174.600 0.071 0.000 0.996 381 S CA -0.284 57.971 58.200 0.091 0.000 0.927 381 S CB -0.293 62.937 63.200 0.050 0.000 0.774 381 S HN 0.169 nan 8.310 nan 0.000 0.524 382 F N 4.007 123.982 119.950 0.042 0.000 2.623 382 F HA 0.269 4.789 4.527 -0.012 0.000 0.383 382 F C 0.338 176.200 175.800 0.103 0.000 1.077 382 F CA 0.199 58.234 58.000 0.058 0.000 1.268 382 F CB 0.216 39.212 39.000 -0.007 0.000 1.053 382 F HN 0.176 nan 8.300 nan 0.000 0.571 383 N N 4.462 122.943 118.700 -0.365 0.000 2.519 383 N HA 0.137 4.869 4.740 -0.014 0.000 0.286 383 N C 0.030 175.605 175.510 0.107 0.000 1.079 383 N CA -0.757 52.230 53.050 -0.105 0.000 0.878 383 N CB 0.549 38.790 38.487 -0.409 0.000 1.375 383 N HN 0.547 nan 8.380 nan 0.000 0.514 384 N N 1.895 120.791 118.700 0.327 0.000 2.459 384 N HA 0.013 4.745 4.740 -0.014 0.000 0.181 384 N C 0.841 176.643 175.510 0.487 0.000 1.046 384 N CA 0.459 53.742 53.050 0.389 0.000 0.904 384 N CB -0.498 38.211 38.487 0.369 0.000 0.964 384 N HN 0.474 nan 8.380 nan 0.000 0.444 385 G N -0.331 108.699 108.800 0.383 0.000 2.484 385 G HA2 0.420 4.371 3.960 -0.014 0.000 0.235 385 G HA3 0.420 4.371 3.960 -0.014 0.000 0.235 385 G C -0.076 175.034 174.900 0.350 0.000 1.282 385 G CA 0.076 45.356 45.100 0.300 0.000 0.857 385 G HN 0.542 nan 8.290 nan 0.000 0.571 386 A N 1.626 124.462 122.820 0.026 0.000 2.351 386 A HA 0.385 4.697 4.320 -0.014 0.000 0.257 386 A C 1.581 178.918 177.584 -0.412 0.000 1.087 386 A CA -0.162 51.686 52.037 -0.316 0.000 0.798 386 A CB 0.530 19.017 19.000 -0.856 0.000 1.033 386 A HN 0.787 nan 8.150 nan 0.000 0.488 387 K N 0.845 120.987 120.400 -0.431 0.000 2.034 387 K HA -0.179 4.132 4.320 -0.014 0.000 0.214 387 K C 1.583 178.132 176.600 -0.084 0.000 1.051 387 K CA 2.384 58.544 56.287 -0.212 0.000 0.931 387 K CB -0.241 32.160 32.500 -0.166 0.000 0.715 387 K HN 0.991 nan 8.250 nan 0.000 0.446 388 W N 0.928 122.267 121.300 0.065 0.000 2.961 388 W HA 0.139 4.811 4.660 0.020 0.000 0.240 388 W C 0.397 177.007 176.519 0.152 0.000 1.305 388 W CA -0.258 57.146 57.345 0.099 0.000 1.465 388 W CB -0.776 28.747 29.460 0.105 0.000 1.135 388 W HN -0.119 nan 8.180 nan 0.000 0.688 389 S N 1.851 117.413 115.700 -0.229 0.000 2.548 389 S HA 0.322 4.784 4.470 -0.014 0.000 0.277 389 S C -0.258 174.420 174.600 0.131 0.000 1.315 389 S CA -0.037 58.092 58.200 -0.119 0.000 1.050 389 S CB 1.092 64.100 63.200 -0.320 0.000 0.918 389 S HN 0.197 nan 8.310 nan 0.000 0.497 390 S N 4.914 120.757 115.700 0.238 0.000 2.572 390 S HA 0.470 4.932 4.470 -0.014 0.000 0.274 390 S C -1.686 173.115 174.600 0.335 0.000 1.150 390 S CA -0.622 57.733 58.200 0.260 0.000 0.944 390 S CB 0.890 64.249 63.200 0.265 0.000 1.071 390 S HN 0.851 nan 8.310 nan 0.000 0.479 391 W N 6.488 127.862 121.300 0.122 0.000 1.967 391 W HA 0.389 5.040 4.660 -0.016 0.000 0.296 391 W C -0.073 176.521 176.519 0.125 0.000 0.817 391 W CA -1.375 56.032 57.345 0.104 0.000 1.981 391 W CB -0.218 29.267 29.460 0.042 0.000 2.207 391 W HN 0.845 nan 8.180 nan 0.000 0.374 392 E N 1.667 122.149 120.200 0.470 0.000 2.360 392 E HA 0.214 4.556 4.350 -0.014 0.000 0.269 392 E C -0.910 175.910 176.600 0.366 0.000 1.022 392 E CA 0.406 57.002 56.400 0.327 0.000 0.887 392 E CB 1.041 30.903 29.700 0.270 0.000 0.990 392 E HN 0.393 nan 8.360 nan 0.000 0.426 393 Q N 2.459 122.377 119.800 0.196 0.000 2.305 393 Q HA 0.355 4.687 4.340 -0.014 0.000 0.271 393 Q C -1.553 174.520 176.000 0.121 0.000 1.046 393 Q CA -0.980 54.903 55.803 0.133 0.000 0.798 393 Q CB 1.662 30.339 28.738 -0.102 0.000 1.286 393 Q HN 0.750 nan 8.270 nan 0.000 0.435 394 Y N -1.079 119.227 120.300 0.010 0.000 2.602 394 Y HA 0.919 5.461 4.550 -0.014 0.000 0.342 394 Y C -0.751 175.086 175.900 -0.105 0.000 1.029 394 Y CA -0.932 57.115 58.100 -0.088 0.000 1.080 394 Y CB 1.874 40.285 38.460 -0.081 0.000 1.284 394 Y HN 0.496 nan 8.280 nan 0.000 0.485 395 T N 0.280 114.797 114.554 -0.061 0.000 2.982 395 T HA 0.785 5.126 4.350 -0.014 0.000 0.321 395 T C -1.353 173.332 174.700 -0.024 0.000 1.229 395 T CA -1.182 60.854 62.100 -0.108 0.000 1.044 395 T CB 1.966 70.743 68.868 -0.151 0.000 1.184 395 T HN 1.187 nan 8.240 nan 0.000 0.477 396 R N 0.221 120.762 120.500 0.068 0.000 2.643 396 R HA 0.805 5.136 4.340 -0.014 0.000 0.269 396 R C -1.556 174.844 176.300 0.167 0.000 1.037 396 R CA -0.990 55.215 56.100 0.175 0.000 0.894 396 R CB 1.639 32.145 30.300 0.343 0.000 1.238 396 R HN 0.607 nan 8.270 nan 0.000 0.459 397 T N 1.000 115.686 114.554 0.219 0.000 2.893 397 T HA 0.528 4.869 4.350 -0.014 0.000 0.293 397 T C -0.870 174.023 174.700 0.322 0.000 1.027 397 T CA -0.763 61.493 62.100 0.259 0.000 0.988 397 T CB 2.099 71.129 68.868 0.269 0.000 1.043 397 T HN 0.341 nan 8.240 nan 0.000 0.461 398 V N 3.732 123.843 119.914 0.329 0.000 2.588 398 V HA 0.812 4.924 4.120 -0.014 0.000 0.304 398 V C -1.021 175.250 176.094 0.295 0.000 1.042 398 V CA -0.963 61.467 62.300 0.216 0.000 0.877 398 V CB 1.092 32.992 31.823 0.127 0.000 0.996 398 V HN 0.915 nan 8.190 nan 0.000 0.425 399 F N 2.194 122.230 119.950 0.143 0.000 2.601 399 F HA 1.000 5.518 4.527 -0.014 0.000 0.309 399 F C -0.411 175.461 175.800 0.121 0.000 1.089 399 F CA -1.195 56.889 58.000 0.140 0.000 0.940 399 F CB 1.736 40.828 39.000 0.154 0.000 1.273 399 F HN 0.628 nan 8.300 nan 0.000 0.450 400 A N 2.434 125.428 122.820 0.289 0.000 2.414 400 A HA 0.830 5.142 4.320 -0.014 0.000 0.306 400 A C -1.669 176.074 177.584 0.266 0.000 1.054 400 A CA -0.920 51.237 52.037 0.200 0.000 0.724 400 A CB 1.332 20.387 19.000 0.091 0.000 1.267 400 A HN 0.950 nan 8.150 nan 0.000 0.418 401 N N 0.037 118.884 118.700 0.246 0.000 2.321 401 N HA 0.707 5.439 4.740 -0.014 0.000 0.290 401 N C -1.450 174.144 175.510 0.141 0.000 1.212 401 N CA -0.695 52.473 53.050 0.196 0.000 0.767 401 N CB 2.298 40.912 38.487 0.213 0.000 1.494 401 N HN 0.496 nan 8.380 nan 0.000 0.479 402 L N 0.274 121.560 121.223 0.104 0.000 2.410 402 L HA 0.538 4.870 4.340 -0.014 0.000 0.270 402 L C -1.259 175.652 176.870 0.069 0.000 0.983 402 L CA -0.329 54.559 54.840 0.081 0.000 0.822 402 L CB 1.819 43.911 42.059 0.055 0.000 1.285 402 L HN 0.752 nan 8.230 nan 0.000 0.409 403 E N 2.781 123.026 120.200 0.076 0.000 2.275 403 E HA 0.383 4.725 4.350 -0.014 0.000 0.270 403 E C -1.874 174.772 176.600 0.077 0.000 0.882 403 E CA -0.690 55.749 56.400 0.065 0.000 0.758 403 E CB 1.373 31.112 29.700 0.065 0.000 1.195 403 E HN 0.784 nan 8.360 nan 0.000 0.419 404 H N 2.746 121.772 119.070 -0.075 0.000 2.600 404 H HA 0.435 4.983 4.556 -0.014 0.000 0.357 404 H C -1.257 173.955 175.328 -0.193 0.000 1.106 404 H CA -0.755 55.178 56.048 -0.191 0.000 1.193 404 H CB 1.038 30.573 29.762 -0.377 0.000 1.594 404 H HN 0.340 nan 8.280 nan 0.000 0.526 405 N N 4.760 123.035 118.700 -0.707 0.000 2.426 405 N HA 0.142 4.874 4.740 -0.014 0.000 0.257 405 N C -1.034 174.144 175.510 -0.553 0.000 1.002 405 N CA -0.241 52.578 53.050 -0.384 0.000 0.942 405 N CB 0.299 38.676 38.487 -0.184 0.000 1.112 405 N HN 0.338 nan 8.380 nan 0.000 0.499 406 F N 0.748 120.706 119.950 0.012 0.000 2.443 406 F HA 0.213 4.732 4.527 -0.014 0.000 0.353 406 F C 1.740 177.610 175.800 0.116 0.000 1.101 406 F CA -0.706 57.378 58.000 0.140 0.000 1.226 406 F CB 0.698 39.843 39.000 0.242 0.000 1.140 406 F HN 0.546 nan 8.300 nan 0.000 0.557 407 A N 2.806 125.780 122.820 0.256 0.000 2.298 407 A HA -0.247 4.064 4.320 -0.014 0.000 0.215 407 A C 1.855 179.576 177.584 0.227 0.000 1.193 407 A CA 1.704 53.855 52.037 0.189 0.000 0.697 407 A CB -1.147 17.944 19.000 0.151 0.000 0.774 407 A HN 0.971 nan 8.150 nan 0.000 0.492 408 N N -1.253 117.640 118.700 0.322 0.000 2.188 408 N HA 0.074 4.806 4.740 -0.014 0.000 0.184 408 N C 1.397 177.131 175.510 0.373 0.000 1.018 408 N CA 0.996 54.252 53.050 0.344 0.000 0.858 408 N CB -0.067 38.676 38.487 0.426 0.000 0.989 408 N HN 0.621 nan 8.380 nan 0.000 0.426 409 G N -0.599 108.409 108.800 0.346 0.000 2.234 409 G HA2 -0.238 3.714 3.960 -0.014 0.000 0.235 409 G HA3 -0.238 3.714 3.960 -0.014 0.000 0.235 409 G C -0.248 174.810 174.900 0.264 0.000 0.997 409 G CA -0.090 45.183 45.100 0.288 0.000 0.623 409 G HN 0.209 nan 8.290 nan 0.000 0.514 410 W N 0.097 121.511 121.300 0.190 0.000 2.126 410 W HA 0.554 5.205 4.660 -0.014 0.000 0.346 410 W C 0.579 177.300 176.519 0.336 0.000 1.279 410 W CA 0.616 58.086 57.345 0.207 0.000 1.259 410 W CB 1.047 30.574 29.460 0.110 0.000 1.133 410 W HN 0.601 nan 8.180 nan 0.000 0.592 411 V N 2.132 122.339 119.914 0.489 0.000 2.808 411 V HA 0.938 5.049 4.120 -0.014 0.000 0.308 411 V C -0.439 175.915 176.094 0.434 0.000 1.099 411 V CA -0.679 61.869 62.300 0.414 0.000 0.920 411 V CB 1.536 33.472 31.823 0.188 0.000 1.014 411 V HN 0.655 nan 8.190 nan 0.000 0.425 412 G N 3.479 112.545 108.800 0.443 0.000 2.453 412 G HA2 0.718 4.670 3.960 -0.014 0.000 0.323 412 G HA3 0.718 4.670 3.960 -0.014 0.000 0.323 412 G C -1.357 173.545 174.900 0.004 0.000 1.198 412 G CA -0.853 44.421 45.100 0.290 0.000 0.959 412 G HN 0.976 nan 8.290 nan 0.000 0.482 413 K N 0.875 121.141 120.400 -0.224 0.000 2.565 413 K HA 0.494 4.806 4.320 -0.014 0.000 0.251 413 K C -1.559 174.941 176.600 -0.166 0.000 0.956 413 K CA -0.544 55.590 56.287 -0.255 0.000 0.809 413 K CB 2.515 34.727 32.500 -0.481 0.000 1.267 413 K HN 0.325 nan 8.250 nan 0.000 0.438 414 V N 3.970 123.874 119.914 -0.016 0.000 2.417 414 V HA 0.385 4.497 4.120 -0.014 0.000 0.291 414 V C -0.671 175.482 176.094 0.098 0.000 1.024 414 V CA -0.675 61.656 62.300 0.051 0.000 0.861 414 V CB 1.586 33.445 31.823 0.060 0.000 0.985 414 V HN 0.749 nan 8.190 nan 0.000 0.436 415 Q N 4.069 123.951 119.800 0.136 0.000 2.325 415 Q HA 0.643 4.974 4.340 -0.014 0.000 0.270 415 Q C -1.379 174.728 176.000 0.179 0.000 1.020 415 Q CA -0.403 55.503 55.803 0.172 0.000 0.785 415 Q CB 2.636 31.486 28.738 0.185 0.000 1.259 415 Q HN 0.634 nan 8.270 nan 0.000 0.452 416 L N 2.835 124.178 121.223 0.201 0.000 2.325 416 L HA 0.504 4.835 4.340 -0.014 0.000 0.281 416 L C -1.325 175.695 176.870 0.251 0.000 1.004 416 L CA -0.379 54.581 54.840 0.200 0.000 0.823 416 L CB 1.606 43.764 42.059 0.165 0.000 1.236 416 L HN 0.588 nan 8.230 nan 0.000 0.415 417 D N 0.565 121.108 120.400 0.239 0.000 2.780 417 D HA 0.346 4.978 4.640 -0.014 0.000 0.242 417 D C -1.400 175.064 176.300 0.274 0.000 1.135 417 D CA -0.326 53.835 54.000 0.267 0.000 0.859 417 D CB 1.639 42.567 40.800 0.213 0.000 1.530 417 D HN 0.371 nan 8.370 nan 0.000 0.493 418 H N 1.092 120.269 119.070 0.180 0.000 2.708 418 H HA 0.415 4.962 4.556 -0.015 0.000 0.320 418 H C -1.148 174.269 175.328 0.147 0.000 0.991 418 H CA -0.732 55.406 56.048 0.150 0.000 1.243 418 H CB 0.738 30.576 29.762 0.127 0.000 1.446 418 H HN 0.107 nan 8.280 nan 0.000 0.502 419 K N 5.312 125.655 120.400 -0.095 0.000 2.221 419 K HA 0.481 4.793 4.320 -0.014 0.000 0.258 419 K C -1.244 175.281 176.600 -0.125 0.000 0.944 419 K CA -0.823 55.434 56.287 -0.050 0.000 0.823 419 K CB 1.094 33.583 32.500 -0.019 0.000 1.113 419 K HN 0.573 nan 8.250 nan 0.000 0.431 420 I N 3.164 123.716 120.570 -0.030 0.000 2.406 420 I HA 0.242 4.404 4.170 -0.014 0.000 0.290 420 I C -0.949 175.106 176.117 -0.104 0.000 0.999 420 I CA -0.744 60.540 61.300 -0.026 0.000 1.124 420 I CB 1.886 39.947 38.000 0.102 0.000 1.289 420 I HN 0.576 nan 8.210 nan 0.000 0.441 421 N N 3.987 122.591 118.700 -0.161 0.000 2.476 421 N HA 0.660 5.392 4.740 -0.014 0.000 0.257 421 N C -0.417 174.866 175.510 -0.378 0.000 0.970 421 N CA -0.321 52.577 53.050 -0.253 0.000 0.938 421 N CB 1.842 40.239 38.487 -0.150 0.000 1.144 421 N HN 0.742 nan 8.380 nan 0.000 0.500 422 G N 0.928 109.215 108.800 -0.855 0.000 2.533 422 G HA2 0.650 4.602 3.960 -0.014 0.000 0.304 422 G HA3 0.650 4.602 3.960 -0.014 0.000 0.304 422 G C -1.685 172.984 174.900 -0.384 0.000 1.263 422 G CA -0.518 44.008 45.100 -0.957 0.000 0.964 422 G HN 0.466 nan 8.290 nan 0.000 0.479 423 Y N -1.407 118.877 120.300 -0.027 0.000 2.597 423 Y HA 0.778 5.321 4.550 -0.012 0.000 0.340 423 Y C -1.163 174.931 175.900 0.322 0.000 1.097 423 Y CA -1.708 56.523 58.100 0.219 0.000 1.037 423 Y CB 1.780 40.389 38.460 0.250 0.000 1.305 423 Y HN 0.754 nan 8.280 nan 0.000 0.463 424 H N 1.562 120.831 119.070 0.333 0.000 3.177 424 H HA 0.787 5.324 4.556 -0.031 0.000 0.314 424 H C -1.728 173.728 175.328 0.214 0.000 1.059 424 H CA -0.439 55.715 56.048 0.176 0.000 1.515 424 H CB 1.052 30.896 29.762 0.137 0.000 1.672 424 H HN 1.078 nan 8.280 nan 0.000 0.514 425 A N 6.351 129.143 122.820 -0.048 0.000 2.978 425 A HA 0.336 4.648 4.320 -0.014 0.000 0.341 425 A C -2.813 174.663 177.584 -0.181 0.000 1.105 425 A CA -1.521 50.499 52.037 -0.027 0.000 0.819 425 A CB 0.283 19.187 19.000 -0.159 0.000 1.080 425 A HN 0.519 nan 8.150 nan 0.000 0.476 426 P HA 0.231 nan 4.420 nan 0.000 0.260 426 P C -0.522 176.947 177.300 0.281 0.000 1.651 426 P CA 0.293 63.296 63.100 -0.161 0.000 1.139 426 P CB 0.255 31.968 31.700 0.020 0.000 1.756 427 L N 2.586 123.944 121.223 0.224 0.000 2.334 427 L HA 0.737 5.068 4.340 -0.014 0.000 0.277 427 L C 1.074 178.229 176.870 0.475 0.000 1.075 427 L CA -0.178 54.841 54.840 0.298 0.000 0.804 427 L CB 1.362 43.537 42.059 0.194 0.000 1.174 427 L HN 0.321 nan 8.230 nan 0.000 0.438 428 G N 1.711 110.609 108.800 0.163 0.000 2.741 428 G HA2 0.745 4.697 3.960 -0.014 0.000 0.293 428 G HA3 0.745 4.697 3.960 -0.014 0.000 0.293 428 G C -1.722 173.217 174.900 0.065 0.000 1.457 428 G CA -0.232 44.960 45.100 0.153 0.000 1.098 428 G HN 0.803 nan 8.290 nan 0.000 0.536 429 A N 2.249 125.179 122.820 0.183 0.000 2.577 429 A HA 0.683 4.994 4.320 -0.014 0.000 0.297 429 A C -0.328 177.299 177.584 0.073 0.000 1.060 429 A CA -0.728 51.410 52.037 0.168 0.000 0.697 429 A CB 0.830 19.966 19.000 0.226 0.000 1.281 429 A HN 0.858 nan 8.150 nan 0.000 0.402 430 I N 1.850 122.387 120.570 -0.055 0.000 2.826 430 I HA 0.122 4.284 4.170 -0.014 0.000 0.295 430 I C 0.388 176.543 176.117 0.064 0.000 1.213 430 I CA 1.245 62.470 61.300 -0.124 0.000 1.436 430 I CB 0.243 38.080 38.000 -0.271 0.000 1.348 430 I HN 0.780 nan 8.210 nan 0.000 0.570 431 M N 5.730 125.404 119.600 0.123 0.000 2.413 431 M HA 0.641 5.113 4.480 -0.014 0.000 0.287 431 M C -0.481 176.006 176.300 0.312 0.000 1.186 431 M CA -0.013 55.359 55.300 0.119 0.000 0.927 431 M CB 2.156 34.705 32.600 -0.085 0.000 1.715 431 M HN 0.764 nan 8.290 nan 0.000 0.478 432 G N 2.212 111.082 108.800 0.116 0.000 2.498 432 G HA2 -0.076 3.876 3.960 -0.014 0.000 0.651 432 G HA3 -0.076 3.876 3.960 -0.014 0.000 0.651 432 G C -1.767 172.890 174.900 -0.406 0.000 1.284 432 G CA -0.619 44.428 45.100 -0.089 0.000 0.950 432 G HN 0.724 nan 8.290 nan 0.000 0.511 433 D N 1.041 120.947 120.400 -0.824 0.000 2.517 433 D HA 0.434 5.066 4.640 -0.014 0.000 0.220 433 D C -0.314 175.335 176.300 -1.084 0.000 1.158 433 D CA 0.607 54.185 54.000 -0.702 0.000 0.992 433 D CB -0.177 40.326 40.800 -0.495 0.000 1.058 433 D HN 0.374 nan 8.370 nan 0.000 0.516 434 W N 1.512 122.716 121.300 -0.160 0.000 2.929 434 W HA 0.354 5.007 4.660 -0.011 0.000 0.345 434 W C -1.976 174.189 176.519 -0.591 0.000 1.151 434 W CA -2.066 55.107 57.345 -0.287 0.000 1.111 434 W CB 0.381 29.713 29.460 -0.214 0.000 1.449 434 W HN -0.035 nan 8.180 nan 0.000 0.572 435 P HA 0.225 nan 4.420 nan 0.000 0.272 435 P C -0.685 176.621 177.300 0.010 0.000 1.254 435 P CA 0.083 63.022 63.100 -0.268 0.000 0.795 435 P CB 0.597 32.053 31.700 -0.407 0.000 1.022 436 A N 0.511 123.416 122.820 0.143 0.000 2.288 436 A HA 0.562 4.874 4.320 -0.014 0.000 0.328 436 A C -1.707 175.912 177.584 0.058 0.000 1.123 436 A CA -1.792 50.316 52.037 0.119 0.000 0.861 436 A CB -0.259 18.879 19.000 0.230 0.000 1.272 436 A HN 0.247 nan 8.150 nan 0.000 0.490 437 P HA -0.196 nan 4.420 nan 0.000 0.217 437 P C 0.361 177.686 177.300 0.043 0.000 1.148 437 P CA 1.931 65.047 63.100 0.028 0.000 0.834 437 P CB 0.042 31.754 31.700 0.021 0.000 0.783 438 D N -2.693 117.739 120.400 0.054 0.000 2.325 438 D HA -0.029 4.603 4.640 -0.014 0.000 0.225 438 D C 0.478 176.823 176.300 0.074 0.000 1.096 438 D CA -0.354 53.680 54.000 0.057 0.000 0.844 438 D CB -1.364 39.465 40.800 0.048 0.000 0.925 438 D HN 0.138 nan 8.370 nan 0.000 0.513 439 N N -0.449 118.304 118.700 0.089 0.000 2.901 439 N HA -0.194 4.538 4.740 -0.014 0.000 0.248 439 N C -0.741 174.859 175.510 0.149 0.000 1.044 439 N CA 0.705 53.835 53.050 0.134 0.000 0.847 439 N CB -1.190 37.386 38.487 0.148 0.000 1.127 439 N HN 0.457 nan 8.380 nan 0.000 0.562 440 S N -0.299 115.457 115.700 0.094 0.000 2.687 440 S HA 0.898 5.360 4.470 -0.014 0.000 0.283 440 S C 0.049 174.622 174.600 -0.044 0.000 1.170 440 S CA 0.115 58.332 58.200 0.028 0.000 1.008 440 S CB 2.705 65.892 63.200 -0.022 0.000 1.026 440 S HN 0.555 nan 8.310 nan 0.000 0.541 441 A N 0.937 123.597 122.820 -0.267 0.000 2.594 441 A HA 0.782 5.093 4.320 -0.014 0.000 0.291 441 A C -1.244 175.706 177.584 -1.057 0.000 1.105 441 A CA -1.037 50.593 52.037 -0.679 0.000 0.694 441 A CB 1.341 20.217 19.000 -0.206 0.000 1.291 441 A HN 0.787 nan 8.150 nan 0.000 0.410 442 K N 0.827 120.186 120.400 -1.735 0.000 2.270 442 K HA 0.545 4.857 4.320 -0.014 0.000 0.255 442 K C -1.173 175.139 176.600 -0.481 0.000 0.936 442 K CA -0.798 54.921 56.287 -0.947 0.000 0.809 442 K CB 1.689 33.703 32.500 -0.811 0.000 1.131 442 K HN 0.481 nan 8.250 nan 0.000 0.427 443 I N 2.769 123.194 120.570 -0.241 0.000 2.428 443 I HA 0.177 4.339 4.170 -0.014 0.000 0.289 443 I C 0.197 176.356 176.117 0.069 0.000 1.019 443 I CA -0.925 60.353 61.300 -0.037 0.000 1.351 443 I CB 0.973 39.055 38.000 0.137 0.000 1.412 443 I HN 0.224 nan 8.210 nan 0.000 0.513 444 V N 5.370 125.327 119.914 0.073 0.000 2.427 444 V HA 0.772 4.884 4.120 -0.014 0.000 0.286 444 V C 0.228 176.459 176.094 0.229 0.000 1.034 444 V CA -0.630 61.726 62.300 0.093 0.000 0.893 444 V CB 1.387 33.155 31.823 -0.090 0.000 0.982 444 V HN 0.905 nan 8.190 nan 0.000 0.452 445 A N 5.212 128.236 122.820 0.341 0.000 2.375 445 A HA 0.810 5.122 4.320 -0.014 0.000 0.291 445 A C -0.661 177.271 177.584 0.580 0.000 1.160 445 A CA -0.572 51.780 52.037 0.526 0.000 0.747 445 A CB 1.123 20.424 19.000 0.502 0.000 1.170 445 A HN 0.801 nan 8.150 nan 0.000 0.458 446 Q N 0.700 120.861 119.800 0.602 0.000 2.484 446 Q HA 0.650 4.982 4.340 -0.014 0.000 0.285 446 Q C -0.938 175.024 176.000 -0.065 0.000 1.097 446 Q CA -0.893 55.139 55.803 0.382 0.000 0.802 446 Q CB 2.914 31.881 28.738 0.381 0.000 1.444 446 Q HN 0.635 nan 8.270 nan 0.000 0.429 447 K N 1.304 121.367 120.400 -0.560 0.000 2.507 447 K HA 0.451 4.763 4.320 -0.014 0.000 0.252 447 K C -1.942 174.183 176.600 -0.791 0.000 0.943 447 K CA -0.395 55.376 56.287 -0.860 0.000 0.808 447 K CB 1.017 32.602 32.500 -1.525 0.000 1.142 447 K HN 0.536 nan 8.250 nan 0.000 0.426 448 Y N 1.620 121.806 120.300 -0.190 0.000 2.350 448 Y HA 0.303 4.848 4.550 -0.008 0.000 0.338 448 Y C 0.312 176.219 175.900 0.012 0.000 0.961 448 Y CA -0.752 57.345 58.100 -0.005 0.000 1.100 448 Y CB 2.253 40.746 38.460 0.054 0.000 1.179 448 Y HN 0.569 nan 8.280 nan 0.000 0.454 449 T N 0.010 114.589 114.554 0.041 0.000 2.908 449 T HA 0.974 5.316 4.350 -0.014 0.000 0.290 449 T C -0.113 174.349 174.700 -0.397 0.000 1.034 449 T CA -0.527 61.467 62.100 -0.177 0.000 1.010 449 T CB 1.973 70.757 68.868 -0.140 0.000 1.068 449 T HN 1.069 nan 8.240 nan 0.000 0.481 450 G N 0.494 108.749 108.800 -0.908 0.000 2.356 450 G HA2 0.513 4.465 3.960 -0.014 0.000 0.294 450 G HA3 0.513 4.465 3.960 -0.014 0.000 0.294 450 G C -2.100 172.510 174.900 -0.483 0.000 1.423 450 G CA -0.801 43.935 45.100 -0.606 0.000 0.806 450 G HN 0.936 nan 8.290 nan 0.000 0.527 451 E N -1.042 119.123 120.200 -0.059 0.000 2.356 451 E HA 0.684 5.026 4.350 -0.014 0.000 0.275 451 E C -1.323 175.349 176.600 0.121 0.000 0.904 451 E CA -0.625 55.780 56.400 0.007 0.000 0.757 451 E CB 2.279 32.003 29.700 0.040 0.000 1.232 451 E HN 0.421 nan 8.360 nan 0.000 0.442 452 T N 3.254 117.834 114.554 0.044 0.000 2.824 452 T HA 0.427 4.769 4.350 -0.014 0.000 0.282 452 T C -0.989 173.729 174.700 0.030 0.000 0.993 452 T CA -0.822 61.312 62.100 0.057 0.000 0.967 452 T CB 1.142 70.007 68.868 -0.004 0.000 0.960 452 T HN 0.258 nan 8.240 nan 0.000 0.441 453 K N 1.977 122.411 120.400 0.057 0.000 2.244 453 K HA 0.720 5.032 4.320 -0.014 0.000 0.260 453 K C -0.687 175.944 176.600 0.052 0.000 0.951 453 K CA -0.751 55.537 56.287 0.002 0.000 0.826 453 K CB 1.872 34.389 32.500 0.028 0.000 1.108 453 K HN 0.414 nan 8.250 nan 0.000 0.433 454 S N 1.693 117.372 115.700 -0.035 0.000 2.526 454 S HA 0.387 4.849 4.470 -0.014 0.000 0.293 454 S C -1.008 173.618 174.600 0.042 0.000 1.092 454 S CA -0.900 57.339 58.200 0.065 0.000 0.980 454 S CB 1.220 64.466 63.200 0.077 0.000 1.048 454 S HN 0.561 nan 8.310 nan 0.000 0.483 455 N N 0.603 119.403 118.700 0.168 0.000 2.296 455 N HA 0.552 5.284 4.740 -0.014 0.000 0.294 455 N C -1.425 174.239 175.510 0.256 0.000 1.033 455 N CA -0.412 52.763 53.050 0.209 0.000 0.839 455 N CB 1.731 40.348 38.487 0.217 0.000 1.395 455 N HN 0.355 nan 8.380 nan 0.000 0.479 456 S N 1.523 117.354 115.700 0.219 0.000 2.513 456 S HA 0.528 4.990 4.470 -0.014 0.000 0.299 456 S C -1.330 173.393 174.600 0.205 0.000 1.087 456 S CA -0.558 57.767 58.200 0.209 0.000 1.012 456 S CB 1.509 64.810 63.200 0.168 0.000 1.044 456 S HN 0.362 nan 8.310 nan 0.000 0.485 457 L N 2.634 123.978 121.223 0.202 0.000 2.341 457 L HA 0.661 4.993 4.340 -0.014 0.000 0.278 457 L C -1.202 175.770 176.870 0.169 0.000 1.005 457 L CA -0.040 54.906 54.840 0.177 0.000 0.818 457 L CB 1.525 43.688 42.059 0.174 0.000 1.259 457 L HN 0.571 nan 8.230 nan 0.000 0.418 458 D N 5.097 125.601 120.400 0.173 0.000 2.696 458 D HA 0.416 5.048 4.640 -0.014 0.000 0.251 458 D C -1.418 175.002 176.300 0.200 0.000 1.188 458 D CA -0.188 53.934 54.000 0.203 0.000 0.876 458 D CB 2.102 43.045 40.800 0.238 0.000 1.334 458 D HN 0.651 nan 8.370 nan 0.000 0.540 459 I N 3.101 123.782 120.570 0.184 0.000 2.533 459 I HA 0.618 4.780 4.170 -0.014 0.000 0.290 459 I C -2.001 174.227 176.117 0.186 0.000 1.056 459 I CA -0.679 60.705 61.300 0.139 0.000 1.057 459 I CB 1.621 39.669 38.000 0.080 0.000 1.240 459 I HN 0.267 nan 8.210 nan 0.000 0.423 460 Y N 4.883 125.245 120.300 0.104 0.000 2.562 460 Y HA 0.787 5.329 4.550 -0.014 0.000 0.345 460 Y C -2.194 173.798 175.900 0.154 0.000 1.045 460 Y CA -1.416 56.743 58.100 0.098 0.000 1.028 460 Y CB 1.392 39.951 38.460 0.165 0.000 1.297 460 Y HN 0.620 nan 8.280 nan 0.000 0.463 461 L N 2.691 124.114 121.223 0.334 0.000 2.341 461 L HA 0.690 5.022 4.340 -0.014 0.000 0.278 461 L C -0.521 176.595 176.870 0.410 0.000 1.005 461 L CA -0.499 54.558 54.840 0.361 0.000 0.818 461 L CB 2.311 44.573 42.059 0.338 0.000 1.259 461 L HN 0.958 nan 8.230 nan 0.000 0.418 462 T N 2.301 117.032 114.554 0.295 0.000 2.886 462 T HA 0.850 5.192 4.350 -0.014 0.000 0.292 462 T C -0.584 173.693 174.700 -0.706 0.000 1.012 462 T CA -0.374 61.667 62.100 -0.098 0.000 0.982 462 T CB 1.456 70.369 68.868 0.075 0.000 1.018 462 T HN 0.794 nan 8.240 nan 0.000 0.451 463 G N 4.218 112.072 108.800 -1.576 0.000 2.601 463 G HA2 0.676 4.628 3.960 -0.014 0.000 0.291 463 G HA3 0.676 4.628 3.960 -0.014 0.000 0.291 463 G C -3.454 170.782 174.900 -1.107 0.000 1.456 463 G CA -0.987 42.760 45.100 -2.255 0.000 0.804 463 G HN 0.531 nan 8.290 nan 0.000 0.499 464 P HA 0.731 nan 4.420 nan 0.000 0.282 464 P C -1.305 176.232 177.300 0.395 0.000 1.259 464 P CA -0.596 62.478 63.100 -0.044 0.000 0.826 464 P CB 1.350 33.004 31.700 -0.077 0.000 1.064 465 F N -2.544 117.498 119.950 0.152 0.000 2.672 465 F HA 0.396 4.915 4.527 -0.014 0.000 0.311 465 F C -1.163 174.786 175.800 0.249 0.000 1.113 465 F CA -1.126 57.026 58.000 0.254 0.000 0.996 465 F CB 0.983 40.180 39.000 0.329 0.000 1.286 465 F HN 0.138 nan 8.300 nan 0.000 0.441 466 Q N 2.739 122.699 119.800 0.265 0.000 2.286 466 Q HA 0.281 4.613 4.340 -0.014 0.000 0.257 466 Q C -1.058 175.227 176.000 0.475 0.000 0.941 466 Q CA -0.156 55.769 55.803 0.203 0.000 0.912 466 Q CB 1.525 30.366 28.738 0.172 0.000 1.192 466 Q HN 0.860 nan 8.270 nan 0.000 0.410 467 F N 2.621 122.767 119.950 0.327 0.000 2.223 467 F HA 0.247 4.766 4.527 -0.014 0.000 0.229 467 F C 0.180 176.115 175.800 0.224 0.000 1.066 467 F CA -0.038 58.171 58.000 0.348 0.000 1.199 467 F CB 0.367 39.582 39.000 0.358 0.000 1.539 467 F HN 0.407 nan 8.300 nan 0.000 0.554 468 L N 1.361 122.643 121.223 0.100 0.000 2.783 468 L HA 0.344 4.675 4.340 -0.014 0.000 0.235 468 L C 0.830 177.704 176.870 0.007 0.000 1.260 468 L CA 0.338 55.103 54.840 -0.126 0.000 1.184 468 L CB 0.107 42.088 42.059 -0.131 0.000 1.472 468 L HN 0.723 nan 8.230 nan 0.000 0.426 469 G N 0.503 109.308 108.800 0.009 0.000 2.189 469 G HA2 -0.286 3.665 3.960 -0.014 0.000 0.267 469 G HA3 -0.286 3.665 3.960 -0.014 0.000 0.267 469 G C 0.456 175.357 174.900 0.001 0.000 0.975 469 G CA 0.272 45.377 45.100 0.009 0.000 0.644 469 G HN 0.489 nan 8.290 nan 0.000 0.537 470 R N -0.475 120.030 120.500 0.008 0.000 2.919 470 R HA 0.665 4.997 4.340 -0.014 0.000 0.260 470 R C -0.956 175.042 176.300 -0.504 0.000 1.067 470 R CA -1.073 54.933 56.100 -0.157 0.000 1.003 470 R CB 1.180 31.427 30.300 -0.088 0.000 1.192 470 R HN 0.074 nan 8.270 nan 0.000 0.488 471 E N 2.430 122.285 120.200 -0.575 0.000 2.146 471 E HA 0.251 4.593 4.350 -0.014 0.000 0.282 471 E C -0.484 175.585 176.600 -0.885 0.000 0.989 471 E CA -0.213 55.814 56.400 -0.622 0.000 0.799 471 E CB 1.099 30.620 29.700 -0.298 0.000 1.088 471 E HN 0.473 nan 8.360 nan 0.000 0.397 472 H N 0.796 119.578 119.070 -0.480 0.000 2.812 472 H HA 0.495 5.043 4.556 -0.014 0.000 0.355 472 H C 0.146 175.134 175.328 -0.567 0.000 1.207 472 H CA -0.808 54.868 56.048 -0.619 0.000 1.217 472 H CB 1.851 31.075 29.762 -0.897 0.000 1.874 472 H HN 0.498 nan 8.280 nan 0.000 0.581 473 E N 0.464 120.519 120.200 -0.242 0.000 2.433 473 E HA 0.620 4.961 4.350 -0.014 0.000 0.273 473 E C -1.611 175.020 176.600 0.051 0.000 0.950 473 E CA -1.126 55.229 56.400 -0.075 0.000 0.796 473 E CB 2.716 32.302 29.700 -0.190 0.000 1.330 473 E HN 0.216 nan 8.360 nan 0.000 0.455 474 L N 0.793 122.012 121.223 -0.007 0.000 2.472 474 L HA 0.504 4.835 4.340 -0.014 0.000 0.260 474 L C -1.870 174.962 176.870 -0.063 0.000 0.963 474 L CA -0.683 54.157 54.840 -0.001 0.000 0.829 474 L CB 2.428 44.530 42.059 0.072 0.000 1.348 474 L HN 0.607 nan 8.230 nan 0.000 0.408 475 V N 3.123 123.042 119.914 0.008 0.000 2.540 475 V HA 0.812 4.924 4.120 -0.014 0.000 0.302 475 V C -0.717 175.452 176.094 0.125 0.000 1.035 475 V CA -0.872 61.476 62.300 0.080 0.000 0.873 475 V CB 1.551 33.418 31.823 0.074 0.000 0.992 475 V HN 0.596 nan 8.190 nan 0.000 0.428 476 V N 3.360 123.361 119.914 0.146 0.000 2.638 476 V HA 1.035 5.147 4.120 -0.014 0.000 0.306 476 V C 0.086 176.142 176.094 -0.064 0.000 1.052 476 V CA 0.584 62.901 62.300 0.028 0.000 0.885 476 V CB 1.682 33.528 31.823 0.039 0.000 0.999 476 V HN 1.311 nan 8.190 nan 0.000 0.424 477 G N 2.785 111.295 108.800 -0.483 0.000 2.698 477 G HA2 0.617 4.569 3.960 -0.014 0.000 0.293 477 G HA3 0.617 4.569 3.960 -0.014 0.000 0.293 477 G C -1.247 173.163 174.900 -0.818 0.000 1.437 477 G CA -0.158 44.569 45.100 -0.622 0.000 0.852 477 G HN 0.878 nan 8.290 nan 0.000 0.499 478 T N -1.013 113.336 114.554 -0.341 0.000 2.906 478 T HA 0.798 5.140 4.350 -0.014 0.000 0.295 478 T C -0.450 174.259 174.700 0.015 0.000 1.061 478 T CA 0.109 62.114 62.100 -0.160 0.000 1.000 478 T CB 1.594 70.422 68.868 -0.065 0.000 1.103 478 T HN 1.688 nan 8.240 nan 0.000 0.486 479 S N 1.453 117.199 115.700 0.078 0.000 2.556 479 S HA 0.882 5.344 4.470 -0.014 0.000 0.271 479 S C -1.448 173.201 174.600 0.082 0.000 1.135 479 S CA -0.572 57.704 58.200 0.127 0.000 0.858 479 S CB 1.643 64.958 63.200 0.191 0.000 1.114 479 S HN 1.262 nan 8.310 nan 0.000 0.468 480 A N 1.558 124.430 122.820 0.085 0.000 2.437 480 A HA 0.843 5.155 4.320 -0.014 0.000 0.293 480 A C -0.405 177.193 177.584 0.024 0.000 1.038 480 A CA -0.348 51.705 52.037 0.026 0.000 0.708 480 A CB 1.294 20.385 19.000 0.151 0.000 1.251 480 A HN 1.966 nan 8.150 nan 0.000 0.409 481 S N 0.793 116.386 115.700 -0.178 0.000 2.541 481 S HA 0.907 5.368 4.470 -0.014 0.000 0.280 481 S C -1.168 173.230 174.600 -0.336 0.000 1.112 481 S CA -0.594 57.556 58.200 -0.083 0.000 0.925 481 S CB 1.134 64.329 63.200 -0.009 0.000 1.067 481 S HN 0.616 nan 8.310 nan 0.000 0.479 482 F N 1.399 121.379 119.950 0.050 0.000 2.562 482 F HA 0.661 5.179 4.527 -0.014 0.000 0.319 482 F C 0.150 176.003 175.800 0.088 0.000 1.154 482 F CA -0.267 57.764 58.000 0.051 0.000 0.931 482 F CB 2.455 41.488 39.000 0.055 0.000 1.198 482 F HN 0.872 nan 8.300 nan 0.000 0.444 483 S N 1.359 117.220 115.700 0.268 0.000 2.549 483 S HA 0.582 5.044 4.470 -0.014 0.000 0.280 483 S C -1.587 173.267 174.600 0.423 0.000 1.109 483 S CA -0.735 57.652 58.200 0.312 0.000 0.905 483 S CB 2.090 65.463 63.200 0.290 0.000 1.081 483 S HN 0.841 nan 8.310 nan 0.000 0.477 484 H N 0.981 120.210 119.070 0.267 0.000 3.092 484 H HA 0.322 4.871 4.556 -0.012 0.000 0.308 484 H C -1.813 173.642 175.328 0.212 0.000 1.047 484 H CA -0.562 55.623 56.048 0.228 0.000 1.466 484 H CB 0.545 30.406 29.762 0.165 0.000 1.597 484 H HN 0.757 nan 8.280 nan 0.000 0.512 485 W N 6.049 127.356 121.300 0.012 0.000 2.322 485 W HA 0.322 4.972 4.660 -0.017 0.000 0.307 485 W C -1.115 175.312 176.519 -0.152 0.000 1.220 485 W CA -0.535 56.673 57.345 -0.229 0.000 1.210 485 W CB 0.613 29.722 29.460 -0.584 0.000 1.223 485 W HN 0.626 nan 8.180 nan 0.000 0.511 486 E N 3.441 123.594 120.200 -0.079 0.000 2.272 486 E HA 0.714 5.055 4.350 -0.014 0.000 0.269 486 E C -0.184 176.282 176.600 -0.222 0.000 0.877 486 E CA -0.753 55.484 56.400 -0.271 0.000 0.755 486 E CB 2.077 31.638 29.700 -0.232 0.000 1.192 486 E HN 0.590 nan 8.360 nan 0.000 0.422 487 G N 1.628 110.251 108.800 -0.295 0.000 2.600 487 G HA2 0.522 4.474 3.960 -0.014 0.000 0.293 487 G HA3 0.522 4.474 3.960 -0.014 0.000 0.293 487 G C -1.521 173.238 174.900 -0.234 0.000 1.408 487 G CA -0.711 44.282 45.100 -0.178 0.000 0.782 487 G HN 0.251 nan 8.290 nan 0.000 0.482 488 K N -0.004 120.255 120.400 -0.235 0.000 2.468 488 K HA 0.663 4.975 4.320 -0.014 0.000 0.252 488 K C -1.046 175.337 176.600 -0.362 0.000 0.932 488 K CA -0.587 55.415 56.287 -0.475 0.000 0.794 488 K CB 2.333 34.561 32.500 -0.453 0.000 1.241 488 K HN 0.450 nan 8.250 nan 0.000 0.428 489 S N 1.519 116.887 115.700 -0.553 0.000 2.532 489 S HA 0.513 4.975 4.470 -0.014 0.000 0.301 489 S C -1.360 172.714 174.600 -0.876 0.000 1.083 489 S CA -0.693 57.208 58.200 -0.498 0.000 1.025 489 S CB 0.681 63.793 63.200 -0.147 0.000 1.056 489 S HN 0.390 nan 8.310 nan 0.000 0.494 490 Y N 1.606 121.536 120.300 -0.616 0.000 2.332 490 Y HA 0.385 4.943 4.550 0.013 0.000 0.326 490 Y C 0.013 175.777 175.900 -0.227 0.000 0.978 490 Y CA -0.908 56.914 58.100 -0.465 0.000 1.205 490 Y CB 0.991 39.263 38.460 -0.313 0.000 1.131 490 Y HN 0.982 nan 8.280 nan 0.000 0.462 491 W N 0.126 121.446 121.300 0.033 0.000 2.555 491 W HA 0.371 5.025 4.660 -0.010 0.000 0.324 491 W C -0.726 175.849 176.519 0.093 0.000 0.973 491 W CA -0.468 56.924 57.345 0.077 0.000 1.481 491 W CB 0.016 29.502 29.460 0.044 0.000 1.064 491 W HN 0.145 nan 8.180 nan 0.000 0.543 492 N N 3.256 122.025 118.700 0.115 0.000 3.124 492 N HA 0.164 4.896 4.740 -0.014 0.000 0.284 492 N C -0.143 175.432 175.510 0.107 0.000 1.209 492 N CA 0.177 53.310 53.050 0.138 0.000 1.149 492 N CB 0.111 38.620 38.487 0.037 0.000 1.434 492 N HN 0.144 nan 8.380 nan 0.000 0.529 493 L N 1.277 122.571 121.223 0.117 0.000 2.485 493 L HA 0.153 4.484 4.340 -0.014 0.000 0.275 493 L C 0.887 177.765 176.870 0.013 0.000 1.207 493 L CA 0.057 54.904 54.840 0.012 0.000 0.855 493 L CB 0.393 42.434 42.059 -0.029 0.000 1.114 493 L HN 0.076 nan 8.230 nan 0.000 0.485 494 R N 2.976 123.453 120.500 -0.038 0.000 2.310 494 R HA 0.230 4.562 4.340 -0.014 0.000 0.324 494 R C -0.170 176.120 176.300 -0.015 0.000 0.955 494 R CA -0.772 55.318 56.100 -0.016 0.000 0.830 494 R CB 0.850 31.133 30.300 -0.028 0.000 1.154 494 R HN 0.624 nan 8.270 nan 0.000 0.458 495 N N 0.734 119.447 118.700 0.021 0.000 2.754 495 N HA -0.274 4.458 4.740 -0.014 0.000 0.248 495 N C -1.099 174.454 175.510 0.073 0.000 1.093 495 N CA 0.724 53.791 53.050 0.028 0.000 0.699 495 N CB -1.435 37.053 38.487 0.002 0.000 1.016 495 N HN 0.552 nan 8.380 nan 0.000 0.552 496 Y N 1.241 121.492 120.300 -0.081 0.000 2.308 496 Y HA 0.397 4.944 4.550 -0.005 0.000 0.329 496 Y C 0.014 175.881 175.900 -0.054 0.000 1.111 496 Y CA -1.495 56.550 58.100 -0.091 0.000 1.179 496 Y CB 0.942 39.332 38.460 -0.116 0.000 1.201 496 Y HN 0.097 nan 8.280 nan 0.000 0.483 497 D N 4.659 124.805 120.400 -0.423 0.000 2.485 497 D HA 0.080 4.712 4.640 -0.014 0.000 0.229 497 D C 0.184 176.052 176.300 -0.721 0.000 1.101 497 D CA -0.407 53.339 54.000 -0.423 0.000 0.906 497 D CB -0.018 40.641 40.800 -0.235 0.000 1.019 497 D HN 0.670 nan 8.370 nan 0.000 0.516 498 N N 2.092 120.400 118.700 -0.652 0.000 2.449 498 N HA -0.073 4.659 4.740 -0.014 0.000 0.191 498 N C 0.241 175.565 175.510 -0.312 0.000 1.161 498 N CA -0.146 52.575 53.050 -0.549 0.000 0.863 498 N CB -0.282 38.077 38.487 -0.213 0.000 0.980 498 N HN 0.375 nan 8.380 nan 0.000 0.458 499 T N -2.066 112.319 114.554 -0.280 0.000 2.910 499 T HA 0.294 4.636 4.350 -0.014 0.000 0.293 499 T C -0.190 174.414 174.700 -0.161 0.000 1.015 499 T CA -0.419 61.531 62.100 -0.250 0.000 1.094 499 T CB 1.649 70.390 68.868 -0.211 0.000 0.968 499 T HN 0.059 nan 8.240 nan 0.000 0.521 500 T N 1.223 115.693 114.554 -0.141 0.000 2.861 500 T HA 0.308 4.649 4.350 -0.014 0.000 0.287 500 T C 0.960 175.665 174.700 0.009 0.000 1.003 500 T CA -0.627 61.475 62.100 0.003 0.000 0.977 500 T CB 1.132 70.074 68.868 0.123 0.000 0.996 500 T HN 0.815 nan 8.240 nan 0.000 0.448 501 D N 2.564 122.995 120.400 0.052 0.000 2.347 501 D HA -0.025 4.607 4.640 -0.014 0.000 0.215 501 D C 0.041 176.400 176.300 0.099 0.000 0.976 501 D CA 0.279 54.310 54.000 0.052 0.000 0.884 501 D CB 0.422 41.249 40.800 0.045 0.000 0.915 501 D HN 0.443 nan 8.370 nan 0.000 0.526 502 D N -0.607 119.887 120.400 0.156 0.000 2.336 502 D HA 0.073 4.705 4.640 -0.014 0.000 0.248 502 D C -0.286 176.195 176.300 0.302 0.000 1.326 502 D CA -0.823 53.299 54.000 0.203 0.000 0.973 502 D CB 0.462 41.357 40.800 0.158 0.000 1.255 502 D HN -0.111 nan 8.370 nan 0.000 0.558 503 F N 3.556 123.610 119.950 0.174 0.000 2.094 503 F HA 0.092 4.611 4.527 -0.014 0.000 0.291 503 F C 1.890 177.906 175.800 0.360 0.000 1.109 503 F CA 0.987 59.128 58.000 0.236 0.000 1.221 503 F CB -0.058 39.034 39.000 0.154 0.000 1.014 503 F HN 0.380 nan 8.300 nan 0.000 0.473 504 I N 0.880 121.714 120.570 0.440 0.000 2.236 504 I HA -0.399 3.763 4.170 -0.014 0.000 0.249 504 I C 0.932 177.179 176.117 0.217 0.000 1.102 504 I CA 2.137 63.623 61.300 0.309 0.000 1.365 504 I CB -0.551 37.610 38.000 0.268 0.000 1.051 504 I HN 0.301 nan 8.210 nan 0.000 0.420 505 N N -0.812 118.003 118.700 0.192 0.000 2.238 505 N HA -0.002 4.730 4.740 -0.014 0.000 0.222 505 N C -0.073 175.504 175.510 0.111 0.000 1.133 505 N CA -0.370 52.760 53.050 0.133 0.000 0.854 505 N CB 0.159 38.706 38.487 0.099 0.000 1.041 505 N HN 0.315 nan 8.380 nan 0.000 0.510 506 W N 1.876 123.111 121.300 -0.109 0.000 2.477 506 W HA -0.160 4.490 4.660 -0.016 0.000 0.339 506 W C 0.105 176.468 176.519 -0.259 0.000 1.195 506 W CA 1.017 58.234 57.345 -0.213 0.000 1.324 506 W CB 0.607 29.860 29.460 -0.346 0.000 1.170 506 W HN 0.194 nan 8.180 nan 0.000 0.570 507 D N 1.823 121.691 120.400 -0.886 0.000 2.510 507 D HA 0.115 4.747 4.640 -0.014 0.000 0.234 507 D C 1.418 176.760 176.300 -1.597 0.000 1.178 507 D CA 0.772 54.271 54.000 -0.835 0.000 0.816 507 D CB 0.160 40.653 40.800 -0.513 0.000 1.143 507 D HN 0.693 nan 8.370 nan 0.000 0.526 508 G N 1.783 109.115 108.800 -2.447 0.000 2.162 508 G HA2 -0.263 3.689 3.960 -0.014 0.000 0.260 508 G HA3 -0.263 3.689 3.960 -0.014 0.000 0.260 508 G C 0.136 174.330 174.900 -1.175 0.000 0.976 508 G CA 0.365 44.263 45.100 -2.003 0.000 0.655 508 G HN 0.416 nan 8.290 nan 0.000 0.533 509 D N 0.620 120.424 120.400 -0.993 0.000 2.564 509 D HA 0.514 5.145 4.640 -0.014 0.000 0.226 509 D C 0.391 176.583 176.300 -0.179 0.000 1.149 509 D CA -0.381 53.365 54.000 -0.424 0.000 0.994 509 D CB -0.408 40.205 40.800 -0.311 0.000 1.029 509 D HN 0.442 nan 8.370 nan 0.000 0.517 510 I N 0.857 121.424 120.570 -0.005 0.000 2.892 510 I HA 0.600 4.762 4.170 -0.014 0.000 0.306 510 I C 0.793 177.127 176.117 0.361 0.000 1.078 510 I CA -1.031 60.410 61.300 0.235 0.000 1.032 510 I CB 1.933 40.198 38.000 0.441 0.000 1.229 510 I HN 0.285 nan 8.210 nan 0.000 0.435 511 G N 3.387 112.358 108.800 0.285 0.000 2.684 511 G HA2 0.124 4.076 3.960 -0.014 0.000 0.255 511 G HA3 0.124 4.076 3.960 -0.014 0.000 0.255 511 G C -0.803 174.217 174.900 0.199 0.000 1.219 511 G CA -0.365 44.864 45.100 0.215 0.000 0.901 511 G HN 0.695 nan 8.290 nan 0.000 0.548 512 K N 0.852 121.075 120.400 -0.294 0.000 2.206 512 K HA 0.487 4.798 4.320 -0.014 0.000 0.264 512 K C -2.150 173.891 176.600 -0.930 0.000 0.967 512 K CA -1.605 54.072 56.287 -1.017 0.000 0.844 512 K CB 1.869 33.658 32.500 -1.186 0.000 1.099 512 K HN 0.309 nan 8.250 nan 0.000 0.441 513 P HA 0.119 nan 4.420 nan 0.000 0.279 513 P C -1.134 175.467 177.300 -1.166 0.000 1.276 513 P CA -0.417 61.840 63.100 -1.405 0.000 0.801 513 P CB 0.591 31.075 31.700 -2.026 0.000 1.127 514 D N -0.329 119.632 120.400 -0.732 0.000 2.316 514 D HA 0.059 4.691 4.640 -0.014 0.000 0.245 514 D C 0.425 176.421 176.300 -0.507 0.000 1.171 514 D CA -0.276 53.404 54.000 -0.533 0.000 0.856 514 D CB 0.107 40.748 40.800 -0.264 0.000 1.090 514 D HN 0.274 nan 8.370 nan 0.000 0.476 515 W N 3.636 124.784 121.300 -0.253 0.000 2.595 515 W HA 0.122 4.745 4.660 -0.062 0.000 0.257 515 W C 1.859 178.351 176.519 -0.046 0.000 1.267 515 W CA 0.345 57.554 57.345 -0.225 0.000 1.300 515 W CB -0.127 29.029 29.460 -0.507 0.000 1.120 515 W HN 0.724 nan 8.180 nan 0.000 0.618 516 G N 0.558 109.418 108.800 0.100 0.000 2.552 516 G HA2 -0.296 3.656 3.960 -0.014 0.000 0.265 516 G HA3 -0.296 3.656 3.960 -0.014 0.000 0.265 516 G C 0.155 175.184 174.900 0.214 0.000 1.234 516 G CA 0.364 45.524 45.100 0.100 0.000 0.944 516 G HN 0.264 nan 8.290 nan 0.000 0.568 517 T N -0.441 114.183 114.554 0.117 0.000 2.944 517 T HA 0.678 5.020 4.350 -0.014 0.000 0.284 517 T C -2.786 171.767 174.700 -0.246 0.000 1.010 517 T CA -1.183 60.953 62.100 0.061 0.000 1.025 517 T CB 1.982 70.852 68.868 0.003 0.000 1.079 517 T HN 0.552 nan 8.240 nan 0.000 0.516 518 P HA 0.194 nan 4.420 nan 0.000 0.263 518 P C 0.451 177.280 177.300 -0.785 0.000 1.195 518 P CA 0.024 62.465 63.100 -1.099 0.000 0.762 518 P CB 0.371 31.452 31.700 -1.031 0.000 0.799 519 S N 1.308 116.402 115.700 -1.009 0.000 2.453 519 S HA -0.088 4.373 4.470 -0.014 0.000 0.231 519 S C 0.693 174.793 174.600 -0.834 0.000 1.005 519 S CA 0.761 58.318 58.200 -1.071 0.000 0.949 519 S CB -0.154 61.728 63.200 -2.196 0.000 0.774 519 S HN 0.616 nan 8.310 nan 0.000 0.510 520 Q N -1.026 118.298 119.800 -0.792 0.000 2.426 520 Q HA 0.397 4.729 4.340 -0.014 0.000 0.278 520 Q C -2.312 173.376 176.000 -0.520 0.000 1.007 520 Q CA -0.671 54.874 55.803 -0.430 0.000 0.850 520 Q CB 1.045 29.628 28.738 -0.258 0.000 1.427 520 Q HN 0.238 nan 8.270 nan 0.000 0.391 521 Y N 2.521 122.701 120.300 -0.199 0.000 2.326 521 Y HA 0.418 4.961 4.550 -0.013 0.000 0.331 521 Y C -0.101 175.678 175.900 -0.201 0.000 0.962 521 Y CA -0.830 57.152 58.100 -0.198 0.000 1.167 521 Y CB 1.320 39.684 38.460 -0.159 0.000 1.148 521 Y HN 0.460 nan 8.280 nan 0.000 0.463 522 I N 2.741 123.192 120.570 -0.198 0.000 2.519 522 I HA 0.227 4.389 4.170 -0.014 0.000 0.287 522 I C -0.383 175.551 176.117 -0.305 0.000 1.047 522 I CA -0.244 60.815 61.300 -0.402 0.000 1.381 522 I CB 1.336 38.773 38.000 -0.939 0.000 1.417 522 I HN 0.680 nan 8.210 nan 0.000 0.540 523 D N 3.126 123.384 120.400 -0.235 0.000 2.419 523 D HA 0.362 4.993 4.640 -0.014 0.000 0.219 523 D C -1.650 174.676 176.300 0.044 0.000 1.349 523 D CA -0.199 53.769 54.000 -0.054 0.000 0.964 523 D CB 1.047 41.877 40.800 0.051 0.000 1.463 523 D HN 0.514 nan 8.370 nan 0.000 0.573 524 D N 2.191 122.684 120.400 0.155 0.000 2.863 524 D HA 0.417 5.049 4.640 -0.014 0.000 0.245 524 D C -1.235 175.299 176.300 0.391 0.000 1.211 524 D CA -0.520 53.649 54.000 0.283 0.000 0.888 524 D CB 1.278 42.332 40.800 0.424 0.000 1.483 524 D HN 0.096 nan 8.370 nan 0.000 0.533 525 K N 1.935 122.503 120.400 0.279 0.000 2.376 525 K HA 0.586 4.898 4.320 -0.014 0.000 0.257 525 K C -0.912 175.789 176.600 0.168 0.000 0.939 525 K CA -0.768 55.649 56.287 0.218 0.000 0.809 525 K CB 2.144 34.663 32.500 0.032 0.000 1.121 525 K HN 0.249 nan 8.250 nan 0.000 0.425 526 T N 2.283 116.926 114.554 0.149 0.000 2.859 526 T HA 0.376 4.717 4.350 -0.014 0.000 0.281 526 T C -0.631 173.957 174.700 -0.186 0.000 1.005 526 T CA -0.766 61.267 62.100 -0.111 0.000 1.025 526 T CB 1.127 69.859 68.868 -0.228 0.000 0.977 526 T HN 0.312 nan 8.240 nan 0.000 0.458 527 R N 2.511 122.799 120.500 -0.353 0.000 2.500 527 R HA 0.255 4.587 4.340 -0.014 0.000 0.299 527 R C -1.358 174.679 176.300 -0.438 0.000 1.038 527 R CA -0.469 55.379 56.100 -0.419 0.000 0.903 527 R CB 1.364 31.468 30.300 -0.326 0.000 1.177 527 R HN 0.627 nan 8.270 nan 0.000 0.455 528 Q N 4.853 124.420 119.800 -0.387 0.000 2.293 528 Q HA 0.461 4.793 4.340 -0.014 0.000 0.261 528 Q C -0.903 174.989 176.000 -0.180 0.000 0.960 528 Q CA -0.721 54.968 55.803 -0.190 0.000 0.882 528 Q CB 2.074 30.771 28.738 -0.069 0.000 1.275 528 Q HN 0.548 nan 8.270 nan 0.000 0.445 529 L N 1.578 122.756 121.223 -0.075 0.000 2.356 529 L HA 0.740 5.072 4.340 -0.014 0.000 0.277 529 L C 0.109 177.002 176.870 0.037 0.000 0.996 529 L CA -0.812 54.007 54.840 -0.034 0.000 0.822 529 L CB 2.163 44.205 42.059 -0.027 0.000 1.256 529 L HN 0.634 nan 8.230 nan 0.000 0.413 530 G N 0.873 109.709 108.800 0.060 0.000 2.563 530 G HA2 0.704 4.656 3.960 -0.014 0.000 0.302 530 G HA3 0.704 4.656 3.960 -0.014 0.000 0.302 530 G C -1.429 173.528 174.900 0.094 0.000 1.301 530 G CA -0.366 44.795 45.100 0.101 0.000 0.965 530 G HN 0.411 nan 8.290 nan 0.000 0.480 531 S N -0.331 115.431 115.700 0.103 0.000 2.614 531 S HA 0.696 5.158 4.470 -0.014 0.000 0.275 531 S C -1.462 173.190 174.600 0.086 0.000 1.161 531 S CA -0.546 57.661 58.200 0.012 0.000 0.969 531 S CB 1.012 64.222 63.200 0.017 0.000 1.059 531 S HN 0.791 nan 8.310 nan 0.000 0.482 532 Y N 0.169 120.485 120.300 0.028 0.000 2.562 532 Y HA 0.855 5.396 4.550 -0.014 0.000 0.345 532 Y C -0.821 175.086 175.900 0.012 0.000 1.045 532 Y CA -1.451 56.649 58.100 -0.000 0.000 1.028 532 Y CB 1.565 39.992 38.460 -0.055 0.000 1.297 532 Y HN 0.588 nan 8.280 nan 0.000 0.463 533 M N 2.702 122.430 119.600 0.214 0.000 2.265 533 M HA 0.545 5.017 4.480 -0.014 0.000 0.262 533 M C -2.244 174.122 176.300 0.111 0.000 1.026 533 M CA 0.019 55.399 55.300 0.134 0.000 0.987 533 M CB 2.010 34.664 32.600 0.090 0.000 1.937 533 M HN 0.839 nan 8.290 nan 0.000 0.481 534 T N 3.394 117.990 114.554 0.071 0.000 2.841 534 T HA 0.897 5.239 4.350 -0.014 0.000 0.283 534 T C -0.943 173.754 174.700 -0.004 0.000 1.000 534 T CA -0.609 61.507 62.100 0.026 0.000 0.977 534 T CB 1.719 70.550 68.868 -0.061 0.000 0.979 534 T HN 0.733 nan 8.240 nan 0.000 0.446 535 A N 2.827 125.627 122.820 -0.034 0.000 2.355 535 A HA 0.801 5.113 4.320 -0.014 0.000 0.317 535 A C -0.353 176.998 177.584 -0.389 0.000 1.094 535 A CA -0.859 51.046 52.037 -0.221 0.000 0.764 535 A CB 1.115 19.925 19.000 -0.316 0.000 1.230 535 A HN 0.775 nan 8.150 nan 0.000 0.448 536 R N 2.423 122.616 120.500 -0.511 0.000 2.337 536 R HA 0.568 4.900 4.340 -0.014 0.000 0.319 536 R C -1.923 174.091 176.300 -0.477 0.000 0.954 536 R CA -0.306 55.411 56.100 -0.638 0.000 0.840 536 R CB 0.432 30.302 30.300 -0.716 0.000 1.164 536 R HN 0.549 nan 8.270 nan 0.000 0.472 537 F N 2.576 122.430 119.950 -0.160 0.000 2.415 537 F HA 0.275 4.794 4.527 -0.014 0.000 0.348 537 F C 0.865 176.716 175.800 0.084 0.000 1.119 537 F CA -0.691 57.296 58.000 -0.022 0.000 1.069 537 F CB 1.493 40.408 39.000 -0.140 0.000 1.124 537 F HN 0.415 nan 8.300 nan 0.000 0.472 538 N N 3.565 122.549 118.700 0.474 0.000 2.663 538 N HA 0.133 4.864 4.740 -0.014 0.000 0.250 538 N C 0.669 176.330 175.510 0.251 0.000 1.129 538 N CA -0.069 53.107 53.050 0.210 0.000 0.995 538 N CB 0.789 39.287 38.487 0.018 0.000 1.324 538 N HN 0.462 nan 8.380 nan 0.000 0.512 539 V N 1.627 121.664 119.914 0.206 0.000 2.346 539 V HA -0.070 4.042 4.120 -0.014 0.000 0.244 539 V C 1.537 177.707 176.094 0.128 0.000 1.037 539 V CA 1.592 63.992 62.300 0.166 0.000 1.029 539 V CB -0.638 31.257 31.823 0.119 0.000 0.663 539 V HN 0.734 nan 8.190 nan 0.000 0.454 540 T N -3.627 110.997 114.554 0.116 0.000 2.724 540 T HA 0.284 4.625 4.350 -0.014 0.000 0.274 540 T C 0.375 175.114 174.700 0.065 0.000 0.984 540 T CA -0.332 61.822 62.100 0.090 0.000 1.024 540 T CB 1.645 70.578 68.868 0.108 0.000 1.320 540 T HN 0.112 nan 8.240 nan 0.000 0.555 541 D N 0.487 120.912 120.400 0.041 0.000 2.348 541 D HA 0.009 4.641 4.640 -0.014 0.000 0.216 541 D C 0.259 176.553 176.300 -0.009 0.000 0.970 541 D CA 0.822 54.828 54.000 0.010 0.000 0.889 541 D CB 0.141 40.941 40.800 -0.000 0.000 0.912 541 D HN 0.544 nan 8.370 nan 0.000 0.524 542 D N 0.176 120.578 120.400 0.002 0.000 2.500 542 D HA 0.083 4.715 4.640 -0.014 0.000 0.217 542 D C 0.261 176.562 176.300 0.002 0.000 1.159 542 D CA -0.195 53.750 54.000 -0.092 0.000 0.828 542 D CB 1.208 41.815 40.800 -0.321 0.000 1.039 542 D HN 0.084 nan 8.370 nan 0.000 0.512 543 L N 1.483 122.788 121.223 0.136 0.000 2.404 543 L HA 0.394 4.726 4.340 -0.014 0.000 0.272 543 L C -1.460 175.518 176.870 0.180 0.000 0.980 543 L CA -0.390 54.594 54.840 0.241 0.000 0.836 543 L CB 1.531 43.783 42.059 0.321 0.000 1.238 543 L HN -0.242 nan 8.230 nan 0.000 0.408 544 N N 5.349 124.161 118.700 0.186 0.000 2.417 544 N HA 0.423 5.155 4.740 -0.014 0.000 0.274 544 N C -1.469 174.163 175.510 0.204 0.000 0.987 544 N CA -0.591 52.548 53.050 0.149 0.000 0.912 544 N CB 2.671 41.209 38.487 0.085 0.000 1.177 544 N HN 0.417 nan 8.380 nan 0.000 0.490 545 L N 2.772 124.102 121.223 0.179 0.000 2.295 545 L HA 0.567 4.899 4.340 -0.014 0.000 0.285 545 L C -1.323 175.664 176.870 0.195 0.000 1.035 545 L CA -0.376 54.615 54.840 0.251 0.000 0.806 545 L CB 0.503 42.707 42.059 0.242 0.000 1.214 545 L HN 0.326 nan 8.230 nan 0.000 0.426 546 F N 5.767 125.853 119.950 0.226 0.000 2.427 546 F HA 0.603 5.122 4.527 -0.014 0.000 0.346 546 F C -0.416 175.552 175.800 0.279 0.000 1.120 546 F CA -0.321 57.825 58.000 0.243 0.000 1.033 546 F CB 1.307 40.494 39.000 0.312 0.000 1.126 546 F HN 0.216 nan 8.300 nan 0.000 0.462 547 L N 3.598 125.065 121.223 0.407 0.000 2.441 547 L HA 0.833 5.165 4.340 -0.014 0.000 0.270 547 L C -0.065 176.988 176.870 0.304 0.000 0.973 547 L CA -0.363 54.695 54.840 0.365 0.000 0.842 547 L CB 1.766 44.028 42.059 0.338 0.000 1.239 547 L HN 0.796 nan 8.230 nan 0.000 0.406 548 G N 1.409 110.408 108.800 0.333 0.000 2.570 548 G HA2 0.794 4.746 3.960 -0.014 0.000 0.310 548 G HA3 0.794 4.746 3.960 -0.014 0.000 0.310 548 G C -1.177 173.862 174.900 0.233 0.000 1.266 548 G CA 0.032 45.277 45.100 0.242 0.000 0.825 548 G HN 0.857 nan 8.290 nan 0.000 0.483 549 G N -1.337 107.538 108.800 0.125 0.000 2.349 549 G HA2 0.573 4.525 3.960 -0.014 0.000 0.294 549 G HA3 0.573 4.525 3.960 -0.014 0.000 0.294 549 G C -1.806 173.063 174.900 -0.052 0.000 1.380 549 G CA -0.653 44.384 45.100 -0.106 0.000 0.811 549 G HN 0.574 nan 8.290 nan 0.000 0.519 550 R N -0.621 119.765 120.500 -0.191 0.000 2.562 550 R HA 0.674 5.006 4.340 -0.014 0.000 0.298 550 R C -1.004 175.300 176.300 0.007 0.000 0.961 550 R CA -0.678 55.416 56.100 -0.010 0.000 0.881 550 R CB 2.050 32.331 30.300 -0.031 0.000 1.159 550 R HN 0.747 nan 8.270 nan 0.000 0.450 551 V N 4.983 124.983 119.914 0.144 0.000 2.483 551 V HA 0.680 4.792 4.120 -0.014 0.000 0.295 551 V C -1.241 174.941 176.094 0.147 0.000 1.035 551 V CA -0.273 62.141 62.300 0.189 0.000 0.896 551 V CB 1.791 33.759 31.823 0.240 0.000 0.986 551 V HN 0.530 nan 8.190 nan 0.000 0.447 552 V N 5.494 125.507 119.914 0.165 0.000 2.808 552 V HA 0.559 4.671 4.120 -0.014 0.000 0.308 552 V C -1.318 174.889 176.094 0.188 0.000 1.099 552 V CA -0.512 61.894 62.300 0.176 0.000 0.920 552 V CB 2.025 33.989 31.823 0.235 0.000 1.014 552 V HN 1.038 nan 8.190 nan 0.000 0.425 553 D N 2.704 123.199 120.400 0.159 0.000 2.757 553 D HA 0.418 5.050 4.640 -0.014 0.000 0.249 553 D C -1.781 174.625 176.300 0.175 0.000 1.168 553 D CA -0.299 53.788 54.000 0.146 0.000 0.870 553 D CB 1.742 42.592 40.800 0.083 0.000 1.411 553 D HN 0.480 nan 8.370 nan 0.000 0.525 554 Y N 3.471 123.798 120.300 0.045 0.000 2.331 554 Y HA 0.395 4.937 4.550 -0.014 0.000 0.326 554 Y C -1.155 174.758 175.900 0.022 0.000 1.020 554 Y CA -0.896 57.216 58.100 0.020 0.000 1.136 554 Y CB 1.178 39.674 38.460 0.060 0.000 1.157 554 Y HN 0.429 nan 8.280 nan 0.000 0.444 555 R N 5.792 126.180 120.500 -0.187 0.000 2.513 555 R HA 0.743 5.074 4.340 -0.014 0.000 0.301 555 R C -2.356 173.829 176.300 -0.192 0.000 0.968 555 R CA -0.780 55.265 56.100 -0.093 0.000 0.872 555 R CB 1.834 32.110 30.300 -0.039 0.000 1.177 555 R HN 0.513 nan 8.270 nan 0.000 0.444 556 V N 4.136 124.014 119.914 -0.060 0.000 2.444 556 V HA 0.578 4.690 4.120 -0.014 0.000 0.294 556 V C -1.387 174.744 176.094 0.062 0.000 1.022 556 V CA 0.011 62.303 62.300 -0.014 0.000 0.850 556 V CB 1.920 33.758 31.823 0.026 0.000 0.992 556 V HN 0.942 nan 8.190 nan 0.000 0.426 557 T N 4.926 119.524 114.554 0.073 0.000 2.900 557 T HA 0.937 5.279 4.350 -0.014 0.000 0.295 557 T C 0.095 174.853 174.700 0.096 0.000 1.044 557 T CA 0.452 62.595 62.100 0.072 0.000 0.995 557 T CB 1.518 70.412 68.868 0.043 0.000 1.072 557 T HN 1.620 nan 8.240 nan 0.000 0.473 558 G N 1.176 110.026 108.800 0.083 0.000 2.295 558 G HA2 0.005 3.957 3.960 -0.014 0.000 0.155 558 G HA3 0.005 3.957 3.960 -0.014 0.000 0.155 558 G C 0.006 174.952 174.900 0.078 0.000 1.307 558 G CA -0.497 44.655 45.100 0.086 0.000 1.140 558 G HN 0.652 nan 8.290 nan 0.000 0.470 559 L N 1.608 122.878 121.223 0.079 0.000 2.554 559 L HA 0.247 4.579 4.340 -0.014 0.000 0.226 559 L C 0.743 177.669 176.870 0.093 0.000 1.137 559 L CA 0.251 55.133 54.840 0.071 0.000 0.863 559 L CB -0.542 41.548 42.059 0.052 0.000 0.985 559 L HN 0.271 nan 8.230 nan 0.000 0.451 560 N N 0.258 119.029 118.700 0.119 0.000 2.478 560 N HA 0.353 5.085 4.740 -0.014 0.000 0.275 560 N C -2.371 173.203 175.510 0.106 0.000 1.221 560 N CA -1.508 51.620 53.050 0.130 0.000 0.979 560 N CB 0.022 38.614 38.487 0.175 0.000 1.202 560 N HN -0.207 nan 8.380 nan 0.000 0.564 561 P HA 0.141 nan 4.420 nan 0.000 0.276 561 P C -0.507 176.843 177.300 0.084 0.000 1.243 561 P CA -0.039 63.111 63.100 0.084 0.000 0.768 561 P CB -0.077 31.670 31.700 0.079 0.000 0.856 562 T N 3.758 118.356 114.554 0.073 0.000 2.720 562 T HA -0.082 4.260 4.350 -0.014 0.000 0.255 562 T C 0.570 175.315 174.700 0.076 0.000 1.021 562 T CA 0.929 63.071 62.100 0.070 0.000 1.145 562 T CB -0.561 68.341 68.868 0.057 0.000 1.036 562 T HN 0.231 nan 8.240 nan 0.000 0.479 563 I N 4.134 124.755 120.570 0.087 0.000 2.382 563 I HA 0.388 4.550 4.170 -0.014 0.000 0.285 563 I C 0.476 176.664 176.117 0.118 0.000 1.007 563 I CA -0.677 60.686 61.300 0.104 0.000 1.142 563 I CB 1.019 39.097 38.000 0.129 0.000 1.289 563 I HN 0.301 nan 8.210 nan 0.000 0.453 564 R N 4.960 125.521 120.500 0.102 0.000 2.732 564 R HA 0.580 4.912 4.340 -0.014 0.000 0.278 564 R C -0.944 175.425 176.300 0.114 0.000 0.976 564 R CA -0.648 55.515 56.100 0.105 0.000 0.963 564 R CB 2.126 32.467 30.300 0.069 0.000 1.150 564 R HN 0.471 nan 8.270 nan 0.000 0.478 565 E N 1.330 121.612 120.200 0.136 0.000 2.432 565 E HA 0.216 4.558 4.350 -0.014 0.000 0.272 565 E C -1.094 175.563 176.600 0.097 0.000 0.937 565 E CA -0.309 56.148 56.400 0.095 0.000 0.812 565 E CB 1.910 31.678 29.700 0.114 0.000 1.377 565 E HN 0.428 nan 8.360 nan 0.000 0.399 566 S N -0.205 115.530 115.700 0.058 0.000 2.610 566 S HA 0.467 4.928 4.470 -0.014 0.000 0.273 566 S C 1.108 175.738 174.600 0.051 0.000 1.274 566 S CA 0.104 58.340 58.200 0.059 0.000 1.023 566 S CB 1.292 64.517 63.200 0.043 0.000 0.962 566 S HN 0.758 nan 8.310 nan 0.000 0.523 567 G N 2.002 110.844 108.800 0.069 0.000 2.361 567 G HA2 -0.260 3.692 3.960 -0.014 0.000 0.294 567 G HA3 -0.260 3.692 3.960 -0.014 0.000 0.294 567 G C 0.018 174.965 174.900 0.080 0.000 1.004 567 G CA 0.050 45.196 45.100 0.075 0.000 0.870 567 G HN 0.547 nan 8.290 nan 0.000 0.510 568 R N -0.813 119.728 120.500 0.067 0.000 2.401 568 R HA 0.274 4.606 4.340 -0.014 0.000 0.299 568 R C -0.093 176.302 176.300 0.158 0.000 1.064 568 R CA -0.468 55.642 56.100 0.017 0.000 1.000 568 R CB 0.401 30.572 30.300 -0.216 0.000 0.973 568 R HN 0.237 nan 8.270 nan 0.000 0.438 569 F N 4.460 124.413 119.950 0.005 0.000 2.410 569 F HA 0.366 4.885 4.527 -0.013 0.000 0.349 569 F C -0.045 175.797 175.800 0.069 0.000 1.117 569 F CA -0.790 57.240 58.000 0.051 0.000 1.104 569 F CB 0.650 39.673 39.000 0.039 0.000 1.122 569 F HN 0.357 nan 8.300 nan 0.000 0.483 570 I N 9.011 129.231 120.570 -0.583 0.000 2.328 570 I HA 0.298 4.460 4.170 -0.014 0.000 0.287 570 I C -2.205 173.427 176.117 -0.810 0.000 1.012 570 I CA -2.076 58.939 61.300 -0.475 0.000 1.195 570 I CB 1.195 39.069 38.000 -0.210 0.000 1.350 570 I HN 0.430 nan 8.210 nan 0.000 0.464 571 P HA 0.159 nan 4.420 nan 0.000 0.276 571 P C -1.449 175.822 177.300 -0.048 0.000 1.252 571 P CA -0.283 62.694 63.100 -0.205 0.000 0.802 571 P CB 0.823 32.675 31.700 0.253 0.000 1.035 572 Y N 0.374 120.656 120.300 -0.030 0.000 2.307 572 Y HA 0.430 4.972 4.550 -0.014 0.000 0.323 572 Y C -1.613 174.352 175.900 0.109 0.000 1.100 572 Y CA -0.580 57.505 58.100 -0.024 0.000 1.140 572 Y CB 1.323 39.752 38.460 -0.051 0.000 1.159 572 Y HN 0.046 nan 8.280 nan 0.000 0.436 573 V N 5.112 124.947 119.914 -0.131 0.000 2.531 573 V HA 0.943 5.055 4.120 -0.014 0.000 0.301 573 V C -0.082 175.939 176.094 -0.122 0.000 1.034 573 V CA -0.289 62.034 62.300 0.037 0.000 0.865 573 V CB 1.541 33.464 31.823 0.166 0.000 0.995 573 V HN 0.932 nan 8.190 nan 0.000 0.424 574 G N 2.570 111.412 108.800 0.071 0.000 2.718 574 G HA2 0.888 4.840 3.960 -0.014 0.000 0.295 574 G HA3 0.888 4.840 3.960 -0.014 0.000 0.295 574 G C -1.359 173.716 174.900 0.292 0.000 1.421 574 G CA -0.149 44.987 45.100 0.060 0.000 0.902 574 G HN 1.192 nan 8.290 nan 0.000 0.501 575 A N -0.097 122.883 122.820 0.266 0.000 2.549 575 A HA 0.810 5.122 4.320 -0.014 0.000 0.297 575 A C -1.520 176.258 177.584 0.324 0.000 1.061 575 A CA -0.584 51.645 52.037 0.319 0.000 0.690 575 A CB 2.112 21.251 19.000 0.232 0.000 1.287 575 A HN 1.450 nan 8.150 nan 0.000 0.402 576 V N 2.114 122.232 119.914 0.340 0.000 2.482 576 V HA 0.376 4.488 4.120 -0.014 0.000 0.295 576 V C -1.506 174.770 176.094 0.304 0.000 1.026 576 V CA -0.369 62.120 62.300 0.315 0.000 0.856 576 V CB 1.386 33.369 31.823 0.266 0.000 1.001 576 V HN 0.818 nan 8.190 nan 0.000 0.424 577 Y N 3.919 124.310 120.300 0.152 0.000 2.342 577 Y HA 0.511 5.052 4.550 -0.014 0.000 0.338 577 Y C 0.130 176.090 175.900 0.100 0.000 0.965 577 Y CA -1.147 57.019 58.100 0.110 0.000 1.159 577 Y CB 1.008 39.522 38.460 0.090 0.000 1.157 577 Y HN 0.651 nan 8.280 nan 0.000 0.486 578 D N 6.701 126.835 120.400 -0.444 0.000 2.308 578 D HA 0.156 4.788 4.640 -0.014 0.000 0.251 578 D C 0.648 176.697 176.300 -0.418 0.000 1.127 578 D CA 0.148 53.960 54.000 -0.313 0.000 0.876 578 D CB 1.876 42.548 40.800 -0.213 0.000 1.176 578 D HN 0.687 nan 8.370 nan 0.000 0.446 579 L N 1.458 122.594 121.223 -0.146 0.000 2.356 579 L HA 0.072 4.404 4.340 -0.014 0.000 0.193 579 L C 1.079 177.936 176.870 -0.023 0.000 1.087 579 L CA 0.392 55.199 54.840 -0.056 0.000 0.817 579 L CB -0.003 42.096 42.059 0.066 0.000 1.035 579 L HN 0.406 nan 8.230 nan 0.000 0.482 580 N N -1.748 116.963 118.700 0.018 0.000 3.283 580 N HA 0.125 4.857 4.740 -0.014 0.000 0.338 580 N C -0.289 175.201 175.510 -0.033 0.000 1.517 580 N CA -0.584 52.470 53.050 0.006 0.000 0.733 580 N CB 0.346 38.864 38.487 0.052 0.000 1.797 580 N HN -0.211 nan 8.380 nan 0.000 0.637 581 D N 0.045 120.421 120.400 -0.039 0.000 2.309 581 D HA -0.049 4.583 4.640 -0.014 0.000 0.212 581 D C 1.036 177.252 176.300 -0.139 0.000 0.968 581 D CA 1.439 55.396 54.000 -0.073 0.000 0.882 581 D CB -0.101 40.666 40.800 -0.054 0.000 0.918 581 D HN 0.499 nan 8.370 nan 0.000 0.503 582 T N -1.024 113.432 114.554 -0.164 0.000 3.004 582 T HA 0.036 4.377 4.350 -0.014 0.000 0.243 582 T C 0.297 174.637 174.700 -0.600 0.000 1.020 582 T CA 0.383 62.213 62.100 -0.450 0.000 1.145 582 T CB 0.258 68.787 68.868 -0.565 0.000 0.876 582 T HN -0.000 nan 8.240 nan 0.000 0.449 583 Y N 1.078 121.309 120.300 -0.116 0.000 2.446 583 Y HA 0.636 5.177 4.550 -0.014 0.000 0.338 583 Y C 0.108 175.984 175.900 -0.040 0.000 1.055 583 Y CA -0.969 57.089 58.100 -0.070 0.000 1.101 583 Y CB 1.770 40.215 38.460 -0.025 0.000 1.221 583 Y HN -0.061 nan 8.280 nan 0.000 0.460 584 S N 1.354 117.149 115.700 0.159 0.000 2.548 584 S HA 0.696 5.158 4.470 -0.014 0.000 0.286 584 S C -0.854 173.883 174.600 0.228 0.000 1.098 584 S CA -0.934 57.350 58.200 0.141 0.000 0.930 584 S CB 1.725 64.983 63.200 0.097 0.000 1.070 584 S HN 0.553 nan 8.310 nan 0.000 0.480 585 V N 0.844 120.898 119.914 0.233 0.000 2.975 585 V HA 0.975 5.087 4.120 -0.014 0.000 0.318 585 V C -1.090 175.187 176.094 0.305 0.000 1.077 585 V CA -0.681 61.755 62.300 0.226 0.000 1.000 585 V CB 1.031 32.937 31.823 0.137 0.000 1.066 585 V HN 1.020 nan 8.190 nan 0.000 0.452 586 Y N 0.297 120.675 120.300 0.130 0.000 2.624 586 Y HA 0.944 5.486 4.550 -0.014 0.000 0.334 586 Y C -0.808 175.146 175.900 0.091 0.000 1.155 586 Y CA -0.698 57.469 58.100 0.112 0.000 1.046 586 Y CB 1.153 39.663 38.460 0.084 0.000 1.316 586 Y HN 1.263 nan 8.280 nan 0.000 0.457 587 A N 1.775 124.721 122.820 0.210 0.000 2.547 587 A HA 0.857 5.169 4.320 -0.014 0.000 0.297 587 A C -1.192 176.481 177.584 0.149 0.000 1.056 587 A CA -0.123 51.976 52.037 0.104 0.000 0.688 587 A CB 1.361 20.402 19.000 0.069 0.000 1.282 587 A HN 1.733 nan 8.150 nan 0.000 0.400 588 S N 0.456 116.212 115.700 0.092 0.000 2.556 588 S HA 0.718 5.180 4.470 -0.014 0.000 0.271 588 S C -1.330 173.240 174.600 -0.049 0.000 1.135 588 S CA -0.593 57.580 58.200 -0.044 0.000 0.858 588 S CB 1.415 64.508 63.200 -0.178 0.000 1.114 588 S HN 1.694 nan 8.310 nan 0.000 0.468 589 Y N 1.936 122.070 120.300 -0.276 0.000 2.326 589 Y HA 0.646 5.188 4.550 -0.013 0.000 0.331 589 Y C -0.499 175.156 175.900 -0.408 0.000 0.962 589 Y CA -0.093 57.793 58.100 -0.356 0.000 1.167 589 Y CB 1.589 39.895 38.460 -0.257 0.000 1.148 589 Y HN 1.099 nan 8.280 nan 0.000 0.463 590 T N 2.098 116.155 114.554 -0.828 0.000 2.906 590 T HA 0.609 4.951 4.350 -0.014 0.000 0.295 590 T C -1.479 172.820 174.700 -0.669 0.000 1.061 590 T CA -0.747 60.955 62.100 -0.664 0.000 1.000 590 T CB 2.350 70.964 68.868 -0.423 0.000 1.103 590 T HN 0.624 nan 8.240 nan 0.000 0.486 591 D N -0.110 120.015 120.400 -0.459 0.000 2.523 591 D HA 0.799 5.431 4.640 -0.014 0.000 0.236 591 D C -1.254 174.907 176.300 -0.232 0.000 1.094 591 D CA -0.711 53.078 54.000 -0.352 0.000 0.942 591 D CB 1.947 42.560 40.800 -0.313 0.000 1.447 591 D HN 0.818 nan 8.370 nan 0.000 0.479 592 I N 1.303 121.773 120.570 -0.167 0.000 2.836 592 I HA 0.444 4.606 4.170 -0.014 0.000 0.298 592 I C -1.788 174.306 176.117 -0.039 0.000 1.600 592 I CA -0.760 60.442 61.300 -0.164 0.000 0.972 592 I CB 1.391 39.233 38.000 -0.265 0.000 1.385 592 I HN 0.543 nan 8.210 nan 0.000 0.520 593 F N 4.588 124.409 119.950 -0.215 0.000 2.662 593 F HA 0.871 5.390 4.527 -0.013 0.000 0.312 593 F C -1.521 174.127 175.800 -0.254 0.000 1.113 593 F CA -1.063 56.811 58.000 -0.211 0.000 0.951 593 F CB 1.627 40.520 39.000 -0.178 0.000 1.344 593 F HN 0.305 nan 8.300 nan 0.000 0.462 594 M N 3.012 122.529 119.600 -0.138 0.000 2.206 594 M HA 0.589 5.061 4.480 -0.014 0.000 0.272 594 M C -3.193 173.039 176.300 -0.115 0.000 1.012 594 M CA -2.943 52.185 55.300 -0.288 0.000 0.986 594 M CB 2.050 34.507 32.600 -0.238 0.000 1.740 594 M HN 0.335 nan 8.290 nan 0.000 0.472 595 P HA 0.227 nan 4.420 nan 0.000 0.271 595 P C -1.145 176.121 177.300 -0.056 0.000 1.216 595 P CA -0.111 62.951 63.100 -0.063 0.000 0.776 595 P CB 0.537 32.203 31.700 -0.057 0.000 0.881 596 Q N 1.615 121.397 119.800 -0.031 0.000 2.382 596 Q HA 0.110 4.442 4.340 -0.014 0.000 0.229 596 Q C -0.037 175.909 176.000 -0.090 0.000 1.006 596 Q CA -0.021 55.760 55.803 -0.035 0.000 0.916 596 Q CB 0.336 29.056 28.738 -0.029 0.000 1.235 596 Q HN 0.409 nan 8.270 nan 0.000 0.512 597 D N 0.155 120.421 120.400 -0.223 0.000 2.423 597 D HA -0.067 4.565 4.640 -0.014 0.000 0.238 597 D C 0.423 176.268 176.300 -0.758 0.000 1.142 597 D CA 0.264 53.812 54.000 -0.753 0.000 0.884 597 D CB 1.198 40.896 40.800 -1.838 0.000 1.199 597 D HN 0.526 nan 8.370 nan 0.000 0.438 598 S N 1.231 116.649 115.700 -0.470 0.000 2.537 598 S HA -0.133 4.329 4.470 -0.014 0.000 0.240 598 S C 1.114 175.723 174.600 0.015 0.000 0.981 598 S CA 0.627 58.785 58.200 -0.070 0.000 0.948 598 S CB -0.178 63.120 63.200 0.164 0.000 0.759 598 S HN 0.607 nan 8.310 nan 0.000 0.531 599 W N -1.284 119.990 121.300 -0.043 0.000 3.127 599 W HA 0.479 5.132 4.660 -0.012 0.000 0.344 599 W C -0.553 175.979 176.519 0.021 0.000 1.151 599 W CA -0.793 56.547 57.345 -0.009 0.000 1.765 599 W CB -0.597 28.846 29.460 -0.027 0.000 1.085 599 W HN 0.023 nan 8.180 nan 0.000 0.596 600 Y N 4.097 124.204 120.300 -0.321 0.000 2.724 600 Y HA 0.309 4.852 4.550 -0.013 0.000 0.354 600 Y C 0.802 176.694 175.900 -0.013 0.000 1.270 600 Y CA -1.079 56.840 58.100 -0.301 0.000 1.902 600 Y CB -0.852 37.297 38.460 -0.518 0.000 1.981 600 Y HN 0.014 nan 8.280 nan 0.000 0.428 601 R N 0.040 120.737 120.500 0.329 0.000 2.700 601 R HA 0.504 4.836 4.340 -0.014 0.000 0.253 601 R C -0.539 175.882 176.300 0.200 0.000 1.091 601 R CA -1.034 55.197 56.100 0.217 0.000 1.104 601 R CB 0.829 31.232 30.300 0.172 0.000 1.202 601 R HN 0.247 nan 8.270 nan 0.000 0.532 602 D N -1.022 119.421 120.400 0.072 0.000 2.506 602 D HA 0.181 4.813 4.640 -0.014 0.000 0.254 602 D C 0.486 176.685 176.300 -0.167 0.000 1.089 602 D CA -0.885 53.102 54.000 -0.021 0.000 1.050 602 D CB 0.749 41.536 40.800 -0.021 0.000 1.221 602 D HN 0.268 nan 8.370 nan 0.000 0.589 603 S N -0.652 114.850 115.700 -0.329 0.000 2.509 603 S HA -0.270 4.192 4.470 -0.014 0.000 0.285 603 S C 1.647 176.064 174.600 -0.305 0.000 1.185 603 S CA 2.253 60.147 58.200 -0.510 0.000 1.152 603 S CB -0.600 62.430 63.200 -0.284 0.000 1.088 603 S HN 0.561 nan 8.310 nan 0.000 0.446 604 S N 0.296 115.909 115.700 -0.145 0.000 2.575 604 S HA 0.199 4.661 4.470 -0.014 0.000 0.215 604 S C 0.566 175.149 174.600 -0.028 0.000 0.966 604 S CA 0.176 58.336 58.200 -0.067 0.000 0.911 604 S CB -0.076 63.102 63.200 -0.036 0.000 0.780 604 S HN 0.612 nan 8.310 nan 0.000 0.514 605 N N 1.456 120.140 118.700 -0.026 0.000 2.815 605 N HA -0.154 4.577 4.740 -0.014 0.000 0.248 605 N C -0.930 174.603 175.510 0.039 0.000 1.110 605 N CA 0.678 53.745 53.050 0.028 0.000 0.699 605 N CB -1.247 37.266 38.487 0.043 0.000 1.040 605 N HN 0.366 nan 8.380 nan 0.000 0.555 606 K N 0.275 120.693 120.400 0.029 0.000 2.270 606 K HA 0.457 4.769 4.320 -0.014 0.000 0.255 606 K C -0.261 176.368 176.600 0.049 0.000 0.936 606 K CA -0.934 55.374 56.287 0.035 0.000 0.809 606 K CB 1.537 34.048 32.500 0.018 0.000 1.131 606 K HN 0.173 nan 8.250 nan 0.000 0.427 607 L N 3.897 125.151 121.223 0.051 0.000 2.485 607 L HA 0.101 4.433 4.340 -0.014 0.000 0.275 607 L C -0.613 176.277 176.870 0.033 0.000 1.207 607 L CA 0.300 55.171 54.840 0.052 0.000 0.855 607 L CB 0.286 42.371 42.059 0.044 0.000 1.114 607 L HN 0.515 nan 8.230 nan 0.000 0.485 608 L N 3.850 125.089 121.223 0.027 0.000 2.456 608 L HA 0.108 4.440 4.340 -0.014 0.000 0.272 608 L C 0.718 177.578 176.870 -0.017 0.000 1.189 608 L CA -0.307 54.532 54.840 -0.002 0.000 0.846 608 L CB 0.499 42.538 42.059 -0.032 0.000 1.111 608 L HN 0.676 nan 8.230 nan 0.000 0.475 609 E N 3.744 123.931 120.200 -0.022 0.000 2.537 609 E HA -0.061 4.281 4.350 -0.014 0.000 0.269 609 E C -2.260 174.312 176.600 -0.045 0.000 1.038 609 E CA -0.579 55.800 56.400 -0.035 0.000 0.977 609 E CB 0.338 30.015 29.700 -0.038 0.000 0.973 609 E HN 0.225 nan 8.360 nan 0.000 0.456 610 P HA -0.013 nan 4.420 nan 0.000 0.271 610 P C -0.872 176.414 177.300 -0.023 0.000 1.216 610 P CA -0.048 63.040 63.100 -0.020 0.000 0.776 610 P CB 0.468 32.189 31.700 0.034 0.000 0.881 611 D N 2.819 123.194 120.400 -0.042 0.000 2.356 611 D HA -0.007 4.625 4.640 -0.014 0.000 0.272 611 D C -0.145 176.140 176.300 -0.025 0.000 1.337 611 D CA 0.637 54.602 54.000 -0.058 0.000 0.970 611 D CB 0.029 40.770 40.800 -0.099 0.000 1.092 611 D HN 0.280 nan 8.370 nan 0.000 0.516 612 E N 0.858 121.049 120.200 -0.014 0.000 2.232 612 E HA 0.787 5.129 4.350 -0.014 0.000 0.264 612 E C -0.102 176.463 176.600 -0.057 0.000 0.973 612 E CA -0.992 55.408 56.400 -0.001 0.000 0.849 612 E CB 1.771 31.474 29.700 0.006 0.000 1.198 612 E HN 0.463 nan 8.360 nan 0.000 0.407 613 G N 0.709 109.454 108.800 -0.093 0.000 2.698 613 G HA2 0.462 4.414 3.960 -0.014 0.000 0.293 613 G HA3 0.462 4.414 3.960 -0.014 0.000 0.293 613 G C -1.701 173.116 174.900 -0.138 0.000 1.437 613 G CA -0.625 44.413 45.100 -0.103 0.000 0.852 613 G HN 0.263 nan 8.290 nan 0.000 0.499 614 Q N -0.142 119.597 119.800 -0.102 0.000 2.337 614 Q HA 0.438 4.770 4.340 -0.014 0.000 0.270 614 Q C -0.484 175.349 176.000 -0.278 0.000 1.043 614 Q CA -0.695 54.938 55.803 -0.284 0.000 0.794 614 Q CB 2.361 30.930 28.738 -0.282 0.000 1.281 614 Q HN 0.640 nan 8.270 nan 0.000 0.446 615 N N 1.176 119.646 118.700 -0.383 0.000 2.426 615 N HA 0.381 5.112 4.740 -0.014 0.000 0.275 615 N C -1.565 173.734 175.510 -0.351 0.000 1.019 615 N CA -0.245 52.660 53.050 -0.242 0.000 0.941 615 N CB 0.600 38.967 38.487 -0.200 0.000 1.123 615 N HN 0.417 nan 8.380 nan 0.000 0.486 616 Y N 1.457 121.754 120.300 -0.006 0.000 2.335 616 Y HA 0.355 4.897 4.550 -0.014 0.000 0.338 616 Y C -0.094 175.839 175.900 0.055 0.000 0.977 616 Y CA -0.707 57.412 58.100 0.032 0.000 1.114 616 Y CB 1.602 40.067 38.460 0.008 0.000 1.182 616 Y HN 0.496 nan 8.280 nan 0.000 0.463 617 E N 3.968 124.280 120.200 0.186 0.000 2.290 617 E HA 0.551 4.892 4.350 -0.014 0.000 0.274 617 E C -1.912 174.734 176.600 0.077 0.000 0.889 617 E CA -0.547 55.947 56.400 0.156 0.000 0.760 617 E CB 1.791 31.592 29.700 0.167 0.000 1.206 617 E HN 0.696 nan 8.360 nan 0.000 0.419 618 I N 3.387 123.978 120.570 0.035 0.000 2.608 618 I HA 0.813 4.975 4.170 -0.014 0.000 0.295 618 I C -0.479 175.454 176.117 -0.307 0.000 1.049 618 I CA -0.421 60.795 61.300 -0.141 0.000 1.063 618 I CB 1.766 39.758 38.000 -0.013 0.000 1.248 618 I HN 0.703 nan 8.210 nan 0.000 0.424 619 G N 6.680 115.050 108.800 -0.716 0.000 2.623 619 G HA2 0.508 4.459 3.960 -0.014 0.000 0.290 619 G HA3 0.508 4.459 3.960 -0.014 0.000 0.290 619 G C -2.235 172.478 174.900 -0.312 0.000 1.437 619 G CA -0.488 44.250 45.100 -0.604 0.000 0.798 619 G HN 0.602 nan 8.290 nan 0.000 0.488 620 I N -0.274 120.334 120.570 0.063 0.000 2.545 620 I HA 0.702 4.864 4.170 -0.014 0.000 0.292 620 I C -1.178 175.137 176.117 0.330 0.000 1.040 620 I CA -0.995 60.431 61.300 0.210 0.000 1.068 620 I CB 2.020 40.099 38.000 0.131 0.000 1.251 620 I HN 0.411 nan 8.210 nan 0.000 0.424 621 K N 4.719 125.320 120.400 0.335 0.000 2.468 621 K HA 0.677 4.989 4.320 -0.014 0.000 0.252 621 K C -0.873 175.806 176.600 0.130 0.000 0.932 621 K CA -0.713 55.714 56.287 0.233 0.000 0.794 621 K CB 2.313 34.905 32.500 0.153 0.000 1.241 621 K HN 0.757 nan 8.250 nan 0.000 0.428 622 G N 1.300 110.097 108.800 -0.004 0.000 2.571 622 G HA2 0.426 4.378 3.960 -0.014 0.000 0.304 622 G HA3 0.426 4.378 3.960 -0.014 0.000 0.304 622 G C -1.574 172.985 174.900 -0.568 0.000 1.314 622 G CA -0.312 44.491 45.100 -0.495 0.000 0.975 622 G HN 0.538 nan 8.290 nan 0.000 0.485 623 E N 0.500 120.198 120.200 -0.837 0.000 2.224 623 E HA 0.598 4.940 4.350 -0.014 0.000 0.265 623 E C -1.393 174.781 176.600 -0.710 0.000 0.878 623 E CA -0.669 55.408 56.400 -0.538 0.000 0.759 623 E CB 1.529 31.056 29.700 -0.288 0.000 1.164 623 E HN 0.462 nan 8.360 nan 0.000 0.414 624 Y N 2.296 122.533 120.300 -0.105 0.000 2.602 624 Y HA 0.384 4.925 4.550 -0.014 0.000 0.342 624 Y C 0.270 176.140 175.900 -0.049 0.000 1.029 624 Y CA -1.369 56.681 58.100 -0.084 0.000 1.080 624 Y CB 1.092 39.505 38.460 -0.077 0.000 1.284 624 Y HN 0.483 nan 8.280 nan 0.000 0.485 625 L N 1.699 123.003 121.223 0.136 0.000 3.739 625 L HA -0.308 4.024 4.340 -0.014 0.000 0.442 625 L C -0.215 176.684 176.870 0.048 0.000 1.241 625 L CA 1.076 55.962 54.840 0.077 0.000 0.819 625 L CB -1.334 40.768 42.059 0.072 0.000 1.679 625 L HN 0.875 nan 8.230 nan 0.000 0.889 626 D N 0.355 120.769 120.400 0.024 0.000 2.772 626 D HA -0.171 4.461 4.640 -0.014 0.000 0.233 626 D C 1.264 177.571 176.300 0.012 0.000 1.143 626 D CA 2.119 56.126 54.000 0.012 0.000 0.700 626 D CB -0.971 39.845 40.800 0.027 0.000 1.076 626 D HN 1.034 nan 8.370 nan 0.000 0.430 627 G N -0.414 108.389 108.800 0.006 0.000 2.179 627 G HA2 -0.433 3.519 3.960 -0.014 0.000 0.260 627 G HA3 -0.433 3.519 3.960 -0.014 0.000 0.260 627 G C 1.115 176.035 174.900 0.034 0.000 0.977 627 G CA 0.728 45.834 45.100 0.010 0.000 0.641 627 G HN 0.554 nan 8.290 nan 0.000 0.533 628 R N -1.081 119.446 120.500 0.045 0.000 2.280 628 R HA 0.380 4.712 4.340 -0.014 0.000 0.207 628 R C 0.662 176.991 176.300 0.050 0.000 1.043 628 R CA 1.045 57.172 56.100 0.045 0.000 1.006 628 R CB 0.064 30.388 30.300 0.041 0.000 0.885 628 R HN 0.474 nan 8.270 nan 0.000 0.467 629 L N 0.147 121.423 121.223 0.087 0.000 2.470 629 L HA 0.388 4.720 4.340 -0.014 0.000 0.268 629 L C -1.800 175.199 176.870 0.215 0.000 0.964 629 L CA -0.558 54.351 54.840 0.114 0.000 0.839 629 L CB 2.156 44.252 42.059 0.061 0.000 1.276 629 L HN -0.125 nan 8.230 nan 0.000 0.403 630 N N 1.535 120.328 118.700 0.155 0.000 2.284 630 N HA 0.848 5.580 4.740 -0.014 0.000 0.300 630 N C -1.340 174.279 175.510 0.181 0.000 1.047 630 N CA -0.533 52.600 53.050 0.139 0.000 0.821 630 N CB 2.202 40.727 38.487 0.063 0.000 1.337 630 N HN 0.692 nan 8.380 nan 0.000 0.482 631 T N -1.868 112.820 114.554 0.223 0.000 2.900 631 T HA 0.830 5.172 4.350 -0.014 0.000 0.295 631 T C -0.826 173.993 174.700 0.198 0.000 1.044 631 T CA -0.859 61.378 62.100 0.228 0.000 0.995 631 T CB 1.295 70.366 68.868 0.339 0.000 1.072 631 T HN 0.423 nan 8.240 nan 0.000 0.473 632 S N 1.790 117.605 115.700 0.191 0.000 2.541 632 S HA 0.751 5.213 4.470 -0.014 0.000 0.271 632 S C -1.491 173.239 174.600 0.218 0.000 1.133 632 S CA -0.994 57.334 58.200 0.214 0.000 0.876 632 S CB 1.759 65.074 63.200 0.192 0.000 1.105 632 S HN 1.125 nan 8.310 nan 0.000 0.470 633 L N 1.909 123.270 121.223 0.230 0.000 2.409 633 L HA 0.945 5.277 4.340 -0.014 0.000 0.272 633 L C -0.603 176.404 176.870 0.229 0.000 0.980 633 L CA -0.425 54.543 54.840 0.214 0.000 0.826 633 L CB 1.265 43.411 42.059 0.146 0.000 1.268 633 L HN 1.204 nan 8.230 nan 0.000 0.407 634 A N 4.084 127.075 122.820 0.285 0.000 2.413 634 A HA 0.733 5.044 4.320 -0.014 0.000 0.307 634 A C -2.086 175.714 177.584 0.359 0.000 1.087 634 A CA -0.490 51.724 52.037 0.295 0.000 0.750 634 A CB 1.210 20.431 19.000 0.368 0.000 1.296 634 A HN 0.766 nan 8.150 nan 0.000 0.423 635 Y N 1.747 122.141 120.300 0.158 0.000 2.376 635 Y HA 0.677 5.219 4.550 -0.013 0.000 0.340 635 Y C -1.191 174.791 175.900 0.137 0.000 0.965 635 Y CA -1.526 56.625 58.100 0.085 0.000 1.078 635 Y CB 1.300 39.767 38.460 0.011 0.000 1.193 635 Y HN 0.761 nan 8.280 nan 0.000 0.452 636 F N 2.194 121.748 119.950 -0.660 0.000 2.613 636 F HA 0.796 5.315 4.527 -0.013 0.000 0.314 636 F C -1.469 174.020 175.800 -0.518 0.000 1.075 636 F CA -1.311 56.438 58.000 -0.417 0.000 0.945 636 F CB 1.937 40.842 39.000 -0.157 0.000 1.310 636 F HN 0.449 nan 8.300 nan 0.000 0.467 637 E N 1.729 121.969 120.200 0.067 0.000 2.278 637 E HA 0.606 4.948 4.350 -0.014 0.000 0.272 637 E C -1.891 174.917 176.600 0.346 0.000 0.890 637 E CA -0.599 55.897 56.400 0.161 0.000 0.770 637 E CB 2.151 31.956 29.700 0.175 0.000 1.212 637 E HN 0.753 nan 8.360 nan 0.000 0.415 638 I N 3.986 124.782 120.570 0.377 0.000 2.378 638 I HA 0.267 4.429 4.170 -0.014 0.000 0.291 638 I C -0.462 175.940 176.117 0.475 0.000 0.992 638 I CA -0.521 60.985 61.300 0.345 0.000 1.154 638 I CB 1.210 39.383 38.000 0.289 0.000 1.315 638 I HN 0.492 nan 8.210 nan 0.000 0.448 639 H N 5.852 125.044 119.070 0.203 0.000 2.581 639 H HA 0.266 4.814 4.556 -0.014 0.000 0.308 639 H C -0.648 174.747 175.328 0.112 0.000 1.040 639 H CA -0.586 55.569 56.048 0.180 0.000 1.231 639 H CB 1.473 31.381 29.762 0.242 0.000 1.396 639 H HN 0.539 nan 8.280 nan 0.000 0.467 640 E N 4.361 124.684 120.200 0.205 0.000 2.175 640 E HA 0.078 4.420 4.350 -0.014 0.000 0.278 640 E C -0.606 176.046 176.600 0.087 0.000 0.969 640 E CA -0.841 55.633 56.400 0.125 0.000 0.796 640 E CB 0.917 30.730 29.700 0.188 0.000 1.104 640 E HN 0.638 nan 8.360 nan 0.000 0.395 641 E N 4.097 124.329 120.200 0.053 0.000 2.299 641 E HA 0.245 4.587 4.350 -0.014 0.000 0.265 641 E C -0.536 176.065 176.600 0.001 0.000 0.911 641 E CA -0.957 55.463 56.400 0.032 0.000 0.789 641 E CB 0.801 30.526 29.700 0.040 0.000 1.246 641 E HN 0.643 nan 8.360 nan 0.000 0.427 642 N N 0.882 119.576 118.700 -0.010 0.000 2.725 642 N HA -0.229 4.503 4.740 -0.014 0.000 0.251 642 N C -0.373 175.100 175.510 -0.061 0.000 1.031 642 N CA 0.873 53.902 53.050 -0.035 0.000 0.720 642 N CB -1.060 37.400 38.487 -0.045 0.000 0.930 642 N HN 0.637 nan 8.380 nan 0.000 0.543 643 R N 0.483 120.960 120.500 -0.038 0.000 2.267 643 R HA 0.446 4.778 4.340 -0.014 0.000 0.319 643 R C 0.319 176.556 176.300 -0.105 0.000 1.067 643 R CA -0.107 55.958 56.100 -0.058 0.000 0.936 643 R CB 0.578 30.887 30.300 0.016 0.000 1.006 643 R HN 0.186 nan 8.270 nan 0.000 0.452 644 A N 4.517 127.183 122.820 -0.257 0.000 2.563 644 A HA -0.065 4.247 4.320 -0.014 0.000 0.256 644 A C -0.056 177.488 177.584 -0.066 0.000 1.056 644 A CA 0.579 52.415 52.037 -0.335 0.000 0.775 644 A CB -0.059 18.322 19.000 -1.031 0.000 0.973 644 A HN 0.883 nan 8.150 nan 0.000 0.516 645 E N 2.573 122.829 120.200 0.093 0.000 2.191 645 E HA 0.176 4.518 4.350 -0.014 0.000 0.263 645 E C 0.703 177.459 176.600 0.259 0.000 0.881 645 E CA -0.559 55.945 56.400 0.173 0.000 0.757 645 E CB 0.719 30.465 29.700 0.076 0.000 1.147 645 E HN 0.857 nan 8.360 nan 0.000 0.414 646 E N 2.821 123.192 120.200 0.286 0.000 2.786 646 E HA -0.393 3.949 4.350 -0.014 0.000 0.237 646 E C -0.382 176.031 176.600 -0.311 0.000 0.950 646 E CA 2.594 58.929 56.400 -0.109 0.000 1.380 646 E CB -0.121 29.576 29.700 -0.005 0.000 1.351 646 E HN 0.854 nan 8.360 nan 0.000 0.484 647 D N -2.440 117.876 120.400 -0.139 0.000 3.653 647 D HA -0.102 4.529 4.640 -0.014 0.000 0.247 647 D C 0.107 176.336 176.300 -0.118 0.000 1.025 647 D CA 0.865 54.794 54.000 -0.118 0.000 1.053 647 D CB -1.125 39.603 40.800 -0.121 0.000 0.932 647 D HN 0.358 nan 8.370 nan 0.000 0.414 648 A N 2.311 125.092 122.820 -0.064 0.000 1.897 648 A HA -0.009 4.303 4.320 -0.014 0.000 0.215 648 A C 2.545 180.114 177.584 -0.026 0.000 1.181 648 A CA 1.162 53.171 52.037 -0.047 0.000 0.620 648 A CB -0.279 18.712 19.000 -0.015 0.000 0.821 648 A HN 0.516 nan 8.150 nan 0.000 0.443 649 L N -1.923 119.300 121.223 -0.001 0.000 2.012 649 L HA -0.221 4.111 4.340 -0.014 0.000 0.210 649 L C 2.592 179.476 176.870 0.024 0.000 1.073 649 L CA 2.050 56.897 54.840 0.012 0.000 0.748 649 L CB -0.614 41.459 42.059 0.023 0.000 0.891 649 L HN 0.611 nan 8.230 nan 0.000 0.431 650 Y N 1.412 121.673 120.300 -0.065 0.000 2.049 650 Y HA -0.291 4.250 4.550 -0.014 0.000 0.277 650 Y C 2.508 178.364 175.900 -0.073 0.000 1.143 650 Y CA 1.942 60.003 58.100 -0.065 0.000 1.115 650 Y CB -0.381 38.033 38.460 -0.077 0.000 0.975 650 Y HN 0.223 nan 8.280 nan 0.000 0.487 651 N N 0.124 118.777 118.700 -0.079 0.000 2.348 651 N HA -0.171 4.561 4.740 -0.014 0.000 0.185 651 N C 1.913 177.342 175.510 -0.135 0.000 1.019 651 N CA 1.358 54.311 53.050 -0.162 0.000 0.880 651 N CB -0.754 37.604 38.487 -0.215 0.000 0.965 651 N HN 0.535 nan 8.380 nan 0.000 0.437 652 S N -0.184 115.449 115.700 -0.111 0.000 2.547 652 S HA -0.056 4.406 4.470 -0.014 0.000 0.235 652 S C 0.656 175.188 174.600 -0.114 0.000 0.980 652 S CA 0.551 58.703 58.200 -0.080 0.000 0.941 652 S CB -0.057 63.114 63.200 -0.049 0.000 0.763 652 S HN 0.283 nan 8.310 nan 0.000 0.532 653 K N 0.544 120.822 120.400 -0.203 0.000 2.429 653 K HA 0.332 4.644 4.320 -0.014 0.000 0.286 653 K C -3.450 172.923 176.600 -0.378 0.000 1.592 653 K CA -0.737 55.424 56.287 -0.210 0.000 0.894 653 K CB -0.018 32.406 32.500 -0.126 0.000 1.417 653 K HN 0.005 nan 8.250 nan 0.000 0.457 654 P HA 0.144 nan 4.420 nan 0.000 0.269 654 P C -0.293 176.811 177.300 -0.327 0.000 1.217 654 P CA -0.178 62.451 63.100 -0.785 0.000 0.783 654 P CB 0.829 32.302 31.700 -0.378 0.000 0.898 655 T N -0.256 114.237 114.554 -0.101 0.000 3.403 655 T HA 0.165 4.507 4.350 -0.014 0.000 0.308 655 T C -0.399 174.417 174.700 0.193 0.000 0.952 655 T CA 0.071 62.229 62.100 0.097 0.000 0.970 655 T CB -0.532 68.427 68.868 0.152 0.000 1.189 655 T HN 0.416 nan 8.240 nan 0.000 0.528 656 N N 1.505 120.348 118.700 0.238 0.000 2.812 656 N HA 0.263 4.994 4.740 -0.014 0.000 0.262 656 N C -2.883 172.729 175.510 0.170 0.000 1.241 656 N CA -1.407 51.757 53.050 0.191 0.000 0.854 656 N CB 2.115 40.715 38.487 0.189 0.000 1.506 656 N HN -0.214 nan 8.380 nan 0.000 0.576 657 P HA -0.011 nan 4.420 nan 0.000 0.226 657 P C 0.885 178.246 177.300 0.102 0.000 1.146 657 P CA 0.912 64.068 63.100 0.093 0.000 0.773 657 P CB 0.373 32.112 31.700 0.065 0.000 0.772 658 A N -0.640 122.244 122.820 0.107 0.000 1.929 658 A HA -0.013 4.299 4.320 -0.014 0.000 0.216 658 A C 0.941 178.606 177.584 0.135 0.000 1.176 658 A CA 1.061 53.162 52.037 0.107 0.000 0.628 658 A CB -0.853 18.201 19.000 0.090 0.000 0.816 658 A HN 0.199 nan 8.150 nan 0.000 0.444 659 I N -2.720 117.945 120.570 0.159 0.000 2.411 659 I HA 0.421 4.583 4.170 -0.014 0.000 0.284 659 I C 0.509 176.802 176.117 0.293 0.000 1.012 659 I CA -0.043 61.380 61.300 0.204 0.000 1.119 659 I CB 1.499 39.592 38.000 0.155 0.000 1.261 659 I HN -0.144 nan 8.210 nan 0.000 0.448 660 T N 3.406 118.116 114.554 0.261 0.000 3.044 660 T HA 0.163 4.504 4.350 -0.014 0.000 0.250 660 T C -0.624 174.260 174.700 0.306 0.000 1.081 660 T CA 0.911 63.147 62.100 0.227 0.000 1.040 660 T CB -0.061 68.894 68.868 0.144 0.000 0.962 660 T HN 0.504 nan 8.240 nan 0.000 0.506 661 Y N 1.668 122.062 120.300 0.156 0.000 2.484 661 Y HA 0.615 5.157 4.550 -0.013 0.000 0.348 661 Y C -0.300 175.615 175.900 0.025 0.000 1.103 661 Y CA -1.479 56.661 58.100 0.068 0.000 1.317 661 Y CB 0.121 38.596 38.460 0.026 0.000 1.096 661 Y HN 0.095 nan 8.280 nan 0.000 0.568 662 A N 3.223 125.987 122.820 -0.094 0.000 2.271 662 A HA 0.688 5.000 4.320 -0.014 0.000 0.288 662 A C -1.418 175.969 177.584 -0.328 0.000 1.094 662 A CA -0.023 51.959 52.037 -0.092 0.000 0.828 662 A CB 0.518 19.370 19.000 -0.246 0.000 1.091 662 A HN 0.672 nan 8.150 nan 0.000 0.493 663 Y N -0.448 119.854 120.300 0.004 0.000 2.730 663 Y HA 0.690 5.231 4.550 -0.014 0.000 0.325 663 Y C 0.260 176.141 175.900 -0.032 0.000 1.132 663 Y CA -0.636 57.466 58.100 0.003 0.000 1.206 663 Y CB 1.597 40.117 38.460 0.100 0.000 1.390 663 Y HN 0.631 nan 8.280 nan 0.000 0.555 664 K N -0.372 120.130 120.400 0.169 0.000 2.513 664 K HA 0.574 4.886 4.320 -0.014 0.000 0.251 664 K C -0.905 175.723 176.600 0.048 0.000 0.939 664 K CA -0.577 55.748 56.287 0.063 0.000 0.793 664 K CB 1.640 34.158 32.500 0.030 0.000 1.241 664 K HN 0.862 nan 8.250 nan 0.000 0.431 665 G N 4.930 113.738 108.800 0.013 0.000 2.350 665 G HA2 0.442 4.393 3.960 -0.014 0.000 0.306 665 G HA3 0.442 4.393 3.960 -0.014 0.000 0.306 665 G C 0.072 174.967 174.900 -0.009 0.000 1.094 665 G CA -0.458 44.632 45.100 -0.016 0.000 0.953 665 G HN 0.631 nan 8.290 nan 0.000 0.420 666 I N -0.718 119.847 120.570 -0.008 0.000 3.944 666 I HA 0.807 4.968 4.170 -0.014 0.000 0.259 666 I C -0.210 175.910 176.117 0.005 0.000 1.337 666 I CA -1.466 59.834 61.300 0.000 0.000 1.104 666 I CB 1.589 39.592 38.000 0.005 0.000 1.465 666 I HN 0.110 nan 8.210 nan 0.000 0.564 667 K N 0.419 120.824 120.400 0.008 0.000 2.435 667 K HA 0.839 5.151 4.320 -0.014 0.000 0.251 667 K C -1.453 175.155 176.600 0.014 0.000 0.954 667 K CA -0.933 55.362 56.287 0.014 0.000 0.820 667 K CB 2.355 34.855 32.500 0.000 0.000 1.292 667 K HN 0.850 nan 8.250 nan 0.000 0.436 668 A N 1.706 124.546 122.820 0.032 0.000 2.606 668 A HA 0.653 4.965 4.320 -0.014 0.000 0.293 668 A C -1.734 175.877 177.584 0.045 0.000 1.082 668 A CA -0.701 51.355 52.037 0.033 0.000 0.685 668 A CB 1.811 20.845 19.000 0.058 0.000 1.284 668 A HN 0.610 nan 8.150 nan 0.000 0.408 669 K N 0.418 120.829 120.400 0.019 0.000 2.471 669 K HA 0.619 4.931 4.320 -0.014 0.000 0.252 669 K C -1.240 175.397 176.600 0.061 0.000 0.938 669 K CA -0.173 56.134 56.287 0.033 0.000 0.796 669 K CB 2.039 34.504 32.500 -0.058 0.000 1.161 669 K HN 0.666 nan 8.250 nan 0.000 0.425 670 T N 3.716 118.360 114.554 0.151 0.000 2.767 670 T HA 0.355 4.697 4.350 -0.014 0.000 0.284 670 T C -0.900 173.863 174.700 0.104 0.000 0.973 670 T CA -0.487 61.684 62.100 0.120 0.000 0.996 670 T CB 0.714 69.712 68.868 0.217 0.000 0.927 670 T HN 0.377 nan 8.240 nan 0.000 0.456 671 K N 1.825 122.226 120.400 0.002 0.000 2.270 671 K HA 0.764 5.076 4.320 -0.014 0.000 0.255 671 K C -0.023 176.419 176.600 -0.263 0.000 0.936 671 K CA -0.844 55.386 56.287 -0.094 0.000 0.809 671 K CB 2.212 34.747 32.500 0.058 0.000 1.131 671 K HN 0.788 nan 8.250 nan 0.000 0.427 672 G N 1.394 109.776 108.800 -0.696 0.000 2.451 672 G HA2 0.423 4.375 3.960 -0.014 0.000 0.292 672 G HA3 0.423 4.375 3.960 -0.014 0.000 0.292 672 G C -2.238 171.968 174.900 -1.157 0.000 1.427 672 G CA -0.810 43.793 45.100 -0.829 0.000 0.792 672 G HN 0.523 nan 8.290 nan 0.000 0.498 673 Y N -1.480 118.602 120.300 -0.363 0.000 2.562 673 Y HA 0.885 5.427 4.550 -0.013 0.000 0.345 673 Y C -0.804 175.281 175.900 0.308 0.000 1.045 673 Y CA -1.450 56.645 58.100 -0.008 0.000 1.028 673 Y CB 2.177 40.755 38.460 0.197 0.000 1.297 673 Y HN 0.718 nan 8.280 nan 0.000 0.463 674 E N 1.561 122.094 120.200 0.556 0.000 2.308 674 E HA 0.796 5.138 4.350 -0.014 0.000 0.275 674 E C -1.848 174.981 176.600 0.383 0.000 0.890 674 E CA -1.120 55.541 56.400 0.434 0.000 0.754 674 E CB 2.023 31.935 29.700 0.355 0.000 1.207 674 E HN 1.056 nan 8.360 nan 0.000 0.426 675 A N 4.095 127.127 122.820 0.353 0.000 2.356 675 A HA 0.679 4.991 4.320 -0.014 0.000 0.310 675 A C -1.126 176.584 177.584 0.211 0.000 1.075 675 A CA -0.620 51.576 52.037 0.266 0.000 0.746 675 A CB 1.092 20.238 19.000 0.245 0.000 1.221 675 A HN 0.658 nan 8.150 nan 0.000 0.443 676 E N 1.616 121.915 120.200 0.166 0.000 2.413 676 E HA 0.759 5.101 4.350 -0.014 0.000 0.277 676 E C -1.437 175.227 176.600 0.107 0.000 0.958 676 E CA -0.713 55.761 56.400 0.124 0.000 0.779 676 E CB 2.281 32.041 29.700 0.099 0.000 1.278 676 E HN 0.594 nan 8.360 nan 0.000 0.456 677 I N 0.835 121.453 120.570 0.080 0.000 2.827 677 I HA 0.527 4.689 4.170 -0.014 0.000 0.298 677 I C -1.856 174.292 176.117 0.051 0.000 1.235 677 I CA -0.341 60.996 61.300 0.061 0.000 1.021 677 I CB 2.089 40.102 38.000 0.021 0.000 1.259 677 I HN 0.866 nan 8.210 nan 0.000 0.427 678 S N 4.429 120.159 115.700 0.050 0.000 2.542 678 S HA 0.967 5.428 4.470 -0.014 0.000 0.276 678 S C -0.500 174.128 174.600 0.047 0.000 1.148 678 S CA -0.020 58.220 58.200 0.068 0.000 0.886 678 S CB 1.520 64.780 63.200 0.099 0.000 1.109 678 S HN 1.761 nan 8.310 nan 0.000 0.458 679 G N 1.221 110.042 108.800 0.035 0.000 2.306 679 G HA2 0.118 4.070 3.960 -0.014 0.000 0.262 679 G HA3 0.118 4.070 3.960 -0.014 0.000 0.262 679 G C -1.235 173.612 174.900 -0.089 0.000 1.263 679 G CA -0.428 44.668 45.100 -0.007 0.000 1.088 679 G HN 1.037 nan 8.290 nan 0.000 0.489 680 E N 0.307 120.464 120.200 -0.071 0.000 2.180 680 E HA 0.463 4.805 4.350 -0.014 0.000 0.283 680 E C 1.180 177.699 176.600 -0.134 0.000 1.061 680 E CA -0.429 55.922 56.400 -0.082 0.000 0.861 680 E CB 0.471 30.158 29.700 -0.022 0.000 1.056 680 E HN 0.406 nan 8.360 nan 0.000 0.407 681 L N 3.308 124.393 121.223 -0.231 0.000 2.249 681 L HA 0.263 4.594 4.340 -0.014 0.000 0.207 681 L C 0.764 177.595 176.870 -0.065 0.000 1.090 681 L CA 0.442 55.095 54.840 -0.312 0.000 0.802 681 L CB 0.101 41.670 42.059 -0.816 0.000 0.947 681 L HN 0.514 nan 8.230 nan 0.000 0.453 682 A N -1.880 121.010 122.820 0.116 0.000 2.599 682 A HA 0.509 4.821 4.320 -0.014 0.000 0.290 682 A C -2.300 175.404 177.584 0.200 0.000 1.101 682 A CA -0.866 51.294 52.037 0.204 0.000 0.674 682 A CB 0.393 19.598 19.000 0.341 0.000 1.277 682 A HN -0.228 nan 8.150 nan 0.000 0.419 683 P HA -0.155 nan 4.420 nan 0.000 0.216 683 P C 1.356 178.705 177.300 0.081 0.000 1.167 683 P CA 2.548 65.704 63.100 0.094 0.000 0.914 683 P CB 0.163 31.904 31.700 0.068 0.000 0.793 684 G N -3.566 105.289 108.800 0.091 0.000 3.181 684 G HA2 -0.022 3.930 3.960 -0.014 0.000 0.219 684 G HA3 -0.022 3.930 3.960 -0.014 0.000 0.219 684 G C -0.716 174.228 174.900 0.072 0.000 1.182 684 G CA -0.177 44.877 45.100 -0.078 0.000 0.791 684 G HN 0.165 nan 8.290 nan 0.000 0.537 685 W N 1.321 122.640 121.300 0.032 0.000 2.475 685 W HA 0.589 5.241 4.660 -0.014 0.000 0.320 685 W C -0.919 175.574 176.519 -0.044 0.000 1.022 685 W CA -1.573 55.833 57.345 0.102 0.000 1.240 685 W CB 1.255 30.801 29.460 0.144 0.000 1.328 685 W HN -0.137 nan 8.180 nan 0.000 0.439 686 Q N 4.393 124.237 119.800 0.073 0.000 2.365 686 Q HA 0.646 4.978 4.340 -0.014 0.000 0.269 686 Q C -0.511 175.349 176.000 -0.233 0.000 1.061 686 Q CA -0.753 54.885 55.803 -0.275 0.000 0.816 686 Q CB 2.766 31.089 28.738 -0.692 0.000 1.325 686 Q HN 0.426 nan 8.270 nan 0.000 0.446 687 V N -0.848 118.957 119.914 -0.181 0.000 3.102 687 V HA 0.706 4.818 4.120 -0.014 0.000 0.312 687 V C -0.937 175.283 176.094 0.210 0.000 1.135 687 V CA -0.984 61.343 62.300 0.046 0.000 1.022 687 V CB 2.321 34.087 31.823 -0.095 0.000 1.056 687 V HN 0.776 nan 8.190 nan 0.000 0.436 688 Q N 0.733 120.702 119.800 0.283 0.000 2.271 688 Q HA 0.807 5.139 4.340 -0.014 0.000 0.268 688 Q C -1.228 174.849 176.000 0.129 0.000 1.021 688 Q CA -0.385 55.531 55.803 0.187 0.000 0.802 688 Q CB 2.149 30.998 28.738 0.185 0.000 1.282 688 Q HN 1.573 nan 8.270 nan 0.000 0.431 689 A N 2.070 124.940 122.820 0.082 0.000 2.574 689 A HA 0.950 5.261 4.320 -0.014 0.000 0.297 689 A C -1.096 176.533 177.584 0.076 0.000 1.062 689 A CA -0.007 52.067 52.037 0.062 0.000 0.686 689 A CB 1.932 20.954 19.000 0.036 0.000 1.285 689 A HN 0.802 nan 8.150 nan 0.000 0.403 690 G N -0.934 107.917 108.800 0.085 0.000 2.682 690 G HA2 0.631 4.583 3.960 -0.014 0.000 0.290 690 G HA3 0.631 4.583 3.960 -0.014 0.000 0.290 690 G C -2.066 172.940 174.900 0.177 0.000 1.425 690 G CA -0.471 44.700 45.100 0.118 0.000 0.807 690 G HN 1.561 nan 8.290 nan 0.000 0.482 691 Y N 0.436 120.784 120.300 0.080 0.000 2.361 691 Y HA 0.617 5.159 4.550 -0.013 0.000 0.328 691 Y C -0.785 175.176 175.900 0.101 0.000 1.044 691 Y CA -0.551 57.605 58.100 0.092 0.000 1.085 691 Y CB 2.139 40.669 38.460 0.118 0.000 1.194 691 Y HN 0.591 nan 8.280 nan 0.000 0.438 692 T N 5.154 119.482 114.554 -0.376 0.000 2.824 692 T HA 0.256 4.597 4.350 -0.014 0.000 0.282 692 T C -1.686 172.793 174.700 -0.368 0.000 0.993 692 T CA -0.534 61.443 62.100 -0.205 0.000 0.967 692 T CB 0.840 69.646 68.868 -0.103 0.000 0.960 692 T HN 0.681 nan 8.240 nan 0.000 0.441 693 H N 2.367 121.183 119.070 -0.422 0.000 2.489 693 H HA 0.677 5.225 4.556 -0.013 0.000 0.343 693 H C -0.645 174.485 175.328 -0.329 0.000 1.086 693 H CA -0.707 55.063 56.048 -0.463 0.000 1.198 693 H CB 0.840 30.168 29.762 -0.724 0.000 1.490 693 H HN 0.601 nan 8.280 nan 0.000 0.504 694 K N 4.146 123.988 120.400 -0.929 0.000 2.527 694 K HA 0.541 4.853 4.320 -0.014 0.000 0.260 694 K C -2.054 174.203 176.600 -0.571 0.000 0.937 694 K CA -0.636 55.285 56.287 -0.610 0.000 0.826 694 K CB 1.375 33.721 32.500 -0.257 0.000 1.359 694 K HN 0.505 nan 8.250 nan 0.000 0.434 695 I N 2.984 123.352 120.570 -0.336 0.000 2.569 695 I HA 0.464 4.626 4.170 -0.014 0.000 0.290 695 I C -1.053 174.982 176.117 -0.137 0.000 1.088 695 I CA -0.982 60.204 61.300 -0.191 0.000 1.047 695 I CB 2.070 40.023 38.000 -0.078 0.000 1.237 695 I HN 0.720 nan 8.210 nan 0.000 0.421 696 I N 6.368 126.841 120.570 -0.162 0.000 2.389 696 I HA 0.536 4.697 4.170 -0.014 0.000 0.288 696 I C -0.744 175.303 176.117 -0.117 0.000 0.999 696 I CA -0.368 60.841 61.300 -0.151 0.000 1.129 696 I CB 0.611 38.451 38.000 -0.267 0.000 1.288 696 I HN 0.650 nan 8.210 nan 0.000 0.444 697 R N 4.182 124.641 120.500 -0.069 0.000 2.873 697 R HA 0.524 4.856 4.340 -0.014 0.000 0.264 697 R C -1.395 174.882 176.300 -0.039 0.000 1.026 697 R CA -0.956 55.116 56.100 -0.046 0.000 1.002 697 R CB 1.307 31.594 30.300 -0.022 0.000 1.174 697 R HN 0.579 nan 8.270 nan 0.000 0.488 698 D N -0.914 119.468 120.400 -0.029 0.000 2.181 698 D HA 0.055 4.687 4.640 -0.014 0.000 0.248 698 D C 0.241 176.531 176.300 -0.018 0.000 1.020 698 D CA -0.783 53.206 54.000 -0.018 0.000 0.891 698 D CB 1.047 41.840 40.800 -0.012 0.000 1.187 698 D HN 0.567 nan 8.370 nan 0.000 0.443 699 D N 1.170 121.558 120.400 -0.019 0.000 2.276 699 D HA -0.388 4.244 4.640 -0.014 0.000 0.200 699 D C 1.608 177.899 176.300 -0.016 0.000 1.004 699 D CA 2.067 56.054 54.000 -0.022 0.000 0.898 699 D CB -0.798 39.990 40.800 -0.020 0.000 0.906 699 D HN 0.405 nan 8.370 nan 0.000 0.457 700 S N -0.524 115.169 115.700 -0.012 0.000 2.380 700 S HA 0.062 4.524 4.470 -0.014 0.000 0.217 700 S C 1.984 176.579 174.600 -0.009 0.000 1.036 700 S CA 1.686 59.880 58.200 -0.010 0.000 1.050 700 S CB -0.690 62.504 63.200 -0.010 0.000 1.016 700 S HN 0.701 nan 8.310 nan 0.000 0.419 701 G N 0.552 109.348 108.800 -0.008 0.000 4.226 701 G HA2 0.062 4.014 3.960 -0.014 0.000 0.220 701 G HA3 0.062 4.014 3.960 -0.014 0.000 0.220 701 G C -0.303 174.599 174.900 0.002 0.000 0.817 701 G CA -0.180 44.918 45.100 -0.003 0.000 0.879 701 G HN 0.832 nan 8.290 nan 0.000 0.669 702 K N 1.631 122.031 120.400 -0.001 0.000 2.401 702 K HA 0.518 4.830 4.320 -0.014 0.000 0.278 702 K C -0.073 176.531 176.600 0.007 0.000 1.018 702 K CA -0.207 56.086 56.287 0.009 0.000 0.981 702 K CB 1.143 33.643 32.500 -0.000 0.000 0.933 702 K HN 0.016 nan 8.250 nan 0.000 0.477 703 K N 1.959 122.383 120.400 0.039 0.000 2.447 703 K HA 0.074 4.385 4.320 -0.014 0.000 0.281 703 K C -0.456 176.117 176.600 -0.045 0.000 1.031 703 K CA -0.217 56.081 56.287 0.019 0.000 1.019 703 K CB 0.924 33.498 32.500 0.123 0.000 0.918 703 K HN 0.365 nan 8.250 nan 0.000 0.476 704 V N 1.712 121.558 119.914 -0.113 0.000 3.103 704 V HA 0.112 4.224 4.120 -0.014 0.000 0.318 704 V C -0.351 175.595 176.094 -0.246 0.000 1.114 704 V CA -0.485 61.727 62.300 -0.146 0.000 1.020 704 V CB 1.994 33.747 31.823 -0.116 0.000 1.085 704 V HN 1.011 nan 8.190 nan 0.000 0.446 705 S N 0.782 116.338 115.700 -0.240 0.000 3.477 705 S HA -0.191 4.270 4.470 -0.014 0.000 0.371 705 S C 1.050 175.382 174.600 -0.446 0.000 0.965 705 S CA 0.977 58.975 58.200 -0.337 0.000 1.239 705 S CB -1.609 61.295 63.200 -0.494 0.000 0.918 705 S HN 1.272 nan 8.310 nan 0.000 0.498 706 T N -3.002 111.277 114.554 -0.458 0.000 3.160 706 T HA -0.011 4.331 4.350 -0.014 0.000 0.257 706 T C 0.958 175.234 174.700 -0.708 0.000 1.147 706 T CA 0.481 62.065 62.100 -0.860 0.000 1.064 706 T CB -0.305 67.792 68.868 -1.285 0.000 0.949 706 T HN 0.794 nan 8.240 nan 0.000 0.526 707 W N 1.377 122.360 121.300 -0.529 0.000 2.640 707 W HA 0.315 4.967 4.660 -0.013 0.000 0.271 707 W C 0.496 176.858 176.519 -0.262 0.000 1.218 707 W CA -0.363 56.811 57.345 -0.285 0.000 1.382 707 W CB 0.185 29.602 29.460 -0.072 0.000 1.067 707 W HN 0.271 nan 8.180 nan 0.000 0.590 708 E N 3.043 122.929 120.200 -0.524 0.000 2.480 708 E HA -0.016 4.326 4.350 -0.014 0.000 0.258 708 E C -2.119 174.169 176.600 -0.520 0.000 0.984 708 E CA -1.486 54.530 56.400 -0.640 0.000 0.930 708 E CB 0.842 29.948 29.700 -0.990 0.000 0.936 708 E HN -0.177 nan 8.360 nan 0.000 0.466 709 P HA 0.013 nan 4.420 nan 0.000 0.274 709 P C -0.281 176.819 177.300 -0.334 0.000 1.237 709 P CA 0.068 62.934 63.100 -0.390 0.000 0.793 709 P CB 0.720 32.150 31.700 -0.450 0.000 0.977 710 Q N -0.311 119.349 119.800 -0.233 0.000 2.331 710 Q HA 0.053 4.385 4.340 -0.014 0.000 0.203 710 Q C -0.171 175.709 176.000 -0.200 0.000 0.944 710 Q CA 1.045 56.723 55.803 -0.208 0.000 0.892 710 Q CB 0.257 28.963 28.738 -0.052 0.000 0.983 710 Q HN 0.540 nan 8.270 nan 0.000 0.482 711 D N 0.689 120.976 120.400 -0.188 0.000 2.896 711 D HA 0.193 4.824 4.640 -0.014 0.000 0.241 711 D C -0.830 175.241 176.300 -0.381 0.000 1.188 711 D CA -0.155 53.737 54.000 -0.179 0.000 0.879 711 D CB 1.782 42.680 40.800 0.164 0.000 1.553 711 D HN 0.074 nan 8.370 nan 0.000 0.515 712 Q N 0.578 120.092 119.800 -0.475 0.000 2.456 712 Q HA 0.756 5.088 4.340 -0.014 0.000 0.284 712 Q C -1.710 174.058 176.000 -0.386 0.000 1.061 712 Q CA -1.198 54.353 55.803 -0.420 0.000 0.799 712 Q CB 2.869 31.382 28.738 -0.375 0.000 1.445 712 Q HN 0.296 nan 8.270 nan 0.000 0.411 713 L N 0.040 121.176 121.223 -0.144 0.000 2.493 713 L HA 0.714 5.045 4.340 -0.014 0.000 0.265 713 L C -1.779 175.074 176.870 -0.029 0.000 0.954 713 L CA 0.026 54.870 54.840 0.007 0.000 0.844 713 L CB 2.715 44.896 42.059 0.204 0.000 1.302 713 L HN 0.744 nan 8.230 nan 0.000 0.405 714 S N 4.865 120.556 115.700 -0.015 0.000 2.521 714 S HA 0.849 5.311 4.470 -0.014 0.000 0.295 714 S C -1.317 173.235 174.600 -0.081 0.000 1.098 714 S CA -0.502 57.657 58.200 -0.068 0.000 0.999 714 S CB 1.668 64.871 63.200 0.005 0.000 1.034 714 S HN 0.779 nan 8.310 nan 0.000 0.483 715 L N 3.722 124.779 121.223 -0.277 0.000 2.482 715 L HA 0.620 4.952 4.340 -0.014 0.000 0.269 715 L C -2.193 174.363 176.870 -0.523 0.000 0.967 715 L CA -0.471 54.231 54.840 -0.229 0.000 0.851 715 L CB 0.920 42.926 42.059 -0.088 0.000 1.242 715 L HN 0.669 nan 8.230 nan 0.000 0.404 716 Y N 2.768 123.041 120.300 -0.046 0.000 2.409 716 Y HA 0.742 5.284 4.550 -0.013 0.000 0.343 716 Y C 0.163 176.187 175.900 0.207 0.000 0.973 716 Y CA -0.517 57.535 58.100 -0.079 0.000 1.064 716 Y CB 2.584 40.763 38.460 -0.470 0.000 1.207 716 Y HN 0.500 nan 8.280 nan 0.000 0.452 717 T N 1.870 116.758 114.554 0.556 0.000 2.894 717 T HA 0.709 5.050 4.350 -0.014 0.000 0.309 717 T C -1.347 173.743 174.700 0.651 0.000 1.208 717 T CA -0.617 61.821 62.100 0.562 0.000 1.016 717 T CB 0.887 70.001 68.868 0.410 0.000 1.192 717 T HN 0.729 nan 8.240 nan 0.000 0.491 718 S N 2.399 118.398 115.700 0.499 0.000 2.618 718 S HA 0.791 5.253 4.470 -0.014 0.000 0.277 718 S C -1.931 172.863 174.600 0.323 0.000 1.138 718 S CA -0.823 57.582 58.200 0.343 0.000 0.844 718 S CB 1.867 65.211 63.200 0.239 0.000 1.127 718 S HN 0.758 nan 8.310 nan 0.000 0.474 719 Y N 0.850 121.143 120.300 -0.012 0.000 2.373 719 Y HA 0.574 5.116 4.550 -0.014 0.000 0.336 719 Y C -0.735 175.002 175.900 -0.271 0.000 0.979 719 Y CA -0.797 57.180 58.100 -0.204 0.000 1.080 719 Y CB 1.650 39.803 38.460 -0.510 0.000 1.190 719 Y HN 0.886 nan 8.280 nan 0.000 0.446 720 K N 6.513 126.387 120.400 -0.877 0.000 2.263 720 K HA 0.330 4.642 4.320 -0.014 0.000 0.272 720 K C -1.083 174.930 176.600 -0.978 0.000 1.033 720 K CA -0.489 55.407 56.287 -0.652 0.000 0.884 720 K CB 0.460 32.755 32.500 -0.342 0.000 1.107 720 K HN 0.586 nan 8.250 nan 0.000 0.460 721 F N 2.511 122.158 119.950 -0.505 0.000 2.545 721 F HA 0.078 4.597 4.527 -0.014 0.000 0.348 721 F C 1.058 176.739 175.800 -0.198 0.000 1.163 721 F CA 0.336 58.160 58.000 -0.293 0.000 1.331 721 F CB 0.384 39.350 39.000 -0.056 0.000 1.138 721 F HN 0.310 nan 8.300 nan 0.000 0.602 722 K N 0.593 121.058 120.400 0.108 0.000 2.280 722 K HA 0.702 5.014 4.320 -0.014 0.000 0.234 722 K C 0.537 177.186 176.600 0.081 0.000 1.028 722 K CA -0.004 56.317 56.287 0.057 0.000 0.882 722 K CB 1.147 33.665 32.500 0.030 0.000 1.194 722 K HN 0.669 nan 8.250 nan 0.000 0.458 723 G N 0.969 109.795 108.800 0.044 0.000 2.591 723 G HA2 -0.371 3.581 3.960 -0.014 0.000 0.298 723 G HA3 -0.371 3.581 3.960 -0.014 0.000 0.298 723 G C 0.945 175.861 174.900 0.026 0.000 1.195 723 G CA 1.359 46.480 45.100 0.034 0.000 0.989 723 G HN 0.879 nan 8.290 nan 0.000 0.551 724 A N -0.720 122.113 122.820 0.020 0.000 1.972 724 A HA 0.302 4.614 4.320 -0.014 0.000 0.219 724 A C 2.180 179.770 177.584 0.011 0.000 1.169 724 A CA 2.043 54.086 52.037 0.010 0.000 0.635 724 A CB -0.271 18.727 19.000 -0.003 0.000 0.810 724 A HN 0.929 nan 8.150 nan 0.000 0.446 725 L N 0.614 121.839 121.223 0.004 0.000 2.848 725 L HA 0.086 4.418 4.340 -0.014 0.000 0.240 725 L C 0.617 177.524 176.870 0.062 0.000 1.232 725 L CA 0.354 55.193 54.840 -0.003 0.000 1.031 725 L CB -0.159 41.772 42.059 -0.214 0.000 1.338 725 L HN 0.488 nan 8.230 nan 0.000 0.509 726 D N -0.827 119.588 120.400 0.025 0.000 2.363 726 D HA -0.143 4.489 4.640 -0.014 0.000 0.226 726 D C 1.316 177.570 176.300 -0.078 0.000 1.020 726 D CA 0.617 54.616 54.000 -0.002 0.000 0.892 726 D CB 0.214 41.006 40.800 -0.013 0.000 0.900 726 D HN 0.149 nan 8.370 nan 0.000 0.531 727 K N -0.783 119.519 120.400 -0.164 0.000 2.358 727 K HA 0.222 4.534 4.320 -0.014 0.000 0.197 727 K C -0.084 176.236 176.600 -0.467 0.000 1.025 727 K CA -0.395 55.649 56.287 -0.405 0.000 1.104 727 K CB 0.597 32.716 32.500 -0.636 0.000 0.855 727 K HN 0.099 nan 8.250 nan 0.000 0.531 728 L N 1.045 122.205 121.223 -0.105 0.000 2.282 728 L HA 0.296 4.627 4.340 -0.014 0.000 0.288 728 L C -0.965 176.015 176.870 0.182 0.000 1.033 728 L CA 0.288 55.220 54.840 0.153 0.000 0.807 728 L CB 1.624 43.877 42.059 0.324 0.000 1.209 728 L HN -0.151 nan 8.230 nan 0.000 0.423 729 T N 4.371 118.994 114.554 0.114 0.000 2.824 729 T HA 0.642 4.984 4.350 -0.014 0.000 0.282 729 T C -0.868 173.885 174.700 0.089 0.000 0.993 729 T CA -0.393 61.733 62.100 0.044 0.000 0.967 729 T CB 1.693 70.547 68.868 -0.023 0.000 0.960 729 T HN 0.384 nan 8.240 nan 0.000 0.441 730 V N 1.876 121.841 119.914 0.084 0.000 2.769 730 V HA 0.979 5.091 4.120 -0.014 0.000 0.312 730 V C 0.139 176.292 176.094 0.099 0.000 1.061 730 V CA -0.299 62.074 62.300 0.122 0.000 0.931 730 V CB 2.220 34.185 31.823 0.237 0.000 1.010 730 V HN 1.108 nan 8.190 nan 0.000 0.433 731 G N 1.520 110.382 108.800 0.103 0.000 2.732 731 G HA2 0.730 4.682 3.960 -0.014 0.000 0.296 731 G HA3 0.730 4.682 3.960 -0.014 0.000 0.296 731 G C -0.817 174.225 174.900 0.237 0.000 1.448 731 G CA 0.090 45.288 45.100 0.164 0.000 0.911 731 G HN 1.176 nan 8.290 nan 0.000 0.528 732 G N -1.474 107.568 108.800 0.404 0.000 2.649 732 G HA2 1.027 4.979 3.960 -0.014 0.000 0.290 732 G HA3 1.027 4.979 3.960 -0.014 0.000 0.290 732 G C -0.480 174.682 174.900 0.437 0.000 1.426 732 G CA 0.160 45.486 45.100 0.378 0.000 0.794 732 G HN 1.753 nan 8.290 nan 0.000 0.483 733 G N -1.866 107.079 108.800 0.242 0.000 2.576 733 G HA2 0.869 4.821 3.960 -0.014 0.000 0.290 733 G HA3 0.869 4.821 3.960 -0.014 0.000 0.290 733 G C -1.361 173.399 174.900 -0.233 0.000 1.442 733 G CA 0.430 45.433 45.100 -0.162 0.000 0.792 733 G HN 1.878 nan 8.290 nan 0.000 0.491 734 A N -0.158 122.369 122.820 -0.488 0.000 2.515 734 A HA 0.934 5.246 4.320 -0.014 0.000 0.298 734 A C -0.845 176.617 177.584 -0.203 0.000 1.059 734 A CA -0.737 51.227 52.037 -0.122 0.000 0.698 734 A CB 2.375 21.463 19.000 0.147 0.000 1.289 734 A HN 1.378 nan 8.150 nan 0.000 0.404 735 R N 0.826 121.323 120.500 -0.006 0.000 2.532 735 R HA 0.611 4.943 4.340 -0.014 0.000 0.297 735 R C -2.055 174.162 176.300 -0.139 0.000 0.984 735 R CA -0.572 55.471 56.100 -0.094 0.000 0.884 735 R CB 0.795 31.033 30.300 -0.103 0.000 1.182 735 R HN 0.907 nan 8.270 nan 0.000 0.442 736 W N 5.496 126.469 121.300 -0.546 0.000 2.761 736 W HA 0.528 5.180 4.660 -0.013 0.000 0.340 736 W C -1.252 174.817 176.519 -0.751 0.000 1.072 736 W CA -0.375 56.389 57.345 -0.969 0.000 1.215 736 W CB 1.641 30.084 29.460 -1.696 0.000 1.420 736 W HN 0.767 nan 8.180 nan 0.000 0.519 737 Q N 4.059 122.744 119.800 -1.858 0.000 2.456 737 Q HA 0.744 5.076 4.340 -0.014 0.000 0.284 737 Q C -0.284 174.413 176.000 -2.172 0.000 1.061 737 Q CA -1.099 53.650 55.803 -1.757 0.000 0.799 737 Q CB 1.903 30.032 28.738 -1.015 0.000 1.445 737 Q HN 0.640 nan 8.270 nan 0.000 0.411 738 G N 1.260 109.144 108.800 -1.527 0.000 2.535 738 G HA2 0.313 4.265 3.960 -0.014 0.000 0.282 738 G HA3 0.313 4.265 3.960 -0.014 0.000 0.282 738 G C -0.677 173.995 174.900 -0.380 0.000 1.350 738 G CA -0.822 43.785 45.100 -0.822 0.000 1.039 738 G HN 0.496 nan 8.290 nan 0.000 0.509 739 K N -0.323 120.018 120.400 -0.098 0.000 2.561 739 K HA 0.252 4.564 4.320 -0.014 0.000 0.280 739 K C 0.179 176.832 176.600 0.089 0.000 0.975 739 K CA 0.688 57.013 56.287 0.063 0.000 1.024 739 K CB 0.450 33.045 32.500 0.159 0.000 0.883 739 K HN 0.588 nan 8.250 nan 0.000 0.496 740 S N 1.332 117.109 115.700 0.128 0.000 2.546 740 S HA 0.786 5.247 4.470 -0.014 0.000 0.274 740 S C -1.492 173.394 174.600 0.477 0.000 1.121 740 S CA -1.283 56.967 58.200 0.083 0.000 0.887 740 S CB 0.859 63.750 63.200 -0.514 0.000 1.094 740 S HN 0.723 nan 8.310 nan 0.000 0.474 741 W N 0.370 121.824 121.300 0.257 0.000 3.062 741 W HA 0.813 5.465 4.660 -0.013 0.000 0.336 741 W C -1.535 175.234 176.519 0.416 0.000 1.224 741 W CA -0.826 56.748 57.345 0.382 0.000 1.159 741 W CB 1.022 30.613 29.460 0.217 0.000 1.454 741 W HN 0.521 nan 8.180 nan 0.000 0.569 742 Q N 2.238 122.317 119.800 0.465 0.000 2.375 742 Q HA 0.417 4.748 4.340 -0.014 0.000 0.271 742 Q C -0.680 175.555 176.000 0.392 0.000 1.074 742 Q CA -1.140 54.814 55.803 0.253 0.000 0.808 742 Q CB 2.492 31.264 28.738 0.056 0.000 1.327 742 Q HN 0.512 nan 8.270 nan 0.000 0.441 743 M N 2.188 121.995 119.600 0.345 0.000 2.108 743 M HA 0.369 4.841 4.480 -0.014 0.000 0.354 743 M C -0.121 176.520 176.300 0.569 0.000 1.229 743 M CA -0.593 54.977 55.300 0.451 0.000 1.081 743 M CB 0.482 33.257 32.600 0.292 0.000 1.606 743 M HN 0.414 nan 8.290 nan 0.000 0.467 744 V N 5.033 125.299 119.914 0.588 0.000 2.789 744 V HA 0.533 4.645 4.120 -0.014 0.000 0.311 744 V C -1.906 174.312 176.094 0.208 0.000 1.073 744 V CA -0.784 61.741 62.300 0.375 0.000 0.921 744 V CB 2.394 34.307 31.823 0.149 0.000 1.009 744 V HN 0.743 nan 8.190 nan 0.000 0.426 745 Y N 5.156 125.216 120.300 -0.400 0.000 2.336 745 Y HA 0.464 5.005 4.550 -0.014 0.000 0.335 745 Y C 0.598 176.252 175.900 -0.410 0.000 1.046 745 Y CA -0.067 57.586 58.100 -0.745 0.000 1.198 745 Y CB 0.978 38.757 38.460 -1.135 0.000 1.182 745 Y HN 0.872 nan 8.280 nan 0.000 0.502 746 N N 5.282 123.412 118.700 -0.949 0.000 2.602 746 N HA -0.040 4.692 4.740 -0.014 0.000 0.238 746 N C 0.570 175.495 175.510 -0.975 0.000 1.084 746 N CA 0.128 52.469 53.050 -1.181 0.000 0.952 746 N CB 0.050 37.750 38.487 -1.310 0.000 1.244 746 N HN 0.924 nan 8.380 nan 0.000 0.512 747 N N 4.598 122.979 118.700 -0.531 0.000 2.120 747 N HA -0.019 4.712 4.740 -0.014 0.000 0.188 747 N C -1.223 174.126 175.510 -0.268 0.000 1.024 747 N CA 1.322 54.245 53.050 -0.212 0.000 0.852 747 N CB -0.506 37.953 38.487 -0.046 0.000 1.003 747 N HN 0.405 nan 8.380 nan 0.000 0.424 748 P HA -0.003 nan 4.420 nan 0.000 0.231 748 P C 0.290 177.431 177.300 -0.265 0.000 1.158 748 P CA 1.098 64.038 63.100 -0.268 0.000 0.763 748 P CB 0.150 31.688 31.700 -0.270 0.000 0.805 749 R N -2.716 117.570 120.500 -0.357 0.000 2.531 749 R HA 0.242 4.574 4.340 -0.014 0.000 0.316 749 R C 0.207 176.313 176.300 -0.322 0.000 0.955 749 R CA 0.071 55.986 56.100 -0.307 0.000 1.120 749 R CB 0.294 30.399 30.300 -0.325 0.000 1.361 749 R HN -0.165 nan 8.270 nan 0.000 0.534 750 S N 1.340 116.793 115.700 -0.411 0.000 3.698 750 S HA -0.193 4.269 4.470 -0.014 0.000 0.338 750 S C -0.379 173.998 174.600 -0.372 0.000 1.089 750 S CA 1.381 59.405 58.200 -0.294 0.000 0.991 750 S CB -1.079 62.085 63.200 -0.060 0.000 0.909 750 S HN 0.600 nan 8.310 nan 0.000 0.485 751 R N -1.463 118.588 120.500 -0.748 0.000 2.651 751 R HA 0.605 4.937 4.340 -0.014 0.000 0.278 751 R C -0.943 175.009 176.300 -0.580 0.000 1.010 751 R CA -1.063 54.784 56.100 -0.421 0.000 0.896 751 R CB 0.690 30.861 30.300 -0.215 0.000 1.211 751 R HN 0.137 nan 8.270 nan 0.000 0.456 752 W N 1.597 122.792 121.300 -0.174 0.000 2.150 752 W HA 0.287 4.939 4.660 -0.013 0.000 0.341 752 W C 0.308 176.827 176.519 -0.000 0.000 1.276 752 W CA 0.246 57.583 57.345 -0.013 0.000 1.238 752 W CB 0.789 30.326 29.460 0.128 0.000 1.128 752 W HN 0.450 nan 8.180 nan 0.000 0.581 753 E N 1.143 121.561 120.200 0.364 0.000 2.367 753 E HA 0.221 4.563 4.350 -0.014 0.000 0.273 753 E C -1.206 175.596 176.600 0.336 0.000 0.903 753 E CA -1.327 55.233 56.400 0.266 0.000 0.764 753 E CB 2.459 32.325 29.700 0.276 0.000 1.252 753 E HN 0.253 nan 8.360 nan 0.000 0.446 754 K N 2.506 123.018 120.400 0.186 0.000 2.213 754 K HA 0.360 4.672 4.320 -0.014 0.000 0.270 754 K C -1.450 175.241 176.600 0.152 0.000 1.002 754 K CA -0.372 56.057 56.287 0.236 0.000 0.868 754 K CB 0.567 33.142 32.500 0.125 0.000 1.093 754 K HN 0.278 nan 8.250 nan 0.000 0.454 755 F N 1.799 121.875 119.950 0.210 0.000 2.436 755 F HA 0.304 4.823 4.527 -0.013 0.000 0.340 755 F C -0.041 175.928 175.800 0.282 0.000 1.113 755 F CA -0.215 57.881 58.000 0.160 0.000 1.022 755 F CB 2.199 41.222 39.000 0.038 0.000 1.128 755 F HN 0.404 nan 8.300 nan 0.000 0.466 756 S N 2.417 118.327 115.700 0.351 0.000 2.473 756 S HA 0.395 4.857 4.470 -0.014 0.000 0.307 756 S C -0.936 173.887 174.600 0.372 0.000 1.094 756 S CA -0.687 57.728 58.200 0.359 0.000 1.070 756 S CB 1.629 64.946 63.200 0.194 0.000 1.019 756 S HN 0.505 nan 8.310 nan 0.000 0.480 757 Q N 2.697 122.727 119.800 0.384 0.000 2.372 757 Q HA 0.257 4.589 4.340 -0.014 0.000 0.259 757 Q C -0.557 175.564 176.000 0.201 0.000 0.993 757 Q CA -0.245 55.738 55.803 0.299 0.000 0.854 757 Q CB 0.571 29.445 28.738 0.227 0.000 1.231 757 Q HN 0.486 nan 8.270 nan 0.000 0.462 758 E N 3.078 123.396 120.200 0.197 0.000 2.392 758 E HA 0.003 4.344 4.350 -0.014 0.000 0.264 758 E C -0.364 176.347 176.600 0.184 0.000 1.024 758 E CA -0.022 56.478 56.400 0.166 0.000 0.903 758 E CB 0.544 30.343 29.700 0.164 0.000 0.963 758 E HN 0.824 nan 8.360 nan 0.000 0.432 759 D N 2.369 122.826 120.400 0.096 0.000 2.563 759 D HA -0.135 4.497 4.640 -0.014 0.000 0.229 759 D C -0.245 176.111 176.300 0.094 0.000 1.159 759 D CA 0.723 54.671 54.000 -0.088 0.000 0.869 759 D CB 0.107 40.865 40.800 -0.071 0.000 1.203 759 D HN 0.345 nan 8.370 nan 0.000 0.478 760 Y N -2.870 117.216 120.300 -0.358 0.000 2.609 760 Y HA 0.598 5.139 4.550 -0.014 0.000 0.336 760 Y C -1.800 173.977 175.900 -0.204 0.000 1.129 760 Y CA -1.895 56.127 58.100 -0.130 0.000 1.040 760 Y CB 0.542 38.946 38.460 -0.092 0.000 1.310 760 Y HN 0.341 nan 8.280 nan 0.000 0.460 761 W N 2.722 124.122 121.300 0.167 0.000 2.496 761 W HA 0.774 5.425 4.660 -0.014 0.000 0.327 761 W C -1.168 175.404 176.519 0.088 0.000 1.086 761 W CA -0.696 56.720 57.345 0.118 0.000 1.222 761 W CB 1.766 31.335 29.460 0.181 0.000 1.304 761 W HN 0.445 nan 8.180 nan 0.000 0.547 762 L N 3.599 124.962 121.223 0.234 0.000 2.341 762 L HA 0.604 4.936 4.340 -0.014 0.000 0.278 762 L C -0.568 176.444 176.870 0.236 0.000 1.005 762 L CA -1.176 53.791 54.840 0.211 0.000 0.818 762 L CB 1.347 43.458 42.059 0.087 0.000 1.259 762 L HN 0.032 nan 8.230 nan 0.000 0.418 763 V N 1.949 122.003 119.914 0.233 0.000 2.459 763 V HA 0.422 4.533 4.120 -0.014 0.000 0.295 763 V C -0.647 175.519 176.094 0.120 0.000 1.029 763 V CA -0.604 61.795 62.300 0.165 0.000 0.874 763 V CB 1.973 33.907 31.823 0.186 0.000 0.985 763 V HN 0.617 nan 8.190 nan 0.000 0.438 764 D N 3.670 124.168 120.400 0.164 0.000 2.269 764 D HA 0.770 5.402 4.640 -0.014 0.000 0.244 764 D C -0.579 175.851 176.300 0.216 0.000 0.992 764 D CA -0.191 53.950 54.000 0.234 0.000 0.894 764 D CB 2.313 43.375 40.800 0.437 0.000 1.248 764 D HN 0.282 nan 8.370 nan 0.000 0.468 765 L N 1.024 122.347 121.223 0.168 0.000 2.409 765 L HA 0.628 4.959 4.340 -0.014 0.000 0.255 765 L C -0.822 176.093 176.870 0.076 0.000 1.027 765 L CA -0.791 54.120 54.840 0.119 0.000 0.834 765 L CB 2.560 44.635 42.059 0.027 0.000 1.426 765 L HN 0.190 nan 8.230 nan 0.000 0.411 766 M N 2.076 121.696 119.600 0.033 0.000 2.389 766 M HA 0.705 5.177 4.480 -0.014 0.000 0.291 766 M C -2.396 173.886 176.300 -0.029 0.000 1.128 766 M CA -0.195 55.072 55.300 -0.054 0.000 0.942 766 M CB 2.204 34.689 32.600 -0.191 0.000 1.783 766 M HN 0.728 nan 8.290 nan 0.000 0.501 767 A N 4.362 127.162 122.820 -0.034 0.000 2.488 767 A HA 0.875 5.187 4.320 -0.014 0.000 0.298 767 A C -1.621 175.977 177.584 0.024 0.000 1.044 767 A CA -0.746 51.305 52.037 0.022 0.000 0.693 767 A CB 2.026 21.061 19.000 0.059 0.000 1.272 767 A HN 0.924 nan 8.150 nan 0.000 0.402 768 R N 0.960 121.492 120.500 0.055 0.000 2.744 768 R HA 0.674 5.006 4.340 -0.014 0.000 0.279 768 R C -2.249 174.135 176.300 0.141 0.000 0.977 768 R CA -0.541 55.599 56.100 0.066 0.000 0.906 768 R CB 1.723 32.027 30.300 0.006 0.000 1.197 768 R HN 0.831 nan 8.270 nan 0.000 0.463 769 Y N 2.024 122.336 120.300 0.020 0.000 2.354 769 Y HA 0.211 4.752 4.550 -0.014 0.000 0.330 769 Y C -0.970 174.943 175.900 0.020 0.000 1.011 769 Y CA -0.680 57.434 58.100 0.024 0.000 1.099 769 Y CB 2.014 40.488 38.460 0.024 0.000 1.179 769 Y HN 0.561 nan 8.280 nan 0.000 0.442 770 Q N 6.118 125.679 119.800 -0.399 0.000 2.553 770 Q HA 0.309 4.641 4.340 -0.014 0.000 0.221 770 Q C 0.194 176.073 176.000 -0.201 0.000 1.219 770 Q CA 0.396 56.070 55.803 -0.215 0.000 0.955 770 Q CB -0.118 28.503 28.738 -0.196 0.000 1.399 770 Q HN 0.910 nan 8.270 nan 0.000 0.551 771 I N 0.327 120.940 120.570 0.072 0.000 2.614 771 I HA -0.086 4.076 4.170 -0.014 0.000 0.258 771 I C 0.525 176.698 176.117 0.093 0.000 1.189 771 I CA 0.628 62.052 61.300 0.207 0.000 1.462 771 I CB 0.027 38.149 38.000 0.203 0.000 1.092 771 I HN 0.360 nan 8.210 nan 0.000 0.442 772 T N -0.876 113.705 114.554 0.045 0.000 2.885 772 T HA 0.103 4.445 4.350 -0.014 0.000 0.322 772 T C -0.025 174.698 174.700 0.039 0.000 1.387 772 T CA -0.683 61.443 62.100 0.043 0.000 1.041 772 T CB 2.113 71.011 68.868 0.050 0.000 1.287 772 T HN -0.113 nan 8.240 nan 0.000 0.491 773 D N 1.136 121.562 120.400 0.044 0.000 2.218 773 D HA -0.143 4.489 4.640 -0.014 0.000 0.194 773 D C 1.601 177.952 176.300 0.084 0.000 1.007 773 D CA 1.630 55.662 54.000 0.054 0.000 0.879 773 D CB 0.289 41.129 40.800 0.066 0.000 0.918 773 D HN 0.416 nan 8.370 nan 0.000 0.449 774 K N -1.262 119.216 120.400 0.130 0.000 2.425 774 K HA 0.216 4.528 4.320 -0.014 0.000 0.201 774 K C 0.508 177.272 176.600 0.273 0.000 1.128 774 K CA -0.203 56.224 56.287 0.233 0.000 1.000 774 K CB 1.542 34.253 32.500 0.352 0.000 0.961 774 K HN 0.094 nan 8.250 nan 0.000 0.555 775 L N 1.782 123.095 121.223 0.150 0.000 2.362 775 L HA 0.291 4.623 4.340 -0.014 0.000 0.275 775 L C -0.869 176.053 176.870 0.086 0.000 0.998 775 L CA -0.351 54.562 54.840 0.121 0.000 0.820 775 L CB 1.909 43.989 42.059 0.036 0.000 1.270 775 L HN 0.042 nan 8.230 nan 0.000 0.415 776 S N 3.454 119.205 115.700 0.086 0.000 2.570 776 S HA 0.958 5.420 4.470 -0.014 0.000 0.286 776 S C -0.842 173.813 174.600 0.091 0.000 1.099 776 S CA -0.515 57.730 58.200 0.075 0.000 0.913 776 S CB 2.020 65.241 63.200 0.034 0.000 1.085 776 S HN 0.872 nan 8.310 nan 0.000 0.480 777 A N 1.478 124.367 122.820 0.116 0.000 2.355 777 A HA 0.874 5.186 4.320 -0.014 0.000 0.317 777 A C -0.271 177.380 177.584 0.111 0.000 1.094 777 A CA -0.712 51.395 52.037 0.117 0.000 0.764 777 A CB 1.493 20.568 19.000 0.125 0.000 1.230 777 A HN 0.883 nan 8.150 nan 0.000 0.448 778 S N -0.294 115.459 115.700 0.087 0.000 2.599 778 S HA 0.772 5.234 4.470 -0.014 0.000 0.294 778 S C -1.072 173.529 174.600 0.002 0.000 1.094 778 S CA -0.640 57.581 58.200 0.036 0.000 0.931 778 S CB 1.860 65.055 63.200 -0.009 0.000 1.093 778 S HN 1.435 nan 8.310 nan 0.000 0.488 779 V N 1.907 121.766 119.914 -0.093 0.000 2.760 779 V HA 0.621 4.733 4.120 -0.014 0.000 0.309 779 V C -1.962 173.982 176.094 -0.251 0.000 1.077 779 V CA -0.660 61.458 62.300 -0.302 0.000 0.910 779 V CB 2.023 33.636 31.823 -0.350 0.000 1.008 779 V HN 0.930 nan 8.190 nan 0.000 0.424 780 N N 3.982 122.500 118.700 -0.303 0.000 2.342 780 N HA 0.698 5.430 4.740 -0.014 0.000 0.293 780 N C -1.215 174.180 175.510 -0.192 0.000 1.026 780 N CA -0.387 52.557 53.050 -0.177 0.000 0.857 780 N CB 2.294 40.722 38.487 -0.098 0.000 1.256 780 N HN 0.479 nan 8.380 nan 0.000 0.484 781 V N 2.308 122.159 119.914 -0.106 0.000 2.384 781 V HA 0.470 4.582 4.120 -0.014 0.000 0.287 781 V C -0.442 175.651 176.094 -0.002 0.000 1.020 781 V CA -0.852 61.395 62.300 -0.088 0.000 0.850 781 V CB 1.057 32.821 31.823 -0.099 0.000 0.987 781 V HN 0.627 nan 8.190 nan 0.000 0.436 782 N N 3.547 122.257 118.700 0.017 0.000 2.370 782 N HA 0.312 5.044 4.740 -0.014 0.000 0.303 782 N C 0.029 175.592 175.510 0.088 0.000 1.103 782 N CA -0.564 52.543 53.050 0.095 0.000 0.848 782 N CB 1.406 39.973 38.487 0.133 0.000 1.235 782 N HN 0.750 nan 8.380 nan 0.000 0.496 783 N N 0.643 119.418 118.700 0.124 0.000 2.641 783 N HA -0.158 4.574 4.740 -0.014 0.000 0.267 783 N C 0.521 176.059 175.510 0.046 0.000 1.087 783 N CA 0.151 53.279 53.050 0.130 0.000 0.731 783 N CB -0.956 37.643 38.487 0.187 0.000 0.886 783 N HN 0.382 nan 8.380 nan 0.000 0.547 784 V N 0.704 120.578 119.914 -0.066 0.000 2.332 784 V HA -0.213 3.899 4.120 -0.014 0.000 0.248 784 V C 1.567 177.464 176.094 -0.329 0.000 1.055 784 V CA 2.180 64.311 62.300 -0.281 0.000 1.038 784 V CB -0.497 31.024 31.823 -0.504 0.000 0.651 784 V HN 0.522 nan 8.190 nan 0.000 0.450 785 F N -0.217 119.782 119.950 0.082 0.000 2.731 785 F HA 0.257 4.775 4.527 -0.014 0.000 0.304 785 F C 1.107 176.958 175.800 0.085 0.000 1.133 785 F CA 0.109 58.154 58.000 0.076 0.000 1.380 785 F CB -0.755 38.291 39.000 0.076 0.000 1.079 785 F HN 0.187 nan 8.300 nan 0.000 0.550 786 D N 1.314 121.828 120.400 0.191 0.000 2.751 786 D HA -0.279 4.353 4.640 -0.014 0.000 0.233 786 D C 0.315 176.718 176.300 0.172 0.000 1.149 786 D CA 0.444 54.535 54.000 0.151 0.000 0.682 786 D CB -0.858 40.009 40.800 0.112 0.000 1.068 786 D HN 0.251 nan 8.370 nan 0.000 0.429 787 K N 0.474 121.011 120.400 0.229 0.000 2.447 787 K HA 0.206 4.518 4.320 -0.014 0.000 0.281 787 K C -0.069 176.670 176.600 0.231 0.000 1.031 787 K CA 0.278 56.705 56.287 0.232 0.000 1.019 787 K CB 0.601 33.262 32.500 0.269 0.000 0.918 787 K HN 0.181 nan 8.250 nan 0.000 0.476 788 T N 4.509 119.142 114.554 0.131 0.000 2.744 788 T HA 0.444 4.786 4.350 -0.014 0.000 0.291 788 T C -0.726 173.999 174.700 0.041 0.000 0.957 788 T CA -0.431 61.687 62.100 0.030 0.000 1.002 788 T CB 0.063 68.873 68.868 -0.096 0.000 0.919 788 T HN 0.533 nan 8.240 nan 0.000 0.468 789 Y N 2.068 122.239 120.300 -0.216 0.000 2.715 789 Y HA 0.780 5.322 4.550 -0.013 0.000 0.331 789 Y C -1.977 173.704 175.900 -0.365 0.000 1.197 789 Y CA -2.290 55.575 58.100 -0.391 0.000 1.079 789 Y CB 0.769 38.785 38.460 -0.738 0.000 1.298 789 Y HN 0.521 nan 8.280 nan 0.000 0.477 790 Y N -0.157 120.123 120.300 -0.034 0.000 2.409 790 Y HA 0.475 5.016 4.550 -0.014 0.000 0.339 790 Y C 1.015 177.033 175.900 0.197 0.000 1.033 790 Y CA -0.296 57.813 58.100 0.015 0.000 1.094 790 Y CB 2.475 41.026 38.460 0.152 0.000 1.210 790 Y HN 0.778 nan 8.280 nan 0.000 0.456 791 T N -2.603 112.147 114.554 0.326 0.000 3.001 791 T HA 0.188 4.530 4.350 -0.014 0.000 0.251 791 T C 0.004 174.972 174.700 0.447 0.000 1.040 791 T CA 0.029 62.372 62.100 0.405 0.000 0.985 791 T CB -0.123 68.870 68.868 0.208 0.000 1.011 791 T HN 0.520 nan 8.240 nan 0.000 0.509 792 N N 0.462 119.276 118.700 0.191 0.000 2.369 792 N HA 0.494 5.225 4.740 -0.014 0.000 0.287 792 N C -1.779 173.417 175.510 -0.522 0.000 1.067 792 N CA -0.897 52.001 53.050 -0.253 0.000 0.888 792 N CB 1.503 39.878 38.487 -0.186 0.000 1.616 792 N HN 0.251 nan 8.380 nan 0.000 0.482 793 I N 2.541 122.472 120.570 -1.066 0.000 2.478 793 I HA 0.586 4.748 4.170 -0.014 0.000 0.287 793 I C 0.842 176.528 176.117 -0.719 0.000 1.042 793 I CA -0.673 60.103 61.300 -0.873 0.000 1.067 793 I CB 1.728 39.250 38.000 -0.796 0.000 1.233 793 I HN 0.957 nan 8.210 nan 0.000 0.431 794 G N 5.100 113.579 108.800 -0.534 0.000 2.259 794 G HA2 -0.280 3.671 3.960 -0.014 0.000 0.217 794 G HA3 -0.280 3.671 3.960 -0.014 0.000 0.217 794 G C 0.132 174.932 174.900 -0.168 0.000 1.001 794 G CA -0.522 44.372 45.100 -0.342 0.000 0.627 794 G HN 0.536 nan 8.290 nan 0.000 0.501 795 F N 2.982 122.789 119.950 -0.238 0.000 2.518 795 F HA 0.452 4.970 4.527 -0.015 0.000 0.375 795 F C 1.093 176.950 175.800 0.095 0.000 1.097 795 F CA 0.147 58.127 58.000 -0.034 0.000 1.108 795 F CB -0.735 38.309 39.000 0.073 0.000 1.078 795 F HN 0.356 nan 8.300 nan 0.000 0.564 796 Y N 3.680 123.642 120.300 -0.563 0.000 3.108 796 Y HA -0.326 4.217 4.550 -0.011 0.000 0.208 796 Y C 1.079 176.801 175.900 -0.296 0.000 1.245 796 Y CA 0.940 58.770 58.100 -0.451 0.000 1.171 796 Y CB -2.355 35.761 38.460 -0.574 0.000 1.331 796 Y HN 0.793 nan 8.280 nan 0.000 0.534 797 T N -1.022 113.420 114.554 -0.186 0.000 3.970 797 T HA -0.116 4.226 4.350 -0.014 0.000 0.361 797 T C 0.137 174.670 174.700 -0.279 0.000 0.758 797 T CA 0.914 62.891 62.100 -0.204 0.000 1.940 797 T CB -1.476 67.334 68.868 -0.097 0.000 1.821 797 T HN 1.136 nan 8.240 nan 0.000 0.818 798 S N -1.308 114.194 115.700 -0.330 0.000 2.720 798 S HA 0.941 5.402 4.470 -0.014 0.000 0.287 798 S C -1.005 173.249 174.600 -0.578 0.000 1.168 798 S CA -0.417 57.544 58.200 -0.398 0.000 0.832 798 S CB 2.534 65.627 63.200 -0.179 0.000 1.166 798 S HN 1.540 nan 8.310 nan 0.000 0.493 799 A N 0.479 122.830 122.820 -0.781 0.000 2.517 799 A HA 0.798 5.110 4.320 -0.014 0.000 0.297 799 A C -0.820 176.398 177.584 -0.610 0.000 1.050 799 A CA -0.616 50.920 52.037 -0.835 0.000 0.694 799 A CB 1.645 19.945 19.000 -1.166 0.000 1.277 799 A HN 0.846 nan 8.150 nan 0.000 0.400 800 S N 0.806 116.362 115.700 -0.239 0.000 2.502 800 S HA 0.611 5.073 4.470 -0.014 0.000 0.304 800 S C -1.238 173.415 174.600 0.090 0.000 1.097 800 S CA -0.208 57.990 58.200 -0.003 0.000 1.045 800 S CB 0.513 63.731 63.200 0.029 0.000 1.019 800 S HN 0.466 nan 8.310 nan 0.000 0.481 801 Y N 1.754 122.205 120.300 0.252 0.000 2.377 801 Y HA 0.413 4.955 4.550 -0.014 0.000 0.330 801 Y C 1.342 177.151 175.900 -0.152 0.000 1.108 801 Y CA -0.058 58.033 58.100 -0.014 0.000 1.308 801 Y CB 0.327 38.804 38.460 0.028 0.000 1.216 801 Y HN 0.782 nan 8.280 nan 0.000 0.518 802 G N 2.216 110.766 108.800 -0.415 0.000 2.636 802 G HA2 0.006 3.958 3.960 -0.014 0.000 0.246 802 G HA3 0.006 3.958 3.960 -0.014 0.000 0.246 802 G C -0.563 174.131 174.900 -0.344 0.000 1.216 802 G CA -0.795 44.013 45.100 -0.486 0.000 0.854 802 G HN 0.588 nan 8.290 nan 0.000 0.572 803 D N 1.671 122.014 120.400 -0.095 0.000 2.520 803 D HA 0.106 4.738 4.640 -0.014 0.000 0.243 803 D C -1.586 174.617 176.300 -0.163 0.000 1.160 803 D CA -0.131 53.752 54.000 -0.195 0.000 0.877 803 D CB 0.843 41.737 40.800 0.157 0.000 1.150 803 D HN 0.043 nan 8.370 nan 0.000 0.494 804 P HA -0.028 nan 4.420 nan 0.000 0.272 804 P C 0.357 177.766 177.300 0.180 0.000 1.248 804 P CA -0.324 62.739 63.100 -0.061 0.000 0.799 804 P CB 0.545 32.202 31.700 -0.072 0.000 0.997 805 R N 1.607 122.190 120.500 0.138 0.000 2.585 805 R HA 0.030 4.362 4.340 -0.014 0.000 0.275 805 R C -0.148 176.161 176.300 0.014 0.000 1.018 805 R CA 0.607 56.753 56.100 0.078 0.000 1.072 805 R CB -0.613 29.707 30.300 0.033 0.000 0.953 805 R HN 0.698 nan 8.270 nan 0.000 0.419 806 N N 2.179 120.853 118.700 -0.043 0.000 2.396 806 N HA 0.389 5.121 4.740 -0.014 0.000 0.275 806 N C -1.889 173.517 175.510 -0.173 0.000 1.218 806 N CA -0.896 52.023 53.050 -0.218 0.000 0.812 806 N CB 1.248 39.648 38.487 -0.144 0.000 1.592 806 N HN 0.204 nan 8.380 nan 0.000 0.480 807 L N 0.293 121.374 121.223 -0.237 0.000 2.319 807 L HA 0.743 5.075 4.340 -0.014 0.000 0.267 807 L C -0.721 176.004 176.870 -0.243 0.000 1.011 807 L CA -0.729 53.965 54.840 -0.243 0.000 0.818 807 L CB 1.842 43.762 42.059 -0.232 0.000 1.316 807 L HN 0.829 nan 8.230 nan 0.000 0.432 808 M N 1.983 121.374 119.600 -0.348 0.000 2.213 808 M HA 0.589 5.061 4.480 -0.014 0.000 0.286 808 M C -1.839 174.212 176.300 -0.415 0.000 1.008 808 M CA -0.119 55.036 55.300 -0.242 0.000 0.937 808 M CB 1.284 33.812 32.600 -0.119 0.000 1.600 808 M HN 0.230 nan 8.290 nan 0.000 0.450 809 F N 2.559 122.486 119.950 -0.039 0.000 2.425 809 F HA 0.852 5.370 4.527 -0.014 0.000 0.331 809 F C 0.316 176.117 175.800 0.003 0.000 1.085 809 F CA -0.080 57.909 58.000 -0.018 0.000 1.028 809 F CB 1.985 40.972 39.000 -0.021 0.000 1.177 809 F HN 0.700 nan 8.300 nan 0.000 0.487 810 S N -0.408 115.403 115.700 0.185 0.000 2.567 810 S HA 0.782 5.243 4.470 -0.014 0.000 0.270 810 S C -1.239 173.433 174.600 0.120 0.000 1.152 810 S CA -1.060 57.219 58.200 0.131 0.000 0.835 810 S CB 1.685 64.932 63.200 0.078 0.000 1.115 810 S HN 0.539 nan 8.310 nan 0.000 0.459 811 T N 0.333 114.957 114.554 0.117 0.000 2.861 811 T HA 0.712 5.054 4.350 -0.014 0.000 0.287 811 T C -0.695 174.076 174.700 0.118 0.000 1.003 811 T CA -0.789 61.377 62.100 0.111 0.000 0.977 811 T CB 1.755 70.691 68.868 0.112 0.000 0.996 811 T HN 0.811 nan 8.240 nan 0.000 0.448 812 R N 1.400 121.961 120.500 0.102 0.000 2.514 812 R HA 0.509 4.841 4.340 -0.014 0.000 0.301 812 R C -1.812 174.599 176.300 0.185 0.000 0.962 812 R CA -0.815 55.346 56.100 0.102 0.000 0.882 812 R CB 1.245 31.540 30.300 -0.008 0.000 1.143 812 R HN 0.740 nan 8.270 nan 0.000 0.452 813 W N 5.475 126.758 121.300 -0.028 0.000 2.362 813 W HA 0.341 4.992 4.660 -0.014 0.000 0.316 813 W C -1.553 174.844 176.519 -0.204 0.000 1.024 813 W CA -1.392 55.922 57.345 -0.052 0.000 1.270 813 W CB 0.949 30.421 29.460 0.021 0.000 1.273 813 W HN 0.573 nan 8.180 nan 0.000 0.424 814 D N 6.131 126.477 120.400 -0.089 0.000 2.280 814 D HA 0.278 4.910 4.640 -0.014 0.000 0.243 814 D C -0.031 176.056 176.300 -0.355 0.000 1.129 814 D CA 0.081 53.860 54.000 -0.370 0.000 0.848 814 D CB 0.629 41.352 40.800 -0.129 0.000 1.107 814 D HN -0.036 nan 8.370 nan 0.000 0.471 815 F N 0.000 119.760 119.950 -0.316 0.000 2.286 815 F HA 0.000 4.518 4.527 -0.014 0.000 0.279 815 F CA 0.000 57.925 58.000 -0.125 0.000 1.383 815 F CB 0.000 38.944 39.000 -0.094 0.000 1.145 815 F HN 0.000 nan 8.300 nan 0.000 0.574