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 2fgz_1_A DATA FIRST_RESID 32 DATA SEQUENCE DVVVRLPDXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXDAFRAA FGVALADAHW DATA SEQUENCE VDKTTLLWPG GENKPIVRLY YSHSSKVAAD SNGEFSDKYV KLTPTTVNQQ DATA SEQUENCE VSMRFPHLAS YPAFKLPDDV NVDELLQGET VAIAAESDGI LSSATQVQTA DATA SEQUENCE GVLDDTYAAA AEALSYGAQL TDSGVTFRVW APTAQQVELV IYSADKKVIA DATA SEQUENCE SHPMTRDSAS GAWSWQGGSD LKGAFYRYAM TVYHPQSRKV EQYEVTDPYA DATA SEQUENCE HSLSTNSEYS QVVDLNDSAL KPEGWDGLTM PHAQKTKADL AKMTIHESHI DATA SEQUENCE RDLSAWDQTV PAELRGKYLA LTAQESNMVQ HLKQLSASGV THIELLPVFD DATA SEQUENCE LATVNEFSDK VADIQQPFSR LcEVNSAVKS SEFAGYcDSG STVEEVLTQL DATA SEQUENCE KQNDSKDNPQ VQALNTLVAQ TDSYNWGYDP FHYTVPEGSY ATDPEGTARI DATA SEQUENCE KEFRTMIQAI KQDLGMNVIM DVVYNHTNAA GPTDRTSVLD KIVPWYYQRL DATA SEQUENCE NETTGSVESA TCCSDSAPEH RMFAKLIADS LAVWTTDYKI DGFRFDLMLY DATA SEQUENCE HPKAQILSAW ERIKALNPDI YFFGEGWDSN QSDRFEIASQ INLKGTGIGT DATA SEQUENCE FSDRLRDAVR GGGPFDSGDA LRQNQGVGSG AGVLPNELTT LSDDQARHLA DATA SEQUENCE DLTRLGMAGN LADFVLIDKD GAVKRGSEID YNGAPGGYAA DPTEVVNYVS DATA SEQUENCE KHDNQTLWDM ISYKAAQEAD LDTRVRMQAV SLATVMLGQG IAFDQQGSEL DATA SEQUENCE LRSKSFTRDS YDSGDWFNRV DYSLQDNNYN VGMPRSSDDG SNYDIIARVK DATA SEQUENCE DAVATPGETE LKQMTAFYQE LTALRKSSPL FTLGDGATVM KRVDFRNTGA DATA SEQUENCE DQQTGLLVMT IDDGMQAGAS LDSRVDGIVV AINAAPESRT LQDFAGTSLQ DATA SEQUENCE LSAIQQAAGD RSLASGVQVA ADGSVTLPAW SVAVLELPQG ESQGAGLPVS DATA SEQUENCE SK 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 32 D HA 0.000 nan 4.640 nan 0.000 0.175 32 D C 0.000 176.346 176.300 0.077 0.000 2.045 32 D CA 0.000 54.056 54.000 0.093 0.000 0.868 32 D CB 0.000 40.904 40.800 0.174 0.000 0.688 33 V N 1.325 121.268 119.914 0.049 0.000 2.617 33 V HA -0.004 4.116 4.120 0.000 0.000 0.304 33 V C 0.814 176.923 176.094 0.025 0.000 1.040 33 V CA -0.149 62.170 62.300 0.032 0.000 1.149 33 V CB 0.755 32.588 31.823 0.017 0.000 0.914 33 V HN 0.316 nan 8.190 nan 0.000 0.487 34 V N 6.433 126.368 119.914 0.036 0.000 2.508 34 V HA 0.099 4.219 4.120 0.000 0.000 0.281 34 V C 0.375 176.488 176.094 0.031 0.000 1.041 34 V CA -0.267 62.059 62.300 0.044 0.000 1.016 34 V CB 1.313 33.173 31.823 0.062 0.000 0.984 34 V HN 0.626 nan 8.190 nan 0.000 0.478 35 V N 7.647 127.573 119.914 0.020 0.000 2.508 35 V HA 0.400 4.520 4.120 0.000 0.000 0.281 35 V C 0.494 176.664 176.094 0.128 0.000 1.041 35 V CA -0.095 62.197 62.300 -0.013 0.000 1.016 35 V CB 0.458 32.158 31.823 -0.204 0.000 0.984 35 V HN 1.065 nan 8.190 nan 0.000 0.478 36 R N 4.313 124.878 120.500 0.109 0.000 2.817 36 R HA 0.738 5.078 4.340 0.000 0.000 0.268 36 R C -1.395 174.979 176.300 0.124 0.000 1.027 36 R CA -1.138 55.056 56.100 0.155 0.000 0.928 36 R CB 1.366 31.704 30.300 0.063 0.000 1.228 36 R HN 0.416 nan 8.270 nan 0.000 0.469 37 L N 1.005 122.281 121.223 0.089 0.000 2.436 37 L HA 0.381 4.721 4.340 0.000 0.000 0.265 37 L C -1.897 174.901 176.870 -0.121 0.000 1.168 37 L CA -2.098 52.738 54.840 -0.008 0.000 0.815 37 L CB 0.385 42.418 42.059 -0.043 0.000 1.109 37 L HN 0.406 nan 8.230 nan 0.000 0.462 38 P HA -0.012 nan 4.420 nan 0.000 0.270 38 P C -1.169 176.025 177.300 -0.176 0.000 1.221 38 P CA -0.033 62.908 63.100 -0.265 0.000 0.788 38 P CB 0.436 31.833 31.700 -0.505 0.000 0.904 167 A N 0.890 123.775 122.820 0.107 0.000 2.028 167 A HA 0.284 4.604 4.320 0.000 0.000 0.213 167 A C 1.709 179.417 177.584 0.206 0.000 1.486 167 A CA 1.123 53.243 52.037 0.138 0.000 0.597 167 A CB -1.298 17.786 19.000 0.139 0.000 1.089 167 A HN 0.106 nan 8.150 nan 0.000 0.489 168 F N 0.735 120.744 119.950 0.098 0.000 2.494 168 F HA -0.064 4.463 4.527 0.000 0.000 0.298 168 F C 2.267 178.241 175.800 0.289 0.000 1.106 168 F CA 0.907 59.000 58.000 0.155 0.000 1.452 168 F CB 0.047 39.139 39.000 0.153 0.000 1.085 168 F HN 0.097 nan 8.300 nan 0.000 0.569 169 R N 0.049 120.692 120.500 0.238 0.000 2.093 169 R HA 0.072 4.412 4.340 0.000 0.000 0.224 169 R C 2.412 178.831 176.300 0.199 0.000 1.101 169 R CA 1.072 57.287 56.100 0.192 0.000 0.979 169 R CB -1.454 28.898 30.300 0.087 0.000 0.877 169 R HN 0.296 nan 8.270 nan 0.000 0.441 170 A N 1.386 124.273 122.820 0.112 0.000 2.070 170 A HA -0.041 4.279 4.320 0.000 0.000 0.220 170 A C 2.254 179.851 177.584 0.022 0.000 1.159 170 A CA 1.523 53.602 52.037 0.069 0.000 0.656 170 A CB -0.429 18.601 19.000 0.049 0.000 0.800 170 A HN 0.314 nan 8.150 nan 0.000 0.453 171 A N -1.303 121.479 122.820 -0.064 0.000 2.125 171 A HA 0.065 4.385 4.320 0.000 0.000 0.219 171 A C 1.006 178.323 177.584 -0.445 0.000 1.156 171 A CA 0.806 52.648 52.037 -0.325 0.000 0.671 171 A CB -0.619 17.959 19.000 -0.703 0.000 0.794 171 A HN 0.458 nan 8.150 nan 0.000 0.459 172 F N -0.255 119.604 119.950 -0.152 0.000 2.916 172 F HA 0.455 4.982 4.527 0.000 0.000 0.294 172 F C 1.210 177.023 175.800 0.023 0.000 1.189 172 F CA -0.094 57.859 58.000 -0.078 0.000 1.369 172 F CB 0.106 39.063 39.000 -0.072 0.000 0.961 172 F HN 0.190 nan 8.300 nan 0.000 0.508 173 G N -0.549 108.317 108.800 0.110 0.000 3.251 173 G HA2 0.556 4.516 3.960 0.000 0.000 0.248 173 G HA3 0.556 4.516 3.960 0.000 0.000 0.248 173 G C -1.109 173.838 174.900 0.079 0.000 1.320 173 G CA -0.653 44.530 45.100 0.139 0.000 0.982 173 G HN -0.182 nan 8.290 nan 0.000 0.575 174 V N 0.806 120.769 119.914 0.081 0.000 2.488 174 V HA 0.560 4.680 4.120 0.000 0.000 0.277 174 V C 0.527 176.648 176.094 0.045 0.000 1.046 174 V CA 0.189 62.519 62.300 0.051 0.000 0.986 174 V CB 0.272 32.129 31.823 0.056 0.000 0.989 174 V HN 1.056 nan 8.190 nan 0.000 0.475 175 A N 5.077 127.923 122.820 0.043 0.000 2.486 175 A HA 0.870 5.190 4.320 0.000 0.000 0.300 175 A C -0.542 177.087 177.584 0.076 0.000 1.048 175 A CA -0.587 51.480 52.037 0.051 0.000 0.696 175 A CB 1.091 20.106 19.000 0.025 0.000 1.278 175 A HN 0.848 nan 8.150 nan 0.000 0.405 176 L N -1.015 120.262 121.223 0.089 0.000 7.336 176 L HA -0.180 4.160 4.340 0.000 0.000 0.172 176 L C 0.536 177.484 176.870 0.130 0.000 1.169 176 L CA 0.714 55.619 54.840 0.109 0.000 1.369 176 L CB -0.749 41.374 42.059 0.107 0.000 2.701 176 L HN 1.878 nan 8.230 nan 0.000 1.115 177 A N 0.241 123.136 122.820 0.125 0.000 3.455 177 A HA 0.355 4.675 4.320 0.000 0.000 0.225 177 A C 0.035 177.647 177.584 0.047 0.000 1.052 177 A CA 0.184 52.289 52.037 0.113 0.000 1.005 177 A CB -0.165 18.972 19.000 0.228 0.000 1.318 177 A HN 0.731 nan 8.150 nan 0.000 0.639 178 D N 0.290 120.772 120.400 0.136 0.000 2.336 178 D HA 0.342 4.983 4.640 0.000 0.000 0.228 178 D C 0.421 176.956 176.300 0.392 0.000 1.120 178 D CA 0.555 54.728 54.000 0.288 0.000 0.839 178 D CB 0.324 41.331 40.800 0.344 0.000 0.932 178 D HN 0.448 nan 8.370 nan 0.000 0.509 179 A N 0.683 123.529 122.820 0.044 0.000 2.292 179 A HA 0.463 4.783 4.320 0.000 0.000 0.319 179 A C -0.690 176.858 177.584 -0.060 0.000 1.206 179 A CA -0.655 51.386 52.037 0.007 0.000 0.835 179 A CB 0.610 19.333 19.000 -0.462 0.000 1.164 179 A HN 0.331 nan 8.150 nan 0.000 0.505 180 H N 2.058 121.251 119.070 0.205 0.000 2.708 180 H HA 0.130 4.686 4.556 0.000 0.000 0.320 180 H C -1.468 174.000 175.328 0.232 0.000 0.991 180 H CA -0.301 55.837 56.048 0.150 0.000 1.243 180 H CB 1.233 30.998 29.762 0.006 0.000 1.446 180 H HN 0.813 nan 8.280 nan 0.000 0.502 181 W N 6.884 128.247 121.300 0.104 0.000 2.247 181 W HA 0.139 4.799 4.660 0.000 0.000 0.394 181 W C 0.646 177.220 176.519 0.091 0.000 0.939 181 W CA -0.908 56.498 57.345 0.102 0.000 1.548 181 W CB -0.313 29.194 29.460 0.078 0.000 1.610 181 W HN 0.480 nan 8.180 nan 0.000 0.336 182 V N 1.250 121.373 119.914 0.348 0.000 2.951 182 V HA 0.051 4.171 4.120 0.000 0.000 0.255 182 V C 0.224 176.462 176.094 0.239 0.000 1.088 182 V CA 1.526 63.951 62.300 0.208 0.000 1.109 182 V CB -0.449 31.495 31.823 0.201 0.000 0.724 182 V HN 0.406 nan 8.190 nan 0.000 0.471 183 D N -3.220 117.321 120.400 0.234 0.000 2.665 183 D HA 0.195 4.835 4.640 0.000 0.000 0.287 183 D C 0.831 177.224 176.300 0.156 0.000 1.266 183 D CA -0.688 53.393 54.000 0.135 0.000 0.830 183 D CB 1.041 41.937 40.800 0.160 0.000 1.356 183 D HN -0.265 nan 8.370 nan 0.000 0.437 184 K N -0.505 119.942 120.400 0.079 0.000 2.081 184 K HA -0.193 4.127 4.320 0.000 0.000 0.222 184 K C 1.192 177.999 176.600 0.345 0.000 1.055 184 K CA 2.767 59.130 56.287 0.127 0.000 0.954 184 K CB -1.003 31.536 32.500 0.066 0.000 0.732 184 K HN 0.773 nan 8.250 nan 0.000 0.458 185 T N -2.357 112.367 114.554 0.283 0.000 3.296 185 T HA 0.266 4.616 4.350 0.000 0.000 0.285 185 T C -0.170 174.677 174.700 0.246 0.000 1.014 185 T CA -0.638 61.620 62.100 0.264 0.000 0.920 185 T CB 0.420 69.383 68.868 0.159 0.000 1.143 185 T HN -0.073 nan 8.240 nan 0.000 0.522 186 T N 3.067 117.818 114.554 0.328 0.000 2.841 186 T HA 0.622 4.972 4.350 0.000 0.000 0.285 186 T C -1.372 173.532 174.700 0.339 0.000 0.991 186 T CA -0.735 61.531 62.100 0.277 0.000 0.966 186 T CB 1.846 70.853 68.868 0.231 0.000 0.962 186 T HN 0.198 nan 8.240 nan 0.000 0.438 187 L N 4.899 126.285 121.223 0.272 0.000 2.349 187 L HA 0.603 4.944 4.340 0.000 0.000 0.278 187 L C -1.391 175.718 176.870 0.398 0.000 0.996 187 L CA -0.888 54.128 54.840 0.293 0.000 0.825 187 L CB 1.237 43.395 42.059 0.166 0.000 1.243 187 L HN 0.665 nan 8.230 nan 0.000 0.412 188 L N 5.402 126.870 121.223 0.410 0.000 2.287 188 L HA 0.459 4.799 4.340 0.000 0.000 0.287 188 L C -1.431 175.861 176.870 0.703 0.000 1.022 188 L CA -0.448 54.669 54.840 0.462 0.000 0.814 188 L CB 1.658 43.903 42.059 0.310 0.000 1.217 188 L HN 0.660 nan 8.230 nan 0.000 0.420 189 W N 7.376 128.944 121.300 0.447 0.000 3.775 189 W HA 0.394 5.054 4.660 0.000 0.000 0.315 189 W C -2.696 173.974 176.519 0.252 0.000 1.169 189 W CA -1.501 56.051 57.345 0.345 0.000 1.266 189 W CB 1.611 31.236 29.460 0.275 0.000 1.269 189 W HN 0.133 nan 8.180 nan 0.000 0.471 190 P HA -0.017 nan 4.420 nan 0.000 0.219 190 P C 1.688 178.615 177.300 -0.622 0.000 1.150 190 P CA 2.369 65.253 63.100 -0.360 0.000 0.814 190 P CB 0.218 31.698 31.700 -0.366 0.000 0.787 191 G N -0.423 107.582 108.800 -1.324 0.000 2.498 191 G HA2 -0.138 3.822 3.960 0.000 0.000 0.219 191 G HA3 -0.138 3.822 3.960 0.000 0.000 0.219 191 G C 1.418 175.426 174.900 -1.486 0.000 1.119 191 G CA 0.747 44.967 45.100 -1.465 0.000 0.766 191 G HN 0.402 nan 8.290 nan 0.000 0.552 192 G N -0.497 107.478 108.800 -1.375 0.000 3.189 192 G HA2 0.213 4.173 3.960 0.000 0.000 0.225 192 G HA3 0.213 4.173 3.960 0.000 0.000 0.225 192 G C 0.337 175.216 174.900 -0.036 0.000 1.159 192 G CA -0.328 44.340 45.100 -0.720 0.000 0.763 192 G HN 0.463 nan 8.290 nan 0.000 0.549 193 E N 1.462 121.646 120.200 -0.027 0.000 2.366 193 E HA 0.027 4.377 4.350 0.000 0.000 0.266 193 E C 0.164 176.761 176.600 -0.004 0.000 1.015 193 E CA -0.293 56.138 56.400 0.051 0.000 0.906 193 E CB 0.106 29.771 29.700 -0.058 0.000 0.979 193 E HN 0.221 nan 8.360 nan 0.000 0.443 194 N N 2.450 121.176 118.700 0.043 0.000 2.725 194 N HA -0.189 4.551 4.740 0.000 0.000 0.249 194 N C -1.253 174.256 175.510 -0.003 0.000 1.103 194 N CA 0.944 54.004 53.050 0.016 0.000 0.707 194 N CB -0.731 37.749 38.487 -0.011 0.000 1.043 194 N HN 0.330 nan 8.380 nan 0.000 0.553 195 K N 0.282 120.681 120.400 -0.002 0.000 2.274 195 K HA 0.406 4.726 4.320 0.000 0.000 0.262 195 K C -1.465 175.128 176.600 -0.012 0.000 0.961 195 K CA -2.046 54.218 56.287 -0.037 0.000 0.833 195 K CB 1.402 33.837 32.500 -0.108 0.000 1.102 195 K HN -0.216 nan 8.250 nan 0.000 0.436 196 P HA -0.093 nan 4.420 nan 0.000 0.215 196 P C -0.388 176.912 177.300 0.000 0.000 1.157 196 P CA 1.148 64.251 63.100 0.005 0.000 0.874 196 P CB 0.274 31.976 31.700 0.003 0.000 0.790 197 I N -0.503 120.056 120.570 -0.020 0.000 2.355 197 I HA 0.191 4.361 4.170 0.000 0.000 0.288 197 I C -0.778 175.310 176.117 -0.048 0.000 0.999 197 I CA -0.726 60.559 61.300 -0.026 0.000 1.163 197 I CB 1.880 39.861 38.000 -0.032 0.000 1.316 197 I HN -0.373 nan 8.210 nan 0.000 0.454 198 V N 7.167 127.046 119.914 -0.058 0.000 2.409 198 V HA 0.529 4.649 4.120 0.000 0.000 0.290 198 V C -0.161 175.903 176.094 -0.049 0.000 1.017 198 V CA -0.602 61.635 62.300 -0.106 0.000 0.841 198 V CB 1.592 33.198 31.823 -0.361 0.000 1.003 198 V HN 0.717 nan 8.190 nan 0.000 0.426 199 R N 3.482 123.985 120.500 0.005 0.000 2.837 199 R HA 0.710 5.050 4.340 0.000 0.000 0.271 199 R C -1.584 174.733 176.300 0.029 0.000 0.993 199 R CA -1.040 55.077 56.100 0.028 0.000 0.931 199 R CB 2.565 32.864 30.300 -0.001 0.000 1.206 199 R HN 0.497 nan 8.270 nan 0.000 0.474 200 L N 2.502 123.721 121.223 -0.006 0.000 2.337 200 L HA 0.401 4.741 4.340 0.000 0.000 0.269 200 L C -1.458 175.459 176.870 0.079 0.000 1.018 200 L CA -0.387 54.432 54.840 -0.034 0.000 0.876 200 L CB 0.256 42.199 42.059 -0.194 0.000 1.236 200 L HN 0.438 nan 8.230 nan 0.000 0.436 201 Y N 4.217 124.505 120.300 -0.020 0.000 2.301 201 Y HA 0.477 5.027 4.550 0.000 0.000 0.328 201 Y C -0.229 175.713 175.900 0.070 0.000 1.242 201 Y CA 0.161 58.266 58.100 0.007 0.000 1.323 201 Y CB 0.875 39.309 38.460 -0.044 0.000 1.266 201 Y HN 0.567 nan 8.280 nan 0.000 0.527 202 Y N -1.621 118.756 120.300 0.127 0.000 2.552 202 Y HA 0.653 5.203 4.550 0.000 0.000 0.337 202 Y C -1.094 174.839 175.900 0.055 0.000 1.094 202 Y CA -1.407 56.722 58.100 0.047 0.000 1.028 202 Y CB 1.550 40.019 38.460 0.014 0.000 1.321 202 Y HN 0.417 nan 8.280 nan 0.000 0.456 203 S N 1.100 116.900 115.700 0.166 0.000 2.614 203 S HA 0.258 4.728 4.470 0.000 0.000 0.288 203 S C -0.119 174.546 174.600 0.109 0.000 1.137 203 S CA -0.415 57.852 58.200 0.112 0.000 0.992 203 S CB 0.624 63.848 63.200 0.040 0.000 1.026 203 S HN 1.002 nan 8.310 nan 0.000 0.486 204 H N 3.906 123.026 119.070 0.084 0.000 2.270 204 H HA 0.086 4.642 4.556 0.000 0.000 0.299 204 H C 1.431 176.770 175.328 0.019 0.000 1.077 204 H CA 2.717 58.796 56.048 0.052 0.000 1.294 204 H CB 0.259 30.062 29.762 0.068 0.000 1.371 204 H HN 0.507 nan 8.280 nan 0.000 0.491 205 S N -0.966 114.785 115.700 0.085 0.000 2.559 205 S HA 0.267 4.738 4.470 0.000 0.000 0.226 205 S C 0.043 174.659 174.600 0.027 0.000 1.000 205 S CA -0.241 57.974 58.200 0.026 0.000 0.948 205 S CB 0.931 64.202 63.200 0.118 0.000 0.870 205 S HN 0.204 nan 8.310 nan 0.000 0.497 206 S N 1.344 117.061 115.700 0.029 0.000 2.689 206 S HA 0.452 4.922 4.470 0.000 0.000 0.306 206 S C -0.472 174.137 174.600 0.016 0.000 1.104 206 S CA -0.816 57.400 58.200 0.026 0.000 0.973 206 S CB 1.616 64.832 63.200 0.026 0.000 1.121 206 S HN 0.217 nan 8.310 nan 0.000 0.523 207 K N 1.902 122.319 120.400 0.028 0.000 2.262 207 K HA 0.362 4.682 4.320 0.000 0.000 0.282 207 K C -0.867 175.746 176.600 0.022 0.000 1.066 207 K CA -0.414 55.895 56.287 0.037 0.000 0.901 207 K CB 0.394 32.923 32.500 0.048 0.000 1.089 207 K HN 0.399 nan 8.250 nan 0.000 0.476 208 V N 3.597 123.529 119.914 0.031 0.000 2.557 208 V HA 0.210 4.330 4.120 0.000 0.000 0.301 208 V C 0.324 176.442 176.094 0.040 0.000 1.026 208 V CA 0.626 62.958 62.300 0.053 0.000 1.137 208 V CB 0.127 32.003 31.823 0.087 0.000 0.917 208 V HN 0.948 nan 8.190 nan 0.000 0.484 209 A N 4.502 127.297 122.820 -0.041 0.000 2.586 209 A HA 0.842 5.162 4.320 0.000 0.000 0.291 209 A C -0.376 176.879 177.584 -0.547 0.000 1.062 209 A CA -0.234 51.691 52.037 -0.187 0.000 0.666 209 A CB 0.967 19.898 19.000 -0.115 0.000 1.281 209 A HN 1.509 nan 8.150 nan 0.000 0.421 210 A N 0.922 123.229 122.820 -0.856 0.000 2.425 210 A HA 0.525 4.845 4.320 0.000 0.000 0.249 210 A C 0.283 177.607 177.584 -0.433 0.000 1.084 210 A CA 0.493 51.948 52.037 -0.969 0.000 0.781 210 A CB -0.469 18.033 19.000 -0.829 0.000 1.019 210 A HN 1.128 nan 8.150 nan 0.000 0.490 211 D N 0.855 121.060 120.400 -0.325 0.000 2.440 211 D HA 0.246 4.886 4.640 0.000 0.000 0.269 211 D C 1.389 177.607 176.300 -0.137 0.000 1.249 211 D CA 0.181 54.075 54.000 -0.177 0.000 1.055 211 D CB 0.021 40.749 40.800 -0.120 0.000 1.104 211 D HN 0.418 nan 8.370 nan 0.000 0.561 212 S N -0.614 115.032 115.700 -0.090 0.000 2.419 212 S HA -0.260 4.210 4.470 0.000 0.000 0.235 212 S C 1.109 175.671 174.600 -0.064 0.000 1.019 212 S CA 1.162 59.322 58.200 -0.068 0.000 0.982 212 S CB -0.845 62.327 63.200 -0.047 0.000 0.789 212 S HN 0.508 nan 8.310 nan 0.000 0.490 213 N N 1.400 120.060 118.700 -0.065 0.000 2.461 213 N HA 0.325 5.065 4.740 0.000 0.000 0.188 213 N C 1.098 176.569 175.510 -0.064 0.000 1.134 213 N CA 0.659 53.677 53.050 -0.053 0.000 0.878 213 N CB -0.018 38.447 38.487 -0.037 0.000 0.972 213 N HN 0.632 nan 8.380 nan 0.000 0.456 214 G N 0.114 108.853 108.800 -0.101 0.000 2.147 214 G HA2 -0.287 3.673 3.960 0.000 0.000 0.244 214 G HA3 -0.287 3.673 3.960 0.000 0.000 0.244 214 G C -0.327 174.504 174.900 -0.115 0.000 1.005 214 G CA 0.045 45.074 45.100 -0.118 0.000 0.713 214 G HN 0.414 nan 8.290 nan 0.000 0.515 215 E N -1.261 118.859 120.200 -0.133 0.000 2.235 215 E HA 0.659 5.010 4.350 0.000 0.000 0.265 215 E C -0.870 175.622 176.600 -0.180 0.000 0.940 215 E CA -1.086 55.288 56.400 -0.043 0.000 0.819 215 E CB 0.997 30.705 29.700 0.014 0.000 1.206 215 E HN 0.069 nan 8.360 nan 0.000 0.409 216 F N 1.287 121.197 119.950 -0.067 0.000 2.329 216 F HA 0.175 4.702 4.527 0.000 0.000 0.362 216 F C 0.984 176.823 175.800 0.065 0.000 1.113 216 F CA -0.253 57.701 58.000 -0.077 0.000 1.212 216 F CB 0.957 39.767 39.000 -0.317 0.000 1.509 216 F HN 0.321 nan 8.300 nan 0.000 0.546 217 S N -0.305 115.476 115.700 0.136 0.000 2.522 217 S HA -0.056 4.414 4.470 0.000 0.000 0.227 217 S C 0.464 175.159 174.600 0.159 0.000 0.986 217 S CA 0.003 58.284 58.200 0.135 0.000 0.929 217 S CB -0.349 62.883 63.200 0.054 0.000 0.769 217 S HN 0.476 nan 8.310 nan 0.000 0.529 218 D N 2.681 123.200 120.400 0.198 0.000 2.390 218 D HA 0.085 4.725 4.640 0.000 0.000 0.236 218 D C 0.388 176.741 176.300 0.089 0.000 1.189 218 D CA 0.537 54.620 54.000 0.138 0.000 0.887 218 D CB 0.470 41.380 40.800 0.183 0.000 1.198 218 D HN 0.230 nan 8.370 nan 0.000 0.444 219 K N 0.748 121.029 120.400 -0.198 0.000 2.276 219 K HA 0.294 4.614 4.320 0.000 0.000 0.259 219 K C -0.267 175.936 176.600 -0.663 0.000 1.001 219 K CA -0.060 55.960 56.287 -0.444 0.000 0.927 219 K CB 0.504 32.623 32.500 -0.635 0.000 0.969 219 K HN 0.471 nan 8.250 nan 0.000 0.490 220 Y N -3.621 116.267 120.300 -0.686 0.000 2.750 220 Y HA 0.562 5.112 4.550 0.000 0.000 0.335 220 Y C -1.586 174.187 175.900 -0.213 0.000 1.252 220 Y CA -1.428 56.306 58.100 -0.610 0.000 1.064 220 Y CB 0.811 38.504 38.460 -1.278 0.000 1.321 220 Y HN 0.161 nan 8.280 nan 0.000 0.451 221 V N 1.745 121.642 119.914 -0.030 0.000 2.656 221 V HA 0.427 4.547 4.120 0.000 0.000 0.307 221 V C -0.752 175.373 176.094 0.051 0.000 1.051 221 V CA -1.378 60.895 62.300 -0.046 0.000 0.893 221 V CB 1.934 33.746 31.823 -0.018 0.000 0.999 221 V HN 0.692 nan 8.190 nan 0.000 0.426 222 K N 4.668 125.094 120.400 0.043 0.000 2.297 222 K HA 0.583 4.903 4.320 0.000 0.000 0.286 222 K C -1.015 175.612 176.600 0.045 0.000 1.053 222 K CA -0.156 56.181 56.287 0.083 0.000 0.940 222 K CB 0.785 33.337 32.500 0.086 0.000 1.019 222 K HN 0.461 nan 8.250 nan 0.000 0.475 223 L N 2.523 123.769 121.223 0.038 0.000 2.325 223 L HA 0.436 4.776 4.340 0.000 0.000 0.278 223 L C 0.334 177.272 176.870 0.113 0.000 1.023 223 L CA -0.845 54.032 54.840 0.062 0.000 0.811 223 L CB 1.742 43.814 42.059 0.021 0.000 1.249 223 L HN 0.715 nan 8.230 nan 0.000 0.431 224 T N -0.270 114.395 114.554 0.184 0.000 2.887 224 T HA 0.574 4.924 4.350 0.000 0.000 0.288 224 T C -2.752 172.138 174.700 0.318 0.000 1.021 224 T CA -2.490 59.736 62.100 0.209 0.000 1.000 224 T CB 1.903 70.848 68.868 0.127 0.000 1.034 224 T HN 0.177 nan 8.240 nan 0.000 0.467 225 P HA 0.359 nan 4.420 nan 0.000 0.266 225 P C -0.224 177.101 177.300 0.042 0.000 1.193 225 P CA 0.238 63.437 63.100 0.165 0.000 0.770 225 P CB 0.565 32.340 31.700 0.124 0.000 0.836 226 T N -0.102 114.407 114.554 -0.075 0.000 2.693 226 T HA 0.558 4.909 4.350 0.000 0.000 0.304 226 T C -1.539 173.113 174.700 -0.080 0.000 1.471 226 T CA -0.536 61.540 62.100 -0.039 0.000 0.993 226 T CB 0.661 69.536 68.868 0.012 0.000 1.554 226 T HN 0.389 nan 8.240 nan 0.000 0.496 227 T N 0.002 114.536 114.554 -0.034 0.000 2.779 227 T HA 0.633 4.983 4.350 0.000 0.000 0.280 227 T C 0.262 174.960 174.700 -0.004 0.000 0.987 227 T CA -0.657 61.425 62.100 -0.030 0.000 0.966 227 T CB 1.201 70.060 68.868 -0.014 0.000 0.933 227 T HN 0.748 nan 8.240 nan 0.000 0.442 228 V N 5.034 124.948 119.914 -0.000 0.000 2.644 228 V HA 0.113 4.233 4.120 0.000 0.000 0.305 228 V C 0.778 176.892 176.094 0.034 0.000 1.053 228 V CA -0.002 62.316 62.300 0.030 0.000 1.186 228 V CB -0.747 31.098 31.823 0.038 0.000 0.895 228 V HN 1.109 nan 8.190 nan 0.000 0.490 229 N N 3.951 122.678 118.700 0.047 0.000 2.379 229 N HA 0.158 4.898 4.740 0.000 0.000 0.260 229 N C 0.790 176.322 175.510 0.036 0.000 1.254 229 N CA -0.322 52.752 53.050 0.040 0.000 0.958 229 N CB 0.705 39.219 38.487 0.045 0.000 1.208 229 N HN 0.793 nan 8.380 nan 0.000 0.532 230 Q N -0.082 119.734 119.800 0.028 0.000 2.096 230 Q HA -0.276 4.064 4.340 0.000 0.000 0.204 230 Q C 1.642 177.653 176.000 0.018 0.000 0.982 230 Q CA 1.844 57.660 55.803 0.021 0.000 0.850 230 Q CB 0.000 28.748 28.738 0.017 0.000 0.901 230 Q HN 0.696 nan 8.270 nan 0.000 0.422 231 Q N -0.313 119.499 119.800 0.021 0.000 2.030 231 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 231 Q C 2.139 178.143 176.000 0.007 0.000 0.986 231 Q CA 2.012 57.821 55.803 0.011 0.000 0.843 231 Q CB -0.369 28.382 28.738 0.021 0.000 0.904 231 Q HN 0.222 nan 8.270 nan 0.000 0.420 232 V N 0.045 119.989 119.914 0.050 0.000 2.407 232 V HA -0.255 3.865 4.120 0.000 0.000 0.248 232 V C 2.283 178.425 176.094 0.080 0.000 1.055 232 V CA 1.829 64.189 62.300 0.100 0.000 1.049 232 V CB -0.733 31.184 31.823 0.156 0.000 0.662 232 V HN 0.412 nan 8.190 nan 0.000 0.455 233 S N -0.745 114.987 115.700 0.053 0.000 2.382 233 S HA -0.197 4.273 4.470 0.000 0.000 0.228 233 S C 2.020 176.635 174.600 0.024 0.000 1.027 233 S CA 1.515 59.741 58.200 0.044 0.000 0.991 233 S CB -0.190 63.030 63.200 0.034 0.000 0.823 233 S HN 0.400 nan 8.310 nan 0.000 0.469 234 M N 0.849 120.446 119.600 -0.005 0.000 2.156 234 M HA 0.067 4.547 4.480 0.000 0.000 0.264 234 M C 2.214 178.467 176.300 -0.079 0.000 1.067 234 M CA 1.281 56.568 55.300 -0.023 0.000 1.131 234 M CB -1.229 31.356 32.600 -0.025 0.000 1.368 234 M HN 0.332 nan 8.290 nan 0.000 0.416 235 R N -0.842 119.540 120.500 -0.196 0.000 2.075 235 R HA -0.034 4.306 4.340 0.000 0.000 0.232 235 R C 0.105 176.022 176.300 -0.638 0.000 1.126 235 R CA 0.924 56.717 56.100 -0.511 0.000 0.963 235 R CB 0.036 29.851 30.300 -0.809 0.000 0.858 235 R HN 0.235 nan 8.270 nan 0.000 0.435 236 F N -0.406 119.606 119.950 0.103 0.000 2.622 236 F HA 0.323 4.850 4.527 0.000 0.000 0.338 236 F C -1.936 173.894 175.800 0.050 0.000 1.334 236 F CA -2.298 55.777 58.000 0.124 0.000 1.179 236 F CB 1.771 40.745 39.000 -0.043 0.000 1.471 236 F HN -0.203 nan 8.300 nan 0.000 0.576 237 P HA -0.213 nan 4.420 nan 0.000 0.216 237 P C 1.236 178.610 177.300 0.124 0.000 1.150 237 P CA 1.801 64.987 63.100 0.144 0.000 0.843 237 P CB -0.201 31.571 31.700 0.120 0.000 0.787 238 H N -2.034 117.038 119.070 0.003 0.000 2.561 238 H HA 0.099 4.655 4.556 0.000 0.000 0.278 238 H C 1.251 176.491 175.328 -0.146 0.000 1.014 238 H CA 0.449 56.467 56.048 -0.050 0.000 1.211 238 H CB -0.904 28.821 29.762 -0.061 0.000 1.365 238 H HN 0.150 nan 8.280 nan 0.000 0.594 239 L N 0.012 120.901 121.223 -0.557 0.000 2.858 239 L HA 0.421 4.761 4.340 0.000 0.000 0.251 239 L C 2.162 178.860 176.870 -0.287 0.000 1.149 239 L CA 0.248 54.622 54.840 -0.777 0.000 0.955 239 L CB 0.310 41.751 42.059 -1.030 0.000 1.289 239 L HN 0.394 nan 8.230 nan 0.000 0.542 240 A N 0.555 123.316 122.820 -0.098 0.000 2.131 240 A HA -0.177 4.143 4.320 0.000 0.000 0.220 240 A C 2.331 179.946 177.584 0.051 0.000 1.158 240 A CA 1.909 53.947 52.037 0.003 0.000 0.665 240 A CB -0.324 18.690 19.000 0.023 0.000 0.795 240 A HN 0.485 nan 8.150 nan 0.000 0.460 241 S N -2.219 113.545 115.700 0.105 0.000 2.535 241 S HA 0.178 4.648 4.470 0.000 0.000 0.214 241 S C 0.421 175.142 174.600 0.201 0.000 0.980 241 S CA -0.573 57.707 58.200 0.134 0.000 0.907 241 S CB -0.513 62.763 63.200 0.126 0.000 0.790 241 S HN 0.488 nan 8.310 nan 0.000 0.510 242 Y N 2.795 123.075 120.300 -0.034 0.000 2.497 242 Y HA 0.280 4.831 4.550 0.000 0.000 0.334 242 Y C -2.180 173.690 175.900 -0.051 0.000 1.199 242 Y CA -2.419 55.670 58.100 -0.019 0.000 1.425 242 Y CB 0.145 38.609 38.460 0.008 0.000 1.291 242 Y HN 0.143 nan 8.280 nan 0.000 0.562 243 P HA 0.056 nan 4.420 nan 0.000 0.267 243 P C -1.154 175.952 177.300 -0.322 0.000 1.205 243 P CA 0.089 63.079 63.100 -0.183 0.000 0.765 243 P CB 0.675 32.271 31.700 -0.174 0.000 0.828 244 A N 3.457 126.003 122.820 -0.457 0.000 2.303 244 A HA 0.767 5.087 4.320 0.000 0.000 0.317 244 A C -0.970 176.148 177.584 -0.777 0.000 1.149 244 A CA -0.231 51.580 52.037 -0.378 0.000 0.822 244 A CB 0.250 19.171 19.000 -0.132 0.000 1.131 244 A HN 0.389 nan 8.150 nan 0.000 0.493 245 F N 0.905 120.929 119.950 0.123 0.000 2.569 245 F HA 0.430 4.957 4.527 0.000 0.000 0.312 245 F C 0.239 176.090 175.800 0.085 0.000 1.109 245 F CA -0.765 57.296 58.000 0.101 0.000 0.919 245 F CB 2.113 41.188 39.000 0.125 0.000 1.211 245 F HN 0.420 nan 8.300 nan 0.000 0.446 246 K N 3.231 123.772 120.400 0.236 0.000 2.183 246 K HA 0.604 4.924 4.320 0.000 0.000 0.274 246 K C -1.351 175.325 176.600 0.126 0.000 1.009 246 K CA -0.470 55.909 56.287 0.154 0.000 0.888 246 K CB 1.198 33.766 32.500 0.114 0.000 1.078 246 K HN 0.590 nan 8.250 nan 0.000 0.459 247 L N 5.945 127.228 121.223 0.100 0.000 2.334 247 L HA 0.456 4.796 4.340 0.000 0.000 0.275 247 L C -2.003 174.906 176.870 0.065 0.000 1.036 247 L CA -2.032 52.842 54.840 0.056 0.000 0.807 247 L CB 1.107 43.182 42.059 0.027 0.000 1.231 247 L HN 0.543 nan 8.230 nan 0.000 0.438 248 P HA 0.030 nan 4.420 nan 0.000 0.266 248 P C -0.490 176.841 177.300 0.051 0.000 1.195 248 P CA -0.077 63.048 63.100 0.041 0.000 0.768 248 P CB 0.776 32.489 31.700 0.022 0.000 0.838 249 D N 1.047 121.476 120.400 0.047 0.000 2.265 249 D HA -0.173 4.467 4.640 0.000 0.000 0.208 249 D C 1.047 177.370 176.300 0.039 0.000 0.977 249 D CA 1.424 55.452 54.000 0.047 0.000 0.871 249 D CB -0.291 40.532 40.800 0.038 0.000 0.925 249 D HN 0.526 nan 8.370 nan 0.000 0.485 250 D N 0.045 120.462 120.400 0.029 0.000 2.328 250 D HA -0.034 4.606 4.640 0.000 0.000 0.221 250 D C 0.585 176.897 176.300 0.020 0.000 1.072 250 D CA -0.277 53.735 54.000 0.020 0.000 0.850 250 D CB -0.480 40.327 40.800 0.010 0.000 0.922 250 D HN 0.050 nan 8.370 nan 0.000 0.516 251 V N 1.288 121.222 119.914 0.034 0.000 2.673 251 V HA -0.035 4.085 4.120 0.000 0.000 0.303 251 V C 0.323 176.440 176.094 0.038 0.000 1.046 251 V CA -0.186 62.134 62.300 0.034 0.000 1.126 251 V CB 0.211 32.072 31.823 0.064 0.000 0.934 251 V HN 0.277 nan 8.190 nan 0.000 0.487 252 N N 5.137 123.840 118.700 0.005 0.000 2.895 252 N HA 0.105 4.845 4.740 0.000 0.000 0.277 252 N C 0.977 176.501 175.510 0.022 0.000 1.185 252 N CA -0.366 52.683 53.050 -0.001 0.000 1.106 252 N CB 0.647 39.117 38.487 -0.028 0.000 1.422 252 N HN 0.651 nan 8.380 nan 0.000 0.521 253 V N 2.334 122.291 119.914 0.072 0.000 2.250 253 V HA -0.300 3.820 4.120 0.000 0.000 0.250 253 V C 1.949 178.072 176.094 0.049 0.000 1.060 253 V CA 2.023 64.388 62.300 0.108 0.000 1.030 253 V CB -0.586 31.228 31.823 -0.014 0.000 0.643 253 V HN 0.650 nan 8.190 nan 0.000 0.445 254 D N -0.559 119.861 120.400 0.035 0.000 2.158 254 D HA -0.224 4.417 4.640 0.000 0.000 0.197 254 D C 2.107 178.452 176.300 0.075 0.000 0.995 254 D CA 1.570 55.631 54.000 0.102 0.000 0.846 254 D CB -0.047 40.815 40.800 0.103 0.000 0.941 254 D HN 0.501 nan 8.370 nan 0.000 0.456 255 E N -0.767 119.451 120.200 0.030 0.000 2.072 255 E HA -0.047 4.303 4.350 0.000 0.000 0.190 255 E C 1.949 178.536 176.600 -0.022 0.000 0.982 255 E CA 0.599 57.006 56.400 0.012 0.000 0.803 255 E CB -0.299 29.382 29.700 -0.032 0.000 0.755 255 E HN 0.227 nan 8.360 nan 0.000 0.453 256 L N 0.217 121.382 121.223 -0.096 0.000 2.131 256 L HA -0.081 4.259 4.340 0.000 0.000 0.210 256 L C 2.107 179.015 176.870 0.064 0.000 1.092 256 L CA 1.190 55.949 54.840 -0.134 0.000 0.759 256 L CB -0.480 41.529 42.059 -0.082 0.000 0.903 256 L HN 0.213 nan 8.230 nan 0.000 0.435 257 L N -0.837 120.444 121.223 0.097 0.000 2.622 257 L HA -0.112 4.228 4.340 0.000 0.000 0.233 257 L C 2.175 179.064 176.870 0.031 0.000 1.156 257 L CA 0.184 55.066 54.840 0.070 0.000 0.866 257 L CB -0.402 41.675 42.059 0.030 0.000 0.980 257 L HN 0.350 nan 8.230 nan 0.000 0.448 258 Q N -0.129 119.692 119.800 0.036 0.000 2.311 258 Q HA 0.077 4.417 4.340 0.000 0.000 0.203 258 Q C 1.140 177.077 176.000 -0.104 0.000 0.954 258 Q CA 0.913 56.727 55.803 0.018 0.000 0.885 258 Q CB 0.449 29.269 28.738 0.136 0.000 0.963 258 Q HN 0.525 nan 8.270 nan 0.000 0.471 259 G N -0.180 108.541 108.800 -0.132 0.000 3.247 259 G HA2 0.294 4.254 3.960 0.000 0.000 0.199 259 G HA3 0.294 4.254 3.960 0.000 0.000 0.199 259 G C -1.292 173.232 174.900 -0.626 0.000 1.172 259 G CA -0.514 44.395 45.100 -0.318 0.000 0.844 259 G HN 0.074 nan 8.290 nan 0.000 0.619 260 E N 0.054 119.775 120.200 -0.798 0.000 2.266 260 E HA 0.526 4.876 4.350 0.000 0.000 0.277 260 E C -0.672 175.780 176.600 -0.247 0.000 1.018 260 E CA -0.457 55.399 56.400 -0.908 0.000 0.840 260 E CB 1.083 30.298 29.700 -0.809 0.000 1.082 260 E HN 0.512 nan 8.360 nan 0.000 0.395 261 T N 0.241 114.723 114.554 -0.119 0.000 2.861 261 T HA 0.597 4.947 4.350 0.000 0.000 0.287 261 T C -0.727 173.972 174.700 -0.001 0.000 1.003 261 T CA -0.813 61.303 62.100 0.028 0.000 0.977 261 T CB 1.476 70.397 68.868 0.090 0.000 0.996 261 T HN 0.177 nan 8.240 nan 0.000 0.448 262 V N 1.709 121.622 119.914 -0.002 0.000 2.638 262 V HA 0.771 4.891 4.120 0.000 0.000 0.306 262 V C 0.120 176.107 176.094 -0.178 0.000 1.052 262 V CA -1.142 61.106 62.300 -0.085 0.000 0.885 262 V CB 1.841 33.633 31.823 -0.053 0.000 0.999 262 V HN 1.313 nan 8.190 nan 0.000 0.424 263 A N 6.253 128.818 122.820 -0.425 0.000 2.320 263 A HA 0.850 5.170 4.320 0.000 0.000 0.287 263 A C -0.589 176.560 177.584 -0.726 0.000 1.181 263 A CA -0.178 51.426 52.037 -0.722 0.000 0.831 263 A CB 0.101 18.270 19.000 -1.386 0.000 1.102 263 A HN 0.749 nan 8.150 nan 0.000 0.513 264 I N 1.745 122.111 120.570 -0.340 0.000 2.533 264 I HA 0.565 4.735 4.170 0.000 0.000 0.290 264 I C 0.190 176.377 176.117 0.116 0.000 1.056 264 I CA -0.472 60.737 61.300 -0.151 0.000 1.057 264 I CB 2.231 39.932 38.000 -0.499 0.000 1.240 264 I HN 0.693 nan 8.210 nan 0.000 0.423 265 A N 4.683 127.645 122.820 0.236 0.000 2.342 265 A HA 0.952 5.272 4.320 0.000 0.000 0.323 265 A C -0.703 176.855 177.584 -0.043 0.000 1.125 265 A CA -0.420 51.659 52.037 0.070 0.000 0.785 265 A CB 1.518 20.472 19.000 -0.077 0.000 1.221 265 A HN 0.812 nan 8.150 nan 0.000 0.463 266 A N 1.581 124.364 122.820 -0.060 0.000 2.430 266 A HA 0.805 5.125 4.320 0.000 0.000 0.300 266 A C -0.287 177.275 177.584 -0.036 0.000 1.124 266 A CA -0.504 51.498 52.037 -0.057 0.000 0.766 266 A CB 1.010 19.965 19.000 -0.076 0.000 1.328 266 A HN 0.805 nan 8.150 nan 0.000 0.424 267 E N -0.227 119.962 120.200 -0.018 0.000 2.385 267 E HA 0.372 4.722 4.350 0.000 0.000 0.254 267 E C 1.611 178.208 176.600 -0.005 0.000 1.228 267 E CA 0.715 57.111 56.400 -0.008 0.000 0.956 267 E CB 0.792 30.496 29.700 0.007 0.000 1.116 267 E HN 0.671 nan 8.360 nan 0.000 0.507 268 S N 0.579 116.279 115.700 0.000 0.000 2.365 268 S HA -0.286 4.184 4.470 0.000 0.000 0.225 268 S C 1.244 175.846 174.600 0.004 0.000 1.039 268 S CA 1.872 60.074 58.200 0.004 0.000 1.033 268 S CB -0.832 62.372 63.200 0.006 0.000 0.887 268 S HN 0.661 nan 8.310 nan 0.000 0.447 269 D N 0.885 121.288 120.400 0.005 0.000 2.378 269 D HA 0.252 4.892 4.640 0.000 0.000 0.222 269 D C 1.435 177.737 176.300 0.003 0.000 0.980 269 D CA 0.753 54.756 54.000 0.005 0.000 0.907 269 D CB -0.936 39.867 40.800 0.005 0.000 0.899 269 D HN 0.772 nan 8.370 nan 0.000 0.527 270 G N -0.254 108.545 108.800 -0.002 0.000 2.141 270 G HA2 -0.259 3.701 3.960 0.000 0.000 0.231 270 G HA3 -0.259 3.701 3.960 0.000 0.000 0.231 270 G C 0.086 174.980 174.900 -0.010 0.000 0.984 270 G CA -0.030 45.065 45.100 -0.009 0.000 0.660 270 G HN 0.421 nan 8.290 nan 0.000 0.525 271 I N 1.217 121.786 120.570 -0.001 0.000 2.441 271 I HA 0.331 4.501 4.170 0.000 0.000 0.287 271 I C 1.279 177.409 176.117 0.022 0.000 1.049 271 I CA -0.764 60.543 61.300 0.011 0.000 1.381 271 I CB 1.326 39.335 38.000 0.015 0.000 1.409 271 I HN 0.216 nan 8.210 nan 0.000 0.523 272 L N 6.147 127.391 121.223 0.035 0.000 2.525 272 L HA -0.045 4.295 4.340 0.000 0.000 0.278 272 L C 1.280 178.216 176.870 0.111 0.000 1.218 272 L CA 0.378 55.229 54.840 0.019 0.000 0.878 272 L CB 0.902 42.978 42.059 0.028 0.000 1.127 272 L HN 0.902 nan 8.230 nan 0.000 0.492 273 S N 1.130 116.837 115.700 0.013 0.000 2.564 273 S HA 0.236 4.706 4.470 0.000 0.000 0.231 273 S C 0.269 174.818 174.600 -0.084 0.000 1.067 273 S CA 0.242 58.431 58.200 -0.018 0.000 0.908 273 S CB 0.240 63.411 63.200 -0.048 0.000 0.809 273 S HN 0.854 nan 8.310 nan 0.000 0.491 274 S N -0.195 115.485 115.700 -0.035 0.000 2.608 274 S HA 0.713 5.183 4.470 0.000 0.000 0.285 274 S C -1.323 173.361 174.600 0.140 0.000 1.108 274 S CA -0.424 57.790 58.200 0.023 0.000 0.858 274 S CB 0.881 64.108 63.200 0.045 0.000 1.077 274 S HN 1.350 nan 8.310 nan 0.000 0.450 275 A N 1.185 124.058 122.820 0.088 0.000 2.455 275 A HA 0.947 5.267 4.320 0.000 0.000 0.300 275 A C -0.343 177.237 177.584 -0.006 0.000 1.040 275 A CA -0.444 51.582 52.037 -0.019 0.000 0.697 275 A CB 1.832 20.755 19.000 -0.130 0.000 1.265 275 A HN 1.486 nan 8.150 nan 0.000 0.407 276 T N 0.613 115.079 114.554 -0.147 0.000 2.843 276 T HA 0.473 4.823 4.350 0.000 0.000 0.302 276 T C -0.713 173.897 174.700 -0.150 0.000 1.232 276 T CA -0.348 61.694 62.100 -0.095 0.000 1.009 276 T CB 1.356 70.213 68.868 -0.018 0.000 1.254 276 T HN 0.750 nan 8.240 nan 0.000 0.504 277 Q N 0.929 120.722 119.800 -0.012 0.000 2.443 277 Q HA 0.548 4.888 4.340 0.000 0.000 0.232 277 Q C -0.753 175.268 176.000 0.035 0.000 1.026 277 Q CA -0.599 55.234 55.803 0.050 0.000 0.924 277 Q CB 1.115 29.963 28.738 0.184 0.000 1.256 277 Q HN 0.441 nan 8.270 nan 0.000 0.519 278 V N 1.789 121.764 119.914 0.102 0.000 2.459 278 V HA 0.189 4.309 4.120 0.000 0.000 0.295 278 V C -0.571 175.685 176.094 0.271 0.000 1.029 278 V CA -0.761 61.604 62.300 0.109 0.000 0.874 278 V CB 1.596 33.480 31.823 0.102 0.000 0.985 278 V HN 0.688 nan 8.190 nan 0.000 0.438 279 Q N 2.029 121.911 119.800 0.137 0.000 2.322 279 Q HA 0.288 4.628 4.340 0.000 0.000 0.256 279 Q C 0.716 176.838 176.000 0.204 0.000 0.960 279 Q CA -0.103 55.815 55.803 0.191 0.000 0.934 279 Q CB 1.386 30.028 28.738 -0.160 0.000 1.200 279 Q HN 0.961 nan 8.270 nan 0.000 0.435 280 T N -2.081 112.629 114.554 0.259 0.000 3.069 280 T HA 0.190 4.540 4.350 0.000 0.000 0.252 280 T C 1.641 176.404 174.700 0.104 0.000 1.053 280 T CA 0.357 62.560 62.100 0.172 0.000 0.964 280 T CB 0.304 69.260 68.868 0.146 0.000 1.005 280 T HN 0.507 nan 8.240 nan 0.000 0.532 281 A N 2.028 124.920 122.820 0.120 0.000 1.927 281 A HA 0.069 4.389 4.320 0.000 0.000 0.220 281 A C 2.544 180.137 177.584 0.015 0.000 1.185 281 A CA 2.032 54.099 52.037 0.050 0.000 0.639 281 A CB -1.646 17.200 19.000 -0.258 0.000 0.820 281 A HN 0.621 nan 8.150 nan 0.000 0.451 282 G N -1.159 107.635 108.800 -0.010 0.000 2.421 282 G HA2 -0.129 3.831 3.960 0.000 0.000 0.216 282 G HA3 -0.129 3.831 3.960 0.000 0.000 0.216 282 G C 1.626 176.591 174.900 0.108 0.000 1.171 282 G CA 1.212 46.398 45.100 0.143 0.000 0.775 282 G HN 0.612 nan 8.290 nan 0.000 0.543 283 V N 0.697 120.573 119.914 -0.063 0.000 2.515 283 V HA 0.002 4.122 4.120 0.000 0.000 0.250 283 V C 2.808 178.807 176.094 -0.160 0.000 1.058 283 V CA 1.317 63.456 62.300 -0.268 0.000 1.064 283 V CB -0.226 31.040 31.823 -0.929 0.000 0.675 283 V HN 0.406 nan 8.190 nan 0.000 0.461 284 L N -0.339 120.884 121.223 -0.001 0.000 2.046 284 L HA -0.152 4.189 4.340 0.000 0.000 0.208 284 L C 2.400 179.453 176.870 0.305 0.000 1.077 284 L CA 2.031 57.000 54.840 0.214 0.000 0.747 284 L CB -0.720 41.481 42.059 0.236 0.000 0.896 284 L HN 0.336 nan 8.230 nan 0.000 0.432 285 D N -0.223 120.337 120.400 0.267 0.000 2.117 285 D HA -0.197 4.443 4.640 0.000 0.000 0.198 285 D C 1.765 178.133 176.300 0.114 0.000 0.982 285 D CA 1.233 55.370 54.000 0.229 0.000 0.828 285 D CB -0.097 40.839 40.800 0.225 0.000 0.967 285 D HN 0.238 nan 8.370 nan 0.000 0.464 286 D N -1.000 119.439 120.400 0.064 0.000 2.218 286 D HA -0.087 4.553 4.640 0.000 0.000 0.204 286 D C 1.592 177.849 176.300 -0.072 0.000 0.976 286 D CA 1.241 55.245 54.000 0.007 0.000 0.853 286 D CB 0.200 41.007 40.800 0.011 0.000 0.939 286 D HN 0.073 nan 8.370 nan 0.000 0.481 287 T N -1.636 112.818 114.554 -0.167 0.000 2.901 287 T HA 0.000 4.350 4.350 0.000 0.000 0.252 287 T C 0.978 175.422 174.700 -0.426 0.000 1.035 287 T CA 0.788 62.640 62.100 -0.415 0.000 1.142 287 T CB -0.163 68.220 68.868 -0.808 0.000 0.869 287 T HN 0.213 nan 8.240 nan 0.000 0.442 288 Y N 0.414 120.769 120.300 0.091 0.000 2.483 288 Y HA 0.588 5.138 4.550 0.000 0.000 0.258 288 Y C 2.474 178.442 175.900 0.112 0.000 1.083 288 Y CA -0.340 57.854 58.100 0.157 0.000 1.283 288 Y CB -0.628 38.030 38.460 0.329 0.000 1.178 288 Y HN 0.129 nan 8.280 nan 0.000 0.515 289 A N 1.260 124.198 122.820 0.197 0.000 1.884 289 A HA -0.287 4.033 4.320 0.000 0.000 0.219 289 A C 2.456 180.034 177.584 -0.009 0.000 1.197 289 A CA 2.747 54.791 52.037 0.011 0.000 0.637 289 A CB -1.300 17.718 19.000 0.029 0.000 0.827 289 A HN 0.421 nan 8.150 nan 0.000 0.450 290 A N -0.501 122.333 122.820 0.023 0.000 1.865 290 A HA 0.092 4.412 4.320 0.000 0.000 0.217 290 A C 2.567 180.166 177.584 0.026 0.000 1.191 290 A CA 2.655 54.701 52.037 0.015 0.000 0.623 290 A CB -1.191 17.818 19.000 0.014 0.000 0.826 290 A HN 1.274 nan 8.150 nan 0.000 0.444 291 A N -0.467 122.386 122.820 0.055 0.000 1.933 291 A HA 0.193 4.513 4.320 0.000 0.000 0.218 291 A C 2.467 180.100 177.584 0.081 0.000 1.175 291 A CA 2.054 54.133 52.037 0.070 0.000 0.628 291 A CB -0.905 18.155 19.000 0.101 0.000 0.814 291 A HN 1.085 nan 8.150 nan 0.000 0.444 292 A N -0.366 122.504 122.820 0.083 0.000 1.968 292 A HA -0.099 4.222 4.320 0.000 0.000 0.217 292 A C 1.873 179.485 177.584 0.046 0.000 1.169 292 A CA 1.371 53.442 52.037 0.057 0.000 0.638 292 A CB -0.425 18.419 19.000 -0.261 0.000 0.812 292 A HN 0.608 nan 8.150 nan 0.000 0.446 293 E N -0.230 119.957 120.200 -0.022 0.000 2.204 293 E HA -0.087 4.263 4.350 0.000 0.000 0.194 293 E C 1.923 178.556 176.600 0.055 0.000 0.989 293 E CA 0.756 57.160 56.400 0.007 0.000 0.824 293 E CB -0.189 29.501 29.700 -0.017 0.000 0.756 293 E HN 0.613 nan 8.360 nan 0.000 0.477 294 A N 0.634 123.479 122.820 0.042 0.000 2.235 294 A HA 0.078 4.398 4.320 0.000 0.000 0.208 294 A C 0.922 178.513 177.584 0.013 0.000 1.172 294 A CA 0.301 52.355 52.037 0.027 0.000 0.786 294 A CB -0.058 18.951 19.000 0.015 0.000 0.804 294 A HN 0.030 nan 8.150 nan 0.000 0.479 295 L N -1.012 120.224 121.223 0.021 0.000 2.332 295 L HA 0.490 4.830 4.340 0.000 0.000 0.269 295 L C 0.005 176.791 176.870 -0.140 0.000 1.016 295 L CA -0.664 54.110 54.840 -0.110 0.000 0.809 295 L CB 1.922 43.832 42.059 -0.247 0.000 1.280 295 L HN -0.039 nan 8.230 nan 0.000 0.447 296 S N -0.717 114.808 115.700 -0.292 0.000 2.549 296 S HA 0.673 5.144 4.470 0.000 0.000 0.297 296 S C -1.159 173.118 174.600 -0.538 0.000 1.115 296 S CA -0.432 57.651 58.200 -0.194 0.000 1.059 296 S CB 1.209 64.373 63.200 -0.061 0.000 1.046 296 S HN 0.252 nan 8.310 nan 0.000 0.506 297 Y N 0.374 120.497 120.300 -0.295 0.000 2.621 297 Y HA 0.745 5.295 4.550 0.000 0.000 0.334 297 Y C 0.915 176.648 175.900 -0.278 0.000 1.074 297 Y CA 0.069 57.889 58.100 -0.467 0.000 1.149 297 Y CB 1.439 39.235 38.460 -1.107 0.000 1.302 297 Y HN 1.011 nan 8.280 nan 0.000 0.501 298 G N 0.121 108.964 108.800 0.072 0.000 2.610 298 G HA2 0.156 4.116 3.960 0.000 0.000 0.304 298 G HA3 0.156 4.116 3.960 0.000 0.000 0.304 298 G C -1.207 173.742 174.900 0.082 0.000 1.309 298 G CA -0.649 44.568 45.100 0.195 0.000 0.906 298 G HN 1.144 nan 8.290 nan 0.000 0.521 299 A N 0.024 122.822 122.820 -0.038 0.000 2.650 299 A HA 0.627 4.947 4.320 0.000 0.000 0.320 299 A C 0.534 177.919 177.584 -0.331 0.000 1.466 299 A CA 0.198 51.930 52.037 -0.509 0.000 1.099 299 A CB -0.150 18.456 19.000 -0.657 0.000 1.136 299 A HN 0.604 nan 8.150 nan 0.000 0.532 300 Q N 1.517 121.147 119.800 -0.283 0.000 2.472 300 Q HA 0.346 4.686 4.340 0.000 0.000 0.227 300 Q C -0.700 175.198 176.000 -0.170 0.000 1.156 300 Q CA -0.115 55.600 55.803 -0.146 0.000 0.924 300 Q CB 0.883 29.567 28.738 -0.090 0.000 1.354 300 Q HN 0.684 nan 8.270 nan 0.000 0.525 301 L N 2.890 124.029 121.223 -0.141 0.000 2.264 301 L HA 0.458 4.799 4.340 0.000 0.000 0.289 301 L C -0.125 176.705 176.870 -0.065 0.000 1.044 301 L CA 0.253 55.024 54.840 -0.116 0.000 0.807 301 L CB 1.167 43.159 42.059 -0.111 0.000 1.192 301 L HN 0.575 nan 8.230 nan 0.000 0.425 302 T N -0.548 113.972 114.554 -0.057 0.000 2.883 302 T HA 0.322 4.672 4.350 0.000 0.000 0.284 302 T C 0.549 175.228 174.700 -0.034 0.000 1.041 302 T CA -0.205 61.872 62.100 -0.039 0.000 1.007 302 T CB 1.117 69.963 68.868 -0.036 0.000 1.220 302 T HN 0.540 nan 8.240 nan 0.000 0.552 303 D N 0.041 120.426 120.400 -0.026 0.000 2.218 303 D HA -0.068 4.572 4.640 0.000 0.000 0.204 303 D C 1.969 178.256 176.300 -0.021 0.000 0.976 303 D CA 1.347 55.335 54.000 -0.021 0.000 0.853 303 D CB -0.200 40.590 40.800 -0.017 0.000 0.939 303 D HN 0.460 nan 8.370 nan 0.000 0.481 304 S N -1.071 114.614 115.700 -0.025 0.000 2.414 304 S HA 0.339 4.809 4.470 0.000 0.000 0.227 304 S C 1.045 175.627 174.600 -0.030 0.000 1.022 304 S CA 0.604 58.788 58.200 -0.027 0.000 0.958 304 S CB 0.512 63.694 63.200 -0.030 0.000 0.797 304 S HN 0.528 nan 8.310 nan 0.000 0.493 305 G N -0.268 108.511 108.800 -0.034 0.000 2.360 305 G HA2 0.398 4.358 3.960 0.000 0.000 0.276 305 G HA3 0.398 4.358 3.960 0.000 0.000 0.276 305 G C -2.049 172.822 174.900 -0.048 0.000 1.256 305 G CA -0.059 45.021 45.100 -0.033 0.000 0.890 305 G HN 0.331 nan 8.290 nan 0.000 0.486 306 V N -0.397 119.491 119.914 -0.043 0.000 2.841 306 V HA 0.839 4.959 4.120 0.000 0.000 0.310 306 V C -0.964 175.093 176.094 -0.061 0.000 1.090 306 V CA -0.157 62.085 62.300 -0.097 0.000 0.930 306 V CB 2.214 33.951 31.823 -0.143 0.000 1.014 306 V HN 1.106 nan 8.190 nan 0.000 0.425 307 T N 7.101 121.580 114.554 -0.125 0.000 2.847 307 T HA 0.598 4.948 4.350 0.000 0.000 0.291 307 T C -0.967 173.710 174.700 -0.040 0.000 0.998 307 T CA 0.019 62.110 62.100 -0.016 0.000 0.967 307 T CB 0.656 69.498 68.868 -0.044 0.000 0.954 307 T HN 0.398 nan 8.240 nan 0.000 0.441 308 F N 2.470 122.486 119.950 0.110 0.000 2.399 308 F HA 0.697 5.224 4.527 0.000 0.000 0.334 308 F C 0.800 176.698 175.800 0.163 0.000 1.097 308 F CA -0.920 57.173 58.000 0.155 0.000 1.076 308 F CB 1.209 40.355 39.000 0.243 0.000 1.162 308 F HN 0.259 nan 8.300 nan 0.000 0.495 309 R N 1.908 122.598 120.500 0.317 0.000 2.535 309 R HA 0.737 5.077 4.340 0.000 0.000 0.274 309 R C -2.401 174.055 176.300 0.260 0.000 1.090 309 R CA -0.662 55.545 56.100 0.179 0.000 0.930 309 R CB 2.193 32.413 30.300 -0.134 0.000 1.223 309 R HN 0.611 nan 8.270 nan 0.000 0.441 310 V N 4.959 125.021 119.914 0.247 0.000 2.760 310 V HA 0.533 4.653 4.120 0.000 0.000 0.309 310 V C -1.625 174.717 176.094 0.413 0.000 1.077 310 V CA -0.732 61.691 62.300 0.204 0.000 0.910 310 V CB 1.754 33.284 31.823 -0.489 0.000 1.008 310 V HN 0.855 nan 8.190 nan 0.000 0.424 311 W N 6.756 128.177 121.300 0.202 0.000 2.335 311 W HA 0.701 5.361 4.660 0.000 0.000 0.306 311 W C 0.081 176.662 176.519 0.103 0.000 1.216 311 W CA -0.182 57.251 57.345 0.146 0.000 1.237 311 W CB 1.216 30.618 29.460 -0.096 0.000 1.243 311 W HN 0.836 nan 8.180 nan 0.000 0.493 312 A N 9.265 131.935 122.820 -0.250 0.000 3.422 312 A HA 0.266 4.586 4.320 0.000 0.000 0.271 312 A C -1.740 175.643 177.584 -0.335 0.000 1.104 312 A CA -0.723 51.124 52.037 -0.316 0.000 0.899 312 A CB 0.418 19.320 19.000 -0.164 0.000 1.309 312 A HN 0.471 nan 8.150 nan 0.000 0.580 313 P HA -0.141 nan 4.420 nan 0.000 0.225 313 P C 1.110 178.102 177.300 -0.513 0.000 1.148 313 P CA 2.010 64.555 63.100 -0.925 0.000 0.779 313 P CB 0.011 30.805 31.700 -1.510 0.000 0.780 314 T N -4.650 109.705 114.554 -0.331 0.000 3.001 314 T HA 0.444 4.794 4.350 0.000 0.000 0.251 314 T C 1.006 175.682 174.700 -0.039 0.000 1.040 314 T CA -0.082 61.932 62.100 -0.143 0.000 0.985 314 T CB -0.383 68.414 68.868 -0.118 0.000 1.011 314 T HN 0.066 nan 8.240 nan 0.000 0.509 315 A N 1.622 124.429 122.820 -0.022 0.000 2.498 315 A HA 0.302 4.622 4.320 0.000 0.000 0.239 315 A C 1.242 178.896 177.584 0.116 0.000 1.068 315 A CA -0.264 51.760 52.037 -0.022 0.000 0.766 315 A CB 0.213 19.087 19.000 -0.211 0.000 1.003 315 A HN 0.539 nan 8.150 nan 0.000 0.497 316 Q N 0.140 119.964 119.800 0.041 0.000 2.302 316 Q HA 0.021 4.361 4.340 0.000 0.000 0.202 316 Q C -0.013 176.076 176.000 0.149 0.000 0.936 316 Q CA 0.889 56.771 55.803 0.131 0.000 0.886 316 Q CB 0.232 29.005 28.738 0.058 0.000 0.986 316 Q HN 0.845 nan 8.270 nan 0.000 0.487 317 Q N -0.310 119.438 119.800 -0.086 0.000 2.377 317 Q HA 0.549 4.889 4.340 0.000 0.000 0.279 317 Q C -1.743 173.899 176.000 -0.597 0.000 1.049 317 Q CA -0.544 55.125 55.803 -0.224 0.000 0.825 317 Q CB 3.323 32.016 28.738 -0.075 0.000 1.401 317 Q HN -0.118 nan 8.270 nan 0.000 0.404 318 V N 1.540 120.980 119.914 -0.790 0.000 2.655 318 V HA 0.353 4.473 4.120 0.000 0.000 0.301 318 V C -1.055 174.887 176.094 -0.252 0.000 1.082 318 V CA -0.704 61.184 62.300 -0.686 0.000 0.899 318 V CB 2.004 33.052 31.823 -1.291 0.000 1.014 318 V HN 0.695 nan 8.190 nan 0.000 0.429 319 E N 3.255 123.399 120.200 -0.092 0.000 2.238 319 E HA 0.526 4.876 4.350 0.000 0.000 0.267 319 E C -1.311 175.303 176.600 0.022 0.000 0.887 319 E CA -1.125 55.262 56.400 -0.021 0.000 0.769 319 E CB 3.246 32.918 29.700 -0.045 0.000 1.187 319 E HN 0.488 nan 8.360 nan 0.000 0.416 320 L N 3.300 124.489 121.223 -0.056 0.000 2.261 320 L HA 0.221 4.561 4.340 0.000 0.000 0.289 320 L C -1.155 175.571 176.870 -0.240 0.000 1.059 320 L CA -0.402 54.352 54.840 -0.144 0.000 0.816 320 L CB 0.911 42.718 42.059 -0.419 0.000 1.191 320 L HN 0.228 nan 8.230 nan 0.000 0.431 321 V N 6.731 126.567 119.914 -0.128 0.000 2.370 321 V HA 0.401 4.522 4.120 0.000 0.000 0.279 321 V C 0.250 176.279 176.094 -0.108 0.000 1.029 321 V CA -0.613 61.584 62.300 -0.171 0.000 0.870 321 V CB 1.127 32.914 31.823 -0.059 0.000 0.984 321 V HN 0.509 nan 8.190 nan 0.000 0.451 322 I N 5.324 125.746 120.570 -0.246 0.000 2.359 322 I HA 0.455 4.625 4.170 0.000 0.000 0.294 322 I C -0.435 175.579 176.117 -0.173 0.000 0.987 322 I CA -0.555 60.694 61.300 -0.085 0.000 1.225 322 I CB 1.041 38.979 38.000 -0.102 0.000 1.366 322 I HN 0.505 nan 8.210 nan 0.000 0.466 323 Y N 3.027 123.380 120.300 0.089 0.000 2.468 323 Y HA 0.358 4.908 4.550 0.000 0.000 0.342 323 Y C 0.986 176.935 175.900 0.082 0.000 1.021 323 Y CA -0.547 57.584 58.100 0.052 0.000 1.079 323 Y CB 1.872 40.317 38.460 -0.025 0.000 1.226 323 Y HN 0.627 nan 8.280 nan 0.000 0.460 324 S N 0.655 116.471 115.700 0.194 0.000 2.634 324 S HA 0.413 4.883 4.470 0.000 0.000 0.261 324 S C 1.296 176.025 174.600 0.215 0.000 1.271 324 S CA -0.227 58.062 58.200 0.149 0.000 0.985 324 S CB 1.073 64.322 63.200 0.082 0.000 0.968 324 S HN 0.878 nan 8.310 nan 0.000 0.568 325 A N 0.365 123.303 122.820 0.196 0.000 1.978 325 A HA -0.078 4.242 4.320 0.000 0.000 0.220 325 A C 1.475 179.110 177.584 0.085 0.000 1.170 325 A CA 1.596 53.788 52.037 0.259 0.000 0.636 325 A CB -0.855 18.248 19.000 0.172 0.000 0.810 325 A HN 0.851 nan 8.150 nan 0.000 0.448 326 D N -0.208 120.216 120.400 0.039 0.000 2.319 326 D HA 0.067 4.707 4.640 0.000 0.000 0.230 326 D C -0.182 176.082 176.300 -0.061 0.000 1.094 326 D CA 0.217 54.208 54.000 -0.015 0.000 0.856 326 D CB 0.176 40.982 40.800 0.011 0.000 0.915 326 D HN 0.170 nan 8.370 nan 0.000 0.517 327 K N 0.428 120.761 120.400 -0.113 0.000 3.117 327 K HA -0.144 4.176 4.320 0.000 0.000 0.269 327 K C -0.244 176.448 176.600 0.153 0.000 1.098 327 K CA 0.557 56.731 56.287 -0.189 0.000 0.785 327 K CB -1.689 30.549 32.500 -0.437 0.000 1.242 327 K HN 0.192 nan 8.250 nan 0.000 0.491 328 K N 0.446 120.949 120.400 0.172 0.000 2.159 328 K HA 0.389 4.710 4.320 0.000 0.000 0.266 328 K C 0.330 176.962 176.600 0.054 0.000 0.975 328 K CA -0.879 55.489 56.287 0.136 0.000 0.865 328 K CB 1.765 34.296 32.500 0.052 0.000 1.087 328 K HN -0.095 nan 8.250 nan 0.000 0.446 329 V N 5.116 124.967 119.914 -0.106 0.000 2.529 329 V HA -0.004 4.116 4.120 0.000 0.000 0.292 329 V C 1.637 177.587 176.094 -0.240 0.000 1.028 329 V CA 0.346 62.388 62.300 -0.429 0.000 1.074 329 V CB -0.170 31.424 31.823 -0.382 0.000 0.958 329 V HN 0.709 nan 8.190 nan 0.000 0.481 330 I N 1.909 122.328 120.570 -0.251 0.000 4.181 330 I HA 0.744 4.914 4.170 0.000 0.000 0.331 330 I C 0.597 176.599 176.117 -0.191 0.000 1.312 330 I CA 0.180 61.390 61.300 -0.150 0.000 1.146 330 I CB 0.447 38.403 38.000 -0.075 0.000 1.074 330 I HN 0.574 nan 8.210 nan 0.000 0.402 331 A N 0.532 123.169 122.820 -0.306 0.000 2.586 331 A HA 0.632 4.952 4.320 0.000 0.000 0.296 331 A C -1.048 176.191 177.584 -0.573 0.000 1.040 331 A CA -0.317 51.456 52.037 -0.441 0.000 0.701 331 A CB 1.235 19.940 19.000 -0.492 0.000 1.277 331 A HN 0.042 nan 8.150 nan 0.000 0.413 332 S N 1.287 116.625 115.700 -0.603 0.000 2.756 332 S HA 0.601 5.071 4.470 0.000 0.000 0.303 332 S C -1.311 172.974 174.600 -0.524 0.000 1.135 332 S CA -0.494 57.422 58.200 -0.474 0.000 1.066 332 S CB 0.210 63.251 63.200 -0.264 0.000 1.008 332 S HN 0.641 nan 8.310 nan 0.000 0.482 333 H N 5.133 123.997 119.070 -0.343 0.000 2.541 333 H HA 0.368 4.924 4.556 0.000 0.000 0.316 333 H C -2.547 172.678 175.328 -0.171 0.000 1.043 333 H CA -1.918 53.920 56.048 -0.349 0.000 1.232 333 H CB 1.289 30.463 29.762 -0.981 0.000 1.406 333 H HN 0.449 nan 8.280 nan 0.000 0.469 334 P HA 0.046 nan 4.420 nan 0.000 0.271 334 P C 0.132 177.606 177.300 0.291 0.000 1.220 334 P CA 0.001 63.195 63.100 0.157 0.000 0.768 334 P CB 0.984 32.782 31.700 0.163 0.000 0.848 335 M N 1.424 121.229 119.600 0.341 0.000 2.267 335 M HA 0.243 4.723 4.480 0.000 0.000 0.303 335 M C 0.702 177.315 176.300 0.522 0.000 1.164 335 M CA 0.080 55.679 55.300 0.498 0.000 1.060 335 M CB 0.486 33.389 32.600 0.505 0.000 1.455 335 M HN 0.207 nan 8.290 nan 0.000 0.483 336 T N 1.564 116.344 114.554 0.378 0.000 2.733 336 T HA 0.322 4.672 4.350 0.000 0.000 0.294 336 T C -0.244 174.424 174.700 -0.053 0.000 0.956 336 T CA -0.571 61.619 62.100 0.151 0.000 0.987 336 T CB 0.447 69.363 68.868 0.079 0.000 0.920 336 T HN 0.471 nan 8.240 nan 0.000 0.470 337 R N 2.418 122.673 120.500 -0.408 0.000 2.357 337 R HA 0.251 4.591 4.340 0.000 0.000 0.296 337 R C -0.749 175.283 176.300 -0.447 0.000 1.052 337 R CA -0.536 55.031 56.100 -0.888 0.000 0.988 337 R CB 0.520 29.895 30.300 -1.542 0.000 1.025 337 R HN 0.531 nan 8.270 nan 0.000 0.469 338 D N 1.968 122.152 120.400 -0.361 0.000 2.373 338 D HA 0.059 4.699 4.640 0.000 0.000 0.227 338 D C 0.946 177.164 176.300 -0.138 0.000 1.091 338 D CA -0.281 53.617 54.000 -0.170 0.000 0.840 338 D CB 1.492 42.244 40.800 -0.079 0.000 1.060 338 D HN 0.544 nan 8.370 nan 0.000 0.502 339 S N 3.041 118.684 115.700 -0.094 0.000 2.383 339 S HA -0.233 4.237 4.470 0.000 0.000 0.229 339 S C 2.056 176.720 174.600 0.106 0.000 1.030 339 S CA 0.838 59.030 58.200 -0.014 0.000 1.002 339 S CB -0.369 62.823 63.200 -0.013 0.000 0.829 339 S HN 0.482 nan 8.310 nan 0.000 0.467 340 A N 2.110 124.977 122.820 0.078 0.000 1.902 340 A HA -0.018 4.302 4.320 0.000 0.000 0.217 340 A C 2.541 180.270 177.584 0.241 0.000 1.181 340 A CA 2.089 54.195 52.037 0.114 0.000 0.623 340 A CB -0.995 18.040 19.000 0.058 0.000 0.818 340 A HN 0.856 nan 8.150 nan 0.000 0.443 341 S N -2.830 113.005 115.700 0.225 0.000 2.483 341 S HA 0.394 4.864 4.470 0.000 0.000 0.221 341 S C 1.496 176.318 174.600 0.371 0.000 1.030 341 S CA 1.167 59.562 58.200 0.324 0.000 0.925 341 S CB -0.050 63.289 63.200 0.230 0.000 0.795 341 S HN 1.950 nan 8.310 nan 0.000 0.511 342 G N 1.157 110.003 108.800 0.076 0.000 2.143 342 G HA2 -0.052 3.908 3.960 0.000 0.000 0.249 342 G HA3 -0.052 3.908 3.960 0.000 0.000 0.249 342 G C 0.167 174.993 174.900 -0.124 0.000 0.981 342 G CA 0.040 44.959 45.100 -0.301 0.000 0.665 342 G HN 1.255 nan 8.290 nan 0.000 0.528 343 A N -0.833 122.051 122.820 0.107 0.000 2.303 343 A HA 0.750 5.070 4.320 0.000 0.000 0.317 343 A C -0.380 177.227 177.584 0.038 0.000 1.149 343 A CA -0.446 51.760 52.037 0.282 0.000 0.822 343 A CB 0.736 19.973 19.000 0.395 0.000 1.131 343 A HN 0.665 nan 8.150 nan 0.000 0.493 344 W N 0.959 122.305 121.300 0.076 0.000 2.573 344 W HA 0.586 5.246 4.660 0.000 0.000 0.326 344 W C 0.359 176.933 176.519 0.091 0.000 1.049 344 W CA 0.003 57.383 57.345 0.058 0.000 1.220 344 W CB 1.968 31.442 29.460 0.024 0.000 1.373 344 W HN 0.875 nan 8.180 nan 0.000 0.507 345 S N 1.286 117.167 115.700 0.302 0.000 2.632 345 S HA 0.804 5.274 4.470 0.000 0.000 0.289 345 S C -1.859 172.959 174.600 0.363 0.000 1.115 345 S CA -0.819 57.546 58.200 0.274 0.000 0.889 345 S CB 2.178 65.450 63.200 0.121 0.000 1.116 345 S HN 0.555 nan 8.310 nan 0.000 0.486 346 W N 1.133 122.535 121.300 0.170 0.000 3.615 346 W HA 0.444 5.104 4.660 0.000 0.000 0.319 346 W C -1.508 175.102 176.519 0.152 0.000 1.172 346 W CA -0.159 57.254 57.345 0.113 0.000 1.240 346 W CB 1.529 31.014 29.460 0.042 0.000 1.313 346 W HN 0.939 nan 8.180 nan 0.000 0.487 347 Q N 3.984 123.432 119.800 -0.586 0.000 2.293 347 Q HA 0.725 5.066 4.340 0.000 0.000 0.261 347 Q C -0.152 175.319 176.000 -0.882 0.000 0.960 347 Q CA -0.306 55.222 55.803 -0.458 0.000 0.882 347 Q CB 1.730 30.273 28.738 -0.326 0.000 1.275 347 Q HN 0.725 nan 8.270 nan 0.000 0.445 348 G N 1.338 109.932 108.800 -0.344 0.000 2.975 348 G HA2 0.671 4.631 3.960 0.000 0.000 0.291 348 G HA3 0.671 4.631 3.960 0.000 0.000 0.291 348 G C -0.824 174.066 174.900 -0.017 0.000 1.334 348 G CA -0.449 44.531 45.100 -0.201 0.000 0.843 348 G HN 0.689 nan 8.290 nan 0.000 0.548 349 G N -1.023 107.810 108.800 0.054 0.000 2.528 349 G HA2 0.423 4.383 3.960 0.000 0.000 0.289 349 G HA3 0.423 4.383 3.960 0.000 0.000 0.289 349 G C 1.246 176.177 174.900 0.052 0.000 1.192 349 G CA 0.805 45.926 45.100 0.036 0.000 0.921 349 G HN 1.284 nan 8.290 nan 0.000 0.512 350 S N -0.519 115.193 115.700 0.021 0.000 2.547 350 S HA -0.121 4.350 4.470 0.000 0.000 0.235 350 S C 1.482 176.097 174.600 0.024 0.000 0.980 350 S CA 1.297 59.504 58.200 0.012 0.000 0.941 350 S CB -0.144 63.054 63.200 -0.004 0.000 0.763 350 S HN 0.728 nan 8.310 nan 0.000 0.532 351 D N 1.780 122.204 120.400 0.041 0.000 2.350 351 D HA -0.080 4.561 4.640 0.000 0.000 0.216 351 D C 1.526 177.860 176.300 0.056 0.000 0.968 351 D CA 0.389 54.415 54.000 0.043 0.000 0.894 351 D CB -0.374 40.456 40.800 0.050 0.000 0.909 351 D HN 0.458 nan 8.370 nan 0.000 0.520 352 L N 0.071 121.344 121.223 0.083 0.000 2.599 352 L HA 0.032 4.372 4.340 0.000 0.000 0.230 352 L C 1.351 178.252 176.870 0.053 0.000 1.141 352 L CA -0.162 54.744 54.840 0.110 0.000 0.877 352 L CB -0.308 41.885 42.059 0.223 0.000 1.009 352 L HN -0.084 nan 8.230 nan 0.000 0.447 353 K N 0.826 121.234 120.400 0.013 0.000 2.484 353 K HA 0.084 4.405 4.320 0.000 0.000 0.280 353 K C 1.169 177.742 176.600 -0.046 0.000 1.013 353 K CA 0.931 57.204 56.287 -0.022 0.000 1.029 353 K CB 0.327 32.813 32.500 -0.024 0.000 0.902 353 K HN 0.201 nan 8.250 nan 0.000 0.481 354 G N 1.996 110.746 108.800 -0.082 0.000 2.205 354 G HA2 -0.326 3.634 3.960 0.000 0.000 0.261 354 G HA3 -0.326 3.634 3.960 0.000 0.000 0.261 354 G C 0.191 174.913 174.900 -0.297 0.000 0.980 354 G CA 0.188 45.184 45.100 -0.174 0.000 0.632 354 G HN 0.981 nan 8.290 nan 0.000 0.533 355 A N -0.101 122.637 122.820 -0.136 0.000 2.445 355 A HA 0.662 4.982 4.320 0.000 0.000 0.242 355 A C 0.111 177.656 177.584 -0.065 0.000 1.075 355 A CA 0.033 52.020 52.037 -0.084 0.000 0.777 355 A CB 0.202 19.252 19.000 0.083 0.000 1.013 355 A HN 0.593 nan 8.150 nan 0.000 0.493 356 F N 0.809 120.875 119.950 0.193 0.000 2.371 356 F HA 0.554 5.081 4.527 0.000 0.000 0.329 356 F C 0.279 176.308 175.800 0.383 0.000 1.107 356 F CA 0.436 58.556 58.000 0.200 0.000 1.137 356 F CB 1.156 40.144 39.000 -0.021 0.000 1.214 356 F HN 0.680 nan 8.300 nan 0.000 0.536 357 Y N -0.527 120.003 120.300 0.384 0.000 2.656 357 Y HA 0.807 5.357 4.550 0.000 0.000 0.334 357 Y C -1.441 174.539 175.900 0.134 0.000 1.179 357 Y CA -1.706 56.549 58.100 0.259 0.000 1.050 357 Y CB 1.443 39.949 38.460 0.077 0.000 1.308 357 Y HN 0.554 nan 8.280 nan 0.000 0.456 358 R N 0.565 121.116 120.500 0.084 0.000 2.734 358 R HA 0.422 4.762 4.340 0.000 0.000 0.271 358 R C -2.218 174.025 176.300 -0.095 0.000 1.021 358 R CA -1.245 54.787 56.100 -0.114 0.000 0.893 358 R CB 2.268 32.566 30.300 -0.004 0.000 1.244 358 R HN 0.712 nan 8.270 nan 0.000 0.464 359 Y N 0.259 120.647 120.300 0.146 0.000 2.335 359 Y HA 0.438 4.988 4.550 0.000 0.000 0.339 359 Y C 0.304 176.241 175.900 0.062 0.000 0.987 359 Y CA -0.773 57.389 58.100 0.102 0.000 1.140 359 Y CB 1.880 40.405 38.460 0.108 0.000 1.173 359 Y HN 0.624 nan 8.280 nan 0.000 0.486 360 A N 6.075 128.995 122.820 0.167 0.000 2.310 360 A HA 0.572 4.892 4.320 0.000 0.000 0.300 360 A C -0.248 177.362 177.584 0.043 0.000 1.269 360 A CA -0.608 51.489 52.037 0.100 0.000 0.909 360 A CB -0.290 18.734 19.000 0.041 0.000 1.144 360 A HN 0.623 nan 8.150 nan 0.000 0.540 361 M N 1.890 121.548 119.600 0.096 0.000 2.363 361 M HA 0.411 4.891 4.480 0.000 0.000 0.343 361 M C -0.400 175.844 176.300 -0.094 0.000 1.165 361 M CA 0.003 55.308 55.300 0.008 0.000 1.046 361 M CB 1.074 33.783 32.600 0.181 0.000 1.648 361 M HN 0.473 nan 8.290 nan 0.000 0.452 362 T N 2.044 116.508 114.554 -0.150 0.000 2.991 362 T HA 0.576 4.926 4.350 0.000 0.000 0.347 362 T C -0.949 173.668 174.700 -0.140 0.000 1.122 362 T CA -0.536 61.471 62.100 -0.156 0.000 1.062 362 T CB 0.970 69.775 68.868 -0.105 0.000 1.043 362 T HN 0.574 nan 8.240 nan 0.000 0.491 363 V N 4.060 123.878 119.914 -0.159 0.000 2.932 363 V HA 0.581 4.701 4.120 0.000 0.000 0.307 363 V C -1.666 174.387 176.094 -0.069 0.000 1.147 363 V CA -1.134 61.113 62.300 -0.088 0.000 0.951 363 V CB 2.069 33.861 31.823 -0.052 0.000 1.031 363 V HN 0.792 nan 8.190 nan 0.000 0.426 364 Y N 6.031 126.250 120.300 -0.135 0.000 2.442 364 Y HA 0.445 4.995 4.550 0.000 0.000 0.330 364 Y C -0.154 175.673 175.900 -0.122 0.000 1.129 364 Y CA 0.233 58.257 58.100 -0.127 0.000 1.365 364 Y CB 0.406 38.783 38.460 -0.138 0.000 1.233 364 Y HN 0.807 nan 8.280 nan 0.000 0.529 365 H N 8.863 127.380 119.070 -0.921 0.000 2.638 365 H HA 0.295 4.851 4.556 0.000 0.000 0.317 365 H C -2.170 172.428 175.328 -1.216 0.000 1.006 365 H CA -2.572 53.007 56.048 -0.783 0.000 1.222 365 H CB 2.070 31.618 29.762 -0.356 0.000 1.419 365 H HN 0.509 nan 8.280 nan 0.000 0.489 366 P HA -0.205 nan 4.420 nan 0.000 0.217 366 P C 1.597 178.525 177.300 -0.621 0.000 1.148 366 P CA 1.300 63.727 63.100 -1.121 0.000 0.828 366 P CB 0.363 30.832 31.700 -2.051 0.000 0.783 367 Q N -0.025 119.616 119.800 -0.265 0.000 2.050 367 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 367 Q C 1.905 177.886 176.000 -0.032 0.000 0.980 367 Q CA 2.383 58.234 55.803 0.080 0.000 0.840 367 Q CB -0.303 28.562 28.738 0.211 0.000 0.898 367 Q HN 0.302 nan 8.270 nan 0.000 0.424 368 S N -1.148 114.470 115.700 -0.136 0.000 2.524 368 S HA 0.135 4.605 4.470 0.000 0.000 0.216 368 S C 0.475 175.012 174.600 -0.106 0.000 0.987 368 S CA 0.113 58.241 58.200 -0.121 0.000 0.909 368 S CB 0.161 63.268 63.200 -0.155 0.000 0.781 368 S HN 0.443 nan 8.310 nan 0.000 0.521 369 R N 0.921 121.306 120.500 -0.191 0.000 3.770 369 R HA -0.160 4.180 4.340 0.000 0.000 0.305 369 R C -0.481 175.875 176.300 0.094 0.000 1.184 369 R CA 1.374 57.463 56.100 -0.019 0.000 0.823 369 R CB -2.225 28.126 30.300 0.086 0.000 1.285 369 R HN 0.845 nan 8.270 nan 0.000 0.499 370 K N -1.459 118.891 120.400 -0.082 0.000 2.482 370 K HA 0.510 4.830 4.320 0.000 0.000 0.257 370 K C -0.280 176.308 176.600 -0.020 0.000 0.969 370 K CA -1.029 55.267 56.287 0.015 0.000 0.842 370 K CB 2.013 34.495 32.500 -0.031 0.000 1.359 370 K HN -0.092 nan 8.250 nan 0.000 0.441 371 V N 3.161 123.092 119.914 0.029 0.000 2.352 371 V HA 0.059 4.179 4.120 0.000 0.000 0.253 371 V C 0.122 176.132 176.094 -0.139 0.000 1.083 371 V CA -0.273 62.011 62.300 -0.026 0.000 0.993 371 V CB -0.132 31.675 31.823 -0.026 0.000 1.111 371 V HN 0.659 nan 8.190 nan 0.000 0.490 372 E N 3.520 123.572 120.200 -0.247 0.000 2.390 372 E HA 0.280 4.630 4.350 0.000 0.000 0.261 372 E C -0.220 176.036 176.600 -0.574 0.000 1.076 372 E CA -0.296 55.831 56.400 -0.456 0.000 0.905 372 E CB 1.292 30.574 29.700 -0.695 0.000 0.984 372 E HN 0.624 nan 8.360 nan 0.000 0.427 373 Q N 2.146 121.613 119.800 -0.555 0.000 2.303 373 Q HA 0.354 4.694 4.340 0.000 0.000 0.267 373 Q C -1.883 173.965 176.000 -0.252 0.000 1.011 373 Q CA -0.609 54.979 55.803 -0.359 0.000 0.740 373 Q CB 0.701 29.344 28.738 -0.159 0.000 1.250 373 Q HN 0.561 nan 8.270 nan 0.000 0.458 374 Y N -0.337 119.959 120.300 -0.007 0.000 2.641 374 Y HA 0.552 5.102 4.550 0.000 0.000 0.333 374 Y C -0.776 175.133 175.900 0.014 0.000 1.174 374 Y CA -1.356 56.744 58.100 0.001 0.000 1.057 374 Y CB 1.286 39.746 38.460 -0.001 0.000 1.322 374 Y HN 0.326 nan 8.280 nan 0.000 0.457 375 E N 1.971 122.306 120.200 0.225 0.000 2.197 375 E HA 0.573 4.923 4.350 0.000 0.000 0.281 375 E C -1.237 175.388 176.600 0.040 0.000 0.995 375 E CA -0.924 55.554 56.400 0.131 0.000 0.808 375 E CB 2.475 32.229 29.700 0.089 0.000 1.093 375 E HN 0.444 nan 8.360 nan 0.000 0.394 376 V N 2.023 121.977 119.914 0.066 0.000 2.876 376 V HA 0.280 4.400 4.120 0.000 0.000 0.312 376 V C 0.380 176.508 176.094 0.056 0.000 1.085 376 V CA -1.088 61.227 62.300 0.026 0.000 0.945 376 V CB 1.906 33.752 31.823 0.038 0.000 1.017 376 V HN 0.857 nan 8.190 nan 0.000 0.428 377 T N -0.647 113.918 114.554 0.018 0.000 2.766 377 T HA 0.196 4.546 4.350 0.000 0.000 0.295 377 T C -0.120 174.677 174.700 0.162 0.000 1.024 377 T CA -0.443 61.642 62.100 -0.025 0.000 1.018 377 T CB 0.725 69.582 68.868 -0.018 0.000 1.002 377 T HN 0.676 nan 8.240 nan 0.000 0.532 378 D N 1.914 122.380 120.400 0.111 0.000 2.348 378 D HA 0.179 4.819 4.640 0.000 0.000 0.253 378 D C -1.071 175.467 176.300 0.396 0.000 1.161 378 D CA -2.258 51.992 54.000 0.418 0.000 0.876 378 D CB 1.416 42.488 40.800 0.453 0.000 1.160 378 D HN 0.270 nan 8.370 nan 0.000 0.459 379 P HA -0.130 nan 4.420 nan 0.000 0.226 379 P C 0.591 178.099 177.300 0.346 0.000 1.153 379 P CA 0.854 64.160 63.100 0.344 0.000 0.777 379 P CB 0.077 31.950 31.700 0.288 0.000 0.794 380 Y N -0.061 120.379 120.300 0.234 0.000 2.625 380 Y HA 0.411 4.961 4.550 0.000 0.000 0.285 380 Y C 1.273 177.116 175.900 -0.095 0.000 1.168 380 Y CA -0.809 57.359 58.100 0.114 0.000 1.250 380 Y CB -0.167 38.374 38.460 0.136 0.000 1.130 380 Y HN -0.096 nan 8.280 nan 0.000 0.526 381 A N -0.301 122.610 122.820 0.153 0.000 2.531 381 A HA -0.027 4.293 4.320 0.000 0.000 0.236 381 A C 0.191 177.796 177.584 0.036 0.000 1.062 381 A CA 0.512 52.570 52.037 0.034 0.000 0.760 381 A CB 0.035 18.977 19.000 -0.097 0.000 0.995 381 A HN 0.747 nan 8.150 nan 0.000 0.501 382 H N 0.133 119.247 119.070 0.072 0.000 3.058 382 H HA 0.357 4.913 4.556 0.000 0.000 0.266 382 H C 0.111 175.430 175.328 -0.015 0.000 1.135 382 H CA 0.524 56.578 56.048 0.011 0.000 1.174 382 H CB 0.778 30.552 29.762 0.021 0.000 1.581 382 H HN 0.591 nan 8.280 nan 0.000 0.553 383 S N 0.638 116.390 115.700 0.086 0.000 2.547 383 S HA 0.604 5.074 4.470 0.000 0.000 0.270 383 S C -1.868 172.722 174.600 -0.017 0.000 1.150 383 S CA -0.636 57.586 58.200 0.035 0.000 0.850 383 S CB 1.194 64.422 63.200 0.047 0.000 1.118 383 S HN 0.174 nan 8.310 nan 0.000 0.461 384 L N 2.107 123.324 121.223 -0.010 0.000 2.479 384 L HA 0.621 4.961 4.340 0.000 0.000 0.255 384 L C 0.114 177.037 176.870 0.088 0.000 1.026 384 L CA -0.917 53.898 54.840 -0.041 0.000 0.842 384 L CB 2.366 44.280 42.059 -0.241 0.000 1.444 384 L HN 0.774 nan 8.230 nan 0.000 0.409 385 S N -1.374 114.351 115.700 0.042 0.000 2.686 385 S HA 0.388 4.858 4.470 0.000 0.000 0.270 385 S C -0.020 174.475 174.600 -0.174 0.000 1.194 385 S CA -0.617 57.525 58.200 -0.098 0.000 0.990 385 S CB 1.019 63.944 63.200 -0.459 0.000 1.029 385 S HN 0.539 nan 8.310 nan 0.000 0.560 386 T N 2.676 117.072 114.554 -0.262 0.000 2.908 386 T HA 0.138 4.488 4.350 0.000 0.000 0.301 386 T C 0.853 175.224 174.700 -0.547 0.000 1.019 386 T CA 0.880 62.703 62.100 -0.463 0.000 1.152 386 T CB -0.829 67.604 68.868 -0.725 0.000 0.966 386 T HN 0.825 nan 8.240 nan 0.000 0.540 387 N N 1.335 119.773 118.700 -0.437 0.000 2.782 387 N HA -0.292 4.448 4.740 0.000 0.000 0.251 387 N C 0.087 175.555 175.510 -0.071 0.000 1.101 387 N CA 0.506 53.426 53.050 -0.216 0.000 0.764 387 N CB -0.896 37.486 38.487 -0.175 0.000 1.122 387 N HN 0.818 nan 8.380 nan 0.000 0.561 388 S N -1.930 113.651 115.700 -0.198 0.000 3.476 388 S HA -0.223 4.247 4.470 0.000 0.000 0.309 388 S C 0.806 175.232 174.600 -0.290 0.000 1.222 388 S CA 1.383 59.370 58.200 -0.354 0.000 0.922 388 S CB -1.287 61.491 63.200 -0.704 0.000 1.023 388 S HN 0.669 nan 8.310 nan 0.000 0.591 389 E N -0.695 119.410 120.200 -0.159 0.000 2.150 389 E HA -0.052 4.298 4.350 0.000 0.000 0.193 389 E C -0.048 176.206 176.600 -0.577 0.000 0.985 389 E CA 1.050 57.293 56.400 -0.262 0.000 0.814 389 E CB 0.105 29.718 29.700 -0.145 0.000 0.752 389 E HN 0.760 nan 8.360 nan 0.000 0.466 390 Y N -0.338 119.782 120.300 -0.300 0.000 2.524 390 Y HA 0.222 4.772 4.550 0.000 0.000 0.347 390 Y C 0.142 175.882 175.900 -0.267 0.000 1.005 390 Y CA -1.236 56.681 58.100 -0.304 0.000 1.025 390 Y CB 1.747 40.000 38.460 -0.345 0.000 1.275 390 Y HN -0.184 nan 8.280 nan 0.000 0.460 391 S N 1.330 116.871 115.700 -0.265 0.000 2.669 391 S HA 0.578 5.048 4.470 0.000 0.000 0.270 391 S C -0.788 173.729 174.600 -0.138 0.000 1.225 391 S CA -0.928 57.037 58.200 -0.392 0.000 0.991 391 S CB 1.901 64.644 63.200 -0.761 0.000 0.987 391 S HN 0.687 nan 8.310 nan 0.000 0.552 392 Q N 0.087 119.915 119.800 0.047 0.000 2.345 392 Q HA 0.477 4.817 4.340 0.000 0.000 0.275 392 Q C -1.827 174.343 176.000 0.284 0.000 1.063 392 Q CA -0.806 55.101 55.803 0.173 0.000 0.819 392 Q CB 1.976 30.692 28.738 -0.036 0.000 1.356 392 Q HN 0.628 nan 8.270 nan 0.000 0.418 393 V N 3.399 123.454 119.914 0.235 0.000 2.470 393 V HA 0.346 4.466 4.120 0.000 0.000 0.276 393 V C -0.104 175.991 176.094 0.001 0.000 1.040 393 V CA -0.059 62.286 62.300 0.075 0.000 1.008 393 V CB 0.820 32.631 31.823 -0.019 0.000 0.990 393 V HN 0.540 nan 8.190 nan 0.000 0.477 394 V N 4.115 124.035 119.914 0.009 0.000 3.087 394 V HA 0.570 4.690 4.120 0.000 0.000 0.306 394 V C -1.599 174.493 176.094 -0.004 0.000 1.187 394 V CA -0.626 61.671 62.300 -0.004 0.000 0.999 394 V CB 2.597 34.428 31.823 0.013 0.000 1.049 394 V HN 0.918 nan 8.190 nan 0.000 0.431 395 D N 4.492 124.875 120.400 -0.029 0.000 2.460 395 D HA 0.337 4.977 4.640 0.000 0.000 0.232 395 D C 1.008 177.272 176.300 -0.060 0.000 1.079 395 D CA -0.268 53.712 54.000 -0.034 0.000 0.864 395 D CB 1.370 42.147 40.800 -0.037 0.000 1.048 395 D HN 0.532 nan 8.370 nan 0.000 0.523 396 L N 3.012 124.184 121.223 -0.085 0.000 2.447 396 L HA -0.141 4.199 4.340 0.000 0.000 0.225 396 L C 1.257 178.038 176.870 -0.147 0.000 1.148 396 L CA 0.751 55.492 54.840 -0.164 0.000 0.808 396 L CB -0.327 41.572 42.059 -0.265 0.000 0.928 396 L HN 0.317 nan 8.230 nan 0.000 0.448 397 N N -1.088 117.562 118.700 -0.084 0.000 2.494 397 N HA -0.082 4.658 4.740 0.000 0.000 0.182 397 N C 0.522 176.007 175.510 -0.041 0.000 1.076 397 N CA 0.088 53.110 53.050 -0.047 0.000 0.908 397 N CB -0.032 38.442 38.487 -0.022 0.000 0.967 397 N HN 0.194 nan 8.380 nan 0.000 0.449 398 D N 0.554 120.921 120.400 -0.055 0.000 2.531 398 D HA -0.065 4.575 4.640 0.000 0.000 0.239 398 D C 0.967 177.240 176.300 -0.046 0.000 1.144 398 D CA 0.200 54.173 54.000 -0.045 0.000 0.869 398 D CB 0.703 41.473 40.800 -0.051 0.000 1.160 398 D HN 0.270 nan 8.370 nan 0.000 0.484 399 S N 3.067 118.753 115.700 -0.022 0.000 2.419 399 S HA -0.145 4.325 4.470 0.000 0.000 0.233 399 S C 1.838 176.424 174.600 -0.025 0.000 1.016 399 S CA 0.759 58.952 58.200 -0.011 0.000 0.974 399 S CB -0.009 63.195 63.200 0.007 0.000 0.786 399 S HN 0.511 nan 8.310 nan 0.000 0.492 400 A N 1.142 123.944 122.820 -0.030 0.000 2.168 400 A HA 0.360 4.680 4.320 0.000 0.000 0.215 400 A C 1.845 179.399 177.584 -0.050 0.000 1.152 400 A CA 0.586 52.605 52.037 -0.030 0.000 0.716 400 A CB -0.520 18.466 19.000 -0.024 0.000 0.794 400 A HN 0.587 nan 8.150 nan 0.000 0.465 401 L N -1.100 120.075 121.223 -0.081 0.000 2.700 401 L HA 0.219 4.559 4.340 0.000 0.000 0.234 401 L C -0.195 176.551 176.870 -0.206 0.000 1.156 401 L CA 0.077 54.845 54.840 -0.120 0.000 0.946 401 L CB 0.007 41.987 42.059 -0.132 0.000 1.216 401 L HN 0.155 nan 8.230 nan 0.000 0.493 402 K N 1.062 121.359 120.400 -0.172 0.000 2.371 402 K HA 0.474 4.794 4.320 0.000 0.000 0.251 402 K C -2.543 174.014 176.600 -0.072 0.000 0.934 402 K CA -1.782 54.364 56.287 -0.235 0.000 0.798 402 K CB 2.274 34.689 32.500 -0.142 0.000 1.204 402 K HN -0.256 nan 8.250 nan 0.000 0.427 403 P HA 0.047 nan 4.420 nan 0.000 0.276 403 P C -0.704 176.672 177.300 0.126 0.000 1.252 403 P CA -0.376 62.761 63.100 0.063 0.000 0.802 403 P CB 0.659 32.420 31.700 0.101 0.000 1.035 404 E N 0.669 120.924 120.200 0.091 0.000 2.558 404 E HA 0.218 4.568 4.350 0.000 0.000 0.255 404 E C 1.316 177.983 176.600 0.111 0.000 0.968 404 E CA 1.624 58.076 56.400 0.086 0.000 0.939 404 E CB -1.000 28.734 29.700 0.055 0.000 0.921 404 E HN 0.766 nan 8.360 nan 0.000 0.477 405 G N 4.988 113.853 108.800 0.108 0.000 2.162 405 G HA2 -0.305 3.655 3.960 0.000 0.000 0.260 405 G HA3 -0.305 3.655 3.960 0.000 0.000 0.260 405 G C 0.845 175.814 174.900 0.115 0.000 0.976 405 G CA 0.352 45.505 45.100 0.087 0.000 0.655 405 G HN 0.705 nan 8.290 nan 0.000 0.533 406 W N 1.142 122.443 121.300 0.002 0.000 2.318 406 W HA -0.165 4.495 4.660 0.000 0.000 0.313 406 W C 1.480 178.001 176.519 0.004 0.000 1.221 406 W CA 2.155 59.503 57.345 0.005 0.000 1.266 406 W CB -0.226 29.236 29.460 0.003 0.000 1.150 406 W HN 0.352 nan 8.180 nan 0.000 0.496 407 D N -0.199 120.215 120.400 0.022 0.000 2.265 407 D HA -0.110 4.530 4.640 0.000 0.000 0.208 407 D C 2.101 178.306 176.300 -0.158 0.000 0.977 407 D CA 1.759 55.705 54.000 -0.089 0.000 0.871 407 D CB -0.840 39.982 40.800 0.037 0.000 0.925 407 D HN 0.314 nan 8.370 nan 0.000 0.485 408 G N 0.045 108.768 108.800 -0.127 0.000 3.088 408 G HA2 0.081 4.041 3.960 0.000 0.000 0.217 408 G HA3 0.081 4.041 3.960 0.000 0.000 0.217 408 G C 0.488 175.293 174.900 -0.160 0.000 1.159 408 G CA -0.376 44.656 45.100 -0.115 0.000 0.760 408 G HN 0.127 nan 8.290 nan 0.000 0.550 409 L N 3.352 124.413 121.223 -0.269 0.000 2.513 409 L HA 0.385 4.725 4.340 0.000 0.000 0.272 409 L C 0.761 177.492 176.870 -0.232 0.000 1.187 409 L CA 0.119 54.789 54.840 -0.282 0.000 0.895 409 L CB 0.344 42.108 42.059 -0.490 0.000 1.147 409 L HN 0.129 nan 8.230 nan 0.000 0.483 410 T N 2.395 116.857 114.554 -0.152 0.000 2.940 410 T HA 0.557 4.907 4.350 0.000 0.000 0.288 410 T C 0.157 174.800 174.700 -0.095 0.000 1.045 410 T CA -1.077 60.955 62.100 -0.113 0.000 1.018 410 T CB 0.941 69.758 68.868 -0.085 0.000 1.151 410 T HN 0.537 nan 8.240 nan 0.000 0.529 411 M N 2.857 122.417 119.600 -0.066 0.000 2.188 411 M HA 0.210 4.690 4.480 0.000 0.000 0.354 411 M C -1.217 175.039 176.300 -0.073 0.000 1.342 411 M CA -1.935 53.336 55.300 -0.049 0.000 1.117 411 M CB 1.143 33.738 32.600 -0.008 0.000 1.670 411 M HN 0.590 nan 8.290 nan 0.000 0.466 412 P HA -0.052 nan 4.420 nan 0.000 0.225 412 P C -0.450 176.615 177.300 -0.392 0.000 1.156 412 P CA 1.298 64.274 63.100 -0.207 0.000 0.787 412 P CB 0.194 31.788 31.700 -0.177 0.000 0.802 413 H N -0.481 118.541 119.070 -0.080 0.000 2.589 413 H HA 0.583 5.139 4.556 0.000 0.000 0.351 413 H C -0.170 175.155 175.328 -0.005 0.000 1.074 413 H CA -0.693 55.329 56.048 -0.043 0.000 1.203 413 H CB 1.519 31.251 29.762 -0.051 0.000 1.558 413 H HN -0.002 nan 8.280 nan 0.000 0.522 414 A N 2.140 125.024 122.820 0.106 0.000 2.407 414 A HA 0.223 4.544 4.320 0.000 0.000 0.248 414 A C 0.208 177.857 177.584 0.107 0.000 1.082 414 A CA -0.257 51.828 52.037 0.081 0.000 0.785 414 A CB 0.343 19.372 19.000 0.048 0.000 1.020 414 A HN 0.949 nan 8.150 nan 0.000 0.489 415 Q N 0.438 120.297 119.800 0.098 0.000 2.038 415 Q HA 0.115 4.455 4.340 0.000 0.000 0.240 415 Q C 0.963 177.023 176.000 0.100 0.000 0.831 415 Q CA -0.144 55.718 55.803 0.098 0.000 1.068 415 Q CB 0.656 29.487 28.738 0.154 0.000 1.241 415 Q HN 0.881 nan 8.270 nan 0.000 0.435 416 K N 0.979 121.425 120.400 0.076 0.000 2.005 416 K HA -0.002 4.318 4.320 0.000 0.000 0.206 416 K C 1.068 177.708 176.600 0.067 0.000 1.044 416 K CA 1.550 57.879 56.287 0.070 0.000 0.942 416 K CB 0.231 32.759 32.500 0.046 0.000 0.727 416 K HN 0.229 nan 8.250 nan 0.000 0.439 417 T N -1.468 113.115 114.554 0.049 0.000 2.881 417 T HA 0.225 4.575 4.350 0.000 0.000 0.278 417 T C 0.774 175.497 174.700 0.038 0.000 0.982 417 T CA -0.671 61.455 62.100 0.044 0.000 0.989 417 T CB 1.440 70.326 68.868 0.030 0.000 1.058 417 T HN 0.097 nan 8.240 nan 0.000 0.529 418 K N 0.337 120.760 120.400 0.039 0.000 2.148 418 K HA -0.010 4.310 4.320 0.000 0.000 0.204 418 K C 2.560 179.159 176.600 -0.002 0.000 1.050 418 K CA 1.130 57.432 56.287 0.024 0.000 0.942 418 K CB -0.536 31.985 32.500 0.035 0.000 0.724 418 K HN 0.709 nan 8.250 nan 0.000 0.446 419 A N 1.975 124.798 122.820 0.006 0.000 1.933 419 A HA -0.208 4.112 4.320 0.000 0.000 0.218 419 A C 1.579 179.161 177.584 -0.002 0.000 1.175 419 A CA 1.820 53.858 52.037 0.001 0.000 0.628 419 A CB -0.339 18.665 19.000 0.008 0.000 0.814 419 A HN 0.173 nan 8.150 nan 0.000 0.444 420 D N 0.223 120.626 120.400 0.005 0.000 2.084 420 D HA -0.120 4.520 4.640 0.000 0.000 0.194 420 D C 1.991 178.277 176.300 -0.023 0.000 0.990 420 D CA 1.133 55.140 54.000 0.013 0.000 0.826 420 D CB -0.446 40.372 40.800 0.031 0.000 0.971 420 D HN 0.440 nan 8.370 nan 0.000 0.453 421 L N 0.815 121.998 121.223 -0.067 0.000 2.079 421 L HA -0.169 4.171 4.340 0.000 0.000 0.210 421 L C 2.515 179.252 176.870 -0.221 0.000 1.081 421 L CA 1.104 55.826 54.840 -0.197 0.000 0.752 421 L CB -0.481 41.425 42.059 -0.255 0.000 0.896 421 L HN -0.019 nan 8.230 nan 0.000 0.433 422 A N -0.193 122.549 122.820 -0.131 0.000 2.024 422 A HA -0.191 4.129 4.320 0.000 0.000 0.220 422 A C 2.194 179.721 177.584 -0.096 0.000 1.164 422 A CA 1.390 53.362 52.037 -0.110 0.000 0.643 422 A CB -0.318 18.650 19.000 -0.053 0.000 0.806 422 A HN 0.335 nan 8.150 nan 0.000 0.451 423 K N -0.958 119.400 120.400 -0.070 0.000 2.486 423 K HA 0.071 4.391 4.320 0.000 0.000 0.194 423 K C 0.689 177.232 176.600 -0.094 0.000 1.033 423 K CA -0.045 56.215 56.287 -0.045 0.000 1.004 423 K CB -0.258 32.250 32.500 0.013 0.000 0.798 423 K HN 0.615 nan 8.250 nan 0.000 0.495 424 M N 2.113 121.604 119.600 -0.182 0.000 2.338 424 M HA -0.064 4.416 4.480 0.000 0.000 0.360 424 M C -0.942 175.218 176.300 -0.234 0.000 1.547 424 M CA 1.198 56.304 55.300 -0.322 0.000 1.001 424 M CB 0.236 32.479 32.600 -0.595 0.000 2.008 424 M HN -0.130 nan 8.290 nan 0.000 0.464 425 T N 7.333 121.791 114.554 -0.159 0.000 2.963 425 T HA 0.489 4.839 4.350 0.000 0.000 0.328 425 T C -0.358 174.325 174.700 -0.028 0.000 1.048 425 T CA -0.517 61.534 62.100 -0.082 0.000 1.033 425 T CB 0.291 69.117 68.868 -0.070 0.000 1.010 425 T HN 0.566 nan 8.240 nan 0.000 0.469 426 I N 2.468 123.021 120.570 -0.027 0.000 2.396 426 I HA 0.336 4.506 4.170 0.000 0.000 0.292 426 I C 0.129 176.211 176.117 -0.059 0.000 0.999 426 I CA -0.718 60.575 61.300 -0.011 0.000 1.310 426 I CB 0.820 38.832 38.000 0.020 0.000 1.404 426 I HN 0.578 nan 8.210 nan 0.000 0.496 427 H N 5.067 124.070 119.070 -0.113 0.000 2.725 427 H HA 0.201 4.757 4.556 0.000 0.000 0.283 427 H C -0.525 174.722 175.328 -0.135 0.000 1.110 427 H CA -0.473 55.508 56.048 -0.112 0.000 1.289 427 H CB 0.740 30.493 29.762 -0.016 0.000 1.400 427 H HN 0.510 nan 8.280 nan 0.000 0.493 428 E N 3.981 123.935 120.200 -0.410 0.000 2.104 428 E HA 0.180 4.530 4.350 0.000 0.000 0.278 428 E C -0.666 175.842 176.600 -0.153 0.000 1.127 428 E CA -0.016 56.247 56.400 -0.227 0.000 0.897 428 E CB 0.345 29.919 29.700 -0.210 0.000 1.043 428 E HN 0.591 nan 8.360 nan 0.000 0.410 429 S N 3.263 118.931 115.700 -0.053 0.000 2.648 429 S HA 0.405 4.875 4.470 0.000 0.000 0.305 429 S C -0.966 173.649 174.600 0.025 0.000 1.094 429 S CA -0.784 57.416 58.200 0.000 0.000 0.983 429 S CB 1.442 64.669 63.200 0.045 0.000 1.101 429 S HN 0.629 nan 8.310 nan 0.000 0.514 430 H N 0.249 119.292 119.070 -0.044 0.000 2.637 430 H HA 0.482 5.038 4.556 0.000 0.000 0.363 430 H C 0.755 176.005 175.328 -0.131 0.000 1.131 430 H CA -0.826 55.170 56.048 -0.087 0.000 1.183 430 H CB 0.397 30.167 29.762 0.014 0.000 1.637 430 H HN 0.402 nan 8.280 nan 0.000 0.531 431 I N 3.093 123.203 120.570 -0.767 0.000 2.194 431 I HA -0.232 3.938 4.170 0.000 0.000 0.246 431 I C 2.170 178.106 176.117 -0.300 0.000 1.093 431 I CA 1.397 62.286 61.300 -0.685 0.000 1.355 431 I CB -0.688 36.438 38.000 -1.456 0.000 1.046 431 I HN 0.729 nan 8.210 nan 0.000 0.413 432 R N 0.264 120.727 120.500 -0.061 0.000 2.093 432 R HA -0.101 4.239 4.340 0.000 0.000 0.224 432 R C 1.848 178.387 176.300 0.398 0.000 1.101 432 R CA 0.970 57.225 56.100 0.260 0.000 0.979 432 R CB -0.194 30.347 30.300 0.402 0.000 0.877 432 R HN 0.322 nan 8.270 nan 0.000 0.441 433 D N 1.056 121.787 120.400 0.551 0.000 2.190 433 D HA -0.165 4.475 4.640 0.000 0.000 0.200 433 D C 1.889 178.387 176.300 0.329 0.000 0.992 433 D CA 1.049 55.294 54.000 0.408 0.000 0.854 433 D CB -0.090 40.920 40.800 0.350 0.000 0.936 433 D HN 0.177 nan 8.370 nan 0.000 0.462 434 L N 0.188 121.569 121.223 0.262 0.000 2.023 434 L HA -0.111 4.229 4.340 0.000 0.000 0.205 434 L C 2.081 179.091 176.870 0.234 0.000 1.073 434 L CA 1.546 56.530 54.840 0.240 0.000 0.745 434 L CB -0.170 41.935 42.059 0.077 0.000 0.900 434 L HN 0.073 nan 8.230 nan 0.000 0.435 435 S N -1.969 113.825 115.700 0.157 0.000 2.666 435 S HA 0.274 4.744 4.470 0.000 0.000 0.239 435 S C 1.681 176.362 174.600 0.135 0.000 1.031 435 S CA 0.143 58.419 58.200 0.128 0.000 1.015 435 S CB 0.576 63.799 63.200 0.038 0.000 0.981 435 S HN 0.185 nan 8.310 nan 0.000 0.547 436 A N 1.073 123.996 122.820 0.173 0.000 1.978 436 A HA 0.013 4.333 4.320 0.000 0.000 0.220 436 A C 1.501 179.047 177.584 -0.062 0.000 1.170 436 A CA 1.185 53.258 52.037 0.060 0.000 0.636 436 A CB -0.910 18.154 19.000 0.106 0.000 0.810 436 A HN 0.773 nan 8.150 nan 0.000 0.448 437 W N -0.687 120.642 121.300 0.048 0.000 3.220 437 W HA 0.270 4.930 4.660 0.000 0.000 0.328 437 W C -0.033 176.499 176.519 0.021 0.000 1.205 437 W CA -0.444 56.908 57.345 0.011 0.000 1.773 437 W CB 0.423 29.860 29.460 -0.039 0.000 1.086 437 W HN 0.114 nan 8.180 nan 0.000 0.622 438 D N 0.976 121.516 120.400 0.233 0.000 2.359 438 D HA -0.006 4.634 4.640 0.000 0.000 0.250 438 D C 1.375 177.729 176.300 0.091 0.000 1.264 438 D CA 0.384 54.482 54.000 0.165 0.000 0.911 438 D CB 0.967 41.855 40.800 0.146 0.000 1.056 438 D HN -0.032 nan 8.370 nan 0.000 0.499 439 Q N 1.586 121.435 119.800 0.081 0.000 2.437 439 Q HA -0.072 4.268 4.340 0.000 0.000 0.210 439 Q C 1.625 177.644 176.000 0.032 0.000 0.972 439 Q CA 0.837 56.667 55.803 0.046 0.000 0.903 439 Q CB -0.281 28.484 28.738 0.045 0.000 0.967 439 Q HN 0.608 nan 8.270 nan 0.000 0.486 440 T N -3.734 110.842 114.554 0.036 0.000 3.107 440 T HA 0.193 4.543 4.350 0.000 0.000 0.249 440 T C 0.750 175.457 174.700 0.013 0.000 1.096 440 T CA -0.212 61.901 62.100 0.021 0.000 1.012 440 T CB 0.180 69.060 68.868 0.020 0.000 0.977 440 T HN -0.143 nan 8.240 nan 0.000 0.527 441 V N 3.534 123.457 119.914 0.016 0.000 2.439 441 V HA 0.361 4.481 4.120 0.000 0.000 0.282 441 V C -2.284 173.813 176.094 0.006 0.000 1.039 441 V CA -2.359 59.944 62.300 0.006 0.000 0.913 441 V CB 1.372 33.200 31.823 0.009 0.000 0.983 441 V HN 0.197 nan 8.190 nan 0.000 0.460 442 P HA -0.004 nan 4.420 nan 0.000 0.261 442 P C 0.629 177.928 177.300 -0.001 0.000 1.173 442 P CA 0.406 63.507 63.100 0.001 0.000 0.760 442 P CB 0.636 32.338 31.700 0.002 0.000 0.783 443 A N 5.151 127.968 122.820 -0.004 0.000 1.927 443 A HA -0.249 4.071 4.320 0.000 0.000 0.220 443 A C 1.817 179.394 177.584 -0.011 0.000 1.185 443 A CA 1.902 53.933 52.037 -0.010 0.000 0.639 443 A CB -0.969 18.024 19.000 -0.012 0.000 0.820 443 A HN 0.673 nan 8.150 nan 0.000 0.451 444 E N 0.354 120.550 120.200 -0.006 0.000 2.409 444 E HA -0.090 4.260 4.350 0.000 0.000 0.198 444 E C 1.385 177.984 176.600 -0.002 0.000 1.024 444 E CA 0.958 57.355 56.400 -0.004 0.000 0.861 444 E CB -0.388 29.312 29.700 0.001 0.000 0.788 444 E HN 0.676 nan 8.360 nan 0.000 0.521 445 L N 0.206 121.428 121.223 -0.002 0.000 2.693 445 L HA 0.261 4.601 4.340 0.000 0.000 0.235 445 L C 0.875 177.739 176.870 -0.009 0.000 1.127 445 L CA -0.396 54.443 54.840 -0.002 0.000 0.914 445 L CB 0.172 42.232 42.059 0.002 0.000 1.193 445 L HN -0.162 nan 8.230 nan 0.000 0.502 446 R N 0.949 121.444 120.500 -0.009 0.000 2.484 446 R HA 0.244 4.584 4.340 0.000 0.000 0.293 446 R C 1.141 177.436 176.300 -0.008 0.000 1.023 446 R CA 0.793 56.889 56.100 -0.007 0.000 1.037 446 R CB 0.201 30.492 30.300 -0.016 0.000 0.951 446 R HN 0.277 nan 8.270 nan 0.000 0.418 447 G N 1.941 110.738 108.800 -0.005 0.000 2.143 447 G HA2 -0.251 3.709 3.960 0.000 0.000 0.248 447 G HA3 -0.251 3.709 3.960 0.000 0.000 0.248 447 G C -0.176 174.691 174.900 -0.055 0.000 0.991 447 G CA 0.057 45.154 45.100 -0.005 0.000 0.689 447 G HN 0.425 nan 8.290 nan 0.000 0.522 448 K N -1.192 119.155 120.400 -0.088 0.000 2.281 448 K HA 0.581 4.901 4.320 0.000 0.000 0.242 448 K C 0.845 177.368 176.600 -0.128 0.000 0.971 448 K CA -1.104 55.106 56.287 -0.129 0.000 0.834 448 K CB 0.795 33.269 32.500 -0.044 0.000 1.181 448 K HN -0.045 nan 8.250 nan 0.000 0.435 449 Y N 0.611 120.891 120.300 -0.033 0.000 2.165 449 Y HA -0.148 4.402 4.550 0.000 0.000 0.286 449 Y C 2.037 177.893 175.900 -0.074 0.000 1.155 449 Y CA 1.240 59.288 58.100 -0.086 0.000 1.164 449 Y CB -0.718 37.724 38.460 -0.031 0.000 0.978 449 Y HN 0.363 nan 8.280 nan 0.000 0.513 450 L N -0.609 120.694 121.223 0.133 0.000 2.450 450 L HA -0.165 4.175 4.340 0.000 0.000 0.224 450 L C 2.481 179.364 176.870 0.022 0.000 1.149 450 L CA 0.616 55.496 54.840 0.066 0.000 0.816 450 L CB -0.757 41.340 42.059 0.064 0.000 0.932 450 L HN 0.234 nan 8.230 nan 0.000 0.449 451 A N 0.103 122.925 122.820 0.004 0.000 1.978 451 A HA -0.164 4.156 4.320 0.000 0.000 0.220 451 A C 2.077 179.645 177.584 -0.026 0.000 1.170 451 A CA 1.090 53.118 52.037 -0.015 0.000 0.636 451 A CB -0.374 18.610 19.000 -0.028 0.000 0.810 451 A HN 0.292 nan 8.150 nan 0.000 0.448 452 L N 0.573 121.780 121.223 -0.026 0.000 2.450 452 L HA -0.104 4.236 4.340 0.000 0.000 0.224 452 L C 2.506 179.360 176.870 -0.027 0.000 1.149 452 L CA 2.230 57.048 54.840 -0.038 0.000 0.816 452 L CB -1.732 40.301 42.059 -0.043 0.000 0.932 452 L HN 0.717 nan 8.230 nan 0.000 0.449 453 T N -3.936 110.610 114.554 -0.013 0.000 3.081 453 T HA 0.213 4.563 4.350 0.000 0.000 0.250 453 T C 1.054 175.748 174.700 -0.010 0.000 1.100 453 T CA 0.313 62.409 62.100 -0.006 0.000 1.038 453 T CB 0.000 68.873 68.868 0.007 0.000 0.962 453 T HN 0.186 nan 8.240 nan 0.000 0.516 454 A N 1.949 124.759 122.820 -0.015 0.000 2.990 454 A HA 0.299 4.619 4.320 0.000 0.000 0.282 454 A C 1.493 179.063 177.584 -0.023 0.000 1.688 454 A CA -0.555 51.472 52.037 -0.016 0.000 1.391 454 A CB -0.455 18.535 19.000 -0.016 0.000 1.112 454 A HN 0.572 nan 8.150 nan 0.000 0.588 455 Q N 0.945 120.733 119.800 -0.019 0.000 2.297 455 Q HA -0.214 4.126 4.340 0.000 0.000 0.208 455 Q C 1.698 177.685 176.000 -0.021 0.000 0.981 455 Q CA 1.588 57.377 55.803 -0.022 0.000 0.876 455 Q CB 0.061 28.789 28.738 -0.017 0.000 0.921 455 Q HN 0.977 nan 8.270 nan 0.000 0.446 456 E N 0.973 121.164 120.200 -0.016 0.000 2.358 456 E HA -0.058 4.292 4.350 0.000 0.000 0.195 456 E C 0.622 177.214 176.600 -0.012 0.000 1.010 456 E CA 0.493 56.886 56.400 -0.012 0.000 0.856 456 E CB -0.006 29.690 29.700 -0.007 0.000 0.795 456 E HN 0.150 nan 8.360 nan 0.000 0.504 457 S N 0.457 116.145 115.700 -0.019 0.000 2.585 457 S HA 0.123 4.593 4.470 0.000 0.000 0.273 457 S C 0.724 175.307 174.600 -0.030 0.000 1.339 457 S CA -0.102 58.085 58.200 -0.021 0.000 1.028 457 S CB 0.899 64.080 63.200 -0.031 0.000 0.906 457 S HN 0.222 nan 8.310 nan 0.000 0.528 458 N N 1.017 119.710 118.700 -0.011 0.000 2.104 458 N HA -0.160 4.580 4.740 0.000 0.000 0.190 458 N C 1.883 177.345 175.510 -0.079 0.000 1.024 458 N CA 1.374 54.427 53.050 0.005 0.000 0.853 458 N CB -0.270 38.255 38.487 0.063 0.000 1.008 458 N HN 0.595 nan 8.380 nan 0.000 0.424 459 M N 1.299 120.769 119.600 -0.216 0.000 2.065 459 M HA -0.120 4.360 4.480 0.000 0.000 0.259 459 M C 1.876 177.961 176.300 -0.358 0.000 1.069 459 M CA 1.591 56.518 55.300 -0.622 0.000 1.110 459 M CB -0.455 31.815 32.600 -0.549 0.000 1.328 459 M HN -0.016 nan 8.290 nan 0.000 0.405 460 V N 0.702 120.503 119.914 -0.188 0.000 2.358 460 V HA -0.277 3.844 4.120 0.000 0.000 0.246 460 V C 2.343 178.385 176.094 -0.088 0.000 1.047 460 V CA 1.748 63.975 62.300 -0.122 0.000 1.035 460 V CB -0.860 30.915 31.823 -0.079 0.000 0.658 460 V HN 0.551 nan 8.190 nan 0.000 0.452 461 Q N -0.859 118.904 119.800 -0.062 0.000 2.170 461 Q HA -0.255 4.085 4.340 0.000 0.000 0.203 461 Q C 2.208 178.192 176.000 -0.028 0.000 0.976 461 Q CA 2.009 57.791 55.803 -0.035 0.000 0.858 461 Q CB -0.235 28.495 28.738 -0.013 0.000 0.907 461 Q HN 0.805 nan 8.270 nan 0.000 0.433 462 H N 0.362 119.358 119.070 -0.124 0.000 2.326 462 H HA -0.046 4.510 4.556 0.000 0.000 0.301 462 H C 1.756 177.008 175.328 -0.128 0.000 1.081 462 H CA 1.411 57.398 56.048 -0.102 0.000 1.334 462 H CB -0.012 29.696 29.762 -0.091 0.000 1.385 462 H HN 0.118 nan 8.280 nan 0.000 0.504 463 L N 0.258 121.408 121.223 -0.121 0.000 2.093 463 L HA -0.150 4.190 4.340 0.000 0.000 0.208 463 L C 2.614 179.388 176.870 -0.161 0.000 1.085 463 L CA 1.559 56.296 54.840 -0.172 0.000 0.755 463 L CB -0.434 41.551 42.059 -0.122 0.000 0.904 463 L HN 0.324 nan 8.230 nan 0.000 0.435 464 K N 0.221 120.550 120.400 -0.119 0.000 2.057 464 K HA -0.277 4.043 4.320 0.000 0.000 0.207 464 K C 2.213 178.753 176.600 -0.101 0.000 1.049 464 K CA 1.679 57.913 56.287 -0.090 0.000 0.931 464 K CB 0.047 32.508 32.500 -0.066 0.000 0.714 464 K HN 0.081 nan 8.250 nan 0.000 0.440 465 Q N 0.964 120.684 119.800 -0.133 0.000 2.123 465 Q HA -0.027 4.313 4.340 0.000 0.000 0.199 465 Q C 1.948 177.858 176.000 -0.150 0.000 0.966 465 Q CA 1.251 56.977 55.803 -0.129 0.000 0.845 465 Q CB -0.123 28.532 28.738 -0.138 0.000 0.907 465 Q HN 0.405 nan 8.270 nan 0.000 0.439 466 L N -0.275 120.808 121.223 -0.232 0.000 2.046 466 L HA -0.184 4.156 4.340 0.000 0.000 0.208 466 L C 2.515 179.318 176.870 -0.111 0.000 1.077 466 L CA 1.502 56.221 54.840 -0.201 0.000 0.747 466 L CB -0.729 41.129 42.059 -0.336 0.000 0.896 466 L HN 0.292 nan 8.230 nan 0.000 0.432 467 S N -0.168 115.469 115.700 -0.106 0.000 2.356 467 S HA -0.206 4.264 4.470 0.000 0.000 0.223 467 S C 2.135 176.727 174.600 -0.014 0.000 1.032 467 S CA 1.308 59.481 58.200 -0.044 0.000 1.005 467 S CB -0.155 63.026 63.200 -0.032 0.000 0.867 467 S HN 0.432 nan 8.310 nan 0.000 0.449 468 A N 0.331 123.132 122.820 -0.032 0.000 2.024 468 A HA 0.003 4.323 4.320 0.000 0.000 0.220 468 A C 2.237 179.812 177.584 -0.015 0.000 1.164 468 A CA 1.944 53.969 52.037 -0.020 0.000 0.643 468 A CB -0.714 18.267 19.000 -0.032 0.000 0.806 468 A HN 0.570 nan 8.150 nan 0.000 0.451 469 S N -2.234 113.451 115.700 -0.024 0.000 2.575 469 S HA 0.391 4.861 4.470 0.000 0.000 0.215 469 S C 1.264 175.853 174.600 -0.018 0.000 0.966 469 S CA 0.750 58.939 58.200 -0.018 0.000 0.911 469 S CB 0.434 63.625 63.200 -0.014 0.000 0.780 469 S HN 1.396 nan 8.310 nan 0.000 0.514 470 G N 0.462 109.255 108.800 -0.012 0.000 2.318 470 G HA2 -0.168 3.792 3.960 0.000 0.000 0.172 470 G HA3 -0.168 3.792 3.960 0.000 0.000 0.172 470 G C -0.005 174.874 174.900 -0.035 0.000 1.002 470 G CA -0.493 44.595 45.100 -0.020 0.000 0.697 470 G HN 0.296 nan 8.290 nan 0.000 0.483 471 V N 2.575 122.472 119.914 -0.029 0.000 2.508 471 V HA 0.464 4.584 4.120 0.000 0.000 0.281 471 V C 1.714 177.760 176.094 -0.081 0.000 1.041 471 V CA 1.347 63.628 62.300 -0.032 0.000 1.016 471 V CB 1.257 33.055 31.823 -0.042 0.000 0.984 471 V HN 0.654 nan 8.190 nan 0.000 0.478 472 T N 0.684 115.159 114.554 -0.133 0.000 2.969 472 T HA 0.219 4.570 4.350 0.000 0.000 0.250 472 T C 0.377 174.915 174.700 -0.271 0.000 1.021 472 T CA 0.174 62.017 62.100 -0.429 0.000 1.003 472 T CB 0.079 68.537 68.868 -0.683 0.000 1.040 472 T HN 0.630 nan 8.240 nan 0.000 0.492 473 H N -0.001 118.966 119.070 -0.172 0.000 2.717 473 H HA 0.627 5.183 4.556 0.000 0.000 0.366 473 H C -1.060 174.270 175.328 0.004 0.000 1.132 473 H CA -1.192 54.818 56.048 -0.064 0.000 1.180 473 H CB 1.319 31.060 29.762 -0.034 0.000 1.678 473 H HN 0.085 nan 8.280 nan 0.000 0.537 474 I N 2.025 122.667 120.570 0.119 0.000 2.339 474 I HA 0.175 4.345 4.170 0.000 0.000 0.290 474 I C 0.220 176.401 176.117 0.107 0.000 0.994 474 I CA -0.352 61.008 61.300 0.100 0.000 1.191 474 I CB 1.223 39.249 38.000 0.043 0.000 1.343 474 I HN 0.669 nan 8.210 nan 0.000 0.458 475 E N 7.231 127.497 120.200 0.110 0.000 2.156 475 E HA 0.474 4.824 4.350 0.000 0.000 0.279 475 E C -1.352 175.276 176.600 0.047 0.000 0.965 475 E CA -0.607 55.872 56.400 0.131 0.000 0.789 475 E CB 1.229 31.083 29.700 0.256 0.000 1.098 475 E HN 0.481 nan 8.360 nan 0.000 0.397 476 L N 5.183 126.405 121.223 -0.001 0.000 2.275 476 L HA 0.291 4.631 4.340 0.000 0.000 0.288 476 L C -0.111 176.694 176.870 -0.109 0.000 1.046 476 L CA -0.937 53.863 54.840 -0.067 0.000 0.805 476 L CB 0.799 42.802 42.059 -0.093 0.000 1.193 476 L HN 0.535 nan 8.230 nan 0.000 0.426 477 L N 5.637 126.771 121.223 -0.147 0.000 2.482 477 L HA 0.151 4.491 4.340 0.000 0.000 0.273 477 L C -1.846 174.835 176.870 -0.315 0.000 1.228 477 L CA -0.829 53.867 54.840 -0.240 0.000 0.827 477 L CB -0.360 41.596 42.059 -0.171 0.000 1.099 477 L HN 0.379 nan 8.230 nan 0.000 0.494 478 P HA -0.163 nan 4.420 nan 0.000 0.247 478 P C 0.093 177.044 177.300 -0.581 0.000 1.103 478 P CA 0.790 63.453 63.100 -0.730 0.000 0.797 478 P CB -0.119 30.990 31.700 -0.985 0.000 0.710 479 V N 1.342 120.987 119.914 -0.447 0.000 3.380 479 V HA 0.256 4.376 4.120 0.000 0.000 0.307 479 V C 0.454 176.482 176.094 -0.111 0.000 1.434 479 V CA -0.227 62.040 62.300 -0.055 0.000 1.075 479 V CB -1.269 30.716 31.823 0.271 0.000 0.954 479 V HN 0.180 nan 8.190 nan 0.000 0.444 480 F N -0.024 119.859 119.950 -0.113 0.000 2.352 480 F HA 0.712 5.239 4.527 0.000 0.000 0.304 480 F C 0.422 176.247 175.800 0.042 0.000 1.215 480 F CA -1.409 56.581 58.000 -0.017 0.000 1.121 480 F CB -0.252 38.721 39.000 -0.044 0.000 1.329 480 F HN -0.034 nan 8.300 nan 0.000 0.528 481 D N 1.564 122.158 120.400 0.324 0.000 2.348 481 D HA 0.238 4.878 4.640 0.000 0.000 0.259 481 D C -0.523 175.896 176.300 0.199 0.000 1.296 481 D CA -0.092 54.015 54.000 0.178 0.000 0.931 481 D CB -0.169 40.748 40.800 0.195 0.000 1.067 481 D HN 0.626 nan 8.370 nan 0.000 0.503 482 L N 1.278 122.489 121.223 -0.020 0.000 2.439 482 L HA 0.733 5.073 4.340 0.000 0.000 0.259 482 L C 0.995 177.930 176.870 0.107 0.000 1.129 482 L CA -0.519 54.324 54.840 0.004 0.000 0.803 482 L CB 1.102 43.059 42.059 -0.171 0.000 1.161 482 L HN 0.189 nan 8.230 nan 0.000 0.462 483 A N -0.312 122.548 122.820 0.067 0.000 2.167 483 A HA 0.096 4.416 4.320 0.000 0.000 0.208 483 A C 1.670 179.234 177.584 -0.034 0.000 1.198 483 A CA 0.639 52.673 52.037 -0.005 0.000 0.863 483 A CB -0.674 18.143 19.000 -0.305 0.000 0.904 483 A HN 0.904 nan 8.150 nan 0.000 0.484 484 T N -1.625 112.921 114.554 -0.014 0.000 3.361 484 T HA 0.349 4.699 4.350 0.000 0.000 0.251 484 T C 0.026 174.719 174.700 -0.012 0.000 1.131 484 T CA 0.166 62.266 62.100 -0.000 0.000 1.001 484 T CB -0.598 68.302 68.868 0.053 0.000 1.003 484 T HN 0.011 nan 8.240 nan 0.000 0.558 485 V N 1.913 121.806 119.914 -0.036 0.000 2.623 485 V HA 0.393 4.513 4.120 0.000 0.000 0.304 485 V C -0.578 175.493 176.094 -0.038 0.000 1.054 485 V CA -1.380 60.888 62.300 -0.054 0.000 0.882 485 V CB 1.939 33.686 31.823 -0.128 0.000 1.002 485 V HN 0.338 nan 8.190 nan 0.000 0.424 486 N N 3.095 121.788 118.700 -0.010 0.000 2.442 486 N HA 0.152 4.892 4.740 0.000 0.000 0.265 486 N C 0.822 176.322 175.510 -0.015 0.000 1.138 486 N CA 0.116 53.184 53.050 0.031 0.000 0.956 486 N CB 1.433 39.966 38.487 0.076 0.000 1.067 486 N HN 0.735 nan 8.380 nan 0.000 0.474 487 E N 2.357 122.511 120.200 -0.077 0.000 2.502 487 E HA -0.013 4.337 4.350 0.000 0.000 0.194 487 E C -0.338 176.117 176.600 -0.241 0.000 1.062 487 E CA 0.276 56.560 56.400 -0.193 0.000 0.867 487 E CB 0.121 29.659 29.700 -0.269 0.000 0.888 487 E HN 0.507 nan 8.360 nan 0.000 0.510 488 F N 1.115 121.046 119.950 -0.032 0.000 2.405 488 F HA 0.080 4.607 4.527 0.000 0.000 0.358 488 F C 1.477 177.258 175.800 -0.031 0.000 1.151 488 F CA -0.331 57.651 58.000 -0.030 0.000 1.161 488 F CB 1.122 40.106 39.000 -0.026 0.000 1.245 488 F HN -0.129 nan 8.300 nan 0.000 0.545 489 S N 1.085 116.845 115.700 0.101 0.000 2.402 489 S HA -0.249 4.221 4.470 0.000 0.000 0.233 489 S C 1.716 176.350 174.600 0.056 0.000 1.030 489 S CA 1.703 59.934 58.200 0.051 0.000 1.003 489 S CB -0.286 62.928 63.200 0.023 0.000 0.813 489 S HN 0.791 nan 8.310 nan 0.000 0.477 490 D N 0.555 121.004 120.400 0.081 0.000 2.371 490 D HA -0.058 4.583 4.640 0.000 0.000 0.221 490 D C 1.151 177.466 176.300 0.025 0.000 0.986 490 D CA 0.584 54.608 54.000 0.040 0.000 0.899 490 D CB -0.098 40.719 40.800 0.030 0.000 0.902 490 D HN 0.185 nan 8.370 nan 0.000 0.530 491 K N 0.187 120.616 120.400 0.048 0.000 2.358 491 K HA 0.223 4.543 4.320 0.000 0.000 0.197 491 K C -0.086 176.522 176.600 0.013 0.000 1.025 491 K CA -0.136 56.166 56.287 0.025 0.000 1.104 491 K CB 1.737 34.266 32.500 0.048 0.000 0.855 491 K HN 0.106 nan 8.250 nan 0.000 0.531 492 V N 0.851 120.771 119.914 0.010 0.000 2.715 492 V HA 0.692 4.812 4.120 0.000 0.000 0.310 492 V C -0.596 175.480 176.094 -0.030 0.000 1.054 492 V CA -1.237 61.056 62.300 -0.010 0.000 0.928 492 V CB 1.829 33.649 31.823 -0.005 0.000 1.007 492 V HN 0.127 nan 8.190 nan 0.000 0.437 493 A N 2.516 125.305 122.820 -0.052 0.000 2.381 493 A HA 0.742 5.062 4.320 0.000 0.000 0.299 493 A C -1.054 176.477 177.584 -0.088 0.000 1.049 493 A CA -0.621 51.369 52.037 -0.078 0.000 0.715 493 A CB 1.078 20.011 19.000 -0.112 0.000 1.222 493 A HN 0.758 nan 8.150 nan 0.000 0.428 494 D N 1.512 121.860 120.400 -0.086 0.000 2.326 494 D HA 0.343 4.983 4.640 0.000 0.000 0.248 494 D C 1.678 177.904 176.300 -0.124 0.000 1.001 494 D CA -0.325 53.621 54.000 -0.090 0.000 0.961 494 D CB 1.609 42.365 40.800 -0.073 0.000 1.183 494 D HN 0.561 nan 8.370 nan 0.000 0.502 495 I N -1.411 119.080 120.570 -0.131 0.000 2.567 495 I HA -0.248 3.922 4.170 0.000 0.000 0.257 495 I C 1.172 177.210 176.117 -0.132 0.000 1.184 495 I CA 1.217 62.435 61.300 -0.136 0.000 1.451 495 I CB -0.182 37.766 38.000 -0.086 0.000 1.089 495 I HN 0.094 nan 8.210 nan 0.000 0.441 496 Q N 1.153 120.857 119.800 -0.161 0.000 2.472 496 Q HA 0.123 4.463 4.340 0.000 0.000 0.208 496 Q C 0.298 176.248 176.000 -0.083 0.000 0.958 496 Q CA 0.628 56.346 55.803 -0.142 0.000 0.932 496 Q CB -0.020 28.611 28.738 -0.178 0.000 1.007 496 Q HN 0.694 nan 8.270 nan 0.000 0.508 497 Q N 0.144 119.896 119.800 -0.080 0.000 2.193 497 Q HA 0.361 4.701 4.340 0.000 0.000 0.246 497 Q C -2.383 173.596 176.000 -0.035 0.000 0.959 497 Q CA -2.486 53.285 55.803 -0.053 0.000 0.904 497 Q CB 0.552 29.254 28.738 -0.059 0.000 1.238 497 Q HN -0.078 nan 8.270 nan 0.000 0.469 498 P HA -0.115 nan 4.420 nan 0.000 0.265 498 P C -0.479 176.853 177.300 0.054 0.000 1.187 498 P CA 0.439 63.565 63.100 0.045 0.000 0.766 498 P CB 0.319 32.046 31.700 0.045 0.000 0.820 499 F N 2.443 122.388 119.950 -0.008 0.000 2.269 499 F HA -0.228 4.299 4.527 0.000 0.000 0.301 499 F C 2.241 178.048 175.800 0.012 0.000 1.082 499 F CA 1.977 59.974 58.000 -0.006 0.000 1.360 499 F CB -0.138 38.879 39.000 0.028 0.000 1.041 499 F HN 0.295 nan 8.300 nan 0.000 0.512 500 S N 0.027 115.864 115.700 0.229 0.000 2.382 500 S HA -0.273 4.197 4.470 0.000 0.000 0.228 500 S C 2.200 176.838 174.600 0.063 0.000 1.027 500 S CA 1.167 59.457 58.200 0.150 0.000 0.991 500 S CB -0.724 62.538 63.200 0.103 0.000 0.823 500 S HN 0.523 nan 8.310 nan 0.000 0.469 501 R N 0.538 121.048 120.500 0.017 0.000 2.075 501 R HA 0.001 4.341 4.340 0.000 0.000 0.232 501 R C 2.392 178.654 176.300 -0.064 0.000 1.126 501 R CA 1.330 57.417 56.100 -0.022 0.000 0.963 501 R CB -0.493 29.787 30.300 -0.033 0.000 0.858 501 R HN 0.476 nan 8.270 nan 0.000 0.435 502 L N 0.771 121.908 121.223 -0.142 0.000 2.042 502 L HA -0.197 4.143 4.340 0.000 0.000 0.210 502 L C 2.078 178.863 176.870 -0.141 0.000 1.076 502 L CA 1.763 56.463 54.840 -0.234 0.000 0.749 502 L CB -0.625 41.106 42.059 -0.548 0.000 0.893 502 L HN 0.260 nan 8.230 nan 0.000 0.432 503 c N -0.456 118.115 118.600 -0.049 0.000 2.435 503 c HA -0.033 4.537 4.570 0.000 0.000 0.279 503 c C 2.505 176.609 174.090 0.022 0.000 1.321 503 c CA 0.345 56.700 56.329 0.042 0.000 1.752 503 c CB -0.954 41.646 42.510 0.149 0.000 1.959 503 c HN 0.533 nan 8.230 nan 0.000 0.500 504 E N 0.894 121.100 120.200 0.009 0.000 2.152 504 E HA -0.101 4.249 4.350 0.000 0.000 0.192 504 E C 2.244 178.838 176.600 -0.010 0.000 0.983 504 E CA 1.283 57.685 56.400 0.004 0.000 0.818 504 E CB -0.298 29.404 29.700 0.004 0.000 0.758 504 E HN 0.646 nan 8.360 nan 0.000 0.467 505 V N -1.823 118.076 119.914 -0.025 0.000 3.644 505 V HA 0.251 4.371 4.120 0.000 0.000 0.267 505 V C 0.520 176.596 176.094 -0.030 0.000 1.277 505 V CA 0.054 62.337 62.300 -0.028 0.000 1.096 505 V CB 0.060 31.863 31.823 -0.034 0.000 0.828 505 V HN 0.017 nan 8.190 nan 0.000 0.446 506 N N 1.263 119.943 118.700 -0.033 0.000 2.573 506 N HA 0.240 4.980 4.740 0.000 0.000 0.262 506 N C 1.004 176.512 175.510 -0.003 0.000 1.029 506 N CA 0.713 53.745 53.050 -0.029 0.000 0.882 506 N CB 2.110 40.562 38.487 -0.058 0.000 1.204 506 N HN 0.421 nan 8.380 nan 0.000 0.519 507 S N 2.156 117.858 115.700 0.004 0.000 2.423 507 S HA -0.095 4.375 4.470 0.000 0.000 0.231 507 S C 1.902 176.521 174.600 0.031 0.000 1.014 507 S CA 0.879 59.090 58.200 0.018 0.000 0.965 507 S CB -0.090 63.116 63.200 0.010 0.000 0.785 507 S HN 0.496 nan 8.310 nan 0.000 0.495 508 A N 1.585 124.420 122.820 0.025 0.000 1.933 508 A HA 0.060 4.380 4.320 0.000 0.000 0.218 508 A C 2.389 180.017 177.584 0.073 0.000 1.175 508 A CA 1.643 53.704 52.037 0.040 0.000 0.628 508 A CB -1.062 17.954 19.000 0.027 0.000 0.814 508 A HN 0.443 nan 8.150 nan 0.000 0.444 509 V N -0.038 119.918 119.914 0.069 0.000 2.358 509 V HA -0.220 3.901 4.120 0.000 0.000 0.246 509 V C 2.467 178.669 176.094 0.181 0.000 1.047 509 V CA 2.257 64.636 62.300 0.132 0.000 1.035 509 V CB -0.574 31.280 31.823 0.052 0.000 0.658 509 V HN 0.640 nan 8.190 nan 0.000 0.452 510 K N 0.613 121.088 120.400 0.125 0.000 2.360 510 K HA -0.128 4.192 4.320 0.000 0.000 0.201 510 K C 1.811 178.469 176.600 0.097 0.000 1.046 510 K CA 1.477 57.837 56.287 0.122 0.000 0.945 510 K CB -0.065 32.483 32.500 0.081 0.000 0.750 510 K HN 0.638 nan 8.250 nan 0.000 0.464 511 S N -0.857 114.893 115.700 0.084 0.000 2.554 511 S HA 0.072 4.542 4.470 0.000 0.000 0.226 511 S C 0.451 175.089 174.600 0.063 0.000 0.980 511 S CA -0.398 57.837 58.200 0.059 0.000 0.939 511 S CB 0.286 63.510 63.200 0.041 0.000 0.832 511 S HN 0.227 nan 8.310 nan 0.000 0.486 512 S N 1.700 117.463 115.700 0.106 0.000 2.694 512 S HA 0.318 4.788 4.470 0.000 0.000 0.278 512 S C 1.033 175.655 174.600 0.035 0.000 1.152 512 S CA -0.238 58.025 58.200 0.105 0.000 1.010 512 S CB 0.679 64.022 63.200 0.238 0.000 1.104 512 S HN 0.485 nan 8.310 nan 0.000 0.547 513 E N -0.274 119.861 120.200 -0.108 0.000 2.409 513 E HA -0.080 4.270 4.350 0.000 0.000 0.198 513 E C 0.468 176.868 176.600 -0.332 0.000 1.024 513 E CA 0.824 57.054 56.400 -0.284 0.000 0.861 513 E CB -0.617 28.807 29.700 -0.461 0.000 0.788 513 E HN 0.716 nan 8.360 nan 0.000 0.521 514 F N 0.620 120.648 119.950 0.131 0.000 2.727 514 F HA 0.398 4.925 4.527 0.000 0.000 0.302 514 F C 2.244 178.163 175.800 0.197 0.000 1.097 514 F CA 0.040 58.175 58.000 0.224 0.000 1.330 514 F CB 0.348 39.513 39.000 0.276 0.000 1.084 514 F HN 0.079 nan 8.300 nan 0.000 0.578 515 A N 0.659 123.620 122.820 0.235 0.000 2.032 515 A HA -0.151 4.169 4.320 0.000 0.000 0.221 515 A C 2.550 180.169 177.584 0.059 0.000 1.165 515 A CA 1.781 53.918 52.037 0.167 0.000 0.645 515 A CB -1.387 17.669 19.000 0.092 0.000 0.807 515 A HN 0.429 nan 8.150 nan 0.000 0.453 516 G N -2.343 106.431 108.800 -0.042 0.000 2.498 516 G HA2 -0.151 3.809 3.960 0.000 0.000 0.219 516 G HA3 -0.151 3.809 3.960 0.000 0.000 0.219 516 G C 1.190 175.900 174.900 -0.318 0.000 1.119 516 G CA 0.986 45.971 45.100 -0.191 0.000 0.766 516 G HN 0.642 nan 8.290 nan 0.000 0.552 517 Y N -0.571 119.542 120.300 -0.312 0.000 2.511 517 Y HA 0.083 4.633 4.550 0.000 0.000 0.279 517 Y C 2.720 178.356 175.900 -0.440 0.000 1.157 517 Y CA -0.398 57.335 58.100 -0.612 0.000 1.300 517 Y CB -0.093 37.496 38.460 -1.452 0.000 1.052 517 Y HN 0.181 nan 8.280 nan 0.000 0.529 518 c N -0.180 118.430 118.600 0.016 0.000 2.398 518 c HA -0.221 4.349 4.570 0.000 0.000 0.276 518 c C 1.870 176.040 174.090 0.134 0.000 1.222 518 c CA 1.582 58.044 56.329 0.222 0.000 1.746 518 c CB -0.557 42.067 42.510 0.191 0.000 2.039 518 c HN 0.460 nan 8.230 nan 0.000 0.470 519 D N 0.494 120.922 120.400 0.046 0.000 2.491 519 D HA 0.114 4.754 4.640 0.000 0.000 0.228 519 D C 0.673 176.979 176.300 0.011 0.000 1.183 519 D CA 0.032 54.051 54.000 0.032 0.000 0.827 519 D CB 0.021 40.828 40.800 0.012 0.000 0.989 519 D HN 0.586 nan 8.370 nan 0.000 0.494 520 S N -2.303 113.403 115.700 0.010 0.000 2.681 520 S HA 0.536 5.006 4.470 0.000 0.000 0.270 520 S C 1.271 175.900 174.600 0.048 0.000 1.209 520 S CA -0.238 57.964 58.200 0.003 0.000 0.988 520 S CB 1.711 64.907 63.200 -0.006 0.000 1.006 520 S HN 0.042 nan 8.310 nan 0.000 0.558 521 G N 0.136 108.963 108.800 0.045 0.000 3.434 521 G HA2 0.376 4.337 3.960 0.000 0.000 0.258 521 G HA3 0.376 4.337 3.960 0.000 0.000 0.258 521 G C -0.052 174.890 174.900 0.070 0.000 1.128 521 G CA -0.472 44.660 45.100 0.053 0.000 0.792 521 G HN 0.597 nan 8.290 nan 0.000 0.539 522 S N 0.286 116.043 115.700 0.096 0.000 2.646 522 S HA 0.559 5.029 4.470 0.000 0.000 0.276 522 S C 0.633 175.318 174.600 0.141 0.000 1.222 522 S CA -0.473 57.791 58.200 0.107 0.000 1.014 522 S CB 1.465 64.733 63.200 0.114 0.000 0.991 522 S HN 0.446 nan 8.310 nan 0.000 0.533 523 T N -1.344 113.271 114.554 0.103 0.000 2.874 523 T HA 0.362 4.712 4.350 0.000 0.000 0.281 523 T C 1.350 176.113 174.700 0.105 0.000 0.994 523 T CA -0.863 61.286 62.100 0.081 0.000 1.015 523 T CB 0.572 69.458 68.868 0.029 0.000 1.028 523 T HN 0.172 nan 8.240 nan 0.000 0.523 524 V N 0.935 120.867 119.914 0.030 0.000 2.407 524 V HA -0.143 3.977 4.120 0.000 0.000 0.248 524 V C 2.809 178.863 176.094 -0.067 0.000 1.055 524 V CA 2.317 64.596 62.300 -0.036 0.000 1.049 524 V CB -1.074 30.599 31.823 -0.250 0.000 0.662 524 V HN 1.083 nan 8.190 nan 0.000 0.455 525 E N 0.321 120.505 120.200 -0.027 0.000 2.077 525 E HA -0.266 4.084 4.350 0.000 0.000 0.193 525 E C 2.136 178.785 176.600 0.082 0.000 0.989 525 E CA 1.613 58.054 56.400 0.069 0.000 0.800 525 E CB -0.093 29.669 29.700 0.104 0.000 0.746 525 E HN 0.729 nan 8.360 nan 0.000 0.452 526 E N -0.133 120.101 120.200 0.057 0.000 2.150 526 E HA -0.146 4.204 4.350 0.000 0.000 0.193 526 E C 2.166 178.768 176.600 0.003 0.000 0.985 526 E CA 1.158 57.593 56.400 0.057 0.000 0.814 526 E CB 0.190 29.926 29.700 0.059 0.000 0.752 526 E HN 0.169 nan 8.360 nan 0.000 0.466 527 V N 1.333 121.210 119.914 -0.062 0.000 2.323 527 V HA -0.224 3.897 4.120 0.000 0.000 0.244 527 V C 2.284 178.221 176.094 -0.262 0.000 1.041 527 V CA 1.317 63.492 62.300 -0.207 0.000 1.025 527 V CB -0.391 31.200 31.823 -0.388 0.000 0.656 527 V HN 0.250 nan 8.190 nan 0.000 0.451 528 L N -0.185 120.828 121.223 -0.349 0.000 2.079 528 L HA -0.202 4.138 4.340 0.000 0.000 0.210 528 L C 2.630 179.270 176.870 -0.384 0.000 1.081 528 L CA 1.954 56.424 54.840 -0.616 0.000 0.752 528 L CB -0.957 40.359 42.059 -1.238 0.000 0.896 528 L HN 0.365 nan 8.230 nan 0.000 0.433 529 T N -1.342 113.167 114.554 -0.075 0.000 2.708 529 T HA -0.188 4.162 4.350 0.000 0.000 0.266 529 T C 1.889 176.630 174.700 0.068 0.000 1.037 529 T CA 1.039 63.237 62.100 0.163 0.000 1.146 529 T CB -0.107 68.886 68.868 0.209 0.000 0.865 529 T HN 0.266 nan 8.240 nan 0.000 0.435 530 Q N 0.615 120.427 119.800 0.020 0.000 2.291 530 Q HA 0.142 4.482 4.340 0.000 0.000 0.205 530 Q C 2.226 178.239 176.000 0.021 0.000 0.970 530 Q CA 0.715 56.537 55.803 0.031 0.000 0.876 530 Q CB -0.440 28.325 28.738 0.046 0.000 0.935 530 Q HN 0.511 nan 8.270 nan 0.000 0.455 531 L N 0.013 121.221 121.223 -0.026 0.000 2.478 531 L HA -0.078 4.262 4.340 0.000 0.000 0.223 531 L C 2.046 178.919 176.870 0.004 0.000 1.140 531 L CA 0.477 55.309 54.840 -0.014 0.000 0.842 531 L CB -0.122 41.891 42.059 -0.075 0.000 0.953 531 L HN 0.122 nan 8.230 nan 0.000 0.452 532 K N 0.127 120.540 120.400 0.022 0.000 2.026 532 K HA -0.256 4.064 4.320 0.000 0.000 0.208 532 K C 2.093 178.719 176.600 0.044 0.000 1.048 532 K CA 1.455 57.775 56.287 0.055 0.000 0.929 532 K CB -0.142 32.421 32.500 0.105 0.000 0.713 532 K HN 0.248 nan 8.250 nan 0.000 0.439 533 Q N 1.006 120.830 119.800 0.041 0.000 2.112 533 Q HA -0.220 4.120 4.340 0.000 0.000 0.206 533 Q C 1.375 177.392 176.000 0.029 0.000 0.987 533 Q CA 1.787 57.610 55.803 0.034 0.000 0.858 533 Q CB -0.028 28.730 28.738 0.032 0.000 0.905 533 Q HN 0.145 nan 8.270 nan 0.000 0.420 534 N N 0.728 119.446 118.700 0.030 0.000 2.268 534 N HA -0.028 4.713 4.740 0.000 0.000 0.204 534 N C -1.021 174.504 175.510 0.025 0.000 1.124 534 N CA -0.032 53.035 53.050 0.028 0.000 0.838 534 N CB 0.277 38.783 38.487 0.032 0.000 0.994 534 N HN 0.211 nan 8.380 nan 0.000 0.489 535 D N 0.140 120.554 120.400 0.023 0.000 2.304 535 D HA 0.219 4.859 4.640 0.000 0.000 0.250 535 D C -0.586 175.708 176.300 -0.010 0.000 1.107 535 D CA 0.264 54.273 54.000 0.015 0.000 0.885 535 D CB 0.991 41.805 40.800 0.025 0.000 1.192 535 D HN 0.357 nan 8.370 nan 0.000 0.436 536 S N 1.408 117.086 115.700 -0.037 0.000 2.655 536 S HA 0.169 4.639 4.470 0.000 0.000 0.266 536 S C 0.807 175.320 174.600 -0.146 0.000 1.149 536 S CA -0.641 57.513 58.200 -0.077 0.000 0.818 536 S CB 1.083 64.263 63.200 -0.034 0.000 1.130 536 S HN 0.509 nan 8.310 nan 0.000 0.476 537 K N 0.067 120.361 120.400 -0.176 0.000 2.211 537 K HA -0.081 4.239 4.320 0.000 0.000 0.204 537 K C 0.454 177.073 176.600 0.032 0.000 1.047 537 K CA 1.889 58.063 56.287 -0.189 0.000 0.935 537 K CB -0.523 31.947 32.500 -0.051 0.000 0.728 537 K HN 0.535 nan 8.250 nan 0.000 0.452 538 D N 0.363 120.776 120.400 0.022 0.000 2.348 538 D HA -0.035 4.605 4.640 0.000 0.000 0.211 538 D C -0.076 176.254 176.300 0.051 0.000 0.998 538 D CA 0.583 54.614 54.000 0.052 0.000 0.873 538 D CB 0.112 40.932 40.800 0.034 0.000 0.925 538 D HN 0.238 nan 8.370 nan 0.000 0.524 539 N N 0.543 119.264 118.700 0.035 0.000 2.716 539 N HA 0.083 4.823 4.740 0.000 0.000 0.245 539 N C -2.761 172.776 175.510 0.045 0.000 1.495 539 N CA -1.225 51.852 53.050 0.045 0.000 0.759 539 N CB 1.213 39.721 38.487 0.034 0.000 1.261 539 N HN -0.234 nan 8.380 nan 0.000 0.515 540 P HA 0.052 nan 4.420 nan 0.000 0.226 540 P C 0.238 177.608 177.300 0.116 0.000 1.783 540 P CA 0.007 63.150 63.100 0.072 0.000 0.980 540 P CB -0.125 31.673 31.700 0.164 0.000 1.967 541 Q N -0.837 119.029 119.800 0.109 0.000 2.230 541 Q HA -0.050 4.290 4.340 0.000 0.000 0.202 541 Q C 1.416 177.470 176.000 0.090 0.000 0.963 541 Q CA 0.913 56.817 55.803 0.168 0.000 0.866 541 Q CB -0.881 27.966 28.738 0.182 0.000 0.931 541 Q HN 0.067 nan 8.270 nan 0.000 0.452 542 V N 2.296 122.220 119.914 0.016 0.000 2.261 542 V HA -0.326 3.794 4.120 0.000 0.000 0.246 542 V C 2.563 178.621 176.094 -0.060 0.000 1.047 542 V CA 2.399 64.629 62.300 -0.117 0.000 1.015 542 V CB -0.814 30.955 31.823 -0.090 0.000 0.642 542 V HN 0.589 nan 8.190 nan 0.000 0.446 543 Q N 1.344 121.223 119.800 0.131 0.000 2.224 543 Q HA -0.024 4.316 4.340 0.000 0.000 0.203 543 Q C 1.928 177.964 176.000 0.061 0.000 0.970 543 Q CA 1.974 57.873 55.803 0.158 0.000 0.865 543 Q CB -0.805 28.015 28.738 0.136 0.000 0.922 543 Q HN 0.479 nan 8.270 nan 0.000 0.445 544 A N 1.049 123.921 122.820 0.086 0.000 1.877 544 A HA -0.116 4.205 4.320 0.000 0.000 0.216 544 A C 2.072 179.675 177.584 0.030 0.000 1.186 544 A CA 1.578 53.703 52.037 0.145 0.000 0.620 544 A CB -0.794 18.394 19.000 0.313 0.000 0.822 544 A HN 0.438 nan 8.150 nan 0.000 0.443 545 L N 0.210 121.265 121.223 -0.281 0.000 2.072 545 L HA -0.059 4.281 4.340 0.000 0.000 0.205 545 L C 1.890 178.536 176.870 -0.374 0.000 1.079 545 L CA 2.517 56.923 54.840 -0.724 0.000 0.752 545 L CB -0.962 40.405 42.059 -1.153 0.000 0.906 545 L HN 0.430 nan 8.230 nan 0.000 0.436 546 N N -1.163 117.379 118.700 -0.263 0.000 2.223 546 N HA -0.181 4.559 4.740 0.000 0.000 0.185 546 N C 1.632 177.087 175.510 -0.092 0.000 1.016 546 N CA 1.745 54.700 53.050 -0.159 0.000 0.863 546 N CB -0.157 38.321 38.487 -0.016 0.000 0.983 546 N HN 0.420 nan 8.380 nan 0.000 0.429 547 T N 0.411 114.927 114.554 -0.063 0.000 2.788 547 T HA -0.061 4.290 4.350 0.000 0.000 0.268 547 T C 1.753 176.418 174.700 -0.059 0.000 1.044 547 T CA 0.888 62.957 62.100 -0.052 0.000 1.139 547 T CB -0.133 68.724 68.868 -0.019 0.000 0.867 547 T HN 0.202 nan 8.240 nan 0.000 0.454 548 L N 0.370 121.552 121.223 -0.067 0.000 2.095 548 L HA -0.002 4.338 4.340 0.000 0.000 0.204 548 L C 2.640 179.450 176.870 -0.099 0.000 1.080 548 L CA 0.621 55.425 54.840 -0.060 0.000 0.759 548 L CB -0.659 41.379 42.059 -0.035 0.000 0.914 548 L HN 0.113 nan 8.230 nan 0.000 0.439 549 V N 0.601 120.426 119.914 -0.149 0.000 2.392 549 V HA -0.310 3.810 4.120 0.000 0.000 0.249 549 V C 2.809 178.840 176.094 -0.103 0.000 1.059 549 V CA 1.806 64.008 62.300 -0.163 0.000 1.051 549 V CB -0.923 30.780 31.823 -0.201 0.000 0.658 549 V HN 0.490 nan 8.190 nan 0.000 0.455 550 A N -0.673 122.095 122.820 -0.086 0.000 2.024 550 A HA -0.307 4.013 4.320 0.000 0.000 0.220 550 A C 2.141 179.692 177.584 -0.055 0.000 1.164 550 A CA 1.936 53.931 52.037 -0.069 0.000 0.643 550 A CB -0.456 18.483 19.000 -0.103 0.000 0.806 550 A HN 0.684 nan 8.150 nan 0.000 0.451 551 Q N -0.888 118.879 119.800 -0.055 0.000 2.224 551 Q HA -0.076 4.264 4.340 0.000 0.000 0.203 551 Q C 1.201 177.182 176.000 -0.032 0.000 0.970 551 Q CA 1.562 57.342 55.803 -0.039 0.000 0.865 551 Q CB -0.106 28.611 28.738 -0.034 0.000 0.922 551 Q HN 0.810 nan 8.270 nan 0.000 0.445 552 T N -2.057 112.472 114.554 -0.042 0.000 3.337 552 T HA 0.101 4.451 4.350 0.000 0.000 0.299 552 T C -0.361 174.319 174.700 -0.034 0.000 0.998 552 T CA -0.368 61.711 62.100 -0.036 0.000 0.948 552 T CB 0.088 68.928 68.868 -0.047 0.000 1.170 552 T HN 0.145 nan 8.240 nan 0.000 0.508 553 D N 0.870 121.257 120.400 -0.022 0.000 2.511 553 D HA 0.378 5.018 4.640 0.000 0.000 0.276 553 D C 0.634 176.948 176.300 0.023 0.000 1.220 553 D CA -1.033 52.965 54.000 -0.004 0.000 1.077 553 D CB 0.438 41.245 40.800 0.013 0.000 1.126 553 D HN -0.050 nan 8.370 nan 0.000 0.583 554 S N -1.983 113.746 115.700 0.048 0.000 2.605 554 S HA 0.054 4.524 4.470 0.000 0.000 0.217 554 S C -0.447 174.207 174.600 0.089 0.000 0.958 554 S CA -0.323 57.900 58.200 0.038 0.000 0.919 554 S CB -0.726 62.492 63.200 0.030 0.000 0.780 554 S HN 0.415 nan 8.310 nan 0.000 0.507 555 Y N 2.964 123.288 120.300 0.039 0.000 2.330 555 Y HA 0.602 5.153 4.550 0.000 0.000 0.336 555 Y C -0.030 175.897 175.900 0.045 0.000 1.036 555 Y CA -0.813 57.338 58.100 0.084 0.000 1.125 555 Y CB 0.579 39.075 38.460 0.060 0.000 1.194 555 Y HN 0.044 nan 8.280 nan 0.000 0.469 556 N N 4.209 122.749 118.700 -0.266 0.000 3.217 556 N HA -0.042 4.698 4.740 0.000 0.000 0.236 556 N C -0.213 175.342 175.510 0.075 0.000 1.136 556 N CA -0.442 52.600 53.050 -0.014 0.000 0.997 556 N CB 0.448 38.974 38.487 0.066 0.000 1.658 556 N HN 0.693 nan 8.380 nan 0.000 0.527 557 W N 2.206 123.574 121.300 0.114 0.000 2.342 557 W HA 0.057 4.717 4.660 0.000 0.000 0.297 557 W C 1.654 178.158 176.519 -0.025 0.000 1.213 557 W CA 2.296 59.726 57.345 0.142 0.000 1.251 557 W CB -0.714 28.976 29.460 0.383 0.000 1.136 557 W HN 0.908 nan 8.180 nan 0.000 0.526 558 G N -1.959 106.977 108.800 0.227 0.000 2.130 558 G HA2 -0.313 3.647 3.960 0.000 0.000 0.216 558 G HA3 -0.313 3.647 3.960 0.000 0.000 0.216 558 G C -0.120 174.723 174.900 -0.094 0.000 0.999 558 G CA -0.153 44.924 45.100 -0.039 0.000 0.686 558 G HN 0.277 nan 8.290 nan 0.000 0.515 559 Y N 1.823 122.271 120.300 0.246 0.000 3.007 559 Y HA 0.318 4.868 4.550 0.000 0.000 0.390 559 Y C 0.469 176.549 175.900 0.299 0.000 1.065 559 Y CA -0.103 58.168 58.100 0.285 0.000 1.845 559 Y CB 0.276 38.919 38.460 0.305 0.000 1.828 559 Y HN 0.190 nan 8.280 nan 0.000 0.458 560 D N 0.598 121.176 120.400 0.296 0.000 2.405 560 D HA 0.183 4.823 4.640 0.000 0.000 0.264 560 D C -2.893 173.501 176.300 0.156 0.000 1.240 560 D CA -1.465 52.673 54.000 0.230 0.000 0.893 560 D CB 1.499 42.394 40.800 0.157 0.000 1.198 560 D HN 0.070 nan 8.370 nan 0.000 0.514 561 P HA 0.054 nan 4.420 nan 0.000 0.262 561 P C -0.025 177.208 177.300 -0.112 0.000 1.199 561 P CA 0.135 63.199 63.100 -0.060 0.000 0.763 561 P CB 0.585 31.973 31.700 -0.519 0.000 0.790 562 F N 2.266 122.089 119.950 -0.212 0.000 2.480 562 F HA 0.137 4.664 4.527 0.000 0.000 0.280 562 F C 0.684 176.110 175.800 -0.624 0.000 1.002 562 F CA 0.134 57.952 58.000 -0.304 0.000 1.325 562 F CB 0.672 39.615 39.000 -0.094 0.000 1.134 562 F HN 0.266 nan 8.300 nan 0.000 0.646 563 H N -0.492 118.585 119.070 0.010 0.000 2.840 563 H HA 0.152 4.708 4.556 0.000 0.000 0.340 563 H C -0.528 174.803 175.328 0.004 0.000 1.004 563 H CA -0.584 55.425 56.048 -0.064 0.000 1.288 563 H CB 1.263 30.976 29.762 -0.082 0.000 1.607 563 H HN 0.205 nan 8.280 nan 0.000 0.522 564 Y N 1.188 121.599 120.300 0.185 0.000 2.439 564 Y HA -0.086 4.465 4.550 0.000 0.000 0.292 564 Y C 1.287 177.413 175.900 0.378 0.000 1.130 564 Y CA 0.835 59.011 58.100 0.127 0.000 1.254 564 Y CB 0.657 39.196 38.460 0.132 0.000 1.000 564 Y HN 0.369 nan 8.280 nan 0.000 0.554 565 T N -0.179 114.635 114.554 0.435 0.000 3.415 565 T HA 0.407 4.757 4.350 0.000 0.000 0.282 565 T C -0.603 174.095 174.700 -0.003 0.000 1.007 565 T CA -0.122 62.095 62.100 0.195 0.000 0.958 565 T CB -0.292 68.639 68.868 0.106 0.000 1.171 565 T HN -0.253 nan 8.240 nan 0.000 0.500 566 V N 1.654 121.667 119.914 0.166 0.000 2.760 566 V HA 0.467 4.587 4.120 0.000 0.000 0.309 566 V C -2.731 173.444 176.094 0.136 0.000 1.077 566 V CA -2.608 59.712 62.300 0.034 0.000 0.910 566 V CB 2.663 34.501 31.823 0.026 0.000 1.008 566 V HN 0.060 nan 8.190 nan 0.000 0.424 567 P HA 0.191 nan 4.420 nan 0.000 0.272 567 P C -0.582 176.795 177.300 0.127 0.000 1.223 567 P CA -0.179 62.917 63.100 -0.007 0.000 0.784 567 P CB 0.554 32.097 31.700 -0.262 0.000 0.923 568 E N 0.835 121.152 120.200 0.196 0.000 2.392 568 E HA 0.145 4.495 4.350 0.000 0.000 0.264 568 E C 1.296 177.922 176.600 0.043 0.000 1.024 568 E CA 0.490 56.912 56.400 0.037 0.000 0.903 568 E CB -0.026 29.589 29.700 -0.142 0.000 0.963 568 E HN 0.512 nan 8.360 nan 0.000 0.432 569 G N 2.261 111.011 108.800 -0.084 0.000 2.453 569 G HA2 -0.184 3.776 3.960 0.000 0.000 0.215 569 G HA3 -0.184 3.776 3.960 0.000 0.000 0.215 569 G C 1.332 176.133 174.900 -0.165 0.000 1.147 569 G CA 0.540 45.591 45.100 -0.082 0.000 0.802 569 G HN 0.623 nan 8.290 nan 0.000 0.535 570 S N 0.048 115.565 115.700 -0.306 0.000 2.442 570 S HA -0.081 4.389 4.470 0.000 0.000 0.236 570 S C 1.850 176.270 174.600 -0.299 0.000 1.007 570 S CA 0.745 58.752 58.200 -0.321 0.000 0.965 570 S CB -0.497 62.468 63.200 -0.392 0.000 0.773 570 S HN 0.333 nan 8.310 nan 0.000 0.504 571 Y N 2.084 122.169 120.300 -0.360 0.000 2.490 571 Y HA 0.593 5.143 4.550 0.000 0.000 0.281 571 Y C 1.305 176.833 175.900 -0.620 0.000 1.174 571 Y CA -0.966 56.729 58.100 -0.675 0.000 1.295 571 Y CB -0.926 36.744 38.460 -1.317 0.000 1.062 571 Y HN 0.423 nan 8.280 nan 0.000 0.522 572 A N -0.193 122.555 122.820 -0.120 0.000 2.282 572 A HA 0.441 4.761 4.320 0.000 0.000 0.319 572 A C 1.441 179.037 177.584 0.021 0.000 1.121 572 A CA 0.144 52.224 52.037 0.071 0.000 0.836 572 A CB 0.385 19.491 19.000 0.176 0.000 1.146 572 A HN 0.319 nan 8.150 nan 0.000 0.494 573 T N -1.847 112.735 114.554 0.047 0.000 2.951 573 T HA -0.013 4.337 4.350 0.000 0.000 0.268 573 T C 0.177 174.885 174.700 0.014 0.000 1.073 573 T CA 1.556 63.669 62.100 0.022 0.000 1.134 573 T CB -0.133 68.754 68.868 0.030 0.000 0.884 573 T HN 0.588 nan 8.240 nan 0.000 0.479 574 D N 1.806 122.221 120.400 0.025 0.000 2.421 574 D HA 0.311 4.952 4.640 0.000 0.000 0.254 574 D C -2.135 174.169 176.300 0.007 0.000 1.238 574 D CA -2.481 51.527 54.000 0.012 0.000 0.919 574 D CB 2.125 42.940 40.800 0.024 0.000 1.152 574 D HN -0.007 nan 8.370 nan 0.000 0.552 575 P HA 0.013 nan 4.420 nan 0.000 0.245 575 P C 0.106 177.365 177.300 -0.068 0.000 1.212 575 P CA 0.141 63.201 63.100 -0.066 0.000 0.774 575 P CB 0.458 32.072 31.700 -0.143 0.000 0.999 576 E N 1.018 121.198 120.200 -0.034 0.000 2.089 576 E HA 0.456 4.806 4.350 0.000 0.000 0.284 576 E C 0.793 177.450 176.600 0.094 0.000 1.023 576 E CA 0.328 56.730 56.400 0.005 0.000 0.819 576 E CB -0.178 29.527 29.700 0.009 0.000 1.076 576 E HN 0.295 nan 8.360 nan 0.000 0.396 577 G N 3.178 112.079 108.800 0.170 0.000 2.542 577 G HA2 -0.347 3.614 3.960 0.000 0.000 0.235 577 G HA3 -0.347 3.614 3.960 0.000 0.000 0.235 577 G C 0.919 175.867 174.900 0.080 0.000 1.286 577 G CA 0.170 45.379 45.100 0.183 0.000 0.904 577 G HN 0.894 nan 8.290 nan 0.000 0.577 578 T N -1.067 113.509 114.554 0.037 0.000 3.072 578 T HA 0.326 4.676 4.350 0.000 0.000 0.266 578 T C 2.584 177.302 174.700 0.029 0.000 1.127 578 T CA 2.212 64.323 62.100 0.019 0.000 1.107 578 T CB -0.398 68.462 68.868 -0.012 0.000 0.910 578 T HN 2.122 nan 8.240 nan 0.000 0.513 579 A N 3.538 126.382 122.820 0.039 0.000 1.915 579 A HA -0.283 4.037 4.320 0.000 0.000 0.220 579 A C 2.527 180.156 177.584 0.075 0.000 1.198 579 A CA 2.377 54.443 52.037 0.047 0.000 0.647 579 A CB -0.919 18.111 19.000 0.049 0.000 0.825 579 A HN 0.819 nan 8.150 nan 0.000 0.456 580 R N -0.244 120.316 120.500 0.100 0.000 2.152 580 R HA -0.045 4.295 4.340 0.000 0.000 0.232 580 R C 1.820 178.216 176.300 0.159 0.000 1.117 580 R CA 1.718 57.922 56.100 0.174 0.000 0.981 580 R CB -0.763 29.653 30.300 0.193 0.000 0.870 580 R HN 0.506 nan 8.270 nan 0.000 0.451 581 I N 1.417 122.046 120.570 0.097 0.000 2.142 581 I HA -0.250 3.920 4.170 0.000 0.000 0.240 581 I C 2.797 178.952 176.117 0.064 0.000 1.078 581 I CA 1.653 63.013 61.300 0.100 0.000 1.343 581 I CB -0.310 37.708 38.000 0.030 0.000 1.046 581 I HN 0.240 nan 8.210 nan 0.000 0.405 582 K N 0.953 121.353 120.400 0.001 0.000 2.097 582 K HA -0.183 4.138 4.320 0.000 0.000 0.205 582 K C 1.988 178.587 176.600 -0.000 0.000 1.050 582 K CA 1.365 57.620 56.287 -0.053 0.000 0.938 582 K CB 0.034 32.508 32.500 -0.043 0.000 0.718 582 K HN 0.313 nan 8.250 nan 0.000 0.442 583 E N -0.294 119.949 120.200 0.072 0.000 2.077 583 E HA -0.208 4.142 4.350 0.000 0.000 0.193 583 E C 1.818 178.458 176.600 0.067 0.000 0.989 583 E CA 1.262 57.730 56.400 0.112 0.000 0.800 583 E CB -0.178 29.649 29.700 0.213 0.000 0.746 583 E HN 0.304 nan 8.360 nan 0.000 0.452 584 F N 1.721 121.569 119.950 -0.169 0.000 2.102 584 F HA -0.173 4.354 4.527 0.000 0.000 0.298 584 F C 2.337 178.033 175.800 -0.174 0.000 1.105 584 F CA 1.508 59.244 58.000 -0.439 0.000 1.239 584 F CB 0.092 38.820 39.000 -0.453 0.000 0.991 584 F HN -0.197 nan 8.300 nan 0.000 0.474 585 R N -0.618 119.929 120.500 0.078 0.000 2.096 585 R HA -0.123 4.217 4.340 0.000 0.000 0.235 585 R C 2.109 178.390 176.300 -0.031 0.000 1.127 585 R CA 1.863 57.863 56.100 -0.167 0.000 0.968 585 R CB -0.837 29.006 30.300 -0.763 0.000 0.861 585 R HN 0.247 nan 8.270 nan 0.000 0.440 586 T N 1.273 115.810 114.554 -0.029 0.000 2.759 586 T HA -0.195 4.155 4.350 0.000 0.000 0.269 586 T C 1.662 176.376 174.700 0.022 0.000 1.042 586 T CA 1.470 63.589 62.100 0.032 0.000 1.140 586 T CB -0.091 68.793 68.868 0.026 0.000 0.864 586 T HN 0.275 nan 8.240 nan 0.000 0.455 587 M N 0.560 120.124 119.600 -0.061 0.000 2.099 587 M HA -0.067 4.413 4.480 0.000 0.000 0.262 587 M C 1.857 178.098 176.300 -0.099 0.000 1.067 587 M CA 1.590 56.826 55.300 -0.106 0.000 1.124 587 M CB -0.188 32.281 32.600 -0.217 0.000 1.353 587 M HN 0.092 nan 8.290 nan 0.000 0.410 588 I N 0.784 121.289 120.570 -0.109 0.000 2.163 588 I HA -0.322 3.848 4.170 0.000 0.000 0.243 588 I C 2.509 178.701 176.117 0.125 0.000 1.085 588 I CA 1.732 63.047 61.300 0.026 0.000 1.347 588 I CB -1.648 36.500 38.000 0.246 0.000 1.044 588 I HN 0.583 nan 8.210 nan 0.000 0.408 589 Q N 0.840 120.787 119.800 0.244 0.000 2.084 589 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 589 Q C 2.311 178.354 176.000 0.071 0.000 0.978 589 Q CA 2.138 58.051 55.803 0.183 0.000 0.844 589 Q CB 0.015 28.922 28.738 0.281 0.000 0.898 589 Q HN 0.478 nan 8.270 nan 0.000 0.426 590 A N 0.875 123.724 122.820 0.049 0.000 1.877 590 A HA -0.175 4.145 4.320 0.000 0.000 0.216 590 A C 1.997 179.576 177.584 -0.007 0.000 1.186 590 A CA 1.458 53.503 52.037 0.013 0.000 0.620 590 A CB -0.683 18.318 19.000 0.001 0.000 0.822 590 A HN 0.491 nan 8.150 nan 0.000 0.443 591 I N -0.657 119.903 120.570 -0.017 0.000 2.179 591 I HA -0.268 3.902 4.170 0.000 0.000 0.242 591 I C 2.518 178.621 176.117 -0.023 0.000 1.088 591 I CA 1.622 62.905 61.300 -0.028 0.000 1.357 591 I CB -0.291 37.684 38.000 -0.041 0.000 1.051 591 I HN 0.301 nan 8.210 nan 0.000 0.409 592 K N 0.145 120.534 120.400 -0.019 0.000 2.044 592 K HA -0.160 4.160 4.320 0.000 0.000 0.204 592 K C 2.200 178.779 176.600 -0.036 0.000 1.049 592 K CA 1.174 57.443 56.287 -0.030 0.000 0.945 592 K CB -0.148 32.326 32.500 -0.043 0.000 0.724 592 K HN 0.300 nan 8.250 nan 0.000 0.440 593 Q N 0.465 120.249 119.800 -0.027 0.000 2.062 593 Q HA -0.112 4.229 4.340 0.000 0.000 0.196 593 Q C 1.151 177.136 176.000 -0.025 0.000 0.967 593 Q CA 1.316 57.102 55.803 -0.029 0.000 0.832 593 Q CB 0.410 29.139 28.738 -0.016 0.000 0.899 593 Q HN 0.217 nan 8.270 nan 0.000 0.442 594 D N -0.392 119.997 120.400 -0.017 0.000 2.277 594 D HA 0.020 4.660 4.640 0.000 0.000 0.209 594 D C 1.476 177.760 176.300 -0.026 0.000 0.970 594 D CA 0.600 54.588 54.000 -0.020 0.000 0.874 594 D CB 0.439 41.231 40.800 -0.014 0.000 0.982 594 D HN 0.249 nan 8.370 nan 0.000 0.504 595 L N -0.286 120.921 121.223 -0.027 0.000 2.554 595 L HA 0.238 4.579 4.340 0.000 0.000 0.225 595 L C 1.219 178.078 176.870 -0.018 0.000 1.104 595 L CA 0.266 55.088 54.840 -0.030 0.000 0.866 595 L CB 0.188 42.224 42.059 -0.037 0.000 1.047 595 L HN 0.047 nan 8.230 nan 0.000 0.468 596 G N 1.104 109.894 108.800 -0.016 0.000 2.198 596 G HA2 -0.304 3.656 3.960 0.000 0.000 0.260 596 G HA3 -0.304 3.656 3.960 0.000 0.000 0.260 596 G C 0.069 175.019 174.900 0.083 0.000 1.025 596 G CA 0.385 45.481 45.100 -0.006 0.000 0.769 596 G HN 0.292 nan 8.290 nan 0.000 0.507 597 M N -0.484 119.143 119.600 0.045 0.000 2.535 597 M HA 0.406 4.886 4.480 0.000 0.000 0.314 597 M C 0.042 176.308 176.300 -0.057 0.000 1.153 597 M CA -1.024 54.294 55.300 0.030 0.000 0.924 597 M CB 1.539 34.122 32.600 -0.028 0.000 1.710 597 M HN 0.042 nan 8.290 nan 0.000 0.451 598 N N 0.453 119.015 118.700 -0.231 0.000 2.381 598 N HA 0.493 5.233 4.740 0.000 0.000 0.254 598 N C -1.208 174.202 175.510 -0.168 0.000 1.264 598 N CA -0.227 52.644 53.050 -0.298 0.000 0.942 598 N CB 0.907 38.967 38.487 -0.711 0.000 1.190 598 N HN 0.319 nan 8.380 nan 0.000 0.495 599 V N 1.491 121.375 119.914 -0.049 0.000 2.540 599 V HA 0.499 4.619 4.120 0.000 0.000 0.302 599 V C -0.081 176.041 176.094 0.048 0.000 1.035 599 V CA -0.623 61.684 62.300 0.012 0.000 0.873 599 V CB 1.340 33.161 31.823 -0.004 0.000 0.992 599 V HN 0.444 nan 8.190 nan 0.000 0.428 600 I N 4.614 125.233 120.570 0.082 0.000 2.474 600 I HA 0.522 4.692 4.170 0.000 0.000 0.294 600 I C -0.326 175.768 176.117 -0.040 0.000 1.005 600 I CA -0.457 60.879 61.300 0.060 0.000 1.113 600 I CB 2.051 40.223 38.000 0.286 0.000 1.289 600 I HN 0.419 nan 8.210 nan 0.000 0.436 601 M N 4.159 123.649 119.600 -0.183 0.000 2.364 601 M HA 0.321 4.801 4.480 0.000 0.000 0.334 601 M C -1.235 174.986 176.300 -0.132 0.000 1.107 601 M CA -0.755 54.452 55.300 -0.157 0.000 0.988 601 M CB 1.657 34.125 32.600 -0.221 0.000 1.673 601 M HN 0.379 nan 8.290 nan 0.000 0.441 602 D N 2.535 122.874 120.400 -0.102 0.000 2.312 602 D HA 0.370 5.010 4.640 0.000 0.000 0.252 602 D C -0.725 175.519 176.300 -0.093 0.000 1.150 602 D CA 0.082 54.026 54.000 -0.094 0.000 0.870 602 D CB 1.020 41.795 40.800 -0.042 0.000 1.153 602 D HN 0.320 nan 8.370 nan 0.000 0.457 603 V N 0.193 119.958 119.914 -0.249 0.000 2.715 603 V HA 0.684 4.804 4.120 0.000 0.000 0.310 603 V C -0.174 175.672 176.094 -0.413 0.000 1.054 603 V CA -0.874 61.135 62.300 -0.485 0.000 0.928 603 V CB 2.118 33.523 31.823 -0.696 0.000 1.007 603 V HN 0.179 nan 8.190 nan 0.000 0.437 604 V N 4.223 123.760 119.914 -0.630 0.000 2.361 604 V HA 0.288 4.408 4.120 0.000 0.000 0.252 604 V C -0.185 175.764 176.094 -0.242 0.000 0.986 604 V CA -0.068 62.068 62.300 -0.273 0.000 1.033 604 V CB -0.398 31.378 31.823 -0.078 0.000 1.282 604 V HN 0.959 nan 8.190 nan 0.000 0.514 605 Y N 1.121 121.447 120.300 0.044 0.000 2.529 605 Y HA -0.001 4.549 4.550 0.000 0.000 0.290 605 Y C 2.347 178.433 175.900 0.310 0.000 1.177 605 Y CA 0.395 58.538 58.100 0.072 0.000 1.305 605 Y CB -0.150 38.299 38.460 -0.019 0.000 1.047 605 Y HN 0.632 nan 8.280 nan 0.000 0.522 606 N N 0.658 119.610 118.700 0.421 0.000 2.512 606 N HA -0.107 4.633 4.740 0.000 0.000 0.183 606 N C -0.111 175.531 175.510 0.219 0.000 1.073 606 N CA 0.981 54.197 53.050 0.276 0.000 0.911 606 N CB -0.328 38.320 38.487 0.269 0.000 0.964 606 N HN 0.532 nan 8.380 nan 0.000 0.447 607 H N -2.416 116.756 119.070 0.171 0.000 3.003 607 H HA 0.439 4.995 4.556 0.000 0.000 0.327 607 H C -1.061 174.370 175.328 0.171 0.000 1.353 607 H CA -0.823 55.287 56.048 0.103 0.000 1.142 607 H CB 0.800 30.569 29.762 0.011 0.000 1.864 607 H HN 0.009 nan 8.280 nan 0.000 0.529 608 T N -1.532 113.154 114.554 0.219 0.000 2.950 608 T HA 0.231 4.581 4.350 0.000 0.000 0.288 608 T C 0.733 175.540 174.700 0.179 0.000 1.035 608 T CA -0.689 61.477 62.100 0.111 0.000 1.028 608 T CB 1.804 70.716 68.868 0.072 0.000 1.109 608 T HN 0.831 nan 8.240 nan 0.000 0.514 609 N N 0.370 119.098 118.700 0.047 0.000 2.223 609 N HA 0.012 4.752 4.740 0.000 0.000 0.185 609 N C 0.482 175.987 175.510 -0.008 0.000 1.016 609 N CA 0.923 53.989 53.050 0.027 0.000 0.863 609 N CB -0.027 38.394 38.487 -0.110 0.000 0.983 609 N HN 0.877 nan 8.380 nan 0.000 0.429 610 A N -0.847 121.955 122.820 -0.029 0.000 2.581 610 A HA 0.753 5.073 4.320 0.000 0.000 0.290 610 A C -1.561 176.029 177.584 0.011 0.000 1.119 610 A CA -0.142 51.880 52.037 -0.024 0.000 0.670 610 A CB 1.165 20.119 19.000 -0.076 0.000 1.280 610 A HN 0.271 nan 8.150 nan 0.000 0.425 611 A N -1.146 121.695 122.820 0.034 0.000 2.525 611 A HA 1.091 5.411 4.320 0.000 0.000 0.291 611 A C 0.512 178.147 177.584 0.085 0.000 1.268 611 A CA 0.080 52.173 52.037 0.094 0.000 0.712 611 A CB 0.536 19.617 19.000 0.136 0.000 1.320 611 A HN 2.986 nan 8.150 nan 0.000 0.456 612 G N -1.480 107.420 108.800 0.167 0.000 2.707 612 G HA2 0.026 3.986 3.960 0.000 0.000 0.686 612 G HA3 0.026 3.986 3.960 0.000 0.000 0.686 612 G C -2.244 172.572 174.900 -0.140 0.000 1.315 612 G CA -0.012 45.080 45.100 -0.013 0.000 0.832 612 G HN 0.873 nan 8.290 nan 0.000 0.573 613 P HA 0.079 nan 4.420 nan 0.000 0.255 613 P C 1.241 178.536 177.300 -0.007 0.000 1.248 613 P CA 1.827 64.851 63.100 -0.125 0.000 0.807 613 P CB 0.338 31.899 31.700 -0.231 0.000 1.150 614 T N -5.789 108.724 114.554 -0.068 0.000 3.019 614 T HA 0.075 4.425 4.350 0.000 0.000 0.247 614 T C 0.751 175.418 174.700 -0.056 0.000 0.992 614 T CA 0.003 62.081 62.100 -0.037 0.000 1.036 614 T CB -0.712 68.135 68.868 -0.035 0.000 1.063 614 T HN -0.132 nan 8.240 nan 0.000 0.476 615 D N 2.047 122.406 120.400 -0.068 0.000 2.493 615 D HA 0.014 4.654 4.640 0.000 0.000 0.240 615 D C 1.354 177.594 176.300 -0.099 0.000 1.142 615 D CA -0.052 53.900 54.000 -0.080 0.000 0.872 615 D CB 1.015 41.766 40.800 -0.081 0.000 1.173 615 D HN 0.272 nan 8.370 nan 0.000 0.467 616 R N 2.097 122.538 120.500 -0.098 0.000 2.119 616 R HA -0.198 4.142 4.340 0.000 0.000 0.246 616 R C 1.678 177.905 176.300 -0.121 0.000 1.146 616 R CA 2.130 58.179 56.100 -0.084 0.000 0.962 616 R CB -0.284 29.972 30.300 -0.073 0.000 0.863 616 R HN 0.552 nan 8.270 nan 0.000 0.442 617 T N -2.316 112.053 114.554 -0.308 0.000 3.107 617 T HA 0.079 4.429 4.350 0.000 0.000 0.249 617 T C 0.642 175.196 174.700 -0.243 0.000 1.096 617 T CA 0.070 61.809 62.100 -0.602 0.000 1.012 617 T CB 0.245 68.561 68.868 -0.921 0.000 0.977 617 T HN 0.080 nan 8.240 nan 0.000 0.527 618 S N 0.595 116.221 115.700 -0.123 0.000 2.422 618 S HA 0.399 4.869 4.470 0.000 0.000 0.283 618 S C 0.818 175.401 174.600 -0.027 0.000 1.163 618 S CA -0.708 57.458 58.200 -0.057 0.000 1.054 618 S CB 0.387 63.561 63.200 -0.043 0.000 0.967 618 S HN 0.256 nan 8.310 nan 0.000 0.499 619 V N 6.457 126.375 119.914 0.008 0.000 2.735 619 V HA 0.076 4.196 4.120 0.000 0.000 0.234 619 V C 2.141 178.264 176.094 0.048 0.000 1.121 619 V CA 0.538 62.853 62.300 0.024 0.000 1.160 619 V CB -0.841 30.984 31.823 0.004 0.000 0.908 619 V HN 0.777 nan 8.190 nan 0.000 0.495 620 L N 0.506 121.750 121.223 0.034 0.000 2.042 620 L HA -0.201 4.139 4.340 0.000 0.000 0.210 620 L C 2.150 179.177 176.870 0.262 0.000 1.076 620 L CA 2.108 56.967 54.840 0.031 0.000 0.749 620 L CB -0.492 41.442 42.059 -0.208 0.000 0.893 620 L HN 0.424 nan 8.230 nan 0.000 0.432 621 D N -0.437 120.100 120.400 0.229 0.000 2.371 621 D HA -0.108 4.532 4.640 0.000 0.000 0.221 621 D C 2.007 178.477 176.300 0.283 0.000 0.986 621 D CA 0.759 54.937 54.000 0.296 0.000 0.899 621 D CB 0.265 41.246 40.800 0.302 0.000 0.902 621 D HN 0.154 nan 8.370 nan 0.000 0.530 622 K N -0.701 119.803 120.400 0.173 0.000 2.202 622 K HA 0.141 4.461 4.320 0.000 0.000 0.201 622 K C 1.892 178.615 176.600 0.206 0.000 1.051 622 K CA 0.327 56.684 56.287 0.117 0.000 0.977 622 K CB 0.436 32.727 32.500 -0.348 0.000 0.792 622 K HN 0.190 nan 8.250 nan 0.000 0.469 623 I N 0.684 121.355 120.570 0.169 0.000 2.333 623 I HA -0.113 4.057 4.170 0.000 0.000 0.246 623 I C 0.462 176.644 176.117 0.110 0.000 1.106 623 I CA 0.856 62.250 61.300 0.158 0.000 1.411 623 I CB 0.485 38.589 38.000 0.174 0.000 1.082 623 I HN -0.192 nan 8.210 nan 0.000 0.420 624 V N 2.104 122.132 119.914 0.189 0.000 2.383 624 V HA 0.287 4.407 4.120 0.000 0.000 0.264 624 V C -2.505 173.659 176.094 0.116 0.000 1.001 624 V CA -1.478 60.851 62.300 0.049 0.000 0.828 624 V CB 0.462 32.243 31.823 -0.070 0.000 1.069 624 V HN -0.001 nan 8.190 nan 0.000 0.451 625 P HA 0.006 nan 4.420 nan 0.000 0.264 625 P C 0.052 177.400 177.300 0.081 0.000 1.183 625 P CA 0.514 63.483 63.100 -0.217 0.000 0.763 625 P CB 0.170 31.377 31.700 -0.821 0.000 0.807 626 W N 0.823 122.092 121.300 -0.052 0.000 3.207 626 W HA -0.244 4.416 4.660 0.000 0.000 0.291 626 W C 0.951 177.535 176.519 0.108 0.000 1.105 626 W CA 0.704 58.072 57.345 0.039 0.000 0.612 626 W CB -2.885 26.583 29.460 0.013 0.000 2.140 626 W HN 0.544 nan 8.180 nan 0.000 1.420 627 Y N -1.550 118.867 120.300 0.195 0.000 2.422 627 Y HA 0.073 4.623 4.550 0.000 0.000 0.291 627 Y C 2.114 178.103 175.900 0.148 0.000 1.144 627 Y CA 1.790 59.948 58.100 0.097 0.000 1.208 627 Y CB -0.770 37.624 38.460 -0.109 0.000 1.195 627 Y HN -0.103 nan 8.280 nan 0.000 0.535 628 Y N 0.888 121.344 120.300 0.260 0.000 2.544 628 Y HA 0.077 4.627 4.550 0.000 0.000 0.286 628 Y C 0.417 176.173 175.900 -0.239 0.000 1.141 628 Y CA 0.126 58.208 58.100 -0.029 0.000 1.299 628 Y CB -0.056 38.413 38.460 0.016 0.000 1.030 628 Y HN 0.048 nan 8.280 nan 0.000 0.543 629 Q N 0.529 120.357 119.800 0.046 0.000 2.266 629 Q HA 0.311 4.651 4.340 0.000 0.000 0.261 629 Q C -0.417 175.545 176.000 -0.064 0.000 0.985 629 Q CA -0.825 54.965 55.803 -0.021 0.000 0.873 629 Q CB 2.162 30.930 28.738 0.049 0.000 1.306 629 Q HN 0.217 nan 8.270 nan 0.000 0.447 630 R N 2.006 122.460 120.500 -0.077 0.000 2.308 630 R HA 0.490 4.830 4.340 0.000 0.000 0.305 630 R C -0.678 175.586 176.300 -0.060 0.000 1.053 630 R CA -0.122 55.938 56.100 -0.068 0.000 0.957 630 R CB 0.372 30.653 30.300 -0.032 0.000 1.022 630 R HN 0.518 nan 8.270 nan 0.000 0.461 631 L N 2.653 123.831 121.223 -0.075 0.000 2.322 631 L HA 0.380 4.720 4.340 0.000 0.000 0.269 631 L C 0.286 177.122 176.870 -0.056 0.000 1.012 631 L CA -1.201 53.555 54.840 -0.140 0.000 0.815 631 L CB 1.460 43.310 42.059 -0.349 0.000 1.295 631 L HN 0.655 nan 8.230 nan 0.000 0.438 632 N N 0.812 119.474 118.700 -0.064 0.000 2.492 632 N HA -0.036 4.704 4.740 0.000 0.000 0.262 632 N C 0.418 175.966 175.510 0.064 0.000 1.202 632 N CA -0.002 53.053 53.050 0.009 0.000 0.926 632 N CB 1.414 39.903 38.487 0.003 0.000 1.078 632 N HN 0.616 nan 8.380 nan 0.000 0.454 633 E N 1.691 121.982 120.200 0.152 0.000 2.267 633 E HA -0.109 4.241 4.350 0.000 0.000 0.197 633 E C 1.021 177.845 176.600 0.372 0.000 0.998 633 E CA 1.581 58.159 56.400 0.297 0.000 0.830 633 E CB 0.180 30.019 29.700 0.233 0.000 0.751 633 E HN 0.639 nan 8.360 nan 0.000 0.491 634 T N -1.296 113.386 114.554 0.213 0.000 3.045 634 T HA -0.041 4.309 4.350 0.000 0.000 0.239 634 T C 2.031 176.798 174.700 0.111 0.000 1.008 634 T CA 1.185 63.395 62.100 0.183 0.000 1.143 634 T CB -0.184 68.767 68.868 0.138 0.000 0.894 634 T HN 0.375 nan 8.240 nan 0.000 0.451 635 T N -0.772 113.821 114.554 0.064 0.000 3.035 635 T HA 0.349 4.699 4.350 0.000 0.000 0.259 635 T C 1.947 176.639 174.700 -0.013 0.000 1.078 635 T CA 1.123 63.250 62.100 0.045 0.000 1.132 635 T CB -0.276 68.617 68.868 0.041 0.000 0.900 635 T HN 0.570 nan 8.240 nan 0.000 0.480 636 G N 0.912 109.627 108.800 -0.142 0.000 2.157 636 G HA2 -0.245 3.715 3.960 0.000 0.000 0.248 636 G HA3 -0.245 3.715 3.960 0.000 0.000 0.248 636 G C 0.212 174.837 174.900 -0.459 0.000 0.979 636 G CA 0.149 44.951 45.100 -0.497 0.000 0.650 636 G HN 0.757 nan 8.290 nan 0.000 0.529 637 S N -0.306 115.297 115.700 -0.162 0.000 2.564 637 S HA 0.440 4.910 4.470 0.000 0.000 0.278 637 S C 0.869 175.405 174.600 -0.107 0.000 1.333 637 S CA -0.279 57.879 58.200 -0.071 0.000 1.048 637 S CB 1.877 65.074 63.200 -0.004 0.000 0.900 637 S HN 0.667 nan 8.310 nan 0.000 0.505 638 V N 3.931 123.814 119.914 -0.052 0.000 2.479 638 V HA 0.044 4.164 4.120 0.000 0.000 0.281 638 V C 0.831 176.913 176.094 -0.020 0.000 1.031 638 V CA 0.052 62.328 62.300 -0.040 0.000 1.038 638 V CB -0.079 31.757 31.823 0.021 0.000 0.981 638 V HN 0.796 nan 8.190 nan 0.000 0.478 639 E N 2.968 123.155 120.200 -0.022 0.000 2.404 639 E HA 0.182 4.532 4.350 0.000 0.000 0.261 639 E C 0.425 177.022 176.600 -0.004 0.000 1.074 639 E CA 0.343 56.742 56.400 -0.003 0.000 0.917 639 E CB 0.611 30.319 29.700 0.014 0.000 0.965 639 E HN 0.825 nan 8.360 nan 0.000 0.433 640 S N -0.154 115.541 115.700 -0.008 0.000 2.902 640 S HA 0.311 4.781 4.470 0.000 0.000 0.250 640 S C 0.981 175.555 174.600 -0.045 0.000 1.046 640 S CA -0.145 58.031 58.200 -0.040 0.000 1.069 640 S CB 0.788 63.963 63.200 -0.042 0.000 0.967 640 S HN 0.520 nan 8.310 nan 0.000 0.530 641 A N 2.332 125.157 122.820 0.008 0.000 2.019 641 A HA -0.036 4.284 4.320 0.000 0.000 0.219 641 A C 2.341 179.893 177.584 -0.052 0.000 1.164 641 A CA 1.929 54.005 52.037 0.065 0.000 0.644 641 A CB -1.329 17.820 19.000 0.249 0.000 0.805 641 A HN 0.802 nan 8.150 nan 0.000 0.449 642 T N -4.742 109.664 114.554 -0.247 0.000 2.985 642 T HA -0.024 4.326 4.350 0.000 0.000 0.266 642 T C 1.321 175.822 174.700 -0.331 0.000 1.076 642 T CA 1.743 63.581 62.100 -0.437 0.000 1.135 642 T CB -0.725 67.863 68.868 -0.466 0.000 0.890 642 T HN 1.601 nan 8.240 nan 0.000 0.480 643 C N -2.319 116.819 119.300 -0.269 0.000 6.247 643 C HA -0.010 4.450 4.460 0.000 0.000 0.209 643 C C 1.430 176.284 174.990 -0.227 0.000 1.118 643 C CA -0.622 58.254 59.018 -0.237 0.000 0.962 643 C CB -1.428 26.132 27.740 -0.301 0.000 2.317 643 C HN 0.635 nan 8.230 nan 0.000 0.701 644 C N 1.356 120.466 119.300 -0.316 0.000 3.341 644 C HA 0.738 5.198 4.460 0.000 0.000 0.084 644 C C 0.879 175.810 174.990 -0.098 0.000 2.358 644 C CA 0.672 59.563 59.018 -0.212 0.000 1.712 644 C CB -0.066 27.492 27.740 -0.303 0.000 2.847 644 C HN 0.647 nan 8.230 nan 0.000 0.400 645 S N 1.969 117.659 115.700 -0.016 0.000 2.512 645 S HA 0.293 4.763 4.470 0.000 0.000 0.291 645 S C -1.282 173.360 174.600 0.070 0.000 1.151 645 S CA -0.156 58.066 58.200 0.037 0.000 1.120 645 S CB -0.367 62.871 63.200 0.064 0.000 1.029 645 S HN 0.451 nan 8.310 nan 0.000 0.485 646 D N 3.280 123.696 120.400 0.026 0.000 2.533 646 D HA 0.071 4.711 4.640 0.000 0.000 0.236 646 D C 0.801 177.111 176.300 0.017 0.000 1.137 646 D CA 0.514 54.535 54.000 0.035 0.000 0.867 646 D CB 0.505 41.323 40.800 0.030 0.000 1.170 646 D HN 0.501 nan 8.370 nan 0.000 0.474 647 S N 0.528 116.234 115.700 0.009 0.000 2.707 647 S HA 0.696 5.167 4.470 0.000 0.000 0.276 647 S C -0.148 174.363 174.600 -0.147 0.000 1.179 647 S CA -0.946 57.169 58.200 -0.142 0.000 0.992 647 S CB 1.768 64.860 63.200 -0.179 0.000 1.030 647 S HN 0.448 nan 8.310 nan 0.000 0.554 648 A N 1.231 123.880 122.820 -0.286 0.000 2.938 648 A HA 0.617 4.938 4.320 0.000 0.000 0.344 648 A C -2.238 175.287 177.584 -0.098 0.000 1.142 648 A CA -1.611 50.240 52.037 -0.311 0.000 0.841 648 A CB 0.143 18.707 19.000 -0.727 0.000 1.083 648 A HN 0.624 nan 8.150 nan 0.000 0.479 649 P HA -0.183 nan 4.420 nan 0.000 0.225 649 P C 1.350 178.602 177.300 -0.081 0.000 1.148 649 P CA 1.168 64.328 63.100 0.100 0.000 0.779 649 P CB 0.324 31.910 31.700 -0.190 0.000 0.780 650 E N -1.593 118.471 120.200 -0.226 0.000 2.427 650 E HA -0.126 4.224 4.350 0.000 0.000 0.196 650 E C 0.016 176.660 176.600 0.074 0.000 1.028 650 E CA 0.731 57.008 56.400 -0.205 0.000 0.864 650 E CB -0.778 28.788 29.700 -0.223 0.000 0.813 650 E HN 0.340 nan 8.360 nan 0.000 0.514 651 H N 1.764 120.841 119.070 0.013 0.000 2.580 651 H HA 0.285 4.841 4.556 0.000 0.000 0.322 651 H C 1.105 176.507 175.328 0.124 0.000 1.082 651 H CA -0.449 55.607 56.048 0.013 0.000 1.383 651 H CB 1.064 30.621 29.762 -0.343 0.000 1.450 651 H HN 0.035 nan 8.280 nan 0.000 0.505 652 R N 1.852 122.507 120.500 0.257 0.000 2.113 652 R HA -0.161 4.179 4.340 0.000 0.000 0.244 652 R C 1.482 177.851 176.300 0.113 0.000 1.142 652 R CA 1.511 57.696 56.100 0.141 0.000 0.953 652 R CB 0.025 30.372 30.300 0.079 0.000 0.860 652 R HN 0.458 nan 8.270 nan 0.000 0.438 653 M N -0.835 118.857 119.600 0.153 0.000 2.492 653 M HA -0.052 4.429 4.480 0.000 0.000 0.262 653 M C 1.792 178.311 176.300 0.365 0.000 1.090 653 M CA 1.048 56.346 55.300 -0.004 0.000 1.110 653 M CB -0.445 31.761 32.600 -0.657 0.000 1.407 653 M HN 0.144 nan 8.290 nan 0.000 0.470 654 F N 0.630 120.791 119.950 0.352 0.000 2.317 654 F HA 0.061 4.588 4.527 0.000 0.000 0.293 654 F C 2.232 178.092 175.800 0.100 0.000 1.085 654 F CA 0.789 58.999 58.000 0.350 0.000 1.390 654 F CB 0.164 39.383 39.000 0.365 0.000 1.077 654 F HN 0.113 nan 8.300 nan 0.000 0.517 655 A N 0.592 123.420 122.820 0.014 0.000 1.933 655 A HA -0.251 4.069 4.320 0.000 0.000 0.218 655 A C 2.174 179.663 177.584 -0.158 0.000 1.175 655 A CA 1.978 53.934 52.037 -0.135 0.000 0.628 655 A CB -0.762 18.213 19.000 -0.042 0.000 0.814 655 A HN 0.463 nan 8.150 nan 0.000 0.444 656 K N -0.357 120.008 120.400 -0.059 0.000 2.057 656 K HA -0.053 4.267 4.320 0.000 0.000 0.206 656 K C 1.982 178.560 176.600 -0.037 0.000 1.050 656 K CA 1.350 57.622 56.287 -0.025 0.000 0.935 656 K CB -0.323 32.182 32.500 0.008 0.000 0.715 656 K HN 0.438 nan 8.250 nan 0.000 0.439 657 L N 1.073 122.263 121.223 -0.054 0.000 2.042 657 L HA -0.207 4.133 4.340 0.000 0.000 0.210 657 L C 2.043 178.659 176.870 -0.423 0.000 1.076 657 L CA 1.080 55.823 54.840 -0.161 0.000 0.749 657 L CB -0.242 41.774 42.059 -0.072 0.000 0.893 657 L HN 0.229 nan 8.230 nan 0.000 0.432 658 I N 0.534 120.705 120.570 -0.664 0.000 2.142 658 I HA -0.261 3.909 4.170 0.000 0.000 0.240 658 I C 2.906 178.681 176.117 -0.570 0.000 1.078 658 I CA 1.645 62.371 61.300 -0.957 0.000 1.343 658 I CB -2.104 35.275 38.000 -1.036 0.000 1.046 658 I HN 0.338 nan 8.210 nan 0.000 0.405 659 A N 0.677 123.310 122.820 -0.313 0.000 1.902 659 A HA -0.219 4.101 4.320 0.000 0.000 0.217 659 A C 2.001 179.549 177.584 -0.059 0.000 1.181 659 A CA 2.030 53.991 52.037 -0.127 0.000 0.623 659 A CB -0.704 18.270 19.000 -0.043 0.000 0.818 659 A HN 0.377 nan 8.150 nan 0.000 0.443 660 D N -0.689 119.691 120.400 -0.034 0.000 2.144 660 D HA -0.099 4.541 4.640 0.000 0.000 0.199 660 D C 2.253 178.564 176.300 0.018 0.000 0.984 660 D CA 1.483 55.524 54.000 0.068 0.000 0.834 660 D CB -0.311 40.631 40.800 0.236 0.000 0.955 660 D HN 0.415 nan 8.370 nan 0.000 0.465 661 S N -0.278 115.372 115.700 -0.084 0.000 2.355 661 S HA -0.063 4.407 4.470 0.000 0.000 0.222 661 S C 2.096 176.763 174.600 0.112 0.000 1.031 661 S CA 0.583 58.784 58.200 0.002 0.000 0.993 661 S CB -0.285 62.952 63.200 0.061 0.000 0.859 661 S HN 0.178 nan 8.310 nan 0.000 0.453 662 L N 1.182 122.410 121.223 0.009 0.000 2.131 662 L HA -0.086 4.254 4.340 0.000 0.000 0.210 662 L C 2.939 179.870 176.870 0.101 0.000 1.092 662 L CA 1.153 55.946 54.840 -0.079 0.000 0.759 662 L CB -0.699 41.174 42.059 -0.310 0.000 0.903 662 L HN 0.435 nan 8.230 nan 0.000 0.435 663 A N -0.378 122.500 122.820 0.097 0.000 1.933 663 A HA -0.143 4.177 4.320 0.000 0.000 0.218 663 A C 2.337 180.005 177.584 0.140 0.000 1.175 663 A CA 1.754 53.873 52.037 0.137 0.000 0.628 663 A CB -0.718 18.343 19.000 0.102 0.000 0.814 663 A HN 0.197 nan 8.150 nan 0.000 0.444 664 V N -2.131 117.815 119.914 0.053 0.000 2.307 664 V HA -0.274 3.846 4.120 0.000 0.000 0.245 664 V C 2.264 178.422 176.094 0.108 0.000 1.045 664 V CA 1.754 64.016 62.300 -0.063 0.000 1.024 664 V CB -1.065 30.554 31.823 -0.341 0.000 0.651 664 V HN 0.806 nan 8.190 nan 0.000 0.449 665 W N 0.298 121.794 121.300 0.327 0.000 2.363 665 W HA -0.169 4.491 4.660 0.000 0.000 0.296 665 W C 2.615 179.470 176.519 0.559 0.000 1.212 665 W CA 1.546 59.195 57.345 0.507 0.000 1.260 665 W CB -0.803 28.974 29.460 0.528 0.000 1.131 665 W HN 0.131 nan 8.180 nan 0.000 0.530 666 T N -0.577 114.405 114.554 0.714 0.000 2.668 666 T HA -0.166 4.184 4.350 0.000 0.000 0.262 666 T C 1.649 176.575 174.700 0.376 0.000 1.045 666 T CA 2.122 64.567 62.100 0.575 0.000 1.152 666 T CB -0.813 68.358 68.868 0.505 0.000 0.864 666 T HN 0.035 nan 8.240 nan 0.000 0.419 667 T N 2.049 116.766 114.554 0.272 0.000 2.732 667 T HA -0.068 4.282 4.350 0.000 0.000 0.261 667 T C 1.628 176.431 174.700 0.172 0.000 1.040 667 T CA 1.072 63.279 62.100 0.178 0.000 1.145 667 T CB -0.343 68.593 68.868 0.112 0.000 0.866 667 T HN 0.318 nan 8.240 nan 0.000 0.427 668 D N -0.221 120.241 120.400 0.103 0.000 2.289 668 D HA 0.027 4.667 4.640 0.000 0.000 0.207 668 D C 0.822 177.085 176.300 -0.062 0.000 0.966 668 D CA 0.854 54.814 54.000 -0.067 0.000 0.868 668 D CB 0.095 40.673 40.800 -0.370 0.000 0.943 668 D HN 0.456 nan 8.370 nan 0.000 0.514 669 Y N 0.191 120.744 120.300 0.421 0.000 2.500 669 Y HA 0.212 4.762 4.550 0.000 0.000 0.246 669 Y C 0.288 176.614 175.900 0.709 0.000 1.146 669 Y CA -0.440 58.038 58.100 0.631 0.000 1.230 669 Y CB 0.433 39.272 38.460 0.632 0.000 1.214 669 Y HN -0.287 nan 8.280 nan 0.000 0.526 670 K N 0.717 121.466 120.400 0.581 0.000 3.071 670 K HA -0.186 4.134 4.320 0.000 0.000 0.262 670 K C -0.697 176.073 176.600 0.282 0.000 0.977 670 K CA 0.185 56.651 56.287 0.298 0.000 0.721 670 K CB -1.425 31.055 32.500 -0.034 0.000 1.293 670 K HN 0.173 nan 8.250 nan 0.000 0.475 671 I N 1.339 122.125 120.570 0.360 0.000 2.529 671 I HA -0.024 4.146 4.170 0.000 0.000 0.284 671 I C 1.605 177.760 176.117 0.064 0.000 1.082 671 I CA 0.184 61.582 61.300 0.164 0.000 1.406 671 I CB 0.867 38.911 38.000 0.072 0.000 1.405 671 I HN 0.158 nan 8.210 nan 0.000 0.548 672 D N 4.102 124.514 120.400 0.019 0.000 2.305 672 D HA 0.141 4.781 4.640 0.000 0.000 0.206 672 D C 0.934 177.329 176.300 0.158 0.000 0.974 672 D CA 0.594 54.657 54.000 0.105 0.000 0.871 672 D CB 0.997 41.863 40.800 0.109 0.000 0.947 672 D HN 0.726 nan 8.370 nan 0.000 0.516 673 G N -0.344 108.431 108.800 -0.042 0.000 2.646 673 G HA2 0.493 4.453 3.960 0.000 0.000 0.291 673 G HA3 0.493 4.453 3.960 0.000 0.000 0.291 673 G C -1.844 172.836 174.900 -0.368 0.000 1.445 673 G CA -0.792 44.380 45.100 0.119 0.000 0.814 673 G HN -0.063 nan 8.290 nan 0.000 0.495 674 F N 0.300 120.365 119.950 0.192 0.000 2.556 674 F HA 0.673 5.200 4.527 0.000 0.000 0.314 674 F C 0.257 175.747 175.800 -0.516 0.000 1.106 674 F CA -1.023 56.825 58.000 -0.254 0.000 0.911 674 F CB 2.615 41.252 39.000 -0.605 0.000 1.190 674 F HN 0.249 nan 8.300 nan 0.000 0.448 675 R N 3.489 123.675 120.500 -0.522 0.000 2.288 675 R HA 0.385 4.725 4.340 0.000 0.000 0.326 675 R C -1.780 174.223 176.300 -0.495 0.000 0.959 675 R CA -0.640 54.975 56.100 -0.808 0.000 0.834 675 R CB 0.322 30.211 30.300 -0.686 0.000 1.157 675 R HN 0.540 nan 8.270 nan 0.000 0.470 676 F N 2.624 122.370 119.950 -0.341 0.000 2.444 676 F HA 0.118 4.645 4.527 0.000 0.000 0.360 676 F C 1.042 176.746 175.800 -0.161 0.000 1.106 676 F CA -0.333 57.528 58.000 -0.233 0.000 1.170 676 F CB 0.668 39.492 39.000 -0.294 0.000 1.113 676 F HN 0.444 nan 8.300 nan 0.000 0.521 677 D N 3.643 124.070 120.400 0.045 0.000 2.389 677 D HA 0.174 4.814 4.640 0.000 0.000 0.247 677 D C 0.380 176.728 176.300 0.079 0.000 1.128 677 D CA 0.034 54.052 54.000 0.031 0.000 0.884 677 D CB 0.550 41.425 40.800 0.124 0.000 1.194 677 D HN 0.581 nan 8.370 nan 0.000 0.441 678 L N 3.314 124.529 121.223 -0.013 0.000 3.879 678 L HA -0.263 4.077 4.340 0.000 0.000 0.481 678 L C 1.437 178.472 176.870 0.274 0.000 1.232 678 L CA 0.001 54.895 54.840 0.089 0.000 0.736 678 L CB -1.130 40.954 42.059 0.041 0.000 1.511 678 L HN 0.749 nan 8.230 nan 0.000 0.830 679 M N 0.564 120.246 119.600 0.136 0.000 2.279 679 M HA -0.157 4.323 4.480 0.000 0.000 0.264 679 M C 1.998 178.460 176.300 0.270 0.000 1.062 679 M CA 1.972 57.363 55.300 0.151 0.000 1.099 679 M CB 0.075 32.691 32.600 0.025 0.000 1.394 679 M HN 0.688 nan 8.290 nan 0.000 0.426 680 L N -2.525 118.861 121.223 0.271 0.000 2.622 680 L HA -0.057 4.283 4.340 0.000 0.000 0.233 680 L C 0.880 177.875 176.870 0.208 0.000 1.156 680 L CA 0.721 55.711 54.840 0.251 0.000 0.866 680 L CB -1.097 41.102 42.059 0.233 0.000 0.980 680 L HN 0.187 nan 8.230 nan 0.000 0.448 681 Y N -0.385 120.071 120.300 0.259 0.000 2.490 681 Y HA 0.164 4.714 4.550 0.000 0.000 0.281 681 Y C 0.475 176.509 175.900 0.223 0.000 1.174 681 Y CA -0.146 58.092 58.100 0.231 0.000 1.295 681 Y CB -0.170 38.378 38.460 0.148 0.000 1.062 681 Y HN 0.303 nan 8.280 nan 0.000 0.522 682 H N -0.616 118.609 119.070 0.259 0.000 2.499 682 H HA 0.315 4.872 4.556 0.000 0.000 0.340 682 H C -2.381 172.910 175.328 -0.061 0.000 1.148 682 H CA -2.502 53.566 56.048 0.033 0.000 1.215 682 H CB 0.984 30.712 29.762 -0.056 0.000 1.529 682 H HN -0.160 nan 8.280 nan 0.000 0.510 683 P HA 0.001 nan 4.420 nan 0.000 0.271 683 P C 0.661 177.922 177.300 -0.066 0.000 1.216 683 P CA -0.283 62.586 63.100 -0.384 0.000 0.776 683 P CB 1.025 32.299 31.700 -0.709 0.000 0.881 684 K N 3.467 123.893 120.400 0.044 0.000 2.044 684 K HA -0.245 4.076 4.320 0.000 0.000 0.210 684 K C 1.690 178.289 176.600 -0.000 0.000 1.049 684 K CA 2.025 58.331 56.287 0.032 0.000 0.927 684 K CB -0.644 31.892 32.500 0.060 0.000 0.713 684 K HN 0.444 nan 8.250 nan 0.000 0.443 685 A N 1.267 124.082 122.820 -0.009 0.000 1.978 685 A HA -0.215 4.106 4.320 0.000 0.000 0.220 685 A C 2.150 179.718 177.584 -0.028 0.000 1.170 685 A CA 1.580 53.610 52.037 -0.012 0.000 0.636 685 A CB -0.574 18.416 19.000 -0.018 0.000 0.810 685 A HN 0.524 nan 8.150 nan 0.000 0.448 686 Q N -0.297 119.461 119.800 -0.070 0.000 2.083 686 Q HA -0.106 4.234 4.340 0.000 0.000 0.198 686 Q C 1.966 177.931 176.000 -0.059 0.000 0.969 686 Q CA 1.211 56.971 55.803 -0.071 0.000 0.838 686 Q CB -0.206 28.468 28.738 -0.107 0.000 0.900 686 Q HN 0.561 nan 8.270 nan 0.000 0.436 687 I N 1.307 121.817 120.570 -0.099 0.000 2.226 687 I HA -0.275 3.895 4.170 0.000 0.000 0.245 687 I C 2.490 178.638 176.117 0.052 0.000 1.100 687 I CA 0.966 62.173 61.300 -0.155 0.000 1.374 687 I CB -1.161 36.672 38.000 -0.279 0.000 1.057 687 I HN 0.227 nan 8.210 nan 0.000 0.413 688 L N -0.223 121.038 121.223 0.064 0.000 2.056 688 L HA -0.196 4.144 4.340 0.000 0.000 0.207 688 L C 2.739 179.701 176.870 0.153 0.000 1.078 688 L CA 1.370 56.303 54.840 0.155 0.000 0.749 688 L CB -0.628 41.501 42.059 0.116 0.000 0.901 688 L HN 0.220 nan 8.230 nan 0.000 0.433 689 S N -0.204 115.545 115.700 0.082 0.000 2.368 689 S HA -0.170 4.300 4.470 0.000 0.000 0.225 689 S C 2.135 176.788 174.600 0.087 0.000 1.030 689 S CA 1.234 59.469 58.200 0.058 0.000 0.999 689 S CB -0.069 63.144 63.200 0.022 0.000 0.844 689 S HN 0.431 nan 8.310 nan 0.000 0.459 690 A N 0.193 123.091 122.820 0.129 0.000 1.902 690 A HA -0.104 4.216 4.320 0.000 0.000 0.217 690 A C 1.885 179.662 177.584 0.321 0.000 1.181 690 A CA 1.595 53.759 52.037 0.211 0.000 0.623 690 A CB -1.193 17.948 19.000 0.235 0.000 0.818 690 A HN 0.813 nan 8.150 nan 0.000 0.443 691 W N 0.987 122.304 121.300 0.027 0.000 2.388 691 W HA -0.097 4.563 4.660 0.000 0.000 0.294 691 W C 1.968 178.353 176.519 -0.223 0.000 1.212 691 W CA 1.554 58.641 57.345 -0.431 0.000 1.271 691 W CB -0.406 28.744 29.460 -0.516 0.000 1.126 691 W HN 0.520 nan 8.180 nan 0.000 0.535 692 E N -0.540 119.625 120.200 -0.058 0.000 2.085 692 E HA -0.238 4.112 4.350 0.000 0.000 0.194 692 E C 2.290 178.819 176.600 -0.118 0.000 0.994 692 E CA 1.243 57.547 56.400 -0.161 0.000 0.801 692 E CB -0.171 29.491 29.700 -0.063 0.000 0.743 692 E HN 0.014 nan 8.360 nan 0.000 0.453 693 R N 0.400 120.884 120.500 -0.026 0.000 2.075 693 R HA -0.075 4.265 4.340 0.000 0.000 0.232 693 R C 2.213 178.523 176.300 0.016 0.000 1.126 693 R CA 0.846 56.949 56.100 0.005 0.000 0.963 693 R CB -0.451 29.875 30.300 0.044 0.000 0.858 693 R HN 0.242 nan 8.270 nan 0.000 0.435 694 I N 1.123 121.723 120.570 0.050 0.000 2.439 694 I HA -0.162 4.008 4.170 0.000 0.000 0.251 694 I C 1.942 178.065 176.117 0.011 0.000 1.139 694 I CA 1.000 62.364 61.300 0.108 0.000 1.438 694 I CB -0.769 37.412 38.000 0.301 0.000 1.085 694 I HN 0.104 nan 8.210 nan 0.000 0.427 695 K N 0.951 121.247 120.400 -0.174 0.000 2.280 695 K HA -0.068 4.252 4.320 0.000 0.000 0.202 695 K C 2.087 178.616 176.600 -0.118 0.000 1.047 695 K CA 1.197 57.344 56.287 -0.234 0.000 0.942 695 K CB -0.045 32.149 32.500 -0.510 0.000 0.739 695 K HN 0.276 nan 8.250 nan 0.000 0.457 696 A N 0.803 123.573 122.820 -0.082 0.000 2.067 696 A HA -0.061 4.259 4.320 0.000 0.000 0.219 696 A C 1.907 179.489 177.584 -0.004 0.000 1.158 696 A CA 1.034 53.045 52.037 -0.043 0.000 0.661 696 A CB -0.224 18.758 19.000 -0.031 0.000 0.801 696 A HN 0.143 nan 8.150 nan 0.000 0.452 697 L N -1.480 119.759 121.223 0.027 0.000 2.221 697 L HA 0.145 4.485 4.340 0.000 0.000 0.202 697 L C 0.643 177.556 176.870 0.071 0.000 1.074 697 L CA 0.413 55.289 54.840 0.061 0.000 0.795 697 L CB 0.007 42.126 42.059 0.101 0.000 0.960 697 L HN 0.333 nan 8.230 nan 0.000 0.458 698 N N 0.052 118.803 118.700 0.086 0.000 2.577 698 N HA 0.172 4.912 4.740 0.000 0.000 0.275 698 N C -2.165 173.383 175.510 0.063 0.000 1.091 698 N CA -1.804 51.306 53.050 0.100 0.000 0.843 698 N CB 1.813 40.407 38.487 0.178 0.000 1.295 698 N HN -0.183 nan 8.380 nan 0.000 0.530 699 P HA -0.017 nan 4.420 nan 0.000 0.225 699 P C -0.268 177.043 177.300 0.019 0.000 1.148 699 P CA 1.038 64.123 63.100 -0.026 0.000 0.779 699 P CB 0.566 32.251 31.700 -0.025 0.000 0.780 700 D N -0.819 119.638 120.400 0.095 0.000 2.402 700 D HA 0.130 4.770 4.640 0.000 0.000 0.216 700 D C 0.717 177.185 176.300 0.280 0.000 1.128 700 D CA -0.608 53.490 54.000 0.163 0.000 0.833 700 D CB -0.228 40.650 40.800 0.130 0.000 0.971 700 D HN 0.168 nan 8.370 nan 0.000 0.503 701 I N 1.210 121.971 120.570 0.318 0.000 2.752 701 I HA -0.030 4.140 4.170 0.000 0.000 0.287 701 I C -0.653 175.874 176.117 0.683 0.000 1.188 701 I CA -0.014 61.578 61.300 0.486 0.000 1.427 701 I CB 0.250 38.569 38.000 0.531 0.000 1.365 701 I HN -0.113 nan 8.210 nan 0.000 0.585 702 Y N 7.704 128.330 120.300 0.544 0.000 2.364 702 Y HA 0.570 5.120 4.550 0.000 0.000 0.340 702 Y C -1.438 174.913 175.900 0.751 0.000 0.975 702 Y CA -0.993 57.403 58.100 0.493 0.000 1.089 702 Y CB 0.857 39.494 38.460 0.296 0.000 1.192 702 Y HN 0.363 nan 8.280 nan 0.000 0.454 703 F N 7.680 127.362 119.950 -0.447 0.000 2.495 703 F HA 0.589 5.116 4.527 0.000 0.000 0.327 703 F C -0.803 174.746 175.800 -0.418 0.000 1.103 703 F CA -1.523 56.328 58.000 -0.249 0.000 0.949 703 F CB 1.170 39.969 39.000 -0.335 0.000 1.142 703 F HN 0.422 nan 8.300 nan 0.000 0.457 704 F N -0.154 119.710 119.950 -0.142 0.000 2.741 704 F HA 0.953 5.480 4.527 0.000 0.000 0.313 704 F C -0.604 175.303 175.800 0.177 0.000 1.153 704 F CA -1.625 56.315 58.000 -0.100 0.000 0.931 704 F CB 1.449 40.338 39.000 -0.186 0.000 1.335 704 F HN 0.688 nan 8.300 nan 0.000 0.460 705 G N -0.202 108.756 108.800 0.263 0.000 2.548 705 G HA2 0.525 4.485 3.960 0.000 0.000 0.301 705 G HA3 0.525 4.485 3.960 0.000 0.000 0.301 705 G C -2.450 172.641 174.900 0.319 0.000 1.349 705 G CA -0.580 44.644 45.100 0.206 0.000 0.792 705 G HN 1.077 nan 8.290 nan 0.000 0.481 706 E N -1.906 118.224 120.200 -0.116 0.000 2.449 706 E HA 0.684 5.035 4.350 0.000 0.000 0.278 706 E C 0.252 176.194 176.600 -1.097 0.000 0.992 706 E CA -0.070 55.852 56.400 -0.797 0.000 0.807 706 E CB 1.752 31.046 29.700 -0.677 0.000 1.350 706 E HN 1.378 nan 8.360 nan 0.000 0.462 707 G N 0.472 108.171 108.800 -1.835 0.000 2.684 707 G HA2 -0.053 3.907 3.960 0.000 0.000 0.107 707 G HA3 -0.053 3.907 3.960 0.000 0.000 0.107 707 G C -0.763 173.852 174.900 -0.475 0.000 1.201 707 G CA 0.174 44.804 45.100 -0.784 0.000 1.113 707 G HN 0.797 nan 8.290 nan 0.000 0.356 708 W N 1.147 122.505 121.300 0.096 0.000 2.303 708 W HA -0.187 4.473 4.660 0.000 0.000 0.267 708 W C 0.990 177.561 176.519 0.086 0.000 1.054 708 W CA 0.594 57.985 57.345 0.077 0.000 0.501 708 W CB -1.186 28.334 29.460 0.100 0.000 2.076 708 W HN 0.639 nan 8.180 nan 0.000 1.317 709 D N 0.328 120.887 120.400 0.265 0.000 2.500 709 D HA 0.046 4.686 4.640 0.000 0.000 0.217 709 D C 0.603 176.943 176.300 0.067 0.000 1.159 709 D CA 0.603 54.719 54.000 0.192 0.000 0.828 709 D CB 0.105 41.041 40.800 0.227 0.000 1.039 709 D HN -0.008 nan 8.370 nan 0.000 0.512 710 S N 0.647 116.303 115.700 -0.073 0.000 2.533 710 S HA 0.052 4.522 4.470 0.000 0.000 0.282 710 S C 0.387 174.827 174.600 -0.266 0.000 1.304 710 S CA -0.241 57.686 58.200 -0.455 0.000 1.063 710 S CB 0.429 63.230 63.200 -0.665 0.000 0.881 710 S HN 0.234 nan 8.310 nan 0.000 0.493 711 N N 2.805 121.335 118.700 -0.283 0.000 2.538 711 N HA 0.227 4.967 4.740 0.000 0.000 0.291 711 N C 0.232 175.587 175.510 -0.258 0.000 1.323 711 N CA -0.325 52.613 53.050 -0.188 0.000 0.934 711 N CB 0.263 38.687 38.487 -0.105 0.000 1.255 711 N HN 0.515 nan 8.380 nan 0.000 0.509 712 Q N -0.771 118.802 119.800 -0.379 0.000 2.220 712 Q HA 0.252 4.592 4.340 0.000 0.000 0.205 712 Q C 0.911 176.521 176.000 -0.649 0.000 0.865 712 Q CA 0.048 55.528 55.803 -0.540 0.000 0.960 712 Q CB 0.335 28.678 28.738 -0.658 0.000 1.097 712 Q HN 0.272 nan 8.270 nan 0.000 0.493 713 S N 2.116 117.586 115.700 -0.384 0.000 2.442 713 S HA -0.132 4.338 4.470 0.000 0.000 0.236 713 S C 1.411 175.862 174.600 -0.249 0.000 1.007 713 S CA 1.389 59.420 58.200 -0.282 0.000 0.965 713 S CB -0.033 63.077 63.200 -0.149 0.000 0.773 713 S HN 0.571 nan 8.310 nan 0.000 0.504 714 D N 0.976 121.226 120.400 -0.249 0.000 2.277 714 D HA -0.093 4.547 4.640 0.000 0.000 0.208 714 D C 1.657 177.850 176.300 -0.178 0.000 0.962 714 D CA 0.578 54.487 54.000 -0.152 0.000 0.865 714 D CB -0.163 40.581 40.800 -0.093 0.000 0.939 714 D HN 0.350 nan 8.370 nan 0.000 0.510 715 R N -0.569 119.679 120.500 -0.420 0.000 2.206 715 R HA 0.214 4.554 4.340 0.000 0.000 0.198 715 R C 0.019 176.249 176.300 -0.117 0.000 0.986 715 R CA 0.387 56.234 56.100 -0.423 0.000 1.029 715 R CB 0.384 30.281 30.300 -0.671 0.000 0.966 715 R HN 0.257 nan 8.270 nan 0.000 0.487 716 F N -1.977 117.940 119.950 -0.055 0.000 2.799 716 F HA 0.281 4.808 4.527 0.000 0.000 0.316 716 F C -1.204 174.581 175.800 -0.026 0.000 1.155 716 F CA -1.673 56.310 58.000 -0.029 0.000 0.916 716 F CB 0.837 39.820 39.000 -0.029 0.000 1.294 716 F HN -0.311 nan 8.300 nan 0.000 0.447 717 E N 2.991 123.366 120.200 0.292 0.000 2.265 717 E HA 0.343 4.693 4.350 0.000 0.000 0.272 717 E C -0.140 176.653 176.600 0.320 0.000 1.067 717 E CA -0.450 56.062 56.400 0.187 0.000 0.900 717 E CB 0.480 30.252 29.700 0.121 0.000 1.017 717 E HN 0.646 nan 8.360 nan 0.000 0.431 718 I N 0.941 121.641 120.570 0.216 0.000 2.764 718 I HA 0.355 4.525 4.170 0.000 0.000 0.294 718 I C 0.204 176.427 176.117 0.175 0.000 1.045 718 I CA -0.738 60.722 61.300 0.266 0.000 1.340 718 I CB 1.352 39.424 38.000 0.120 0.000 1.436 718 I HN 0.441 nan 8.210 nan 0.000 0.567 719 A N 4.738 127.669 122.820 0.185 0.000 3.037 719 A HA 0.398 4.718 4.320 0.000 0.000 0.272 719 A C 0.580 178.273 177.584 0.182 0.000 1.723 719 A CA -0.170 51.944 52.037 0.128 0.000 1.413 719 A CB -1.361 17.684 19.000 0.075 0.000 1.112 719 A HN 0.850 nan 8.150 nan 0.000 0.606 720 S N 0.425 116.202 115.700 0.127 0.000 2.745 720 S HA 0.359 4.829 4.470 0.000 0.000 0.292 720 S C 0.861 175.384 174.600 -0.128 0.000 1.133 720 S CA -0.527 57.734 58.200 0.100 0.000 0.998 720 S CB 0.726 63.938 63.200 0.021 0.000 1.087 720 S HN 0.570 nan 8.310 nan 0.000 0.551 721 Q N -0.410 119.067 119.800 -0.538 0.000 2.061 721 Q HA -0.104 4.236 4.340 0.000 0.000 0.204 721 Q C 1.846 177.494 176.000 -0.587 0.000 0.984 721 Q CA 1.577 56.824 55.803 -0.927 0.000 0.846 721 Q CB -0.405 27.246 28.738 -1.810 0.000 0.902 721 Q HN 0.647 nan 8.270 nan 0.000 0.421 722 I N 1.178 121.509 120.570 -0.397 0.000 2.163 722 I HA -0.218 3.952 4.170 0.000 0.000 0.240 722 I C 1.664 177.742 176.117 -0.065 0.000 1.081 722 I CA 1.220 62.420 61.300 -0.166 0.000 1.353 722 I CB -1.372 36.565 38.000 -0.105 0.000 1.054 722 I HN 0.238 nan 8.210 nan 0.000 0.407 723 N N 0.962 119.631 118.700 -0.051 0.000 2.381 723 N HA -0.075 4.665 4.740 0.000 0.000 0.182 723 N C 1.769 177.288 175.510 0.014 0.000 1.025 723 N CA 0.790 53.839 53.050 -0.001 0.000 0.888 723 N CB -0.161 38.338 38.487 0.020 0.000 0.965 723 N HN 0.380 nan 8.380 nan 0.000 0.438 724 L N 0.447 121.670 121.223 0.001 0.000 2.591 724 L HA 0.099 4.439 4.340 0.000 0.000 0.228 724 L C 0.929 177.829 176.870 0.051 0.000 1.133 724 L CA -0.087 54.768 54.840 0.025 0.000 0.880 724 L CB -0.064 42.009 42.059 0.024 0.000 1.033 724 L HN 0.003 nan 8.230 nan 0.000 0.450 725 K N 1.133 121.569 120.400 0.060 0.000 2.491 725 K HA 0.034 4.354 4.320 0.000 0.000 0.279 725 K C 1.186 177.834 176.600 0.080 0.000 1.026 725 K CA 0.978 57.322 56.287 0.095 0.000 1.070 725 K CB 0.226 32.784 32.500 0.096 0.000 0.887 725 K HN 0.246 nan 8.250 nan 0.000 0.481 726 G N 2.581 111.433 108.800 0.086 0.000 2.184 726 G HA2 -0.353 3.607 3.960 0.000 0.000 0.264 726 G HA3 -0.353 3.607 3.960 0.000 0.000 0.264 726 G C 0.730 175.688 174.900 0.096 0.000 0.975 726 G CA 0.962 46.112 45.100 0.084 0.000 0.642 726 G HN 0.802 nan 8.290 nan 0.000 0.536 727 T N -2.580 112.029 114.554 0.091 0.000 3.043 727 T HA 0.407 4.757 4.350 0.000 0.000 0.263 727 T C 2.513 177.293 174.700 0.133 0.000 1.094 727 T CA 1.823 63.990 62.100 0.112 0.000 1.127 727 T CB 0.161 69.073 68.868 0.074 0.000 0.905 727 T HN 2.223 nan 8.240 nan 0.000 0.490 728 G N 1.168 110.012 108.800 0.074 0.000 2.176 728 G HA2 -0.151 3.809 3.960 0.000 0.000 0.232 728 G HA3 -0.151 3.809 3.960 0.000 0.000 0.232 728 G C -0.044 174.719 174.900 -0.228 0.000 0.986 728 G CA -0.070 45.061 45.100 0.051 0.000 0.643 728 G HN 0.544 nan 8.290 nan 0.000 0.522 729 I N 2.256 122.674 120.570 -0.253 0.000 2.342 729 I HA 0.490 4.660 4.170 0.000 0.000 0.291 729 I C 1.359 177.426 176.117 -0.082 0.000 1.010 729 I CA -0.157 60.948 61.300 -0.324 0.000 1.308 729 I CB 0.571 38.435 38.000 -0.227 0.000 1.400 729 I HN 0.141 nan 8.210 nan 0.000 0.488 730 G N 4.638 113.390 108.800 -0.080 0.000 2.539 730 G HA2 0.557 4.517 3.960 0.000 0.000 0.258 730 G HA3 0.557 4.517 3.960 0.000 0.000 0.258 730 G C -0.284 174.763 174.900 0.246 0.000 1.202 730 G CA -0.138 45.042 45.100 0.133 0.000 0.851 730 G HN 0.688 nan 8.290 nan 0.000 0.556 731 T N -1.762 112.970 114.554 0.296 0.000 2.933 731 T HA 0.533 4.883 4.350 0.000 0.000 0.305 731 T C -0.623 174.373 174.700 0.494 0.000 1.092 731 T CA -0.801 61.597 62.100 0.498 0.000 1.008 731 T CB 1.236 70.359 68.868 0.424 0.000 1.102 731 T HN 0.237 nan 8.240 nan 0.000 0.469 732 F N 2.085 122.407 119.950 0.620 0.000 2.538 732 F HA 0.423 4.950 4.527 0.000 0.000 0.371 732 F C 1.417 177.602 175.800 0.642 0.000 1.087 732 F CA 0.204 58.503 58.000 0.498 0.000 1.250 732 F CB 0.968 40.130 39.000 0.271 0.000 1.110 732 F HN 0.677 nan 8.300 nan 0.000 0.570 733 S N 2.208 118.261 115.700 0.589 0.000 2.457 733 S HA 0.191 4.661 4.470 0.000 0.000 0.289 733 S C 0.404 175.177 174.600 0.289 0.000 1.163 733 S CA -1.002 57.421 58.200 0.371 0.000 1.078 733 S CB 0.483 63.764 63.200 0.135 0.000 0.987 733 S HN 0.606 nan 8.310 nan 0.000 0.482 734 D N 4.167 124.668 120.400 0.170 0.000 2.349 734 D HA 0.111 4.751 4.640 0.000 0.000 0.214 734 D C 1.400 177.565 176.300 -0.225 0.000 1.063 734 D CA 0.009 54.051 54.000 0.070 0.000 0.847 734 D CB 0.050 41.031 40.800 0.302 0.000 0.933 734 D HN 0.296 nan 8.370 nan 0.000 0.513 735 R N 0.635 120.868 120.500 -0.445 0.000 2.070 735 R HA 0.130 4.470 4.340 0.000 0.000 0.227 735 R C 2.284 178.441 176.300 -0.238 0.000 1.147 735 R CA 0.792 56.544 56.100 -0.580 0.000 0.924 735 R CB -1.201 28.801 30.300 -0.497 0.000 0.827 735 R HN 0.234 nan 8.270 nan 0.000 0.431 736 L N 0.834 121.948 121.223 -0.182 0.000 2.083 736 L HA -0.164 4.176 4.340 0.000 0.000 0.209 736 L C 2.564 179.366 176.870 -0.114 0.000 1.083 736 L CA 1.470 56.236 54.840 -0.123 0.000 0.752 736 L CB -0.225 41.776 42.059 -0.096 0.000 0.899 736 L HN 0.163 nan 8.230 nan 0.000 0.433 737 R N -0.064 120.329 120.500 -0.178 0.000 2.115 737 R HA -0.246 4.094 4.340 0.000 0.000 0.239 737 R C 1.834 178.066 176.300 -0.115 0.000 1.133 737 R CA 2.540 58.487 56.100 -0.255 0.000 0.935 737 R CB -0.498 29.497 30.300 -0.507 0.000 0.853 737 R HN 0.436 nan 8.270 nan 0.000 0.433 738 D N -0.041 120.335 120.400 -0.040 0.000 2.144 738 D HA -0.084 4.556 4.640 0.000 0.000 0.200 738 D C 1.760 178.086 176.300 0.044 0.000 0.978 738 D CA 1.464 55.493 54.000 0.049 0.000 0.833 738 D CB -0.323 40.591 40.800 0.190 0.000 0.961 738 D HN 0.434 nan 8.370 nan 0.000 0.470 739 A N 0.401 123.234 122.820 0.022 0.000 1.902 739 A HA -0.134 4.186 4.320 0.000 0.000 0.217 739 A C 2.444 180.031 177.584 0.006 0.000 1.181 739 A CA 1.334 53.373 52.037 0.004 0.000 0.623 739 A CB -0.576 18.395 19.000 -0.048 0.000 0.818 739 A HN 0.167 nan 8.150 nan 0.000 0.443 740 V N -0.723 119.190 119.914 -0.003 0.000 2.446 740 V HA -0.114 4.006 4.120 0.000 0.000 0.244 740 V C 2.550 178.663 176.094 0.030 0.000 1.039 740 V CA 1.820 64.130 62.300 0.017 0.000 1.045 740 V CB -0.691 31.139 31.823 0.012 0.000 0.681 740 V HN 0.481 nan 8.190 nan 0.000 0.459 741 R N 0.161 120.672 120.500 0.019 0.000 2.090 741 R HA 0.278 4.618 4.340 0.000 0.000 0.228 741 R C 1.014 177.338 176.300 0.041 0.000 1.110 741 R CA 0.842 56.961 56.100 0.033 0.000 0.973 741 R CB -0.129 30.186 30.300 0.026 0.000 0.869 741 R HN 0.583 nan 8.270 nan 0.000 0.440 742 G N -0.525 108.298 108.800 0.038 0.000 2.788 742 G HA2 0.209 4.169 3.960 0.000 0.000 0.686 742 G HA3 0.209 4.169 3.960 0.000 0.000 0.686 742 G C 0.170 175.095 174.900 0.040 0.000 1.147 742 G CA -0.502 44.624 45.100 0.043 0.000 0.755 742 G HN 0.608 nan 8.290 nan 0.000 0.634 743 G N 0.057 108.882 108.800 0.042 0.000 2.601 743 G HA2 0.502 4.462 3.960 0.000 0.000 0.261 743 G HA3 0.502 4.462 3.960 0.000 0.000 0.261 743 G C 1.085 176.007 174.900 0.037 0.000 1.289 743 G CA 1.035 46.156 45.100 0.034 0.000 0.920 743 G HN 2.817 nan 8.290 nan 0.000 0.571 744 G N -1.823 106.989 108.800 0.021 0.000 2.694 744 G HA2 0.795 4.755 3.960 0.000 0.000 0.290 744 G HA3 0.795 4.755 3.960 0.000 0.000 0.290 744 G C -1.222 173.635 174.900 -0.073 0.000 1.386 744 G CA 0.205 45.298 45.100 -0.011 0.000 0.872 744 G HN 0.688 nan 8.290 nan 0.000 0.475 745 P HA -0.076 nan 4.420 nan 0.000 0.221 745 P C 0.802 177.967 177.300 -0.224 0.000 1.145 745 P CA 0.925 63.866 63.100 -0.266 0.000 0.795 745 P CB 0.104 31.552 31.700 -0.420 0.000 0.775 746 F N -0.089 119.879 119.950 0.029 0.000 2.789 746 F HA 0.128 4.655 4.527 0.000 0.000 0.300 746 F C 0.963 176.759 175.800 -0.006 0.000 1.132 746 F CA -0.654 57.353 58.000 0.012 0.000 1.404 746 F CB -1.104 37.902 39.000 0.010 0.000 1.114 746 F HN -0.175 nan 8.300 nan 0.000 0.584 747 D N 0.927 121.398 120.400 0.118 0.000 2.443 747 D HA 0.242 4.882 4.640 0.000 0.000 0.239 747 D C 0.531 176.831 176.300 -0.000 0.000 1.136 747 D CA 0.458 54.483 54.000 0.041 0.000 0.879 747 D CB 0.912 41.705 40.800 -0.011 0.000 1.195 747 D HN 0.183 nan 8.370 nan 0.000 0.443 748 S N -0.331 115.350 115.700 -0.031 0.000 2.570 748 S HA 0.735 5.205 4.470 0.000 0.000 0.270 748 S C 0.361 174.910 174.600 -0.086 0.000 1.149 748 S CA -0.073 58.091 58.200 -0.059 0.000 0.837 748 S CB 1.897 65.086 63.200 -0.018 0.000 1.124 748 S HN 0.821 nan 8.310 nan 0.000 0.465 749 G N 2.011 110.749 108.800 -0.103 0.000 2.552 749 G HA2 -0.270 3.690 3.960 0.000 0.000 0.265 749 G HA3 -0.270 3.690 3.960 0.000 0.000 0.265 749 G C 0.161 174.989 174.900 -0.119 0.000 1.234 749 G CA 0.663 45.709 45.100 -0.089 0.000 0.944 749 G HN 0.820 nan 8.290 nan 0.000 0.568 750 D N 0.702 121.057 120.400 -0.075 0.000 2.221 750 D HA 0.042 4.682 4.640 0.000 0.000 0.204 750 D C 2.701 178.954 176.300 -0.079 0.000 0.982 750 D CA 1.892 55.851 54.000 -0.068 0.000 0.857 750 D CB -0.677 40.102 40.800 -0.036 0.000 0.934 750 D HN 0.848 nan 8.370 nan 0.000 0.475 751 A N 0.668 123.442 122.820 -0.077 0.000 1.978 751 A HA -0.136 4.184 4.320 0.000 0.000 0.220 751 A C 2.328 179.851 177.584 -0.100 0.000 1.170 751 A CA 0.751 52.749 52.037 -0.064 0.000 0.636 751 A CB -0.695 18.280 19.000 -0.042 0.000 0.810 751 A HN 0.234 nan 8.150 nan 0.000 0.448 752 L N -1.471 119.634 121.223 -0.196 0.000 2.131 752 L HA -0.163 4.177 4.340 0.000 0.000 0.210 752 L C 2.751 179.493 176.870 -0.214 0.000 1.092 752 L CA 1.791 56.438 54.840 -0.322 0.000 0.759 752 L CB -0.304 41.283 42.059 -0.787 0.000 0.903 752 L HN 0.489 nan 8.230 nan 0.000 0.435 753 R N -0.552 119.864 120.500 -0.139 0.000 2.146 753 R HA -0.042 4.298 4.340 0.000 0.000 0.206 753 R C 2.267 178.563 176.300 -0.008 0.000 1.049 753 R CA 0.426 56.510 56.100 -0.027 0.000 1.029 753 R CB 0.097 30.398 30.300 0.001 0.000 0.949 753 R HN 0.325 nan 8.270 nan 0.000 0.471 754 Q N 0.421 120.209 119.800 -0.020 0.000 2.084 754 Q HA -0.074 4.266 4.340 0.000 0.000 0.202 754 Q C 0.050 176.053 176.000 0.006 0.000 0.978 754 Q CA 0.925 56.726 55.803 -0.004 0.000 0.844 754 Q CB -0.067 28.666 28.738 -0.008 0.000 0.898 754 Q HN 0.220 nan 8.270 nan 0.000 0.426 755 N N 2.435 121.135 118.700 -0.000 0.000 2.971 755 N HA 0.038 4.778 4.740 0.000 0.000 0.294 755 N C -0.741 174.785 175.510 0.027 0.000 1.210 755 N CA 0.367 53.426 53.050 0.014 0.000 1.157 755 N CB 0.148 38.641 38.487 0.010 0.000 1.450 755 N HN 0.299 nan 8.380 nan 0.000 0.527 756 Q N -0.228 119.593 119.800 0.034 0.000 2.454 756 Q HA 0.407 4.747 4.340 0.000 0.000 0.247 756 Q C 0.884 176.914 176.000 0.051 0.000 1.028 756 Q CA -0.115 55.714 55.803 0.044 0.000 0.910 756 Q CB 0.891 29.660 28.738 0.051 0.000 1.276 756 Q HN 0.473 nan 8.270 nan 0.000 0.489 757 G N -0.537 108.296 108.800 0.055 0.000 2.735 757 G HA2 0.345 4.305 3.960 0.000 0.000 0.301 757 G HA3 0.345 4.305 3.960 0.000 0.000 0.301 757 G C 0.566 175.512 174.900 0.077 0.000 1.279 757 G CA -0.706 44.428 45.100 0.057 0.000 1.019 757 G HN 0.463 nan 8.290 nan 0.000 0.497 758 V N 0.798 120.753 119.914 0.069 0.000 2.469 758 V HA -0.090 4.030 4.120 0.000 0.000 0.251 758 V C 2.894 179.081 176.094 0.154 0.000 1.064 758 V CA 2.506 64.859 62.300 0.089 0.000 1.066 758 V CB -0.693 31.161 31.823 0.050 0.000 0.667 758 V HN 0.832 nan 8.190 nan 0.000 0.461 759 G N -0.242 108.632 108.800 0.123 0.000 2.534 759 G HA2 -0.125 3.836 3.960 0.000 0.000 0.217 759 G HA3 -0.125 3.836 3.960 0.000 0.000 0.217 759 G C 1.315 176.274 174.900 0.098 0.000 1.128 759 G CA 0.965 46.149 45.100 0.140 0.000 0.784 759 G HN 0.670 nan 8.290 nan 0.000 0.542 760 S N -1.136 114.613 115.700 0.081 0.000 2.601 760 S HA 0.460 4.930 4.470 0.000 0.000 0.244 760 S C 1.249 175.911 174.600 0.103 0.000 1.001 760 S CA 0.499 58.702 58.200 0.005 0.000 0.984 760 S CB 0.382 63.573 63.200 -0.015 0.000 0.842 760 S HN 1.335 nan 8.310 nan 0.000 0.474 761 G N 1.096 110.074 108.800 0.296 0.000 2.165 761 G HA2 -0.035 3.925 3.960 0.000 0.000 0.226 761 G HA3 -0.035 3.925 3.960 0.000 0.000 0.226 761 G C 0.259 175.266 174.900 0.178 0.000 1.035 761 G CA -0.364 44.947 45.100 0.353 0.000 0.744 761 G HN 1.311 nan 8.290 nan 0.000 0.501 762 A N -0.538 122.359 122.820 0.129 0.000 2.566 762 A HA 0.596 4.916 4.320 0.000 0.000 0.245 762 A C 2.207 179.835 177.584 0.072 0.000 1.056 762 A CA 2.230 54.318 52.037 0.085 0.000 0.757 762 A CB -0.118 18.923 19.000 0.069 0.000 0.979 762 A HN 2.497 nan 8.150 nan 0.000 0.508 763 G N 1.036 109.872 108.800 0.060 0.000 3.548 763 G HA2 -0.341 3.619 3.960 0.000 0.000 0.224 763 G HA3 -0.341 3.619 3.960 0.000 0.000 0.224 763 G C 1.404 176.331 174.900 0.046 0.000 1.351 763 G CA 1.239 46.367 45.100 0.046 0.000 0.905 763 G HN 2.141 nan 8.290 nan 0.000 0.561 764 V N -1.721 118.224 119.914 0.051 0.000 2.719 764 V HA 0.585 4.705 4.120 0.000 0.000 0.252 764 V C 1.341 177.485 176.094 0.084 0.000 1.065 764 V CA 2.167 64.492 62.300 0.041 0.000 1.086 764 V CB 0.359 32.175 31.823 -0.011 0.000 0.700 764 V HN 1.049 nan 8.190 nan 0.000 0.467 765 L N 2.837 124.141 121.223 0.134 0.000 2.511 765 L HA 0.579 4.919 4.340 0.000 0.000 0.252 765 L C -2.652 174.285 176.870 0.112 0.000 1.542 765 L CA -2.067 52.865 54.840 0.155 0.000 0.822 765 L CB 1.338 43.565 42.059 0.281 0.000 1.050 765 L HN 0.096 nan 8.230 nan 0.000 0.516 766 P HA 0.154 nan 4.420 nan 0.000 0.269 766 P C -0.626 176.703 177.300 0.049 0.000 1.209 766 P CA -0.017 63.118 63.100 0.058 0.000 0.776 766 P CB 0.838 32.566 31.700 0.046 0.000 0.876 767 N N 1.204 119.928 118.700 0.040 0.000 2.418 767 N HA 0.033 4.773 4.740 0.000 0.000 0.283 767 N C 1.080 176.607 175.510 0.028 0.000 1.267 767 N CA -0.503 52.566 53.050 0.033 0.000 0.975 767 N CB -0.060 38.444 38.487 0.029 0.000 1.167 767 N HN 0.398 nan 8.380 nan 0.000 0.581 768 E N -0.361 119.854 120.200 0.025 0.000 2.427 768 E HA -0.071 4.279 4.350 0.000 0.000 0.196 768 E C 0.908 177.518 176.600 0.018 0.000 1.028 768 E CA 0.905 57.318 56.400 0.021 0.000 0.864 768 E CB -0.362 29.350 29.700 0.021 0.000 0.813 768 E HN 0.705 nan 8.360 nan 0.000 0.514 769 L N 0.315 121.548 121.223 0.017 0.000 2.537 769 L HA 0.159 4.499 4.340 0.000 0.000 0.224 769 L C 1.534 178.410 176.870 0.011 0.000 1.065 769 L CA 0.123 54.970 54.840 0.011 0.000 0.860 769 L CB 0.074 42.137 42.059 0.006 0.000 1.086 769 L HN -0.041 nan 8.230 nan 0.000 0.482 770 T N 0.154 114.717 114.554 0.015 0.000 2.903 770 T HA 0.055 4.405 4.350 0.000 0.000 0.314 770 T C 1.058 175.768 174.700 0.017 0.000 1.078 770 T CA 0.693 62.803 62.100 0.017 0.000 1.114 770 T CB 0.695 69.577 68.868 0.024 0.000 0.987 770 T HN 0.399 nan 8.240 nan 0.000 0.548 771 T N 2.199 116.763 114.554 0.015 0.000 3.170 771 T HA 0.329 4.679 4.350 0.000 0.000 0.288 771 T C 0.638 175.348 174.700 0.017 0.000 0.992 771 T CA -0.473 61.635 62.100 0.014 0.000 0.909 771 T CB -0.310 68.563 68.868 0.009 0.000 1.133 771 T HN 0.483 nan 8.240 nan 0.000 0.530 772 L N 3.755 124.992 121.223 0.022 0.000 2.578 772 L HA 0.235 4.575 4.340 0.000 0.000 0.279 772 L C 1.048 177.934 176.870 0.026 0.000 1.227 772 L CA -0.182 54.674 54.840 0.027 0.000 0.900 772 L CB 0.324 42.404 42.059 0.036 0.000 1.144 772 L HN 0.479 nan 8.230 nan 0.000 0.496 773 S N 0.476 116.191 115.700 0.025 0.000 2.693 773 S HA 0.137 4.607 4.470 0.000 0.000 0.276 773 S C 0.583 175.199 174.600 0.027 0.000 1.192 773 S CA -0.794 57.419 58.200 0.022 0.000 0.994 773 S CB 1.756 64.965 63.200 0.015 0.000 1.012 773 S HN 0.666 nan 8.310 nan 0.000 0.550 774 D N 0.468 120.882 120.400 0.022 0.000 2.144 774 D HA -0.155 4.485 4.640 0.000 0.000 0.199 774 D C 1.391 177.709 176.300 0.028 0.000 0.984 774 D CA 1.625 55.638 54.000 0.023 0.000 0.834 774 D CB -0.415 40.394 40.800 0.015 0.000 0.955 774 D HN 0.764 nan 8.370 nan 0.000 0.465 775 D N -0.491 119.925 120.400 0.026 0.000 2.097 775 D HA -0.148 4.492 4.640 0.000 0.000 0.195 775 D C 2.052 178.387 176.300 0.057 0.000 0.989 775 D CA 1.250 55.269 54.000 0.032 0.000 0.827 775 D CB 0.004 40.813 40.800 0.016 0.000 0.966 775 D HN 0.260 nan 8.370 nan 0.000 0.456 776 Q N -0.271 119.561 119.800 0.052 0.000 2.124 776 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 776 Q C 2.271 178.333 176.000 0.104 0.000 0.977 776 Q CA 1.341 57.193 55.803 0.081 0.000 0.850 776 Q CB -0.174 28.597 28.738 0.055 0.000 0.901 776 Q HN 0.365 nan 8.270 nan 0.000 0.429 777 A N 1.342 124.203 122.820 0.068 0.000 1.902 777 A HA -0.181 4.139 4.320 0.000 0.000 0.217 777 A C 1.985 179.597 177.584 0.047 0.000 1.181 777 A CA 1.253 53.323 52.037 0.055 0.000 0.623 777 A CB -0.356 18.669 19.000 0.041 0.000 0.818 777 A HN 0.198 nan 8.150 nan 0.000 0.443 778 R N -1.712 118.818 120.500 0.050 0.000 2.148 778 R HA -0.124 4.216 4.340 0.000 0.000 0.227 778 R C 2.143 178.474 176.300 0.052 0.000 1.103 778 R CA 1.352 57.474 56.100 0.036 0.000 0.983 778 R CB -0.427 29.893 30.300 0.032 0.000 0.874 778 R HN 0.811 nan 8.270 nan 0.000 0.451 779 H N 1.013 120.084 119.070 0.001 0.000 2.389 779 H HA 0.002 4.558 4.556 0.000 0.000 0.299 779 H C 1.779 177.112 175.328 0.008 0.000 1.081 779 H CA 1.380 57.431 56.048 0.006 0.000 1.345 779 H CB -0.098 29.673 29.762 0.015 0.000 1.393 779 H HN 0.051 nan 8.280 nan 0.000 0.520 780 L N -0.325 120.838 121.223 -0.099 0.000 2.083 780 L HA -0.097 4.243 4.340 0.000 0.000 0.209 780 L C 2.766 179.553 176.870 -0.138 0.000 1.083 780 L CA 0.964 55.721 54.840 -0.139 0.000 0.752 780 L CB -0.724 41.325 42.059 -0.018 0.000 0.899 780 L HN 0.425 nan 8.230 nan 0.000 0.433 781 A N -0.211 122.553 122.820 -0.094 0.000 1.930 781 A HA -0.202 4.118 4.320 0.000 0.000 0.217 781 A C 1.900 179.388 177.584 -0.159 0.000 1.175 781 A CA 1.711 53.690 52.037 -0.097 0.000 0.627 781 A CB -0.383 18.581 19.000 -0.060 0.000 0.815 781 A HN 0.316 nan 8.150 nan 0.000 0.443 782 D N 0.129 120.429 120.400 -0.167 0.000 2.097 782 D HA -0.107 4.533 4.640 0.000 0.000 0.195 782 D C 1.925 178.092 176.300 -0.222 0.000 0.989 782 D CA 1.011 54.901 54.000 -0.183 0.000 0.827 782 D CB -0.321 40.415 40.800 -0.107 0.000 0.966 782 D HN 0.438 nan 8.370 nan 0.000 0.456 783 L N 0.509 121.576 121.223 -0.260 0.000 2.083 783 L HA -0.148 4.192 4.340 0.000 0.000 0.209 783 L C 2.452 179.208 176.870 -0.190 0.000 1.083 783 L CA 1.072 55.779 54.840 -0.221 0.000 0.752 783 L CB -0.480 41.442 42.059 -0.228 0.000 0.899 783 L HN 0.037 nan 8.230 nan 0.000 0.433 784 T N -0.881 113.570 114.554 -0.173 0.000 2.737 784 T HA -0.156 4.194 4.350 0.000 0.000 0.265 784 T C 2.038 176.638 174.700 -0.168 0.000 1.038 784 T CA 1.087 63.106 62.100 -0.135 0.000 1.144 784 T CB -0.132 68.683 68.868 -0.089 0.000 0.866 784 T HN 0.260 nan 8.240 nan 0.000 0.434 785 R N 0.310 120.641 120.500 -0.281 0.000 2.081 785 R HA -0.030 4.310 4.340 0.000 0.000 0.235 785 R C 2.412 178.439 176.300 -0.454 0.000 1.131 785 R CA 1.045 56.819 56.100 -0.543 0.000 0.960 785 R CB -0.663 28.985 30.300 -1.086 0.000 0.856 785 R HN 0.216 nan 8.270 nan 0.000 0.436 786 L N 0.493 121.504 121.223 -0.354 0.000 2.042 786 L HA -0.079 4.261 4.340 0.000 0.000 0.210 786 L C 2.087 178.812 176.870 -0.242 0.000 1.076 786 L CA 2.151 56.831 54.840 -0.267 0.000 0.749 786 L CB -0.936 41.021 42.059 -0.169 0.000 0.893 786 L HN 0.201 nan 8.230 nan 0.000 0.432 787 G N -1.052 107.632 108.800 -0.193 0.000 2.408 787 G HA2 -0.250 3.710 3.960 0.000 0.000 0.217 787 G HA3 -0.250 3.710 3.960 0.000 0.000 0.217 787 G C 1.534 176.368 174.900 -0.110 0.000 1.150 787 G CA 0.822 45.828 45.100 -0.157 0.000 0.776 787 G HN 0.419 nan 8.290 nan 0.000 0.542 788 M N 0.781 120.348 119.600 -0.055 0.000 2.460 788 M HA 0.073 4.553 4.480 0.000 0.000 0.263 788 M C 2.380 178.674 176.300 -0.010 0.000 1.071 788 M CA 0.989 56.303 55.300 0.024 0.000 1.096 788 M CB 0.134 32.824 32.600 0.149 0.000 1.408 788 M HN 0.293 nan 8.290 nan 0.000 0.463 789 A N -0.447 122.304 122.820 -0.115 0.000 2.379 789 A HA 0.500 4.820 4.320 0.000 0.000 0.236 789 A C 1.443 178.848 177.584 -0.298 0.000 1.272 789 A CA 0.495 52.334 52.037 -0.330 0.000 0.886 789 A CB -0.481 17.955 19.000 -0.940 0.000 0.962 789 A HN 0.602 nan 8.150 nan 0.000 0.504 790 G N -0.197 108.487 108.800 -0.193 0.000 2.157 790 G HA2 -0.269 3.691 3.960 0.000 0.000 0.239 790 G HA3 -0.269 3.691 3.960 0.000 0.000 0.239 790 G C 0.330 175.103 174.900 -0.211 0.000 0.982 790 G CA 0.396 45.399 45.100 -0.163 0.000 0.650 790 G HN 1.275 nan 8.290 nan 0.000 0.527 791 N N -0.950 117.601 118.700 -0.248 0.000 2.714 791 N HA -0.165 4.575 4.740 0.000 0.000 0.252 791 N C 0.319 175.646 175.510 -0.305 0.000 1.014 791 N CA 1.282 54.151 53.050 -0.303 0.000 0.735 791 N CB -1.200 37.037 38.487 -0.416 0.000 0.924 791 N HN 0.821 nan 8.380 nan 0.000 0.540 792 L N -0.318 120.810 121.223 -0.158 0.000 2.371 792 L HA 0.391 4.731 4.340 0.000 0.000 0.272 792 L C 1.788 178.659 176.870 0.001 0.000 1.124 792 L CA -0.006 54.799 54.840 -0.057 0.000 0.816 792 L CB 0.785 42.878 42.059 0.057 0.000 1.129 792 L HN 0.267 nan 8.230 nan 0.000 0.448 793 A N 1.377 124.203 122.820 0.010 0.000 1.969 793 A HA -0.125 4.195 4.320 0.000 0.000 0.218 793 A C 1.345 178.970 177.584 0.068 0.000 1.169 793 A CA 1.339 53.403 52.037 0.044 0.000 0.635 793 A CB -0.239 18.795 19.000 0.057 0.000 0.810 793 A HN 0.830 nan 8.150 nan 0.000 0.445 794 D N -1.963 118.485 120.400 0.081 0.000 2.369 794 D HA 0.172 4.812 4.640 0.000 0.000 0.211 794 D C -0.012 176.341 176.300 0.089 0.000 1.077 794 D CA -0.289 53.753 54.000 0.071 0.000 0.842 794 D CB -0.153 40.677 40.800 0.050 0.000 0.947 794 D HN 0.393 nan 8.370 nan 0.000 0.509 795 F N 1.775 121.729 119.950 0.007 0.000 2.529 795 F HA 0.093 4.620 4.527 0.000 0.000 0.365 795 F C 0.093 175.910 175.800 0.028 0.000 1.102 795 F CA -0.247 57.767 58.000 0.023 0.000 1.271 795 F CB 0.658 39.676 39.000 0.031 0.000 1.120 795 F HN -0.346 nan 8.300 nan 0.000 0.579 796 V N 7.638 127.180 119.914 -0.621 0.000 2.370 796 V HA 0.444 4.564 4.120 0.000 0.000 0.279 796 V C -0.330 175.557 176.094 -0.345 0.000 1.029 796 V CA -0.591 61.500 62.300 -0.349 0.000 0.870 796 V CB 0.836 32.498 31.823 -0.269 0.000 0.984 796 V HN 0.703 nan 8.190 nan 0.000 0.451 797 L N 3.900 125.107 121.223 -0.027 0.000 2.322 797 L HA 0.773 5.113 4.340 0.000 0.000 0.252 797 L C -0.867 176.030 176.870 0.045 0.000 1.055 797 L CA -0.926 53.969 54.840 0.091 0.000 0.849 797 L CB 1.422 43.620 42.059 0.231 0.000 1.446 797 L HN 0.222 nan 8.230 nan 0.000 0.416 798 I N 2.453 123.055 120.570 0.053 0.000 2.312 798 I HA 0.316 4.486 4.170 0.000 0.000 0.290 798 I C -0.277 175.851 176.117 0.017 0.000 1.008 798 I CA -0.121 61.197 61.300 0.029 0.000 1.226 798 I CB 0.651 38.671 38.000 0.033 0.000 1.371 798 I HN 0.910 nan 8.210 nan 0.000 0.468 799 D N 6.843 127.253 120.400 0.017 0.000 2.447 799 D HA 0.081 4.721 4.640 0.000 0.000 0.265 799 D C 1.094 177.404 176.300 0.016 0.000 1.250 799 D CA -0.425 53.585 54.000 0.016 0.000 1.046 799 D CB 0.693 41.514 40.800 0.036 0.000 1.095 799 D HN 0.558 nan 8.370 nan 0.000 0.555 800 K N -0.742 119.673 120.400 0.025 0.000 2.218 800 K HA -0.197 4.124 4.320 0.000 0.000 0.205 800 K C 0.220 176.831 176.600 0.019 0.000 1.046 800 K CA 1.555 57.856 56.287 0.025 0.000 0.933 800 K CB -0.273 32.254 32.500 0.046 0.000 0.728 800 K HN 0.304 nan 8.250 nan 0.000 0.454 801 D N -0.059 120.352 120.400 0.020 0.000 2.349 801 D HA 0.083 4.723 4.640 0.000 0.000 0.214 801 D C 0.854 177.160 176.300 0.009 0.000 1.063 801 D CA 0.783 54.790 54.000 0.013 0.000 0.847 801 D CB 0.905 41.712 40.800 0.011 0.000 0.933 801 D HN 0.542 nan 8.370 nan 0.000 0.513 802 G N 0.962 109.769 108.800 0.010 0.000 2.157 802 G HA2 -0.207 3.753 3.960 0.000 0.000 0.248 802 G HA3 -0.207 3.753 3.960 0.000 0.000 0.248 802 G C 0.493 175.397 174.900 0.007 0.000 0.979 802 G CA 0.140 45.245 45.100 0.008 0.000 0.650 802 G HN 0.582 nan 8.290 nan 0.000 0.529 803 A N -0.271 122.555 122.820 0.010 0.000 2.316 803 A HA 0.747 5.067 4.320 0.000 0.000 0.284 803 A C 0.565 178.155 177.584 0.010 0.000 1.115 803 A CA 0.013 52.055 52.037 0.009 0.000 0.812 803 A CB 1.219 20.226 19.000 0.011 0.000 1.064 803 A HN 1.136 nan 8.150 nan 0.000 0.489 804 V N 3.835 123.752 119.914 0.004 0.000 2.455 804 V HA 0.275 4.395 4.120 0.000 0.000 0.273 804 V C 0.073 176.170 176.094 0.005 0.000 1.045 804 V CA 0.038 62.338 62.300 -0.000 0.000 0.976 804 V CB 0.290 32.108 31.823 -0.010 0.000 0.993 804 V HN 0.795 nan 8.190 nan 0.000 0.475 805 K N 4.821 125.227 120.400 0.010 0.000 2.464 805 K HA 0.577 4.897 4.320 0.000 0.000 0.253 805 K C -0.547 176.069 176.600 0.026 0.000 0.933 805 K CA -0.834 55.466 56.287 0.022 0.000 0.801 805 K CB 2.918 35.440 32.500 0.036 0.000 1.271 805 K HN 0.532 nan 8.250 nan 0.000 0.430 806 R N -0.254 120.264 120.500 0.030 0.000 2.528 806 R HA 0.233 4.573 4.340 0.000 0.000 0.271 806 R C 1.573 177.918 176.300 0.075 0.000 1.056 806 R CA -0.025 56.101 56.100 0.043 0.000 1.117 806 R CB 0.595 30.914 30.300 0.033 0.000 1.085 806 R HN 0.882 nan 8.270 nan 0.000 0.530 807 G N 0.318 109.184 108.800 0.110 0.000 2.469 807 G HA2 -0.326 3.634 3.960 0.000 0.000 0.220 807 G HA3 -0.326 3.634 3.960 0.000 0.000 0.220 807 G C 1.368 176.305 174.900 0.060 0.000 1.136 807 G CA 1.278 46.432 45.100 0.090 0.000 0.759 807 G HN 0.664 nan 8.290 nan 0.000 0.562 808 S N 0.272 116.009 115.700 0.061 0.000 2.469 808 S HA -0.026 4.445 4.470 0.000 0.000 0.238 808 S C 1.779 176.418 174.600 0.066 0.000 0.998 808 S CA 1.447 59.686 58.200 0.064 0.000 0.957 808 S CB -0.142 63.094 63.200 0.059 0.000 0.764 808 S HN 0.611 nan 8.310 nan 0.000 0.514 809 E N 0.271 120.507 120.200 0.061 0.000 2.474 809 E HA 0.189 4.539 4.350 0.000 0.000 0.194 809 E C -0.321 176.324 176.600 0.076 0.000 1.041 809 E CA -0.103 56.332 56.400 0.059 0.000 0.874 809 E CB 0.162 29.890 29.700 0.046 0.000 0.914 809 E HN 0.463 nan 8.360 nan 0.000 0.498 810 I N 2.569 123.191 120.570 0.088 0.000 2.337 810 I HA 0.073 4.243 4.170 0.000 0.000 0.291 810 I C 0.177 176.397 176.117 0.171 0.000 1.046 810 I CA -0.500 60.874 61.300 0.123 0.000 1.324 810 I CB 0.239 38.286 38.000 0.077 0.000 1.409 810 I HN -0.063 nan 8.210 nan 0.000 0.494 811 D N 6.020 126.552 120.400 0.221 0.000 2.382 811 D HA 0.005 4.645 4.640 0.000 0.000 0.245 811 D C -0.919 175.588 176.300 0.346 0.000 1.120 811 D CA 0.349 54.478 54.000 0.215 0.000 0.890 811 D CB 0.520 41.379 40.800 0.098 0.000 1.201 811 D HN 0.361 nan 8.370 nan 0.000 0.433 812 Y N 4.169 124.547 120.300 0.130 0.000 2.646 812 Y HA 0.269 4.819 4.550 0.000 0.000 0.334 812 Y C -0.448 175.511 175.900 0.097 0.000 1.004 812 Y CA -1.091 57.083 58.100 0.125 0.000 1.301 812 Y CB -0.292 38.217 38.460 0.081 0.000 1.093 812 Y HN 0.480 nan 8.280 nan 0.000 0.530 813 N N 4.090 122.662 118.700 -0.212 0.000 2.716 813 N HA -0.224 4.516 4.740 0.000 0.000 0.250 813 N C 1.068 176.506 175.510 -0.119 0.000 1.033 813 N CA 1.730 54.641 53.050 -0.233 0.000 0.727 813 N CB -1.206 37.026 38.487 -0.425 0.000 0.950 813 N HN 1.324 nan 8.380 nan 0.000 0.541 814 G N -2.660 106.116 108.800 -0.040 0.000 2.213 814 G HA2 -0.084 3.876 3.960 0.000 0.000 0.236 814 G HA3 -0.084 3.876 3.960 0.000 0.000 0.236 814 G C 0.125 175.041 174.900 0.026 0.000 0.991 814 G CA 0.639 45.734 45.100 -0.010 0.000 0.629 814 G HN 1.151 nan 8.290 nan 0.000 0.517 815 A N 0.256 123.113 122.820 0.061 0.000 2.330 815 A HA 0.867 5.187 4.320 0.000 0.000 0.329 815 A C -2.721 174.951 177.584 0.146 0.000 1.135 815 A CA -1.596 50.501 52.037 0.100 0.000 0.817 815 A CB 1.214 20.288 19.000 0.124 0.000 1.269 815 A HN 0.053 nan 8.150 nan 0.000 0.469 816 P HA 0.114 nan 4.420 nan 0.000 0.266 816 P C 1.050 178.445 177.300 0.158 0.000 1.215 816 P CA 0.741 63.914 63.100 0.121 0.000 0.763 816 P CB 0.902 32.659 31.700 0.094 0.000 0.806 817 G N 3.839 112.727 108.800 0.147 0.000 2.484 817 G HA2 -0.098 3.862 3.960 0.000 0.000 0.215 817 G HA3 -0.098 3.862 3.960 0.000 0.000 0.215 817 G C 0.759 175.672 174.900 0.022 0.000 1.219 817 G CA 0.519 45.681 45.100 0.103 0.000 0.791 817 G HN 0.656 nan 8.290 nan 0.000 0.550 818 G N -0.643 108.154 108.800 -0.006 0.000 2.364 818 G HA2 0.409 4.369 3.960 0.000 0.000 0.267 818 G HA3 0.409 4.369 3.960 0.000 0.000 0.267 818 G C 0.106 174.999 174.900 -0.012 0.000 1.233 818 G CA 0.256 45.300 45.100 -0.093 0.000 0.885 818 G HN 0.614 nan 8.290 nan 0.000 0.490 819 Y N 0.299 120.575 120.300 -0.040 0.000 2.476 819 Y HA 0.662 5.212 4.550 0.000 0.000 0.261 819 Y C 0.995 176.878 175.900 -0.027 0.000 1.077 819 Y CA -0.572 57.504 58.100 -0.041 0.000 1.240 819 Y CB -0.383 38.026 38.460 -0.085 0.000 1.317 819 Y HN 0.622 nan 8.280 nan 0.000 0.540 820 A N 1.195 123.929 122.820 -0.143 0.000 2.271 820 A HA 0.780 5.100 4.320 0.000 0.000 0.288 820 A C 1.263 178.858 177.584 0.019 0.000 1.094 820 A CA 0.053 52.085 52.037 -0.008 0.000 0.828 820 A CB 0.660 19.573 19.000 -0.144 0.000 1.091 820 A HN 0.656 nan 8.150 nan 0.000 0.493 821 A N -0.106 122.745 122.820 0.051 0.000 2.014 821 A HA 0.320 4.640 4.320 0.000 0.000 0.210 821 A C 0.370 177.980 177.584 0.043 0.000 1.188 821 A CA 0.743 52.811 52.037 0.053 0.000 0.731 821 A CB 0.121 19.161 19.000 0.066 0.000 0.858 821 A HN 0.744 nan 8.150 nan 0.000 0.464 822 D N -1.435 118.987 120.400 0.037 0.000 2.732 822 D HA 0.295 4.935 4.640 0.000 0.000 0.229 822 D C -2.240 174.061 176.300 0.002 0.000 1.152 822 D CA -1.244 52.773 54.000 0.029 0.000 0.854 822 D CB 1.932 42.761 40.800 0.048 0.000 1.590 822 D HN -0.116 nan 8.370 nan 0.000 0.468 823 P HA -0.123 nan 4.420 nan 0.000 0.225 823 P C 1.039 178.316 177.300 -0.038 0.000 1.148 823 P CA 1.148 64.221 63.100 -0.044 0.000 0.779 823 P CB -0.011 31.662 31.700 -0.046 0.000 0.780 824 T N -3.316 111.229 114.554 -0.014 0.000 3.160 824 T HA 0.049 4.399 4.350 0.000 0.000 0.257 824 T C 1.374 176.115 174.700 0.068 0.000 1.147 824 T CA 0.511 62.600 62.100 -0.018 0.000 1.064 824 T CB -0.564 68.297 68.868 -0.012 0.000 0.949 824 T HN 0.236 nan 8.240 nan 0.000 0.526 825 E N 0.290 120.531 120.200 0.068 0.000 2.474 825 E HA 0.244 4.594 4.350 0.000 0.000 0.195 825 E C -0.481 176.191 176.600 0.119 0.000 1.039 825 E CA -0.157 56.313 56.400 0.116 0.000 0.881 825 E CB 0.721 30.489 29.700 0.113 0.000 0.970 825 E HN 0.308 nan 8.360 nan 0.000 0.486 826 V N 1.496 121.432 119.914 0.037 0.000 2.540 826 V HA 0.243 4.363 4.120 0.000 0.000 0.302 826 V C -0.440 175.637 176.094 -0.027 0.000 1.035 826 V CA -0.804 61.505 62.300 0.014 0.000 0.873 826 V CB 2.145 33.904 31.823 -0.106 0.000 0.992 826 V HN -0.195 nan 8.190 nan 0.000 0.428 827 V N 5.126 125.024 119.914 -0.027 0.000 2.350 827 V HA 0.448 4.568 4.120 0.000 0.000 0.285 827 V C -0.031 176.117 176.094 0.089 0.000 1.014 827 V CA -0.785 61.440 62.300 -0.125 0.000 0.831 827 V CB 1.446 32.940 31.823 -0.549 0.000 1.000 827 V HN 0.818 nan 8.190 nan 0.000 0.433 828 N N 4.046 122.825 118.700 0.132 0.000 2.508 828 N HA 0.647 5.387 4.740 0.000 0.000 0.285 828 N C -0.859 174.910 175.510 0.432 0.000 1.144 828 N CA -0.124 53.060 53.050 0.223 0.000 0.978 828 N CB 1.949 40.489 38.487 0.089 0.000 1.180 828 N HN 0.758 nan 8.380 nan 0.000 0.484 829 Y N -3.100 117.317 120.300 0.194 0.000 2.662 829 Y HA 0.395 4.945 4.550 0.000 0.000 0.334 829 Y C -0.372 175.653 175.900 0.209 0.000 1.185 829 Y CA -1.095 57.174 58.100 0.282 0.000 1.074 829 Y CB 0.275 39.023 38.460 0.481 0.000 1.330 829 Y HN 0.103 nan 8.280 nan 0.000 0.458 830 V N -1.648 118.403 119.914 0.229 0.000 3.330 830 V HA 0.579 4.699 4.120 0.000 0.000 0.309 830 V C -0.103 176.110 176.094 0.200 0.000 1.481 830 V CA 0.541 62.889 62.300 0.080 0.000 1.068 830 V CB 0.188 32.065 31.823 0.089 0.000 0.935 830 V HN 0.846 nan 8.190 nan 0.000 0.453 831 S N 0.237 116.187 115.700 0.416 0.000 2.542 831 S HA 0.724 5.194 4.470 0.000 0.000 0.276 831 S C -1.182 173.722 174.600 0.506 0.000 1.148 831 S CA -0.531 57.894 58.200 0.375 0.000 0.886 831 S CB 2.391 65.749 63.200 0.262 0.000 1.109 831 S HN 0.633 nan 8.310 nan 0.000 0.458 832 K N 0.932 121.539 120.400 0.346 0.000 2.571 832 K HA 0.402 4.723 4.320 0.000 0.000 0.289 832 K C 1.203 177.841 176.600 0.064 0.000 1.028 832 K CA -0.682 55.763 56.287 0.263 0.000 0.895 832 K CB 0.475 33.021 32.500 0.077 0.000 1.534 832 K HN 0.822 nan 8.250 nan 0.000 0.421 833 H N -0.262 118.787 119.070 -0.035 0.000 2.387 833 H HA -0.102 4.454 4.556 0.000 0.000 0.299 833 H C -0.334 174.907 175.328 -0.144 0.000 1.099 833 H CA 1.369 57.295 56.048 -0.204 0.000 1.315 833 H CB -0.299 29.094 29.762 -0.615 0.000 1.380 833 H HN 0.593 nan 8.280 nan 0.000 0.513 834 D N 1.223 121.097 120.400 -0.876 0.000 2.264 834 D HA 0.157 4.797 4.640 0.000 0.000 0.249 834 D C 0.029 176.309 176.300 -0.032 0.000 1.070 834 D CA -0.600 53.227 54.000 -0.289 0.000 0.912 834 D CB 0.931 41.461 40.800 -0.450 0.000 1.193 834 D HN 0.296 nan 8.370 nan 0.000 0.427 835 N N 0.246 119.018 118.700 0.119 0.000 6.033 835 N HA -0.163 4.577 4.740 0.000 0.000 0.394 835 N C -0.789 174.823 175.510 0.169 0.000 1.156 835 N CA -0.058 53.063 53.050 0.118 0.000 2.206 835 N CB -0.464 38.056 38.487 0.055 0.000 0.665 835 N HN 0.584 nan 8.380 nan 0.000 0.591 836 Q N 0.712 120.624 119.800 0.186 0.000 2.395 836 Q HA 0.231 4.571 4.340 0.000 0.000 0.271 836 Q C 0.785 176.900 176.000 0.191 0.000 1.026 836 Q CA 0.352 56.286 55.803 0.218 0.000 0.900 836 Q CB 0.278 29.193 28.738 0.295 0.000 1.266 836 Q HN 0.600 nan 8.270 nan 0.000 0.430 837 T N -0.892 113.771 114.554 0.182 0.000 2.802 837 T HA 0.056 4.407 4.350 0.000 0.000 0.305 837 T C 0.962 175.766 174.700 0.174 0.000 1.053 837 T CA -0.710 61.494 62.100 0.174 0.000 1.058 837 T CB 0.452 69.418 68.868 0.163 0.000 0.988 837 T HN 0.536 nan 8.240 nan 0.000 0.539 838 L N 1.126 122.458 121.223 0.181 0.000 2.012 838 L HA 0.004 4.344 4.340 0.000 0.000 0.210 838 L C 2.264 179.224 176.870 0.150 0.000 1.073 838 L CA 1.778 56.717 54.840 0.165 0.000 0.748 838 L CB -1.187 40.982 42.059 0.183 0.000 0.891 838 L HN 0.880 nan 8.230 nan 0.000 0.431 839 W N 0.519 121.825 121.300 0.010 0.000 2.338 839 W HA -0.246 4.415 4.660 0.000 0.000 0.304 839 W C 1.830 178.315 176.519 -0.057 0.000 1.212 839 W CA 1.830 59.146 57.345 -0.048 0.000 1.264 839 W CB -0.171 29.230 29.460 -0.097 0.000 1.142 839 W HN 0.292 nan 8.180 nan 0.000 0.512 840 D N 0.045 120.442 120.400 -0.005 0.000 2.178 840 D HA -0.193 4.447 4.640 0.000 0.000 0.202 840 D C 2.249 178.556 176.300 0.012 0.000 0.974 840 D CA 1.381 55.291 54.000 -0.151 0.000 0.841 840 D CB -0.458 40.288 40.800 -0.091 0.000 0.953 840 D HN 0.102 nan 8.370 nan 0.000 0.478 841 M N -0.066 119.599 119.600 0.108 0.000 2.156 841 M HA -0.005 4.475 4.480 0.000 0.000 0.264 841 M C 2.314 178.661 176.300 0.079 0.000 1.067 841 M CA 0.728 56.154 55.300 0.210 0.000 1.131 841 M CB -0.641 32.056 32.600 0.160 0.000 1.368 841 M HN 0.059 nan 8.290 nan 0.000 0.416 842 I N -0.319 120.185 120.570 -0.110 0.000 2.361 842 I HA -0.252 3.918 4.170 0.000 0.000 0.251 842 I C 2.234 178.168 176.117 -0.305 0.000 1.133 842 I CA 0.895 62.052 61.300 -0.238 0.000 1.413 842 I CB -0.267 37.501 38.000 -0.387 0.000 1.073 842 I HN 0.220 nan 8.210 nan 0.000 0.424 843 S N -0.318 115.141 115.700 -0.402 0.000 2.402 843 S HA -0.146 4.324 4.470 0.000 0.000 0.229 843 S C 1.880 176.531 174.600 0.085 0.000 1.021 843 S CA 1.038 59.081 58.200 -0.261 0.000 0.974 843 S CB -0.247 62.799 63.200 -0.257 0.000 0.800 843 S HN 0.339 nan 8.310 nan 0.000 0.484 844 Y N 1.792 122.177 120.300 0.141 0.000 2.263 844 Y HA 0.051 4.601 4.550 0.000 0.000 0.292 844 Y C 2.160 178.068 175.900 0.014 0.000 1.130 844 Y CA 0.716 58.872 58.100 0.093 0.000 1.179 844 Y CB -0.078 38.442 38.460 0.099 0.000 0.998 844 Y HN 0.200 nan 8.280 nan 0.000 0.532 845 K N -0.604 119.891 120.400 0.159 0.000 2.308 845 K HA 0.321 4.641 4.320 0.000 0.000 0.197 845 K C 0.863 177.471 176.600 0.013 0.000 1.049 845 K CA 0.407 56.734 56.287 0.067 0.000 0.991 845 K CB 0.126 32.657 32.500 0.053 0.000 0.836 845 K HN 0.016 nan 8.250 nan 0.000 0.500 846 A N 2.034 124.829 122.820 -0.042 0.000 2.540 846 A HA 0.372 4.692 4.320 0.000 0.000 0.239 846 A C 0.311 177.875 177.584 -0.034 0.000 1.061 846 A CA -0.120 51.869 52.037 -0.080 0.000 0.758 846 A CB -0.037 18.859 19.000 -0.173 0.000 0.991 846 A HN 0.336 nan 8.150 nan 0.000 0.502 847 A N 1.494 124.303 122.820 -0.017 0.000 2.483 847 A HA 0.211 4.531 4.320 0.000 0.000 0.238 847 A C 1.359 178.942 177.584 -0.001 0.000 1.070 847 A CA 0.135 52.177 52.037 0.009 0.000 0.770 847 A CB 0.184 19.204 19.000 0.032 0.000 1.008 847 A HN 0.965 nan 8.150 nan 0.000 0.497 848 Q N 0.711 120.518 119.800 0.012 0.000 2.152 848 Q HA -0.205 4.135 4.340 0.000 0.000 0.206 848 Q C 1.719 177.726 176.000 0.011 0.000 0.985 848 Q CA 2.271 58.082 55.803 0.013 0.000 0.863 848 Q CB -0.085 28.666 28.738 0.022 0.000 0.904 848 Q HN 0.973 nan 8.270 nan 0.000 0.422 849 E N -0.611 119.600 120.200 0.018 0.000 2.482 849 E HA 0.030 4.380 4.350 0.000 0.000 0.196 849 E C -0.153 176.457 176.600 0.017 0.000 1.047 849 E CA 0.447 56.861 56.400 0.024 0.000 0.869 849 E CB -0.173 29.549 29.700 0.037 0.000 0.836 849 E HN 0.182 nan 8.360 nan 0.000 0.520 850 A N 3.114 125.930 122.820 -0.007 0.000 2.395 850 A HA 0.152 4.472 4.320 0.000 0.000 0.286 850 A C -0.188 177.366 177.584 -0.050 0.000 1.193 850 A CA -0.368 51.642 52.037 -0.045 0.000 0.852 850 A CB -0.142 18.786 19.000 -0.120 0.000 1.118 850 A HN 0.331 nan 8.150 nan 0.000 0.524 851 D N 2.164 122.550 120.400 -0.023 0.000 2.393 851 D HA 0.080 4.720 4.640 0.000 0.000 0.246 851 D C 1.092 177.385 176.300 -0.011 0.000 1.275 851 D CA -0.643 53.353 54.000 -0.007 0.000 0.979 851 D CB 0.235 41.045 40.800 0.016 0.000 1.101 851 D HN 0.213 nan 8.370 nan 0.000 0.505 852 L N 0.022 121.257 121.223 0.020 0.000 1.989 852 L HA -0.155 4.185 4.340 0.000 0.000 0.211 852 L C 1.703 178.616 176.870 0.071 0.000 1.071 852 L CA 2.351 57.227 54.840 0.061 0.000 0.749 852 L CB -1.248 40.840 42.059 0.049 0.000 0.890 852 L HN 0.699 nan 8.230 nan 0.000 0.431 853 D N -1.933 118.497 120.400 0.049 0.000 2.123 853 D HA -0.211 4.430 4.640 0.000 0.000 0.196 853 D C 1.869 178.206 176.300 0.061 0.000 0.992 853 D CA 1.797 55.838 54.000 0.069 0.000 0.833 853 D CB 0.021 40.863 40.800 0.070 0.000 0.954 853 D HN 0.419 nan 8.370 nan 0.000 0.455 854 T N -0.466 114.082 114.554 -0.010 0.000 2.788 854 T HA -0.085 4.265 4.350 0.000 0.000 0.268 854 T C 1.942 176.490 174.700 -0.253 0.000 1.044 854 T CA 0.915 62.923 62.100 -0.154 0.000 1.139 854 T CB -0.152 68.591 68.868 -0.208 0.000 0.867 854 T HN 0.192 nan 8.240 nan 0.000 0.454 855 R N 0.425 120.839 120.500 -0.142 0.000 2.115 855 R HA -0.001 4.339 4.340 0.000 0.000 0.230 855 R C 2.441 178.800 176.300 0.099 0.000 1.111 855 R CA 0.781 56.798 56.100 -0.138 0.000 0.976 855 R CB -0.570 29.626 30.300 -0.173 0.000 0.870 855 R HN 0.253 nan 8.270 nan 0.000 0.445 856 V N 1.007 121.048 119.914 0.212 0.000 2.358 856 V HA -0.227 3.893 4.120 0.000 0.000 0.246 856 V C 2.215 178.454 176.094 0.242 0.000 1.047 856 V CA 1.696 64.166 62.300 0.282 0.000 1.035 856 V CB -0.442 31.516 31.823 0.225 0.000 0.658 856 V HN 0.285 nan 8.190 nan 0.000 0.452 857 R N -0.667 119.919 120.500 0.143 0.000 2.115 857 R HA -0.058 4.283 4.340 0.000 0.000 0.230 857 R C 2.309 178.604 176.300 -0.009 0.000 1.111 857 R CA 1.386 57.513 56.100 0.046 0.000 0.976 857 R CB -0.329 30.012 30.300 0.068 0.000 0.870 857 R HN 0.456 nan 8.270 nan 0.000 0.445 858 M N 0.069 119.583 119.600 -0.142 0.000 2.117 858 M HA -0.206 4.274 4.480 0.000 0.000 0.262 858 M C 2.421 178.721 176.300 0.000 0.000 1.065 858 M CA 1.625 56.816 55.300 -0.181 0.000 1.114 858 M CB -0.183 32.184 32.600 -0.388 0.000 1.361 858 M HN 0.077 nan 8.290 nan 0.000 0.408 859 Q N 0.609 120.455 119.800 0.076 0.000 2.050 859 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 859 Q C 1.968 178.060 176.000 0.154 0.000 0.980 859 Q CA 2.343 58.243 55.803 0.162 0.000 0.840 859 Q CB -0.181 28.727 28.738 0.282 0.000 0.898 859 Q HN 0.488 nan 8.270 nan 0.000 0.424 860 A N -0.543 122.359 122.820 0.136 0.000 1.898 860 A HA -0.108 4.212 4.320 0.000 0.000 0.216 860 A C 2.273 179.868 177.584 0.019 0.000 1.181 860 A CA 1.482 53.563 52.037 0.075 0.000 0.620 860 A CB -0.806 18.140 19.000 -0.090 0.000 0.819 860 A HN 0.298 nan 8.150 nan 0.000 0.442 861 V N 0.062 119.997 119.914 0.034 0.000 2.343 861 V HA -0.222 3.898 4.120 0.000 0.000 0.247 861 V C 2.807 178.947 176.094 0.077 0.000 1.051 861 V CA 2.327 64.670 62.300 0.072 0.000 1.036 861 V CB -0.694 31.249 31.823 0.200 0.000 0.654 861 V HN 0.575 nan 8.190 nan 0.000 0.451 862 S N 0.055 115.808 115.700 0.088 0.000 2.356 862 S HA -0.116 4.354 4.470 0.000 0.000 0.223 862 S C 1.867 176.510 174.600 0.072 0.000 1.032 862 S CA 1.462 59.711 58.200 0.082 0.000 1.005 862 S CB -0.343 62.909 63.200 0.086 0.000 0.867 862 S HN 0.475 nan 8.310 nan 0.000 0.449 863 L N 1.072 122.344 121.223 0.081 0.000 2.201 863 L HA -0.042 4.298 4.340 0.000 0.000 0.212 863 L C 2.656 179.522 176.870 -0.006 0.000 1.105 863 L CA 0.828 55.705 54.840 0.062 0.000 0.775 863 L CB -0.584 41.531 42.059 0.094 0.000 0.913 863 L HN 0.312 nan 8.230 nan 0.000 0.440 864 A N 0.241 123.053 122.820 -0.013 0.000 1.972 864 A HA -0.216 4.104 4.320 0.000 0.000 0.219 864 A C 2.451 180.021 177.584 -0.023 0.000 1.169 864 A CA 2.103 54.114 52.037 -0.043 0.000 0.635 864 A CB -0.924 18.055 19.000 -0.035 0.000 0.810 864 A HN 0.513 nan 8.150 nan 0.000 0.446 865 T N -2.780 111.779 114.554 0.009 0.000 2.881 865 T HA -0.077 4.273 4.350 0.000 0.000 0.270 865 T C 1.610 176.316 174.700 0.010 0.000 1.068 865 T CA 1.592 63.702 62.100 0.018 0.000 1.131 865 T CB -0.489 68.391 68.868 0.021 0.000 0.871 865 T HN 0.086 nan 8.240 nan 0.000 0.479 866 V N 1.100 121.020 119.914 0.010 0.000 2.374 866 V HA 0.039 4.159 4.120 0.000 0.000 0.241 866 V C 2.794 178.874 176.094 -0.024 0.000 1.034 866 V CA 1.102 63.414 62.300 0.020 0.000 1.037 866 V CB -0.466 31.401 31.823 0.073 0.000 0.682 866 V HN 0.330 nan 8.190 nan 0.000 0.463 867 M N -0.101 119.455 119.600 -0.074 0.000 2.213 867 M HA -0.038 4.442 4.480 0.000 0.000 0.263 867 M C 1.822 178.009 176.300 -0.189 0.000 1.062 867 M CA 1.726 56.937 55.300 -0.149 0.000 1.105 867 M CB -0.909 31.555 32.600 -0.228 0.000 1.385 867 M HN 0.267 nan 8.290 nan 0.000 0.417 868 L N -0.978 120.155 121.223 -0.150 0.000 2.628 868 L HA 0.251 4.591 4.340 0.000 0.000 0.229 868 L C 1.118 178.005 176.870 0.028 0.000 1.137 868 L CA -0.598 54.151 54.840 -0.153 0.000 0.909 868 L CB -0.565 41.431 42.059 -0.104 0.000 1.137 868 L HN 0.139 nan 8.230 nan 0.000 0.470 869 G N -1.066 107.739 108.800 0.007 0.000 2.477 869 G HA2 0.228 4.188 3.960 0.000 0.000 0.304 869 G HA3 0.228 4.188 3.960 0.000 0.000 0.304 869 G C 0.408 175.322 174.900 0.023 0.000 1.175 869 G CA -0.288 44.829 45.100 0.029 0.000 0.907 869 G HN -0.036 nan 8.290 nan 0.000 0.509 870 Q N -0.048 119.752 119.800 0.000 0.000 2.311 870 Q HA 0.022 4.362 4.340 0.000 0.000 0.203 870 Q C 1.618 177.595 176.000 -0.039 0.000 0.954 870 Q CA 0.566 56.361 55.803 -0.015 0.000 0.885 870 Q CB -0.149 28.562 28.738 -0.044 0.000 0.963 870 Q HN 0.541 nan 8.270 nan 0.000 0.471 871 G N 0.817 109.587 108.800 -0.050 0.000 2.606 871 G HA2 0.300 4.260 3.960 0.000 0.000 0.252 871 G HA3 0.300 4.260 3.960 0.000 0.000 0.252 871 G C -0.012 174.850 174.900 -0.063 0.000 1.206 871 G CA -0.616 44.448 45.100 -0.061 0.000 0.861 871 G HN 0.133 nan 8.290 nan 0.000 0.561 872 I N 0.862 121.374 120.570 -0.097 0.000 2.710 872 I HA 0.157 4.327 4.170 0.000 0.000 0.286 872 I C 1.086 177.164 176.117 -0.066 0.000 1.181 872 I CA 0.062 61.277 61.300 -0.141 0.000 1.430 872 I CB 0.861 38.706 38.000 -0.258 0.000 1.367 872 I HN 0.463 nan 8.210 nan 0.000 0.577 873 A N 7.543 130.333 122.820 -0.051 0.000 2.289 873 A HA 0.559 4.879 4.320 0.000 0.000 0.298 873 A C -0.866 176.790 177.584 0.121 0.000 1.208 873 A CA -0.210 51.847 52.037 0.034 0.000 0.845 873 A CB 0.356 19.345 19.000 -0.018 0.000 1.125 873 A HN 0.553 nan 8.150 nan 0.000 0.517 874 F N 2.145 122.136 119.950 0.069 0.000 2.565 874 F HA 0.695 5.222 4.527 0.000 0.000 0.313 874 F C -0.992 174.943 175.800 0.224 0.000 1.091 874 F CA -0.730 57.351 58.000 0.134 0.000 0.915 874 F CB 2.088 41.177 39.000 0.148 0.000 1.208 874 F HN 0.592 nan 8.300 nan 0.000 0.453 875 D N 2.735 122.944 120.400 -0.319 0.000 2.609 875 D HA 0.174 4.814 4.640 0.000 0.000 0.239 875 D C -1.767 174.330 176.300 -0.337 0.000 1.229 875 D CA -0.397 53.574 54.000 -0.048 0.000 0.808 875 D CB 2.094 43.014 40.800 0.199 0.000 1.448 875 D HN 0.712 nan 8.370 nan 0.000 0.433 876 Q N 1.429 121.188 119.800 -0.069 0.000 2.293 876 Q HA 0.156 4.496 4.340 0.000 0.000 0.251 876 Q C -0.302 175.535 176.000 -0.273 0.000 0.930 876 Q CA -0.480 55.252 55.803 -0.117 0.000 0.893 876 Q CB 0.958 29.735 28.738 0.065 0.000 1.215 876 Q HN 0.482 nan 8.270 nan 0.000 0.425 877 Q N 2.460 122.007 119.800 -0.422 0.000 2.269 877 Q HA 0.054 4.394 4.340 0.000 0.000 0.300 877 Q C 0.314 176.220 176.000 -0.156 0.000 1.070 877 Q CA 1.384 56.864 55.803 -0.538 0.000 0.957 877 Q CB -0.072 28.533 28.738 -0.221 0.000 1.131 877 Q HN 1.025 nan 8.270 nan 0.000 0.377 878 G N 2.736 111.508 108.800 -0.048 0.000 2.194 878 G HA2 -0.269 3.691 3.960 0.000 0.000 0.236 878 G HA3 -0.269 3.691 3.960 0.000 0.000 0.236 878 G C 0.865 175.710 174.900 -0.092 0.000 0.987 878 G CA 0.311 45.365 45.100 -0.077 0.000 0.635 878 G HN 0.617 nan 8.290 nan 0.000 0.520 879 S N 0.956 116.622 115.700 -0.057 0.000 2.419 879 S HA -0.083 4.387 4.470 0.000 0.000 0.233 879 S C 2.114 176.681 174.600 -0.055 0.000 1.016 879 S CA 1.669 59.880 58.200 0.018 0.000 0.974 879 S CB -0.171 63.127 63.200 0.164 0.000 0.786 879 S HN 0.843 nan 8.310 nan 0.000 0.492 880 E N 1.321 121.329 120.200 -0.320 0.000 2.478 880 E HA -0.060 4.290 4.350 0.000 0.000 0.198 880 E C 0.919 177.432 176.600 -0.145 0.000 1.046 880 E CA 0.648 56.825 56.400 -0.371 0.000 0.870 880 E CB -0.238 28.980 29.700 -0.804 0.000 0.818 880 E HN 0.471 nan 8.360 nan 0.000 0.527 881 L N 0.978 122.102 121.223 -0.164 0.000 3.066 881 L HA 0.291 4.631 4.340 0.000 0.000 0.265 881 L C 0.336 177.034 176.870 -0.286 0.000 1.232 881 L CA -0.325 54.381 54.840 -0.223 0.000 1.031 881 L CB -0.039 41.841 42.059 -0.298 0.000 1.379 881 L HN -0.031 nan 8.230 nan 0.000 0.563 882 L N 0.102 121.190 121.223 -0.226 0.000 3.839 882 L HA -0.267 4.074 4.340 0.000 0.000 0.416 882 L C 1.028 177.700 176.870 -0.330 0.000 1.195 882 L CA 0.281 54.931 54.840 -0.317 0.000 0.946 882 L CB -1.541 40.056 42.059 -0.771 0.000 1.891 882 L HN 0.484 nan 8.230 nan 0.000 0.963 883 R N 1.078 121.470 120.500 -0.180 0.000 2.481 883 R HA 0.137 4.477 4.340 0.000 0.000 0.291 883 R C 0.450 176.733 176.300 -0.028 0.000 0.934 883 R CA 1.104 57.118 56.100 -0.143 0.000 1.116 883 R CB 0.549 30.794 30.300 -0.092 0.000 0.895 883 R HN 0.269 nan 8.270 nan 0.000 0.410 884 S N 2.483 118.147 115.700 -0.059 0.000 2.566 884 S HA 0.372 4.842 4.470 0.000 0.000 0.298 884 S C -0.341 174.256 174.600 -0.005 0.000 1.083 884 S CA -0.865 57.367 58.200 0.053 0.000 0.978 884 S CB 1.576 64.873 63.200 0.160 0.000 1.073 884 S HN 0.728 nan 8.310 nan 0.000 0.491 885 K N 1.437 121.858 120.400 0.035 0.000 2.564 885 K HA 0.299 4.619 4.320 0.000 0.000 0.205 885 K C 0.026 176.718 176.600 0.154 0.000 1.053 885 K CA -0.052 56.294 56.287 0.099 0.000 1.072 885 K CB 0.583 33.172 32.500 0.147 0.000 0.822 885 K HN 0.621 nan 8.250 nan 0.000 0.497 886 S N 0.262 115.952 115.700 -0.016 0.000 3.698 886 S HA -0.202 4.268 4.470 0.000 0.000 0.338 886 S C 0.042 174.659 174.600 0.028 0.000 1.089 886 S CA 0.818 58.971 58.200 -0.079 0.000 0.991 886 S CB -1.166 62.172 63.200 0.232 0.000 0.909 886 S HN 0.580 nan 8.310 nan 0.000 0.485 887 F N -2.229 117.717 119.950 -0.006 0.000 2.656 887 F HA -0.213 4.315 4.527 0.000 0.000 0.381 887 F C 0.799 176.634 175.800 0.059 0.000 0.603 887 F CA 1.029 59.010 58.000 -0.031 0.000 1.335 887 F CB -2.526 36.396 39.000 -0.130 0.000 1.836 887 F HN 0.358 nan 8.300 nan 0.000 0.290 888 T N 1.427 116.081 114.554 0.168 0.000 2.867 888 T HA 0.090 4.440 4.350 0.000 0.000 0.297 888 T C 1.416 176.212 174.700 0.159 0.000 0.989 888 T CA 0.345 62.493 62.100 0.081 0.000 1.159 888 T CB 1.453 70.292 68.868 -0.048 0.000 0.928 888 T HN 0.375 nan 8.240 nan 0.000 0.538 889 R N 2.010 122.607 120.500 0.161 0.000 2.080 889 R HA 0.001 4.341 4.340 0.000 0.000 0.222 889 R C 0.178 176.595 176.300 0.195 0.000 1.107 889 R CA 0.827 57.039 56.100 0.186 0.000 0.980 889 R CB 0.316 30.714 30.300 0.164 0.000 0.879 889 R HN 0.534 nan 8.270 nan 0.000 0.439 890 D N 0.365 120.858 120.400 0.155 0.000 2.404 890 D HA 0.049 4.689 4.640 0.000 0.000 0.267 890 D C -0.396 175.933 176.300 0.048 0.000 1.194 890 D CA -0.265 53.843 54.000 0.180 0.000 0.910 890 D CB 1.417 42.306 40.800 0.148 0.000 1.090 890 D HN 0.171 nan 8.370 nan 0.000 0.511 891 S N 2.312 118.027 115.700 0.026 0.000 2.710 891 S HA -0.069 4.401 4.470 0.000 0.000 0.224 891 S C 1.726 175.934 174.600 -0.654 0.000 0.948 891 S CA -0.428 57.676 58.200 -0.160 0.000 0.949 891 S CB -0.818 62.452 63.200 0.117 0.000 0.778 891 S HN 0.511 nan 8.310 nan 0.000 0.498 892 Y N 1.076 120.477 120.300 -1.498 0.000 2.241 892 Y HA -0.022 4.529 4.550 0.000 0.000 0.286 892 Y C 1.220 176.769 175.900 -0.586 0.000 1.166 892 Y CA 1.577 58.593 58.100 -1.806 0.000 1.203 892 Y CB -0.566 37.216 38.460 -1.130 0.000 0.977 892 Y HN 0.392 nan 8.280 nan 0.000 0.529 893 D N -0.860 118.838 120.400 -1.170 0.000 2.673 893 D HA 0.179 4.819 4.640 0.000 0.000 0.278 893 D C 0.482 176.518 176.300 -0.441 0.000 1.393 893 D CA 0.076 53.630 54.000 -0.743 0.000 0.805 893 D CB 0.057 40.212 40.800 -1.075 0.000 1.110 893 D HN 0.242 nan 8.370 nan 0.000 0.476 894 S N -0.347 115.116 115.700 -0.394 0.000 2.671 894 S HA 0.439 4.909 4.470 0.000 0.000 0.220 894 S C 1.070 175.583 174.600 -0.145 0.000 0.951 894 S CA 0.239 58.317 58.200 -0.204 0.000 0.932 894 S CB 0.078 63.184 63.200 -0.157 0.000 0.777 894 S HN 0.615 nan 8.310 nan 0.000 0.508 895 G N 2.153 110.692 108.800 -0.435 0.000 2.749 895 G HA2 -0.264 3.696 3.960 0.000 0.000 0.242 895 G HA3 -0.264 3.696 3.960 0.000 0.000 0.242 895 G C -0.002 174.543 174.900 -0.592 0.000 1.364 895 G CA 0.008 44.815 45.100 -0.489 0.000 0.888 895 G HN 0.310 nan 8.290 nan 0.000 0.566 896 D N -0.946 119.377 120.400 -0.129 0.000 2.178 896 D HA -0.074 4.566 4.640 0.000 0.000 0.201 896 D C 1.850 178.401 176.300 0.419 0.000 0.980 896 D CA 1.516 55.636 54.000 0.200 0.000 0.842 896 D CB -0.145 40.753 40.800 0.163 0.000 0.948 896 D HN 0.488 nan 8.370 nan 0.000 0.472 897 W N 0.567 121.928 121.300 0.101 0.000 2.332 897 W HA -0.238 4.422 4.660 0.000 0.000 0.321 897 W C 1.541 177.881 176.519 -0.298 0.000 1.219 897 W CA 1.039 58.359 57.345 -0.043 0.000 1.277 897 W CB -0.537 28.757 29.460 -0.276 0.000 1.161 897 W HN -0.054 nan 8.180 nan 0.000 0.476 898 F N 0.379 120.369 119.950 0.068 0.000 2.615 898 F HA -0.010 4.517 4.527 0.000 0.000 0.297 898 F C 1.620 177.347 175.800 -0.122 0.000 1.124 898 F CA 1.058 59.025 58.000 -0.055 0.000 1.451 898 F CB -0.719 38.295 39.000 0.023 0.000 1.103 898 F HN -0.135 nan 8.300 nan 0.000 0.569 899 N N -0.337 118.366 118.700 0.006 0.000 2.280 899 N HA 0.024 4.764 4.740 0.000 0.000 0.192 899 N C 0.479 175.974 175.510 -0.025 0.000 1.109 899 N CA -0.249 52.810 53.050 0.016 0.000 0.855 899 N CB 0.131 38.606 38.487 -0.020 0.000 0.974 899 N HN -0.000 nan 8.380 nan 0.000 0.482 900 R N 1.380 121.763 120.500 -0.196 0.000 2.537 900 R HA 0.029 4.369 4.340 0.000 0.000 0.281 900 R C -1.044 174.978 176.300 -0.463 0.000 0.988 900 R CA 0.504 56.294 56.100 -0.517 0.000 1.077 900 R CB 0.286 29.808 30.300 -1.298 0.000 0.932 900 R HN -0.146 nan 8.270 nan 0.000 0.409 901 V N 4.764 124.441 119.914 -0.396 0.000 2.443 901 V HA 0.107 4.227 4.120 0.000 0.000 0.293 901 V C -0.714 175.033 176.094 -0.579 0.000 1.021 901 V CA -0.757 61.262 62.300 -0.467 0.000 0.848 901 V CB 1.581 33.170 31.823 -0.389 0.000 0.998 901 V HN 0.782 nan 8.190 nan 0.000 0.424 902 D N 3.249 123.282 120.400 -0.612 0.000 2.411 902 D HA 0.238 4.878 4.640 0.000 0.000 0.225 902 D C 0.369 176.369 176.300 -0.501 0.000 1.156 902 D CA -0.091 53.627 54.000 -0.471 0.000 0.874 902 D CB 0.618 41.174 40.800 -0.408 0.000 1.034 902 D HN 0.527 nan 8.370 nan 0.000 0.502 903 Y N 1.268 121.469 120.300 -0.166 0.000 2.578 903 Y HA -0.045 4.505 4.550 0.000 0.000 0.297 903 Y C 2.326 178.143 175.900 -0.137 0.000 1.176 903 Y CA 0.389 58.371 58.100 -0.196 0.000 1.315 903 Y CB 0.240 38.608 38.460 -0.153 0.000 1.031 903 Y HN 0.396 nan 8.280 nan 0.000 0.524 904 S N -0.492 115.190 115.700 -0.031 0.000 2.575 904 S HA 0.037 4.507 4.470 0.000 0.000 0.215 904 S C 0.809 175.362 174.600 -0.078 0.000 0.966 904 S CA -0.029 58.154 58.200 -0.029 0.000 0.911 904 S CB -0.568 62.619 63.200 -0.021 0.000 0.780 904 S HN 0.491 nan 8.310 nan 0.000 0.514 905 L N -0.277 120.861 121.223 -0.141 0.000 3.865 905 L HA -0.225 4.115 4.340 0.000 0.000 0.408 905 L C 1.069 177.843 176.870 -0.161 0.000 1.209 905 L CA 0.332 55.073 54.840 -0.167 0.000 0.940 905 L CB -2.251 39.736 42.059 -0.118 0.000 1.971 905 L HN 0.332 nan 8.230 nan 0.000 0.899 906 Q N 0.636 120.334 119.800 -0.169 0.000 2.212 906 Q HA 0.097 4.437 4.340 0.000 0.000 0.199 906 Q C 0.818 176.706 176.000 -0.186 0.000 0.950 906 Q CA 1.759 57.470 55.803 -0.154 0.000 0.863 906 Q CB 0.375 29.033 28.738 -0.133 0.000 0.944 906 Q HN 0.898 nan 8.270 nan 0.000 0.465 907 D N -1.245 119.010 120.400 -0.242 0.000 2.725 907 D HA -0.002 4.638 4.640 0.000 0.000 0.292 907 D C -0.453 175.645 176.300 -0.337 0.000 1.288 907 D CA -0.489 53.350 54.000 -0.269 0.000 0.784 907 D CB 0.113 40.771 40.800 -0.237 0.000 1.308 907 D HN -0.064 nan 8.370 nan 0.000 0.429 908 N N 0.474 118.959 118.700 -0.359 0.000 2.251 908 N HA 0.014 4.754 4.740 0.000 0.000 0.217 908 N C 0.295 175.602 175.510 -0.338 0.000 1.124 908 N CA -0.127 52.684 53.050 -0.398 0.000 0.843 908 N CB -0.424 37.741 38.487 -0.537 0.000 1.024 908 N HN 0.599 nan 8.380 nan 0.000 0.501 909 N N -1.111 117.382 118.700 -0.344 0.000 2.829 909 N HA -0.245 4.495 4.740 0.000 0.000 0.250 909 N C -1.226 174.151 175.510 -0.223 0.000 1.090 909 N CA 0.378 53.203 53.050 -0.375 0.000 0.781 909 N CB -2.131 36.087 38.487 -0.448 0.000 1.124 909 N HN 0.623 nan 8.380 nan 0.000 0.559 910 Y N 1.641 121.781 120.300 -0.266 0.000 2.301 910 Y HA 0.343 4.893 4.550 0.000 0.000 0.328 910 Y C 1.317 177.140 175.900 -0.128 0.000 1.242 910 Y CA 0.487 58.483 58.100 -0.174 0.000 1.323 910 Y CB 0.535 38.938 38.460 -0.095 0.000 1.266 910 Y HN 0.320 nan 8.280 nan 0.000 0.527 911 N N 2.886 121.237 118.700 -0.583 0.000 2.727 911 N HA -0.184 4.556 4.740 0.000 0.000 0.251 911 N C -0.510 174.924 175.510 -0.127 0.000 1.040 911 N CA 0.512 53.373 53.050 -0.316 0.000 0.712 911 N CB -0.666 37.749 38.487 -0.119 0.000 0.912 911 N HN 0.575 nan 8.380 nan 0.000 0.545 912 V N -1.449 118.399 119.914 -0.109 0.000 3.121 912 V HA 0.699 4.819 4.120 0.000 0.000 0.344 912 V C 0.830 177.031 176.094 0.178 0.000 1.390 912 V CA 0.496 62.770 62.300 -0.043 0.000 1.177 912 V CB 0.532 32.137 31.823 -0.363 0.000 1.163 912 V HN 0.641 nan 8.190 nan 0.000 0.484 913 G N 0.290 109.181 108.800 0.152 0.000 2.465 913 G HA2 0.131 4.091 3.960 0.000 0.000 0.681 913 G HA3 0.131 4.091 3.960 0.000 0.000 0.681 913 G C -0.843 174.225 174.900 0.279 0.000 1.340 913 G CA -0.880 44.347 45.100 0.212 0.000 0.884 913 G HN 0.163 nan 8.290 nan 0.000 0.650 914 M N 2.109 121.780 119.600 0.118 0.000 2.249 914 M HA 0.229 4.709 4.480 0.000 0.000 0.340 914 M C -1.400 174.979 176.300 0.132 0.000 1.166 914 M CA -1.754 53.539 55.300 -0.011 0.000 1.115 914 M CB -0.172 32.170 32.600 -0.429 0.000 1.606 914 M HN 0.509 nan 8.290 nan 0.000 0.448 915 P HA 0.111 nan 4.420 nan 0.000 0.273 915 P C -0.709 176.566 177.300 -0.041 0.000 1.250 915 P CA -0.477 62.512 63.100 -0.184 0.000 0.793 915 P CB 0.246 31.924 31.700 -0.036 0.000 1.011 916 R N 0.317 120.677 120.500 -0.234 0.000 2.494 916 R HA 0.011 4.351 4.340 0.000 0.000 0.291 916 R C 1.103 177.404 176.300 0.002 0.000 0.953 916 R CA 0.359 56.406 56.100 -0.087 0.000 1.098 916 R CB -0.756 29.457 30.300 -0.146 0.000 0.911 916 R HN 0.493 nan 8.270 nan 0.000 0.407 917 S N 2.321 118.041 115.700 0.034 0.000 2.399 917 S HA -0.242 4.228 4.470 0.000 0.000 0.231 917 S C 1.955 176.466 174.600 -0.148 0.000 1.022 917 S CA 1.020 59.142 58.200 -0.129 0.000 0.983 917 S CB -0.373 62.794 63.200 -0.056 0.000 0.803 917 S HN 0.846 nan 8.310 nan 0.000 0.480 918 S N 1.578 117.236 115.700 -0.070 0.000 2.383 918 S HA -0.185 4.285 4.470 0.000 0.000 0.229 918 S C 1.500 176.069 174.600 -0.052 0.000 1.030 918 S CA 1.584 59.752 58.200 -0.054 0.000 1.002 918 S CB -0.661 62.526 63.200 -0.023 0.000 0.829 918 S HN 0.664 nan 8.310 nan 0.000 0.467 919 D N -0.188 120.184 120.400 -0.045 0.000 2.454 919 D HA 0.156 4.796 4.640 0.000 0.000 0.214 919 D C 0.809 177.094 176.300 -0.025 0.000 1.088 919 D CA 0.197 54.185 54.000 -0.019 0.000 0.855 919 D CB 0.374 41.184 40.800 0.018 0.000 1.025 919 D HN 0.214 nan 8.370 nan 0.000 0.502 920 D N -0.898 119.469 120.400 -0.055 0.000 2.500 920 D HA 0.165 4.805 4.640 0.000 0.000 0.217 920 D C 1.810 177.983 176.300 -0.212 0.000 1.159 920 D CA 0.134 54.119 54.000 -0.025 0.000 0.828 920 D CB 0.833 41.696 40.800 0.105 0.000 1.039 920 D HN 0.254 nan 8.370 nan 0.000 0.512 921 G N 1.355 109.881 108.800 -0.456 0.000 2.442 921 G HA2 -0.275 3.685 3.960 0.000 0.000 0.219 921 G HA3 -0.275 3.685 3.960 0.000 0.000 0.219 921 G C 1.652 176.260 174.900 -0.486 0.000 1.141 921 G CA 1.387 45.947 45.100 -0.900 0.000 0.763 921 G HN 0.348 nan 8.290 nan 0.000 0.554 922 S N 0.419 115.982 115.700 -0.227 0.000 2.547 922 S HA 0.004 4.474 4.470 0.000 0.000 0.235 922 S C 1.591 176.159 174.600 -0.054 0.000 0.980 922 S CA 0.904 59.037 58.200 -0.112 0.000 0.941 922 S CB -0.105 63.050 63.200 -0.075 0.000 0.763 922 S HN 0.343 nan 8.310 nan 0.000 0.532 923 N N -0.030 118.657 118.700 -0.022 0.000 2.205 923 N HA 0.226 4.966 4.740 0.000 0.000 0.201 923 N C 0.710 176.329 175.510 0.182 0.000 1.128 923 N CA -0.062 53.024 53.050 0.060 0.000 0.867 923 N CB -0.233 38.308 38.487 0.091 0.000 0.996 923 N HN 0.557 nan 8.380 nan 0.000 0.503 924 Y N 1.238 121.532 120.300 -0.011 0.000 2.165 924 Y HA -0.272 4.278 4.550 0.000 0.000 0.286 924 Y C 2.238 178.124 175.900 -0.023 0.000 1.155 924 Y CA 0.916 59.007 58.100 -0.015 0.000 1.164 924 Y CB 0.168 38.627 38.460 -0.001 0.000 0.978 924 Y HN 0.096 nan 8.280 nan 0.000 0.513 925 D N 0.461 120.950 120.400 0.148 0.000 2.084 925 D HA -0.220 4.420 4.640 0.000 0.000 0.194 925 D C 1.902 178.222 176.300 0.034 0.000 0.990 925 D CA 1.280 55.322 54.000 0.069 0.000 0.826 925 D CB -0.247 40.580 40.800 0.045 0.000 0.971 925 D HN 0.192 nan 8.370 nan 0.000 0.453 926 I N 0.178 120.763 120.570 0.025 0.000 2.394 926 I HA -0.117 4.053 4.170 0.000 0.000 0.251 926 I C 1.948 178.067 176.117 0.003 0.000 1.136 926 I CA 0.971 62.279 61.300 0.014 0.000 1.425 926 I CB -0.185 37.803 38.000 -0.021 0.000 1.079 926 I HN 0.207 nan 8.210 nan 0.000 0.425 927 I N 0.351 120.897 120.570 -0.039 0.000 2.179 927 I HA -0.302 3.868 4.170 0.000 0.000 0.242 927 I C 2.574 178.592 176.117 -0.166 0.000 1.088 927 I CA 1.375 62.503 61.300 -0.286 0.000 1.357 927 I CB -0.670 37.134 38.000 -0.327 0.000 1.051 927 I HN 0.269 nan 8.210 nan 0.000 0.409 928 A N 0.777 123.555 122.820 -0.071 0.000 1.933 928 A HA -0.208 4.112 4.320 0.000 0.000 0.218 928 A C 2.338 179.920 177.584 -0.003 0.000 1.175 928 A CA 1.554 53.571 52.037 -0.033 0.000 0.628 928 A CB -0.535 18.454 19.000 -0.017 0.000 0.814 928 A HN 0.344 nan 8.150 nan 0.000 0.444 929 R N -0.799 119.702 120.500 0.001 0.000 2.148 929 R HA -0.033 4.307 4.340 0.000 0.000 0.223 929 R C 1.882 178.203 176.300 0.034 0.000 1.088 929 R CA 1.446 57.558 56.100 0.019 0.000 0.985 929 R CB -0.220 30.092 30.300 0.020 0.000 0.880 929 R HN 0.597 nan 8.270 nan 0.000 0.451 930 V N -2.449 117.485 119.914 0.034 0.000 3.523 930 V HA 0.129 4.249 4.120 0.000 0.000 0.255 930 V C 1.943 178.123 176.094 0.144 0.000 1.226 930 V CA 0.325 62.670 62.300 0.075 0.000 1.092 930 V CB 0.036 31.917 31.823 0.096 0.000 0.817 930 V HN 0.031 nan 8.190 nan 0.000 0.458 931 K N 1.080 121.569 120.400 0.148 0.000 2.059 931 K HA -0.238 4.082 4.320 0.000 0.000 0.212 931 K C 1.142 177.938 176.600 0.328 0.000 1.050 931 K CA 2.445 58.925 56.287 0.322 0.000 0.927 931 K CB -0.225 32.397 32.500 0.202 0.000 0.714 931 K HN 0.600 nan 8.250 nan 0.000 0.447 932 D N -0.278 120.236 120.400 0.189 0.000 2.395 932 D HA 0.096 4.736 4.640 0.000 0.000 0.226 932 D C 1.011 177.382 176.300 0.117 0.000 1.146 932 D CA 0.353 54.451 54.000 0.162 0.000 0.830 932 D CB 0.642 41.507 40.800 0.108 0.000 0.958 932 D HN 0.307 nan 8.370 nan 0.000 0.501 933 A N 0.552 123.438 122.820 0.111 0.000 1.892 933 A HA -0.063 4.257 4.320 0.000 0.000 0.218 933 A C 1.351 178.965 177.584 0.050 0.000 1.188 933 A CA 1.608 53.684 52.037 0.065 0.000 0.631 933 A CB -0.208 18.820 19.000 0.045 0.000 0.822 933 A HN 0.244 nan 8.150 nan 0.000 0.447 934 V N -5.725 114.220 119.914 0.052 0.000 3.156 934 V HA 0.862 4.982 4.120 0.000 0.000 0.311 934 V C 0.214 176.342 176.094 0.057 0.000 1.208 934 V CA -1.118 61.206 62.300 0.041 0.000 1.063 934 V CB 0.894 32.730 31.823 0.021 0.000 1.098 934 V HN 0.891 nan 8.190 nan 0.000 0.452 935 A N 0.320 123.165 122.820 0.042 0.000 2.406 935 A HA 0.577 4.897 4.320 0.000 0.000 0.243 935 A C 0.553 178.150 177.584 0.023 0.000 1.082 935 A CA 0.176 52.235 52.037 0.037 0.000 0.786 935 A CB -0.301 18.708 19.000 0.014 0.000 1.029 935 A HN 1.061 nan 8.150 nan 0.000 0.495 936 T N 3.274 117.844 114.554 0.025 0.000 2.884 936 T HA 0.404 4.754 4.350 0.000 0.000 0.298 936 T C -2.272 172.356 174.700 -0.120 0.000 0.998 936 T CA -0.310 61.779 62.100 -0.019 0.000 1.124 936 T CB 0.387 69.298 68.868 0.072 0.000 0.931 936 T HN 0.464 nan 8.240 nan 0.000 0.531 937 P HA 0.247 nan 4.420 nan 0.000 0.264 937 P C 0.174 177.328 177.300 -0.243 0.000 1.183 937 P CA 0.156 63.063 63.100 -0.321 0.000 0.763 937 P CB 0.452 31.789 31.700 -0.605 0.000 0.807 938 G N 1.010 109.693 108.800 -0.195 0.000 3.175 938 G HA2 0.192 4.152 3.960 0.000 0.000 0.255 938 G HA3 0.192 4.152 3.960 0.000 0.000 0.255 938 G C 0.614 175.416 174.900 -0.163 0.000 1.352 938 G CA -0.395 44.608 45.100 -0.160 0.000 1.037 938 G HN 0.453 nan 8.290 nan 0.000 0.556 939 E N -1.036 119.085 120.200 -0.132 0.000 2.097 939 E HA -0.169 4.181 4.350 0.000 0.000 0.196 939 E C 2.293 178.823 176.600 -0.118 0.000 1.000 939 E CA 2.009 58.337 56.400 -0.121 0.000 0.804 939 E CB -0.149 29.496 29.700 -0.092 0.000 0.740 939 E HN 0.428 nan 8.360 nan 0.000 0.454 940 T N 0.590 115.080 114.554 -0.106 0.000 2.708 940 T HA -0.159 4.191 4.350 0.000 0.000 0.266 940 T C 1.533 176.155 174.700 -0.130 0.000 1.037 940 T CA 1.680 63.719 62.100 -0.102 0.000 1.146 940 T CB -0.235 68.585 68.868 -0.081 0.000 0.865 940 T HN 0.215 nan 8.240 nan 0.000 0.435 941 E N 0.929 121.042 120.200 -0.146 0.000 2.106 941 E HA 0.066 4.416 4.350 0.000 0.000 0.192 941 E C 2.171 178.650 176.600 -0.201 0.000 0.984 941 E CA 0.533 56.830 56.400 -0.172 0.000 0.806 941 E CB -0.436 29.146 29.700 -0.197 0.000 0.750 941 E HN 0.409 nan 8.360 nan 0.000 0.458 942 L N 0.482 121.580 121.223 -0.207 0.000 2.093 942 L HA -0.147 4.193 4.340 0.000 0.000 0.208 942 L C 2.140 178.921 176.870 -0.149 0.000 1.085 942 L CA 1.213 55.933 54.840 -0.201 0.000 0.755 942 L CB -0.342 41.589 42.059 -0.212 0.000 0.904 942 L HN 0.072 nan 8.230 nan 0.000 0.435 943 K N -0.247 120.071 120.400 -0.137 0.000 2.097 943 K HA -0.209 4.111 4.320 0.000 0.000 0.205 943 K C 2.124 178.621 176.600 -0.171 0.000 1.050 943 K CA 1.051 57.269 56.287 -0.114 0.000 0.938 943 K CB -0.078 32.364 32.500 -0.097 0.000 0.718 943 K HN 0.309 nan 8.250 nan 0.000 0.442 944 Q N 0.730 120.388 119.800 -0.236 0.000 2.050 944 Q HA -0.218 4.123 4.340 0.000 0.000 0.202 944 Q C 2.174 177.850 176.000 -0.541 0.000 0.980 944 Q CA 1.579 57.126 55.803 -0.426 0.000 0.840 944 Q CB -0.028 28.474 28.738 -0.394 0.000 0.898 944 Q HN 0.138 nan 8.270 nan 0.000 0.424 945 M N 0.075 119.517 119.600 -0.264 0.000 2.117 945 M HA -0.110 4.370 4.480 0.000 0.000 0.262 945 M C 1.897 178.225 176.300 0.048 0.000 1.065 945 M CA 1.892 57.168 55.300 -0.041 0.000 1.114 945 M CB -0.497 32.100 32.600 -0.005 0.000 1.361 945 M HN 0.138 nan 8.290 nan 0.000 0.408 946 T N 0.512 115.057 114.554 -0.015 0.000 2.788 946 T HA -0.081 4.269 4.350 0.000 0.000 0.268 946 T C 1.789 176.533 174.700 0.074 0.000 1.044 946 T CA 1.557 63.684 62.100 0.045 0.000 1.139 946 T CB -0.620 68.271 68.868 0.038 0.000 0.867 946 T HN 0.553 nan 8.240 nan 0.000 0.454 947 A N 1.087 123.895 122.820 -0.019 0.000 1.898 947 A HA 0.002 4.322 4.320 0.000 0.000 0.216 947 A C 1.942 179.613 177.584 0.144 0.000 1.181 947 A CA 1.221 53.258 52.037 -0.001 0.000 0.620 947 A CB -0.875 18.059 19.000 -0.110 0.000 0.819 947 A HN 0.401 nan 8.150 nan 0.000 0.442 948 F N -1.484 118.511 119.950 0.075 0.000 2.095 948 F HA -0.142 4.385 4.527 0.000 0.000 0.298 948 F C 2.224 178.079 175.800 0.091 0.000 1.104 948 F CA 0.836 58.880 58.000 0.074 0.000 1.232 948 F CB -1.449 37.603 39.000 0.086 0.000 0.987 948 F HN 0.415 nan 8.300 nan 0.000 0.475 949 Y N 1.022 121.451 120.300 0.214 0.000 2.097 949 Y HA -0.278 4.272 4.550 0.000 0.000 0.282 949 Y C 2.498 178.429 175.900 0.052 0.000 1.152 949 Y CA 2.070 60.238 58.100 0.113 0.000 1.136 949 Y CB -0.497 38.021 38.460 0.096 0.000 0.975 949 Y HN 0.130 nan 8.280 nan 0.000 0.498 950 Q N -0.405 119.540 119.800 0.241 0.000 2.291 950 Q HA -0.207 4.133 4.340 0.000 0.000 0.205 950 Q C 2.086 178.105 176.000 0.031 0.000 0.970 950 Q CA 1.404 57.272 55.803 0.108 0.000 0.876 950 Q CB -0.118 28.666 28.738 0.077 0.000 0.935 950 Q HN 0.637 nan 8.270 nan 0.000 0.455 951 E N 1.133 121.368 120.200 0.058 0.000 2.047 951 E HA -0.167 4.183 4.350 0.000 0.000 0.191 951 E C 1.923 178.493 176.600 -0.049 0.000 0.987 951 E CA 0.576 56.993 56.400 0.028 0.000 0.799 951 E CB 0.040 29.796 29.700 0.092 0.000 0.752 951 E HN 0.301 nan 8.360 nan 0.000 0.449 952 L N 0.777 121.949 121.223 -0.085 0.000 2.017 952 L HA -0.178 4.162 4.340 0.000 0.000 0.208 952 L C 2.969 179.695 176.870 -0.240 0.000 1.073 952 L CA 1.867 56.596 54.840 -0.185 0.000 0.745 952 L CB -0.870 41.054 42.059 -0.225 0.000 0.894 952 L HN 0.382 nan 8.230 nan 0.000 0.432 953 T N -2.681 111.735 114.554 -0.231 0.000 2.867 953 T HA -0.090 4.260 4.350 0.000 0.000 0.268 953 T C 1.905 176.519 174.700 -0.143 0.000 1.057 953 T CA 0.882 62.863 62.100 -0.199 0.000 1.136 953 T CB -0.329 68.449 68.868 -0.149 0.000 0.874 953 T HN 0.310 nan 8.240 nan 0.000 0.466 954 A N 1.562 124.320 122.820 -0.104 0.000 1.930 954 A HA 0.213 4.533 4.320 0.000 0.000 0.217 954 A C 2.418 179.945 177.584 -0.094 0.000 1.175 954 A CA 1.113 53.109 52.037 -0.069 0.000 0.627 954 A CB -0.842 18.137 19.000 -0.036 0.000 0.815 954 A HN 0.529 nan 8.150 nan 0.000 0.443 955 L N -1.036 120.093 121.223 -0.157 0.000 2.017 955 L HA -0.172 4.168 4.340 0.000 0.000 0.208 955 L C 2.793 179.405 176.870 -0.431 0.000 1.073 955 L CA 1.747 56.452 54.840 -0.224 0.000 0.745 955 L CB -0.472 41.417 42.059 -0.284 0.000 0.894 955 L HN 0.461 nan 8.230 nan 0.000 0.432 956 R N 0.901 121.081 120.500 -0.534 0.000 2.083 956 R HA -0.245 4.095 4.340 0.000 0.000 0.237 956 R C 2.369 178.584 176.300 -0.141 0.000 1.137 956 R CA 2.018 57.803 56.100 -0.526 0.000 0.951 956 R CB -0.173 29.920 30.300 -0.345 0.000 0.851 956 R HN 0.246 nan 8.270 nan 0.000 0.434 957 K N 0.366 120.714 120.400 -0.088 0.000 2.148 957 K HA -0.093 4.227 4.320 0.000 0.000 0.204 957 K C 2.009 178.637 176.600 0.046 0.000 1.050 957 K CA 1.615 57.901 56.287 -0.002 0.000 0.942 957 K CB -0.081 32.414 32.500 -0.008 0.000 0.724 957 K HN 0.285 nan 8.250 nan 0.000 0.446 958 S N -0.364 115.368 115.700 0.055 0.000 2.399 958 S HA -0.084 4.386 4.470 0.000 0.000 0.231 958 S C 0.986 175.659 174.600 0.122 0.000 1.022 958 S CA 0.811 59.062 58.200 0.085 0.000 0.983 958 S CB -0.129 63.123 63.200 0.086 0.000 0.803 958 S HN 0.222 nan 8.310 nan 0.000 0.480 959 S N 1.134 116.966 115.700 0.221 0.000 2.538 959 S HA 0.549 5.019 4.470 0.000 0.000 0.288 959 S C -2.391 172.284 174.600 0.126 0.000 1.108 959 S CA -1.639 56.645 58.200 0.140 0.000 0.971 959 S CB 2.039 65.270 63.200 0.052 0.000 1.041 959 S HN 0.095 nan 8.310 nan 0.000 0.483 960 P HA 0.012 nan 4.420 nan 0.000 0.230 960 P C 1.345 178.635 177.300 -0.017 0.000 1.158 960 P CA 0.519 63.634 63.100 0.025 0.000 0.769 960 P CB 0.043 31.746 31.700 0.004 0.000 0.807 961 L N -2.089 119.070 121.223 -0.107 0.000 2.275 961 L HA -0.080 4.260 4.340 0.000 0.000 0.215 961 L C 2.221 178.955 176.870 -0.226 0.000 1.119 961 L CA 1.118 55.831 54.840 -0.211 0.000 0.790 961 L CB -0.857 40.995 42.059 -0.345 0.000 0.919 961 L HN -0.119 nan 8.230 nan 0.000 0.443 962 F N -0.355 119.566 119.950 -0.047 0.000 2.558 962 F HA -0.060 4.467 4.527 0.000 0.000 0.298 962 F C 1.563 177.331 175.800 -0.054 0.000 1.119 962 F CA 0.728 58.696 58.000 -0.054 0.000 1.451 962 F CB -0.244 38.725 39.000 -0.052 0.000 1.091 962 F HN 0.042 nan 8.300 nan 0.000 0.563 963 T N -2.676 111.947 114.554 0.115 0.000 3.585 963 T HA 0.320 4.670 4.350 0.000 0.000 0.252 963 T C 1.013 175.720 174.700 0.013 0.000 1.382 963 T CA -0.208 61.922 62.100 0.049 0.000 1.584 963 T CB -0.643 68.251 68.868 0.042 0.000 0.892 963 T HN 0.072 nan 8.240 nan 0.000 0.671 964 L N 0.996 122.219 121.223 0.000 0.000 2.127 964 L HA 0.073 4.413 4.340 0.000 0.000 0.211 964 L C 2.622 179.491 176.870 -0.002 0.000 1.089 964 L CA 1.656 56.492 54.840 -0.007 0.000 0.757 964 L CB -0.962 41.090 42.059 -0.011 0.000 0.899 964 L HN 0.814 nan 8.230 nan 0.000 0.434 965 G N -0.825 107.972 108.800 -0.005 0.000 2.779 965 G HA2 -0.291 3.669 3.960 0.000 0.000 0.230 965 G HA3 -0.291 3.669 3.960 0.000 0.000 0.230 965 G C 0.215 175.121 174.900 0.010 0.000 1.243 965 G CA 0.404 45.501 45.100 -0.004 0.000 0.769 965 G HN 0.391 nan 8.290 nan 0.000 0.516 966 D N 1.680 122.090 120.400 0.016 0.000 2.249 966 D HA 0.463 5.103 4.640 0.000 0.000 0.246 966 D C 1.501 177.820 176.300 0.032 0.000 1.114 966 D CA 0.450 54.467 54.000 0.027 0.000 0.854 966 D CB 1.069 41.885 40.800 0.026 0.000 1.132 966 D HN 0.284 nan 8.370 nan 0.000 0.461 967 G N 2.197 111.021 108.800 0.040 0.000 2.440 967 G HA2 -0.273 3.687 3.960 0.000 0.000 0.218 967 G HA3 -0.273 3.687 3.960 0.000 0.000 0.218 967 G C 1.456 176.396 174.900 0.067 0.000 1.154 967 G CA 1.040 46.172 45.100 0.054 0.000 0.767 967 G HN 0.556 nan 8.290 nan 0.000 0.552 968 A N 0.134 122.984 122.820 0.050 0.000 1.933 968 A HA -0.002 4.319 4.320 0.000 0.000 0.218 968 A C 2.519 180.127 177.584 0.040 0.000 1.175 968 A CA 2.404 54.466 52.037 0.042 0.000 0.628 968 A CB -0.788 18.230 19.000 0.030 0.000 0.814 968 A HN 0.303 nan 8.150 nan 0.000 0.444 969 T N -0.556 114.019 114.554 0.035 0.000 2.857 969 T HA -0.067 4.283 4.350 0.000 0.000 0.266 969 T C 1.858 176.582 174.700 0.040 0.000 1.048 969 T CA 1.342 63.457 62.100 0.026 0.000 1.139 969 T CB -0.295 68.582 68.868 0.015 0.000 0.874 969 T HN 0.155 nan 8.240 nan 0.000 0.455 970 V N 1.690 121.642 119.914 0.062 0.000 2.295 970 V HA -0.180 3.940 4.120 0.000 0.000 0.246 970 V C 2.457 178.666 176.094 0.192 0.000 1.049 970 V CA 1.689 64.049 62.300 0.099 0.000 1.024 970 V CB -0.571 31.309 31.823 0.096 0.000 0.648 970 V HN 0.495 nan 8.190 nan 0.000 0.447 971 M N -0.809 118.900 119.600 0.181 0.000 2.213 971 M HA -0.174 4.306 4.480 0.000 0.000 0.263 971 M C 2.103 178.422 176.300 0.032 0.000 1.062 971 M CA 1.709 57.082 55.300 0.122 0.000 1.105 971 M CB -0.378 32.254 32.600 0.054 0.000 1.385 971 M HN 0.209 nan 8.290 nan 0.000 0.417 972 K N -0.489 119.930 120.400 0.032 0.000 2.365 972 K HA 0.002 4.322 4.320 0.000 0.000 0.197 972 K C 1.714 178.316 176.600 0.003 0.000 1.042 972 K CA 0.678 56.968 56.287 0.005 0.000 0.987 972 K CB 0.265 32.766 32.500 0.002 0.000 0.779 972 K HN 0.343 nan 8.250 nan 0.000 0.484 973 R N -0.313 120.199 120.500 0.019 0.000 2.342 973 R HA 0.153 4.493 4.340 0.000 0.000 0.204 973 R C 0.010 176.306 176.300 -0.007 0.000 0.882 973 R CA -0.046 56.051 56.100 -0.005 0.000 1.041 973 R CB 0.915 31.200 30.300 -0.026 0.000 1.188 973 R HN -0.139 nan 8.270 nan 0.000 0.598 974 V N 1.964 121.911 119.914 0.055 0.000 2.509 974 V HA 0.247 4.368 4.120 0.000 0.000 0.284 974 V C -0.400 175.764 176.094 0.117 0.000 1.047 974 V CA -0.306 62.014 62.300 0.034 0.000 0.952 974 V CB 1.500 33.346 31.823 0.040 0.000 0.988 974 V HN 0.080 nan 8.190 nan 0.000 0.469 975 D N 1.927 122.268 120.400 -0.098 0.000 2.664 975 D HA 0.620 5.260 4.640 0.000 0.000 0.292 975 D C -1.559 174.534 176.300 -0.345 0.000 1.214 975 D CA -0.317 53.673 54.000 -0.016 0.000 0.932 975 D CB 2.105 42.917 40.800 0.019 0.000 1.420 975 D HN 0.217 nan 8.370 nan 0.000 0.471 976 F N 0.009 120.047 119.950 0.146 0.000 2.599 976 F HA 0.612 5.139 4.527 0.000 0.000 0.311 976 F C 0.646 176.492 175.800 0.076 0.000 1.076 976 F CA -0.832 57.236 58.000 0.114 0.000 0.937 976 F CB 1.730 40.796 39.000 0.111 0.000 1.282 976 F HN -0.057 nan 8.300 nan 0.000 0.460 977 R N 0.135 120.791 120.500 0.261 0.000 2.960 977 R HA 0.372 4.712 4.340 0.000 0.000 0.249 977 R C -0.329 176.043 176.300 0.121 0.000 1.192 977 R CA -1.179 54.996 56.100 0.126 0.000 1.035 977 R CB 0.852 31.179 30.300 0.045 0.000 1.234 977 R HN 0.854 nan 8.270 nan 0.000 0.493 978 N N 0.571 119.301 118.700 0.050 0.000 2.714 978 N HA -0.196 4.544 4.740 0.000 0.000 0.253 978 N C -1.067 174.467 175.510 0.041 0.000 1.024 978 N CA 0.853 53.925 53.050 0.036 0.000 0.726 978 N CB -0.335 38.179 38.487 0.045 0.000 0.908 978 N HN 0.693 nan 8.380 nan 0.000 0.542 979 T N -1.858 112.718 114.554 0.038 0.000 2.926 979 T HA 0.831 5.181 4.350 0.000 0.000 0.289 979 T C 0.761 175.469 174.700 0.014 0.000 1.054 979 T CA 0.181 62.297 62.100 0.027 0.000 1.015 979 T CB 2.156 71.052 68.868 0.047 0.000 1.167 979 T HN 0.874 nan 8.240 nan 0.000 0.526 980 G N -0.093 108.712 108.800 0.009 0.000 2.660 980 G HA2 0.280 4.240 3.960 0.000 0.000 0.247 980 G HA3 0.280 4.240 3.960 0.000 0.000 0.247 980 G C 0.783 175.686 174.900 0.005 0.000 1.328 980 G CA -0.126 44.978 45.100 0.007 0.000 0.884 980 G HN 1.620 nan 8.290 nan 0.000 0.531 981 A N -1.303 121.519 122.820 0.004 0.000 2.067 981 A HA 0.197 4.517 4.320 0.000 0.000 0.219 981 A C 1.605 179.189 177.584 0.000 0.000 1.158 981 A CA 2.392 54.431 52.037 0.003 0.000 0.661 981 A CB -0.157 18.844 19.000 0.002 0.000 0.801 981 A HN 0.602 nan 8.150 nan 0.000 0.452 982 D N -0.048 120.351 120.400 -0.002 0.000 2.358 982 D HA 0.076 4.716 4.640 0.000 0.000 0.224 982 D C 0.673 176.969 176.300 -0.006 0.000 1.123 982 D CA -0.050 53.947 54.000 -0.005 0.000 0.833 982 D CB -0.079 40.717 40.800 -0.007 0.000 0.946 982 D HN 0.819 nan 8.370 nan 0.000 0.505 983 Q N -0.025 119.773 119.800 -0.004 0.000 2.417 983 Q HA 0.166 4.506 4.340 0.000 0.000 0.241 983 Q C -0.271 175.723 176.000 -0.009 0.000 1.008 983 Q CA -0.212 55.589 55.803 -0.004 0.000 0.901 983 Q CB 0.855 29.592 28.738 -0.001 0.000 1.259 983 Q HN 0.008 nan 8.270 nan 0.000 0.489 984 Q N 1.790 121.583 119.800 -0.013 0.000 2.377 984 Q HA 0.184 4.524 4.340 0.000 0.000 0.249 984 Q C -0.712 175.271 176.000 -0.028 0.000 1.005 984 Q CA -0.300 55.489 55.803 -0.023 0.000 0.912 984 Q CB 1.171 29.893 28.738 -0.027 0.000 1.223 984 Q HN 0.588 nan 8.270 nan 0.000 0.459 985 T N 1.469 116.006 114.554 -0.028 0.000 2.905 985 T HA 0.096 4.446 4.350 0.000 0.000 0.299 985 T C 1.314 175.982 174.700 -0.053 0.000 1.024 985 T CA 1.150 63.233 62.100 -0.029 0.000 1.151 985 T CB 0.392 69.249 68.868 -0.018 0.000 0.987 985 T HN 0.994 nan 8.240 nan 0.000 0.535 986 G N 1.782 110.555 108.800 -0.045 0.000 2.217 986 G HA2 -0.220 3.741 3.960 0.000 0.000 0.246 986 G HA3 -0.220 3.741 3.960 0.000 0.000 0.246 986 G C -0.010 174.846 174.900 -0.074 0.000 0.990 986 G CA 0.020 45.078 45.100 -0.069 0.000 0.627 986 G HN 0.771 nan 8.290 nan 0.000 0.522 987 L N 2.198 123.389 121.223 -0.054 0.000 2.261 987 L HA 0.726 5.066 4.340 0.000 0.000 0.289 987 L C 0.119 176.999 176.870 0.016 0.000 1.059 987 L CA -0.729 54.093 54.840 -0.031 0.000 0.816 987 L CB 0.691 42.734 42.059 -0.027 0.000 1.191 987 L HN 0.157 nan 8.230 nan 0.000 0.431 988 L N 6.385 127.631 121.223 0.038 0.000 2.265 988 L HA 0.543 4.883 4.340 0.000 0.000 0.289 988 L C -0.711 176.248 176.870 0.148 0.000 1.033 988 L CA -0.713 54.184 54.840 0.095 0.000 0.814 988 L CB 1.462 43.572 42.059 0.086 0.000 1.203 988 L HN 0.300 nan 8.230 nan 0.000 0.423 989 V N 4.831 124.879 119.914 0.222 0.000 2.376 989 V HA 0.421 4.541 4.120 0.000 0.000 0.287 989 V C -0.133 176.115 176.094 0.256 0.000 1.015 989 V CA -0.316 62.116 62.300 0.220 0.000 0.834 989 V CB 1.743 33.695 31.823 0.215 0.000 1.001 989 V HN 0.779 nan 8.190 nan 0.000 0.428 990 M N 5.089 124.745 119.600 0.093 0.000 2.383 990 M HA 0.673 5.154 4.480 0.000 0.000 0.325 990 M C -0.121 176.070 176.300 -0.183 0.000 1.092 990 M CA -0.173 54.977 55.300 -0.250 0.000 0.961 990 M CB 2.120 34.532 32.600 -0.312 0.000 1.672 990 M HN 0.779 nan 8.290 nan 0.000 0.438 991 T N 2.748 117.162 114.554 -0.234 0.000 2.888 991 T HA 0.733 5.083 4.350 0.000 0.000 0.284 991 T C -0.518 174.075 174.700 -0.179 0.000 1.017 991 T CA -0.754 61.268 62.100 -0.131 0.000 1.022 991 T CB 1.185 70.059 68.868 0.009 0.000 1.013 991 T HN 0.633 nan 8.240 nan 0.000 0.465 992 I N 2.121 122.587 120.570 -0.174 0.000 2.468 992 I HA 0.319 4.489 4.170 0.000 0.000 0.285 992 I C -0.755 175.276 176.117 -0.143 0.000 1.039 992 I CA -0.885 60.309 61.300 -0.176 0.000 1.074 992 I CB 1.837 39.680 38.000 -0.261 0.000 1.228 992 I HN 0.647 nan 8.210 nan 0.000 0.436 993 D N 4.106 124.448 120.400 -0.096 0.000 2.304 993 D HA 0.152 4.792 4.640 0.000 0.000 0.250 993 D C -0.135 176.120 176.300 -0.075 0.000 1.107 993 D CA 0.433 54.390 54.000 -0.072 0.000 0.885 993 D CB 1.451 42.225 40.800 -0.043 0.000 1.192 993 D HN 0.529 nan 8.370 nan 0.000 0.436 994 D N 1.472 121.830 120.400 -0.070 0.000 2.594 994 D HA 0.245 4.885 4.640 0.000 0.000 0.256 994 D C 0.367 176.640 176.300 -0.045 0.000 1.393 994 D CA -0.317 53.646 54.000 -0.063 0.000 0.797 994 D CB 0.282 41.035 40.800 -0.078 0.000 1.110 994 D HN 0.397 nan 8.370 nan 0.000 0.495 995 G N -0.019 108.758 108.800 -0.038 0.000 2.557 995 G HA2 0.282 4.242 3.960 0.000 0.000 0.292 995 G HA3 0.282 4.242 3.960 0.000 0.000 0.292 995 G C 1.230 176.116 174.900 -0.022 0.000 1.237 995 G CA -0.470 44.614 45.100 -0.027 0.000 0.978 995 G HN 0.110 nan 8.290 nan 0.000 0.498 996 M N -0.713 118.876 119.600 -0.017 0.000 2.143 996 M HA -0.210 4.270 4.480 0.000 0.000 0.258 996 M C 2.537 178.829 176.300 -0.014 0.000 1.071 996 M CA 1.749 57.040 55.300 -0.014 0.000 1.088 996 M CB -0.306 32.287 32.600 -0.012 0.000 1.360 996 M HN 0.568 nan 8.290 nan 0.000 0.404 997 Q N -0.577 119.215 119.800 -0.014 0.000 2.435 997 Q HA 0.022 4.362 4.340 0.000 0.000 0.207 997 Q C 2.069 178.061 176.000 -0.014 0.000 0.956 997 Q CA 0.968 56.764 55.803 -0.013 0.000 0.917 997 Q CB -0.053 28.678 28.738 -0.012 0.000 0.997 997 Q HN 0.599 nan 8.270 nan 0.000 0.497 998 A N 0.365 123.174 122.820 -0.017 0.000 2.030 998 A HA 0.368 4.688 4.320 0.000 0.000 0.215 998 A C 1.161 178.736 177.584 -0.015 0.000 1.164 998 A CA 1.198 53.224 52.037 -0.018 0.000 0.697 998 A CB 0.118 19.103 19.000 -0.025 0.000 0.827 998 A HN 0.433 nan 8.150 nan 0.000 0.457 999 G N -1.701 107.090 108.800 -0.015 0.000 2.204 999 G HA2 0.443 4.403 3.960 0.000 0.000 0.153 999 G HA3 0.443 4.403 3.960 0.000 0.000 0.153 999 G C 0.111 175.002 174.900 -0.014 0.000 1.295 999 G CA -0.188 44.904 45.100 -0.013 0.000 1.257 999 G HN 1.363 nan 8.290 nan 0.000 0.495 1000 A N -0.221 122.591 122.820 -0.014 0.000 2.322 1000 A HA 0.739 5.059 4.320 0.000 0.000 0.269 1000 A C 0.892 178.464 177.584 -0.020 0.000 1.094 1000 A CA 1.183 53.211 52.037 -0.015 0.000 0.807 1000 A CB 0.815 19.808 19.000 -0.012 0.000 1.047 1000 A HN 2.106 nan 8.150 nan 0.000 0.487 1001 S N 0.729 116.417 115.700 -0.021 0.000 2.481 1001 S HA 0.288 4.758 4.470 0.000 0.000 0.276 1001 S C 0.750 175.335 174.600 -0.025 0.000 1.247 1001 S CA -0.513 57.672 58.200 -0.026 0.000 1.053 1001 S CB -0.440 62.746 63.200 -0.024 0.000 0.925 1001 S HN 0.525 nan 8.310 nan 0.000 0.491 1002 L N 3.122 124.326 121.223 -0.032 0.000 2.529 1002 L HA 0.356 4.696 4.340 0.000 0.000 0.223 1002 L C 0.440 177.293 176.870 -0.029 0.000 1.113 1002 L CA 0.173 54.996 54.840 -0.029 0.000 0.861 1002 L CB 0.081 42.120 42.059 -0.033 0.000 1.012 1002 L HN 0.527 nan 8.230 nan 0.000 0.461 1003 D N -0.746 119.632 120.400 -0.037 0.000 2.575 1003 D HA 0.102 4.742 4.640 0.000 0.000 0.250 1003 D C 0.900 177.182 176.300 -0.031 0.000 1.279 1003 D CA -0.062 53.917 54.000 -0.034 0.000 0.925 1003 D CB 1.674 42.443 40.800 -0.051 0.000 1.261 1003 D HN -0.051 nan 8.370 nan 0.000 0.567 1004 S N 3.429 119.116 115.700 -0.022 0.000 2.474 1004 S HA -0.091 4.379 4.470 0.000 0.000 0.235 1004 S C 1.460 176.048 174.600 -0.020 0.000 0.997 1004 S CA 0.522 58.710 58.200 -0.019 0.000 0.949 1004 S CB 0.050 63.242 63.200 -0.014 0.000 0.766 1004 S HN 0.483 nan 8.310 nan 0.000 0.517 1005 R N 0.713 121.200 120.500 -0.021 0.000 2.210 1005 R HA 0.247 4.587 4.340 0.000 0.000 0.203 1005 R C 0.529 176.811 176.300 -0.029 0.000 1.010 1005 R CA 0.782 56.870 56.100 -0.020 0.000 1.008 1005 R CB 0.202 30.494 30.300 -0.014 0.000 0.923 1005 R HN 0.546 nan 8.270 nan 0.000 0.469 1006 V N -2.994 116.896 119.914 -0.040 0.000 3.078 1006 V HA 0.379 4.500 4.120 0.000 0.000 0.311 1006 V C -0.644 175.415 176.094 -0.058 0.000 1.138 1006 V CA -0.947 61.322 62.300 -0.053 0.000 1.007 1006 V CB 2.628 34.408 31.823 -0.071 0.000 1.045 1006 V HN -0.159 nan 8.190 nan 0.000 0.432 1007 D N 1.412 121.776 120.400 -0.059 0.000 2.369 1007 D HA 0.467 5.107 4.640 0.000 0.000 0.211 1007 D C 0.603 176.860 176.300 -0.072 0.000 1.077 1007 D CA 1.373 55.340 54.000 -0.055 0.000 0.842 1007 D CB 1.358 42.134 40.800 -0.040 0.000 0.947 1007 D HN 1.185 nan 8.370 nan 0.000 0.509 1008 G N 0.162 108.903 108.800 -0.097 0.000 2.355 1008 G HA2 0.460 4.420 3.960 0.000 0.000 0.296 1008 G HA3 0.460 4.420 3.960 0.000 0.000 0.296 1008 G C -1.740 173.059 174.900 -0.168 0.000 1.507 1008 G CA -0.736 44.288 45.100 -0.126 0.000 0.823 1008 G HN 0.001 nan 8.290 nan 0.000 0.569 1009 I N -0.079 120.362 120.570 -0.215 0.000 2.686 1009 I HA 0.562 4.732 4.170 0.000 0.000 0.295 1009 I C -0.621 175.351 176.117 -0.241 0.000 1.114 1009 I CA -1.242 59.909 61.300 -0.248 0.000 1.038 1009 I CB 2.615 40.383 38.000 -0.387 0.000 1.238 1009 I HN 0.298 nan 8.210 nan 0.000 0.420 1010 V N 5.948 125.720 119.914 -0.237 0.000 2.487 1010 V HA 0.423 4.543 4.120 0.000 0.000 0.298 1010 V C -0.397 175.631 176.094 -0.110 0.000 1.028 1010 V CA -0.705 61.445 62.300 -0.249 0.000 0.860 1010 V CB 2.130 33.635 31.823 -0.530 0.000 0.991 1010 V HN 0.372 nan 8.190 nan 0.000 0.427 1011 V N 4.123 124.015 119.914 -0.037 0.000 2.357 1011 V HA 0.775 4.895 4.120 0.000 0.000 0.284 1011 V C 0.294 176.415 176.094 0.045 0.000 1.018 1011 V CA -0.378 61.947 62.300 0.041 0.000 0.841 1011 V CB 1.558 33.443 31.823 0.103 0.000 0.991 1011 V HN 0.984 nan 8.190 nan 0.000 0.437 1012 A N 7.071 129.913 122.820 0.036 0.000 2.311 1012 A HA 0.822 5.142 4.320 0.000 0.000 0.306 1012 A C -0.768 176.834 177.584 0.030 0.000 1.189 1012 A CA -0.435 51.631 52.037 0.049 0.000 0.791 1012 A CB 0.552 19.579 19.000 0.045 0.000 1.172 1012 A HN 0.594 nan 8.150 nan 0.000 0.481 1013 I N 2.952 123.544 120.570 0.036 0.000 2.359 1013 I HA 0.223 4.393 4.170 0.000 0.000 0.284 1013 I C 0.144 176.255 176.117 -0.010 0.000 1.018 1013 I CA -0.161 61.150 61.300 0.018 0.000 1.173 1013 I CB 1.013 39.034 38.000 0.035 0.000 1.326 1013 I HN 0.803 nan 8.210 nan 0.000 0.462 1014 N N 5.490 124.161 118.700 -0.047 0.000 2.918 1014 N HA 0.338 5.078 4.740 0.000 0.000 0.247 1014 N C 0.017 175.378 175.510 -0.248 0.000 1.117 1014 N CA -0.234 52.738 53.050 -0.129 0.000 1.005 1014 N CB 0.770 39.176 38.487 -0.135 0.000 1.297 1014 N HN 0.702 nan 8.380 nan 0.000 0.513 1015 A N 2.608 125.291 122.820 -0.228 0.000 3.091 1015 A HA 0.558 4.878 4.320 0.000 0.000 0.264 1015 A C -0.036 177.019 177.584 -0.882 0.000 1.673 1015 A CA -0.285 51.550 52.037 -0.336 0.000 1.362 1015 A CB -0.360 18.668 19.000 0.048 0.000 1.137 1015 A HN 0.632 nan 8.150 nan 0.000 0.617 1016 A N 1.815 123.753 122.820 -1.470 0.000 2.612 1016 A HA 0.815 5.136 4.320 0.000 0.000 0.293 1016 A C -2.703 174.136 177.584 -1.242 0.000 1.075 1016 A CA -1.034 50.324 52.037 -1.133 0.000 0.680 1016 A CB 0.970 19.675 19.000 -0.492 0.000 1.279 1016 A HN 0.151 nan 8.150 nan 0.000 0.411 1017 P HA 0.115 nan 4.420 nan 0.000 0.249 1017 P C 0.010 177.241 177.300 -0.115 0.000 1.229 1017 P CA 0.685 63.695 63.100 -0.150 0.000 0.788 1017 P CB 0.420 32.201 31.700 0.136 0.000 1.072 1018 E N -0.429 119.665 120.200 -0.177 0.000 2.249 1018 E HA 0.409 4.759 4.350 0.000 0.000 0.263 1018 E C -0.279 176.253 176.600 -0.113 0.000 0.950 1018 E CA -0.862 55.476 56.400 -0.102 0.000 0.827 1018 E CB 1.327 30.979 29.700 -0.081 0.000 1.220 1018 E HN -0.139 nan 8.360 nan 0.000 0.411 1019 S N 1.065 116.728 115.700 -0.062 0.000 2.565 1019 S HA 0.391 4.861 4.470 0.000 0.000 0.274 1019 S C -0.271 174.299 174.600 -0.050 0.000 1.309 1019 S CA -0.432 57.738 58.200 -0.050 0.000 1.043 1019 S CB 0.593 63.781 63.200 -0.021 0.000 0.939 1019 S HN 0.248 nan 8.310 nan 0.000 0.504 1020 R N 1.258 121.730 120.500 -0.046 0.000 2.599 1020 R HA 0.576 4.917 4.340 0.000 0.000 0.295 1020 R C -0.720 175.574 176.300 -0.010 0.000 0.963 1020 R CA -0.321 55.758 56.100 -0.034 0.000 0.883 1020 R CB 1.731 32.004 30.300 -0.046 0.000 1.171 1020 R HN 0.529 nan 8.270 nan 0.000 0.450 1021 T N 3.583 118.135 114.554 -0.004 0.000 2.823 1021 T HA 0.572 4.922 4.350 0.000 0.000 0.279 1021 T C -0.510 174.199 174.700 0.015 0.000 0.998 1021 T CA -0.611 61.495 62.100 0.010 0.000 0.994 1021 T CB 0.771 69.642 68.868 0.005 0.000 0.960 1021 T HN 0.177 nan 8.240 nan 0.000 0.448 1022 L N 2.937 124.182 121.223 0.038 0.000 2.346 1022 L HA 0.478 4.818 4.340 0.000 0.000 0.276 1022 L C 0.758 177.640 176.870 0.021 0.000 1.006 1022 L CA -0.746 54.116 54.840 0.037 0.000 0.817 1022 L CB 1.922 44.053 42.059 0.120 0.000 1.272 1022 L HN 0.501 nan 8.230 nan 0.000 0.421 1023 Q N 0.524 120.296 119.800 -0.046 0.000 2.189 1023 Q HA 0.066 4.406 4.340 0.000 0.000 0.223 1023 Q C 0.593 176.502 176.000 -0.153 0.000 0.828 1023 Q CA 0.070 55.839 55.803 -0.057 0.000 0.967 1023 Q CB 0.836 29.546 28.738 -0.048 0.000 1.139 1023 Q HN 0.662 nan 8.270 nan 0.000 0.497 1024 D N 0.333 120.534 120.400 -0.331 0.000 2.265 1024 D HA -0.131 4.509 4.640 0.000 0.000 0.208 1024 D C 0.271 176.103 176.300 -0.779 0.000 0.977 1024 D CA 1.099 54.708 54.000 -0.651 0.000 0.871 1024 D CB 0.089 40.270 40.800 -1.031 0.000 0.925 1024 D HN 0.284 nan 8.370 nan 0.000 0.485 1025 F N 0.440 120.386 119.950 -0.006 0.000 2.855 1025 F HA 0.372 4.899 4.527 0.000 0.000 0.317 1025 F C 0.713 176.508 175.800 -0.008 0.000 1.169 1025 F CA -0.795 57.200 58.000 -0.009 0.000 1.299 1025 F CB 0.252 39.245 39.000 -0.011 0.000 0.962 1025 F HN -0.254 nan 8.300 nan 0.000 0.506 1026 A N 0.517 123.378 122.820 0.067 0.000 2.492 1026 A HA 0.458 4.778 4.320 0.000 0.000 0.254 1026 A C 1.419 179.032 177.584 0.048 0.000 1.091 1026 A CA 0.651 52.718 52.037 0.051 0.000 0.768 1026 A CB -0.489 18.519 19.000 0.012 0.000 1.028 1026 A HN 1.082 nan 8.150 nan 0.000 0.498 1027 G N 1.829 110.657 108.800 0.047 0.000 2.137 1027 G HA2 -0.227 3.733 3.960 0.000 0.000 0.237 1027 G HA3 -0.227 3.733 3.960 0.000 0.000 0.237 1027 G C 0.673 175.599 174.900 0.043 0.000 1.002 1027 G CA 1.297 46.418 45.100 0.035 0.000 0.702 1027 G HN 1.983 nan 8.290 nan 0.000 0.515 1028 T N -3.608 110.985 114.554 0.064 0.000 2.990 1028 T HA 0.460 4.810 4.350 0.000 0.000 0.250 1028 T C 1.395 176.112 174.700 0.028 0.000 1.041 1028 T CA 1.188 63.323 62.100 0.059 0.000 1.010 1028 T CB 0.190 69.123 68.868 0.108 0.000 1.003 1028 T HN 1.372 nan 8.240 nan 0.000 0.499 1029 S N 0.532 116.248 115.700 0.026 0.000 3.748 1029 S HA -0.108 4.362 4.470 0.000 0.000 0.329 1029 S C -0.103 174.493 174.600 -0.008 0.000 1.104 1029 S CA 0.035 58.240 58.200 0.008 0.000 0.954 1029 S CB -2.244 60.958 63.200 0.003 0.000 0.910 1029 S HN 0.643 nan 8.310 nan 0.000 0.494 1030 L N 1.854 123.070 121.223 -0.012 0.000 2.456 1030 L HA 0.326 4.666 4.340 0.000 0.000 0.272 1030 L C 0.520 177.363 176.870 -0.045 0.000 1.189 1030 L CA 1.296 56.102 54.840 -0.057 0.000 0.846 1030 L CB 0.496 42.496 42.059 -0.099 0.000 1.111 1030 L HN 0.410 nan 8.230 nan 0.000 0.475 1031 Q N 3.374 123.141 119.800 -0.055 0.000 2.397 1031 Q HA 0.435 4.775 4.340 0.000 0.000 0.275 1031 Q C -1.314 174.662 176.000 -0.040 0.000 1.090 1031 Q CA -1.238 54.543 55.803 -0.036 0.000 0.809 1031 Q CB 2.498 31.220 28.738 -0.025 0.000 1.362 1031 Q HN 0.503 nan 8.270 nan 0.000 0.431 1032 L N 1.981 123.190 121.223 -0.024 0.000 2.416 1032 L HA 0.159 4.499 4.340 0.000 0.000 0.272 1032 L C -0.104 176.760 176.870 -0.009 0.000 1.161 1032 L CA 0.416 55.246 54.840 -0.017 0.000 0.845 1032 L CB 1.004 43.060 42.059 -0.005 0.000 1.119 1032 L HN 0.778 nan 8.230 nan 0.000 0.464 1033 S N 3.793 119.491 115.700 -0.002 0.000 2.558 1033 S HA 0.175 4.645 4.470 0.000 0.000 0.291 1033 S C 1.372 175.979 174.600 0.011 0.000 1.306 1033 S CA -0.107 58.099 58.200 0.010 0.000 1.056 1033 S CB 0.661 63.880 63.200 0.031 0.000 0.836 1033 S HN 0.976 nan 8.310 nan 0.000 0.504 1034 A N 3.532 126.359 122.820 0.011 0.000 1.978 1034 A HA -0.051 4.269 4.320 0.000 0.000 0.220 1034 A C 1.977 179.570 177.584 0.014 0.000 1.170 1034 A CA 1.423 53.467 52.037 0.010 0.000 0.636 1034 A CB -0.872 18.133 19.000 0.008 0.000 0.810 1034 A HN 0.916 nan 8.150 nan 0.000 0.448 1035 I N -0.648 119.933 120.570 0.017 0.000 2.163 1035 I HA -0.340 3.830 4.170 0.000 0.000 0.243 1035 I C 2.806 178.936 176.117 0.021 0.000 1.085 1035 I CA 1.725 63.035 61.300 0.017 0.000 1.347 1035 I CB -0.397 37.611 38.000 0.015 0.000 1.044 1035 I HN 0.467 nan 8.210 nan 0.000 0.408 1036 Q N -0.138 119.675 119.800 0.022 0.000 2.123 1036 Q HA -0.239 4.101 4.340 0.000 0.000 0.199 1036 Q C 2.211 178.230 176.000 0.031 0.000 0.966 1036 Q CA 1.102 56.923 55.803 0.030 0.000 0.845 1036 Q CB -0.092 28.660 28.738 0.024 0.000 0.907 1036 Q HN 0.505 nan 8.270 nan 0.000 0.439 1037 Q N 0.402 120.215 119.800 0.022 0.000 2.084 1037 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 1037 Q C 1.953 177.967 176.000 0.022 0.000 0.978 1037 Q CA 1.489 57.304 55.803 0.021 0.000 0.844 1037 Q CB -0.113 28.634 28.738 0.014 0.000 0.898 1037 Q HN 0.397 nan 8.270 nan 0.000 0.426 1038 A N 0.109 122.942 122.820 0.020 0.000 2.019 1038 A HA -0.081 4.239 4.320 0.000 0.000 0.219 1038 A C 2.096 179.694 177.584 0.023 0.000 1.164 1038 A CA 1.464 53.512 52.037 0.018 0.000 0.644 1038 A CB -0.665 18.343 19.000 0.015 0.000 0.805 1038 A HN 0.476 nan 8.150 nan 0.000 0.449 1039 A N -1.313 121.527 122.820 0.033 0.000 2.167 1039 A HA 0.409 4.729 4.320 0.000 0.000 0.214 1039 A C 1.914 179.525 177.584 0.045 0.000 1.151 1039 A CA 1.411 53.474 52.037 0.043 0.000 0.735 1039 A CB -1.172 17.869 19.000 0.067 0.000 0.802 1039 A HN 1.885 nan 8.150 nan 0.000 0.467 1040 G N 0.988 109.812 108.800 0.040 0.000 2.611 1040 G HA2 -0.446 3.515 3.960 0.000 0.000 0.301 1040 G HA3 -0.446 3.515 3.960 0.000 0.000 0.301 1040 G C 0.428 175.360 174.900 0.055 0.000 1.233 1040 G CA 0.889 46.013 45.100 0.039 0.000 0.993 1040 G HN 0.924 nan 8.290 nan 0.000 0.553 1041 D N 0.462 120.891 120.400 0.050 0.000 2.352 1041 D HA 0.086 4.726 4.640 0.000 0.000 0.232 1041 D C 1.926 178.278 176.300 0.086 0.000 1.055 1041 D CA 0.782 54.821 54.000 0.064 0.000 0.891 1041 D CB -0.139 40.689 40.800 0.048 0.000 0.897 1041 D HN 0.600 nan 8.370 nan 0.000 0.529 1042 R N -0.362 120.187 120.500 0.082 0.000 2.362 1042 R HA 0.191 4.531 4.340 0.000 0.000 0.227 1042 R C 0.570 177.000 176.300 0.215 0.000 0.905 1042 R CA -0.161 55.987 56.100 0.081 0.000 1.067 1042 R CB 0.476 30.779 30.300 0.006 0.000 1.078 1042 R HN 0.019 nan 8.270 nan 0.000 0.516 1043 S N 0.192 116.018 115.700 0.210 0.000 2.601 1043 S HA 0.183 4.653 4.470 0.000 0.000 0.271 1043 S C 1.218 175.966 174.600 0.246 0.000 1.305 1043 S CA -0.586 57.752 58.200 0.229 0.000 1.022 1043 S CB 0.865 64.134 63.200 0.115 0.000 0.940 1043 S HN 0.198 nan 8.310 nan 0.000 0.525 1044 L N 2.724 124.006 121.223 0.098 0.000 2.362 1044 L HA 0.037 4.377 4.340 0.000 0.000 0.219 1044 L C 2.054 178.891 176.870 -0.055 0.000 1.134 1044 L CA 1.002 55.736 54.840 -0.178 0.000 0.807 1044 L CB -0.414 41.468 42.059 -0.296 0.000 0.927 1044 L HN 0.819 nan 8.230 nan 0.000 0.447 1045 A N -1.339 121.487 122.820 0.011 0.000 2.423 1045 A HA 0.093 4.413 4.320 0.000 0.000 0.246 1045 A C 0.995 178.600 177.584 0.036 0.000 1.278 1045 A CA -0.120 51.925 52.037 0.015 0.000 0.903 1045 A CB -0.041 18.966 19.000 0.013 0.000 0.997 1045 A HN 0.181 nan 8.150 nan 0.000 0.510 1046 S N -0.026 115.712 115.700 0.062 0.000 2.544 1046 S HA 0.385 4.855 4.470 0.000 0.000 0.290 1046 S C 1.455 176.086 174.600 0.053 0.000 1.276 1046 S CA 1.144 59.386 58.200 0.069 0.000 1.075 1046 S CB -0.025 63.236 63.200 0.101 0.000 0.849 1046 S HN 1.834 nan 8.310 nan 0.000 0.494 1047 G N 3.088 111.913 108.800 0.042 0.000 2.195 1047 G HA2 -0.234 3.726 3.960 0.000 0.000 0.246 1047 G HA3 -0.234 3.726 3.960 0.000 0.000 0.246 1047 G C 0.182 175.097 174.900 0.026 0.000 0.984 1047 G CA -0.043 45.078 45.100 0.035 0.000 0.633 1047 G HN 1.012 nan 8.290 nan 0.000 0.525 1048 V N 1.464 121.392 119.914 0.023 0.000 2.673 1048 V HA 0.341 4.461 4.120 0.000 0.000 0.303 1048 V C 0.657 176.761 176.094 0.017 0.000 1.046 1048 V CA 0.743 63.052 62.300 0.017 0.000 1.126 1048 V CB 1.332 33.162 31.823 0.012 0.000 0.934 1048 V HN 0.498 nan 8.190 nan 0.000 0.487 1049 Q N 3.272 123.082 119.800 0.016 0.000 2.331 1049 Q HA 0.578 4.918 4.340 0.000 0.000 0.267 1049 Q C -1.232 174.780 176.000 0.019 0.000 1.006 1049 Q CA -0.603 55.210 55.803 0.017 0.000 0.818 1049 Q CB 2.495 31.243 28.738 0.017 0.000 1.276 1049 Q HN 0.557 nan 8.270 nan 0.000 0.450 1050 V N 2.313 122.237 119.914 0.016 0.000 2.266 1050 V HA 0.462 4.582 4.120 0.000 0.000 0.271 1050 V C 0.106 176.211 176.094 0.018 0.000 1.032 1050 V CA -0.540 61.771 62.300 0.018 0.000 0.806 1050 V CB 0.685 32.514 31.823 0.010 0.000 1.052 1050 V HN 0.902 nan 8.190 nan 0.000 0.449 1051 A N 3.729 126.563 122.820 0.022 0.000 2.292 1051 A HA 0.713 5.033 4.320 0.000 0.000 0.265 1051 A C 1.701 179.297 177.584 0.019 0.000 1.133 1051 A CA 0.570 52.618 52.037 0.019 0.000 0.807 1051 A CB 0.288 19.300 19.000 0.019 0.000 1.102 1051 A HN 1.051 nan 8.150 nan 0.000 0.502 1052 A N -0.117 122.713 122.820 0.016 0.000 1.873 1052 A HA -0.098 4.223 4.320 0.000 0.000 0.215 1052 A C 1.378 178.972 177.584 0.017 0.000 1.186 1052 A CA 1.974 54.020 52.037 0.014 0.000 0.616 1052 A CB -1.100 17.906 19.000 0.011 0.000 0.823 1052 A HN 0.935 nan 8.150 nan 0.000 0.442 1053 D N -1.559 118.851 120.400 0.017 0.000 2.407 1053 D HA 0.239 4.879 4.640 0.000 0.000 0.234 1053 D C 1.166 177.483 176.300 0.028 0.000 1.029 1053 D CA 1.055 55.067 54.000 0.019 0.000 0.937 1053 D CB -0.733 40.076 40.800 0.015 0.000 0.882 1053 D HN 0.798 nan 8.370 nan 0.000 0.531 1054 G N -0.156 108.664 108.800 0.035 0.000 2.184 1054 G HA2 -0.335 3.625 3.960 0.000 0.000 0.264 1054 G HA3 -0.335 3.625 3.960 0.000 0.000 0.264 1054 G C 0.487 175.432 174.900 0.076 0.000 0.975 1054 G CA 0.516 45.648 45.100 0.054 0.000 0.642 1054 G HN 0.911 nan 8.290 nan 0.000 0.536 1055 S N -0.776 114.959 115.700 0.057 0.000 2.585 1055 S HA 0.651 5.122 4.470 0.000 0.000 0.273 1055 S C 0.073 174.714 174.600 0.069 0.000 1.339 1055 S CA -0.015 58.224 58.200 0.064 0.000 1.028 1055 S CB 2.441 65.663 63.200 0.036 0.000 0.906 1055 S HN 1.095 nan 8.310 nan 0.000 0.528 1056 V N 2.288 122.255 119.914 0.088 0.000 2.604 1056 V HA 0.577 4.697 4.120 0.000 0.000 0.305 1056 V C -0.076 176.050 176.094 0.053 0.000 1.043 1056 V CA -0.593 61.751 62.300 0.072 0.000 0.888 1056 V CB 2.010 33.891 31.823 0.096 0.000 0.995 1056 V HN 1.075 nan 8.190 nan 0.000 0.429 1057 T N 5.771 120.345 114.554 0.033 0.000 2.812 1057 T HA 0.720 5.070 4.350 0.000 0.000 0.282 1057 T C -0.791 173.917 174.700 0.013 0.000 0.990 1057 T CA -0.334 61.778 62.100 0.020 0.000 0.960 1057 T CB 1.266 70.142 68.868 0.015 0.000 0.948 1057 T HN 0.272 nan 8.240 nan 0.000 0.438 1058 L N 5.394 126.619 121.223 0.004 0.000 2.329 1058 L HA 0.555 4.895 4.340 0.000 0.000 0.279 1058 L C -2.281 174.577 176.870 -0.019 0.000 1.014 1058 L CA -2.041 52.795 54.840 -0.006 0.000 0.814 1058 L CB 1.365 43.416 42.059 -0.013 0.000 1.257 1058 L HN 0.374 nan 8.230 nan 0.000 0.424 1059 P HA 0.242 nan 4.420 nan 0.000 0.275 1059 P C -0.909 176.367 177.300 -0.040 0.000 1.266 1059 P CA -0.571 62.524 63.100 -0.007 0.000 0.793 1059 P CB 0.516 32.230 31.700 0.024 0.000 1.074 1060 A N -0.105 122.691 122.820 -0.041 0.000 2.466 1060 A HA 0.132 4.452 4.320 0.000 0.000 0.238 1060 A C -0.520 177.039 177.584 -0.042 0.000 1.074 1060 A CA -0.183 51.768 52.037 -0.144 0.000 0.774 1060 A CB -1.243 17.727 19.000 -0.051 0.000 1.015 1060 A HN 0.660 nan 8.150 nan 0.000 0.498 1061 W N 0.627 121.922 121.300 -0.007 0.000 7.223 1061 W HA -0.162 4.498 4.660 0.000 0.000 0.419 1061 W C 0.773 177.256 176.519 -0.060 0.000 1.661 1061 W CA 0.841 58.171 57.345 -0.025 0.000 1.173 1061 W CB -1.818 27.634 29.460 -0.012 0.000 2.887 1061 W HN 1.012 nan 8.180 nan 0.000 1.606 1062 S N -1.614 114.108 115.700 0.037 0.000 2.634 1062 S HA 0.918 5.388 4.470 0.000 0.000 0.296 1062 S C -0.758 173.824 174.600 -0.029 0.000 1.104 1062 S CA -1.169 57.025 58.200 -0.009 0.000 0.920 1062 S CB 2.962 66.157 63.200 -0.009 0.000 1.111 1062 S HN 0.153 nan 8.310 nan 0.000 0.493 1063 V N 0.776 120.658 119.914 -0.052 0.000 2.569 1063 V HA 0.825 4.945 4.120 0.000 0.000 0.301 1063 V C -0.317 175.759 176.094 -0.029 0.000 1.044 1063 V CA -0.395 61.880 62.300 -0.041 0.000 0.874 1063 V CB 1.227 33.010 31.823 -0.067 0.000 1.002 1063 V HN 1.312 nan 8.190 nan 0.000 0.424 1064 A N 4.361 127.174 122.820 -0.012 0.000 2.356 1064 A HA 0.885 5.206 4.320 0.000 0.000 0.310 1064 A C -1.082 176.501 177.584 -0.000 0.000 1.075 1064 A CA -0.583 51.449 52.037 -0.007 0.000 0.746 1064 A CB 1.905 20.900 19.000 -0.007 0.000 1.221 1064 A HN 0.668 nan 8.150 nan 0.000 0.443 1065 V N 4.528 124.448 119.914 0.009 0.000 2.334 1065 V HA 0.376 4.496 4.120 0.000 0.000 0.281 1065 V C -0.544 175.548 176.094 -0.004 0.000 1.016 1065 V CA -0.478 61.845 62.300 0.038 0.000 0.832 1065 V CB 1.006 32.894 31.823 0.108 0.000 0.999 1065 V HN 0.736 nan 8.190 nan 0.000 0.439 1066 L N 4.620 125.805 121.223 -0.063 0.000 2.334 1066 L HA 0.728 5.068 4.340 0.000 0.000 0.270 1066 L C 0.091 176.888 176.870 -0.123 0.000 1.018 1066 L CA -0.471 54.306 54.840 -0.106 0.000 0.811 1066 L CB 1.837 43.784 42.059 -0.187 0.000 1.271 1066 L HN 0.651 nan 8.230 nan 0.000 0.443 1067 E N 1.309 121.445 120.200 -0.106 0.000 2.393 1067 E HA 0.555 4.905 4.350 0.000 0.000 0.273 1067 E C -1.276 175.266 176.600 -0.097 0.000 0.918 1067 E CA -0.789 55.548 56.400 -0.104 0.000 0.773 1067 E CB 2.876 32.537 29.700 -0.065 0.000 1.275 1067 E HN 0.347 nan 8.360 nan 0.000 0.451 1068 L N 3.288 124.456 121.223 -0.092 0.000 2.283 1068 L HA 0.359 4.699 4.340 0.000 0.000 0.281 1068 L C -2.185 174.654 176.870 -0.051 0.000 1.033 1068 L CA -2.129 52.671 54.840 -0.067 0.000 0.848 1068 L CB 0.844 42.864 42.059 -0.064 0.000 1.226 1068 L HN 0.202 nan 8.230 nan 0.000 0.429 1069 P HA -0.083 nan 4.420 nan 0.000 0.264 1069 P C -0.914 176.370 177.300 -0.027 0.000 1.193 1069 P CA -0.003 63.079 63.100 -0.030 0.000 0.763 1069 P CB 0.862 32.549 31.700 -0.022 0.000 0.810 1070 Q N 2.043 121.828 119.800 -0.026 0.000 2.267 1070 Q HA 0.465 4.805 4.340 0.000 0.000 0.255 1070 Q C 0.535 176.525 176.000 -0.017 0.000 0.923 1070 Q CA -0.441 55.349 55.803 -0.023 0.000 0.925 1070 Q CB 0.792 29.515 28.738 -0.025 0.000 1.195 1070 Q HN 0.615 nan 8.270 nan 0.000 0.417 1071 G N 1.826 110.618 108.800 -0.015 0.000 2.773 1071 G HA2 -0.022 3.938 3.960 0.000 0.000 0.186 1071 G HA3 -0.022 3.938 3.960 0.000 0.000 0.186 1071 G C 0.357 175.250 174.900 -0.011 0.000 1.411 1071 G CA -0.035 45.058 45.100 -0.012 0.000 1.054 1071 G HN 0.764 nan 8.290 nan 0.000 0.579 1072 E N -0.532 119.662 120.200 -0.009 0.000 2.086 1072 E HA -0.068 4.282 4.350 0.000 0.000 0.200 1072 E C 0.897 177.491 176.600 -0.009 0.000 1.012 1072 E CA 1.474 57.869 56.400 -0.008 0.000 0.812 1072 E CB -0.150 29.546 29.700 -0.007 0.000 0.743 1072 E HN 0.262 nan 8.360 nan 0.000 0.453 1073 S N -0.906 114.788 115.700 -0.010 0.000 2.632 1073 S HA 0.230 4.700 4.470 0.000 0.000 0.289 1073 S C -1.153 173.440 174.600 -0.012 0.000 1.115 1073 S CA -0.838 57.356 58.200 -0.010 0.000 0.889 1073 S CB 1.601 64.795 63.200 -0.009 0.000 1.116 1073 S HN 0.286 nan 8.310 nan 0.000 0.486 1074 Q N 0.629 120.420 119.800 -0.014 0.000 2.283 1074 Q HA 0.238 4.578 4.340 0.000 0.000 0.301 1074 Q C 0.458 176.449 176.000 -0.015 0.000 1.063 1074 Q CA 0.116 55.910 55.803 -0.016 0.000 0.952 1074 Q CB 0.141 28.869 28.738 -0.017 0.000 1.166 1074 Q HN 0.825 nan 8.270 nan 0.000 0.381 1075 G N 1.618 110.408 108.800 -0.017 0.000 2.532 1075 G HA2 0.429 4.389 3.960 0.000 0.000 0.291 1075 G HA3 0.429 4.389 3.960 0.000 0.000 0.291 1075 G C 0.411 175.303 174.900 -0.014 0.000 1.349 1075 G CA 0.007 45.098 45.100 -0.015 0.000 1.038 1075 G HN 0.815 nan 8.290 nan 0.000 0.518 1076 A N -1.534 121.280 122.820 -0.010 0.000 1.930 1076 A HA 0.413 4.733 4.320 0.000 0.000 0.217 1076 A C 1.965 179.543 177.584 -0.009 0.000 1.175 1076 A CA 2.092 54.124 52.037 -0.007 0.000 0.627 1076 A CB -1.187 17.812 19.000 -0.001 0.000 0.815 1076 A HN 2.550 nan 8.150 nan 0.000 0.443 1077 G N -1.415 107.378 108.800 -0.012 0.000 2.539 1077 G HA2 -0.194 3.766 3.960 0.000 0.000 0.256 1077 G HA3 -0.194 3.766 3.960 0.000 0.000 0.256 1077 G C -0.152 174.748 174.900 -0.001 0.000 1.233 1077 G CA 0.041 45.131 45.100 -0.018 0.000 0.936 1077 G HN 0.902 nan 8.290 nan 0.000 0.571 1078 L N 2.179 123.399 121.223 -0.005 0.000 2.556 1078 L HA 0.343 4.683 4.340 0.000 0.000 0.243 1078 L C -1.968 174.907 176.870 0.008 0.000 1.331 1078 L CA -1.578 53.275 54.840 0.023 0.000 0.927 1078 L CB 1.648 43.725 42.059 0.030 0.000 1.219 1078 L HN 0.420 nan 8.230 nan 0.000 0.490 1079 P HA -0.020 nan 4.420 nan 0.000 0.265 1079 P C 0.140 177.438 177.300 -0.004 0.000 1.193 1079 P CA 0.085 63.182 63.100 -0.005 0.000 0.765 1079 P CB 1.246 32.943 31.700 -0.005 0.000 0.823 1080 V N 3.537 123.444 119.914 -0.012 0.000 2.673 1080 V HA -0.001 4.119 4.120 0.000 0.000 0.303 1080 V C 1.325 177.407 176.094 -0.020 0.000 1.046 1080 V CA 0.278 62.568 62.300 -0.016 0.000 1.126 1080 V CB 0.227 32.031 31.823 -0.031 0.000 0.934 1080 V HN 0.747 nan 8.190 nan 0.000 0.487 1081 S N 3.857 119.547 115.700 -0.016 0.000 2.545 1081 S HA 0.324 4.794 4.470 0.000 0.000 0.275 1081 S C 0.114 174.695 174.600 -0.031 0.000 1.299 1081 S CA -0.710 57.479 58.200 -0.019 0.000 1.048 1081 S CB 0.900 64.094 63.200 -0.011 0.000 0.938 1081 S HN 0.670 nan 8.310 nan 0.000 0.496 1082 S N 3.229 118.912 115.700 -0.028 0.000 2.533 1082 S HA 0.266 4.736 4.470 0.000 0.000 0.282 1082 S C 0.230 174.810 174.600 -0.032 0.000 1.304 1082 S CA -0.448 57.732 58.200 -0.033 0.000 1.063 1082 S CB 0.163 63.347 63.200 -0.026 0.000 0.881 1082 S HN 0.733 nan 8.310 nan 0.000 0.493 1083 K N 0.000 120.376 120.400 -0.040 0.000 2.780 1083 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1083 K CA 0.000 56.266 56.287 -0.035 0.000 0.838 1083 K CB 0.000 32.473 32.500 -0.045 0.000 1.064 1083 K HN 0.000 nan 8.250 nan 0.000 0.543