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 2fh6_1_A DATA FIRST_RESID 32 DATA SEQUENCE DVVVRLPXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXA 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 0.000 176.339 176.300 0.066 0.000 2.045 32 D CA 0.000 54.049 54.000 0.082 0.000 0.868 32 D CB 0.000 40.890 40.800 0.150 0.000 0.688 33 V N 0.823 120.761 119.914 0.039 0.000 3.332 33 V HA 0.115 4.235 4.120 -0.000 0.000 0.305 33 V C 0.705 176.808 176.094 0.014 0.000 1.114 33 V CA -0.268 62.045 62.300 0.022 0.000 1.194 33 V CB 1.084 32.911 31.823 0.007 0.000 1.027 33 V HN 0.339 nan 8.190 nan 0.000 0.492 34 V N 3.167 123.093 119.914 0.019 0.000 2.370 34 V HA 0.272 4.391 4.120 -0.000 0.000 0.283 34 V C 0.028 176.139 176.094 0.029 0.000 1.023 34 V CA -0.590 61.729 62.300 0.031 0.000 0.857 34 V CB 1.587 33.442 31.823 0.052 0.000 0.985 34 V HN 0.608 nan 8.190 nan 0.000 0.443 35 V N 7.298 127.227 119.914 0.025 0.000 2.585 35 V HA 0.393 4.513 4.120 -0.000 0.000 0.296 35 V C 0.500 176.678 176.094 0.140 0.000 1.035 35 V CA 0.069 62.370 62.300 0.001 0.000 1.084 35 V CB 0.435 32.158 31.823 -0.167 0.000 0.953 35 V HN 1.065 nan 8.190 nan 0.000 0.483 36 R N 4.149 124.718 120.500 0.114 0.000 2.781 36 R HA 0.702 5.042 4.340 -0.000 0.000 0.269 36 R C -1.318 175.051 176.300 0.115 0.000 1.025 36 R CA -1.146 55.049 56.100 0.159 0.000 0.914 36 R CB 1.228 31.565 30.300 0.062 0.000 1.236 36 R HN 0.404 nan 8.270 nan 0.000 0.465 37 L N 0.770 122.039 121.223 0.077 0.000 2.476 37 L HA 0.337 4.676 4.340 -0.000 0.000 0.255 37 L C -1.697 175.075 176.870 -0.164 0.000 1.218 37 L CA -1.881 52.934 54.840 -0.043 0.000 0.819 37 L CB -0.077 41.936 42.059 -0.077 0.000 1.119 37 L HN 0.466 nan 8.230 nan 0.000 0.485 172 F N 0.961 120.942 119.950 0.051 0.000 2.975 172 F HA 0.559 5.086 4.527 -0.000 0.000 0.311 172 F C 1.200 177.071 175.800 0.120 0.000 1.239 172 F CA 0.136 58.177 58.000 0.069 0.000 1.282 172 F CB 0.720 39.760 39.000 0.067 0.000 1.071 172 F HN 0.311 nan 8.300 nan 0.000 0.516 173 G N -0.598 108.318 108.800 0.194 0.000 3.211 173 G HA2 0.538 4.498 3.960 -0.000 0.000 0.262 173 G HA3 0.538 4.498 3.960 -0.000 0.000 0.262 173 G C -0.979 173.995 174.900 0.123 0.000 1.352 173 G CA -0.767 44.456 45.100 0.206 0.000 1.004 173 G HN -0.151 nan 8.290 nan 0.000 0.559 174 V N 0.674 120.658 119.914 0.117 0.000 2.540 174 V HA 0.428 4.547 4.120 -0.000 0.000 0.297 174 V C 0.691 176.822 176.094 0.061 0.000 1.024 174 V CA 0.644 62.984 62.300 0.067 0.000 1.105 174 V CB 0.093 31.956 31.823 0.067 0.000 0.938 174 V HN 1.076 nan 8.190 nan 0.000 0.482 175 A N 5.376 128.229 122.820 0.055 0.000 2.486 175 A HA 0.841 5.161 4.320 -0.000 0.000 0.300 175 A C -0.537 177.095 177.584 0.080 0.000 1.048 175 A CA -0.606 51.468 52.037 0.062 0.000 0.696 175 A CB 1.081 20.106 19.000 0.043 0.000 1.278 175 A HN 0.861 nan 8.150 nan 0.000 0.405 176 L N -0.978 120.300 121.223 0.091 0.000 7.336 176 L HA -0.176 4.164 4.340 -0.000 0.000 0.172 176 L C 0.514 177.460 176.870 0.126 0.000 1.169 176 L CA 0.686 55.591 54.840 0.108 0.000 1.369 176 L CB -0.746 41.377 42.059 0.107 0.000 2.701 176 L HN 1.897 nan 8.230 nan 0.000 1.115 177 A N 0.266 123.158 122.820 0.119 0.000 3.455 177 A HA 0.366 4.686 4.320 -0.000 0.000 0.225 177 A C 0.027 177.624 177.584 0.022 0.000 1.052 177 A CA 0.178 52.278 52.037 0.105 0.000 1.005 177 A CB -0.156 18.994 19.000 0.250 0.000 1.318 177 A HN 0.738 nan 8.150 nan 0.000 0.639 178 D N 0.246 120.702 120.400 0.093 0.000 2.336 178 D HA 0.347 4.987 4.640 -0.000 0.000 0.228 178 D C 0.442 176.925 176.300 0.305 0.000 1.120 178 D CA 0.572 54.711 54.000 0.231 0.000 0.839 178 D CB 0.368 41.362 40.800 0.323 0.000 0.932 178 D HN 0.459 nan 8.370 nan 0.000 0.509 179 A N 0.686 123.478 122.820 -0.047 0.000 2.292 179 A HA 0.472 4.792 4.320 -0.000 0.000 0.319 179 A C -0.683 176.840 177.584 -0.102 0.000 1.206 179 A CA -0.650 51.362 52.037 -0.041 0.000 0.835 179 A CB 0.601 19.288 19.000 -0.523 0.000 1.164 179 A HN 0.319 nan 8.150 nan 0.000 0.505 180 H N 1.920 121.121 119.070 0.218 0.000 2.708 180 H HA 0.142 4.698 4.556 -0.000 0.000 0.320 180 H C -1.470 174.001 175.328 0.239 0.000 0.991 180 H CA -0.301 55.846 56.048 0.165 0.000 1.243 180 H CB 1.302 31.081 29.762 0.028 0.000 1.446 180 H HN 0.809 nan 8.280 nan 0.000 0.502 181 W N 6.880 128.251 121.300 0.119 0.000 2.247 181 W HA 0.148 4.808 4.660 -0.000 0.000 0.394 181 W C 0.662 177.237 176.519 0.092 0.000 0.939 181 W CA -0.945 56.466 57.345 0.111 0.000 1.548 181 W CB -0.284 29.230 29.460 0.090 0.000 1.610 181 W HN 0.492 nan 8.180 nan 0.000 0.336 182 V N 1.221 121.339 119.914 0.340 0.000 2.788 182 V HA 0.047 4.167 4.120 -0.000 0.000 0.251 182 V C 0.202 176.447 176.094 0.251 0.000 1.068 182 V CA 1.549 63.967 62.300 0.196 0.000 1.090 182 V CB -0.415 31.519 31.823 0.186 0.000 0.710 182 V HN 0.402 nan 8.190 nan 0.000 0.467 183 D N -3.050 117.504 120.400 0.256 0.000 2.639 183 D HA 0.191 4.830 4.640 -0.000 0.000 0.271 183 D C 0.837 177.253 176.300 0.193 0.000 1.254 183 D CA -0.681 53.414 54.000 0.159 0.000 0.810 183 D CB 1.135 42.040 40.800 0.175 0.000 1.351 183 D HN -0.242 nan 8.370 nan 0.000 0.427 184 K N -0.502 119.958 120.400 0.099 0.000 2.137 184 K HA -0.222 4.098 4.320 -0.000 0.000 0.216 184 K C 1.264 178.085 176.600 0.368 0.000 1.052 184 K CA 2.804 59.183 56.287 0.153 0.000 0.939 184 K CB -0.831 31.713 32.500 0.073 0.000 0.724 184 K HN 0.763 nan 8.250 nan 0.000 0.465 185 T N -3.336 111.398 114.554 0.299 0.000 3.091 185 T HA 0.201 4.551 4.350 -0.000 0.000 0.277 185 T C 0.153 175.001 174.700 0.247 0.000 0.996 185 T CA -0.540 61.718 62.100 0.263 0.000 0.897 185 T CB 0.470 69.434 68.868 0.161 0.000 1.109 185 T HN -0.070 nan 8.240 nan 0.000 0.534 186 T N 3.438 118.181 114.554 0.316 0.000 2.797 186 T HA 0.643 4.992 4.350 -0.000 0.000 0.279 186 T C -1.219 173.678 174.700 0.328 0.000 0.991 186 T CA -0.715 61.548 62.100 0.272 0.000 0.979 186 T CB 1.771 70.778 68.868 0.233 0.000 0.943 186 T HN 0.179 nan 8.240 nan 0.000 0.444 187 L N 4.987 126.371 121.223 0.268 0.000 2.372 187 L HA 0.559 4.899 4.340 -0.000 0.000 0.274 187 L C -1.418 175.695 176.870 0.406 0.000 0.988 187 L CA -0.812 54.202 54.840 0.290 0.000 0.833 187 L CB 1.091 43.247 42.059 0.162 0.000 1.236 187 L HN 0.662 nan 8.230 nan 0.000 0.410 188 L N 5.522 126.991 121.223 0.411 0.000 2.265 188 L HA 0.438 4.777 4.340 -0.000 0.000 0.289 188 L C -1.369 175.921 176.870 0.699 0.000 1.033 188 L CA -0.407 54.709 54.840 0.460 0.000 0.814 188 L CB 1.530 43.776 42.059 0.311 0.000 1.203 188 L HN 0.646 nan 8.230 nan 0.000 0.423 189 W N 7.499 129.074 121.300 0.458 0.000 3.423 189 W HA 0.407 5.067 4.660 -0.000 0.000 0.330 189 W C -2.646 174.032 176.519 0.265 0.000 1.102 189 W CA -1.697 55.860 57.345 0.355 0.000 1.261 189 W CB 1.678 31.302 29.460 0.272 0.000 1.283 189 W HN 0.138 nan 8.180 nan 0.000 0.447 190 P HA -0.066 nan 4.420 nan 0.000 0.216 190 P C 1.710 178.638 177.300 -0.620 0.000 1.150 190 P CA 2.693 65.578 63.100 -0.359 0.000 0.837 190 P CB 0.168 31.645 31.700 -0.372 0.000 0.786 191 G N -0.534 107.460 108.800 -1.345 0.000 2.498 191 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.219 191 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.219 191 G C 1.493 175.501 174.900 -1.487 0.000 1.119 191 G CA 0.779 44.978 45.100 -1.501 0.000 0.766 191 G HN 0.403 nan 8.290 nan 0.000 0.552 192 G N -0.472 107.500 108.800 -1.381 0.000 3.042 192 G HA2 0.180 4.140 3.960 -0.000 0.000 0.212 192 G HA3 0.180 4.140 3.960 -0.000 0.000 0.212 192 G C 0.433 175.303 174.900 -0.051 0.000 1.166 192 G CA -0.269 44.395 45.100 -0.728 0.000 0.767 192 G HN 0.478 nan 8.290 nan 0.000 0.546 193 E N 0.969 121.166 120.200 -0.005 0.000 2.376 193 E HA 0.032 4.381 4.350 -0.000 0.000 0.266 193 E C 0.498 177.094 176.600 -0.007 0.000 1.009 193 E CA -0.242 56.194 56.400 0.061 0.000 0.902 193 E CB 0.182 29.858 29.700 -0.041 0.000 0.972 193 E HN 0.194 nan 8.360 nan 0.000 0.439 194 N N 1.544 120.264 118.700 0.033 0.000 2.857 194 N HA -0.193 4.547 4.740 -0.000 0.000 0.242 194 N C -0.882 174.626 175.510 -0.004 0.000 0.983 194 N CA 1.153 54.208 53.050 0.008 0.000 0.934 194 N CB -0.791 37.686 38.487 -0.017 0.000 1.115 194 N HN 0.350 nan 8.380 nan 0.000 0.593 195 K N 1.086 121.474 120.400 -0.020 0.000 2.276 195 K HA 0.288 4.608 4.320 -0.000 0.000 0.283 195 K C -1.296 175.294 176.600 -0.017 0.000 1.044 195 K CA -1.688 54.572 56.287 -0.045 0.000 0.944 195 K CB 0.697 33.131 32.500 -0.110 0.000 1.012 195 K HN -0.100 nan 8.250 nan 0.000 0.472 196 P HA -0.051 nan 4.420 nan 0.000 0.216 196 P C -0.258 177.039 177.300 -0.004 0.000 1.153 196 P CA 0.962 64.062 63.100 0.001 0.000 0.848 196 P CB 0.343 32.042 31.700 -0.001 0.000 0.787 197 I N 0.025 120.581 120.570 -0.023 0.000 2.328 197 I HA 0.180 4.350 4.170 -0.000 0.000 0.287 197 I C -0.459 175.630 176.117 -0.046 0.000 1.012 197 I CA -0.729 60.554 61.300 -0.028 0.000 1.195 197 I CB 1.195 39.173 38.000 -0.035 0.000 1.350 197 I HN -0.305 nan 8.210 nan 0.000 0.464 198 V N 7.928 127.809 119.914 -0.054 0.000 2.409 198 V HA 0.536 4.656 4.120 -0.000 0.000 0.290 198 V C 0.059 176.131 176.094 -0.036 0.000 1.017 198 V CA -0.678 61.564 62.300 -0.097 0.000 0.841 198 V CB 1.850 33.464 31.823 -0.348 0.000 1.003 198 V HN 0.689 nan 8.190 nan 0.000 0.426 199 R N 3.519 124.035 120.500 0.026 0.000 2.867 199 R HA 0.725 5.065 4.340 -0.000 0.000 0.268 199 R C -1.564 174.781 176.300 0.074 0.000 1.014 199 R CA -1.065 55.075 56.100 0.066 0.000 0.946 199 R CB 2.463 32.803 30.300 0.067 0.000 1.208 199 R HN 0.482 nan 8.270 nan 0.000 0.477 200 L N 2.315 123.570 121.223 0.053 0.000 2.356 200 L HA 0.401 4.741 4.340 -0.000 0.000 0.264 200 L C -1.494 175.459 176.870 0.139 0.000 1.029 200 L CA -0.435 54.414 54.840 0.015 0.000 0.897 200 L CB 0.275 42.239 42.059 -0.158 0.000 1.256 200 L HN 0.430 nan 8.230 nan 0.000 0.444 201 Y N 4.072 124.364 120.300 -0.014 0.000 2.326 201 Y HA 0.461 5.010 4.550 -0.000 0.000 0.333 201 Y C -0.195 175.735 175.900 0.049 0.000 1.240 201 Y CA 0.149 58.244 58.100 -0.009 0.000 1.365 201 Y CB 0.781 39.215 38.460 -0.042 0.000 1.289 201 Y HN 0.566 nan 8.280 nan 0.000 0.548 202 Y N -1.616 118.766 120.300 0.138 0.000 2.544 202 Y HA 0.675 5.225 4.550 -0.000 0.000 0.342 202 Y C -1.000 174.936 175.900 0.062 0.000 1.062 202 Y CA -1.448 56.687 58.100 0.059 0.000 1.023 202 Y CB 1.646 40.124 38.460 0.031 0.000 1.308 202 Y HN 0.410 nan 8.280 nan 0.000 0.457 203 S N 1.037 116.848 115.700 0.184 0.000 2.614 203 S HA 0.243 4.713 4.470 -0.000 0.000 0.288 203 S C -0.156 174.508 174.600 0.108 0.000 1.137 203 S CA -0.439 57.836 58.200 0.125 0.000 0.992 203 S CB 0.543 63.772 63.200 0.048 0.000 1.026 203 S HN 0.994 nan 8.310 nan 0.000 0.486 204 H N 3.900 123.017 119.070 0.078 0.000 2.299 204 H HA 0.119 4.675 4.556 -0.000 0.000 0.302 204 H C 1.303 176.639 175.328 0.013 0.000 1.078 204 H CA 2.612 58.686 56.048 0.042 0.000 1.323 204 H CB 0.292 30.091 29.762 0.062 0.000 1.381 204 H HN 0.491 nan 8.280 nan 0.000 0.498 205 S N -0.805 114.921 115.700 0.043 0.000 2.629 205 S HA 0.307 4.777 4.470 -0.000 0.000 0.236 205 S C -0.241 174.367 174.600 0.013 0.000 1.010 205 S CA -0.321 57.871 58.200 -0.013 0.000 0.981 205 S CB 0.960 64.212 63.200 0.086 0.000 0.919 205 S HN 0.193 nan 8.310 nan 0.000 0.514 206 S N 1.386 117.096 115.700 0.018 0.000 2.634 206 S HA 0.452 4.922 4.470 -0.000 0.000 0.296 206 S C -0.667 173.942 174.600 0.014 0.000 1.104 206 S CA -0.848 57.365 58.200 0.022 0.000 0.920 206 S CB 1.862 65.079 63.200 0.028 0.000 1.111 206 S HN 0.231 nan 8.310 nan 0.000 0.493 207 K N 2.433 122.851 120.400 0.030 0.000 2.262 207 K HA 0.368 4.688 4.320 -0.000 0.000 0.282 207 K C -0.102 176.516 176.600 0.030 0.000 1.066 207 K CA -0.563 55.748 56.287 0.040 0.000 0.901 207 K CB 0.395 32.927 32.500 0.055 0.000 1.089 207 K HN 0.576 nan 8.250 nan 0.000 0.476 208 V N 1.761 121.698 119.914 0.039 0.000 2.599 208 V HA 0.514 4.634 4.120 -0.000 0.000 0.300 208 V C -0.158 175.968 176.094 0.053 0.000 1.034 208 V CA 0.097 62.433 62.300 0.061 0.000 1.115 208 V CB 0.295 32.177 31.823 0.098 0.000 0.934 208 V HN 0.883 nan 8.190 nan 0.000 0.485 209 A N 3.757 126.562 122.820 -0.025 0.000 2.590 209 A HA 0.833 5.153 4.320 -0.000 0.000 0.296 209 A C -0.165 177.108 177.584 -0.518 0.000 1.050 209 A CA -0.473 51.463 52.037 -0.169 0.000 0.697 209 A CB 0.708 19.650 19.000 -0.097 0.000 1.277 209 A HN 2.465 nan 8.150 nan 0.000 0.411 210 A N 1.580 123.804 122.820 -0.993 0.000 2.540 210 A HA 0.475 4.795 4.320 -0.000 0.000 0.239 210 A C 0.435 177.749 177.584 -0.450 0.000 1.061 210 A CA 0.698 52.092 52.037 -1.071 0.000 0.758 210 A CB -0.536 17.874 19.000 -0.983 0.000 0.991 210 A HN 1.217 nan 8.150 nan 0.000 0.502 211 D N 1.229 121.438 120.400 -0.320 0.000 2.380 211 D HA 0.197 4.837 4.640 -0.000 0.000 0.254 211 D C 1.379 177.597 176.300 -0.136 0.000 1.288 211 D CA 0.212 54.109 54.000 -0.171 0.000 1.008 211 D CB -0.008 40.725 40.800 -0.111 0.000 1.099 211 D HN 0.445 nan 8.370 nan 0.000 0.537 212 S N -1.118 114.529 115.700 -0.088 0.000 2.442 212 S HA -0.226 4.244 4.470 -0.000 0.000 0.236 212 S C 1.073 175.634 174.600 -0.064 0.000 1.007 212 S CA 0.989 59.148 58.200 -0.067 0.000 0.965 212 S CB -0.941 62.231 63.200 -0.047 0.000 0.773 212 S HN 0.560 nan 8.310 nan 0.000 0.504 213 N N 1.055 119.716 118.700 -0.066 0.000 2.398 213 N HA 0.266 5.006 4.740 -0.000 0.000 0.188 213 N C 0.955 176.427 175.510 -0.063 0.000 1.122 213 N CA 0.195 53.213 53.050 -0.053 0.000 0.866 213 N CB 0.057 38.522 38.487 -0.038 0.000 0.970 213 N HN 0.631 nan 8.380 nan 0.000 0.462 214 G N 1.303 110.044 108.800 -0.098 0.000 2.137 214 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.237 214 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.237 214 G C -0.338 174.501 174.900 -0.103 0.000 1.002 214 G CA -0.003 45.031 45.100 -0.110 0.000 0.702 214 G HN 0.390 nan 8.290 nan 0.000 0.515 215 E N -1.179 118.948 120.200 -0.123 0.000 2.263 215 E HA 0.648 4.998 4.350 -0.000 0.000 0.264 215 E C -0.949 175.563 176.600 -0.147 0.000 0.923 215 E CA -1.097 55.285 56.400 -0.029 0.000 0.802 215 E CB 1.107 30.820 29.700 0.023 0.000 1.228 215 E HN 0.060 nan 8.360 nan 0.000 0.417 216 F N 1.610 121.534 119.950 -0.043 0.000 2.309 216 F HA 0.116 4.643 4.527 -0.000 0.000 0.366 216 F C 0.963 176.819 175.800 0.093 0.000 1.104 216 F CA -0.553 57.421 58.000 -0.043 0.000 1.179 216 F CB 0.815 39.663 39.000 -0.253 0.000 1.437 216 F HN 0.294 nan 8.300 nan 0.000 0.528 217 S N -0.716 115.079 115.700 0.159 0.000 2.618 217 S HA 0.212 4.681 4.470 -0.000 0.000 0.242 217 S C -0.178 174.511 174.600 0.149 0.000 0.972 217 S CA -0.689 57.601 58.200 0.150 0.000 1.004 217 S CB -0.775 62.465 63.200 0.066 0.000 0.778 217 S HN 0.391 nan 8.310 nan 0.000 0.459 218 D N 1.947 122.487 120.400 0.232 0.000 2.340 218 D HA 0.369 5.009 4.640 -0.000 0.000 0.251 218 D C -0.105 176.215 176.300 0.034 0.000 1.080 218 D CA -0.578 53.501 54.000 0.132 0.000 0.971 218 D CB 0.663 41.561 40.800 0.165 0.000 1.137 218 D HN 0.156 nan 8.370 nan 0.000 0.475 219 K N 0.544 120.806 120.400 -0.231 0.000 2.380 219 K HA 0.294 4.613 4.320 -0.000 0.000 0.267 219 K C -0.722 175.413 176.600 -0.776 0.000 0.990 219 K CA 0.152 56.125 56.287 -0.523 0.000 0.946 219 K CB 0.273 32.341 32.500 -0.720 0.000 0.937 219 K HN 0.489 nan 8.250 nan 0.000 0.491 220 Y N -3.024 116.828 120.300 -0.747 0.000 2.670 220 Y HA 0.609 5.159 4.550 -0.000 0.000 0.334 220 Y C -1.439 174.324 175.900 -0.228 0.000 1.185 220 Y CA -1.472 56.228 58.100 -0.667 0.000 1.053 220 Y CB 0.872 38.551 38.460 -1.302 0.000 1.298 220 Y HN 0.164 nan 8.280 nan 0.000 0.459 221 V N 1.925 121.844 119.914 0.007 0.000 2.680 221 V HA 0.430 4.550 4.120 -0.000 0.000 0.309 221 V C -0.648 175.492 176.094 0.078 0.000 1.052 221 V CA -1.374 60.924 62.300 -0.004 0.000 0.908 221 V CB 1.927 33.760 31.823 0.017 0.000 1.001 221 V HN 0.712 nan 8.190 nan 0.000 0.431 222 K N 4.338 124.772 120.400 0.056 0.000 2.297 222 K HA 0.579 4.898 4.320 -0.000 0.000 0.286 222 K C -1.080 175.554 176.600 0.056 0.000 1.053 222 K CA -0.201 56.140 56.287 0.091 0.000 0.940 222 K CB 0.859 33.410 32.500 0.084 0.000 1.019 222 K HN 0.452 nan 8.250 nan 0.000 0.475 223 L N 2.716 123.970 121.223 0.052 0.000 2.307 223 L HA 0.376 4.716 4.340 -0.000 0.000 0.284 223 L C 0.268 177.211 176.870 0.122 0.000 1.023 223 L CA -0.792 54.092 54.840 0.072 0.000 0.810 223 L CB 1.717 43.788 42.059 0.020 0.000 1.231 223 L HN 0.707 nan 8.230 nan 0.000 0.423 224 T N 0.254 114.917 114.554 0.181 0.000 2.829 224 T HA 0.548 4.898 4.350 -0.000 0.000 0.280 224 T C -2.667 172.207 174.700 0.289 0.000 0.999 224 T CA -2.450 59.767 62.100 0.196 0.000 0.983 224 T CB 1.731 70.673 68.868 0.123 0.000 0.968 224 T HN 0.170 nan 8.240 nan 0.000 0.446 225 P HA 0.301 nan 4.420 nan 0.000 0.266 225 P C -0.142 177.191 177.300 0.054 0.000 1.193 225 P CA 0.254 63.468 63.100 0.190 0.000 0.770 225 P CB 0.542 32.329 31.700 0.145 0.000 0.836 226 T N 0.009 114.526 114.554 -0.062 0.000 2.711 226 T HA 0.589 4.939 4.350 -0.000 0.000 0.302 226 T C -1.467 173.189 174.700 -0.074 0.000 1.373 226 T CA -0.526 61.556 62.100 -0.031 0.000 1.000 226 T CB 0.745 69.624 68.868 0.017 0.000 1.483 226 T HN 0.380 nan 8.240 nan 0.000 0.499 227 T N 0.013 114.549 114.554 -0.031 0.000 2.779 227 T HA 0.630 4.980 4.350 -0.000 0.000 0.280 227 T C 0.237 174.934 174.700 -0.004 0.000 0.987 227 T CA -0.656 61.427 62.100 -0.028 0.000 0.966 227 T CB 1.163 70.024 68.868 -0.012 0.000 0.933 227 T HN 0.710 nan 8.240 nan 0.000 0.442 228 V N 5.039 124.952 119.914 -0.002 0.000 2.720 228 V HA 0.121 4.240 4.120 -0.000 0.000 0.307 228 V C 0.575 176.689 176.094 0.034 0.000 1.071 228 V CA -0.177 62.140 62.300 0.028 0.000 1.199 228 V CB -0.461 31.382 31.823 0.033 0.000 0.900 228 V HN 1.090 nan 8.190 nan 0.000 0.494 229 N N 4.800 123.529 118.700 0.048 0.000 2.408 229 N HA 0.081 4.821 4.740 -0.000 0.000 0.260 229 N C 0.676 176.209 175.510 0.039 0.000 1.242 229 N CA -0.146 52.930 53.050 0.043 0.000 0.959 229 N CB 1.011 39.528 38.487 0.050 0.000 1.201 229 N HN 0.808 nan 8.380 nan 0.000 0.511 230 Q N -0.110 119.708 119.800 0.030 0.000 2.096 230 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 230 Q C 1.226 177.238 176.000 0.020 0.000 0.982 230 Q CA 1.828 57.645 55.803 0.023 0.000 0.850 230 Q CB 0.055 28.803 28.738 0.018 0.000 0.901 230 Q HN 0.633 nan 8.270 nan 0.000 0.422 231 Q N -0.279 119.535 119.800 0.024 0.000 2.061 231 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 231 Q C 2.121 178.128 176.000 0.012 0.000 0.984 231 Q CA 1.866 57.678 55.803 0.015 0.000 0.846 231 Q CB -0.361 28.393 28.738 0.027 0.000 0.902 231 Q HN 0.216 nan 8.270 nan 0.000 0.421 232 V N -0.008 119.940 119.914 0.056 0.000 2.427 232 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 232 V C 2.259 178.405 176.094 0.085 0.000 1.051 232 V CA 1.756 64.122 62.300 0.110 0.000 1.048 232 V CB -0.640 31.285 31.823 0.170 0.000 0.666 232 V HN 0.400 nan 8.190 nan 0.000 0.456 233 S N -0.684 115.049 115.700 0.054 0.000 2.382 233 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 233 S C 2.008 176.619 174.600 0.018 0.000 1.027 233 S CA 1.411 59.635 58.200 0.041 0.000 0.991 233 S CB -0.175 63.044 63.200 0.031 0.000 0.823 233 S HN 0.389 nan 8.310 nan 0.000 0.469 234 M N 0.872 120.466 119.600 -0.010 0.000 2.200 234 M HA 0.096 4.576 4.480 -0.000 0.000 0.265 234 M C 2.158 178.405 176.300 -0.088 0.000 1.066 234 M CA 1.183 56.467 55.300 -0.027 0.000 1.127 234 M CB -1.210 31.375 32.600 -0.025 0.000 1.379 234 M HN 0.323 nan 8.290 nan 0.000 0.420 235 R N -0.691 119.684 120.500 -0.209 0.000 2.075 235 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 235 R C 0.122 176.019 176.300 -0.671 0.000 1.126 235 R CA 0.969 56.746 56.100 -0.537 0.000 0.963 235 R CB -0.014 29.777 30.300 -0.848 0.000 0.858 235 R HN 0.235 nan 8.270 nan 0.000 0.435 236 F N -0.288 119.717 119.950 0.092 0.000 2.531 236 F HA 0.334 4.861 4.527 -0.000 0.000 0.333 236 F C -1.929 173.879 175.800 0.013 0.000 1.292 236 F CA -2.330 55.726 58.000 0.094 0.000 1.184 236 F CB 1.681 40.631 39.000 -0.084 0.000 1.426 236 F HN -0.199 nan 8.300 nan 0.000 0.559 237 P HA -0.206 nan 4.420 nan 0.000 0.217 237 P C 1.186 178.544 177.300 0.098 0.000 1.148 237 P CA 1.748 64.918 63.100 0.117 0.000 0.828 237 P CB -0.208 31.552 31.700 0.100 0.000 0.783 238 H N -2.139 116.923 119.070 -0.014 0.000 2.559 238 H HA 0.123 4.678 4.556 -0.000 0.000 0.273 238 H C 1.259 176.481 175.328 -0.178 0.000 1.000 238 H CA 0.430 56.437 56.048 -0.068 0.000 1.195 238 H CB -0.856 28.862 29.762 -0.074 0.000 1.368 238 H HN 0.143 nan 8.280 nan 0.000 0.592 239 L N -0.001 120.863 121.223 -0.599 0.000 2.858 239 L HA 0.433 4.773 4.340 -0.000 0.000 0.251 239 L C 2.209 178.875 176.870 -0.340 0.000 1.149 239 L CA 0.267 54.605 54.840 -0.837 0.000 0.955 239 L CB 0.266 41.702 42.059 -1.038 0.000 1.289 239 L HN 0.388 nan 8.230 nan 0.000 0.542 240 A N 0.753 123.497 122.820 -0.128 0.000 2.076 240 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 240 A C 2.390 179.996 177.584 0.037 0.000 1.160 240 A CA 2.022 54.050 52.037 -0.015 0.000 0.653 240 A CB -0.347 18.659 19.000 0.011 0.000 0.801 240 A HN 0.496 nan 8.150 nan 0.000 0.455 241 S N -2.079 113.672 115.700 0.085 0.000 2.558 241 S HA 0.138 4.608 4.470 -0.000 0.000 0.217 241 S C 0.494 175.226 174.600 0.221 0.000 0.975 241 S CA -0.534 57.747 58.200 0.135 0.000 0.912 241 S CB -0.534 62.747 63.200 0.135 0.000 0.776 241 S HN 0.510 nan 8.310 nan 0.000 0.526 242 Y N 2.751 123.036 120.300 -0.025 0.000 2.497 242 Y HA 0.267 4.817 4.550 -0.000 0.000 0.334 242 Y C -2.170 173.703 175.900 -0.045 0.000 1.199 242 Y CA -2.539 55.557 58.100 -0.008 0.000 1.425 242 Y CB 0.098 38.574 38.460 0.028 0.000 1.291 242 Y HN 0.139 nan 8.280 nan 0.000 0.562 243 P HA 0.032 nan 4.420 nan 0.000 0.267 243 P C -1.147 175.949 177.300 -0.341 0.000 1.205 243 P CA 0.146 63.135 63.100 -0.185 0.000 0.765 243 P CB 0.621 32.222 31.700 -0.164 0.000 0.828 244 A N 3.632 126.167 122.820 -0.475 0.000 2.303 244 A HA 0.766 5.086 4.320 -0.000 0.000 0.317 244 A C -0.945 176.187 177.584 -0.754 0.000 1.149 244 A CA -0.259 51.547 52.037 -0.386 0.000 0.822 244 A CB 0.239 19.163 19.000 -0.128 0.000 1.131 244 A HN 0.389 nan 8.150 nan 0.000 0.493 245 F N 0.434 120.459 119.950 0.125 0.000 2.578 245 F HA 0.528 5.055 4.527 -0.000 0.000 0.311 245 F C 0.180 176.033 175.800 0.088 0.000 1.094 245 F CA -0.589 57.472 58.000 0.103 0.000 0.923 245 F CB 2.396 41.471 39.000 0.124 0.000 1.230 245 F HN 0.575 nan 8.300 nan 0.000 0.450 246 K N 2.536 123.081 120.400 0.242 0.000 2.164 246 K HA 0.753 5.072 4.320 -0.000 0.000 0.258 246 K C -1.522 175.154 176.600 0.127 0.000 0.951 246 K CA -0.616 55.767 56.287 0.160 0.000 0.844 246 K CB 1.205 33.776 32.500 0.119 0.000 1.099 246 K HN 0.547 nan 8.250 nan 0.000 0.435 247 L N 4.737 126.018 121.223 0.096 0.000 2.375 247 L HA 0.492 4.832 4.340 -0.000 0.000 0.268 247 L C -2.055 174.855 176.870 0.066 0.000 1.058 247 L CA -2.078 52.794 54.840 0.053 0.000 0.803 247 L CB 0.793 42.860 42.059 0.012 0.000 1.212 247 L HN 0.655 nan 8.230 nan 0.000 0.451 248 P HA 0.048 nan 4.420 nan 0.000 0.269 248 P C -0.577 176.755 177.300 0.054 0.000 1.215 248 P CA -0.149 62.978 63.100 0.045 0.000 0.780 248 P CB 0.773 32.489 31.700 0.026 0.000 0.898 249 D N 0.092 120.521 120.400 0.049 0.000 2.310 249 D HA -0.136 4.504 4.640 -0.000 0.000 0.212 249 D C 1.167 177.491 176.300 0.040 0.000 0.965 249 D CA 1.190 55.219 54.000 0.049 0.000 0.879 249 D CB -0.263 40.561 40.800 0.040 0.000 0.921 249 D HN 0.527 nan 8.370 nan 0.000 0.510 250 D N 0.299 120.717 120.400 0.031 0.000 2.340 250 D HA -0.044 4.596 4.640 -0.000 0.000 0.217 250 D C 0.647 176.959 176.300 0.020 0.000 1.081 250 D CA -0.204 53.808 54.000 0.020 0.000 0.842 250 D CB -0.202 40.605 40.800 0.011 0.000 0.934 250 D HN 0.033 nan 8.370 nan 0.000 0.511 251 V N 1.633 121.568 119.914 0.035 0.000 2.673 251 V HA -0.042 4.078 4.120 -0.000 0.000 0.303 251 V C 0.303 176.421 176.094 0.039 0.000 1.046 251 V CA -0.124 62.197 62.300 0.035 0.000 1.126 251 V CB 0.181 32.045 31.823 0.069 0.000 0.934 251 V HN 0.209 nan 8.190 nan 0.000 0.487 252 N N 5.128 123.829 118.700 0.001 0.000 2.968 252 N HA 0.120 4.860 4.740 -0.000 0.000 0.271 252 N C 0.973 176.498 175.510 0.024 0.000 1.174 252 N CA -0.373 52.674 53.050 -0.006 0.000 1.096 252 N CB 0.674 39.136 38.487 -0.041 0.000 1.403 252 N HN 0.652 nan 8.380 nan 0.000 0.522 253 V N 2.294 122.258 119.914 0.082 0.000 2.250 253 V HA -0.310 3.810 4.120 -0.000 0.000 0.250 253 V C 1.930 178.048 176.094 0.041 0.000 1.060 253 V CA 2.144 64.517 62.300 0.121 0.000 1.030 253 V CB -0.627 31.191 31.823 -0.008 0.000 0.643 253 V HN 0.670 nan 8.190 nan 0.000 0.445 254 D N -0.316 120.098 120.400 0.023 0.000 2.106 254 D HA -0.249 4.391 4.640 -0.000 0.000 0.191 254 D C 2.132 178.474 176.300 0.071 0.000 0.997 254 D CA 1.748 55.799 54.000 0.084 0.000 0.834 254 D CB -0.121 40.734 40.800 0.092 0.000 0.956 254 D HN 0.460 nan 8.370 nan 0.000 0.448 255 E N -0.642 119.575 120.200 0.028 0.000 2.077 255 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 255 E C 1.972 178.574 176.600 0.002 0.000 0.989 255 E CA 0.703 57.113 56.400 0.015 0.000 0.800 255 E CB -0.371 29.304 29.700 -0.040 0.000 0.746 255 E HN 0.279 nan 8.360 nan 0.000 0.452 256 L N -0.015 121.177 121.223 -0.051 0.000 2.083 256 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 256 L C 2.101 179.037 176.870 0.110 0.000 1.083 256 L CA 1.226 56.040 54.840 -0.044 0.000 0.752 256 L CB -0.421 41.661 42.059 0.039 0.000 0.899 256 L HN 0.226 nan 8.230 nan 0.000 0.433 257 L N -0.918 120.371 121.223 0.110 0.000 2.551 257 L HA -0.109 4.231 4.340 -0.000 0.000 0.228 257 L C 2.079 178.978 176.870 0.048 0.000 1.153 257 L CA 0.215 55.098 54.840 0.073 0.000 0.851 257 L CB -0.400 41.668 42.059 0.014 0.000 0.959 257 L HN 0.346 nan 8.230 nan 0.000 0.451 258 Q N -0.134 119.704 119.800 0.063 0.000 2.432 258 Q HA 0.112 4.452 4.340 -0.000 0.000 0.205 258 Q C 1.058 177.028 176.000 -0.051 0.000 0.945 258 Q CA 0.751 56.590 55.803 0.060 0.000 0.924 258 Q CB 0.635 29.485 28.738 0.186 0.000 1.016 258 Q HN 0.521 nan 8.270 nan 0.000 0.503 259 G N -0.059 108.688 108.800 -0.088 0.000 3.195 259 G HA2 0.295 4.255 3.960 -0.000 0.000 0.217 259 G HA3 0.295 4.255 3.960 -0.000 0.000 0.217 259 G C -1.375 173.173 174.900 -0.586 0.000 1.166 259 G CA -0.535 44.392 45.100 -0.289 0.000 0.812 259 G HN 0.056 nan 8.290 nan 0.000 0.617 260 E N 0.043 119.784 120.200 -0.764 0.000 2.249 260 E HA 0.529 4.879 4.350 -0.000 0.000 0.280 260 E C -0.598 175.867 176.600 -0.225 0.000 1.016 260 E CA -0.449 55.436 56.400 -0.859 0.000 0.830 260 E CB 1.060 30.280 29.700 -0.800 0.000 1.081 260 E HN 0.528 nan 8.360 nan 0.000 0.395 261 T N 0.169 114.664 114.554 -0.098 0.000 2.876 261 T HA 0.610 4.959 4.350 -0.000 0.000 0.289 261 T C -0.724 173.979 174.700 0.006 0.000 1.014 261 T CA -0.811 61.315 62.100 0.043 0.000 0.986 261 T CB 1.530 70.466 68.868 0.115 0.000 1.021 261 T HN 0.176 nan 8.240 nan 0.000 0.458 262 V N 1.638 121.552 119.914 -0.001 0.000 2.686 262 V HA 0.746 4.866 4.120 -0.000 0.000 0.306 262 V C 0.113 176.102 176.094 -0.175 0.000 1.065 262 V CA -1.123 61.124 62.300 -0.090 0.000 0.894 262 V CB 1.801 33.585 31.823 -0.065 0.000 1.004 262 V HN 1.330 nan 8.190 nan 0.000 0.424 263 A N 6.396 128.973 122.820 -0.406 0.000 2.320 263 A HA 0.834 5.154 4.320 -0.000 0.000 0.287 263 A C -0.546 176.648 177.584 -0.650 0.000 1.181 263 A CA -0.117 51.538 52.037 -0.637 0.000 0.831 263 A CB 0.093 18.359 19.000 -1.223 0.000 1.102 263 A HN 0.746 nan 8.150 nan 0.000 0.513 264 I N 1.530 121.925 120.570 -0.291 0.000 2.608 264 I HA 0.624 4.794 4.170 -0.000 0.000 0.295 264 I C 0.213 176.392 176.117 0.102 0.000 1.049 264 I CA -0.464 60.735 61.300 -0.168 0.000 1.063 264 I CB 2.266 39.962 38.000 -0.506 0.000 1.248 264 I HN 0.707 nan 8.210 nan 0.000 0.424 265 A N 4.448 127.375 122.820 0.178 0.000 2.414 265 A HA 0.987 5.307 4.320 -0.000 0.000 0.306 265 A C -1.076 176.488 177.584 -0.034 0.000 1.054 265 A CA -0.447 51.629 52.037 0.066 0.000 0.724 265 A CB 1.840 20.821 19.000 -0.031 0.000 1.267 265 A HN 0.870 nan 8.150 nan 0.000 0.418 266 A N 1.235 124.022 122.820 -0.054 0.000 2.594 266 A HA 0.767 5.087 4.320 -0.000 0.000 0.291 266 A C -0.610 176.953 177.584 -0.036 0.000 1.105 266 A CA -0.649 51.358 52.037 -0.050 0.000 0.694 266 A CB 0.781 19.739 19.000 -0.070 0.000 1.291 266 A HN 0.710 nan 8.150 nan 0.000 0.410 267 E N 0.342 120.528 120.200 -0.023 0.000 2.421 267 E HA 0.175 4.525 4.350 -0.000 0.000 0.253 267 E C 1.623 178.214 176.600 -0.014 0.000 1.277 267 E CA 0.594 56.985 56.400 -0.016 0.000 0.968 267 E CB 0.372 30.068 29.700 -0.007 0.000 1.040 267 E HN 0.759 nan 8.360 nan 0.000 0.512 268 S N 0.460 116.155 115.700 -0.008 0.000 2.370 268 S HA -0.240 4.230 4.470 -0.000 0.000 0.226 268 S C 1.109 175.707 174.600 -0.004 0.000 1.033 268 S CA 1.823 60.021 58.200 -0.004 0.000 1.011 268 S CB -0.537 62.663 63.200 -0.000 0.000 0.852 268 S HN 0.558 nan 8.310 nan 0.000 0.457 269 D N 0.873 121.270 120.400 -0.005 0.000 2.392 269 D HA 0.250 4.890 4.640 -0.000 0.000 0.228 269 D C 1.442 177.738 176.300 -0.007 0.000 1.003 269 D CA 0.700 54.696 54.000 -0.005 0.000 0.917 269 D CB -0.958 39.838 40.800 -0.007 0.000 0.890 269 D HN 0.689 nan 8.370 nan 0.000 0.532 270 G N -0.151 108.642 108.800 -0.011 0.000 2.159 270 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.256 270 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.256 270 G C 0.138 175.027 174.900 -0.018 0.000 0.977 270 G CA 0.045 45.136 45.100 -0.016 0.000 0.652 270 G HN 0.447 nan 8.290 nan 0.000 0.531 271 I N 2.184 122.745 120.570 -0.015 0.000 2.396 271 I HA 0.221 4.391 4.170 -0.000 0.000 0.289 271 I C 1.182 177.298 176.117 -0.003 0.000 1.056 271 I CA -0.914 60.379 61.300 -0.012 0.000 1.365 271 I CB 1.045 39.035 38.000 -0.017 0.000 1.407 271 I HN 0.079 nan 8.210 nan 0.000 0.509 272 L N 7.226 128.448 121.223 -0.001 0.000 2.615 272 L HA -0.079 4.261 4.340 -0.000 0.000 0.284 272 L C 1.236 178.157 176.870 0.085 0.000 1.237 272 L CA 1.026 55.860 54.840 -0.010 0.000 0.905 272 L CB 0.943 42.993 42.059 -0.015 0.000 1.149 272 L HN 0.888 nan 8.230 nan 0.000 0.499 273 S N 2.016 117.737 115.700 0.035 0.000 2.527 273 S HA 0.167 4.637 4.470 -0.000 0.000 0.227 273 S C 0.431 175.052 174.600 0.035 0.000 1.059 273 S CA 0.275 58.502 58.200 0.046 0.000 0.919 273 S CB 0.223 63.417 63.200 -0.011 0.000 0.805 273 S HN 0.928 nan 8.310 nan 0.000 0.500 274 S N -0.251 115.477 115.700 0.047 0.000 2.608 274 S HA 0.706 5.176 4.470 -0.000 0.000 0.285 274 S C -1.349 173.344 174.600 0.154 0.000 1.108 274 S CA -0.440 57.820 58.200 0.101 0.000 0.858 274 S CB 0.885 64.167 63.200 0.137 0.000 1.077 274 S HN 1.322 nan 8.310 nan 0.000 0.450 275 A N 1.231 124.103 122.820 0.086 0.000 2.427 275 A HA 0.935 5.255 4.320 -0.000 0.000 0.298 275 A C -0.329 177.235 177.584 -0.034 0.000 1.036 275 A CA -0.456 51.549 52.037 -0.054 0.000 0.701 275 A CB 1.839 20.738 19.000 -0.169 0.000 1.250 275 A HN 1.416 nan 8.150 nan 0.000 0.412 276 T N 0.698 115.139 114.554 -0.188 0.000 2.864 276 T HA 0.489 4.839 4.350 -0.000 0.000 0.299 276 T C -0.595 174.001 174.700 -0.174 0.000 1.166 276 T CA -0.341 61.680 62.100 -0.131 0.000 1.007 276 T CB 1.352 70.165 68.868 -0.093 0.000 1.219 276 T HN 0.745 nan 8.240 nan 0.000 0.506 277 Q N 0.872 120.654 119.800 -0.030 0.000 2.396 277 Q HA 0.572 4.912 4.340 -0.000 0.000 0.221 277 Q C -0.795 175.219 176.000 0.022 0.000 1.025 277 Q CA -0.652 55.174 55.803 0.038 0.000 0.946 277 Q CB 1.180 30.023 28.738 0.175 0.000 1.224 277 Q HN 0.443 nan 8.270 nan 0.000 0.539 278 V N 1.548 121.522 119.914 0.099 0.000 2.495 278 V HA 0.207 4.326 4.120 -0.000 0.000 0.298 278 V C -0.641 175.629 176.094 0.292 0.000 1.031 278 V CA -0.816 61.551 62.300 0.112 0.000 0.871 278 V CB 1.653 33.541 31.823 0.108 0.000 0.988 278 V HN 0.688 nan 8.190 nan 0.000 0.432 279 Q N 1.890 121.797 119.800 0.178 0.000 2.322 279 Q HA 0.306 4.646 4.340 -0.000 0.000 0.256 279 Q C 0.635 176.787 176.000 0.254 0.000 0.960 279 Q CA -0.147 55.813 55.803 0.262 0.000 0.934 279 Q CB 1.399 30.118 28.738 -0.032 0.000 1.200 279 Q HN 0.957 nan 8.270 nan 0.000 0.435 280 T N -2.130 112.599 114.554 0.293 0.000 3.069 280 T HA 0.210 4.559 4.350 -0.000 0.000 0.252 280 T C 1.588 176.362 174.700 0.123 0.000 1.053 280 T CA 0.328 62.543 62.100 0.192 0.000 0.964 280 T CB 0.320 69.280 68.868 0.153 0.000 1.005 280 T HN 0.510 nan 8.240 nan 0.000 0.532 281 A N 2.027 124.936 122.820 0.149 0.000 1.927 281 A HA 0.104 4.424 4.320 -0.000 0.000 0.220 281 A C 2.528 180.142 177.584 0.049 0.000 1.185 281 A CA 1.946 54.038 52.037 0.091 0.000 0.639 281 A CB -1.613 17.276 19.000 -0.185 0.000 0.820 281 A HN 0.610 nan 8.150 nan 0.000 0.451 282 G N -1.075 107.735 108.800 0.017 0.000 2.433 282 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.216 282 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.216 282 G C 1.629 176.600 174.900 0.120 0.000 1.186 282 G CA 1.222 46.419 45.100 0.161 0.000 0.779 282 G HN 0.623 nan 8.290 nan 0.000 0.543 283 V N 0.696 120.579 119.914 -0.051 0.000 2.626 283 V HA -0.015 4.105 4.120 -0.000 0.000 0.252 283 V C 2.812 178.813 176.094 -0.154 0.000 1.067 283 V CA 1.392 63.542 62.300 -0.250 0.000 1.081 283 V CB -0.236 31.045 31.823 -0.903 0.000 0.686 283 V HN 0.409 nan 8.190 nan 0.000 0.468 284 L N -0.350 120.871 121.223 -0.004 0.000 2.046 284 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 284 L C 2.427 179.469 176.870 0.286 0.000 1.077 284 L CA 2.062 57.015 54.840 0.188 0.000 0.747 284 L CB -0.722 41.454 42.059 0.194 0.000 0.896 284 L HN 0.322 nan 8.230 nan 0.000 0.432 285 D N -0.248 120.312 120.400 0.266 0.000 2.117 285 D HA -0.204 4.436 4.640 -0.000 0.000 0.198 285 D C 1.765 178.140 176.300 0.125 0.000 0.982 285 D CA 1.291 55.433 54.000 0.237 0.000 0.828 285 D CB -0.124 40.821 40.800 0.242 0.000 0.967 285 D HN 0.252 nan 8.370 nan 0.000 0.464 286 D N -0.906 119.539 120.400 0.076 0.000 2.178 286 D HA -0.095 4.545 4.640 -0.000 0.000 0.201 286 D C 1.629 177.893 176.300 -0.061 0.000 0.980 286 D CA 1.326 55.337 54.000 0.019 0.000 0.842 286 D CB 0.157 40.971 40.800 0.024 0.000 0.948 286 D HN 0.072 nan 8.370 nan 0.000 0.472 287 T N -1.647 112.809 114.554 -0.162 0.000 2.939 287 T HA -0.006 4.343 4.350 -0.000 0.000 0.254 287 T C 0.913 175.358 174.700 -0.426 0.000 1.041 287 T CA 0.834 62.689 62.100 -0.410 0.000 1.142 287 T CB -0.126 68.269 68.868 -0.788 0.000 0.874 287 T HN 0.230 nan 8.240 nan 0.000 0.452 288 Y N 0.175 120.532 120.300 0.095 0.000 2.467 288 Y HA 0.596 5.146 4.550 -0.000 0.000 0.259 288 Y C 2.420 178.395 175.900 0.125 0.000 1.084 288 Y CA -0.421 57.777 58.100 0.165 0.000 1.275 288 Y CB -0.611 38.049 38.460 0.332 0.000 1.208 288 Y HN 0.116 nan 8.280 nan 0.000 0.511 289 A N 1.281 124.227 122.820 0.210 0.000 1.881 289 A HA -0.289 4.030 4.320 -0.000 0.000 0.219 289 A C 2.448 180.032 177.584 -0.000 0.000 1.215 289 A CA 2.820 54.871 52.037 0.024 0.000 0.648 289 A CB -1.296 17.729 19.000 0.042 0.000 0.832 289 A HN 0.418 nan 8.150 nan 0.000 0.455 290 A N -0.528 122.312 122.820 0.032 0.000 1.865 290 A HA 0.095 4.415 4.320 -0.000 0.000 0.217 290 A C 2.576 180.181 177.584 0.034 0.000 1.191 290 A CA 2.678 54.729 52.037 0.023 0.000 0.623 290 A CB -1.214 17.799 19.000 0.022 0.000 0.826 290 A HN 1.283 nan 8.150 nan 0.000 0.444 291 A N -0.379 122.480 122.820 0.065 0.000 1.902 291 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 291 A C 2.490 180.128 177.584 0.090 0.000 1.181 291 A CA 2.183 54.268 52.037 0.080 0.000 0.623 291 A CB -0.981 18.088 19.000 0.116 0.000 0.818 291 A HN 1.120 nan 8.150 nan 0.000 0.443 292 A N -0.448 122.429 122.820 0.095 0.000 1.969 292 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 292 A C 1.869 179.479 177.584 0.044 0.000 1.169 292 A CA 1.476 53.551 52.037 0.064 0.000 0.635 292 A CB -0.442 18.410 19.000 -0.246 0.000 0.810 292 A HN 0.629 nan 8.150 nan 0.000 0.445 293 E N -0.251 119.936 120.200 -0.021 0.000 2.150 293 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 293 E C 1.966 178.599 176.600 0.056 0.000 0.985 293 E CA 0.770 57.173 56.400 0.005 0.000 0.814 293 E CB -0.201 29.491 29.700 -0.014 0.000 0.752 293 E HN 0.617 nan 8.360 nan 0.000 0.466 294 A N 0.540 123.386 122.820 0.045 0.000 2.239 294 A HA 0.052 4.372 4.320 -0.000 0.000 0.209 294 A C 0.854 178.449 177.584 0.017 0.000 1.171 294 A CA 0.405 52.460 52.037 0.031 0.000 0.768 294 A CB -0.125 18.887 19.000 0.019 0.000 0.790 294 A HN 0.042 nan 8.150 nan 0.000 0.478 295 L N -1.272 119.967 121.223 0.028 0.000 2.304 295 L HA 0.504 4.844 4.340 -0.000 0.000 0.268 295 L C 0.005 176.800 176.870 -0.125 0.000 1.010 295 L CA -0.695 54.085 54.840 -0.100 0.000 0.813 295 L CB 1.879 43.798 42.059 -0.233 0.000 1.315 295 L HN -0.053 nan 8.230 nan 0.000 0.445 296 S N -0.877 114.649 115.700 -0.290 0.000 2.537 296 S HA 0.677 5.147 4.470 -0.000 0.000 0.301 296 S C -1.180 173.095 174.600 -0.542 0.000 1.092 296 S CA -0.437 57.647 58.200 -0.194 0.000 1.048 296 S CB 1.216 64.379 63.200 -0.062 0.000 1.053 296 S HN 0.256 nan 8.310 nan 0.000 0.501 297 Y N 0.428 120.554 120.300 -0.290 0.000 2.621 297 Y HA 0.753 5.303 4.550 -0.000 0.000 0.334 297 Y C 0.917 176.677 175.900 -0.233 0.000 1.074 297 Y CA 0.039 57.877 58.100 -0.437 0.000 1.149 297 Y CB 1.448 39.281 38.460 -1.046 0.000 1.302 297 Y HN 1.011 nan 8.280 nan 0.000 0.501 298 G N 0.082 108.949 108.800 0.111 0.000 2.610 298 G HA2 0.171 4.131 3.960 -0.000 0.000 0.304 298 G HA3 0.171 4.131 3.960 -0.000 0.000 0.304 298 G C -1.263 173.693 174.900 0.093 0.000 1.309 298 G CA -0.656 44.575 45.100 0.219 0.000 0.906 298 G HN 1.133 nan 8.290 nan 0.000 0.521 299 A N 0.039 122.841 122.820 -0.031 0.000 2.650 299 A HA 0.637 4.956 4.320 -0.000 0.000 0.320 299 A C 0.502 177.893 177.584 -0.323 0.000 1.466 299 A CA 0.165 51.896 52.037 -0.509 0.000 1.099 299 A CB -0.096 18.496 19.000 -0.681 0.000 1.136 299 A HN 0.607 nan 8.150 nan 0.000 0.532 300 Q N 1.492 121.126 119.800 -0.276 0.000 2.423 300 Q HA 0.368 4.708 4.340 -0.000 0.000 0.235 300 Q C -0.708 175.191 176.000 -0.168 0.000 1.100 300 Q CA -0.122 55.596 55.803 -0.140 0.000 0.908 300 Q CB 1.041 29.727 28.738 -0.086 0.000 1.312 300 Q HN 0.691 nan 8.270 nan 0.000 0.497 301 L N 2.914 124.056 121.223 -0.134 0.000 2.275 301 L HA 0.515 4.855 4.340 -0.000 0.000 0.288 301 L C -0.213 176.618 176.870 -0.065 0.000 1.046 301 L CA 0.210 54.982 54.840 -0.112 0.000 0.805 301 L CB 1.391 43.387 42.059 -0.105 0.000 1.193 301 L HN 0.598 nan 8.230 nan 0.000 0.426 302 T N -0.592 113.928 114.554 -0.058 0.000 2.907 302 T HA 0.305 4.655 4.350 -0.000 0.000 0.290 302 T C 0.480 175.159 174.700 -0.035 0.000 1.066 302 T CA -0.566 61.509 62.100 -0.041 0.000 1.012 302 T CB 1.281 70.126 68.868 -0.039 0.000 1.184 302 T HN 0.526 nan 8.240 nan 0.000 0.522 303 D N 0.265 120.649 120.400 -0.027 0.000 2.310 303 D HA -0.089 4.551 4.640 -0.000 0.000 0.212 303 D C 1.942 178.229 176.300 -0.021 0.000 0.965 303 D CA 1.467 55.454 54.000 -0.022 0.000 0.879 303 D CB -0.161 40.629 40.800 -0.017 0.000 0.921 303 D HN 0.608 nan 8.370 nan 0.000 0.510 304 S N -1.726 113.958 115.700 -0.026 0.000 2.548 304 S HA 0.462 4.932 4.470 -0.000 0.000 0.215 304 S C 0.999 175.579 174.600 -0.034 0.000 0.976 304 S CA 0.238 58.421 58.200 -0.028 0.000 0.908 304 S CB 0.936 64.118 63.200 -0.030 0.000 0.781 304 S HN 0.337 nan 8.310 nan 0.000 0.519 305 G N -0.240 108.538 108.800 -0.037 0.000 2.343 305 G HA2 0.381 4.340 3.960 -0.000 0.000 0.289 305 G HA3 0.381 4.340 3.960 -0.000 0.000 0.289 305 G C -1.950 172.918 174.900 -0.054 0.000 1.295 305 G CA -0.099 44.977 45.100 -0.040 0.000 0.869 305 G HN 0.811 nan 8.290 nan 0.000 0.522 306 V N -0.679 119.204 119.914 -0.052 0.000 2.888 306 V HA 0.873 4.993 4.120 -0.000 0.000 0.309 306 V C -0.836 175.216 176.094 -0.069 0.000 1.114 306 V CA -0.110 62.128 62.300 -0.104 0.000 0.940 306 V CB 2.289 34.023 31.823 -0.149 0.000 1.021 306 V HN 1.219 nan 8.190 nan 0.000 0.426 307 T N 7.002 121.478 114.554 -0.129 0.000 2.847 307 T HA 0.595 4.945 4.350 -0.000 0.000 0.291 307 T C -0.996 173.685 174.700 -0.033 0.000 0.998 307 T CA 0.017 62.109 62.100 -0.013 0.000 0.967 307 T CB 0.641 69.482 68.868 -0.044 0.000 0.954 307 T HN 0.400 nan 8.240 nan 0.000 0.441 308 F N 2.550 122.568 119.950 0.114 0.000 2.394 308 F HA 0.683 5.210 4.527 -0.000 0.000 0.340 308 F C 0.807 176.708 175.800 0.168 0.000 1.105 308 F CA -0.938 57.160 58.000 0.163 0.000 1.124 308 F CB 1.138 40.290 39.000 0.255 0.000 1.145 308 F HN 0.261 nan 8.300 nan 0.000 0.505 309 R N 2.001 122.686 120.500 0.307 0.000 2.548 309 R HA 0.758 5.098 4.340 -0.000 0.000 0.280 309 R C -2.385 174.067 176.300 0.253 0.000 1.061 309 R CA -0.667 55.533 56.100 0.166 0.000 0.915 309 R CB 2.203 32.418 30.300 -0.143 0.000 1.210 309 R HN 0.616 nan 8.270 nan 0.000 0.442 310 V N 4.947 125.009 119.914 0.246 0.000 2.760 310 V HA 0.524 4.644 4.120 -0.000 0.000 0.309 310 V C -1.661 174.690 176.094 0.428 0.000 1.077 310 V CA -0.744 61.697 62.300 0.236 0.000 0.910 310 V CB 1.794 33.360 31.823 -0.428 0.000 1.008 310 V HN 0.862 nan 8.190 nan 0.000 0.424 311 W N 6.722 128.154 121.300 0.219 0.000 2.358 311 W HA 0.702 5.362 4.660 -0.000 0.000 0.307 311 W C 0.093 176.677 176.519 0.108 0.000 1.203 311 W CA -0.183 57.254 57.345 0.153 0.000 1.279 311 W CB 1.210 30.618 29.460 -0.086 0.000 1.264 311 W HN 0.818 nan 8.180 nan 0.000 0.474 312 A N 9.335 132.011 122.820 -0.240 0.000 3.422 312 A HA 0.268 4.587 4.320 -0.000 0.000 0.271 312 A C -1.650 175.730 177.584 -0.340 0.000 1.104 312 A CA -0.729 51.123 52.037 -0.308 0.000 0.899 312 A CB 0.399 19.306 19.000 -0.154 0.000 1.309 312 A HN 0.471 nan 8.150 nan 0.000 0.580 313 P HA -0.166 nan 4.420 nan 0.000 0.221 313 P C 1.162 178.171 177.300 -0.486 0.000 1.145 313 P CA 2.123 64.676 63.100 -0.911 0.000 0.795 313 P CB -0.012 30.791 31.700 -1.496 0.000 0.775 314 T N -4.475 109.884 114.554 -0.326 0.000 3.022 314 T HA 0.442 4.792 4.350 -0.000 0.000 0.250 314 T C 1.025 175.703 174.700 -0.036 0.000 1.060 314 T CA -0.067 61.953 62.100 -0.134 0.000 1.013 314 T CB -0.421 68.382 68.868 -0.110 0.000 0.982 314 T HN 0.077 nan 8.240 nan 0.000 0.508 315 A N 1.548 124.351 122.820 -0.028 0.000 2.498 315 A HA 0.310 4.630 4.320 -0.000 0.000 0.239 315 A C 1.245 178.891 177.584 0.103 0.000 1.068 315 A CA -0.290 51.729 52.037 -0.029 0.000 0.766 315 A CB 0.230 19.110 19.000 -0.201 0.000 1.003 315 A HN 0.532 nan 8.150 nan 0.000 0.497 316 Q N 0.000 119.824 119.800 0.039 0.000 2.302 316 Q HA 0.014 4.354 4.340 -0.000 0.000 0.202 316 Q C -0.150 175.937 176.000 0.146 0.000 0.936 316 Q CA 0.908 56.793 55.803 0.136 0.000 0.886 316 Q CB 0.192 28.972 28.738 0.071 0.000 0.986 316 Q HN 0.857 nan 8.270 nan 0.000 0.487 317 Q N -0.326 119.413 119.800 -0.101 0.000 2.391 317 Q HA 0.562 4.901 4.340 -0.000 0.000 0.279 317 Q C -1.649 173.974 176.000 -0.629 0.000 1.028 317 Q CA -0.577 55.068 55.803 -0.263 0.000 0.836 317 Q CB 3.100 31.788 28.738 -0.083 0.000 1.414 317 Q HN -0.134 nan 8.270 nan 0.000 0.397 318 V N 1.298 120.686 119.914 -0.876 0.000 2.655 318 V HA 0.367 4.487 4.120 -0.000 0.000 0.301 318 V C -1.009 174.914 176.094 -0.286 0.000 1.082 318 V CA -0.685 61.189 62.300 -0.710 0.000 0.899 318 V CB 2.023 33.101 31.823 -1.242 0.000 1.014 318 V HN 0.699 nan 8.190 nan 0.000 0.429 319 E N 3.290 123.423 120.200 -0.112 0.000 2.238 319 E HA 0.523 4.873 4.350 -0.000 0.000 0.267 319 E C -1.305 175.303 176.600 0.014 0.000 0.887 319 E CA -1.123 55.254 56.400 -0.040 0.000 0.769 319 E CB 3.184 32.847 29.700 -0.061 0.000 1.187 319 E HN 0.478 nan 8.360 nan 0.000 0.416 320 L N 3.383 124.570 121.223 -0.060 0.000 2.261 320 L HA 0.215 4.555 4.340 -0.000 0.000 0.289 320 L C -1.143 175.588 176.870 -0.232 0.000 1.059 320 L CA -0.384 54.382 54.840 -0.123 0.000 0.816 320 L CB 0.904 42.733 42.059 -0.383 0.000 1.191 320 L HN 0.243 nan 8.230 nan 0.000 0.431 321 V N 6.756 126.598 119.914 -0.119 0.000 2.370 321 V HA 0.402 4.522 4.120 -0.000 0.000 0.279 321 V C 0.240 176.266 176.094 -0.113 0.000 1.029 321 V CA -0.621 61.575 62.300 -0.172 0.000 0.870 321 V CB 1.150 32.934 31.823 -0.065 0.000 0.984 321 V HN 0.505 nan 8.190 nan 0.000 0.451 322 I N 5.377 125.796 120.570 -0.252 0.000 2.336 322 I HA 0.453 4.622 4.170 -0.000 0.000 0.292 322 I C -0.412 175.599 176.117 -0.177 0.000 0.991 322 I CA -0.525 60.721 61.300 -0.090 0.000 1.227 322 I CB 0.990 38.929 38.000 -0.102 0.000 1.366 322 I HN 0.507 nan 8.210 nan 0.000 0.466 323 Y N 3.097 123.450 120.300 0.088 0.000 2.487 323 Y HA 0.379 4.929 4.550 -0.000 0.000 0.337 323 Y C 1.016 176.963 175.900 0.078 0.000 1.076 323 Y CA -0.498 57.628 58.100 0.044 0.000 1.115 323 Y CB 1.831 40.262 38.460 -0.048 0.000 1.235 323 Y HN 0.622 nan 8.280 nan 0.000 0.468 324 S N 0.474 116.292 115.700 0.196 0.000 2.655 324 S HA 0.481 4.951 4.470 -0.000 0.000 0.265 324 S C 1.239 175.961 174.600 0.204 0.000 1.240 324 S CA -0.247 58.044 58.200 0.152 0.000 0.986 324 S CB 1.138 64.387 63.200 0.082 0.000 0.985 324 S HN 0.869 nan 8.310 nan 0.000 0.562 325 A N 0.441 123.377 122.820 0.195 0.000 1.978 325 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 325 A C 1.483 179.095 177.584 0.048 0.000 1.170 325 A CA 1.640 53.819 52.037 0.237 0.000 0.636 325 A CB -0.937 18.166 19.000 0.172 0.000 0.810 325 A HN 0.852 nan 8.150 nan 0.000 0.448 326 D N -0.190 120.222 120.400 0.020 0.000 2.336 326 D HA 0.050 4.690 4.640 -0.000 0.000 0.229 326 D C -0.169 176.085 176.300 -0.077 0.000 1.061 326 D CA 0.306 54.290 54.000 -0.027 0.000 0.875 326 D CB 0.134 40.936 40.800 0.003 0.000 0.904 326 D HN 0.184 nan 8.370 nan 0.000 0.525 327 K N 0.407 120.724 120.400 -0.137 0.000 3.167 327 K HA -0.142 4.178 4.320 -0.000 0.000 0.272 327 K C -0.237 176.442 176.600 0.132 0.000 1.137 327 K CA 0.548 56.700 56.287 -0.226 0.000 0.800 327 K CB -1.690 30.532 32.500 -0.463 0.000 1.253 327 K HN 0.192 nan 8.250 nan 0.000 0.497 328 K N 0.370 120.870 120.400 0.166 0.000 2.182 328 K HA 0.408 4.728 4.320 -0.000 0.000 0.262 328 K C 0.264 176.902 176.600 0.063 0.000 0.957 328 K CA -0.893 55.476 56.287 0.136 0.000 0.842 328 K CB 1.833 34.363 32.500 0.050 0.000 1.099 328 K HN -0.091 nan 8.250 nan 0.000 0.438 329 V N 5.093 124.946 119.914 -0.102 0.000 2.529 329 V HA 0.029 4.149 4.120 -0.000 0.000 0.292 329 V C 1.599 177.554 176.094 -0.231 0.000 1.028 329 V CA 0.218 62.269 62.300 -0.415 0.000 1.074 329 V CB -0.093 31.494 31.823 -0.394 0.000 0.958 329 V HN 0.718 nan 8.190 nan 0.000 0.481 330 I N 1.845 122.275 120.570 -0.235 0.000 4.139 330 I HA 0.759 4.929 4.170 -0.000 0.000 0.335 330 I C 0.572 176.581 176.117 -0.180 0.000 1.327 330 I CA 0.139 61.356 61.300 -0.140 0.000 1.112 330 I CB 0.472 38.433 38.000 -0.064 0.000 1.058 330 I HN 0.574 nan 8.210 nan 0.000 0.396 331 A N 0.526 123.169 122.820 -0.294 0.000 2.586 331 A HA 0.627 4.947 4.320 -0.000 0.000 0.296 331 A C -1.032 176.201 177.584 -0.585 0.000 1.040 331 A CA -0.309 51.467 52.037 -0.434 0.000 0.701 331 A CB 1.170 19.901 19.000 -0.450 0.000 1.277 331 A HN 0.058 nan 8.150 nan 0.000 0.413 332 S N 1.367 116.682 115.700 -0.642 0.000 2.756 332 S HA 0.601 5.071 4.470 -0.000 0.000 0.303 332 S C -1.308 172.945 174.600 -0.578 0.000 1.135 332 S CA -0.501 57.390 58.200 -0.514 0.000 1.066 332 S CB 0.209 63.236 63.200 -0.288 0.000 1.008 332 S HN 0.651 nan 8.310 nan 0.000 0.482 333 H N 5.035 123.877 119.070 -0.380 0.000 2.504 333 H HA 0.376 4.932 4.556 -0.000 0.000 0.322 333 H C -2.564 172.630 175.328 -0.223 0.000 1.055 333 H CA -1.936 53.868 56.048 -0.408 0.000 1.231 333 H CB 1.310 30.424 29.762 -1.081 0.000 1.417 333 H HN 0.448 nan 8.280 nan 0.000 0.472 334 P HA 0.052 nan 4.420 nan 0.000 0.271 334 P C 0.146 177.601 177.300 0.258 0.000 1.220 334 P CA -0.008 63.170 63.100 0.129 0.000 0.768 334 P CB 0.969 32.756 31.700 0.145 0.000 0.848 335 M N 1.509 121.298 119.600 0.315 0.000 2.159 335 M HA 0.254 4.734 4.480 -0.000 0.000 0.293 335 M C 0.662 177.286 176.300 0.540 0.000 1.186 335 M CA 0.158 55.749 55.300 0.485 0.000 1.073 335 M CB 0.444 33.341 32.600 0.494 0.000 1.419 335 M HN 0.214 nan 8.290 nan 0.000 0.490 336 T N 1.364 116.156 114.554 0.397 0.000 2.758 336 T HA 0.343 4.693 4.350 -0.000 0.000 0.285 336 T C -0.316 174.330 174.700 -0.091 0.000 0.981 336 T CA -0.647 61.541 62.100 0.147 0.000 0.965 336 T CB 0.684 69.603 68.868 0.085 0.000 0.927 336 T HN 0.478 nan 8.240 nan 0.000 0.448 337 R N 2.362 122.543 120.500 -0.531 0.000 2.390 337 R HA 0.253 4.593 4.340 -0.000 0.000 0.291 337 R C -0.719 175.288 176.300 -0.489 0.000 1.070 337 R CA -0.506 54.976 56.100 -1.031 0.000 1.014 337 R CB 0.521 29.783 30.300 -1.729 0.000 1.007 337 R HN 0.555 nan 8.270 nan 0.000 0.466 338 D N 1.797 121.973 120.400 -0.373 0.000 2.329 338 D HA 0.060 4.700 4.640 -0.000 0.000 0.232 338 D C 0.910 177.126 176.300 -0.141 0.000 1.088 338 D CA -0.294 53.601 54.000 -0.174 0.000 0.835 338 D CB 1.538 42.290 40.800 -0.079 0.000 1.078 338 D HN 0.536 nan 8.370 nan 0.000 0.495 339 S N 3.035 118.681 115.700 -0.091 0.000 2.382 339 S HA -0.201 4.269 4.470 -0.000 0.000 0.228 339 S C 2.052 176.712 174.600 0.100 0.000 1.027 339 S CA 0.740 58.931 58.200 -0.014 0.000 0.991 339 S CB -0.377 62.814 63.200 -0.015 0.000 0.823 339 S HN 0.499 nan 8.310 nan 0.000 0.469 340 A N 2.204 125.071 122.820 0.079 0.000 1.902 340 A HA -0.022 4.297 4.320 -0.000 0.000 0.217 340 A C 2.534 180.269 177.584 0.252 0.000 1.181 340 A CA 2.088 54.197 52.037 0.120 0.000 0.623 340 A CB -0.989 18.050 19.000 0.065 0.000 0.818 340 A HN 0.820 nan 8.150 nan 0.000 0.443 341 S N -2.834 113.004 115.700 0.230 0.000 2.483 341 S HA 0.397 4.867 4.470 -0.000 0.000 0.221 341 S C 1.486 176.285 174.600 0.331 0.000 1.030 341 S CA 1.166 59.566 58.200 0.333 0.000 0.925 341 S CB -0.062 63.286 63.200 0.247 0.000 0.795 341 S HN 1.959 nan 8.310 nan 0.000 0.511 342 G N 1.175 109.996 108.800 0.035 0.000 2.136 342 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.242 342 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.242 342 G C 0.151 174.967 174.900 -0.139 0.000 0.989 342 G CA 0.020 44.922 45.100 -0.329 0.000 0.682 342 G HN 1.230 nan 8.290 nan 0.000 0.522 343 A N -0.903 121.974 122.820 0.095 0.000 2.295 343 A HA 0.779 5.099 4.320 -0.000 0.000 0.318 343 A C -0.382 177.236 177.584 0.058 0.000 1.134 343 A CA -0.463 51.744 52.037 0.283 0.000 0.827 343 A CB 0.804 20.048 19.000 0.405 0.000 1.136 343 A HN 0.675 nan 8.150 nan 0.000 0.493 344 W N 0.638 121.978 121.300 0.066 0.000 2.632 344 W HA 0.601 5.261 4.660 -0.000 0.000 0.328 344 W C 0.294 176.862 176.519 0.081 0.000 1.044 344 W CA 0.051 57.425 57.345 0.048 0.000 1.225 344 W CB 2.040 31.507 29.460 0.011 0.000 1.396 344 W HN 0.902 nan 8.180 nan 0.000 0.499 345 S N 1.038 116.926 115.700 0.313 0.000 2.627 345 S HA 0.796 5.266 4.470 -0.000 0.000 0.283 345 S C -1.910 172.915 174.600 0.374 0.000 1.127 345 S CA -0.845 57.526 58.200 0.285 0.000 0.863 345 S CB 2.218 65.498 63.200 0.132 0.000 1.121 345 S HN 0.559 nan 8.310 nan 0.000 0.479 346 W N 1.055 122.461 121.300 0.175 0.000 3.624 346 W HA 0.482 5.142 4.660 -0.000 0.000 0.312 346 W C -1.592 175.020 176.519 0.156 0.000 1.203 346 W CA -0.159 57.257 57.345 0.119 0.000 1.225 346 W CB 1.592 31.086 29.460 0.055 0.000 1.321 346 W HN 0.948 nan 8.180 nan 0.000 0.506 347 Q N 3.797 123.228 119.800 -0.616 0.000 2.316 347 Q HA 0.719 5.059 4.340 -0.000 0.000 0.264 347 Q C -0.201 175.221 176.000 -0.963 0.000 0.987 347 Q CA -0.358 55.148 55.803 -0.495 0.000 0.852 347 Q CB 1.782 30.314 28.738 -0.342 0.000 1.287 347 Q HN 0.737 nan 8.270 nan 0.000 0.448 348 G N 1.287 109.830 108.800 -0.429 0.000 3.022 348 G HA2 0.682 4.642 3.960 -0.000 0.000 0.284 348 G HA3 0.682 4.642 3.960 -0.000 0.000 0.284 348 G C -0.813 174.052 174.900 -0.058 0.000 1.375 348 G CA -0.448 44.477 45.100 -0.293 0.000 0.902 348 G HN 0.684 nan 8.290 nan 0.000 0.538 349 G N -1.070 107.744 108.800 0.024 0.000 2.528 349 G HA2 0.422 4.382 3.960 -0.000 0.000 0.289 349 G HA3 0.422 4.382 3.960 -0.000 0.000 0.289 349 G C 1.252 176.178 174.900 0.045 0.000 1.192 349 G CA 0.796 45.908 45.100 0.020 0.000 0.921 349 G HN 1.275 nan 8.290 nan 0.000 0.512 350 S N -0.529 115.181 115.700 0.017 0.000 2.547 350 S HA -0.123 4.347 4.470 -0.000 0.000 0.235 350 S C 1.501 176.116 174.600 0.026 0.000 0.980 350 S CA 1.318 59.525 58.200 0.011 0.000 0.941 350 S CB -0.141 63.056 63.200 -0.005 0.000 0.763 350 S HN 0.720 nan 8.310 nan 0.000 0.532 351 D N 1.826 122.251 120.400 0.043 0.000 2.350 351 D HA -0.080 4.559 4.640 -0.000 0.000 0.216 351 D C 1.535 177.873 176.300 0.063 0.000 0.968 351 D CA 0.379 54.407 54.000 0.047 0.000 0.894 351 D CB -0.413 40.419 40.800 0.053 0.000 0.909 351 D HN 0.463 nan 8.370 nan 0.000 0.520 352 L N -0.077 121.201 121.223 0.092 0.000 2.599 352 L HA 0.031 4.371 4.340 -0.000 0.000 0.230 352 L C 1.414 178.324 176.870 0.067 0.000 1.141 352 L CA -0.164 54.751 54.840 0.125 0.000 0.877 352 L CB -0.288 41.920 42.059 0.248 0.000 1.009 352 L HN -0.076 nan 8.230 nan 0.000 0.447 353 K N 0.910 121.324 120.400 0.023 0.000 2.511 353 K HA 0.043 4.363 4.320 -0.000 0.000 0.280 353 K C 1.143 177.721 176.600 -0.037 0.000 1.008 353 K CA 0.957 57.235 56.287 -0.015 0.000 1.050 353 K CB 0.295 32.783 32.500 -0.020 0.000 0.889 353 K HN 0.213 nan 8.250 nan 0.000 0.484 354 G N 1.970 110.726 108.800 -0.074 0.000 2.234 354 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 354 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 354 G C 0.197 174.930 174.900 -0.278 0.000 0.987 354 G CA 0.200 45.202 45.100 -0.162 0.000 0.625 354 G HN 0.990 nan 8.290 nan 0.000 0.532 355 A N -0.127 122.621 122.820 -0.119 0.000 2.407 355 A HA 0.669 4.989 4.320 -0.000 0.000 0.248 355 A C 0.067 177.622 177.584 -0.047 0.000 1.082 355 A CA 0.029 52.029 52.037 -0.063 0.000 0.785 355 A CB 0.224 19.286 19.000 0.103 0.000 1.020 355 A HN 0.600 nan 8.150 nan 0.000 0.489 356 F N 0.793 120.864 119.950 0.202 0.000 2.379 356 F HA 0.554 5.081 4.527 -0.000 0.000 0.332 356 F C 0.260 176.291 175.800 0.386 0.000 1.096 356 F CA 0.396 58.520 58.000 0.207 0.000 1.105 356 F CB 1.197 40.193 39.000 -0.008 0.000 1.189 356 F HN 0.677 nan 8.300 nan 0.000 0.515 357 Y N -0.313 120.221 120.300 0.390 0.000 2.656 357 Y HA 0.820 5.370 4.550 -0.000 0.000 0.334 357 Y C -1.402 174.589 175.900 0.152 0.000 1.179 357 Y CA -1.675 56.586 58.100 0.269 0.000 1.050 357 Y CB 1.498 40.012 38.460 0.090 0.000 1.308 357 Y HN 0.539 nan 8.280 nan 0.000 0.456 358 R N 0.509 121.078 120.500 0.115 0.000 2.734 358 R HA 0.408 4.748 4.340 -0.000 0.000 0.271 358 R C -2.235 174.028 176.300 -0.062 0.000 1.021 358 R CA -1.226 54.821 56.100 -0.087 0.000 0.893 358 R CB 2.274 32.588 30.300 0.024 0.000 1.244 358 R HN 0.720 nan 8.270 nan 0.000 0.464 359 Y N 0.255 120.652 120.300 0.162 0.000 2.335 359 Y HA 0.436 4.986 4.550 -0.000 0.000 0.339 359 Y C 0.323 176.265 175.900 0.071 0.000 0.987 359 Y CA -0.790 57.377 58.100 0.113 0.000 1.140 359 Y CB 1.874 40.406 38.460 0.120 0.000 1.173 359 Y HN 0.619 nan 8.280 nan 0.000 0.486 360 A N 6.010 128.934 122.820 0.172 0.000 2.310 360 A HA 0.564 4.883 4.320 -0.000 0.000 0.300 360 A C -0.220 177.389 177.584 0.042 0.000 1.269 360 A CA -0.610 51.488 52.037 0.102 0.000 0.909 360 A CB -0.284 18.739 19.000 0.039 0.000 1.144 360 A HN 0.620 nan 8.150 nan 0.000 0.540 361 M N 1.815 121.471 119.600 0.093 0.000 2.367 361 M HA 0.412 4.892 4.480 -0.000 0.000 0.339 361 M C -0.325 175.905 176.300 -0.117 0.000 1.177 361 M CA 0.032 55.332 55.300 -0.001 0.000 1.068 361 M CB 1.015 33.722 32.600 0.179 0.000 1.602 361 M HN 0.480 nan 8.290 nan 0.000 0.457 362 T N 1.948 116.402 114.554 -0.167 0.000 3.009 362 T HA 0.572 4.922 4.350 -0.000 0.000 0.346 362 T C -1.004 173.605 174.700 -0.152 0.000 1.092 362 T CA -0.520 61.477 62.100 -0.171 0.000 1.080 362 T CB 0.927 69.724 68.868 -0.119 0.000 1.037 362 T HN 0.569 nan 8.240 nan 0.000 0.487 363 V N 3.991 123.801 119.914 -0.173 0.000 2.932 363 V HA 0.576 4.696 4.120 -0.000 0.000 0.307 363 V C -1.674 174.373 176.094 -0.077 0.000 1.147 363 V CA -1.130 61.111 62.300 -0.097 0.000 0.951 363 V CB 2.070 33.855 31.823 -0.063 0.000 1.031 363 V HN 0.787 nan 8.190 nan 0.000 0.426 364 Y N 6.085 126.303 120.300 -0.137 0.000 2.465 364 Y HA 0.427 4.977 4.550 -0.000 0.000 0.331 364 Y C -0.122 175.706 175.900 -0.121 0.000 1.102 364 Y CA 0.225 58.250 58.100 -0.126 0.000 1.358 364 Y CB 0.343 38.722 38.460 -0.136 0.000 1.213 364 Y HN 0.803 nan 8.280 nan 0.000 0.525 365 H N 8.986 127.512 119.070 -0.907 0.000 2.595 365 H HA 0.295 4.851 4.556 -0.000 0.000 0.313 365 H C -2.147 172.449 175.328 -1.220 0.000 1.023 365 H CA -2.604 52.980 56.048 -0.772 0.000 1.218 365 H CB 2.042 31.597 29.762 -0.345 0.000 1.403 365 H HN 0.510 nan 8.280 nan 0.000 0.477 366 P HA -0.182 nan 4.420 nan 0.000 0.217 366 P C 1.550 178.485 177.300 -0.607 0.000 1.148 366 P CA 1.244 63.685 63.100 -1.098 0.000 0.828 366 P CB 0.370 30.883 31.700 -1.978 0.000 0.783 367 Q N 0.040 119.699 119.800 -0.235 0.000 2.084 367 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 367 Q C 1.875 177.854 176.000 -0.035 0.000 0.978 367 Q CA 2.305 58.160 55.803 0.086 0.000 0.844 367 Q CB -0.303 28.558 28.738 0.204 0.000 0.898 367 Q HN 0.283 nan 8.270 nan 0.000 0.426 368 S N -1.149 114.464 115.700 -0.146 0.000 2.524 368 S HA 0.151 4.621 4.470 -0.000 0.000 0.216 368 S C 0.364 174.903 174.600 -0.101 0.000 0.987 368 S CA 0.036 58.163 58.200 -0.121 0.000 0.909 368 S CB 0.159 63.267 63.200 -0.153 0.000 0.781 368 S HN 0.439 nan 8.310 nan 0.000 0.521 369 R N 1.038 121.430 120.500 -0.179 0.000 3.641 369 R HA -0.162 4.178 4.340 -0.000 0.000 0.286 369 R C -0.544 175.816 176.300 0.099 0.000 1.153 369 R CA 1.326 57.420 56.100 -0.009 0.000 0.775 369 R CB -2.210 28.148 30.300 0.097 0.000 1.215 369 R HN 0.849 nan 8.270 nan 0.000 0.474 370 K N -1.715 118.636 120.400 -0.081 0.000 2.508 370 K HA 0.477 4.797 4.320 -0.000 0.000 0.260 370 K C -0.340 176.249 176.600 -0.018 0.000 0.949 370 K CA -1.047 55.252 56.287 0.020 0.000 0.834 370 K CB 2.003 34.486 32.500 -0.027 0.000 1.365 370 K HN -0.090 nan 8.250 nan 0.000 0.437 371 V N 3.273 123.207 119.914 0.033 0.000 2.364 371 V HA 0.047 4.166 4.120 -0.000 0.000 0.252 371 V C 0.169 176.180 176.094 -0.138 0.000 1.075 371 V CA -0.159 62.124 62.300 -0.028 0.000 1.033 371 V CB -0.163 31.638 31.823 -0.036 0.000 1.116 371 V HN 0.659 nan 8.190 nan 0.000 0.488 372 E N 3.616 123.671 120.200 -0.243 0.000 2.390 372 E HA 0.281 4.631 4.350 -0.000 0.000 0.261 372 E C -0.223 176.037 176.600 -0.567 0.000 1.076 372 E CA -0.348 55.786 56.400 -0.443 0.000 0.905 372 E CB 1.340 30.637 29.700 -0.673 0.000 0.984 372 E HN 0.605 nan 8.360 nan 0.000 0.427 373 Q N 2.308 121.789 119.800 -0.531 0.000 2.337 373 Q HA 0.315 4.655 4.340 -0.000 0.000 0.264 373 Q C -1.906 173.951 176.000 -0.238 0.000 1.007 373 Q CA -0.582 55.011 55.803 -0.350 0.000 0.727 373 Q CB 0.543 29.186 28.738 -0.157 0.000 1.256 373 Q HN 0.552 nan 8.270 nan 0.000 0.467 374 Y N -0.392 119.906 120.300 -0.005 0.000 2.624 374 Y HA 0.607 5.157 4.550 -0.000 0.000 0.334 374 Y C -0.674 175.237 175.900 0.018 0.000 1.155 374 Y CA -1.370 56.733 58.100 0.004 0.000 1.046 374 Y CB 1.382 39.843 38.460 0.003 0.000 1.316 374 Y HN 0.288 nan 8.280 nan 0.000 0.457 375 E N 1.892 122.235 120.200 0.240 0.000 2.197 375 E HA 0.575 4.925 4.350 -0.000 0.000 0.281 375 E C -1.249 175.387 176.600 0.058 0.000 0.995 375 E CA -0.929 55.559 56.400 0.147 0.000 0.808 375 E CB 2.506 32.269 29.700 0.105 0.000 1.093 375 E HN 0.448 nan 8.360 nan 0.000 0.394 376 V N 1.934 121.897 119.914 0.082 0.000 2.876 376 V HA 0.284 4.404 4.120 -0.000 0.000 0.312 376 V C 0.356 176.483 176.094 0.056 0.000 1.085 376 V CA -1.091 61.230 62.300 0.035 0.000 0.945 376 V CB 1.937 33.790 31.823 0.049 0.000 1.017 376 V HN 0.857 nan 8.190 nan 0.000 0.428 377 T N -0.655 113.910 114.554 0.019 0.000 2.813 377 T HA 0.192 4.542 4.350 -0.000 0.000 0.297 377 T C -0.117 174.671 174.700 0.148 0.000 1.036 377 T CA -0.447 61.637 62.100 -0.026 0.000 1.044 377 T CB 0.713 69.584 68.868 0.005 0.000 0.993 377 T HN 0.684 nan 8.240 nan 0.000 0.535 378 D N 1.993 122.442 120.400 0.083 0.000 2.383 378 D HA 0.162 4.801 4.640 -0.000 0.000 0.252 378 D C -1.072 175.457 176.300 0.382 0.000 1.166 378 D CA -2.236 51.997 54.000 0.389 0.000 0.879 378 D CB 1.378 42.425 40.800 0.412 0.000 1.164 378 D HN 0.270 nan 8.370 nan 0.000 0.462 379 P HA -0.123 nan 4.420 nan 0.000 0.226 379 P C 0.577 178.079 177.300 0.337 0.000 1.153 379 P CA 0.805 64.112 63.100 0.346 0.000 0.777 379 P CB 0.071 31.941 31.700 0.283 0.000 0.794 380 Y N 0.005 120.441 120.300 0.226 0.000 2.625 380 Y HA 0.410 4.960 4.550 -0.000 0.000 0.285 380 Y C 1.272 177.088 175.900 -0.140 0.000 1.168 380 Y CA -0.795 57.363 58.100 0.097 0.000 1.250 380 Y CB -0.165 38.379 38.460 0.139 0.000 1.130 380 Y HN -0.093 nan 8.280 nan 0.000 0.526 381 A N -0.361 122.520 122.820 0.102 0.000 2.531 381 A HA -0.005 4.314 4.320 -0.000 0.000 0.236 381 A C 0.149 177.703 177.584 -0.050 0.000 1.062 381 A CA 0.462 52.485 52.037 -0.024 0.000 0.760 381 A CB 0.054 18.964 19.000 -0.150 0.000 0.995 381 A HN 0.745 nan 8.150 nan 0.000 0.501 382 H N 0.062 119.165 119.070 0.055 0.000 3.058 382 H HA 0.363 4.919 4.556 -0.000 0.000 0.266 382 H C 0.077 175.389 175.328 -0.026 0.000 1.135 382 H CA 0.543 56.590 56.048 -0.003 0.000 1.174 382 H CB 0.792 30.559 29.762 0.008 0.000 1.581 382 H HN 0.583 nan 8.280 nan 0.000 0.553 383 S N 0.651 116.392 115.700 0.068 0.000 2.547 383 S HA 0.602 5.072 4.470 -0.000 0.000 0.270 383 S C -1.845 172.737 174.600 -0.029 0.000 1.150 383 S CA -0.636 57.578 58.200 0.023 0.000 0.850 383 S CB 1.150 64.371 63.200 0.036 0.000 1.118 383 S HN 0.175 nan 8.310 nan 0.000 0.461 384 L N 2.097 123.309 121.223 -0.017 0.000 2.403 384 L HA 0.641 4.981 4.340 -0.000 0.000 0.253 384 L C 0.102 177.034 176.870 0.102 0.000 1.045 384 L CA -0.926 53.890 54.840 -0.040 0.000 0.845 384 L CB 2.346 44.260 42.059 -0.242 0.000 1.447 384 L HN 0.768 nan 8.230 nan 0.000 0.411 385 S N -1.516 114.222 115.700 0.062 0.000 2.713 385 S HA 0.408 4.878 4.470 -0.000 0.000 0.277 385 S C -0.065 174.435 174.600 -0.166 0.000 1.168 385 S CA -0.629 57.529 58.200 -0.070 0.000 0.994 385 S CB 1.086 64.025 63.200 -0.434 0.000 1.054 385 S HN 0.535 nan 8.310 nan 0.000 0.555 386 T N 2.672 117.072 114.554 -0.256 0.000 2.908 386 T HA 0.143 4.493 4.350 -0.000 0.000 0.301 386 T C 0.827 175.198 174.700 -0.548 0.000 1.019 386 T CA 0.865 62.681 62.100 -0.473 0.000 1.152 386 T CB -0.831 67.580 68.868 -0.761 0.000 0.966 386 T HN 0.822 nan 8.240 nan 0.000 0.540 387 N N 1.306 119.735 118.700 -0.451 0.000 2.782 387 N HA -0.288 4.452 4.740 -0.000 0.000 0.251 387 N C 0.072 175.516 175.510 -0.110 0.000 1.101 387 N CA 0.494 53.405 53.050 -0.231 0.000 0.764 387 N CB -0.892 37.494 38.487 -0.168 0.000 1.122 387 N HN 0.813 nan 8.380 nan 0.000 0.561 388 S N -1.865 113.694 115.700 -0.236 0.000 3.476 388 S HA -0.226 4.244 4.470 -0.000 0.000 0.309 388 S C 0.821 175.231 174.600 -0.318 0.000 1.222 388 S CA 1.400 59.363 58.200 -0.395 0.000 0.922 388 S CB -1.246 61.461 63.200 -0.822 0.000 1.023 388 S HN 0.665 nan 8.310 nan 0.000 0.591 389 E N -0.748 119.339 120.200 -0.187 0.000 2.150 389 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 389 E C -0.019 176.213 176.600 -0.613 0.000 0.985 389 E CA 1.030 57.252 56.400 -0.296 0.000 0.814 389 E CB 0.117 29.703 29.700 -0.191 0.000 0.752 389 E HN 0.755 nan 8.360 nan 0.000 0.466 390 Y N -0.227 119.899 120.300 -0.290 0.000 2.512 390 Y HA 0.221 4.771 4.550 -0.000 0.000 0.348 390 Y C 0.173 175.923 175.900 -0.251 0.000 0.990 390 Y CA -1.233 56.693 58.100 -0.290 0.000 1.033 390 Y CB 1.764 40.025 38.460 -0.331 0.000 1.259 390 Y HN -0.176 nan 8.280 nan 0.000 0.461 391 S N 1.383 116.928 115.700 -0.259 0.000 2.669 391 S HA 0.576 5.046 4.470 -0.000 0.000 0.270 391 S C -0.773 173.736 174.600 -0.152 0.000 1.225 391 S CA -0.903 57.055 58.200 -0.403 0.000 0.991 391 S CB 1.937 64.660 63.200 -0.795 0.000 0.987 391 S HN 0.700 nan 8.310 nan 0.000 0.552 392 Q N 0.269 120.089 119.800 0.033 0.000 2.359 392 Q HA 0.480 4.819 4.340 -0.000 0.000 0.274 392 Q C -1.755 174.410 176.000 0.274 0.000 1.074 392 Q CA -0.826 55.067 55.803 0.150 0.000 0.810 392 Q CB 2.008 30.695 28.738 -0.085 0.000 1.342 392 Q HN 0.652 nan 8.270 nan 0.000 0.427 393 V N 3.388 123.446 119.914 0.240 0.000 2.521 393 V HA 0.338 4.458 4.120 -0.000 0.000 0.286 393 V C -0.069 176.029 176.094 0.006 0.000 1.034 393 V CA -0.012 62.337 62.300 0.081 0.000 1.045 393 V CB 0.878 32.694 31.823 -0.013 0.000 0.974 393 V HN 0.552 nan 8.190 nan 0.000 0.480 394 V N 3.962 123.883 119.914 0.011 0.000 3.087 394 V HA 0.563 4.683 4.120 -0.000 0.000 0.306 394 V C -1.662 174.429 176.094 -0.005 0.000 1.187 394 V CA -0.630 61.668 62.300 -0.004 0.000 0.999 394 V CB 2.622 34.453 31.823 0.013 0.000 1.049 394 V HN 0.930 nan 8.190 nan 0.000 0.431 395 D N 4.372 124.754 120.400 -0.030 0.000 2.464 395 D HA 0.340 4.980 4.640 -0.000 0.000 0.243 395 D C 1.019 177.279 176.300 -0.066 0.000 1.104 395 D CA -0.275 53.702 54.000 -0.038 0.000 0.883 395 D CB 1.254 42.031 40.800 -0.040 0.000 1.050 395 D HN 0.517 nan 8.370 nan 0.000 0.524 396 L N 2.855 124.021 121.223 -0.096 0.000 2.349 396 L HA -0.150 4.190 4.340 -0.000 0.000 0.220 396 L C 1.317 178.095 176.870 -0.154 0.000 1.130 396 L CA 0.804 55.540 54.840 -0.173 0.000 0.791 396 L CB -0.334 41.557 42.059 -0.281 0.000 0.918 396 L HN 0.331 nan 8.230 nan 0.000 0.444 397 N N -1.028 117.618 118.700 -0.091 0.000 2.457 397 N HA -0.090 4.650 4.740 -0.000 0.000 0.180 397 N C 0.544 176.028 175.510 -0.043 0.000 1.050 397 N CA 0.070 53.089 53.050 -0.051 0.000 0.906 397 N CB -0.014 38.457 38.487 -0.027 0.000 0.968 397 N HN 0.197 nan 8.380 nan 0.000 0.445 398 D N 0.503 120.869 120.400 -0.057 0.000 2.531 398 D HA -0.060 4.580 4.640 -0.000 0.000 0.239 398 D C 0.978 177.249 176.300 -0.048 0.000 1.144 398 D CA 0.171 54.143 54.000 -0.046 0.000 0.869 398 D CB 0.733 41.503 40.800 -0.050 0.000 1.160 398 D HN 0.251 nan 8.370 nan 0.000 0.484 399 S N 3.136 118.822 115.700 -0.023 0.000 2.419 399 S HA -0.159 4.310 4.470 -0.000 0.000 0.233 399 S C 1.888 176.473 174.600 -0.026 0.000 1.016 399 S CA 0.789 58.982 58.200 -0.011 0.000 0.974 399 S CB -0.086 63.118 63.200 0.007 0.000 0.786 399 S HN 0.516 nan 8.310 nan 0.000 0.492 400 A N 1.294 124.096 122.820 -0.031 0.000 2.121 400 A HA 0.303 4.623 4.320 -0.000 0.000 0.218 400 A C 1.907 179.461 177.584 -0.049 0.000 1.154 400 A CA 0.770 52.788 52.037 -0.030 0.000 0.679 400 A CB -0.550 18.436 19.000 -0.025 0.000 0.795 400 A HN 0.593 nan 8.150 nan 0.000 0.458 401 L N -1.141 120.034 121.223 -0.080 0.000 2.700 401 L HA 0.207 4.547 4.340 -0.000 0.000 0.234 401 L C -0.219 176.527 176.870 -0.206 0.000 1.156 401 L CA 0.056 54.824 54.840 -0.120 0.000 0.946 401 L CB 0.014 41.994 42.059 -0.132 0.000 1.216 401 L HN 0.155 nan 8.230 nan 0.000 0.493 402 K N 1.230 121.528 120.400 -0.171 0.000 2.324 402 K HA 0.456 4.775 4.320 -0.000 0.000 0.253 402 K C -2.499 174.059 176.600 -0.069 0.000 0.932 402 K CA -1.789 54.359 56.287 -0.231 0.000 0.799 402 K CB 2.225 34.644 32.500 -0.134 0.000 1.154 402 K HN -0.247 nan 8.250 nan 0.000 0.425 403 P HA 0.021 nan 4.420 nan 0.000 0.274 403 P C -0.666 176.711 177.300 0.127 0.000 1.246 403 P CA -0.360 62.777 63.100 0.062 0.000 0.795 403 P CB 0.623 32.383 31.700 0.099 0.000 1.006 404 E N 0.472 120.728 120.200 0.093 0.000 2.480 404 E HA 0.235 4.584 4.350 -0.000 0.000 0.258 404 E C 1.259 177.927 176.600 0.113 0.000 0.984 404 E CA 1.446 57.899 56.400 0.088 0.000 0.930 404 E CB -1.000 28.733 29.700 0.056 0.000 0.936 404 E HN 0.767 nan 8.360 nan 0.000 0.466 405 G N 4.982 113.848 108.800 0.109 0.000 2.148 405 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.254 405 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.254 405 G C 0.810 175.778 174.900 0.114 0.000 0.981 405 G CA 0.345 45.497 45.100 0.086 0.000 0.670 405 G HN 0.707 nan 8.290 nan 0.000 0.528 406 W N 1.093 122.394 121.300 0.002 0.000 2.317 406 W HA -0.167 4.492 4.660 -0.000 0.000 0.318 406 W C 1.524 178.046 176.519 0.004 0.000 1.227 406 W CA 2.192 59.540 57.345 0.005 0.000 1.269 406 W CB -0.254 29.208 29.460 0.005 0.000 1.155 406 W HN 0.347 nan 8.180 nan 0.000 0.484 407 D N -0.188 120.217 120.400 0.008 0.000 2.221 407 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 407 D C 2.119 178.316 176.300 -0.171 0.000 0.982 407 D CA 1.808 55.745 54.000 -0.105 0.000 0.857 407 D CB -0.897 39.923 40.800 0.033 0.000 0.934 407 D HN 0.320 nan 8.370 nan 0.000 0.475 408 G N 0.053 108.773 108.800 -0.133 0.000 3.042 408 G HA2 0.059 4.019 3.960 -0.000 0.000 0.212 408 G HA3 0.059 4.019 3.960 -0.000 0.000 0.212 408 G C 0.536 175.338 174.900 -0.163 0.000 1.166 408 G CA -0.383 44.646 45.100 -0.118 0.000 0.767 408 G HN 0.140 nan 8.290 nan 0.000 0.546 409 L N 2.006 123.065 121.223 -0.273 0.000 2.584 409 L HA 0.394 4.734 4.340 -0.000 0.000 0.272 409 L C 0.457 177.187 176.870 -0.234 0.000 1.195 409 L CA 0.417 55.086 54.840 -0.285 0.000 0.920 409 L CB 0.739 42.499 42.059 -0.498 0.000 1.173 409 L HN -0.032 nan 8.230 nan 0.000 0.489 410 T N 5.816 120.278 114.554 -0.154 0.000 2.950 410 T HA 0.550 4.900 4.350 -0.000 0.000 0.288 410 T C -0.072 174.569 174.700 -0.099 0.000 1.035 410 T CA -0.973 61.058 62.100 -0.115 0.000 1.028 410 T CB 0.776 69.592 68.868 -0.087 0.000 1.109 410 T HN 0.684 nan 8.240 nan 0.000 0.514 411 M N 4.012 123.570 119.600 -0.070 0.000 2.184 411 M HA 0.381 4.861 4.480 -0.000 0.000 0.351 411 M C -1.756 174.500 176.300 -0.075 0.000 1.395 411 M CA -1.571 53.696 55.300 -0.054 0.000 1.117 411 M CB 1.000 33.593 32.600 -0.011 0.000 1.708 411 M HN 0.331 nan 8.290 nan 0.000 0.468 412 P HA -0.063 nan 4.420 nan 0.000 0.221 412 P C -0.420 176.660 177.300 -0.366 0.000 1.150 412 P CA 1.467 64.438 63.100 -0.215 0.000 0.800 412 P CB 0.010 31.584 31.700 -0.209 0.000 0.787 413 H N -0.520 118.504 119.070 -0.076 0.000 2.489 413 H HA 0.582 5.138 4.556 -0.000 0.000 0.343 413 H C -0.070 175.259 175.328 0.001 0.000 1.086 413 H CA -0.720 55.307 56.048 -0.036 0.000 1.198 413 H CB 1.391 31.133 29.762 -0.032 0.000 1.490 413 H HN 0.031 nan 8.280 nan 0.000 0.504 414 A N 2.146 125.036 122.820 0.115 0.000 2.407 414 A HA 0.185 4.505 4.320 -0.000 0.000 0.248 414 A C 0.273 177.923 177.584 0.110 0.000 1.082 414 A CA -0.243 51.846 52.037 0.086 0.000 0.785 414 A CB 0.340 19.372 19.000 0.053 0.000 1.020 414 A HN 0.956 nan 8.150 nan 0.000 0.489 415 Q N 0.432 120.293 119.800 0.101 0.000 2.055 415 Q HA 0.106 4.446 4.340 -0.000 0.000 0.226 415 Q C 1.074 177.137 176.000 0.104 0.000 0.805 415 Q CA -0.142 55.722 55.803 0.102 0.000 1.072 415 Q CB 0.629 29.462 28.738 0.159 0.000 1.219 415 Q HN 0.887 nan 8.270 nan 0.000 0.451 416 K N 1.098 121.546 120.400 0.080 0.000 1.991 416 K HA -0.021 4.299 4.320 -0.000 0.000 0.207 416 K C 1.079 177.722 176.600 0.071 0.000 1.045 416 K CA 1.595 57.926 56.287 0.074 0.000 0.937 416 K CB 0.181 32.711 32.500 0.050 0.000 0.720 416 K HN 0.216 nan 8.250 nan 0.000 0.438 417 T N -1.532 113.053 114.554 0.053 0.000 2.881 417 T HA 0.224 4.574 4.350 -0.000 0.000 0.278 417 T C 0.781 175.506 174.700 0.043 0.000 0.982 417 T CA -0.685 61.443 62.100 0.048 0.000 0.989 417 T CB 1.445 70.333 68.868 0.033 0.000 1.058 417 T HN 0.100 nan 8.240 nan 0.000 0.529 418 K N 0.328 120.754 120.400 0.043 0.000 2.147 418 K HA -0.019 4.301 4.320 -0.000 0.000 0.205 418 K C 2.560 179.162 176.600 0.002 0.000 1.049 418 K CA 1.153 57.457 56.287 0.028 0.000 0.936 418 K CB -0.546 31.978 32.500 0.039 0.000 0.722 418 K HN 0.707 nan 8.250 nan 0.000 0.446 419 A N 1.992 124.818 122.820 0.010 0.000 1.902 419 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 419 A C 1.606 179.191 177.584 0.001 0.000 1.181 419 A CA 1.814 53.854 52.037 0.005 0.000 0.623 419 A CB -0.349 18.658 19.000 0.012 0.000 0.818 419 A HN 0.173 nan 8.150 nan 0.000 0.443 420 D N 0.186 120.591 120.400 0.008 0.000 2.097 420 D HA -0.124 4.516 4.640 -0.000 0.000 0.195 420 D C 1.983 178.269 176.300 -0.023 0.000 0.989 420 D CA 1.148 55.157 54.000 0.015 0.000 0.827 420 D CB -0.431 40.390 40.800 0.034 0.000 0.966 420 D HN 0.441 nan 8.370 nan 0.000 0.456 421 L N 0.832 122.016 121.223 -0.066 0.000 2.042 421 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 421 L C 2.525 179.264 176.870 -0.220 0.000 1.076 421 L CA 1.118 55.841 54.840 -0.196 0.000 0.749 421 L CB -0.447 41.467 42.059 -0.242 0.000 0.893 421 L HN -0.022 nan 8.230 nan 0.000 0.432 422 A N 0.010 122.753 122.820 -0.128 0.000 2.024 422 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 422 A C 2.184 179.711 177.584 -0.096 0.000 1.164 422 A CA 1.561 53.534 52.037 -0.106 0.000 0.643 422 A CB -0.358 18.613 19.000 -0.049 0.000 0.806 422 A HN 0.368 nan 8.150 nan 0.000 0.451 423 K N -1.000 119.355 120.400 -0.075 0.000 2.486 423 K HA 0.120 4.440 4.320 -0.000 0.000 0.194 423 K C 0.707 177.243 176.600 -0.106 0.000 1.033 423 K CA -0.079 56.175 56.287 -0.053 0.000 1.004 423 K CB -0.193 32.309 32.500 0.003 0.000 0.798 423 K HN 0.596 nan 8.250 nan 0.000 0.495 424 M N 1.991 121.474 119.600 -0.196 0.000 2.327 424 M HA -0.060 4.420 4.480 -0.000 0.000 0.353 424 M C -0.968 175.191 176.300 -0.235 0.000 1.539 424 M CA 1.167 56.265 55.300 -0.337 0.000 1.039 424 M CB 0.339 32.578 32.600 -0.601 0.000 1.967 424 M HN -0.099 nan 8.290 nan 0.000 0.459 425 T N 7.273 121.730 114.554 -0.161 0.000 2.963 425 T HA 0.486 4.835 4.350 -0.000 0.000 0.328 425 T C -0.357 174.330 174.700 -0.022 0.000 1.048 425 T CA -0.505 61.550 62.100 -0.076 0.000 1.033 425 T CB 0.229 69.061 68.868 -0.061 0.000 1.010 425 T HN 0.558 nan 8.240 nan 0.000 0.469 426 I N 2.454 123.010 120.570 -0.024 0.000 2.396 426 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 426 I C 0.164 176.238 176.117 -0.072 0.000 0.999 426 I CA -0.695 60.595 61.300 -0.017 0.000 1.310 426 I CB 0.825 38.828 38.000 0.005 0.000 1.404 426 I HN 0.584 nan 8.210 nan 0.000 0.496 427 H N 5.096 124.095 119.070 -0.118 0.000 2.725 427 H HA 0.207 4.763 4.556 -0.000 0.000 0.283 427 H C -0.528 174.718 175.328 -0.138 0.000 1.110 427 H CA -0.475 55.505 56.048 -0.114 0.000 1.289 427 H CB 0.727 30.479 29.762 -0.016 0.000 1.400 427 H HN 0.514 nan 8.280 nan 0.000 0.493 428 E N 3.916 123.864 120.200 -0.420 0.000 2.220 428 E HA 0.180 4.530 4.350 -0.000 0.000 0.272 428 E C -0.664 175.846 176.600 -0.149 0.000 1.099 428 E CA 0.002 56.263 56.400 -0.232 0.000 0.907 428 E CB 0.390 29.962 29.700 -0.214 0.000 1.022 428 E HN 0.597 nan 8.360 nan 0.000 0.428 429 S N 3.264 118.940 115.700 -0.040 0.000 2.677 429 S HA 0.410 4.880 4.470 -0.000 0.000 0.304 429 S C -1.034 173.587 174.600 0.035 0.000 1.108 429 S CA -0.785 57.425 58.200 0.018 0.000 0.944 429 S CB 1.443 64.684 63.200 0.069 0.000 1.127 429 S HN 0.629 nan 8.310 nan 0.000 0.511 430 H N 0.264 119.310 119.070 -0.040 0.000 2.679 430 H HA 0.474 5.030 4.556 -0.000 0.000 0.360 430 H C 0.757 176.002 175.328 -0.138 0.000 1.105 430 H CA -0.809 55.185 56.048 -0.089 0.000 1.196 430 H CB 0.386 30.154 29.762 0.010 0.000 1.636 430 H HN 0.406 nan 8.280 nan 0.000 0.531 431 I N 3.205 123.328 120.570 -0.745 0.000 2.194 431 I HA -0.245 3.925 4.170 -0.000 0.000 0.246 431 I C 2.177 178.106 176.117 -0.312 0.000 1.093 431 I CA 1.404 62.292 61.300 -0.685 0.000 1.355 431 I CB -0.661 36.462 38.000 -1.461 0.000 1.046 431 I HN 0.731 nan 8.210 nan 0.000 0.413 432 R N 0.262 120.713 120.500 -0.080 0.000 2.093 432 R HA -0.101 4.239 4.340 -0.000 0.000 0.224 432 R C 1.853 178.386 176.300 0.388 0.000 1.101 432 R CA 0.985 57.234 56.100 0.249 0.000 0.979 432 R CB -0.178 30.359 30.300 0.396 0.000 0.877 432 R HN 0.325 nan 8.270 nan 0.000 0.441 433 D N 1.033 121.755 120.400 0.537 0.000 2.182 433 D HA -0.162 4.478 4.640 -0.000 0.000 0.201 433 D C 1.897 178.395 176.300 0.330 0.000 0.986 433 D CA 1.033 55.275 54.000 0.404 0.000 0.847 433 D CB -0.094 40.913 40.800 0.345 0.000 0.942 433 D HN 0.177 nan 8.370 nan 0.000 0.467 434 L N 0.228 121.608 121.223 0.262 0.000 2.005 434 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 434 L C 2.070 179.079 176.870 0.232 0.000 1.072 434 L CA 1.552 56.536 54.840 0.239 0.000 0.744 434 L CB -0.192 41.913 42.059 0.077 0.000 0.895 434 L HN 0.071 nan 8.230 nan 0.000 0.433 435 S N -1.894 113.898 115.700 0.153 0.000 2.666 435 S HA 0.283 4.753 4.470 -0.000 0.000 0.239 435 S C 1.630 176.306 174.600 0.128 0.000 1.031 435 S CA 0.127 58.402 58.200 0.124 0.000 1.015 435 S CB 0.610 63.831 63.200 0.035 0.000 0.981 435 S HN 0.186 nan 8.310 nan 0.000 0.547 436 A N 0.979 123.899 122.820 0.167 0.000 1.978 436 A HA 0.050 4.369 4.320 -0.000 0.000 0.220 436 A C 1.490 179.021 177.584 -0.090 0.000 1.170 436 A CA 1.063 53.129 52.037 0.048 0.000 0.636 436 A CB -0.870 18.188 19.000 0.096 0.000 0.810 436 A HN 0.772 nan 8.150 nan 0.000 0.448 437 W N -0.686 120.642 121.300 0.047 0.000 3.177 437 W HA 0.266 4.926 4.660 -0.000 0.000 0.309 437 W C -0.043 176.489 176.519 0.021 0.000 1.224 437 W CA -0.449 56.903 57.345 0.012 0.000 1.718 437 W CB 0.438 29.875 29.460 -0.038 0.000 1.078 437 W HN 0.104 nan 8.180 nan 0.000 0.618 438 D N 1.014 121.551 120.400 0.229 0.000 2.359 438 D HA -0.009 4.631 4.640 -0.000 0.000 0.250 438 D C 1.375 177.727 176.300 0.087 0.000 1.264 438 D CA 0.413 54.509 54.000 0.160 0.000 0.911 438 D CB 0.957 41.841 40.800 0.139 0.000 1.056 438 D HN -0.022 nan 8.370 nan 0.000 0.499 439 Q N 1.543 121.390 119.800 0.078 0.000 2.364 439 Q HA -0.071 4.269 4.340 -0.000 0.000 0.207 439 Q C 1.658 177.676 176.000 0.030 0.000 0.970 439 Q CA 0.838 56.667 55.803 0.043 0.000 0.888 439 Q CB -0.241 28.523 28.738 0.043 0.000 0.951 439 Q HN 0.609 nan 8.270 nan 0.000 0.469 440 T N -3.555 111.020 114.554 0.035 0.000 3.129 440 T HA 0.173 4.523 4.350 -0.000 0.000 0.251 440 T C 0.777 175.484 174.700 0.012 0.000 1.117 440 T CA -0.188 61.925 62.100 0.020 0.000 1.034 440 T CB 0.142 69.022 68.868 0.019 0.000 0.968 440 T HN -0.146 nan 8.240 nan 0.000 0.526 441 V N 3.516 123.439 119.914 0.015 0.000 2.465 441 V HA 0.355 4.475 4.120 -0.000 0.000 0.279 441 V C -2.255 173.841 176.094 0.004 0.000 1.045 441 V CA -2.353 59.950 62.300 0.005 0.000 0.938 441 V CB 1.350 33.177 31.823 0.007 0.000 0.986 441 V HN 0.202 nan 8.190 nan 0.000 0.467 442 P HA -0.018 nan 4.420 nan 0.000 0.263 442 P C 0.635 177.933 177.300 -0.003 0.000 1.175 442 P CA 0.462 63.562 63.100 0.000 0.000 0.761 442 P CB 0.613 32.313 31.700 0.001 0.000 0.794 443 A N 5.106 127.923 122.820 -0.005 0.000 1.903 443 A HA -0.249 4.070 4.320 -0.000 0.000 0.219 443 A C 1.808 179.384 177.584 -0.012 0.000 1.191 443 A CA 1.961 53.991 52.037 -0.012 0.000 0.638 443 A CB -0.986 18.007 19.000 -0.013 0.000 0.823 443 A HN 0.673 nan 8.150 nan 0.000 0.451 444 E N 0.417 120.613 120.200 -0.007 0.000 2.478 444 E HA -0.067 4.283 4.350 -0.000 0.000 0.198 444 E C 1.342 177.940 176.600 -0.003 0.000 1.046 444 E CA 0.859 57.256 56.400 -0.005 0.000 0.870 444 E CB -0.389 29.311 29.700 0.000 0.000 0.818 444 E HN 0.675 nan 8.360 nan 0.000 0.527 445 L N 0.220 121.441 121.223 -0.003 0.000 2.693 445 L HA 0.269 4.609 4.340 -0.000 0.000 0.235 445 L C 0.862 177.727 176.870 -0.010 0.000 1.127 445 L CA -0.395 54.444 54.840 -0.003 0.000 0.914 445 L CB 0.159 42.219 42.059 0.002 0.000 1.193 445 L HN -0.169 nan 8.230 nan 0.000 0.502 446 R N 1.034 121.527 120.500 -0.011 0.000 2.449 446 R HA 0.254 4.594 4.340 -0.000 0.000 0.296 446 R C 1.114 177.408 176.300 -0.010 0.000 1.047 446 R CA 0.768 56.863 56.100 -0.010 0.000 1.018 446 R CB 0.214 30.502 30.300 -0.020 0.000 0.962 446 R HN 0.280 nan 8.270 nan 0.000 0.428 447 G N 2.032 110.828 108.800 -0.007 0.000 2.143 447 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.248 447 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.248 447 G C -0.174 174.695 174.900 -0.052 0.000 0.991 447 G CA 0.004 45.100 45.100 -0.006 0.000 0.689 447 G HN 0.423 nan 8.290 nan 0.000 0.522 448 K N -1.203 119.146 120.400 -0.085 0.000 2.340 448 K HA 0.584 4.904 4.320 -0.000 0.000 0.244 448 K C 0.847 177.372 176.600 -0.125 0.000 0.973 448 K CA -1.103 55.109 56.287 -0.125 0.000 0.828 448 K CB 0.792 33.267 32.500 -0.042 0.000 1.226 448 K HN -0.046 nan 8.250 nan 0.000 0.437 449 Y N 0.591 120.876 120.300 -0.026 0.000 2.165 449 Y HA -0.142 4.408 4.550 -0.000 0.000 0.286 449 Y C 2.025 177.882 175.900 -0.071 0.000 1.155 449 Y CA 1.237 59.289 58.100 -0.080 0.000 1.164 449 Y CB -0.682 37.761 38.460 -0.028 0.000 0.978 449 Y HN 0.358 nan 8.280 nan 0.000 0.513 450 L N -0.619 120.685 121.223 0.135 0.000 2.549 450 L HA -0.145 4.195 4.340 -0.000 0.000 0.229 450 L C 2.456 179.340 176.870 0.022 0.000 1.158 450 L CA 0.600 55.480 54.840 0.067 0.000 0.842 450 L CB -0.745 41.353 42.059 0.064 0.000 0.952 450 L HN 0.229 nan 8.230 nan 0.000 0.452 451 A N 0.082 122.904 122.820 0.005 0.000 2.019 451 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 451 A C 2.067 179.636 177.584 -0.026 0.000 1.164 451 A CA 1.034 53.062 52.037 -0.015 0.000 0.644 451 A CB -0.349 18.635 19.000 -0.026 0.000 0.805 451 A HN 0.294 nan 8.150 nan 0.000 0.449 452 L N 0.549 121.757 121.223 -0.026 0.000 2.450 452 L HA -0.097 4.243 4.340 -0.000 0.000 0.224 452 L C 2.462 179.315 176.870 -0.029 0.000 1.149 452 L CA 2.202 57.019 54.840 -0.038 0.000 0.816 452 L CB -1.689 40.343 42.059 -0.044 0.000 0.932 452 L HN 0.712 nan 8.230 nan 0.000 0.449 453 T N -4.011 110.534 114.554 -0.014 0.000 3.081 453 T HA 0.227 4.577 4.350 -0.000 0.000 0.250 453 T C 1.035 175.729 174.700 -0.011 0.000 1.100 453 T CA 0.282 62.377 62.100 -0.007 0.000 1.038 453 T CB 0.032 68.904 68.868 0.006 0.000 0.962 453 T HN 0.180 nan 8.240 nan 0.000 0.516 454 A N 1.975 124.785 122.820 -0.016 0.000 2.981 454 A HA 0.300 4.620 4.320 -0.000 0.000 0.280 454 A C 1.474 179.044 177.584 -0.024 0.000 1.743 454 A CA -0.560 51.468 52.037 -0.016 0.000 1.430 454 A CB -0.434 18.556 19.000 -0.016 0.000 1.085 454 A HN 0.577 nan 8.150 nan 0.000 0.597 455 Q N 0.982 120.770 119.800 -0.020 0.000 2.297 455 Q HA -0.207 4.133 4.340 -0.000 0.000 0.208 455 Q C 1.590 177.577 176.000 -0.022 0.000 0.981 455 Q CA 1.570 57.359 55.803 -0.023 0.000 0.876 455 Q CB 0.071 28.799 28.738 -0.018 0.000 0.921 455 Q HN 0.962 nan 8.270 nan 0.000 0.446 456 E N 0.909 121.099 120.200 -0.016 0.000 2.442 456 E HA -0.035 4.314 4.350 -0.000 0.000 0.195 456 E C 0.554 177.147 176.600 -0.013 0.000 1.030 456 E CA 0.375 56.768 56.400 -0.012 0.000 0.869 456 E CB 0.017 29.713 29.700 -0.007 0.000 0.857 456 E HN 0.151 nan 8.360 nan 0.000 0.505 457 S N 0.428 116.116 115.700 -0.020 0.000 2.593 457 S HA 0.148 4.618 4.470 -0.000 0.000 0.269 457 S C 0.777 175.360 174.600 -0.028 0.000 1.334 457 S CA -0.111 58.077 58.200 -0.021 0.000 1.015 457 S CB 0.878 64.060 63.200 -0.030 0.000 0.912 457 S HN 0.204 nan 8.310 nan 0.000 0.541 458 N N 0.624 119.318 118.700 -0.010 0.000 2.120 458 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 458 N C 1.878 177.342 175.510 -0.077 0.000 1.024 458 N CA 1.251 54.306 53.050 0.008 0.000 0.852 458 N CB -0.256 38.270 38.487 0.066 0.000 1.003 458 N HN 0.574 nan 8.380 nan 0.000 0.424 459 M N 1.302 120.777 119.600 -0.209 0.000 2.067 459 M HA -0.120 4.360 4.480 -0.000 0.000 0.260 459 M C 1.886 177.976 176.300 -0.350 0.000 1.069 459 M CA 1.581 56.520 55.300 -0.601 0.000 1.117 459 M CB -0.443 31.842 32.600 -0.525 0.000 1.334 459 M HN -0.023 nan 8.290 nan 0.000 0.407 460 V N 0.880 120.682 119.914 -0.186 0.000 2.343 460 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 460 V C 2.360 178.399 176.094 -0.091 0.000 1.051 460 V CA 1.779 64.005 62.300 -0.123 0.000 1.036 460 V CB -0.918 30.857 31.823 -0.080 0.000 0.654 460 V HN 0.551 nan 8.190 nan 0.000 0.451 461 Q N -0.799 118.964 119.800 -0.063 0.000 2.124 461 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 461 Q C 2.217 178.197 176.000 -0.033 0.000 0.977 461 Q CA 1.992 57.772 55.803 -0.038 0.000 0.850 461 Q CB -0.277 28.452 28.738 -0.015 0.000 0.901 461 Q HN 0.795 nan 8.270 nan 0.000 0.429 462 H N 0.737 119.730 119.070 -0.127 0.000 2.321 462 H HA -0.065 4.491 4.556 -0.000 0.000 0.300 462 H C 1.836 177.083 175.328 -0.136 0.000 1.087 462 H CA 1.516 57.499 56.048 -0.107 0.000 1.319 462 H CB -0.081 29.618 29.762 -0.105 0.000 1.379 462 H HN 0.101 nan 8.280 nan 0.000 0.501 463 L N 0.228 121.371 121.223 -0.133 0.000 2.083 463 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 463 L C 2.636 179.404 176.870 -0.169 0.000 1.083 463 L CA 1.642 56.369 54.840 -0.189 0.000 0.752 463 L CB -0.456 41.517 42.059 -0.143 0.000 0.899 463 L HN 0.320 nan 8.230 nan 0.000 0.433 464 K N 0.262 120.587 120.400 -0.124 0.000 2.063 464 K HA -0.284 4.035 4.320 -0.000 0.000 0.208 464 K C 2.221 178.759 176.600 -0.103 0.000 1.048 464 K CA 1.765 57.996 56.287 -0.093 0.000 0.928 464 K CB 0.020 32.479 32.500 -0.069 0.000 0.713 464 K HN 0.089 nan 8.250 nan 0.000 0.442 465 Q N 0.884 120.603 119.800 -0.134 0.000 2.119 465 Q HA -0.052 4.288 4.340 -0.000 0.000 0.201 465 Q C 1.936 177.847 176.000 -0.149 0.000 0.972 465 Q CA 1.335 57.059 55.803 -0.132 0.000 0.847 465 Q CB -0.099 28.551 28.738 -0.146 0.000 0.903 465 Q HN 0.406 nan 8.270 nan 0.000 0.433 466 L N -0.355 120.731 121.223 -0.228 0.000 2.046 466 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 466 L C 2.537 179.346 176.870 -0.101 0.000 1.077 466 L CA 1.447 56.173 54.840 -0.189 0.000 0.747 466 L CB -0.755 41.114 42.059 -0.317 0.000 0.896 466 L HN 0.288 nan 8.230 nan 0.000 0.432 467 S N -0.141 115.500 115.700 -0.100 0.000 2.356 467 S HA -0.203 4.267 4.470 -0.000 0.000 0.223 467 S C 2.136 176.729 174.600 -0.010 0.000 1.032 467 S CA 1.301 59.478 58.200 -0.039 0.000 1.005 467 S CB -0.130 63.053 63.200 -0.028 0.000 0.867 467 S HN 0.430 nan 8.310 nan 0.000 0.449 468 A N 0.472 123.274 122.820 -0.031 0.000 1.972 468 A HA -0.003 4.317 4.320 -0.000 0.000 0.219 468 A C 2.274 179.851 177.584 -0.013 0.000 1.169 468 A CA 1.966 53.991 52.037 -0.020 0.000 0.635 468 A CB -0.783 18.198 19.000 -0.032 0.000 0.810 468 A HN 0.584 nan 8.150 nan 0.000 0.446 469 S N -2.076 113.611 115.700 -0.021 0.000 2.558 469 S HA 0.366 4.836 4.470 -0.000 0.000 0.217 469 S C 1.309 175.902 174.600 -0.013 0.000 0.975 469 S CA 0.821 59.013 58.200 -0.013 0.000 0.912 469 S CB 0.360 63.556 63.200 -0.007 0.000 0.776 469 S HN 1.425 nan 8.310 nan 0.000 0.526 470 G N 0.400 109.197 108.800 -0.005 0.000 2.425 470 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.177 470 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.177 470 G C -0.023 174.863 174.900 -0.023 0.000 0.999 470 G CA -0.497 44.595 45.100 -0.014 0.000 0.723 470 G HN 0.295 nan 8.290 nan 0.000 0.491 471 V N 2.601 122.508 119.914 -0.012 0.000 2.508 471 V HA 0.457 4.576 4.120 -0.000 0.000 0.281 471 V C 1.729 177.786 176.094 -0.061 0.000 1.041 471 V CA 1.315 63.609 62.300 -0.011 0.000 1.016 471 V CB 1.211 33.026 31.823 -0.014 0.000 0.984 471 V HN 0.635 nan 8.190 nan 0.000 0.478 472 T N 0.780 115.265 114.554 -0.114 0.000 2.990 472 T HA 0.204 4.553 4.350 -0.000 0.000 0.249 472 T C 0.420 174.989 174.700 -0.219 0.000 1.039 472 T CA 0.204 62.069 62.100 -0.391 0.000 1.036 472 T CB 0.091 68.568 68.868 -0.651 0.000 0.994 472 T HN 0.626 nan 8.240 nan 0.000 0.489 473 H N -0.035 118.942 119.070 -0.156 0.000 2.717 473 H HA 0.641 5.197 4.556 -0.000 0.000 0.366 473 H C -1.012 174.321 175.328 0.009 0.000 1.132 473 H CA -1.271 54.744 56.048 -0.054 0.000 1.180 473 H CB 1.288 31.032 29.762 -0.030 0.000 1.678 473 H HN 0.084 nan 8.280 nan 0.000 0.537 474 I N 1.922 122.564 120.570 0.120 0.000 2.339 474 I HA 0.186 4.355 4.170 -0.000 0.000 0.290 474 I C 0.175 176.358 176.117 0.109 0.000 0.994 474 I CA -0.373 60.988 61.300 0.102 0.000 1.191 474 I CB 1.285 39.310 38.000 0.043 0.000 1.343 474 I HN 0.669 nan 8.210 nan 0.000 0.458 475 E N 7.210 127.476 120.200 0.109 0.000 2.151 475 E HA 0.484 4.834 4.350 -0.000 0.000 0.275 475 E C -1.395 175.236 176.600 0.051 0.000 0.936 475 E CA -0.617 55.861 56.400 0.130 0.000 0.777 475 E CB 1.287 31.137 29.700 0.251 0.000 1.108 475 E HN 0.478 nan 8.360 nan 0.000 0.401 476 L N 5.190 126.417 121.223 0.007 0.000 2.275 476 L HA 0.292 4.632 4.340 -0.000 0.000 0.288 476 L C -0.095 176.713 176.870 -0.102 0.000 1.046 476 L CA -0.917 53.888 54.840 -0.059 0.000 0.805 476 L CB 0.742 42.752 42.059 -0.081 0.000 1.193 476 L HN 0.530 nan 8.230 nan 0.000 0.426 477 L N 5.725 126.861 121.223 -0.145 0.000 2.482 477 L HA 0.147 4.487 4.340 -0.000 0.000 0.273 477 L C -1.830 174.848 176.870 -0.320 0.000 1.228 477 L CA -0.821 53.873 54.840 -0.242 0.000 0.827 477 L CB -0.383 41.568 42.059 -0.180 0.000 1.099 477 L HN 0.382 nan 8.230 nan 0.000 0.494 478 P HA -0.162 nan 4.420 nan 0.000 0.247 478 P C 0.075 177.029 177.300 -0.576 0.000 1.103 478 P CA 0.792 63.445 63.100 -0.746 0.000 0.797 478 P CB -0.123 30.974 31.700 -1.006 0.000 0.710 479 V N 1.333 120.981 119.914 -0.444 0.000 3.380 479 V HA 0.262 4.382 4.120 -0.000 0.000 0.307 479 V C 0.426 176.440 176.094 -0.134 0.000 1.434 479 V CA -0.237 62.028 62.300 -0.058 0.000 1.075 479 V CB -1.256 30.735 31.823 0.279 0.000 0.954 479 V HN 0.185 nan 8.190 nan 0.000 0.444 480 F N -0.171 119.704 119.950 -0.126 0.000 2.348 480 F HA 0.722 5.249 4.527 -0.000 0.000 0.308 480 F C 0.410 176.227 175.800 0.029 0.000 1.175 480 F CA -1.486 56.495 58.000 -0.032 0.000 1.080 480 F CB -0.231 38.736 39.000 -0.054 0.000 1.341 480 F HN -0.041 nan 8.300 nan 0.000 0.518 481 D N 1.632 122.233 120.400 0.335 0.000 2.357 481 D HA 0.223 4.863 4.640 -0.000 0.000 0.265 481 D C -0.493 175.935 176.300 0.213 0.000 1.334 481 D CA -0.056 54.054 54.000 0.183 0.000 0.984 481 D CB -0.291 40.622 40.800 0.189 0.000 1.077 481 D HN 0.622 nan 8.370 nan 0.000 0.514 482 L N 1.107 122.323 121.223 -0.012 0.000 2.439 482 L HA 0.718 5.058 4.340 -0.000 0.000 0.259 482 L C 1.011 177.950 176.870 0.116 0.000 1.129 482 L CA -0.513 54.334 54.840 0.012 0.000 0.803 482 L CB 1.078 43.033 42.059 -0.173 0.000 1.161 482 L HN 0.160 nan 8.230 nan 0.000 0.462 483 A N -0.357 122.512 122.820 0.080 0.000 2.229 483 A HA 0.103 4.423 4.320 -0.000 0.000 0.211 483 A C 1.651 179.226 177.584 -0.016 0.000 1.193 483 A CA 0.609 52.662 52.037 0.026 0.000 0.879 483 A CB -0.644 18.184 19.000 -0.287 0.000 0.911 483 A HN 0.905 nan 8.150 nan 0.000 0.492 484 T N -1.773 112.778 114.554 -0.005 0.000 3.361 484 T HA 0.355 4.705 4.350 -0.000 0.000 0.251 484 T C 0.022 174.716 174.700 -0.011 0.000 1.131 484 T CA 0.121 62.223 62.100 0.003 0.000 1.001 484 T CB -0.512 68.387 68.868 0.053 0.000 1.003 484 T HN 0.001 nan 8.240 nan 0.000 0.558 485 V N 2.075 121.968 119.914 -0.035 0.000 2.623 485 V HA 0.388 4.508 4.120 -0.000 0.000 0.304 485 V C -0.508 175.561 176.094 -0.041 0.000 1.054 485 V CA -1.386 60.881 62.300 -0.055 0.000 0.882 485 V CB 1.849 33.596 31.823 -0.127 0.000 1.002 485 V HN 0.345 nan 8.190 nan 0.000 0.424 486 N N 3.205 121.898 118.700 -0.013 0.000 2.475 486 N HA 0.125 4.865 4.740 -0.000 0.000 0.267 486 N C 0.853 176.347 175.510 -0.025 0.000 1.169 486 N CA 0.201 53.266 53.050 0.024 0.000 0.947 486 N CB 1.386 39.915 38.487 0.070 0.000 1.061 486 N HN 0.731 nan 8.380 nan 0.000 0.466 487 E N 2.324 122.469 120.200 -0.092 0.000 2.481 487 E HA -0.010 4.340 4.350 -0.000 0.000 0.195 487 E C -0.329 176.121 176.600 -0.251 0.000 1.047 487 E CA 0.267 56.542 56.400 -0.209 0.000 0.867 487 E CB 0.131 29.656 29.700 -0.292 0.000 0.858 487 E HN 0.512 nan 8.360 nan 0.000 0.513 488 F N 1.050 120.979 119.950 -0.035 0.000 2.404 488 F HA 0.077 4.604 4.527 -0.000 0.000 0.359 488 F C 1.505 177.285 175.800 -0.033 0.000 1.134 488 F CA -0.341 57.640 58.000 -0.032 0.000 1.160 488 F CB 1.151 40.134 39.000 -0.028 0.000 1.186 488 F HN -0.129 nan 8.300 nan 0.000 0.526 489 S N 1.231 116.993 115.700 0.105 0.000 2.402 489 S HA -0.254 4.216 4.470 -0.000 0.000 0.233 489 S C 1.798 176.430 174.600 0.053 0.000 1.030 489 S CA 1.741 59.972 58.200 0.051 0.000 1.003 489 S CB -0.280 62.935 63.200 0.024 0.000 0.813 489 S HN 0.804 nan 8.310 nan 0.000 0.477 490 D N 0.883 121.328 120.400 0.076 0.000 2.310 490 D HA -0.096 4.544 4.640 -0.000 0.000 0.212 490 D C 1.173 177.486 176.300 0.023 0.000 0.965 490 D CA 0.739 54.761 54.000 0.037 0.000 0.879 490 D CB -0.164 40.651 40.800 0.025 0.000 0.921 490 D HN 0.211 nan 8.370 nan 0.000 0.510 491 K N 0.268 120.698 120.400 0.049 0.000 2.374 491 K HA 0.221 4.541 4.320 -0.000 0.000 0.196 491 K C -0.023 176.586 176.600 0.015 0.000 1.023 491 K CA -0.149 56.155 56.287 0.028 0.000 1.103 491 K CB 1.459 33.992 32.500 0.055 0.000 0.848 491 K HN 0.129 nan 8.250 nan 0.000 0.528 492 V N 0.755 120.675 119.914 0.010 0.000 2.715 492 V HA 0.696 4.816 4.120 -0.000 0.000 0.310 492 V C -0.623 175.453 176.094 -0.030 0.000 1.054 492 V CA -1.266 61.028 62.300 -0.010 0.000 0.928 492 V CB 1.858 33.678 31.823 -0.006 0.000 1.007 492 V HN 0.133 nan 8.190 nan 0.000 0.437 493 A N 2.551 125.341 122.820 -0.050 0.000 2.381 493 A HA 0.761 5.081 4.320 -0.000 0.000 0.299 493 A C -1.115 176.419 177.584 -0.084 0.000 1.049 493 A CA -0.619 51.373 52.037 -0.075 0.000 0.715 493 A CB 1.138 20.073 19.000 -0.109 0.000 1.222 493 A HN 0.754 nan 8.150 nan 0.000 0.428 494 D N 1.505 121.855 120.400 -0.083 0.000 2.340 494 D HA 0.346 4.986 4.640 -0.000 0.000 0.243 494 D C 1.683 177.913 176.300 -0.118 0.000 0.988 494 D CA -0.335 53.613 54.000 -0.086 0.000 0.959 494 D CB 1.620 42.378 40.800 -0.071 0.000 1.226 494 D HN 0.557 nan 8.370 nan 0.000 0.509 495 I N -1.395 119.102 120.570 -0.123 0.000 2.567 495 I HA -0.262 3.907 4.170 -0.000 0.000 0.257 495 I C 1.144 177.185 176.117 -0.128 0.000 1.184 495 I CA 1.257 62.481 61.300 -0.128 0.000 1.451 495 I CB -0.213 37.742 38.000 -0.075 0.000 1.089 495 I HN 0.094 nan 8.210 nan 0.000 0.441 496 Q N 1.131 120.836 119.800 -0.158 0.000 2.472 496 Q HA 0.129 4.469 4.340 -0.000 0.000 0.208 496 Q C 0.296 176.246 176.000 -0.084 0.000 0.958 496 Q CA 0.611 56.329 55.803 -0.142 0.000 0.932 496 Q CB -0.031 28.598 28.738 -0.181 0.000 1.007 496 Q HN 0.694 nan 8.270 nan 0.000 0.508 497 Q N 0.167 119.920 119.800 -0.079 0.000 2.193 497 Q HA 0.364 4.703 4.340 -0.000 0.000 0.246 497 Q C -2.386 173.594 176.000 -0.034 0.000 0.959 497 Q CA -2.492 53.279 55.803 -0.053 0.000 0.904 497 Q CB 0.561 29.264 28.738 -0.059 0.000 1.238 497 Q HN -0.079 nan 8.270 nan 0.000 0.469 498 P HA -0.115 nan 4.420 nan 0.000 0.265 498 P C -0.465 176.867 177.300 0.052 0.000 1.187 498 P CA 0.434 63.560 63.100 0.043 0.000 0.766 498 P CB 0.317 32.043 31.700 0.043 0.000 0.820 499 F N 2.538 122.480 119.950 -0.013 0.000 2.216 499 F HA -0.233 4.294 4.527 -0.000 0.000 0.300 499 F C 2.233 178.039 175.800 0.009 0.000 1.085 499 F CA 2.037 60.030 58.000 -0.011 0.000 1.326 499 F CB -0.175 38.837 39.000 0.021 0.000 1.027 499 F HN 0.295 nan 8.300 nan 0.000 0.497 500 S N 0.045 115.880 115.700 0.225 0.000 2.383 500 S HA -0.279 4.191 4.470 -0.000 0.000 0.229 500 S C 2.205 176.837 174.600 0.054 0.000 1.030 500 S CA 1.196 59.484 58.200 0.147 0.000 1.002 500 S CB -0.746 62.516 63.200 0.102 0.000 0.829 500 S HN 0.520 nan 8.310 nan 0.000 0.467 501 R N 0.610 121.115 120.500 0.009 0.000 2.075 501 R HA -0.026 4.314 4.340 -0.000 0.000 0.232 501 R C 2.418 178.674 176.300 -0.074 0.000 1.126 501 R CA 1.421 57.504 56.100 -0.029 0.000 0.963 501 R CB -0.540 29.737 30.300 -0.038 0.000 0.858 501 R HN 0.469 nan 8.270 nan 0.000 0.435 502 L N 0.881 122.008 121.223 -0.160 0.000 2.012 502 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 502 L C 2.172 178.944 176.870 -0.163 0.000 1.073 502 L CA 1.825 56.514 54.840 -0.252 0.000 0.748 502 L CB -0.721 40.999 42.059 -0.564 0.000 0.891 502 L HN 0.286 nan 8.230 nan 0.000 0.431 503 c N 0.521 119.070 118.600 -0.085 0.000 2.425 503 c HA -0.124 4.446 4.570 -0.000 0.000 0.277 503 c C 2.607 176.704 174.090 0.011 0.000 1.280 503 c CA 0.888 57.228 56.329 0.020 0.000 1.744 503 c CB -1.272 41.318 42.510 0.134 0.000 1.989 503 c HN 0.743 nan 8.230 nan 0.000 0.491 504 E N 1.665 121.866 120.200 0.001 0.000 2.208 504 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 504 E C 1.773 178.364 176.600 -0.015 0.000 0.988 504 E CA 1.766 58.165 56.400 -0.001 0.000 0.828 504 E CB -0.307 29.394 29.700 0.000 0.000 0.763 504 E HN 0.610 nan 8.360 nan 0.000 0.478 505 V N -1.775 118.121 119.914 -0.030 0.000 3.644 505 V HA 0.181 4.301 4.120 -0.000 0.000 0.267 505 V C 0.554 176.628 176.094 -0.034 0.000 1.277 505 V CA -0.065 62.217 62.300 -0.032 0.000 1.096 505 V CB 0.034 31.835 31.823 -0.036 0.000 0.828 505 V HN 0.115 nan 8.190 nan 0.000 0.446 506 N N 1.389 120.066 118.700 -0.039 0.000 2.573 506 N HA 0.233 4.973 4.740 -0.000 0.000 0.262 506 N C 1.017 176.522 175.510 -0.009 0.000 1.029 506 N CA 0.718 53.748 53.050 -0.034 0.000 0.882 506 N CB 2.016 40.465 38.487 -0.064 0.000 1.204 506 N HN 0.444 nan 8.380 nan 0.000 0.519 507 S N 1.933 117.633 115.700 -0.001 0.000 2.447 507 S HA -0.083 4.387 4.470 -0.000 0.000 0.233 507 S C 1.826 176.442 174.600 0.025 0.000 1.006 507 S CA 0.816 59.024 58.200 0.013 0.000 0.957 507 S CB -0.012 63.192 63.200 0.007 0.000 0.773 507 S HN 0.486 nan 8.310 nan 0.000 0.507 508 A N 1.452 124.285 122.820 0.021 0.000 1.930 508 A HA 0.128 4.448 4.320 -0.000 0.000 0.217 508 A C 2.343 179.968 177.584 0.069 0.000 1.175 508 A CA 1.408 53.466 52.037 0.036 0.000 0.627 508 A CB -0.913 18.102 19.000 0.025 0.000 0.815 508 A HN 0.436 nan 8.150 nan 0.000 0.443 509 V N -0.011 119.943 119.914 0.066 0.000 2.379 509 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 509 V C 2.445 178.645 176.094 0.176 0.000 1.044 509 V CA 2.206 64.585 62.300 0.131 0.000 1.036 509 V CB -0.547 31.302 31.823 0.042 0.000 0.664 509 V HN 0.625 nan 8.190 nan 0.000 0.453 510 K N 0.637 121.108 120.400 0.119 0.000 2.280 510 K HA -0.125 4.194 4.320 -0.000 0.000 0.202 510 K C 1.837 178.492 176.600 0.092 0.000 1.047 510 K CA 1.476 57.833 56.287 0.117 0.000 0.942 510 K CB -0.056 32.489 32.500 0.076 0.000 0.739 510 K HN 0.637 nan 8.250 nan 0.000 0.457 511 S N -0.854 114.892 115.700 0.077 0.000 2.554 511 S HA 0.066 4.536 4.470 -0.000 0.000 0.226 511 S C 0.494 175.125 174.600 0.051 0.000 0.980 511 S CA -0.392 57.839 58.200 0.052 0.000 0.939 511 S CB 0.273 63.493 63.200 0.034 0.000 0.832 511 S HN 0.225 nan 8.310 nan 0.000 0.486 512 S N 1.788 117.542 115.700 0.089 0.000 2.694 512 S HA 0.303 4.773 4.470 -0.000 0.000 0.278 512 S C 1.022 175.619 174.600 -0.006 0.000 1.152 512 S CA -0.243 58.000 58.200 0.072 0.000 1.010 512 S CB 0.624 63.944 63.200 0.201 0.000 1.104 512 S HN 0.495 nan 8.310 nan 0.000 0.547 513 E N -0.293 119.800 120.200 -0.178 0.000 2.472 513 E HA -0.068 4.281 4.350 -0.000 0.000 0.200 513 E C 0.427 176.809 176.600 -0.364 0.000 1.046 513 E CA 0.781 56.983 56.400 -0.330 0.000 0.871 513 E CB -0.617 28.778 29.700 -0.509 0.000 0.806 513 E HN 0.727 nan 8.360 nan 0.000 0.533 514 F N 0.519 120.548 119.950 0.132 0.000 2.727 514 F HA 0.406 4.933 4.527 -0.000 0.000 0.302 514 F C 2.231 178.157 175.800 0.210 0.000 1.097 514 F CA -0.021 58.114 58.000 0.224 0.000 1.330 514 F CB 0.403 39.572 39.000 0.281 0.000 1.084 514 F HN 0.078 nan 8.300 nan 0.000 0.578 515 A N 0.671 123.637 122.820 0.243 0.000 2.032 515 A HA -0.140 4.179 4.320 -0.000 0.000 0.221 515 A C 2.540 180.172 177.584 0.080 0.000 1.165 515 A CA 1.764 53.909 52.037 0.181 0.000 0.645 515 A CB -1.367 17.692 19.000 0.098 0.000 0.807 515 A HN 0.432 nan 8.150 nan 0.000 0.453 516 G N -2.193 106.596 108.800 -0.018 0.000 2.498 516 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.219 516 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.219 516 G C 1.229 175.953 174.900 -0.294 0.000 1.119 516 G CA 1.023 46.021 45.100 -0.169 0.000 0.766 516 G HN 0.637 nan 8.290 nan 0.000 0.552 517 Y N -0.435 119.691 120.300 -0.289 0.000 2.523 517 Y HA 0.066 4.616 4.550 -0.000 0.000 0.279 517 Y C 2.775 178.446 175.900 -0.382 0.000 1.139 517 Y CA -0.335 57.412 58.100 -0.588 0.000 1.296 517 Y CB -0.144 37.439 38.460 -1.462 0.000 1.045 517 Y HN 0.182 nan 8.280 nan 0.000 0.538 518 c N -0.137 118.507 118.600 0.072 0.000 2.398 518 c HA -0.234 4.335 4.570 -0.000 0.000 0.276 518 c C 1.942 176.122 174.090 0.150 0.000 1.222 518 c CA 1.638 58.122 56.329 0.258 0.000 1.746 518 c CB -0.594 42.039 42.510 0.204 0.000 2.039 518 c HN 0.464 nan 8.230 nan 0.000 0.470 519 D N 0.526 120.961 120.400 0.057 0.000 2.460 519 D HA 0.108 4.747 4.640 -0.000 0.000 0.229 519 D C 0.749 177.059 176.300 0.015 0.000 1.170 519 D CA 0.044 54.066 54.000 0.037 0.000 0.827 519 D CB -0.005 40.804 40.800 0.014 0.000 0.973 519 D HN 0.607 nan 8.370 nan 0.000 0.496 520 S N -2.349 113.361 115.700 0.017 0.000 2.686 520 S HA 0.542 5.011 4.470 -0.000 0.000 0.270 520 S C 1.272 175.902 174.600 0.049 0.000 1.194 520 S CA -0.188 58.016 58.200 0.006 0.000 0.990 520 S CB 1.656 64.852 63.200 -0.007 0.000 1.029 520 S HN 0.031 nan 8.310 nan 0.000 0.560 521 G N -0.026 108.800 108.800 0.044 0.000 3.502 521 G HA2 0.374 4.334 3.960 -0.000 0.000 0.267 521 G HA3 0.374 4.334 3.960 -0.000 0.000 0.267 521 G C -0.080 174.859 174.900 0.065 0.000 1.090 521 G CA -0.444 44.686 45.100 0.050 0.000 0.795 521 G HN 0.590 nan 8.290 nan 0.000 0.535 522 S N 0.460 116.213 115.700 0.090 0.000 2.616 522 S HA 0.541 5.010 4.470 -0.000 0.000 0.277 522 S C 0.646 175.324 174.600 0.130 0.000 1.234 522 S CA -0.454 57.804 58.200 0.097 0.000 1.028 522 S CB 1.471 64.732 63.200 0.101 0.000 0.988 522 S HN 0.456 nan 8.310 nan 0.000 0.522 523 T N -1.102 113.507 114.554 0.091 0.000 2.874 523 T HA 0.349 4.699 4.350 -0.000 0.000 0.281 523 T C 1.404 176.159 174.700 0.091 0.000 0.994 523 T CA -0.870 61.274 62.100 0.073 0.000 1.015 523 T CB 0.554 69.436 68.868 0.024 0.000 1.028 523 T HN 0.176 nan 8.240 nan 0.000 0.523 524 V N 1.035 120.967 119.914 0.031 0.000 2.332 524 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 524 V C 2.811 178.859 176.094 -0.076 0.000 1.055 524 V CA 2.343 64.626 62.300 -0.028 0.000 1.038 524 V CB -1.058 30.639 31.823 -0.211 0.000 0.651 524 V HN 1.086 nan 8.190 nan 0.000 0.450 525 E N 0.106 120.284 120.200 -0.037 0.000 2.150 525 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 525 E C 2.107 178.738 176.600 0.052 0.000 0.985 525 E CA 1.318 57.746 56.400 0.046 0.000 0.814 525 E CB -0.036 29.754 29.700 0.151 0.000 0.752 525 E HN 0.734 nan 8.360 nan 0.000 0.466 526 E N -0.097 120.123 120.200 0.033 0.000 2.106 526 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 526 E C 2.165 178.747 176.600 -0.030 0.000 0.984 526 E CA 1.092 57.513 56.400 0.035 0.000 0.806 526 E CB 0.219 29.944 29.700 0.043 0.000 0.750 526 E HN 0.155 nan 8.360 nan 0.000 0.458 527 V N 1.417 121.270 119.914 -0.101 0.000 2.323 527 V HA -0.225 3.894 4.120 -0.000 0.000 0.244 527 V C 2.290 178.199 176.094 -0.309 0.000 1.041 527 V CA 1.321 63.465 62.300 -0.260 0.000 1.025 527 V CB -0.377 31.168 31.823 -0.464 0.000 0.656 527 V HN 0.244 nan 8.190 nan 0.000 0.451 528 L N -0.250 120.738 121.223 -0.392 0.000 2.079 528 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 528 L C 2.631 179.236 176.870 -0.441 0.000 1.081 528 L CA 1.963 56.410 54.840 -0.655 0.000 0.752 528 L CB -0.934 40.372 42.059 -1.255 0.000 0.896 528 L HN 0.354 nan 8.230 nan 0.000 0.433 529 T N -1.353 113.113 114.554 -0.145 0.000 2.746 529 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 529 T C 1.909 176.631 174.700 0.036 0.000 1.039 529 T CA 1.031 63.200 62.100 0.115 0.000 1.142 529 T CB -0.100 68.879 68.868 0.186 0.000 0.866 529 T HN 0.267 nan 8.240 nan 0.000 0.444 530 Q N 0.616 120.409 119.800 -0.011 0.000 2.224 530 Q HA 0.133 4.473 4.340 -0.000 0.000 0.203 530 Q C 2.265 178.265 176.000 -0.001 0.000 0.970 530 Q CA 0.770 56.578 55.803 0.007 0.000 0.865 530 Q CB -0.435 28.317 28.738 0.023 0.000 0.922 530 Q HN 0.512 nan 8.270 nan 0.000 0.445 531 L N 0.169 121.359 121.223 -0.054 0.000 2.478 531 L HA -0.090 4.250 4.340 -0.000 0.000 0.223 531 L C 2.067 178.929 176.870 -0.014 0.000 1.140 531 L CA 0.498 55.316 54.840 -0.037 0.000 0.842 531 L CB -0.157 41.841 42.059 -0.102 0.000 0.953 531 L HN 0.120 nan 8.230 nan 0.000 0.452 532 K N 0.152 120.552 120.400 0.000 0.000 2.026 532 K HA -0.260 4.060 4.320 -0.000 0.000 0.208 532 K C 2.097 178.716 176.600 0.032 0.000 1.048 532 K CA 1.484 57.794 56.287 0.037 0.000 0.929 532 K CB -0.141 32.410 32.500 0.085 0.000 0.713 532 K HN 0.267 nan 8.250 nan 0.000 0.439 533 Q N 1.056 120.874 119.800 0.030 0.000 2.096 533 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 533 Q C 1.397 177.410 176.000 0.023 0.000 0.982 533 Q CA 1.748 57.567 55.803 0.026 0.000 0.850 533 Q CB -0.017 28.737 28.738 0.026 0.000 0.901 533 Q HN 0.136 nan 8.270 nan 0.000 0.422 534 N N 0.791 119.506 118.700 0.025 0.000 2.268 534 N HA -0.025 4.715 4.740 -0.000 0.000 0.204 534 N C -1.056 174.466 175.510 0.021 0.000 1.124 534 N CA -0.019 53.045 53.050 0.024 0.000 0.838 534 N CB 0.262 38.767 38.487 0.030 0.000 0.994 534 N HN 0.234 nan 8.380 nan 0.000 0.489 535 D N 0.134 120.544 120.400 0.017 0.000 2.304 535 D HA 0.207 4.847 4.640 -0.000 0.000 0.250 535 D C -0.568 175.724 176.300 -0.014 0.000 1.107 535 D CA 0.269 54.274 54.000 0.009 0.000 0.885 535 D CB 0.940 41.748 40.800 0.015 0.000 1.192 535 D HN 0.349 nan 8.370 nan 0.000 0.436 536 S N 1.435 117.111 115.700 -0.040 0.000 2.655 536 S HA 0.175 4.645 4.470 -0.000 0.000 0.266 536 S C 0.786 175.301 174.600 -0.142 0.000 1.149 536 S CA -0.656 57.498 58.200 -0.076 0.000 0.818 536 S CB 1.119 64.299 63.200 -0.033 0.000 1.130 536 S HN 0.513 nan 8.310 nan 0.000 0.476 537 K N 0.053 120.355 120.400 -0.164 0.000 2.209 537 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 537 K C 0.468 177.093 176.600 0.041 0.000 1.048 537 K CA 1.827 58.014 56.287 -0.167 0.000 0.940 537 K CB -0.507 31.975 32.500 -0.030 0.000 0.729 537 K HN 0.523 nan 8.250 nan 0.000 0.451 538 D N 0.399 120.815 120.400 0.026 0.000 2.348 538 D HA -0.037 4.602 4.640 -0.000 0.000 0.211 538 D C -0.086 176.244 176.300 0.050 0.000 0.998 538 D CA 0.614 54.645 54.000 0.052 0.000 0.873 538 D CB 0.104 40.924 40.800 0.034 0.000 0.925 538 D HN 0.241 nan 8.370 nan 0.000 0.524 539 N N 0.477 119.197 118.700 0.033 0.000 2.716 539 N HA 0.082 4.821 4.740 -0.000 0.000 0.245 539 N C -2.788 172.747 175.510 0.041 0.000 1.495 539 N CA -1.193 51.883 53.050 0.043 0.000 0.759 539 N CB 1.212 39.719 38.487 0.034 0.000 1.261 539 N HN -0.236 nan 8.380 nan 0.000 0.515 540 P HA 0.063 nan 4.420 nan 0.000 0.226 540 P C 0.220 177.585 177.300 0.109 0.000 1.783 540 P CA -0.007 63.128 63.100 0.059 0.000 0.980 540 P CB -0.065 31.715 31.700 0.133 0.000 1.967 541 Q N -0.584 119.278 119.800 0.102 0.000 2.230 541 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 541 Q C 1.387 177.431 176.000 0.073 0.000 0.963 541 Q CA 0.882 56.783 55.803 0.163 0.000 0.866 541 Q CB -0.839 28.007 28.738 0.180 0.000 0.931 541 Q HN 0.069 nan 8.270 nan 0.000 0.452 542 V N 2.313 122.228 119.914 0.002 0.000 2.261 542 V HA -0.329 3.790 4.120 -0.000 0.000 0.246 542 V C 2.583 178.642 176.094 -0.057 0.000 1.047 542 V CA 2.406 64.629 62.300 -0.128 0.000 1.015 542 V CB -0.835 30.932 31.823 -0.093 0.000 0.642 542 V HN 0.582 nan 8.190 nan 0.000 0.446 543 Q N 1.437 121.319 119.800 0.138 0.000 2.167 543 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 543 Q C 1.957 178.003 176.000 0.077 0.000 0.970 543 Q CA 2.050 57.957 55.803 0.174 0.000 0.855 543 Q CB -0.866 27.958 28.738 0.144 0.000 0.911 543 Q HN 0.472 nan 8.270 nan 0.000 0.438 544 A N 1.061 123.943 122.820 0.102 0.000 1.883 544 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 544 A C 2.089 179.729 177.584 0.093 0.000 1.186 544 A CA 1.658 53.795 52.037 0.168 0.000 0.624 544 A CB -0.830 18.361 19.000 0.318 0.000 0.822 544 A HN 0.447 nan 8.150 nan 0.000 0.444 545 L N 0.171 121.272 121.223 -0.202 0.000 2.072 545 L HA -0.063 4.277 4.340 -0.000 0.000 0.205 545 L C 1.902 178.582 176.870 -0.316 0.000 1.079 545 L CA 2.529 57.003 54.840 -0.611 0.000 0.752 545 L CB -0.975 40.429 42.059 -1.092 0.000 0.906 545 L HN 0.432 nan 8.230 nan 0.000 0.436 546 N N -1.085 117.479 118.700 -0.227 0.000 2.166 546 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 546 N C 1.650 177.119 175.510 -0.068 0.000 1.019 546 N CA 1.816 54.788 53.050 -0.130 0.000 0.856 546 N CB -0.204 38.295 38.487 0.020 0.000 0.993 546 N HN 0.420 nan 8.380 nan 0.000 0.426 547 T N 0.506 115.038 114.554 -0.037 0.000 2.803 547 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 547 T C 1.741 176.416 174.700 -0.043 0.000 1.052 547 T CA 0.931 63.010 62.100 -0.035 0.000 1.136 547 T CB -0.149 68.716 68.868 -0.006 0.000 0.864 547 T HN 0.211 nan 8.240 nan 0.000 0.467 548 L N 0.334 121.530 121.223 -0.044 0.000 2.131 548 L HA 0.011 4.351 4.340 -0.000 0.000 0.206 548 L C 2.627 179.445 176.870 -0.086 0.000 1.087 548 L CA 0.585 55.401 54.840 -0.041 0.000 0.767 548 L CB -0.630 41.426 42.059 -0.005 0.000 0.917 548 L HN 0.122 nan 8.230 nan 0.000 0.441 549 V N 0.609 120.444 119.914 -0.131 0.000 2.407 549 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 549 V C 2.824 178.861 176.094 -0.095 0.000 1.055 549 V CA 1.770 63.980 62.300 -0.150 0.000 1.049 549 V CB -0.924 30.789 31.823 -0.183 0.000 0.662 549 V HN 0.477 nan 8.190 nan 0.000 0.455 550 A N -0.578 122.195 122.820 -0.078 0.000 2.024 550 A HA -0.312 4.008 4.320 -0.000 0.000 0.220 550 A C 2.154 179.706 177.584 -0.054 0.000 1.164 550 A CA 1.971 53.969 52.037 -0.066 0.000 0.643 550 A CB -0.469 18.471 19.000 -0.100 0.000 0.806 550 A HN 0.673 nan 8.150 nan 0.000 0.451 551 Q N -0.863 118.905 119.800 -0.054 0.000 2.224 551 Q HA -0.085 4.255 4.340 -0.000 0.000 0.203 551 Q C 1.200 177.180 176.000 -0.032 0.000 0.970 551 Q CA 1.598 57.377 55.803 -0.040 0.000 0.865 551 Q CB -0.132 28.586 28.738 -0.034 0.000 0.922 551 Q HN 0.815 nan 8.270 nan 0.000 0.445 552 T N -2.028 112.501 114.554 -0.041 0.000 3.288 552 T HA 0.104 4.454 4.350 -0.000 0.000 0.293 552 T C -0.383 174.297 174.700 -0.033 0.000 1.008 552 T CA -0.375 61.704 62.100 -0.035 0.000 0.929 552 T CB 0.094 68.934 68.868 -0.046 0.000 1.152 552 T HN 0.144 nan 8.240 nan 0.000 0.517 553 D N 0.863 121.250 120.400 -0.021 0.000 2.511 553 D HA 0.376 5.016 4.640 -0.000 0.000 0.276 553 D C 0.603 176.917 176.300 0.024 0.000 1.220 553 D CA -1.052 52.947 54.000 -0.002 0.000 1.077 553 D CB 0.433 41.242 40.800 0.015 0.000 1.126 553 D HN -0.045 nan 8.370 nan 0.000 0.583 554 S N -1.974 113.756 115.700 0.050 0.000 2.605 554 S HA 0.062 4.531 4.470 -0.000 0.000 0.217 554 S C -0.460 174.198 174.600 0.096 0.000 0.958 554 S CA -0.337 57.887 58.200 0.040 0.000 0.919 554 S CB -0.730 62.489 63.200 0.031 0.000 0.780 554 S HN 0.418 nan 8.310 nan 0.000 0.507 555 Y N 2.848 123.172 120.300 0.040 0.000 2.342 555 Y HA 0.619 5.169 4.550 -0.000 0.000 0.334 555 Y C -0.054 175.872 175.900 0.044 0.000 1.067 555 Y CA -0.838 57.314 58.100 0.087 0.000 1.128 555 Y CB 0.658 39.157 38.460 0.064 0.000 1.200 555 Y HN 0.045 nan 8.280 nan 0.000 0.464 556 N N 4.051 122.602 118.700 -0.249 0.000 3.217 556 N HA -0.049 4.691 4.740 -0.000 0.000 0.236 556 N C -0.273 175.283 175.510 0.076 0.000 1.136 556 N CA -0.444 52.596 53.050 -0.016 0.000 0.997 556 N CB 0.387 38.911 38.487 0.061 0.000 1.658 556 N HN 0.702 nan 8.380 nan 0.000 0.527 557 W N 2.133 123.505 121.300 0.120 0.000 2.342 557 W HA 0.075 4.735 4.660 -0.000 0.000 0.297 557 W C 1.670 178.174 176.519 -0.026 0.000 1.213 557 W CA 2.289 59.725 57.345 0.151 0.000 1.251 557 W CB -0.723 28.973 29.460 0.392 0.000 1.136 557 W HN 0.911 nan 8.180 nan 0.000 0.526 558 G N -1.951 106.985 108.800 0.227 0.000 2.131 558 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.223 558 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.223 558 G C -0.111 174.735 174.900 -0.090 0.000 0.990 558 G CA -0.148 44.929 45.100 -0.038 0.000 0.671 558 G HN 0.272 nan 8.290 nan 0.000 0.521 559 Y N 1.912 122.363 120.300 0.251 0.000 3.103 559 Y HA 0.325 4.875 4.550 -0.000 0.000 0.389 559 Y C 0.429 176.514 175.900 0.308 0.000 1.082 559 Y CA -0.009 58.267 58.100 0.295 0.000 1.987 559 Y CB 0.236 38.884 38.460 0.313 0.000 2.096 559 Y HN 0.165 nan 8.280 nan 0.000 0.423 560 D N 0.598 121.178 120.400 0.300 0.000 2.468 560 D HA 0.181 4.821 4.640 -0.000 0.000 0.272 560 D C -2.887 173.510 176.300 0.161 0.000 1.221 560 D CA -1.484 52.654 54.000 0.229 0.000 0.860 560 D CB 1.476 42.369 40.800 0.156 0.000 1.190 560 D HN 0.076 nan 8.370 nan 0.000 0.509 561 P HA 0.055 nan 4.420 nan 0.000 0.262 561 P C 0.002 177.228 177.300 -0.123 0.000 1.199 561 P CA 0.154 63.217 63.100 -0.061 0.000 0.763 561 P CB 0.539 31.934 31.700 -0.507 0.000 0.790 562 F N 2.291 122.111 119.950 -0.216 0.000 2.480 562 F HA 0.141 4.668 4.527 -0.000 0.000 0.280 562 F C 0.698 176.128 175.800 -0.616 0.000 1.002 562 F CA 0.152 57.967 58.000 -0.308 0.000 1.325 562 F CB 0.676 39.612 39.000 -0.108 0.000 1.134 562 F HN 0.269 nan 8.300 nan 0.000 0.646 563 H N -0.584 118.490 119.070 0.007 0.000 2.840 563 H HA 0.152 4.708 4.556 -0.000 0.000 0.340 563 H C -0.564 174.754 175.328 -0.018 0.000 1.004 563 H CA -0.594 55.409 56.048 -0.074 0.000 1.288 563 H CB 1.247 30.961 29.762 -0.080 0.000 1.607 563 H HN 0.192 nan 8.280 nan 0.000 0.522 564 Y N 1.116 121.528 120.300 0.186 0.000 2.509 564 Y HA -0.079 4.471 4.550 -0.000 0.000 0.293 564 Y C 1.271 177.398 175.900 0.378 0.000 1.133 564 Y CA 0.806 58.981 58.100 0.125 0.000 1.283 564 Y CB 0.653 39.197 38.460 0.140 0.000 1.001 564 Y HN 0.370 nan 8.280 nan 0.000 0.555 565 T N -0.279 114.534 114.554 0.433 0.000 3.415 565 T HA 0.393 4.743 4.350 -0.000 0.000 0.282 565 T C -0.564 174.136 174.700 -0.001 0.000 1.007 565 T CA -0.113 62.108 62.100 0.201 0.000 0.958 565 T CB -0.263 68.676 68.868 0.119 0.000 1.171 565 T HN -0.255 nan 8.240 nan 0.000 0.500 566 V N 1.826 121.842 119.914 0.171 0.000 2.760 566 V HA 0.467 4.587 4.120 -0.000 0.000 0.309 566 V C -2.690 173.488 176.094 0.140 0.000 1.077 566 V CA -2.602 59.719 62.300 0.036 0.000 0.910 566 V CB 2.635 34.466 31.823 0.014 0.000 1.008 566 V HN 0.061 nan 8.190 nan 0.000 0.424 567 P HA 0.169 nan 4.420 nan 0.000 0.272 567 P C -0.562 176.803 177.300 0.109 0.000 1.230 567 P CA -0.178 62.904 63.100 -0.030 0.000 0.788 567 P CB 0.533 32.052 31.700 -0.302 0.000 0.949 568 E N 0.768 121.077 120.200 0.182 0.000 2.413 568 E HA 0.134 4.484 4.350 -0.000 0.000 0.263 568 E C 1.312 177.932 176.600 0.034 0.000 1.015 568 E CA 0.533 56.952 56.400 0.031 0.000 0.916 568 E CB -0.040 29.585 29.700 -0.124 0.000 0.947 568 E HN 0.512 nan 8.360 nan 0.000 0.440 569 G N 2.381 111.124 108.800 -0.096 0.000 2.426 569 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.214 569 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.214 569 G C 1.343 176.137 174.900 -0.176 0.000 1.156 569 G CA 0.563 45.607 45.100 -0.094 0.000 0.802 569 G HN 0.629 nan 8.290 nan 0.000 0.534 570 S N 0.031 115.538 115.700 -0.321 0.000 2.442 570 S HA -0.085 4.385 4.470 -0.000 0.000 0.236 570 S C 1.831 176.238 174.600 -0.321 0.000 1.007 570 S CA 0.787 58.782 58.200 -0.342 0.000 0.965 570 S CB -0.494 62.452 63.200 -0.424 0.000 0.773 570 S HN 0.339 nan 8.310 nan 0.000 0.504 571 Y N 2.020 122.101 120.300 -0.365 0.000 2.490 571 Y HA 0.613 5.163 4.550 -0.000 0.000 0.281 571 Y C 1.254 176.770 175.900 -0.639 0.000 1.174 571 Y CA -1.006 56.681 58.100 -0.690 0.000 1.295 571 Y CB -0.891 36.770 38.460 -1.332 0.000 1.062 571 Y HN 0.425 nan 8.280 nan 0.000 0.522 572 A N -0.213 122.533 122.820 -0.123 0.000 2.294 572 A HA 0.456 4.776 4.320 -0.000 0.000 0.330 572 A C 1.414 179.009 177.584 0.019 0.000 1.133 572 A CA 0.131 52.212 52.037 0.073 0.000 0.836 572 A CB 0.418 19.523 19.000 0.174 0.000 1.190 572 A HN 0.309 nan 8.150 nan 0.000 0.492 573 T N -1.893 112.689 114.554 0.047 0.000 2.951 573 T HA 0.002 4.352 4.350 -0.000 0.000 0.268 573 T C 0.155 174.862 174.700 0.013 0.000 1.073 573 T CA 1.528 63.641 62.100 0.021 0.000 1.134 573 T CB -0.107 68.779 68.868 0.030 0.000 0.884 573 T HN 0.572 nan 8.240 nan 0.000 0.479 574 D N 1.698 122.112 120.400 0.024 0.000 2.476 574 D HA 0.305 4.945 4.640 -0.000 0.000 0.251 574 D C -2.264 174.039 176.300 0.006 0.000 1.291 574 D CA -2.370 51.636 54.000 0.011 0.000 0.939 574 D CB 2.233 43.047 40.800 0.024 0.000 1.221 574 D HN -0.007 nan 8.370 nan 0.000 0.567 575 P HA 0.047 nan 4.420 nan 0.000 0.249 575 P C 0.096 177.355 177.300 -0.067 0.000 1.229 575 P CA 0.074 63.133 63.100 -0.067 0.000 0.788 575 P CB 0.468 32.081 31.700 -0.146 0.000 1.072 576 E N 1.141 121.323 120.200 -0.029 0.000 2.044 576 E HA 0.456 4.806 4.350 -0.000 0.000 0.282 576 E C 0.827 177.491 176.600 0.106 0.000 1.031 576 E CA 0.319 56.727 56.400 0.014 0.000 0.824 576 E CB -0.304 29.407 29.700 0.018 0.000 1.076 576 E HN 0.305 nan 8.360 nan 0.000 0.395 577 G N 3.192 112.100 108.800 0.180 0.000 2.542 577 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.235 577 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.235 577 G C 0.953 175.899 174.900 0.076 0.000 1.286 577 G CA 0.190 45.400 45.100 0.184 0.000 0.904 577 G HN 0.865 nan 8.290 nan 0.000 0.577 578 T N -1.011 113.562 114.554 0.033 0.000 3.007 578 T HA 0.301 4.651 4.350 -0.000 0.000 0.270 578 T C 2.609 177.326 174.700 0.029 0.000 1.107 578 T CA 2.329 64.439 62.100 0.016 0.000 1.118 578 T CB -0.449 68.411 68.868 -0.014 0.000 0.889 578 T HN 2.126 nan 8.240 nan 0.000 0.506 579 A N 3.482 126.325 122.820 0.039 0.000 1.940 579 A HA -0.282 4.038 4.320 -0.000 0.000 0.221 579 A C 2.526 180.156 177.584 0.076 0.000 1.190 579 A CA 2.361 54.426 52.037 0.048 0.000 0.647 579 A CB -0.914 18.116 19.000 0.049 0.000 0.821 579 A HN 0.821 nan 8.150 nan 0.000 0.457 580 R N -0.218 120.341 120.500 0.098 0.000 2.152 580 R HA -0.036 4.304 4.340 -0.000 0.000 0.232 580 R C 1.805 178.201 176.300 0.159 0.000 1.117 580 R CA 1.687 57.889 56.100 0.170 0.000 0.981 580 R CB -0.750 29.660 30.300 0.182 0.000 0.870 580 R HN 0.509 nan 8.270 nan 0.000 0.451 581 I N 1.424 122.054 120.570 0.099 0.000 2.179 581 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 581 I C 2.784 178.946 176.117 0.076 0.000 1.088 581 I CA 1.652 63.016 61.300 0.107 0.000 1.357 581 I CB -0.324 37.700 38.000 0.040 0.000 1.051 581 I HN 0.245 nan 8.210 nan 0.000 0.409 582 K N 1.030 121.436 120.400 0.010 0.000 2.097 582 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 582 K C 1.961 178.564 176.600 0.004 0.000 1.050 582 K CA 1.283 57.543 56.287 -0.045 0.000 0.938 582 K CB 0.056 32.532 32.500 -0.041 0.000 0.718 582 K HN 0.329 nan 8.250 nan 0.000 0.442 583 E N -0.229 120.016 120.200 0.075 0.000 2.077 583 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 583 E C 1.839 178.476 176.600 0.061 0.000 0.989 583 E CA 1.143 57.609 56.400 0.110 0.000 0.800 583 E CB -0.195 29.630 29.700 0.209 0.000 0.746 583 E HN 0.308 nan 8.360 nan 0.000 0.452 584 F N 1.961 121.808 119.950 -0.170 0.000 2.102 584 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 584 F C 2.347 178.037 175.800 -0.182 0.000 1.105 584 F CA 1.503 59.227 58.000 -0.461 0.000 1.239 584 F CB 0.083 38.787 39.000 -0.493 0.000 0.991 584 F HN -0.208 nan 8.300 nan 0.000 0.474 585 R N -0.607 119.941 120.500 0.079 0.000 2.096 585 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 585 R C 2.093 178.380 176.300 -0.022 0.000 1.127 585 R CA 1.852 57.866 56.100 -0.144 0.000 0.968 585 R CB -0.848 29.021 30.300 -0.719 0.000 0.861 585 R HN 0.257 nan 8.270 nan 0.000 0.440 586 T N 1.273 115.811 114.554 -0.027 0.000 2.788 586 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 586 T C 1.663 176.374 174.700 0.018 0.000 1.044 586 T CA 1.356 63.475 62.100 0.033 0.000 1.139 586 T CB -0.074 68.809 68.868 0.026 0.000 0.867 586 T HN 0.266 nan 8.240 nan 0.000 0.454 587 M N 0.596 120.155 119.600 -0.069 0.000 2.099 587 M HA -0.068 4.412 4.480 -0.000 0.000 0.262 587 M C 1.850 178.086 176.300 -0.108 0.000 1.067 587 M CA 1.582 56.813 55.300 -0.115 0.000 1.124 587 M CB -0.186 32.276 32.600 -0.230 0.000 1.353 587 M HN 0.092 nan 8.290 nan 0.000 0.410 588 I N 0.787 121.282 120.570 -0.124 0.000 2.163 588 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 588 I C 2.499 178.681 176.117 0.109 0.000 1.085 588 I CA 1.755 63.062 61.300 0.010 0.000 1.347 588 I CB -1.666 36.473 38.000 0.232 0.000 1.044 588 I HN 0.579 nan 8.210 nan 0.000 0.408 589 Q N 0.846 120.782 119.800 0.226 0.000 2.084 589 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 589 Q C 2.312 178.350 176.000 0.063 0.000 0.978 589 Q CA 2.226 58.132 55.803 0.171 0.000 0.844 589 Q CB -0.006 28.893 28.738 0.268 0.000 0.898 589 Q HN 0.477 nan 8.270 nan 0.000 0.426 590 A N 0.841 123.686 122.820 0.042 0.000 1.902 590 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 590 A C 2.008 179.585 177.584 -0.013 0.000 1.181 590 A CA 1.433 53.475 52.037 0.008 0.000 0.623 590 A CB -0.695 18.303 19.000 -0.003 0.000 0.818 590 A HN 0.496 nan 8.150 nan 0.000 0.443 591 I N -0.513 120.044 120.570 -0.022 0.000 2.179 591 I HA -0.296 3.873 4.170 -0.000 0.000 0.242 591 I C 2.546 178.646 176.117 -0.028 0.000 1.088 591 I CA 1.759 63.039 61.300 -0.033 0.000 1.357 591 I CB -0.324 37.649 38.000 -0.046 0.000 1.051 591 I HN 0.309 nan 8.210 nan 0.000 0.409 592 K N 0.162 120.547 120.400 -0.025 0.000 2.007 592 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 592 K C 2.219 178.793 176.600 -0.042 0.000 1.047 592 K CA 1.304 57.568 56.287 -0.037 0.000 0.937 592 K CB -0.213 32.257 32.500 -0.049 0.000 0.718 592 K HN 0.302 nan 8.250 nan 0.000 0.438 593 Q N 0.543 120.323 119.800 -0.033 0.000 2.049 593 Q HA -0.130 4.210 4.340 -0.000 0.000 0.198 593 Q C 1.222 177.204 176.000 -0.030 0.000 0.971 593 Q CA 1.495 57.277 55.803 -0.034 0.000 0.833 593 Q CB 0.342 29.068 28.738 -0.019 0.000 0.896 593 Q HN 0.230 nan 8.270 nan 0.000 0.434 594 D N -0.520 119.866 120.400 -0.022 0.000 2.301 594 D HA 0.021 4.661 4.640 -0.000 0.000 0.206 594 D C 1.452 177.733 176.300 -0.031 0.000 0.979 594 D CA 0.595 54.580 54.000 -0.024 0.000 0.874 594 D CB 0.429 41.218 40.800 -0.018 0.000 0.968 594 D HN 0.254 nan 8.370 nan 0.000 0.510 595 L N -0.337 120.866 121.223 -0.032 0.000 2.590 595 L HA 0.245 4.585 4.340 -0.000 0.000 0.227 595 L C 1.195 178.051 176.870 -0.023 0.000 1.099 595 L CA 0.245 55.064 54.840 -0.035 0.000 0.872 595 L CB 0.205 42.239 42.059 -0.043 0.000 1.088 595 L HN 0.037 nan 8.230 nan 0.000 0.479 596 G N 1.192 109.977 108.800 -0.024 0.000 2.221 596 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.265 596 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.265 596 G C 0.044 174.983 174.900 0.065 0.000 1.041 596 G CA 0.383 45.471 45.100 -0.020 0.000 0.807 596 G HN 0.287 nan 8.290 nan 0.000 0.502 597 M N -0.542 119.081 119.600 0.038 0.000 2.535 597 M HA 0.400 4.880 4.480 -0.000 0.000 0.314 597 M C 0.049 176.314 176.300 -0.057 0.000 1.153 597 M CA -1.024 54.297 55.300 0.036 0.000 0.924 597 M CB 1.563 34.152 32.600 -0.019 0.000 1.710 597 M HN 0.046 nan 8.290 nan 0.000 0.451 598 N N 0.445 119.006 118.700 -0.231 0.000 2.381 598 N HA 0.495 5.235 4.740 -0.000 0.000 0.254 598 N C -1.225 174.179 175.510 -0.177 0.000 1.264 598 N CA -0.217 52.646 53.050 -0.312 0.000 0.942 598 N CB 0.923 38.963 38.487 -0.745 0.000 1.190 598 N HN 0.319 nan 8.380 nan 0.000 0.495 599 V N 1.545 121.425 119.914 -0.057 0.000 2.540 599 V HA 0.494 4.614 4.120 -0.000 0.000 0.302 599 V C -0.092 176.030 176.094 0.048 0.000 1.035 599 V CA -0.619 61.687 62.300 0.010 0.000 0.873 599 V CB 1.328 33.148 31.823 -0.005 0.000 0.992 599 V HN 0.445 nan 8.190 nan 0.000 0.428 600 I N 4.642 125.264 120.570 0.087 0.000 2.474 600 I HA 0.523 4.693 4.170 -0.000 0.000 0.294 600 I C -0.318 175.786 176.117 -0.022 0.000 1.005 600 I CA -0.464 60.879 61.300 0.072 0.000 1.113 600 I CB 2.044 40.221 38.000 0.296 0.000 1.289 600 I HN 0.423 nan 8.210 nan 0.000 0.436 601 M N 4.143 123.649 119.600 -0.157 0.000 2.294 601 M HA 0.318 4.798 4.480 -0.000 0.000 0.335 601 M C -1.223 175.015 176.300 -0.105 0.000 1.079 601 M CA -0.755 54.467 55.300 -0.130 0.000 0.982 601 M CB 1.677 34.165 32.600 -0.187 0.000 1.651 601 M HN 0.386 nan 8.290 nan 0.000 0.437 602 D N 2.504 122.855 120.400 -0.082 0.000 2.351 602 D HA 0.376 5.016 4.640 -0.000 0.000 0.251 602 D C -0.773 175.483 176.300 -0.074 0.000 1.137 602 D CA 0.115 54.073 54.000 -0.071 0.000 0.879 602 D CB 1.021 41.808 40.800 -0.023 0.000 1.181 602 D HN 0.320 nan 8.370 nan 0.000 0.448 603 V N 0.156 119.938 119.914 -0.220 0.000 2.769 603 V HA 0.690 4.810 4.120 -0.000 0.000 0.312 603 V C -0.238 175.630 176.094 -0.377 0.000 1.061 603 V CA -0.897 61.129 62.300 -0.457 0.000 0.931 603 V CB 2.122 33.528 31.823 -0.696 0.000 1.010 603 V HN 0.178 nan 8.190 nan 0.000 0.433 604 V N 4.219 123.781 119.914 -0.586 0.000 2.361 604 V HA 0.300 4.420 4.120 -0.000 0.000 0.252 604 V C -0.291 175.656 176.094 -0.245 0.000 0.986 604 V CA -0.062 62.093 62.300 -0.241 0.000 1.033 604 V CB -0.315 31.484 31.823 -0.040 0.000 1.282 604 V HN 0.956 nan 8.190 nan 0.000 0.514 605 Y N 1.202 121.523 120.300 0.034 0.000 2.490 605 Y HA 0.028 4.577 4.550 -0.000 0.000 0.281 605 Y C 2.315 178.385 175.900 0.284 0.000 1.174 605 Y CA 0.232 58.351 58.100 0.031 0.000 1.295 605 Y CB -0.098 38.322 38.460 -0.068 0.000 1.062 605 Y HN 0.635 nan 8.280 nan 0.000 0.522 606 N N 0.638 119.574 118.700 0.394 0.000 2.512 606 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 606 N C -0.066 175.574 175.510 0.216 0.000 1.073 606 N CA 0.955 54.155 53.050 0.250 0.000 0.911 606 N CB -0.305 38.336 38.487 0.258 0.000 0.964 606 N HN 0.526 nan 8.380 nan 0.000 0.447 607 H N -2.318 116.851 119.070 0.164 0.000 3.003 607 H HA 0.454 5.009 4.556 -0.000 0.000 0.327 607 H C -1.061 174.370 175.328 0.172 0.000 1.353 607 H CA -0.852 55.254 56.048 0.097 0.000 1.142 607 H CB 0.866 30.631 29.762 0.004 0.000 1.864 607 H HN 0.005 nan 8.280 nan 0.000 0.529 608 T N -1.509 113.161 114.554 0.194 0.000 2.950 608 T HA 0.221 4.571 4.350 -0.000 0.000 0.288 608 T C 0.724 175.514 174.700 0.151 0.000 1.035 608 T CA -0.749 61.402 62.100 0.085 0.000 1.028 608 T CB 1.784 70.684 68.868 0.054 0.000 1.109 608 T HN 0.830 nan 8.240 nan 0.000 0.514 609 N N 0.484 119.197 118.700 0.022 0.000 2.223 609 N HA 0.002 4.742 4.740 -0.000 0.000 0.185 609 N C 0.453 175.951 175.510 -0.020 0.000 1.016 609 N CA 0.926 53.985 53.050 0.015 0.000 0.863 609 N CB -0.029 38.385 38.487 -0.122 0.000 0.983 609 N HN 0.892 nan 8.380 nan 0.000 0.429 610 A N -0.909 121.884 122.820 -0.046 0.000 2.586 610 A HA 0.743 5.063 4.320 -0.000 0.000 0.290 610 A C -1.536 176.045 177.584 -0.005 0.000 1.086 610 A CA -0.123 51.891 52.037 -0.039 0.000 0.665 610 A CB 1.120 20.064 19.000 -0.092 0.000 1.279 610 A HN 0.274 nan 8.150 nan 0.000 0.423 611 A N -1.039 121.794 122.820 0.022 0.000 2.525 611 A HA 1.100 5.420 4.320 -0.000 0.000 0.291 611 A C 0.542 178.174 177.584 0.079 0.000 1.268 611 A CA 0.078 52.165 52.037 0.083 0.000 0.712 611 A CB 0.515 19.590 19.000 0.126 0.000 1.320 611 A HN 2.996 nan 8.150 nan 0.000 0.456 612 G N -1.532 107.370 108.800 0.170 0.000 2.712 612 G HA2 0.027 3.987 3.960 -0.000 0.000 0.683 612 G HA3 0.027 3.987 3.960 -0.000 0.000 0.683 612 G C -2.312 172.526 174.900 -0.103 0.000 1.320 612 G CA -0.007 45.097 45.100 0.006 0.000 0.847 612 G HN 0.879 nan 8.290 nan 0.000 0.553 613 P HA 0.094 nan 4.420 nan 0.000 0.255 613 P C 1.198 178.488 177.300 -0.017 0.000 1.248 613 P CA 1.795 64.833 63.100 -0.103 0.000 0.807 613 P CB 0.351 31.938 31.700 -0.190 0.000 1.150 614 T N -5.952 108.558 114.554 -0.072 0.000 2.989 614 T HA 0.079 4.429 4.350 -0.000 0.000 0.250 614 T C 0.728 175.389 174.700 -0.065 0.000 0.981 614 T CA -0.001 62.072 62.100 -0.045 0.000 0.980 614 T CB -0.677 68.169 68.868 -0.037 0.000 1.133 614 T HN -0.137 nan 8.240 nan 0.000 0.489 615 D N 1.993 122.348 120.400 -0.077 0.000 2.488 615 D HA 0.023 4.663 4.640 -0.000 0.000 0.238 615 D C 1.338 177.571 176.300 -0.110 0.000 1.138 615 D CA -0.060 53.887 54.000 -0.089 0.000 0.873 615 D CB 1.048 41.792 40.800 -0.093 0.000 1.183 615 D HN 0.258 nan 8.370 nan 0.000 0.458 616 R N 1.923 122.358 120.500 -0.108 0.000 2.117 616 R HA -0.186 4.154 4.340 -0.000 0.000 0.243 616 R C 1.648 177.865 176.300 -0.138 0.000 1.143 616 R CA 2.059 58.104 56.100 -0.093 0.000 0.968 616 R CB -0.234 30.022 30.300 -0.074 0.000 0.863 616 R HN 0.556 nan 8.270 nan 0.000 0.444 617 T N -2.420 111.934 114.554 -0.333 0.000 3.107 617 T HA 0.086 4.436 4.350 -0.000 0.000 0.249 617 T C 0.628 175.156 174.700 -0.287 0.000 1.096 617 T CA 0.009 61.720 62.100 -0.649 0.000 1.012 617 T CB 0.296 68.567 68.868 -0.996 0.000 0.977 617 T HN 0.062 nan 8.240 nan 0.000 0.527 618 S N 0.706 116.314 115.700 -0.153 0.000 2.405 618 S HA 0.395 4.865 4.470 -0.000 0.000 0.291 618 S C 0.820 175.387 174.600 -0.054 0.000 1.137 618 S CA -0.691 57.459 58.200 -0.082 0.000 1.061 618 S CB 0.278 63.442 63.200 -0.062 0.000 1.001 618 S HN 0.261 nan 8.310 nan 0.000 0.507 619 V N 6.499 126.402 119.914 -0.020 0.000 2.784 619 V HA 0.068 4.188 4.120 -0.000 0.000 0.231 619 V C 2.156 178.269 176.094 0.031 0.000 1.128 619 V CA 0.543 62.846 62.300 0.005 0.000 1.178 619 V CB -0.894 30.923 31.823 -0.010 0.000 0.943 619 V HN 0.774 nan 8.190 nan 0.000 0.500 620 L N 0.548 121.777 121.223 0.010 0.000 2.012 620 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 620 L C 2.177 179.179 176.870 0.220 0.000 1.073 620 L CA 2.200 57.033 54.840 -0.012 0.000 0.748 620 L CB -0.548 41.371 42.059 -0.234 0.000 0.891 620 L HN 0.426 nan 8.230 nan 0.000 0.431 621 D N -0.472 120.050 120.400 0.203 0.000 2.371 621 D HA -0.111 4.529 4.640 -0.000 0.000 0.221 621 D C 2.027 178.481 176.300 0.258 0.000 0.986 621 D CA 0.769 54.935 54.000 0.275 0.000 0.899 621 D CB 0.246 41.218 40.800 0.287 0.000 0.902 621 D HN 0.161 nan 8.370 nan 0.000 0.530 622 K N -0.710 119.783 120.400 0.155 0.000 2.202 622 K HA 0.138 4.458 4.320 -0.000 0.000 0.201 622 K C 1.893 178.618 176.600 0.209 0.000 1.051 622 K CA 0.339 56.687 56.287 0.102 0.000 0.977 622 K CB 0.406 32.691 32.500 -0.358 0.000 0.792 622 K HN 0.190 nan 8.250 nan 0.000 0.469 623 I N 0.644 121.317 120.570 0.172 0.000 2.333 623 I HA -0.112 4.058 4.170 -0.000 0.000 0.246 623 I C 0.427 176.617 176.117 0.122 0.000 1.106 623 I CA 0.847 62.248 61.300 0.169 0.000 1.411 623 I CB 0.489 38.601 38.000 0.186 0.000 1.082 623 I HN -0.190 nan 8.210 nan 0.000 0.420 624 V N 2.058 122.094 119.914 0.204 0.000 2.383 624 V HA 0.288 4.408 4.120 -0.000 0.000 0.264 624 V C -2.511 173.667 176.094 0.140 0.000 1.001 624 V CA -1.468 60.880 62.300 0.080 0.000 0.828 624 V CB 0.487 32.316 31.823 0.010 0.000 1.069 624 V HN -0.005 nan 8.190 nan 0.000 0.451 625 P HA 0.016 nan 4.420 nan 0.000 0.264 625 P C 0.060 177.428 177.300 0.112 0.000 1.183 625 P CA 0.509 63.483 63.100 -0.210 0.000 0.763 625 P CB 0.182 31.363 31.700 -0.866 0.000 0.807 626 W N 0.623 121.906 121.300 -0.029 0.000 3.207 626 W HA -0.248 4.412 4.660 -0.000 0.000 0.291 626 W C 0.999 177.598 176.519 0.132 0.000 1.105 626 W CA 0.736 58.120 57.345 0.064 0.000 0.612 626 W CB -2.881 26.604 29.460 0.042 0.000 2.140 626 W HN 0.539 nan 8.180 nan 0.000 1.420 627 Y N -1.516 118.914 120.300 0.216 0.000 2.422 627 Y HA 0.068 4.618 4.550 -0.000 0.000 0.291 627 Y C 2.154 178.147 175.900 0.154 0.000 1.144 627 Y CA 1.850 60.018 58.100 0.114 0.000 1.208 627 Y CB -0.836 37.575 38.460 -0.081 0.000 1.195 627 Y HN -0.098 nan 8.280 nan 0.000 0.535 628 Y N 0.908 121.347 120.300 0.232 0.000 2.561 628 Y HA 0.053 4.603 4.550 -0.000 0.000 0.291 628 Y C 0.463 176.215 175.900 -0.246 0.000 1.141 628 Y CA 0.204 58.270 58.100 -0.055 0.000 1.303 628 Y CB -0.058 38.403 38.460 0.002 0.000 1.015 628 Y HN 0.057 nan 8.280 nan 0.000 0.547 629 Q N 0.488 120.318 119.800 0.050 0.000 2.266 629 Q HA 0.316 4.655 4.340 -0.000 0.000 0.261 629 Q C -0.446 175.525 176.000 -0.048 0.000 0.985 629 Q CA -0.846 54.948 55.803 -0.015 0.000 0.873 629 Q CB 2.170 30.939 28.738 0.052 0.000 1.306 629 Q HN 0.210 nan 8.270 nan 0.000 0.447 630 R N 1.864 122.326 120.500 -0.064 0.000 2.308 630 R HA 0.496 4.836 4.340 -0.000 0.000 0.305 630 R C -0.682 175.588 176.300 -0.049 0.000 1.053 630 R CA -0.128 55.940 56.100 -0.053 0.000 0.957 630 R CB 0.386 30.672 30.300 -0.022 0.000 1.022 630 R HN 0.514 nan 8.270 nan 0.000 0.461 631 L N 2.645 123.832 121.223 -0.059 0.000 2.322 631 L HA 0.380 4.720 4.340 -0.000 0.000 0.269 631 L C 0.278 177.123 176.870 -0.042 0.000 1.012 631 L CA -1.179 53.586 54.840 -0.125 0.000 0.815 631 L CB 1.470 43.335 42.059 -0.323 0.000 1.295 631 L HN 0.652 nan 8.230 nan 0.000 0.438 632 N N 0.822 119.493 118.700 -0.050 0.000 2.483 632 N HA -0.036 4.704 4.740 -0.000 0.000 0.264 632 N C 0.420 175.978 175.510 0.080 0.000 1.197 632 N CA -0.034 53.029 53.050 0.021 0.000 0.927 632 N CB 1.401 39.896 38.487 0.014 0.000 1.065 632 N HN 0.622 nan 8.380 nan 0.000 0.461 633 E N 1.770 122.073 120.200 0.172 0.000 2.267 633 E HA -0.121 4.229 4.350 -0.000 0.000 0.197 633 E C 1.029 177.862 176.600 0.389 0.000 0.998 633 E CA 1.632 58.229 56.400 0.328 0.000 0.830 633 E CB 0.159 30.031 29.700 0.288 0.000 0.751 633 E HN 0.638 nan 8.360 nan 0.000 0.491 634 T N -1.359 113.328 114.554 0.222 0.000 3.046 634 T HA -0.029 4.321 4.350 -0.000 0.000 0.242 634 T C 1.955 176.720 174.700 0.108 0.000 1.018 634 T CA 1.200 63.410 62.100 0.183 0.000 1.131 634 T CB -0.017 68.935 68.868 0.141 0.000 0.904 634 T HN 0.378 nan 8.240 nan 0.000 0.459 635 T N -1.080 113.511 114.554 0.062 0.000 3.037 635 T HA 0.388 4.737 4.350 -0.000 0.000 0.252 635 T C 1.950 176.638 174.700 -0.020 0.000 1.073 635 T CA 0.975 63.101 62.100 0.043 0.000 1.091 635 T CB -0.077 68.816 68.868 0.042 0.000 0.935 635 T HN 0.500 nan 8.240 nan 0.000 0.488 636 G N 1.153 109.854 108.800 -0.165 0.000 2.179 636 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 636 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 636 G C 0.265 174.873 174.900 -0.487 0.000 0.977 636 G CA 0.428 45.186 45.100 -0.571 0.000 0.641 636 G HN 0.980 nan 8.290 nan 0.000 0.533 637 S N -0.350 115.252 115.700 -0.164 0.000 2.562 637 S HA 0.437 4.906 4.470 -0.000 0.000 0.281 637 S C 0.960 175.499 174.600 -0.101 0.000 1.333 637 S CA 0.044 58.204 58.200 -0.067 0.000 1.052 637 S CB 0.912 64.110 63.200 -0.003 0.000 0.884 637 S HN 0.954 nan 8.310 nan 0.000 0.506 638 V N 6.091 125.976 119.914 -0.049 0.000 2.485 638 V HA 0.103 4.223 4.120 -0.000 0.000 0.287 638 V C 0.853 176.936 176.094 -0.019 0.000 1.022 638 V CA 0.036 62.313 62.300 -0.037 0.000 1.067 638 V CB 0.014 31.850 31.823 0.021 0.000 0.967 638 V HN 0.874 nan 8.190 nan 0.000 0.479 639 E N 3.021 123.209 120.200 -0.020 0.000 2.408 639 E HA 0.189 4.539 4.350 -0.000 0.000 0.259 639 E C 0.436 177.030 176.600 -0.009 0.000 1.110 639 E CA 0.374 56.772 56.400 -0.004 0.000 0.929 639 E CB 0.586 30.294 29.700 0.014 0.000 0.971 639 E HN 0.828 nan 8.360 nan 0.000 0.438 640 S N -0.401 115.291 115.700 -0.014 0.000 2.941 640 S HA 0.310 4.780 4.470 -0.000 0.000 0.251 640 S C 1.008 175.571 174.600 -0.060 0.000 1.029 640 S CA -0.111 58.059 58.200 -0.049 0.000 1.062 640 S CB 0.773 63.943 63.200 -0.049 0.000 0.977 640 S HN 0.524 nan 8.310 nan 0.000 0.552 641 A N 2.521 125.335 122.820 -0.010 0.000 1.978 641 A HA -0.067 4.253 4.320 -0.000 0.000 0.220 641 A C 2.384 179.907 177.584 -0.101 0.000 1.170 641 A CA 2.105 54.168 52.037 0.042 0.000 0.636 641 A CB -1.483 17.669 19.000 0.254 0.000 0.810 641 A HN 0.814 nan 8.150 nan 0.000 0.448 642 T N -4.506 109.860 114.554 -0.314 0.000 2.951 642 T HA -0.061 4.289 4.350 -0.000 0.000 0.268 642 T C 1.345 175.821 174.700 -0.373 0.000 1.073 642 T CA 1.894 63.702 62.100 -0.488 0.000 1.134 642 T CB -0.796 67.767 68.868 -0.509 0.000 0.884 642 T HN 1.631 nan 8.240 nan 0.000 0.479 643 C N -2.384 116.733 119.300 -0.305 0.000 6.230 643 C HA -0.012 4.448 4.460 -0.000 0.000 0.221 643 C C 1.495 176.339 174.990 -0.244 0.000 1.269 643 C CA -0.589 58.269 59.018 -0.268 0.000 1.112 643 C CB -1.330 26.209 27.740 -0.336 0.000 2.402 643 C HN 0.632 nan 8.230 nan 0.000 0.678 644 C N 1.558 120.657 119.300 -0.334 0.000 3.070 644 C HA 0.739 5.199 4.460 -0.000 0.000 0.076 644 C C 0.914 175.844 174.990 -0.100 0.000 2.295 644 C CA 0.648 59.540 59.018 -0.211 0.000 1.731 644 C CB -0.131 27.451 27.740 -0.264 0.000 2.780 644 C HN 0.674 nan 8.230 nan 0.000 0.381 645 S N 1.957 117.652 115.700 -0.009 0.000 2.512 645 S HA 0.282 4.752 4.470 -0.000 0.000 0.291 645 S C -1.212 173.428 174.600 0.066 0.000 1.151 645 S CA -0.146 58.074 58.200 0.034 0.000 1.120 645 S CB -0.398 62.836 63.200 0.058 0.000 1.029 645 S HN 0.449 nan 8.310 nan 0.000 0.485 646 D N 3.266 123.677 120.400 0.018 0.000 2.533 646 D HA 0.072 4.712 4.640 -0.000 0.000 0.236 646 D C 0.786 177.094 176.300 0.013 0.000 1.137 646 D CA 0.500 54.515 54.000 0.024 0.000 0.867 646 D CB 0.507 41.316 40.800 0.015 0.000 1.170 646 D HN 0.505 nan 8.370 nan 0.000 0.474 647 S N 0.460 116.165 115.700 0.008 0.000 2.707 647 S HA 0.700 5.169 4.470 -0.000 0.000 0.276 647 S C -0.174 174.349 174.600 -0.129 0.000 1.179 647 S CA -0.955 57.165 58.200 -0.132 0.000 0.992 647 S CB 1.798 64.902 63.200 -0.159 0.000 1.030 647 S HN 0.447 nan 8.310 nan 0.000 0.554 648 A N 1.306 123.971 122.820 -0.258 0.000 2.938 648 A HA 0.618 4.938 4.320 -0.000 0.000 0.344 648 A C -2.222 175.321 177.584 -0.068 0.000 1.142 648 A CA -1.629 50.239 52.037 -0.282 0.000 0.841 648 A CB 0.140 18.725 19.000 -0.693 0.000 1.083 648 A HN 0.625 nan 8.150 nan 0.000 0.479 649 P HA -0.191 nan 4.420 nan 0.000 0.223 649 P C 1.364 178.626 177.300 -0.064 0.000 1.144 649 P CA 1.201 64.378 63.100 0.128 0.000 0.783 649 P CB 0.313 31.938 31.700 -0.125 0.000 0.771 650 E N -1.556 118.518 120.200 -0.209 0.000 2.418 650 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 650 E C 0.020 176.665 176.600 0.075 0.000 1.026 650 E CA 0.788 57.075 56.400 -0.188 0.000 0.862 650 E CB -0.803 28.790 29.700 -0.177 0.000 0.799 650 E HN 0.346 nan 8.360 nan 0.000 0.518 651 H N 1.730 120.813 119.070 0.021 0.000 2.620 651 H HA 0.286 4.842 4.556 -0.000 0.000 0.313 651 H C 1.104 176.501 175.328 0.115 0.000 1.075 651 H CA -0.466 55.590 56.048 0.015 0.000 1.397 651 H CB 1.064 30.620 29.762 -0.344 0.000 1.446 651 H HN 0.036 nan 8.280 nan 0.000 0.493 652 R N 1.810 122.464 120.500 0.256 0.000 2.134 652 R HA -0.171 4.169 4.340 -0.000 0.000 0.248 652 R C 1.514 177.881 176.300 0.112 0.000 1.143 652 R CA 1.540 57.725 56.100 0.143 0.000 0.957 652 R CB 0.017 30.370 30.300 0.088 0.000 0.867 652 R HN 0.451 nan 8.270 nan 0.000 0.441 653 M N -0.841 118.851 119.600 0.153 0.000 2.394 653 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 653 M C 1.886 178.393 176.300 0.346 0.000 1.073 653 M CA 1.111 56.407 55.300 -0.005 0.000 1.111 653 M CB -0.518 31.711 32.600 -0.618 0.000 1.401 653 M HN 0.144 nan 8.290 nan 0.000 0.448 654 F N 0.673 120.818 119.950 0.326 0.000 2.270 654 F HA 0.007 4.534 4.527 -0.000 0.000 0.295 654 F C 2.235 178.100 175.800 0.108 0.000 1.087 654 F CA 0.858 59.064 58.000 0.342 0.000 1.365 654 F CB 0.136 39.335 39.000 0.332 0.000 1.056 654 F HN 0.121 nan 8.300 nan 0.000 0.506 655 A N 0.614 123.440 122.820 0.010 0.000 1.908 655 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 655 A C 2.184 179.673 177.584 -0.158 0.000 1.181 655 A CA 2.030 53.983 52.037 -0.140 0.000 0.627 655 A CB -0.806 18.169 19.000 -0.042 0.000 0.818 655 A HN 0.471 nan 8.150 nan 0.000 0.445 656 K N -0.387 119.981 120.400 -0.053 0.000 2.057 656 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 656 K C 1.982 178.572 176.600 -0.017 0.000 1.050 656 K CA 1.369 57.646 56.287 -0.017 0.000 0.935 656 K CB -0.315 32.193 32.500 0.013 0.000 0.715 656 K HN 0.448 nan 8.250 nan 0.000 0.439 657 L N 1.125 122.333 121.223 -0.025 0.000 2.042 657 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 657 L C 2.162 178.801 176.870 -0.387 0.000 1.076 657 L CA 1.328 56.102 54.840 -0.109 0.000 0.749 657 L CB -0.184 41.880 42.059 0.008 0.000 0.893 657 L HN 0.266 nan 8.230 nan 0.000 0.432 658 I N -0.093 120.090 120.570 -0.644 0.000 2.142 658 I HA -0.314 3.856 4.170 -0.000 0.000 0.240 658 I C 2.776 178.552 176.117 -0.568 0.000 1.078 658 I CA 1.282 62.010 61.300 -0.952 0.000 1.343 658 I CB -0.643 36.723 38.000 -1.056 0.000 1.046 658 I HN 0.353 nan 8.210 nan 0.000 0.405 659 A N 0.451 123.086 122.820 -0.309 0.000 1.902 659 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 659 A C 1.929 179.482 177.584 -0.053 0.000 1.181 659 A CA 2.150 54.113 52.037 -0.123 0.000 0.623 659 A CB -0.611 18.365 19.000 -0.041 0.000 0.818 659 A HN 0.361 nan 8.150 nan 0.000 0.443 660 D N -0.725 119.661 120.400 -0.024 0.000 2.144 660 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 660 D C 2.250 178.564 176.300 0.023 0.000 0.978 660 D CA 1.439 55.485 54.000 0.076 0.000 0.833 660 D CB -0.324 40.629 40.800 0.256 0.000 0.961 660 D HN 0.411 nan 8.370 nan 0.000 0.470 661 S N -0.160 115.493 115.700 -0.078 0.000 2.348 661 S HA -0.079 4.391 4.470 -0.000 0.000 0.221 661 S C 2.094 176.762 174.600 0.113 0.000 1.033 661 S CA 0.651 58.855 58.200 0.006 0.000 1.010 661 S CB -0.318 62.922 63.200 0.066 0.000 0.891 661 S HN 0.174 nan 8.310 nan 0.000 0.442 662 L N 1.213 122.440 121.223 0.007 0.000 2.127 662 L HA -0.087 4.253 4.340 -0.000 0.000 0.211 662 L C 2.930 179.861 176.870 0.103 0.000 1.089 662 L CA 1.151 55.943 54.840 -0.080 0.000 0.757 662 L CB -0.674 41.194 42.059 -0.319 0.000 0.899 662 L HN 0.439 nan 8.230 nan 0.000 0.434 663 A N -0.436 122.443 122.820 0.098 0.000 1.933 663 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 663 A C 2.344 180.008 177.584 0.135 0.000 1.175 663 A CA 1.748 53.866 52.037 0.136 0.000 0.628 663 A CB -0.713 18.347 19.000 0.101 0.000 0.814 663 A HN 0.195 nan 8.150 nan 0.000 0.444 664 V N -2.133 117.809 119.914 0.047 0.000 2.307 664 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 664 V C 2.257 178.410 176.094 0.098 0.000 1.045 664 V CA 1.735 63.990 62.300 -0.074 0.000 1.024 664 V CB -1.033 30.584 31.823 -0.344 0.000 0.651 664 V HN 0.809 nan 8.190 nan 0.000 0.449 665 W N 0.261 121.759 121.300 0.330 0.000 2.363 665 W HA -0.164 4.496 4.660 -0.000 0.000 0.296 665 W C 2.597 179.453 176.519 0.562 0.000 1.212 665 W CA 1.503 59.160 57.345 0.519 0.000 1.260 665 W CB -0.782 28.998 29.460 0.535 0.000 1.131 665 W HN 0.131 nan 8.180 nan 0.000 0.530 666 T N -0.552 114.434 114.554 0.719 0.000 2.639 666 T HA -0.166 4.184 4.350 -0.000 0.000 0.261 666 T C 1.656 176.583 174.700 0.377 0.000 1.053 666 T CA 2.127 64.575 62.100 0.579 0.000 1.158 666 T CB -0.834 68.341 68.868 0.513 0.000 0.863 666 T HN 0.026 nan 8.240 nan 0.000 0.413 667 T N 2.092 116.808 114.554 0.271 0.000 2.732 667 T HA -0.073 4.277 4.350 -0.000 0.000 0.261 667 T C 1.644 176.443 174.700 0.165 0.000 1.040 667 T CA 1.089 63.294 62.100 0.175 0.000 1.145 667 T CB -0.352 68.580 68.868 0.108 0.000 0.866 667 T HN 0.324 nan 8.240 nan 0.000 0.427 668 D N -0.200 120.252 120.400 0.087 0.000 2.249 668 D HA 0.019 4.659 4.640 -0.000 0.000 0.205 668 D C 0.841 177.090 176.300 -0.085 0.000 0.962 668 D CA 0.890 54.833 54.000 -0.095 0.000 0.860 668 D CB 0.085 40.635 40.800 -0.418 0.000 0.955 668 D HN 0.455 nan 8.370 nan 0.000 0.505 669 Y N 0.217 120.772 120.300 0.425 0.000 2.500 669 Y HA 0.216 4.766 4.550 -0.000 0.000 0.246 669 Y C 0.217 176.538 175.900 0.701 0.000 1.146 669 Y CA -0.471 58.009 58.100 0.633 0.000 1.230 669 Y CB 0.382 39.232 38.460 0.650 0.000 1.214 669 Y HN -0.290 nan 8.280 nan 0.000 0.526 670 K N 0.879 121.625 120.400 0.578 0.000 3.156 670 K HA -0.186 4.134 4.320 -0.000 0.000 0.266 670 K C -0.700 176.069 176.600 0.283 0.000 0.966 670 K CA 0.190 56.656 56.287 0.299 0.000 0.719 670 K CB -1.382 31.103 32.500 -0.024 0.000 1.333 670 K HN 0.186 nan 8.250 nan 0.000 0.468 671 I N 1.262 122.043 120.570 0.351 0.000 2.474 671 I HA -0.003 4.167 4.170 -0.000 0.000 0.287 671 I C 1.567 177.717 176.117 0.055 0.000 1.048 671 I CA 0.139 61.533 61.300 0.157 0.000 1.383 671 I CB 1.041 39.079 38.000 0.062 0.000 1.412 671 I HN 0.187 nan 8.210 nan 0.000 0.531 672 D N 3.974 124.381 120.400 0.012 0.000 2.305 672 D HA 0.153 4.793 4.640 -0.000 0.000 0.206 672 D C 0.907 177.294 176.300 0.146 0.000 0.974 672 D CA 0.555 54.614 54.000 0.098 0.000 0.871 672 D CB 1.083 41.947 40.800 0.106 0.000 0.947 672 D HN 0.715 nan 8.370 nan 0.000 0.516 673 G N -0.243 108.523 108.800 -0.056 0.000 2.646 673 G HA2 0.495 4.455 3.960 -0.000 0.000 0.291 673 G HA3 0.495 4.455 3.960 -0.000 0.000 0.291 673 G C -1.837 172.837 174.900 -0.377 0.000 1.445 673 G CA -0.784 44.373 45.100 0.096 0.000 0.814 673 G HN -0.066 nan 8.290 nan 0.000 0.495 674 F N 0.444 120.503 119.950 0.181 0.000 2.540 674 F HA 0.655 5.181 4.527 -0.000 0.000 0.317 674 F C 0.327 175.830 175.800 -0.494 0.000 1.104 674 F CA -1.001 56.850 58.000 -0.249 0.000 0.913 674 F CB 2.624 41.260 39.000 -0.607 0.000 1.170 674 F HN 0.277 nan 8.300 nan 0.000 0.450 675 R N 3.783 123.989 120.500 -0.489 0.000 2.288 675 R HA 0.384 4.724 4.340 -0.000 0.000 0.326 675 R C -1.776 174.247 176.300 -0.463 0.000 0.959 675 R CA -0.528 55.093 56.100 -0.799 0.000 0.834 675 R CB 0.376 30.230 30.300 -0.744 0.000 1.157 675 R HN 0.541 nan 8.270 nan 0.000 0.470 676 F N 2.727 122.477 119.950 -0.334 0.000 2.445 676 F HA 0.106 4.633 4.527 -0.000 0.000 0.359 676 F C 1.014 176.736 175.800 -0.131 0.000 1.101 676 F CA -0.221 57.651 58.000 -0.213 0.000 1.177 676 F CB 0.625 39.458 39.000 -0.278 0.000 1.110 676 F HN 0.480 nan 8.300 nan 0.000 0.522 677 D N 3.508 123.954 120.400 0.076 0.000 2.389 677 D HA 0.185 4.824 4.640 -0.000 0.000 0.247 677 D C 0.376 176.749 176.300 0.121 0.000 1.128 677 D CA -0.041 53.998 54.000 0.065 0.000 0.884 677 D CB 0.555 41.447 40.800 0.153 0.000 1.194 677 D HN 0.583 nan 8.370 nan 0.000 0.441 678 L N 3.254 124.495 121.223 0.030 0.000 3.854 678 L HA -0.265 4.075 4.340 -0.000 0.000 0.460 678 L C 1.473 178.536 176.870 0.321 0.000 1.228 678 L CA 0.010 54.931 54.840 0.136 0.000 0.760 678 L CB -1.171 40.951 42.059 0.106 0.000 1.597 678 L HN 0.753 nan 8.230 nan 0.000 0.852 679 M N 0.557 120.273 119.600 0.193 0.000 2.267 679 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 679 M C 2.015 178.504 176.300 0.314 0.000 1.063 679 M CA 2.070 57.493 55.300 0.206 0.000 1.090 679 M CB 0.061 32.697 32.600 0.059 0.000 1.392 679 M HN 0.694 nan 8.290 nan 0.000 0.422 680 L N -2.443 118.969 121.223 0.315 0.000 2.551 680 L HA -0.072 4.268 4.340 -0.000 0.000 0.228 680 L C 0.896 177.901 176.870 0.225 0.000 1.153 680 L CA 0.800 55.808 54.840 0.280 0.000 0.851 680 L CB -1.101 41.123 42.059 0.276 0.000 0.959 680 L HN 0.194 nan 8.230 nan 0.000 0.451 681 Y N -0.295 120.166 120.300 0.269 0.000 2.490 681 Y HA 0.160 4.710 4.550 -0.000 0.000 0.281 681 Y C 0.455 176.470 175.900 0.191 0.000 1.174 681 Y CA -0.147 58.087 58.100 0.224 0.000 1.295 681 Y CB -0.203 38.335 38.460 0.131 0.000 1.062 681 Y HN 0.310 nan 8.280 nan 0.000 0.522 682 H N -0.709 118.509 119.070 0.248 0.000 2.499 682 H HA 0.319 4.874 4.556 -0.000 0.000 0.340 682 H C -2.391 172.864 175.328 -0.122 0.000 1.148 682 H CA -2.490 53.562 56.048 0.007 0.000 1.215 682 H CB 0.984 30.708 29.762 -0.063 0.000 1.529 682 H HN -0.161 nan 8.280 nan 0.000 0.510 683 P HA 0.011 nan 4.420 nan 0.000 0.275 683 P C 0.633 177.872 177.300 -0.102 0.000 1.227 683 P CA -0.314 62.520 63.100 -0.443 0.000 0.781 683 P CB 1.036 32.298 31.700 -0.729 0.000 0.906 684 K N 3.511 123.917 120.400 0.010 0.000 2.074 684 K HA -0.248 4.072 4.320 -0.000 0.000 0.209 684 K C 1.671 178.262 176.600 -0.016 0.000 1.048 684 K CA 2.045 58.338 56.287 0.011 0.000 0.926 684 K CB -0.620 31.906 32.500 0.043 0.000 0.713 684 K HN 0.445 nan 8.250 nan 0.000 0.444 685 A N 1.291 124.097 122.820 -0.022 0.000 1.933 685 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 685 A C 2.163 179.727 177.584 -0.034 0.000 1.175 685 A CA 1.574 53.599 52.037 -0.019 0.000 0.628 685 A CB -0.606 18.380 19.000 -0.022 0.000 0.814 685 A HN 0.527 nan 8.150 nan 0.000 0.444 686 Q N -0.247 119.507 119.800 -0.077 0.000 2.079 686 Q HA -0.129 4.210 4.340 -0.000 0.000 0.200 686 Q C 1.975 177.937 176.000 -0.065 0.000 0.974 686 Q CA 1.359 57.116 55.803 -0.076 0.000 0.840 686 Q CB -0.225 28.446 28.738 -0.111 0.000 0.898 686 Q HN 0.559 nan 8.270 nan 0.000 0.430 687 I N 1.267 121.774 120.570 -0.106 0.000 2.179 687 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 687 I C 2.533 178.674 176.117 0.040 0.000 1.088 687 I CA 0.964 62.170 61.300 -0.158 0.000 1.357 687 I CB -1.253 36.578 38.000 -0.283 0.000 1.051 687 I HN 0.229 nan 8.210 nan 0.000 0.409 688 L N -0.114 121.139 121.223 0.050 0.000 2.046 688 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 688 L C 2.765 179.723 176.870 0.147 0.000 1.077 688 L CA 1.483 56.409 54.840 0.143 0.000 0.747 688 L CB -0.641 41.483 42.059 0.107 0.000 0.896 688 L HN 0.242 nan 8.230 nan 0.000 0.432 689 S N -0.201 115.545 115.700 0.077 0.000 2.356 689 S HA -0.196 4.274 4.470 -0.000 0.000 0.223 689 S C 2.144 176.793 174.600 0.082 0.000 1.032 689 S CA 1.301 59.534 58.200 0.054 0.000 1.005 689 S CB -0.105 63.106 63.200 0.019 0.000 0.867 689 S HN 0.436 nan 8.310 nan 0.000 0.449 690 A N 0.153 123.046 122.820 0.123 0.000 1.933 690 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 690 A C 1.892 179.661 177.584 0.309 0.000 1.175 690 A CA 1.635 53.795 52.037 0.205 0.000 0.628 690 A CB -1.198 17.942 19.000 0.233 0.000 0.814 690 A HN 0.822 nan 8.150 nan 0.000 0.444 691 W N 0.984 122.283 121.300 -0.002 0.000 2.381 691 W HA -0.094 4.565 4.660 -0.000 0.000 0.301 691 W C 1.973 178.353 176.519 -0.231 0.000 1.205 691 W CA 1.544 58.614 57.345 -0.458 0.000 1.285 691 W CB -0.407 28.715 29.460 -0.563 0.000 1.133 691 W HN 0.523 nan 8.180 nan 0.000 0.521 692 E N -0.540 119.616 120.200 -0.074 0.000 2.085 692 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 692 E C 2.222 178.750 176.600 -0.121 0.000 0.994 692 E CA 1.530 57.827 56.400 -0.171 0.000 0.801 692 E CB -0.251 29.407 29.700 -0.071 0.000 0.743 692 E HN 0.265 nan 8.360 nan 0.000 0.453 693 R N 0.188 120.672 120.500 -0.028 0.000 2.075 693 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 693 R C 2.267 178.580 176.300 0.021 0.000 1.126 693 R CA 0.918 57.022 56.100 0.007 0.000 0.963 693 R CB -0.108 30.218 30.300 0.045 0.000 0.858 693 R HN 0.164 nan 8.270 nan 0.000 0.435 694 I N 1.261 121.867 120.570 0.060 0.000 2.439 694 I HA -0.184 3.986 4.170 -0.000 0.000 0.251 694 I C 1.820 177.954 176.117 0.029 0.000 1.139 694 I CA 1.324 62.701 61.300 0.127 0.000 1.438 694 I CB -0.808 37.394 38.000 0.337 0.000 1.085 694 I HN 0.114 nan 8.210 nan 0.000 0.427 695 K N 0.973 121.278 120.400 -0.158 0.000 2.360 695 K HA -0.067 4.253 4.320 -0.000 0.000 0.201 695 K C 2.049 178.581 176.600 -0.114 0.000 1.046 695 K CA 1.138 57.291 56.287 -0.224 0.000 0.945 695 K CB -0.036 32.156 32.500 -0.514 0.000 0.750 695 K HN 0.288 nan 8.250 nan 0.000 0.464 696 A N 0.729 123.504 122.820 -0.074 0.000 2.066 696 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 696 A C 1.901 179.486 177.584 0.001 0.000 1.157 696 A CA 0.902 52.916 52.037 -0.038 0.000 0.670 696 A CB -0.163 18.821 19.000 -0.027 0.000 0.804 696 A HN 0.135 nan 8.150 nan 0.000 0.453 697 L N -1.386 119.858 121.223 0.034 0.000 2.221 697 L HA 0.144 4.484 4.340 -0.000 0.000 0.202 697 L C 0.625 177.541 176.870 0.077 0.000 1.074 697 L CA 0.442 55.322 54.840 0.066 0.000 0.795 697 L CB 0.001 42.124 42.059 0.108 0.000 0.960 697 L HN 0.344 nan 8.230 nan 0.000 0.458 698 N N 0.044 118.800 118.700 0.094 0.000 2.577 698 N HA 0.168 4.908 4.740 -0.000 0.000 0.275 698 N C -2.166 173.387 175.510 0.071 0.000 1.091 698 N CA -1.827 51.286 53.050 0.106 0.000 0.843 698 N CB 1.727 40.323 38.487 0.182 0.000 1.295 698 N HN -0.192 nan 8.380 nan 0.000 0.530 699 P HA -0.025 nan 4.420 nan 0.000 0.223 699 P C -0.260 177.052 177.300 0.021 0.000 1.144 699 P CA 1.059 64.146 63.100 -0.022 0.000 0.783 699 P CB 0.552 32.237 31.700 -0.024 0.000 0.771 700 D N -0.835 119.624 120.400 0.098 0.000 2.402 700 D HA 0.127 4.767 4.640 -0.000 0.000 0.216 700 D C 0.762 177.233 176.300 0.284 0.000 1.128 700 D CA -0.611 53.489 54.000 0.166 0.000 0.833 700 D CB -0.163 40.717 40.800 0.134 0.000 0.971 700 D HN 0.170 nan 8.370 nan 0.000 0.503 701 I N 1.198 121.962 120.570 0.322 0.000 2.752 701 I HA -0.054 4.116 4.170 -0.000 0.000 0.287 701 I C -0.617 175.911 176.117 0.684 0.000 1.188 701 I CA 0.036 61.630 61.300 0.490 0.000 1.427 701 I CB 0.259 38.590 38.000 0.552 0.000 1.365 701 I HN -0.114 nan 8.210 nan 0.000 0.585 702 Y N 7.583 128.212 120.300 0.548 0.000 2.364 702 Y HA 0.565 5.115 4.550 -0.000 0.000 0.340 702 Y C -1.407 174.945 175.900 0.753 0.000 0.975 702 Y CA -0.982 57.419 58.100 0.502 0.000 1.089 702 Y CB 0.837 39.478 38.460 0.302 0.000 1.192 702 Y HN 0.355 nan 8.280 nan 0.000 0.454 703 F N 7.582 127.275 119.950 -0.428 0.000 2.495 703 F HA 0.605 5.132 4.527 -0.000 0.000 0.327 703 F C -0.788 174.759 175.800 -0.420 0.000 1.103 703 F CA -1.520 56.342 58.000 -0.230 0.000 0.949 703 F CB 1.234 40.033 39.000 -0.335 0.000 1.142 703 F HN 0.421 nan 8.300 nan 0.000 0.457 704 F N -0.188 119.681 119.950 -0.135 0.000 2.741 704 F HA 0.934 5.461 4.527 -0.000 0.000 0.313 704 F C -0.639 175.256 175.800 0.158 0.000 1.153 704 F CA -1.519 56.413 58.000 -0.114 0.000 0.931 704 F CB 1.408 40.289 39.000 -0.199 0.000 1.335 704 F HN 0.691 nan 8.300 nan 0.000 0.460 705 G N -0.190 108.740 108.800 0.216 0.000 2.554 705 G HA2 0.541 4.501 3.960 -0.000 0.000 0.306 705 G HA3 0.541 4.501 3.960 -0.000 0.000 0.306 705 G C -2.396 172.679 174.900 0.292 0.000 1.320 705 G CA -0.557 44.646 45.100 0.172 0.000 0.800 705 G HN 1.060 nan 8.290 nan 0.000 0.481 706 E N -2.233 117.919 120.200 -0.079 0.000 2.460 706 E HA 0.671 5.021 4.350 -0.000 0.000 0.277 706 E C 0.279 176.262 176.600 -1.028 0.000 1.010 706 E CA -0.015 55.951 56.400 -0.723 0.000 0.838 706 E CB 1.771 31.101 29.700 -0.618 0.000 1.448 706 E HN 1.512 nan 8.360 nan 0.000 0.462 707 G N -0.123 107.713 108.800 -1.607 0.000 1.876 707 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.059 707 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.059 707 G C -0.797 173.834 174.900 -0.448 0.000 0.755 707 G CA 0.107 44.787 45.100 -0.699 0.000 1.092 707 G HN 0.794 nan 8.290 nan 0.000 0.322 708 W N 0.502 121.870 121.300 0.114 0.000 1.432 708 W HA -0.227 4.433 4.660 -0.000 0.000 0.247 708 W C 1.140 177.707 176.519 0.081 0.000 1.009 708 W CA 0.712 58.109 57.345 0.087 0.000 0.410 708 W CB -1.438 28.093 29.460 0.118 0.000 2.021 708 W HN 0.712 nan 8.180 nan 0.000 1.167 709 D N 0.130 120.703 120.400 0.288 0.000 2.368 709 D HA 0.183 4.823 4.640 -0.000 0.000 0.218 709 D C 1.445 177.789 176.300 0.075 0.000 1.112 709 D CA 0.804 54.925 54.000 0.201 0.000 0.834 709 D CB -0.087 40.851 40.800 0.230 0.000 0.953 709 D HN 0.092 nan 8.370 nan 0.000 0.505 710 S N 1.462 117.167 115.700 0.009 0.000 3.992 710 S HA -0.510 3.960 4.470 -0.000 0.000 0.538 710 S C 1.260 175.677 174.600 -0.305 0.000 0.916 710 S CA 1.780 59.862 58.200 -0.197 0.000 3.389 710 S CB -1.395 61.758 63.200 -0.078 0.000 2.356 710 S HN 0.680 nan 8.310 nan 0.000 0.413 711 N N -2.497 116.078 118.700 -0.208 0.000 2.968 711 N HA -0.146 4.594 4.740 -0.000 0.000 0.199 711 N C 0.383 175.741 175.510 -0.254 0.000 0.935 711 N CA 1.291 54.233 53.050 -0.181 0.000 1.036 711 N CB -1.484 36.933 38.487 -0.117 0.000 1.008 711 N HN 0.573 nan 8.380 nan 0.000 0.568 712 Q N -0.339 119.237 119.800 -0.373 0.000 2.280 712 Q HA 0.341 4.681 4.340 -0.000 0.000 0.201 712 Q C 1.099 176.710 176.000 -0.648 0.000 0.890 712 Q CA 0.477 55.956 55.803 -0.540 0.000 0.947 712 Q CB 0.256 28.601 28.738 -0.655 0.000 1.081 712 Q HN 0.380 nan 8.270 nan 0.000 0.502 713 S N 2.234 117.707 115.700 -0.379 0.000 2.440 713 S HA -0.138 4.332 4.470 -0.000 0.000 0.238 713 S C 1.396 175.848 174.600 -0.246 0.000 1.010 713 S CA 1.426 59.461 58.200 -0.275 0.000 0.972 713 S CB -0.077 63.036 63.200 -0.144 0.000 0.774 713 S HN 0.571 nan 8.310 nan 0.000 0.501 714 D N 0.871 121.121 120.400 -0.250 0.000 2.277 714 D HA -0.093 4.547 4.640 -0.000 0.000 0.208 714 D C 1.670 177.864 176.300 -0.176 0.000 0.962 714 D CA 0.573 54.482 54.000 -0.152 0.000 0.865 714 D CB -0.162 40.581 40.800 -0.095 0.000 0.939 714 D HN 0.355 nan 8.370 nan 0.000 0.510 715 R N -0.572 119.671 120.500 -0.427 0.000 2.175 715 R HA 0.209 4.548 4.340 -0.000 0.000 0.202 715 R C 0.041 176.252 176.300 -0.148 0.000 1.018 715 R CA 0.418 56.256 56.100 -0.436 0.000 1.029 715 R CB 0.376 30.235 30.300 -0.735 0.000 0.959 715 R HN 0.253 nan 8.270 nan 0.000 0.480 716 F N -1.933 117.987 119.950 -0.051 0.000 2.842 716 F HA 0.296 4.823 4.527 -0.000 0.000 0.319 716 F C -1.195 174.589 175.800 -0.027 0.000 1.159 716 F CA -1.715 56.267 58.000 -0.029 0.000 0.902 716 F CB 0.845 39.827 39.000 -0.029 0.000 1.311 716 F HN -0.315 nan 8.300 nan 0.000 0.453 717 E N 2.987 123.369 120.200 0.303 0.000 2.265 717 E HA 0.353 4.703 4.350 -0.000 0.000 0.272 717 E C -0.106 176.683 176.600 0.316 0.000 1.067 717 E CA -0.481 56.035 56.400 0.193 0.000 0.900 717 E CB 0.480 30.249 29.700 0.115 0.000 1.017 717 E HN 0.652 nan 8.360 nan 0.000 0.431 718 I N 0.939 121.654 120.570 0.240 0.000 2.823 718 I HA 0.342 4.512 4.170 -0.000 0.000 0.290 718 I C 0.159 176.374 176.117 0.165 0.000 1.091 718 I CA -0.696 60.771 61.300 0.278 0.000 1.365 718 I CB 1.290 39.380 38.000 0.150 0.000 1.427 718 I HN 0.443 nan 8.210 nan 0.000 0.583 719 A N 4.792 127.713 122.820 0.168 0.000 3.056 719 A HA 0.422 4.742 4.320 -0.000 0.000 0.274 719 A C 0.522 178.203 177.584 0.162 0.000 1.661 719 A CA -0.188 51.915 52.037 0.111 0.000 1.363 719 A CB -1.262 17.772 19.000 0.058 0.000 1.139 719 A HN 0.851 nan 8.150 nan 0.000 0.598 720 S N 0.641 116.400 115.700 0.100 0.000 2.745 720 S HA 0.370 4.840 4.470 -0.000 0.000 0.292 720 S C 0.850 175.347 174.600 -0.172 0.000 1.133 720 S CA -0.541 57.688 58.200 0.047 0.000 0.998 720 S CB 0.751 63.932 63.200 -0.030 0.000 1.087 720 S HN 0.576 nan 8.310 nan 0.000 0.551 721 Q N -0.043 119.401 119.800 -0.593 0.000 2.061 721 Q HA -0.084 4.256 4.340 -0.000 0.000 0.204 721 Q C 1.940 177.597 176.000 -0.572 0.000 0.984 721 Q CA 1.996 57.257 55.803 -0.904 0.000 0.846 721 Q CB -0.581 27.074 28.738 -1.805 0.000 0.902 721 Q HN 0.715 nan 8.270 nan 0.000 0.421 722 I N 0.993 121.310 120.570 -0.422 0.000 2.142 722 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 722 I C 1.695 177.768 176.117 -0.073 0.000 1.078 722 I CA 0.893 62.087 61.300 -0.178 0.000 1.343 722 I CB -0.360 37.565 38.000 -0.126 0.000 1.046 722 I HN 0.244 nan 8.210 nan 0.000 0.405 723 N N 0.853 119.514 118.700 -0.064 0.000 2.381 723 N HA -0.073 4.667 4.740 -0.000 0.000 0.182 723 N C 1.641 177.154 175.510 0.006 0.000 1.025 723 N CA 1.050 54.093 53.050 -0.012 0.000 0.888 723 N CB -0.163 38.329 38.487 0.008 0.000 0.965 723 N HN 0.375 nan 8.380 nan 0.000 0.438 724 L N 0.480 121.699 121.223 -0.007 0.000 2.591 724 L HA 0.100 4.439 4.340 -0.000 0.000 0.228 724 L C 0.924 177.823 176.870 0.048 0.000 1.133 724 L CA -0.088 54.763 54.840 0.018 0.000 0.880 724 L CB -0.058 42.011 42.059 0.016 0.000 1.033 724 L HN -0.002 nan 8.230 nan 0.000 0.450 725 K N 1.026 121.462 120.400 0.059 0.000 2.511 725 K HA 0.050 4.370 4.320 -0.000 0.000 0.280 725 K C 1.207 177.854 176.600 0.078 0.000 1.008 725 K CA 0.965 57.309 56.287 0.094 0.000 1.050 725 K CB 0.280 32.837 32.500 0.096 0.000 0.889 725 K HN 0.234 nan 8.250 nan 0.000 0.484 726 G N 2.554 111.404 108.800 0.085 0.000 2.184 726 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.264 726 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.264 726 G C 0.740 175.696 174.900 0.093 0.000 0.975 726 G CA 1.022 46.172 45.100 0.082 0.000 0.642 726 G HN 0.807 nan 8.290 nan 0.000 0.536 727 T N -2.632 111.973 114.554 0.085 0.000 3.043 727 T HA 0.403 4.752 4.350 -0.000 0.000 0.263 727 T C 2.520 177.293 174.700 0.121 0.000 1.094 727 T CA 1.828 63.990 62.100 0.103 0.000 1.127 727 T CB 0.144 69.048 68.868 0.061 0.000 0.905 727 T HN 2.222 nan 8.240 nan 0.000 0.490 728 G N 1.128 109.966 108.800 0.063 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 -0.041 174.716 174.900 -0.237 0.000 0.986 728 G CA -0.076 45.050 45.100 0.043 0.000 0.643 728 G HN 0.541 nan 8.290 nan 0.000 0.522 729 I N 2.306 122.708 120.570 -0.279 0.000 2.371 729 I HA 0.490 4.660 4.170 -0.000 0.000 0.290 729 I C 1.357 177.418 176.117 -0.094 0.000 1.028 729 I CA -0.119 60.971 61.300 -0.350 0.000 1.345 729 I CB 0.567 38.410 38.000 -0.262 0.000 1.407 729 I HN 0.144 nan 8.210 nan 0.000 0.501 730 G N 4.645 113.392 108.800 -0.087 0.000 2.507 730 G HA2 0.576 4.536 3.960 -0.000 0.000 0.271 730 G HA3 0.576 4.536 3.960 -0.000 0.000 0.271 730 G C -0.328 174.718 174.900 0.243 0.000 1.189 730 G CA -0.152 45.027 45.100 0.132 0.000 0.859 730 G HN 0.680 nan 8.290 nan 0.000 0.542 731 T N -1.776 112.962 114.554 0.306 0.000 2.933 731 T HA 0.532 4.882 4.350 -0.000 0.000 0.305 731 T C -0.609 174.393 174.700 0.503 0.000 1.092 731 T CA -0.794 61.605 62.100 0.499 0.000 1.008 731 T CB 1.230 70.392 68.868 0.489 0.000 1.102 731 T HN 0.235 nan 8.240 nan 0.000 0.469 732 F N 2.060 122.360 119.950 0.583 0.000 2.529 732 F HA 0.422 4.948 4.527 -0.000 0.000 0.365 732 F C 1.415 177.620 175.800 0.673 0.000 1.102 732 F CA 0.288 58.573 58.000 0.475 0.000 1.271 732 F CB 0.944 40.075 39.000 0.219 0.000 1.120 732 F HN 0.686 nan 8.300 nan 0.000 0.579 733 S N 2.111 118.202 115.700 0.652 0.000 2.442 733 S HA 0.213 4.683 4.470 -0.000 0.000 0.297 733 S C 0.359 175.181 174.600 0.370 0.000 1.131 733 S CA -0.989 57.488 58.200 0.462 0.000 1.092 733 S CB 0.539 63.863 63.200 0.206 0.000 0.998 733 S HN 0.604 nan 8.310 nan 0.000 0.478 734 D N 4.157 124.721 120.400 0.273 0.000 2.349 734 D HA 0.109 4.749 4.640 -0.000 0.000 0.214 734 D C 1.393 177.605 176.300 -0.146 0.000 1.063 734 D CA -0.004 54.092 54.000 0.161 0.000 0.847 734 D CB 0.045 41.093 40.800 0.414 0.000 0.933 734 D HN 0.299 nan 8.370 nan 0.000 0.513 735 R N 0.671 120.933 120.500 -0.395 0.000 2.070 735 R HA 0.119 4.459 4.340 -0.000 0.000 0.227 735 R C 2.301 178.467 176.300 -0.224 0.000 1.147 735 R CA 0.837 56.590 56.100 -0.578 0.000 0.924 735 R CB -1.214 28.785 30.300 -0.503 0.000 0.827 735 R HN 0.240 nan 8.270 nan 0.000 0.431 736 L N 0.822 121.948 121.223 -0.161 0.000 2.083 736 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 736 L C 2.568 179.386 176.870 -0.088 0.000 1.083 736 L CA 1.497 56.275 54.840 -0.103 0.000 0.752 736 L CB -0.234 41.779 42.059 -0.076 0.000 0.899 736 L HN 0.170 nan 8.230 nan 0.000 0.433 737 R N -0.045 120.370 120.500 -0.143 0.000 2.115 737 R HA -0.249 4.091 4.340 -0.000 0.000 0.239 737 R C 1.851 178.107 176.300 -0.074 0.000 1.133 737 R CA 2.548 58.520 56.100 -0.214 0.000 0.935 737 R CB -0.524 29.494 30.300 -0.471 0.000 0.853 737 R HN 0.435 nan 8.270 nan 0.000 0.433 738 D N -0.051 120.352 120.400 0.005 0.000 2.144 738 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 738 D C 1.741 178.087 176.300 0.077 0.000 0.984 738 D CA 1.485 55.542 54.000 0.095 0.000 0.834 738 D CB -0.296 40.648 40.800 0.240 0.000 0.955 738 D HN 0.443 nan 8.370 nan 0.000 0.465 739 A N 0.320 123.168 122.820 0.046 0.000 1.933 739 A HA -0.116 4.203 4.320 -0.000 0.000 0.218 739 A C 2.438 180.036 177.584 0.023 0.000 1.175 739 A CA 1.216 53.267 52.037 0.022 0.000 0.628 739 A CB -0.500 18.480 19.000 -0.034 0.000 0.814 739 A HN 0.164 nan 8.150 nan 0.000 0.444 740 V N -0.663 119.260 119.914 0.016 0.000 2.446 740 V HA -0.116 4.004 4.120 -0.000 0.000 0.244 740 V C 2.547 178.670 176.094 0.049 0.000 1.039 740 V CA 1.800 64.120 62.300 0.033 0.000 1.045 740 V CB -0.694 31.145 31.823 0.027 0.000 0.681 740 V HN 0.480 nan 8.190 nan 0.000 0.459 741 R N 0.208 120.734 120.500 0.044 0.000 2.090 741 R HA 0.271 4.610 4.340 -0.000 0.000 0.228 741 R C 1.019 177.360 176.300 0.067 0.000 1.110 741 R CA 0.874 57.010 56.100 0.060 0.000 0.973 741 R CB -0.166 30.171 30.300 0.062 0.000 0.869 741 R HN 0.587 nan 8.270 nan 0.000 0.440 742 G N -0.705 108.135 108.800 0.066 0.000 2.712 742 G HA2 0.220 4.180 3.960 -0.000 0.000 0.686 742 G HA3 0.220 4.180 3.960 -0.000 0.000 0.686 742 G C 0.171 175.115 174.900 0.073 0.000 1.181 742 G CA -0.512 44.629 45.100 0.068 0.000 0.762 742 G HN 0.607 nan 8.290 nan 0.000 0.641 743 G N -0.015 108.826 108.800 0.069 0.000 2.575 743 G HA2 0.501 4.460 3.960 -0.000 0.000 0.267 743 G HA3 0.501 4.460 3.960 -0.000 0.000 0.267 743 G C 1.138 176.093 174.900 0.093 0.000 1.264 743 G CA 1.121 46.261 45.100 0.067 0.000 0.935 743 G HN 2.859 nan 8.290 nan 0.000 0.568 744 G N -1.926 106.938 108.800 0.106 0.000 2.695 744 G HA2 0.789 4.749 3.960 -0.000 0.000 0.290 744 G HA3 0.789 4.749 3.960 -0.000 0.000 0.290 744 G C -1.409 173.616 174.900 0.208 0.000 1.410 744 G CA 0.303 45.499 45.100 0.161 0.000 0.844 744 G HN 0.719 nan 8.290 nan 0.000 0.478 745 P HA -0.037 nan 4.420 nan 0.000 0.228 745 P C 0.656 178.036 177.300 0.134 0.000 1.151 745 P CA 0.815 64.034 63.100 0.199 0.000 0.770 745 P CB 0.106 31.910 31.700 0.174 0.000 0.786 746 F N -0.119 119.846 119.950 0.024 0.000 2.776 746 F HA 0.150 4.677 4.527 -0.000 0.000 0.300 746 F C 0.908 176.702 175.800 -0.010 0.000 1.116 746 F CA -0.580 57.425 58.000 0.007 0.000 1.375 746 F CB -0.858 38.145 39.000 0.005 0.000 1.109 746 F HN -0.194 nan 8.300 nan 0.000 0.585 747 D N 0.819 121.309 120.400 0.151 0.000 2.443 747 D HA 0.265 4.905 4.640 -0.000 0.000 0.239 747 D C 0.492 176.782 176.300 -0.017 0.000 1.136 747 D CA 0.426 54.454 54.000 0.047 0.000 0.879 747 D CB 0.909 41.717 40.800 0.012 0.000 1.195 747 D HN 0.173 nan 8.370 nan 0.000 0.443 748 S N -0.344 115.327 115.700 -0.048 0.000 2.596 748 S HA 0.736 5.206 4.470 -0.000 0.000 0.270 748 S C 0.462 174.999 174.600 -0.106 0.000 1.155 748 S CA -0.117 58.033 58.200 -0.084 0.000 0.827 748 S CB 1.787 64.958 63.200 -0.049 0.000 1.130 748 S HN 0.792 nan 8.310 nan 0.000 0.467 749 G N 2.001 110.726 108.800 -0.125 0.000 2.596 749 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.295 749 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.295 749 G C 0.239 175.058 174.900 -0.135 0.000 1.240 749 G CA 0.847 45.883 45.100 -0.107 0.000 0.985 749 G HN 0.829 nan 8.290 nan 0.000 0.555 750 D N 0.774 121.123 120.400 -0.085 0.000 2.182 750 D HA 0.061 4.701 4.640 -0.000 0.000 0.201 750 D C 2.746 178.995 176.300 -0.084 0.000 0.986 750 D CA 2.038 55.994 54.000 -0.074 0.000 0.847 750 D CB -0.771 40.005 40.800 -0.041 0.000 0.942 750 D HN 0.847 nan 8.370 nan 0.000 0.467 751 A N 0.580 123.351 122.820 -0.081 0.000 1.978 751 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 751 A C 2.315 179.840 177.584 -0.099 0.000 1.170 751 A CA 0.842 52.840 52.037 -0.066 0.000 0.636 751 A CB -0.729 18.245 19.000 -0.044 0.000 0.810 751 A HN 0.246 nan 8.150 nan 0.000 0.448 752 L N -1.534 119.571 121.223 -0.197 0.000 2.131 752 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 752 L C 2.757 179.507 176.870 -0.201 0.000 1.092 752 L CA 1.786 56.434 54.840 -0.320 0.000 0.759 752 L CB -0.293 41.281 42.059 -0.809 0.000 0.903 752 L HN 0.484 nan 8.230 nan 0.000 0.435 753 R N -0.572 119.848 120.500 -0.133 0.000 2.128 753 R HA -0.045 4.294 4.340 -0.000 0.000 0.211 753 R C 2.262 178.560 176.300 -0.003 0.000 1.067 753 R CA 0.455 56.542 56.100 -0.021 0.000 1.010 753 R CB 0.102 30.402 30.300 0.001 0.000 0.922 753 R HN 0.334 nan 8.270 nan 0.000 0.457 754 Q N 0.372 120.161 119.800 -0.018 0.000 2.124 754 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 754 Q C 0.011 176.017 176.000 0.009 0.000 0.977 754 Q CA 0.885 56.686 55.803 -0.002 0.000 0.850 754 Q CB -0.035 28.698 28.738 -0.009 0.000 0.901 754 Q HN 0.223 nan 8.270 nan 0.000 0.429 755 N N 2.417 121.121 118.700 0.005 0.000 3.050 755 N HA 0.047 4.787 4.740 -0.000 0.000 0.289 755 N C -0.752 174.781 175.510 0.037 0.000 1.209 755 N CA 0.337 53.401 53.050 0.022 0.000 1.154 755 N CB 0.206 38.705 38.487 0.020 0.000 1.444 755 N HN 0.293 nan 8.380 nan 0.000 0.529 756 Q N -0.181 119.644 119.800 0.042 0.000 2.394 756 Q HA 0.420 4.760 4.340 -0.000 0.000 0.248 756 Q C 0.858 176.894 176.000 0.061 0.000 0.992 756 Q CA -0.147 55.688 55.803 0.053 0.000 0.888 756 Q CB 0.937 29.709 28.738 0.057 0.000 1.257 756 Q HN 0.474 nan 8.270 nan 0.000 0.462 757 G N -0.480 108.360 108.800 0.067 0.000 2.735 757 G HA2 0.347 4.307 3.960 -0.000 0.000 0.301 757 G HA3 0.347 4.307 3.960 -0.000 0.000 0.301 757 G C 0.592 175.544 174.900 0.086 0.000 1.279 757 G CA -0.703 44.438 45.100 0.069 0.000 1.019 757 G HN 0.461 nan 8.290 nan 0.000 0.497 758 V N 0.837 120.798 119.914 0.078 0.000 2.392 758 V HA -0.105 4.015 4.120 -0.000 0.000 0.249 758 V C 2.939 179.129 176.094 0.160 0.000 1.059 758 V CA 2.561 64.918 62.300 0.095 0.000 1.051 758 V CB -0.761 31.096 31.823 0.056 0.000 0.658 758 V HN 0.838 nan 8.190 nan 0.000 0.455 759 G N -0.268 108.611 108.800 0.131 0.000 2.534 759 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.217 759 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.217 759 G C 1.312 176.279 174.900 0.112 0.000 1.128 759 G CA 1.017 46.206 45.100 0.148 0.000 0.784 759 G HN 0.676 nan 8.290 nan 0.000 0.542 760 S N -1.264 114.491 115.700 0.092 0.000 2.664 760 S HA 0.463 4.933 4.470 -0.000 0.000 0.245 760 S C 1.241 175.906 174.600 0.108 0.000 1.019 760 S CA 0.516 58.723 58.200 0.011 0.000 0.996 760 S CB 0.426 63.618 63.200 -0.013 0.000 0.878 760 S HN 1.345 nan 8.310 nan 0.000 0.493 761 G N 1.127 110.108 108.800 0.303 0.000 2.142 761 G HA2 -0.030 3.929 3.960 -0.000 0.000 0.225 761 G HA3 -0.030 3.929 3.960 -0.000 0.000 0.225 761 G C 0.272 175.281 174.900 0.182 0.000 1.015 761 G CA -0.365 44.950 45.100 0.358 0.000 0.716 761 G HN 1.325 nan 8.290 nan 0.000 0.508 762 A N -0.517 122.382 122.820 0.132 0.000 2.580 762 A HA 0.573 4.893 4.320 -0.000 0.000 0.244 762 A C 2.245 179.874 177.584 0.074 0.000 1.045 762 A CA 2.297 54.386 52.037 0.087 0.000 0.761 762 A CB -0.179 18.864 19.000 0.073 0.000 0.962 762 A HN 2.509 nan 8.150 nan 0.000 0.512 763 G N 1.066 109.903 108.800 0.062 0.000 3.548 763 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.224 763 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.224 763 G C 1.418 176.347 174.900 0.048 0.000 1.351 763 G CA 1.271 46.399 45.100 0.047 0.000 0.905 763 G HN 2.139 nan 8.290 nan 0.000 0.561 764 V N -1.733 118.213 119.914 0.053 0.000 2.667 764 V HA 0.550 4.670 4.120 -0.000 0.000 0.252 764 V C 1.402 177.549 176.094 0.088 0.000 1.065 764 V CA 2.216 64.543 62.300 0.044 0.000 1.083 764 V CB 0.238 32.057 31.823 -0.007 0.000 0.692 764 V HN 1.021 nan 8.190 nan 0.000 0.468 765 L N 2.818 124.122 121.223 0.136 0.000 2.511 765 L HA 0.570 4.910 4.340 -0.000 0.000 0.252 765 L C -2.621 174.316 176.870 0.111 0.000 1.542 765 L CA -2.102 52.832 54.840 0.156 0.000 0.822 765 L CB 1.316 43.544 42.059 0.281 0.000 1.050 765 L HN 0.106 nan 8.230 nan 0.000 0.516 766 P HA 0.141 nan 4.420 nan 0.000 0.268 766 P C -0.634 176.695 177.300 0.049 0.000 1.205 766 P CA -0.015 63.120 63.100 0.058 0.000 0.771 766 P CB 0.813 32.541 31.700 0.046 0.000 0.858 767 N N 1.320 120.044 118.700 0.040 0.000 2.418 767 N HA 0.031 4.771 4.740 -0.000 0.000 0.283 767 N C 1.110 176.637 175.510 0.028 0.000 1.267 767 N CA -0.540 52.530 53.050 0.032 0.000 0.975 767 N CB -0.040 38.464 38.487 0.029 0.000 1.167 767 N HN 0.399 nan 8.380 nan 0.000 0.581 768 E N -0.309 119.906 120.200 0.025 0.000 2.418 768 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 768 E C 0.867 177.477 176.600 0.017 0.000 1.026 768 E CA 0.962 57.375 56.400 0.021 0.000 0.862 768 E CB -0.371 29.341 29.700 0.020 0.000 0.799 768 E HN 0.713 nan 8.360 nan 0.000 0.518 769 L N 0.283 121.515 121.223 0.016 0.000 2.537 769 L HA 0.153 4.493 4.340 -0.000 0.000 0.224 769 L C 1.527 178.402 176.870 0.009 0.000 1.065 769 L CA 0.117 54.963 54.840 0.010 0.000 0.860 769 L CB 0.093 42.155 42.059 0.005 0.000 1.086 769 L HN -0.046 nan 8.230 nan 0.000 0.482 770 T N 0.105 114.668 114.554 0.015 0.000 2.903 770 T HA 0.024 4.374 4.350 -0.000 0.000 0.314 770 T C 1.097 175.806 174.700 0.015 0.000 1.078 770 T CA 0.755 62.865 62.100 0.016 0.000 1.114 770 T CB 0.674 69.556 68.868 0.024 0.000 0.987 770 T HN 0.403 nan 8.240 nan 0.000 0.548 771 T N 2.365 116.927 114.554 0.013 0.000 3.091 771 T HA 0.325 4.675 4.350 -0.000 0.000 0.277 771 T C 0.669 175.377 174.700 0.014 0.000 0.996 771 T CA -0.460 61.647 62.100 0.011 0.000 0.897 771 T CB -0.288 68.584 68.868 0.006 0.000 1.109 771 T HN 0.488 nan 8.240 nan 0.000 0.534 772 L N 3.873 125.108 121.223 0.020 0.000 2.578 772 L HA 0.217 4.557 4.340 -0.000 0.000 0.279 772 L C 1.025 177.910 176.870 0.024 0.000 1.227 772 L CA -0.215 54.640 54.840 0.025 0.000 0.900 772 L CB 0.335 42.415 42.059 0.035 0.000 1.144 772 L HN 0.482 nan 8.230 nan 0.000 0.496 773 S N 1.076 116.789 115.700 0.022 0.000 2.693 773 S HA 0.211 4.681 4.470 -0.000 0.000 0.276 773 S C 0.617 175.232 174.600 0.025 0.000 1.192 773 S CA -0.958 57.254 58.200 0.019 0.000 0.994 773 S CB 1.490 64.697 63.200 0.012 0.000 1.012 773 S HN 0.581 nan 8.310 nan 0.000 0.550 774 D N 0.765 121.178 120.400 0.021 0.000 2.144 774 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 774 D C 1.364 177.680 176.300 0.028 0.000 0.984 774 D CA 1.667 55.680 54.000 0.022 0.000 0.834 774 D CB -0.503 40.306 40.800 0.015 0.000 0.955 774 D HN 0.840 nan 8.370 nan 0.000 0.465 775 D N 0.519 120.934 120.400 0.024 0.000 2.117 775 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 775 D C 1.993 178.325 176.300 0.054 0.000 0.987 775 D CA 1.098 55.116 54.000 0.030 0.000 0.829 775 D CB 0.159 40.966 40.800 0.013 0.000 0.961 775 D HN 0.136 nan 8.370 nan 0.000 0.460 776 Q N -0.267 119.563 119.800 0.049 0.000 2.119 776 Q HA -0.058 4.282 4.340 -0.000 0.000 0.201 776 Q C 2.276 178.338 176.000 0.103 0.000 0.972 776 Q CA 1.230 57.080 55.803 0.078 0.000 0.847 776 Q CB -0.129 28.639 28.738 0.050 0.000 0.903 776 Q HN 0.368 nan 8.270 nan 0.000 0.433 777 A N 1.338 124.199 122.820 0.067 0.000 1.902 777 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 777 A C 1.979 179.592 177.584 0.048 0.000 1.181 777 A CA 1.230 53.300 52.037 0.056 0.000 0.623 777 A CB -0.338 18.688 19.000 0.042 0.000 0.818 777 A HN 0.192 nan 8.150 nan 0.000 0.443 778 R N -1.763 118.767 120.500 0.051 0.000 2.148 778 R HA -0.117 4.223 4.340 -0.000 0.000 0.227 778 R C 2.145 178.475 176.300 0.051 0.000 1.103 778 R CA 1.333 57.455 56.100 0.036 0.000 0.983 778 R CB -0.415 29.905 30.300 0.033 0.000 0.874 778 R HN 0.804 nan 8.270 nan 0.000 0.451 779 H N 1.015 120.086 119.070 0.000 0.000 2.389 779 H HA -0.002 4.554 4.556 -0.000 0.000 0.299 779 H C 1.788 177.121 175.328 0.008 0.000 1.081 779 H CA 1.390 57.440 56.048 0.004 0.000 1.345 779 H CB -0.095 29.674 29.762 0.012 0.000 1.393 779 H HN 0.050 nan 8.280 nan 0.000 0.520 780 L N -0.346 120.827 121.223 -0.083 0.000 2.083 780 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 780 L C 2.785 179.577 176.870 -0.129 0.000 1.083 780 L CA 0.984 55.751 54.840 -0.122 0.000 0.752 780 L CB -0.739 41.315 42.059 -0.008 0.000 0.899 780 L HN 0.418 nan 8.230 nan 0.000 0.433 781 A N -0.190 122.578 122.820 -0.087 0.000 1.972 781 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 781 A C 1.895 179.384 177.584 -0.157 0.000 1.169 781 A CA 1.828 53.809 52.037 -0.093 0.000 0.635 781 A CB -0.412 18.553 19.000 -0.057 0.000 0.810 781 A HN 0.327 nan 8.150 nan 0.000 0.446 782 D N 0.065 120.364 120.400 -0.169 0.000 2.117 782 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 782 D C 1.921 178.085 176.300 -0.227 0.000 0.982 782 D CA 0.977 54.863 54.000 -0.189 0.000 0.828 782 D CB -0.313 40.415 40.800 -0.120 0.000 0.967 782 D HN 0.440 nan 8.370 nan 0.000 0.464 783 L N 0.485 121.549 121.223 -0.264 0.000 2.083 783 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 783 L C 2.407 179.165 176.870 -0.187 0.000 1.083 783 L CA 1.059 55.764 54.840 -0.224 0.000 0.752 783 L CB -0.461 41.462 42.059 -0.227 0.000 0.899 783 L HN 0.039 nan 8.230 nan 0.000 0.433 784 T N -0.925 113.528 114.554 -0.168 0.000 2.737 784 T HA -0.139 4.211 4.350 -0.000 0.000 0.265 784 T C 2.038 176.640 174.700 -0.164 0.000 1.038 784 T CA 1.022 63.045 62.100 -0.128 0.000 1.144 784 T CB -0.116 68.704 68.868 -0.081 0.000 0.866 784 T HN 0.262 nan 8.240 nan 0.000 0.434 785 R N 0.334 120.663 120.500 -0.285 0.000 2.081 785 R HA -0.008 4.332 4.340 -0.000 0.000 0.235 785 R C 2.400 178.424 176.300 -0.460 0.000 1.131 785 R CA 0.967 56.732 56.100 -0.559 0.000 0.960 785 R CB -0.632 28.979 30.300 -1.148 0.000 0.856 785 R HN 0.214 nan 8.270 nan 0.000 0.436 786 L N 0.521 121.533 121.223 -0.352 0.000 2.042 786 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 786 L C 2.084 178.814 176.870 -0.234 0.000 1.076 786 L CA 2.160 56.845 54.840 -0.259 0.000 0.749 786 L CB -0.969 40.992 42.059 -0.163 0.000 0.893 786 L HN 0.194 nan 8.230 nan 0.000 0.432 787 G N -0.967 107.722 108.800 -0.184 0.000 2.408 787 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 787 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 787 G C 1.534 176.374 174.900 -0.099 0.000 1.150 787 G CA 0.868 45.882 45.100 -0.144 0.000 0.776 787 G HN 0.427 nan 8.290 nan 0.000 0.542 788 M N 0.792 120.365 119.600 -0.046 0.000 2.374 788 M HA 0.069 4.549 4.480 -0.000 0.000 0.264 788 M C 2.385 178.679 176.300 -0.010 0.000 1.067 788 M CA 0.994 56.312 55.300 0.030 0.000 1.103 788 M CB 0.118 32.809 32.600 0.153 0.000 1.402 788 M HN 0.288 nan 8.290 nan 0.000 0.444 789 A N -0.322 122.430 122.820 -0.114 0.000 2.415 789 A HA 0.493 4.813 4.320 -0.000 0.000 0.248 789 A C 1.459 178.865 177.584 -0.297 0.000 1.299 789 A CA 0.491 52.328 52.037 -0.334 0.000 0.899 789 A CB -0.605 17.823 19.000 -0.954 0.000 0.997 789 A HN 0.614 nan 8.150 nan 0.000 0.506 790 G N -0.161 108.528 108.800 -0.186 0.000 2.157 790 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.248 790 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.248 790 G C 0.344 175.122 174.900 -0.203 0.000 0.979 790 G CA 0.440 45.447 45.100 -0.155 0.000 0.650 790 G HN 1.313 nan 8.290 nan 0.000 0.529 791 N N -1.048 117.509 118.700 -0.238 0.000 2.714 791 N HA -0.165 4.575 4.740 -0.000 0.000 0.252 791 N C 0.321 175.655 175.510 -0.292 0.000 1.014 791 N CA 1.272 54.150 53.050 -0.288 0.000 0.735 791 N CB -1.202 37.052 38.487 -0.387 0.000 0.924 791 N HN 0.827 nan 8.380 nan 0.000 0.540 792 L N -0.266 120.867 121.223 -0.151 0.000 2.371 792 L HA 0.379 4.719 4.340 -0.000 0.000 0.272 792 L C 1.818 178.691 176.870 0.004 0.000 1.124 792 L CA -0.003 54.805 54.840 -0.054 0.000 0.816 792 L CB 0.742 42.838 42.059 0.061 0.000 1.129 792 L HN 0.275 nan 8.230 nan 0.000 0.448 793 A N 1.528 124.353 122.820 0.008 0.000 1.933 793 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 793 A C 1.362 178.986 177.584 0.066 0.000 1.175 793 A CA 1.435 53.497 52.037 0.041 0.000 0.628 793 A CB -0.255 18.777 19.000 0.054 0.000 0.814 793 A HN 0.833 nan 8.150 nan 0.000 0.444 794 D N -1.904 118.542 120.400 0.078 0.000 2.340 794 D HA 0.176 4.816 4.640 -0.000 0.000 0.217 794 D C -0.072 176.280 176.300 0.086 0.000 1.081 794 D CA -0.272 53.769 54.000 0.068 0.000 0.842 794 D CB -0.195 40.634 40.800 0.047 0.000 0.934 794 D HN 0.400 nan 8.370 nan 0.000 0.511 795 F N 1.667 121.620 119.950 0.004 0.000 2.538 795 F HA 0.107 4.634 4.527 -0.000 0.000 0.371 795 F C 0.117 175.933 175.800 0.025 0.000 1.087 795 F CA -0.310 57.703 58.000 0.021 0.000 1.250 795 F CB 0.670 39.688 39.000 0.029 0.000 1.110 795 F HN -0.342 nan 8.300 nan 0.000 0.570 796 V N 7.551 127.086 119.914 -0.631 0.000 2.394 796 V HA 0.454 4.574 4.120 -0.000 0.000 0.282 796 V C -0.364 175.511 176.094 -0.366 0.000 1.031 796 V CA -0.574 61.509 62.300 -0.362 0.000 0.881 796 V CB 0.897 32.555 31.823 -0.274 0.000 0.982 796 V HN 0.691 nan 8.190 nan 0.000 0.451 797 L N 3.961 125.150 121.223 -0.057 0.000 2.403 797 L HA 0.757 5.097 4.340 -0.000 0.000 0.253 797 L C -0.916 175.973 176.870 0.032 0.000 1.045 797 L CA -0.958 53.918 54.840 0.061 0.000 0.845 797 L CB 1.402 43.583 42.059 0.203 0.000 1.447 797 L HN 0.227 nan 8.230 nan 0.000 0.411 798 I N 2.540 123.136 120.570 0.044 0.000 2.315 798 I HA 0.319 4.489 4.170 -0.000 0.000 0.291 798 I C -0.151 175.974 176.117 0.013 0.000 1.006 798 I CA -0.073 61.241 61.300 0.024 0.000 1.265 798 I CB 0.604 38.621 38.000 0.028 0.000 1.387 798 I HN 0.914 nan 8.210 nan 0.000 0.475 799 D N 6.802 127.210 120.400 0.014 0.000 2.447 799 D HA 0.087 4.726 4.640 -0.000 0.000 0.265 799 D C 1.061 177.370 176.300 0.015 0.000 1.250 799 D CA -0.443 53.565 54.000 0.014 0.000 1.046 799 D CB 0.672 41.493 40.800 0.034 0.000 1.095 799 D HN 0.556 nan 8.370 nan 0.000 0.555 800 K N -0.824 119.591 120.400 0.025 0.000 2.218 800 K HA -0.184 4.136 4.320 -0.000 0.000 0.205 800 K C 0.151 176.762 176.600 0.018 0.000 1.046 800 K CA 1.508 57.809 56.287 0.024 0.000 0.933 800 K CB -0.277 32.251 32.500 0.046 0.000 0.728 800 K HN 0.299 nan 8.250 nan 0.000 0.454 801 D N 0.067 120.478 120.400 0.018 0.000 2.342 801 D HA 0.089 4.729 4.640 -0.000 0.000 0.221 801 D C 0.813 177.117 176.300 0.007 0.000 1.101 801 D CA 0.695 54.701 54.000 0.011 0.000 0.837 801 D CB 0.872 41.678 40.800 0.009 0.000 0.938 801 D HN 0.528 nan 8.370 nan 0.000 0.508 802 G N 1.047 109.852 108.800 0.008 0.000 2.162 802 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 802 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 802 G C 0.539 175.442 174.900 0.005 0.000 0.976 802 G CA 0.196 45.300 45.100 0.005 0.000 0.655 802 G HN 0.594 nan 8.290 nan 0.000 0.533 803 A N -0.282 122.542 122.820 0.007 0.000 2.340 803 A HA 0.722 5.042 4.320 -0.000 0.000 0.268 803 A C 0.577 178.165 177.584 0.006 0.000 1.100 803 A CA 0.061 52.101 52.037 0.005 0.000 0.803 803 A CB 1.170 20.174 19.000 0.008 0.000 1.043 803 A HN 1.121 nan 8.150 nan 0.000 0.488 804 V N 4.004 123.918 119.914 -0.000 0.000 2.455 804 V HA 0.279 4.399 4.120 -0.000 0.000 0.273 804 V C 0.083 176.176 176.094 -0.001 0.000 1.045 804 V CA 0.045 62.342 62.300 -0.006 0.000 0.976 804 V CB 0.320 32.134 31.823 -0.014 0.000 0.993 804 V HN 0.807 nan 8.190 nan 0.000 0.475 805 K N 4.763 125.165 120.400 0.003 0.000 2.469 805 K HA 0.582 4.901 4.320 -0.000 0.000 0.254 805 K C -0.554 176.056 176.600 0.017 0.000 0.939 805 K CA -0.850 55.446 56.287 0.015 0.000 0.812 805 K CB 2.901 35.419 32.500 0.030 0.000 1.301 805 K HN 0.528 nan 8.250 nan 0.000 0.433 806 R N -0.320 120.194 120.500 0.023 0.000 2.528 806 R HA 0.239 4.579 4.340 -0.000 0.000 0.271 806 R C 1.571 177.912 176.300 0.068 0.000 1.056 806 R CA -0.030 56.091 56.100 0.035 0.000 1.117 806 R CB 0.566 30.882 30.300 0.027 0.000 1.085 806 R HN 0.881 nan 8.270 nan 0.000 0.530 807 G N 0.226 109.088 108.800 0.104 0.000 2.475 807 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 807 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 807 G C 1.319 176.253 174.900 0.057 0.000 1.125 807 G CA 1.210 46.363 45.100 0.088 0.000 0.755 807 G HN 0.654 nan 8.290 nan 0.000 0.565 808 S N 0.133 115.867 115.700 0.058 0.000 2.474 808 S HA 0.024 4.494 4.470 -0.000 0.000 0.235 808 S C 1.724 176.359 174.600 0.059 0.000 0.997 808 S CA 1.225 59.461 58.200 0.059 0.000 0.949 808 S CB -0.053 63.180 63.200 0.054 0.000 0.766 808 S HN 0.591 nan 8.310 nan 0.000 0.517 809 E N 0.315 120.548 120.200 0.055 0.000 2.474 809 E HA 0.188 4.537 4.350 -0.000 0.000 0.194 809 E C -0.367 176.274 176.600 0.068 0.000 1.041 809 E CA -0.104 56.327 56.400 0.051 0.000 0.874 809 E CB 0.184 29.907 29.700 0.038 0.000 0.914 809 E HN 0.455 nan 8.360 nan 0.000 0.498 810 I N 2.416 123.035 120.570 0.081 0.000 2.337 810 I HA 0.083 4.253 4.170 -0.000 0.000 0.291 810 I C 0.176 176.391 176.117 0.163 0.000 1.046 810 I CA -0.597 60.774 61.300 0.117 0.000 1.324 810 I CB 0.390 38.435 38.000 0.076 0.000 1.409 810 I HN -0.075 nan 8.210 nan 0.000 0.494 811 D N 5.929 126.455 120.400 0.211 0.000 2.389 811 D HA 0.026 4.666 4.640 -0.000 0.000 0.247 811 D C -0.938 175.561 176.300 0.331 0.000 1.128 811 D CA 0.325 54.445 54.000 0.200 0.000 0.884 811 D CB 0.522 41.372 40.800 0.083 0.000 1.194 811 D HN 0.368 nan 8.370 nan 0.000 0.441 812 Y N 4.168 124.534 120.300 0.110 0.000 2.681 812 Y HA 0.270 4.820 4.550 -0.000 0.000 0.347 812 Y C -0.500 175.437 175.900 0.061 0.000 1.029 812 Y CA -1.053 57.109 58.100 0.104 0.000 1.279 812 Y CB -0.366 38.135 38.460 0.067 0.000 1.096 812 Y HN 0.480 nan 8.280 nan 0.000 0.580 813 N N 3.906 122.461 118.700 -0.241 0.000 2.727 813 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 813 N C 1.046 176.450 175.510 -0.176 0.000 1.048 813 N CA 1.728 54.607 53.050 -0.284 0.000 0.714 813 N CB -1.242 36.948 38.487 -0.496 0.000 0.959 813 N HN 1.334 nan 8.380 nan 0.000 0.544 814 G N -2.675 106.075 108.800 -0.084 0.000 2.213 814 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.236 814 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.236 814 G C 0.116 175.009 174.900 -0.012 0.000 0.991 814 G CA 0.605 45.675 45.100 -0.051 0.000 0.629 814 G HN 1.174 nan 8.290 nan 0.000 0.517 815 A N 0.866 123.699 122.820 0.021 0.000 2.330 815 A HA 0.894 5.214 4.320 -0.000 0.000 0.329 815 A C -2.498 175.159 177.584 0.121 0.000 1.135 815 A CA -1.421 50.656 52.037 0.066 0.000 0.817 815 A CB 1.570 20.618 19.000 0.080 0.000 1.269 815 A HN 0.185 nan 8.150 nan 0.000 0.469 816 P HA 0.079 nan 4.420 nan 0.000 0.267 816 P C 0.919 178.308 177.300 0.148 0.000 1.209 816 P CA 0.621 63.786 63.100 0.109 0.000 0.763 816 P CB 0.949 32.698 31.700 0.082 0.000 0.816 817 G N 3.904 112.788 108.800 0.140 0.000 2.552 817 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 817 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 817 G C 0.834 175.749 174.900 0.025 0.000 1.240 817 G CA 0.571 45.728 45.100 0.095 0.000 0.796 817 G HN 0.697 nan 8.290 nan 0.000 0.568 818 G N -0.609 108.188 108.800 -0.005 0.000 2.364 818 G HA2 0.403 4.363 3.960 -0.000 0.000 0.267 818 G HA3 0.403 4.363 3.960 -0.000 0.000 0.267 818 G C 0.121 175.014 174.900 -0.012 0.000 1.233 818 G CA 0.284 45.330 45.100 -0.089 0.000 0.885 818 G HN 0.633 nan 8.290 nan 0.000 0.490 819 Y N 0.374 120.653 120.300 -0.034 0.000 2.448 819 Y HA 0.662 5.212 4.550 -0.000 0.000 0.257 819 Y C 1.036 176.923 175.900 -0.021 0.000 1.089 819 Y CA -0.558 57.521 58.100 -0.036 0.000 1.245 819 Y CB -0.380 38.033 38.460 -0.079 0.000 1.282 819 Y HN 0.618 nan 8.280 nan 0.000 0.529 820 A N 1.212 123.922 122.820 -0.185 0.000 2.271 820 A HA 0.764 5.084 4.320 -0.000 0.000 0.288 820 A C 1.261 178.852 177.584 0.011 0.000 1.094 820 A CA 0.085 52.101 52.037 -0.035 0.000 0.828 820 A CB 0.601 19.497 19.000 -0.174 0.000 1.091 820 A HN 0.671 nan 8.150 nan 0.000 0.493 821 A N -0.152 122.696 122.820 0.047 0.000 2.035 821 A HA 0.337 4.657 4.320 -0.000 0.000 0.208 821 A C 0.348 177.958 177.584 0.042 0.000 1.206 821 A CA 0.675 52.742 52.037 0.050 0.000 0.773 821 A CB 0.162 19.200 19.000 0.064 0.000 0.878 821 A HN 0.740 nan 8.150 nan 0.000 0.469 822 D N -1.439 118.983 120.400 0.036 0.000 2.732 822 D HA 0.291 4.931 4.640 -0.000 0.000 0.229 822 D C -2.247 174.055 176.300 0.003 0.000 1.152 822 D CA -1.210 52.808 54.000 0.029 0.000 0.854 822 D CB 2.008 42.837 40.800 0.049 0.000 1.590 822 D HN -0.128 nan 8.370 nan 0.000 0.468 823 P HA -0.126 nan 4.420 nan 0.000 0.222 823 P C 1.055 178.336 177.300 -0.032 0.000 1.147 823 P CA 1.169 64.244 63.100 -0.041 0.000 0.790 823 P CB -0.015 31.659 31.700 -0.044 0.000 0.780 824 T N -3.235 111.313 114.554 -0.010 0.000 3.163 824 T HA 0.030 4.380 4.350 -0.000 0.000 0.260 824 T C 1.370 176.116 174.700 0.077 0.000 1.156 824 T CA 0.571 62.664 62.100 -0.011 0.000 1.072 824 T CB -0.595 68.272 68.868 -0.002 0.000 0.937 824 T HN 0.246 nan 8.240 nan 0.000 0.528 825 E N 0.280 120.526 120.200 0.076 0.000 2.474 825 E HA 0.250 4.600 4.350 -0.000 0.000 0.195 825 E C -0.473 176.207 176.600 0.133 0.000 1.039 825 E CA -0.167 56.308 56.400 0.125 0.000 0.881 825 E CB 0.747 30.518 29.700 0.118 0.000 0.970 825 E HN 0.313 nan 8.360 nan 0.000 0.486 826 V N 1.501 121.445 119.914 0.051 0.000 2.540 826 V HA 0.248 4.368 4.120 -0.000 0.000 0.302 826 V C -0.424 175.665 176.094 -0.008 0.000 1.035 826 V CA -0.808 61.513 62.300 0.034 0.000 0.873 826 V CB 2.164 33.934 31.823 -0.089 0.000 0.992 826 V HN -0.191 nan 8.190 nan 0.000 0.428 827 V N 5.085 124.999 119.914 -0.001 0.000 2.350 827 V HA 0.445 4.565 4.120 -0.000 0.000 0.285 827 V C -0.043 176.126 176.094 0.126 0.000 1.014 827 V CA -0.800 61.441 62.300 -0.098 0.000 0.831 827 V CB 1.447 32.954 31.823 -0.526 0.000 1.000 827 V HN 0.821 nan 8.190 nan 0.000 0.433 828 N N 4.045 122.842 118.700 0.162 0.000 2.515 828 N HA 0.640 5.380 4.740 -0.000 0.000 0.279 828 N C -0.863 174.924 175.510 0.462 0.000 1.164 828 N CA -0.115 53.087 53.050 0.254 0.000 0.982 828 N CB 1.978 40.533 38.487 0.114 0.000 1.170 828 N HN 0.756 nan 8.380 nan 0.000 0.474 829 Y N -3.153 117.280 120.300 0.220 0.000 2.702 829 Y HA 0.401 4.951 4.550 -0.000 0.000 0.336 829 Y C -0.346 175.691 175.900 0.228 0.000 1.203 829 Y CA -1.102 57.178 58.100 0.301 0.000 1.072 829 Y CB 0.285 39.039 38.460 0.490 0.000 1.327 829 Y HN 0.103 nan 8.280 nan 0.000 0.456 830 V N -1.707 118.351 119.914 0.239 0.000 3.337 830 V HA 0.585 4.705 4.120 -0.000 0.000 0.307 830 V C -0.103 176.118 176.094 0.212 0.000 1.505 830 V CA 0.529 62.888 62.300 0.097 0.000 1.072 830 V CB 0.183 32.070 31.823 0.108 0.000 0.929 830 V HN 0.846 nan 8.190 nan 0.000 0.455 831 S N 0.216 116.169 115.700 0.421 0.000 2.556 831 S HA 0.704 5.174 4.470 -0.000 0.000 0.280 831 S C -1.182 173.724 174.600 0.511 0.000 1.141 831 S CA -0.543 57.888 58.200 0.385 0.000 0.883 831 S CB 2.357 65.719 63.200 0.271 0.000 1.103 831 S HN 0.636 nan 8.310 nan 0.000 0.453 832 K N 0.963 121.577 120.400 0.356 0.000 2.533 832 K HA 0.421 4.740 4.320 -0.000 0.000 0.284 832 K C 1.227 177.872 176.600 0.073 0.000 1.025 832 K CA -0.686 55.761 56.287 0.267 0.000 0.900 832 K CB 0.480 33.024 32.500 0.073 0.000 1.519 832 K HN 0.817 nan 8.250 nan 0.000 0.432 833 H N -0.303 118.744 119.070 -0.038 0.000 2.387 833 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 833 H C -0.345 174.895 175.328 -0.145 0.000 1.099 833 H CA 1.330 57.255 56.048 -0.205 0.000 1.315 833 H CB -0.314 29.080 29.762 -0.613 0.000 1.380 833 H HN 0.589 nan 8.280 nan 0.000 0.513 834 D N 1.229 121.115 120.400 -0.856 0.000 2.264 834 D HA 0.155 4.795 4.640 -0.000 0.000 0.249 834 D C 0.051 176.338 176.300 -0.020 0.000 1.070 834 D CA -0.596 53.230 54.000 -0.290 0.000 0.912 834 D CB 0.950 41.476 40.800 -0.457 0.000 1.193 834 D HN 0.285 nan 8.370 nan 0.000 0.427 835 N N 0.244 119.017 118.700 0.122 0.000 6.375 835 N HA -0.166 4.574 4.740 -0.000 0.000 0.405 835 N C -0.774 174.843 175.510 0.179 0.000 1.046 835 N CA -0.046 53.082 53.050 0.130 0.000 1.948 835 N CB -0.496 38.050 38.487 0.098 0.000 0.724 835 N HN 0.587 nan 8.380 nan 0.000 0.508 836 Q N 0.727 120.646 119.800 0.198 0.000 2.395 836 Q HA 0.235 4.575 4.340 -0.000 0.000 0.271 836 Q C 0.727 176.847 176.000 0.201 0.000 1.026 836 Q CA 0.362 56.302 55.803 0.227 0.000 0.900 836 Q CB 0.275 29.196 28.738 0.305 0.000 1.266 836 Q HN 0.598 nan 8.270 nan 0.000 0.430 837 T N -0.885 113.781 114.554 0.187 0.000 2.802 837 T HA 0.060 4.410 4.350 -0.000 0.000 0.305 837 T C 0.963 175.771 174.700 0.180 0.000 1.053 837 T CA -0.721 61.486 62.100 0.179 0.000 1.058 837 T CB 0.461 69.427 68.868 0.164 0.000 0.988 837 T HN 0.538 nan 8.240 nan 0.000 0.539 838 L N 1.169 122.504 121.223 0.187 0.000 2.012 838 L HA -0.002 4.338 4.340 -0.000 0.000 0.210 838 L C 2.242 179.201 176.870 0.149 0.000 1.073 838 L CA 1.773 56.715 54.840 0.170 0.000 0.748 838 L CB -1.200 40.972 42.059 0.188 0.000 0.891 838 L HN 0.883 nan 8.230 nan 0.000 0.431 839 W N 0.508 121.815 121.300 0.011 0.000 2.358 839 W HA -0.234 4.425 4.660 -0.000 0.000 0.303 839 W C 1.814 178.292 176.519 -0.069 0.000 1.208 839 W CA 1.788 59.101 57.345 -0.053 0.000 1.274 839 W CB -0.174 29.223 29.460 -0.105 0.000 1.138 839 W HN 0.292 nan 8.180 nan 0.000 0.515 840 D N 0.072 120.469 120.400 -0.006 0.000 2.178 840 D HA -0.193 4.447 4.640 -0.000 0.000 0.202 840 D C 2.254 178.555 176.300 0.001 0.000 0.974 840 D CA 1.393 55.299 54.000 -0.157 0.000 0.841 840 D CB -0.444 40.300 40.800 -0.093 0.000 0.953 840 D HN 0.096 nan 8.370 nan 0.000 0.478 841 M N -0.085 119.577 119.600 0.103 0.000 2.156 841 M HA -0.002 4.478 4.480 -0.000 0.000 0.264 841 M C 2.308 178.655 176.300 0.078 0.000 1.067 841 M CA 0.721 56.147 55.300 0.211 0.000 1.131 841 M CB -0.643 32.062 32.600 0.175 0.000 1.368 841 M HN 0.058 nan 8.290 nan 0.000 0.416 842 I N -0.339 120.162 120.570 -0.115 0.000 2.361 842 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 842 I C 2.244 178.176 176.117 -0.308 0.000 1.133 842 I CA 0.879 62.034 61.300 -0.242 0.000 1.413 842 I CB -0.266 37.493 38.000 -0.401 0.000 1.073 842 I HN 0.215 nan 8.210 nan 0.000 0.424 843 S N -0.342 115.113 115.700 -0.407 0.000 2.402 843 S HA -0.144 4.326 4.470 -0.000 0.000 0.229 843 S C 1.871 176.525 174.600 0.089 0.000 1.021 843 S CA 1.051 59.094 58.200 -0.263 0.000 0.974 843 S CB -0.234 62.803 63.200 -0.270 0.000 0.800 843 S HN 0.342 nan 8.310 nan 0.000 0.484 844 Y N 1.744 122.133 120.300 0.150 0.000 2.263 844 Y HA 0.068 4.618 4.550 -0.000 0.000 0.292 844 Y C 2.161 178.070 175.900 0.015 0.000 1.130 844 Y CA 0.668 58.824 58.100 0.092 0.000 1.179 844 Y CB -0.083 38.434 38.460 0.095 0.000 0.998 844 Y HN 0.193 nan 8.280 nan 0.000 0.532 845 K N -0.506 119.992 120.400 0.162 0.000 2.308 845 K HA 0.309 4.628 4.320 -0.000 0.000 0.197 845 K C 0.896 177.504 176.600 0.014 0.000 1.049 845 K CA 0.415 56.744 56.287 0.071 0.000 0.991 845 K CB 0.082 32.617 32.500 0.059 0.000 0.836 845 K HN 0.023 nan 8.250 nan 0.000 0.500 846 A N 2.016 124.810 122.820 -0.043 0.000 2.531 846 A HA 0.352 4.672 4.320 -0.000 0.000 0.236 846 A C 0.312 177.875 177.584 -0.035 0.000 1.062 846 A CA -0.069 51.919 52.037 -0.082 0.000 0.760 846 A CB -0.042 18.853 19.000 -0.176 0.000 0.995 846 A HN 0.338 nan 8.150 nan 0.000 0.501 847 A N 1.395 124.203 122.820 -0.021 0.000 2.483 847 A HA 0.242 4.561 4.320 -0.000 0.000 0.238 847 A C 1.359 178.942 177.584 -0.003 0.000 1.070 847 A CA 0.148 52.189 52.037 0.007 0.000 0.770 847 A CB 0.205 19.223 19.000 0.031 0.000 1.008 847 A HN 0.973 nan 8.150 nan 0.000 0.497 848 Q N 0.697 120.504 119.800 0.012 0.000 2.152 848 Q HA -0.210 4.130 4.340 -0.000 0.000 0.206 848 Q C 1.734 177.740 176.000 0.011 0.000 0.985 848 Q CA 2.334 58.145 55.803 0.013 0.000 0.863 848 Q CB -0.109 28.642 28.738 0.022 0.000 0.904 848 Q HN 0.968 nan 8.270 nan 0.000 0.422 849 E N -0.463 119.748 120.200 0.018 0.000 2.418 849 E HA 0.006 4.356 4.350 -0.000 0.000 0.197 849 E C -0.027 176.582 176.600 0.015 0.000 1.026 849 E CA 0.548 56.962 56.400 0.023 0.000 0.862 849 E CB -0.266 29.457 29.700 0.038 0.000 0.799 849 E HN 0.204 nan 8.360 nan 0.000 0.518 850 A N 3.262 126.076 122.820 -0.010 0.000 2.444 850 A HA 0.115 4.435 4.320 -0.000 0.000 0.287 850 A C -0.164 177.386 177.584 -0.057 0.000 1.195 850 A CA -0.227 51.777 52.037 -0.055 0.000 0.858 850 A CB -0.247 18.674 19.000 -0.132 0.000 1.117 850 A HN 0.344 nan 8.150 nan 0.000 0.521 851 D N 2.168 122.550 120.400 -0.029 0.000 2.393 851 D HA 0.097 4.737 4.640 -0.000 0.000 0.246 851 D C 1.088 177.381 176.300 -0.012 0.000 1.275 851 D CA -0.670 53.324 54.000 -0.010 0.000 0.979 851 D CB 0.257 41.065 40.800 0.015 0.000 1.101 851 D HN 0.207 nan 8.370 nan 0.000 0.505 852 L N 0.140 121.376 121.223 0.022 0.000 1.990 852 L HA -0.173 4.167 4.340 -0.000 0.000 0.213 852 L C 1.705 178.619 176.870 0.073 0.000 1.072 852 L CA 2.413 57.291 54.840 0.063 0.000 0.755 852 L CB -1.274 40.818 42.059 0.054 0.000 0.889 852 L HN 0.718 nan 8.230 nan 0.000 0.432 853 D N -1.978 118.453 120.400 0.052 0.000 2.123 853 D HA -0.209 4.431 4.640 -0.000 0.000 0.196 853 D C 1.876 178.212 176.300 0.059 0.000 0.992 853 D CA 1.776 55.820 54.000 0.073 0.000 0.833 853 D CB 0.017 40.861 40.800 0.074 0.000 0.954 853 D HN 0.428 nan 8.370 nan 0.000 0.455 854 T N -0.463 114.081 114.554 -0.017 0.000 2.788 854 T HA -0.089 4.260 4.350 -0.000 0.000 0.268 854 T C 1.936 176.476 174.700 -0.266 0.000 1.044 854 T CA 0.909 62.907 62.100 -0.171 0.000 1.139 854 T CB -0.147 68.577 68.868 -0.240 0.000 0.867 854 T HN 0.196 nan 8.240 nan 0.000 0.454 855 R N 0.406 120.819 120.500 -0.145 0.000 2.115 855 R HA 0.000 4.340 4.340 -0.000 0.000 0.230 855 R C 2.444 178.807 176.300 0.105 0.000 1.111 855 R CA 0.798 56.816 56.100 -0.137 0.000 0.976 855 R CB -0.556 29.645 30.300 -0.164 0.000 0.870 855 R HN 0.257 nan 8.270 nan 0.000 0.445 856 V N 0.976 121.022 119.914 0.221 0.000 2.358 856 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 856 V C 2.220 178.454 176.094 0.234 0.000 1.047 856 V CA 1.674 64.149 62.300 0.291 0.000 1.035 856 V CB -0.448 31.520 31.823 0.243 0.000 0.658 856 V HN 0.279 nan 8.190 nan 0.000 0.452 857 R N -0.685 119.894 120.500 0.131 0.000 2.115 857 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 857 R C 2.316 178.610 176.300 -0.011 0.000 1.111 857 R CA 1.390 57.503 56.100 0.022 0.000 0.976 857 R CB -0.325 30.008 30.300 0.055 0.000 0.870 857 R HN 0.450 nan 8.270 nan 0.000 0.445 858 M N 0.068 119.588 119.600 -0.132 0.000 2.117 858 M HA -0.211 4.269 4.480 -0.000 0.000 0.262 858 M C 2.416 178.720 176.300 0.007 0.000 1.065 858 M CA 1.625 56.827 55.300 -0.164 0.000 1.114 858 M CB -0.153 32.221 32.600 -0.376 0.000 1.361 858 M HN 0.080 nan 8.290 nan 0.000 0.408 859 Q N 0.514 120.360 119.800 0.076 0.000 2.084 859 Q HA -0.148 4.191 4.340 -0.000 0.000 0.202 859 Q C 1.943 178.033 176.000 0.151 0.000 0.978 859 Q CA 2.290 58.190 55.803 0.163 0.000 0.844 859 Q CB -0.160 28.750 28.738 0.287 0.000 0.898 859 Q HN 0.491 nan 8.270 nan 0.000 0.426 860 A N -0.555 122.338 122.820 0.122 0.000 1.898 860 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 860 A C 2.262 179.852 177.584 0.010 0.000 1.181 860 A CA 1.439 53.509 52.037 0.055 0.000 0.620 860 A CB -0.771 18.144 19.000 -0.142 0.000 0.819 860 A HN 0.296 nan 8.150 nan 0.000 0.442 861 V N 0.088 120.019 119.914 0.029 0.000 2.407 861 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 861 V C 2.804 178.945 176.094 0.079 0.000 1.055 861 V CA 2.313 64.655 62.300 0.070 0.000 1.049 861 V CB -0.685 31.255 31.823 0.196 0.000 0.662 861 V HN 0.575 nan 8.190 nan 0.000 0.455 862 S N 0.118 115.872 115.700 0.092 0.000 2.356 862 S HA -0.120 4.349 4.470 -0.000 0.000 0.223 862 S C 1.873 176.520 174.600 0.078 0.000 1.032 862 S CA 1.487 59.740 58.200 0.088 0.000 1.005 862 S CB -0.355 62.901 63.200 0.094 0.000 0.867 862 S HN 0.475 nan 8.310 nan 0.000 0.449 863 L N 1.162 122.435 121.223 0.084 0.000 2.201 863 L HA -0.058 4.281 4.340 -0.000 0.000 0.212 863 L C 2.676 179.546 176.870 -0.001 0.000 1.105 863 L CA 0.859 55.737 54.840 0.064 0.000 0.775 863 L CB -0.618 41.493 42.059 0.086 0.000 0.913 863 L HN 0.311 nan 8.230 nan 0.000 0.440 864 A N 0.295 123.111 122.820 -0.007 0.000 1.933 864 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 864 A C 2.472 180.050 177.584 -0.010 0.000 1.175 864 A CA 2.211 54.227 52.037 -0.034 0.000 0.628 864 A CB -0.983 18.002 19.000 -0.026 0.000 0.814 864 A HN 0.520 nan 8.150 nan 0.000 0.444 865 T N -2.759 111.806 114.554 0.019 0.000 2.881 865 T HA -0.089 4.261 4.350 -0.000 0.000 0.270 865 T C 1.631 176.346 174.700 0.024 0.000 1.068 865 T CA 1.632 63.750 62.100 0.030 0.000 1.131 865 T CB -0.551 68.337 68.868 0.032 0.000 0.871 865 T HN 0.084 nan 8.240 nan 0.000 0.479 866 V N 1.234 121.163 119.914 0.025 0.000 2.300 866 V HA 0.010 4.130 4.120 -0.000 0.000 0.241 866 V C 2.828 178.919 176.094 -0.005 0.000 1.034 866 V CA 1.258 63.581 62.300 0.037 0.000 1.021 866 V CB -0.507 31.370 31.823 0.090 0.000 0.662 866 V HN 0.335 nan 8.190 nan 0.000 0.458 867 M N -0.152 119.416 119.600 -0.054 0.000 2.202 867 M HA -0.083 4.397 4.480 -0.000 0.000 0.262 867 M C 1.845 178.054 176.300 -0.153 0.000 1.063 867 M CA 1.767 56.992 55.300 -0.125 0.000 1.097 867 M CB -0.991 31.485 32.600 -0.206 0.000 1.382 867 M HN 0.262 nan 8.290 nan 0.000 0.413 868 L N -0.927 120.229 121.223 -0.111 0.000 2.653 868 L HA 0.236 4.576 4.340 -0.000 0.000 0.231 868 L C 1.108 178.017 176.870 0.065 0.000 1.153 868 L CA -0.602 54.182 54.840 -0.093 0.000 0.933 868 L CB -0.586 41.443 42.059 -0.050 0.000 1.175 868 L HN 0.149 nan 8.230 nan 0.000 0.473 869 G N -1.122 107.696 108.800 0.031 0.000 2.462 869 G HA2 0.230 4.190 3.960 -0.000 0.000 0.319 869 G HA3 0.230 4.190 3.960 -0.000 0.000 0.319 869 G C 0.410 175.330 174.900 0.034 0.000 1.171 869 G CA -0.292 44.833 45.100 0.043 0.000 0.920 869 G HN -0.036 nan 8.290 nan 0.000 0.499 870 Q N 0.000 119.804 119.800 0.007 0.000 2.311 870 Q HA 0.018 4.358 4.340 -0.000 0.000 0.203 870 Q C 1.620 177.600 176.000 -0.033 0.000 0.954 870 Q CA 0.594 56.391 55.803 -0.011 0.000 0.885 870 Q CB -0.179 28.533 28.738 -0.044 0.000 0.963 870 Q HN 0.542 nan 8.270 nan 0.000 0.471 871 G N 0.783 109.558 108.800 -0.042 0.000 2.606 871 G HA2 0.311 4.271 3.960 -0.000 0.000 0.252 871 G HA3 0.311 4.271 3.960 -0.000 0.000 0.252 871 G C -0.020 174.849 174.900 -0.053 0.000 1.206 871 G CA -0.619 44.451 45.100 -0.051 0.000 0.861 871 G HN 0.130 nan 8.290 nan 0.000 0.561 872 I N 0.809 121.326 120.570 -0.087 0.000 2.752 872 I HA 0.169 4.339 4.170 -0.000 0.000 0.287 872 I C 1.082 177.167 176.117 -0.053 0.000 1.188 872 I CA 0.094 61.316 61.300 -0.131 0.000 1.427 872 I CB 0.876 38.726 38.000 -0.249 0.000 1.365 872 I HN 0.469 nan 8.210 nan 0.000 0.585 873 A N 7.359 130.156 122.820 -0.038 0.000 2.290 873 A HA 0.592 4.911 4.320 -0.000 0.000 0.310 873 A C -0.902 176.766 177.584 0.141 0.000 1.202 873 A CA -0.228 51.839 52.037 0.051 0.000 0.837 873 A CB 0.454 19.454 19.000 -0.001 0.000 1.139 873 A HN 0.549 nan 8.150 nan 0.000 0.509 874 F N 1.993 121.997 119.950 0.089 0.000 2.565 874 F HA 0.689 5.216 4.527 -0.000 0.000 0.313 874 F C -1.005 174.938 175.800 0.239 0.000 1.091 874 F CA -0.665 57.427 58.000 0.154 0.000 0.915 874 F CB 2.096 41.206 39.000 0.183 0.000 1.208 874 F HN 0.602 nan 8.300 nan 0.000 0.453 875 D N 2.696 122.939 120.400 -0.261 0.000 2.609 875 D HA 0.174 4.813 4.640 -0.000 0.000 0.239 875 D C -1.769 174.355 176.300 -0.294 0.000 1.229 875 D CA -0.396 53.599 54.000 -0.007 0.000 0.808 875 D CB 2.107 43.035 40.800 0.212 0.000 1.448 875 D HN 0.705 nan 8.370 nan 0.000 0.433 876 Q N 1.399 121.171 119.800 -0.047 0.000 2.288 876 Q HA 0.155 4.495 4.340 -0.000 0.000 0.254 876 Q C -0.296 175.540 176.000 -0.273 0.000 0.932 876 Q CA -0.475 55.265 55.803 -0.106 0.000 0.902 876 Q CB 0.954 29.735 28.738 0.072 0.000 1.203 876 Q HN 0.474 nan 8.270 nan 0.000 0.415 877 Q N 2.508 122.058 119.800 -0.417 0.000 2.269 877 Q HA 0.051 4.391 4.340 -0.000 0.000 0.300 877 Q C 0.316 176.235 176.000 -0.135 0.000 1.070 877 Q CA 1.395 56.894 55.803 -0.506 0.000 0.957 877 Q CB -0.048 28.584 28.738 -0.176 0.000 1.131 877 Q HN 1.027 nan 8.270 nan 0.000 0.377 878 G N 2.728 111.509 108.800 -0.032 0.000 2.194 878 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.236 878 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.236 878 G C 0.871 175.721 174.900 -0.083 0.000 0.987 878 G CA 0.317 45.374 45.100 -0.071 0.000 0.635 878 G HN 0.617 nan 8.290 nan 0.000 0.520 879 S N 0.981 116.651 115.700 -0.050 0.000 2.399 879 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 879 S C 2.122 176.703 174.600 -0.032 0.000 1.022 879 S CA 1.681 59.900 58.200 0.031 0.000 0.983 879 S CB -0.179 63.127 63.200 0.177 0.000 0.803 879 S HN 0.842 nan 8.310 nan 0.000 0.480 880 E N 1.357 121.381 120.200 -0.294 0.000 2.418 880 E HA -0.068 4.281 4.350 -0.000 0.000 0.197 880 E C 0.973 177.502 176.600 -0.119 0.000 1.026 880 E CA 0.686 56.889 56.400 -0.328 0.000 0.862 880 E CB -0.259 28.992 29.700 -0.750 0.000 0.799 880 E HN 0.470 nan 8.360 nan 0.000 0.518 881 L N 0.960 122.095 121.223 -0.147 0.000 2.965 881 L HA 0.286 4.626 4.340 -0.000 0.000 0.254 881 L C 0.347 177.055 176.870 -0.270 0.000 1.220 881 L CA -0.312 54.403 54.840 -0.209 0.000 1.023 881 L CB -0.053 41.831 42.059 -0.292 0.000 1.355 881 L HN -0.020 nan 8.230 nan 0.000 0.545 882 L N 0.193 121.294 121.223 -0.203 0.000 3.839 882 L HA -0.263 4.077 4.340 -0.000 0.000 0.416 882 L C 1.007 177.690 176.870 -0.311 0.000 1.195 882 L CA 0.265 54.931 54.840 -0.290 0.000 0.946 882 L CB -1.512 40.112 42.059 -0.725 0.000 1.891 882 L HN 0.478 nan 8.230 nan 0.000 0.963 883 R N 1.047 121.447 120.500 -0.166 0.000 2.481 883 R HA 0.150 4.490 4.340 -0.000 0.000 0.291 883 R C 0.438 176.722 176.300 -0.028 0.000 0.934 883 R CA 1.079 57.097 56.100 -0.137 0.000 1.116 883 R CB 0.580 30.828 30.300 -0.086 0.000 0.895 883 R HN 0.265 nan 8.270 nan 0.000 0.410 884 S N 2.500 118.162 115.700 -0.063 0.000 2.566 884 S HA 0.370 4.840 4.470 -0.000 0.000 0.298 884 S C -0.341 174.253 174.600 -0.011 0.000 1.083 884 S CA -0.862 57.365 58.200 0.045 0.000 0.978 884 S CB 1.573 64.861 63.200 0.148 0.000 1.073 884 S HN 0.731 nan 8.310 nan 0.000 0.491 885 K N 1.429 121.848 120.400 0.030 0.000 2.564 885 K HA 0.301 4.621 4.320 -0.000 0.000 0.205 885 K C 0.004 176.691 176.600 0.145 0.000 1.053 885 K CA -0.058 56.283 56.287 0.091 0.000 1.072 885 K CB 0.588 33.172 32.500 0.140 0.000 0.822 885 K HN 0.619 nan 8.250 nan 0.000 0.497 886 S N 0.314 116.003 115.700 -0.018 0.000 3.698 886 S HA -0.199 4.270 4.470 -0.000 0.000 0.338 886 S C 0.043 174.660 174.600 0.029 0.000 1.089 886 S CA 0.783 58.934 58.200 -0.081 0.000 0.991 886 S CB -1.179 62.153 63.200 0.220 0.000 0.909 886 S HN 0.579 nan 8.310 nan 0.000 0.485 887 F N -2.214 117.735 119.950 -0.002 0.000 2.656 887 F HA -0.224 4.303 4.527 -0.000 0.000 0.381 887 F C 0.838 176.673 175.800 0.058 0.000 0.603 887 F CA 1.070 59.054 58.000 -0.026 0.000 1.335 887 F CB -2.571 36.359 39.000 -0.117 0.000 1.836 887 F HN 0.368 nan 8.300 nan 0.000 0.290 888 T N 1.904 116.556 114.554 0.163 0.000 2.871 888 T HA 0.036 4.386 4.350 -0.000 0.000 0.296 888 T C 1.408 176.198 174.700 0.150 0.000 0.998 888 T CA 0.033 62.176 62.100 0.072 0.000 1.162 888 T CB 1.478 70.313 68.868 -0.054 0.000 0.947 888 T HN 0.245 nan 8.240 nan 0.000 0.536 889 R N 2.051 122.636 120.500 0.141 0.000 2.075 889 R HA 0.013 4.353 4.340 -0.000 0.000 0.220 889 R C 0.086 176.486 176.300 0.167 0.000 1.118 889 R CA 0.982 57.179 56.100 0.162 0.000 0.986 889 R CB 0.112 30.488 30.300 0.126 0.000 0.884 889 R HN 0.608 nan 8.270 nan 0.000 0.439 890 D N 0.533 121.006 120.400 0.122 0.000 2.438 890 D HA 0.071 4.711 4.640 -0.000 0.000 0.257 890 D C -0.277 176.041 176.300 0.030 0.000 1.148 890 D CA -0.176 53.910 54.000 0.144 0.000 0.902 890 D CB 1.245 42.099 40.800 0.090 0.000 1.062 890 D HN 0.114 nan 8.370 nan 0.000 0.518 891 S N 2.507 118.211 115.700 0.006 0.000 2.660 891 S HA -0.058 4.411 4.470 -0.000 0.000 0.227 891 S C 1.716 175.927 174.600 -0.648 0.000 0.948 891 S CA -0.439 57.660 58.200 -0.167 0.000 0.948 891 S CB -0.781 62.484 63.200 0.108 0.000 0.779 891 S HN 0.513 nan 8.310 nan 0.000 0.487 892 Y N 1.215 120.591 120.300 -1.540 0.000 2.283 892 Y HA -0.038 4.512 4.550 -0.000 0.000 0.285 892 Y C 1.226 176.781 175.900 -0.574 0.000 1.176 892 Y CA 1.583 58.594 58.100 -1.814 0.000 1.229 892 Y CB -0.621 37.157 38.460 -1.136 0.000 0.975 892 Y HN 0.401 nan 8.280 nan 0.000 0.537 893 D N -0.934 118.767 120.400 -1.166 0.000 2.620 893 D HA 0.173 4.813 4.640 -0.000 0.000 0.260 893 D C 0.533 176.571 176.300 -0.437 0.000 1.367 893 D CA 0.106 53.651 54.000 -0.758 0.000 0.805 893 D CB 0.036 40.158 40.800 -1.130 0.000 1.096 893 D HN 0.235 nan 8.370 nan 0.000 0.488 894 S N -0.298 115.167 115.700 -0.393 0.000 2.671 894 S HA 0.440 4.910 4.470 -0.000 0.000 0.220 894 S C 1.085 175.592 174.600 -0.155 0.000 0.951 894 S CA 0.243 58.321 58.200 -0.204 0.000 0.932 894 S CB 0.017 63.124 63.200 -0.155 0.000 0.777 894 S HN 0.615 nan 8.310 nan 0.000 0.508 895 G N 2.182 110.706 108.800 -0.460 0.000 2.749 895 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.242 895 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.242 895 G C 0.002 174.541 174.900 -0.602 0.000 1.364 895 G CA 0.024 44.816 45.100 -0.514 0.000 0.888 895 G HN 0.314 nan 8.290 nan 0.000 0.566 896 D N -0.941 119.388 120.400 -0.118 0.000 2.178 896 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 896 D C 1.841 178.391 176.300 0.416 0.000 0.980 896 D CA 1.519 55.648 54.000 0.215 0.000 0.842 896 D CB -0.149 40.760 40.800 0.181 0.000 0.948 896 D HN 0.489 nan 8.370 nan 0.000 0.472 897 W N 0.543 121.899 121.300 0.094 0.000 2.332 897 W HA -0.233 4.427 4.660 -0.000 0.000 0.321 897 W C 1.491 177.823 176.519 -0.311 0.000 1.219 897 W CA 1.005 58.314 57.345 -0.059 0.000 1.277 897 W CB -0.519 28.765 29.460 -0.294 0.000 1.161 897 W HN -0.061 nan 8.180 nan 0.000 0.476 898 F N 0.424 120.400 119.950 0.043 0.000 2.615 898 F HA -0.005 4.522 4.527 -0.000 0.000 0.297 898 F C 1.539 177.256 175.800 -0.139 0.000 1.124 898 F CA 1.026 58.981 58.000 -0.076 0.000 1.451 898 F CB -0.693 38.314 39.000 0.012 0.000 1.103 898 F HN -0.135 nan 8.300 nan 0.000 0.569 899 N N -0.364 118.328 118.700 -0.012 0.000 2.230 899 N HA 0.038 4.778 4.740 -0.000 0.000 0.202 899 N C 0.422 175.910 175.510 -0.037 0.000 1.119 899 N CA -0.255 52.798 53.050 0.005 0.000 0.851 899 N CB 0.153 38.626 38.487 -0.023 0.000 0.990 899 N HN -0.008 nan 8.380 nan 0.000 0.497 900 R N 1.377 121.743 120.500 -0.222 0.000 2.537 900 R HA 0.043 4.383 4.340 -0.000 0.000 0.281 900 R C -1.045 174.967 176.300 -0.479 0.000 0.988 900 R CA 0.490 56.260 56.100 -0.550 0.000 1.077 900 R CB 0.274 29.795 30.300 -1.299 0.000 0.932 900 R HN -0.143 nan 8.270 nan 0.000 0.409 901 V N 4.795 124.465 119.914 -0.406 0.000 2.443 901 V HA 0.114 4.233 4.120 -0.000 0.000 0.293 901 V C -0.736 175.020 176.094 -0.562 0.000 1.021 901 V CA -0.769 61.252 62.300 -0.464 0.000 0.848 901 V CB 1.582 33.180 31.823 -0.374 0.000 0.998 901 V HN 0.775 nan 8.190 nan 0.000 0.424 902 D N 3.219 123.257 120.400 -0.605 0.000 2.456 902 D HA 0.251 4.891 4.640 -0.000 0.000 0.219 902 D C 0.354 176.364 176.300 -0.483 0.000 1.126 902 D CA -0.156 53.570 54.000 -0.456 0.000 0.890 902 D CB 0.635 41.194 40.800 -0.403 0.000 1.025 902 D HN 0.523 nan 8.370 nan 0.000 0.511 903 Y N 1.304 121.506 120.300 -0.163 0.000 2.578 903 Y HA -0.043 4.507 4.550 -0.000 0.000 0.297 903 Y C 2.316 178.133 175.900 -0.137 0.000 1.176 903 Y CA 0.400 58.380 58.100 -0.200 0.000 1.315 903 Y CB 0.201 38.564 38.460 -0.162 0.000 1.031 903 Y HN 0.395 nan 8.280 nan 0.000 0.524 904 S N -0.557 115.127 115.700 -0.027 0.000 2.575 904 S HA 0.040 4.510 4.470 -0.000 0.000 0.215 904 S C 0.832 175.387 174.600 -0.075 0.000 0.966 904 S CA 0.003 58.188 58.200 -0.025 0.000 0.911 904 S CB -0.542 62.648 63.200 -0.017 0.000 0.780 904 S HN 0.498 nan 8.310 nan 0.000 0.514 905 L N -0.377 120.763 121.223 -0.138 0.000 3.865 905 L HA -0.232 4.107 4.340 -0.000 0.000 0.408 905 L C 1.203 177.978 176.870 -0.160 0.000 1.209 905 L CA 0.388 55.129 54.840 -0.164 0.000 0.940 905 L CB -2.316 39.674 42.059 -0.115 0.000 1.971 905 L HN 0.302 nan 8.230 nan 0.000 0.899 906 Q N 0.728 120.428 119.800 -0.166 0.000 2.137 906 Q HA 0.030 4.370 4.340 -0.000 0.000 0.198 906 Q C 0.739 176.628 176.000 -0.184 0.000 0.960 906 Q CA 2.037 57.750 55.803 -0.151 0.000 0.847 906 Q CB 0.152 28.810 28.738 -0.133 0.000 0.915 906 Q HN 0.942 nan 8.270 nan 0.000 0.448 907 D N -2.051 118.205 120.400 -0.240 0.000 2.692 907 D HA 0.058 4.698 4.640 -0.000 0.000 0.290 907 D C -0.219 175.880 176.300 -0.335 0.000 1.281 907 D CA -0.673 53.167 54.000 -0.267 0.000 0.804 907 D CB -0.039 40.620 40.800 -0.235 0.000 1.331 907 D HN -0.141 nan 8.370 nan 0.000 0.432 908 N N 0.716 119.201 118.700 -0.358 0.000 2.276 908 N HA 0.077 4.816 4.740 -0.000 0.000 0.212 908 N C 0.078 175.382 175.510 -0.342 0.000 1.127 908 N CA -0.108 52.703 53.050 -0.398 0.000 0.834 908 N CB -0.323 37.842 38.487 -0.536 0.000 1.014 908 N HN 0.630 nan 8.380 nan 0.000 0.491 909 N N -1.099 117.391 118.700 -0.350 0.000 2.782 909 N HA -0.247 4.493 4.740 -0.000 0.000 0.251 909 N C -1.250 174.121 175.510 -0.231 0.000 1.101 909 N CA 0.392 53.211 53.050 -0.385 0.000 0.764 909 N CB -2.120 36.087 38.487 -0.465 0.000 1.122 909 N HN 0.630 nan 8.380 nan 0.000 0.561 910 Y N 1.578 121.712 120.300 -0.276 0.000 2.307 910 Y HA 0.356 4.906 4.550 -0.000 0.000 0.324 910 Y C 1.305 177.124 175.900 -0.135 0.000 1.238 910 Y CA 0.370 58.359 58.100 -0.184 0.000 1.280 910 Y CB 0.578 38.970 38.460 -0.113 0.000 1.248 910 Y HN 0.321 nan 8.280 nan 0.000 0.508 911 N N 2.895 121.236 118.700 -0.598 0.000 2.727 911 N HA -0.185 4.555 4.740 -0.000 0.000 0.251 911 N C -0.539 174.891 175.510 -0.134 0.000 1.040 911 N CA 0.510 53.359 53.050 -0.336 0.000 0.712 911 N CB -0.672 37.724 38.487 -0.152 0.000 0.912 911 N HN 0.575 nan 8.380 nan 0.000 0.545 912 V N -1.433 118.414 119.914 -0.111 0.000 3.121 912 V HA 0.699 4.819 4.120 -0.000 0.000 0.344 912 V C 0.848 177.053 176.094 0.186 0.000 1.390 912 V CA 0.481 62.761 62.300 -0.033 0.000 1.177 912 V CB 0.497 32.108 31.823 -0.354 0.000 1.163 912 V HN 0.648 nan 8.190 nan 0.000 0.484 913 G N 0.274 109.163 108.800 0.148 0.000 2.465 913 G HA2 0.126 4.086 3.960 -0.000 0.000 0.681 913 G HA3 0.126 4.086 3.960 -0.000 0.000 0.681 913 G C -0.839 174.219 174.900 0.263 0.000 1.340 913 G CA -0.888 44.333 45.100 0.202 0.000 0.884 913 G HN 0.161 nan 8.290 nan 0.000 0.650 914 M N 2.137 121.798 119.600 0.102 0.000 2.249 914 M HA 0.227 4.707 4.480 -0.000 0.000 0.340 914 M C -1.390 174.981 176.300 0.119 0.000 1.166 914 M CA -1.812 53.470 55.300 -0.030 0.000 1.115 914 M CB -0.194 32.133 32.600 -0.455 0.000 1.606 914 M HN 0.508 nan 8.290 nan 0.000 0.448 915 P HA 0.113 nan 4.420 nan 0.000 0.273 915 P C -0.740 176.529 177.300 -0.051 0.000 1.250 915 P CA -0.488 62.502 63.100 -0.183 0.000 0.793 915 P CB 0.213 31.887 31.700 -0.044 0.000 1.011 916 R N 0.202 120.546 120.500 -0.258 0.000 2.481 916 R HA -0.012 4.328 4.340 -0.000 0.000 0.291 916 R C 1.083 177.382 176.300 -0.001 0.000 0.934 916 R CA 0.410 56.445 56.100 -0.108 0.000 1.116 916 R CB -0.931 29.271 30.300 -0.164 0.000 0.895 916 R HN 0.486 nan 8.270 nan 0.000 0.410 917 S N 2.174 117.894 115.700 0.034 0.000 2.402 917 S HA -0.220 4.250 4.470 -0.000 0.000 0.229 917 S C 1.930 176.438 174.600 -0.153 0.000 1.021 917 S CA 0.828 58.959 58.200 -0.115 0.000 0.974 917 S CB -0.299 62.875 63.200 -0.043 0.000 0.800 917 S HN 0.830 nan 8.310 nan 0.000 0.484 918 S N 1.553 117.206 115.700 -0.079 0.000 2.400 918 S HA -0.172 4.298 4.470 -0.000 0.000 0.232 918 S C 1.481 176.037 174.600 -0.074 0.000 1.025 918 S CA 1.564 59.723 58.200 -0.068 0.000 0.993 918 S CB -0.621 62.557 63.200 -0.037 0.000 0.808 918 S HN 0.636 nan 8.310 nan 0.000 0.478 919 D N -0.004 120.354 120.400 -0.070 0.000 2.454 919 D HA 0.150 4.790 4.640 -0.000 0.000 0.219 919 D C 0.833 177.096 176.300 -0.062 0.000 1.081 919 D CA 0.271 54.237 54.000 -0.057 0.000 0.867 919 D CB 0.328 41.112 40.800 -0.026 0.000 1.054 919 D HN 0.216 nan 8.370 nan 0.000 0.500 920 D N -0.897 119.456 120.400 -0.078 0.000 2.469 920 D HA 0.164 4.804 4.640 -0.000 0.000 0.213 920 D C 1.797 177.956 176.300 -0.234 0.000 1.135 920 D CA 0.139 54.110 54.000 -0.048 0.000 0.834 920 D CB 0.827 41.682 40.800 0.090 0.000 1.009 920 D HN 0.247 nan 8.370 nan 0.000 0.507 921 G N 1.438 109.953 108.800 -0.476 0.000 2.469 921 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.220 921 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.220 921 G C 1.667 176.243 174.900 -0.540 0.000 1.136 921 G CA 1.432 45.971 45.100 -0.934 0.000 0.759 921 G HN 0.355 nan 8.290 nan 0.000 0.562 922 S N 0.421 115.964 115.700 -0.261 0.000 2.555 922 S HA 0.001 4.471 4.470 -0.000 0.000 0.230 922 S C 1.640 176.193 174.600 -0.079 0.000 0.978 922 S CA 0.927 59.044 58.200 -0.139 0.000 0.934 922 S CB -0.106 63.036 63.200 -0.097 0.000 0.766 922 S HN 0.352 nan 8.310 nan 0.000 0.533 923 N N 0.055 118.724 118.700 -0.050 0.000 2.205 923 N HA 0.216 4.956 4.740 -0.000 0.000 0.201 923 N C 0.776 176.384 175.510 0.163 0.000 1.128 923 N CA -0.014 53.056 53.050 0.033 0.000 0.867 923 N CB -0.255 38.267 38.487 0.058 0.000 0.996 923 N HN 0.565 nan 8.380 nan 0.000 0.503 924 Y N 1.284 121.573 120.300 -0.019 0.000 2.165 924 Y HA -0.283 4.267 4.550 -0.000 0.000 0.286 924 Y C 2.301 178.186 175.900 -0.025 0.000 1.155 924 Y CA 0.938 59.027 58.100 -0.018 0.000 1.164 924 Y CB 0.133 38.590 38.460 -0.005 0.000 0.978 924 Y HN 0.099 nan 8.280 nan 0.000 0.513 925 D N 0.552 121.040 120.400 0.146 0.000 2.092 925 D HA -0.218 4.422 4.640 -0.000 0.000 0.193 925 D C 1.892 178.211 176.300 0.033 0.000 0.994 925 D CA 1.310 55.351 54.000 0.068 0.000 0.828 925 D CB -0.297 40.527 40.800 0.040 0.000 0.963 925 D HN 0.216 nan 8.370 nan 0.000 0.450 926 I N 0.175 120.756 120.570 0.018 0.000 2.315 926 I HA -0.107 4.062 4.170 -0.000 0.000 0.248 926 I C 2.062 178.179 176.117 -0.001 0.000 1.117 926 I CA 0.964 62.266 61.300 0.003 0.000 1.404 926 I CB -0.265 37.707 38.000 -0.047 0.000 1.071 926 I HN 0.194 nan 8.210 nan 0.000 0.419 927 I N 0.494 121.042 120.570 -0.038 0.000 2.163 927 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 927 I C 2.574 178.609 176.117 -0.137 0.000 1.085 927 I CA 1.479 62.619 61.300 -0.266 0.000 1.347 927 I CB -0.708 37.115 38.000 -0.295 0.000 1.044 927 I HN 0.281 nan 8.210 nan 0.000 0.408 928 A N 0.494 123.281 122.820 -0.055 0.000 1.978 928 A HA -0.206 4.113 4.320 -0.000 0.000 0.220 928 A C 2.379 179.967 177.584 0.007 0.000 1.170 928 A CA 1.491 53.516 52.037 -0.021 0.000 0.636 928 A CB -0.545 18.448 19.000 -0.011 0.000 0.810 928 A HN 0.345 nan 8.150 nan 0.000 0.448 929 R N -0.867 119.639 120.500 0.009 0.000 2.119 929 R HA -0.044 4.296 4.340 -0.000 0.000 0.222 929 R C 1.916 178.241 176.300 0.041 0.000 1.088 929 R CA 1.549 57.664 56.100 0.025 0.000 0.984 929 R CB -0.166 30.147 30.300 0.022 0.000 0.884 929 R HN 0.605 nan 8.270 nan 0.000 0.447 930 V N -2.427 117.515 119.914 0.046 0.000 3.621 930 V HA 0.116 4.236 4.120 -0.000 0.000 0.263 930 V C 1.938 178.127 176.094 0.159 0.000 1.272 930 V CA 0.363 62.715 62.300 0.088 0.000 1.080 930 V CB 0.098 31.985 31.823 0.108 0.000 0.816 930 V HN 0.034 nan 8.190 nan 0.000 0.451 931 K N 1.226 121.726 120.400 0.167 0.000 2.059 931 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 931 K C 1.179 177.976 176.600 0.328 0.000 1.050 931 K CA 2.418 58.902 56.287 0.329 0.000 0.927 931 K CB -0.210 32.414 32.500 0.208 0.000 0.714 931 K HN 0.601 nan 8.250 nan 0.000 0.447 932 D N -0.137 120.378 120.400 0.192 0.000 2.395 932 D HA 0.086 4.726 4.640 -0.000 0.000 0.226 932 D C 1.057 177.430 176.300 0.121 0.000 1.146 932 D CA 0.363 54.461 54.000 0.164 0.000 0.830 932 D CB 0.611 41.477 40.800 0.108 0.000 0.958 932 D HN 0.310 nan 8.370 nan 0.000 0.501 933 A N 0.575 123.465 122.820 0.117 0.000 1.917 933 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 933 A C 1.348 178.966 177.584 0.057 0.000 1.182 933 A CA 1.591 53.670 52.037 0.070 0.000 0.633 933 A CB -0.181 18.850 19.000 0.052 0.000 0.819 933 A HN 0.249 nan 8.150 nan 0.000 0.448 934 V N -5.917 114.035 119.914 0.064 0.000 3.156 934 V HA 0.859 4.979 4.120 -0.000 0.000 0.310 934 V C 0.194 176.330 176.094 0.070 0.000 1.234 934 V CA -1.141 61.190 62.300 0.051 0.000 1.065 934 V CB 0.872 32.714 31.823 0.031 0.000 1.088 934 V HN 0.871 nan 8.190 nan 0.000 0.451 935 A N 0.255 123.106 122.820 0.052 0.000 2.406 935 A HA 0.582 4.902 4.320 -0.000 0.000 0.243 935 A C 0.539 178.145 177.584 0.036 0.000 1.082 935 A CA 0.210 52.274 52.037 0.046 0.000 0.786 935 A CB -0.284 18.728 19.000 0.019 0.000 1.029 935 A HN 1.064 nan 8.150 nan 0.000 0.495 936 T N 3.190 117.765 114.554 0.035 0.000 2.869 936 T HA 0.419 4.769 4.350 -0.000 0.000 0.295 936 T C -2.293 172.337 174.700 -0.117 0.000 0.987 936 T CA -0.351 61.746 62.100 -0.006 0.000 1.109 936 T CB 0.460 69.374 68.868 0.078 0.000 0.932 936 T HN 0.463 nan 8.240 nan 0.000 0.518 937 P HA 0.269 nan 4.420 nan 0.000 0.265 937 P C 0.137 177.290 177.300 -0.246 0.000 1.187 937 P CA 0.136 63.040 63.100 -0.327 0.000 0.766 937 P CB 0.468 31.796 31.700 -0.620 0.000 0.820 938 G N 0.924 109.606 108.800 -0.195 0.000 3.211 938 G HA2 0.191 4.151 3.960 -0.000 0.000 0.262 938 G HA3 0.191 4.151 3.960 -0.000 0.000 0.262 938 G C 0.576 175.379 174.900 -0.161 0.000 1.352 938 G CA -0.409 44.595 45.100 -0.160 0.000 1.004 938 G HN 0.447 nan 8.290 nan 0.000 0.559 939 E N -1.018 119.104 120.200 -0.130 0.000 2.130 939 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 939 E C 2.293 178.825 176.600 -0.113 0.000 0.998 939 E CA 2.017 58.346 56.400 -0.118 0.000 0.806 939 E CB -0.115 29.531 29.700 -0.090 0.000 0.738 939 E HN 0.439 nan 8.360 nan 0.000 0.459 940 T N 0.616 115.108 114.554 -0.102 0.000 2.708 940 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 940 T C 1.539 176.166 174.700 -0.122 0.000 1.037 940 T CA 1.685 63.727 62.100 -0.097 0.000 1.146 940 T CB -0.238 68.584 68.868 -0.076 0.000 0.865 940 T HN 0.210 nan 8.240 nan 0.000 0.435 941 E N 0.949 121.067 120.200 -0.137 0.000 2.106 941 E HA 0.058 4.408 4.350 -0.000 0.000 0.192 941 E C 2.186 178.674 176.600 -0.186 0.000 0.984 941 E CA 0.546 56.850 56.400 -0.160 0.000 0.806 941 E CB -0.464 29.120 29.700 -0.193 0.000 0.750 941 E HN 0.402 nan 8.360 nan 0.000 0.458 942 L N 0.503 121.608 121.223 -0.195 0.000 2.056 942 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 942 L C 2.160 178.949 176.870 -0.136 0.000 1.078 942 L CA 1.273 56.001 54.840 -0.187 0.000 0.749 942 L CB -0.356 41.584 42.059 -0.200 0.000 0.901 942 L HN 0.085 nan 8.230 nan 0.000 0.433 943 K N -0.316 120.009 120.400 -0.126 0.000 2.097 943 K HA -0.226 4.094 4.320 -0.000 0.000 0.205 943 K C 2.128 178.631 176.600 -0.162 0.000 1.050 943 K CA 1.165 57.388 56.287 -0.107 0.000 0.938 943 K CB -0.104 32.340 32.500 -0.093 0.000 0.718 943 K HN 0.315 nan 8.250 nan 0.000 0.442 944 Q N 0.656 120.322 119.800 -0.223 0.000 2.050 944 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 944 Q C 2.187 177.877 176.000 -0.516 0.000 0.980 944 Q CA 1.564 57.120 55.803 -0.411 0.000 0.840 944 Q CB -0.020 28.496 28.738 -0.370 0.000 0.898 944 Q HN 0.150 nan 8.270 nan 0.000 0.424 945 M N 0.052 119.515 119.600 -0.228 0.000 2.117 945 M HA -0.115 4.365 4.480 -0.000 0.000 0.262 945 M C 1.898 178.242 176.300 0.074 0.000 1.065 945 M CA 1.906 57.208 55.300 0.004 0.000 1.114 945 M CB -0.503 32.118 32.600 0.035 0.000 1.361 945 M HN 0.127 nan 8.290 nan 0.000 0.408 946 T N 0.522 115.078 114.554 0.003 0.000 2.788 946 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 946 T C 1.796 176.544 174.700 0.080 0.000 1.044 946 T CA 1.525 63.660 62.100 0.058 0.000 1.139 946 T CB -0.644 68.255 68.868 0.051 0.000 0.867 946 T HN 0.553 nan 8.240 nan 0.000 0.454 947 A N 1.043 123.850 122.820 -0.022 0.000 1.898 947 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 947 A C 1.930 179.587 177.584 0.120 0.000 1.181 947 A CA 1.192 53.218 52.037 -0.018 0.000 0.620 947 A CB -0.855 18.060 19.000 -0.142 0.000 0.819 947 A HN 0.403 nan 8.150 nan 0.000 0.442 948 F N -1.543 118.455 119.950 0.079 0.000 2.102 948 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 948 F C 2.214 178.068 175.800 0.089 0.000 1.105 948 F CA 0.819 58.865 58.000 0.076 0.000 1.239 948 F CB -1.417 37.636 39.000 0.088 0.000 0.991 948 F HN 0.405 nan 8.300 nan 0.000 0.474 949 Y N 1.075 121.508 120.300 0.221 0.000 2.128 949 Y HA -0.287 4.263 4.550 -0.000 0.000 0.284 949 Y C 2.493 178.429 175.900 0.060 0.000 1.154 949 Y CA 2.080 60.253 58.100 0.122 0.000 1.149 949 Y CB -0.507 38.017 38.460 0.106 0.000 0.976 949 Y HN 0.138 nan 8.280 nan 0.000 0.505 950 Q N -0.458 119.489 119.800 0.246 0.000 2.224 950 Q HA -0.213 4.126 4.340 -0.000 0.000 0.203 950 Q C 2.114 178.136 176.000 0.037 0.000 0.970 950 Q CA 1.459 57.332 55.803 0.116 0.000 0.865 950 Q CB -0.146 28.639 28.738 0.078 0.000 0.922 950 Q HN 0.648 nan 8.270 nan 0.000 0.445 951 E N 1.207 121.443 120.200 0.060 0.000 2.047 951 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 951 E C 1.938 178.511 176.600 -0.046 0.000 0.987 951 E CA 0.582 57.000 56.400 0.029 0.000 0.799 951 E CB 0.000 29.755 29.700 0.091 0.000 0.752 951 E HN 0.295 nan 8.360 nan 0.000 0.449 952 L N 0.885 122.061 121.223 -0.077 0.000 2.017 952 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 952 L C 2.980 179.713 176.870 -0.228 0.000 1.073 952 L CA 1.895 56.631 54.840 -0.174 0.000 0.745 952 L CB -0.870 41.058 42.059 -0.218 0.000 0.894 952 L HN 0.399 nan 8.230 nan 0.000 0.432 953 T N -2.759 111.664 114.554 -0.218 0.000 2.867 953 T HA -0.082 4.268 4.350 -0.000 0.000 0.268 953 T C 1.894 176.510 174.700 -0.139 0.000 1.057 953 T CA 0.871 62.860 62.100 -0.184 0.000 1.136 953 T CB -0.310 68.482 68.868 -0.127 0.000 0.874 953 T HN 0.309 nan 8.240 nan 0.000 0.466 954 A N 1.536 124.294 122.820 -0.103 0.000 1.930 954 A HA 0.234 4.554 4.320 -0.000 0.000 0.217 954 A C 2.417 179.933 177.584 -0.114 0.000 1.175 954 A CA 1.043 53.035 52.037 -0.075 0.000 0.627 954 A CB -0.832 18.145 19.000 -0.039 0.000 0.815 954 A HN 0.527 nan 8.150 nan 0.000 0.443 955 L N -1.024 120.092 121.223 -0.178 0.000 2.046 955 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 955 L C 2.771 179.299 176.870 -0.570 0.000 1.077 955 L CA 1.631 56.301 54.840 -0.283 0.000 0.747 955 L CB -0.446 41.429 42.059 -0.306 0.000 0.896 955 L HN 0.463 nan 8.230 nan 0.000 0.432 956 R N 1.544 121.713 120.500 -0.551 0.000 2.105 956 R HA -0.211 4.129 4.340 -0.000 0.000 0.239 956 R C 2.002 178.164 176.300 -0.229 0.000 1.135 956 R CA 1.969 57.732 56.100 -0.560 0.000 0.967 956 R CB -0.040 30.071 30.300 -0.316 0.000 0.861 956 R HN 0.432 nan 8.270 nan 0.000 0.442 957 K N -0.271 120.057 120.400 -0.119 0.000 2.374 957 K HA 0.080 4.400 4.320 -0.000 0.000 0.196 957 K C 1.324 177.951 176.600 0.044 0.000 1.023 957 K CA 0.728 57.012 56.287 -0.004 0.000 1.103 957 K CB 0.559 33.059 32.500 0.000 0.000 0.848 957 K HN 0.078 nan 8.250 nan 0.000 0.528 958 S N -0.245 115.485 115.700 0.049 0.000 2.515 958 S HA -0.023 4.447 4.470 -0.000 0.000 0.231 958 S C 0.568 175.262 174.600 0.157 0.000 0.987 958 S CA 0.123 58.380 58.200 0.095 0.000 0.936 958 S CB -0.064 63.190 63.200 0.090 0.000 0.766 958 S HN 0.277 nan 8.310 nan 0.000 0.528 959 S N 0.768 116.618 115.700 0.249 0.000 2.535 959 S HA 0.476 4.946 4.470 -0.000 0.000 0.272 959 S C -2.649 172.038 174.600 0.145 0.000 1.149 959 S CA -1.086 57.212 58.200 0.163 0.000 0.888 959 S CB 1.851 65.101 63.200 0.083 0.000 1.110 959 S HN 0.011 nan 8.310 nan 0.000 0.463 960 P HA 0.032 nan 4.420 nan 0.000 0.230 960 P C 1.353 178.650 177.300 -0.005 0.000 1.158 960 P CA 0.522 63.642 63.100 0.034 0.000 0.769 960 P CB 0.016 31.722 31.700 0.011 0.000 0.807 961 L N -2.183 118.986 121.223 -0.090 0.000 2.275 961 L HA -0.068 4.272 4.340 -0.000 0.000 0.215 961 L C 2.266 179.005 176.870 -0.219 0.000 1.119 961 L CA 1.049 55.771 54.840 -0.197 0.000 0.790 961 L CB -0.850 41.015 42.059 -0.324 0.000 0.919 961 L HN -0.129 nan 8.230 nan 0.000 0.443 962 F N -0.251 119.674 119.950 -0.043 0.000 2.456 962 F HA -0.071 4.455 4.527 -0.000 0.000 0.298 962 F C 1.577 177.347 175.800 -0.049 0.000 1.104 962 F CA 0.794 58.764 58.000 -0.049 0.000 1.435 962 F CB -0.257 38.715 39.000 -0.046 0.000 1.078 962 F HN 0.043 nan 8.300 nan 0.000 0.546 963 T N -2.497 112.131 114.554 0.123 0.000 3.585 963 T HA 0.338 4.688 4.350 -0.000 0.000 0.252 963 T C 0.933 175.644 174.700 0.018 0.000 1.382 963 T CA -0.229 61.904 62.100 0.054 0.000 1.584 963 T CB -0.548 68.347 68.868 0.045 0.000 0.892 963 T HN 0.073 nan 8.240 nan 0.000 0.671 964 L N 1.065 122.290 121.223 0.003 0.000 2.131 964 L HA 0.125 4.465 4.340 -0.000 0.000 0.210 964 L C 2.596 179.467 176.870 0.002 0.000 1.092 964 L CA 1.557 56.395 54.840 -0.003 0.000 0.759 964 L CB -0.883 41.171 42.059 -0.009 0.000 0.903 964 L HN 0.836 nan 8.230 nan 0.000 0.435 965 G N -0.740 108.059 108.800 -0.002 0.000 3.078 965 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.227 965 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.227 965 G C 0.216 175.124 174.900 0.013 0.000 1.306 965 G CA 0.357 45.456 45.100 -0.001 0.000 0.841 965 G HN 0.382 nan 8.290 nan 0.000 0.530 966 D N 1.885 122.296 120.400 0.019 0.000 2.277 966 D HA 0.453 5.093 4.640 -0.000 0.000 0.249 966 D C 1.529 177.849 176.300 0.033 0.000 1.134 966 D CA 0.477 54.495 54.000 0.028 0.000 0.863 966 D CB 1.048 41.865 40.800 0.028 0.000 1.143 966 D HN 0.310 nan 8.370 nan 0.000 0.458 967 G N 2.329 111.153 108.800 0.040 0.000 2.469 967 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.219 967 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.219 967 G C 1.460 176.400 174.900 0.067 0.000 1.150 967 G CA 1.079 46.211 45.100 0.053 0.000 0.763 967 G HN 0.561 nan 8.290 nan 0.000 0.561 968 A N 0.020 122.870 122.820 0.051 0.000 1.972 968 A HA 0.010 4.330 4.320 -0.000 0.000 0.219 968 A C 2.516 180.126 177.584 0.042 0.000 1.169 968 A CA 2.384 54.447 52.037 0.044 0.000 0.635 968 A CB -0.756 18.263 19.000 0.031 0.000 0.810 968 A HN 0.308 nan 8.150 nan 0.000 0.446 969 T N -0.554 114.022 114.554 0.037 0.000 2.857 969 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 969 T C 1.859 176.584 174.700 0.041 0.000 1.048 969 T CA 1.356 63.472 62.100 0.027 0.000 1.139 969 T CB -0.285 68.593 68.868 0.016 0.000 0.874 969 T HN 0.159 nan 8.240 nan 0.000 0.455 970 V N 1.725 121.676 119.914 0.063 0.000 2.295 970 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 970 V C 2.453 178.664 176.094 0.195 0.000 1.049 970 V CA 1.675 64.034 62.300 0.098 0.000 1.024 970 V CB -0.576 31.301 31.823 0.090 0.000 0.648 970 V HN 0.500 nan 8.190 nan 0.000 0.447 971 M N -0.818 118.897 119.600 0.191 0.000 2.279 971 M HA -0.180 4.300 4.480 -0.000 0.000 0.264 971 M C 2.097 178.420 176.300 0.038 0.000 1.062 971 M CA 1.695 57.076 55.300 0.135 0.000 1.099 971 M CB -0.381 32.257 32.600 0.063 0.000 1.394 971 M HN 0.213 nan 8.290 nan 0.000 0.426 972 K N -0.469 119.953 120.400 0.037 0.000 2.305 972 K HA 0.012 4.331 4.320 -0.000 0.000 0.199 972 K C 1.723 178.326 176.600 0.006 0.000 1.047 972 K CA 0.681 56.973 56.287 0.008 0.000 0.976 972 K CB 0.292 32.795 32.500 0.005 0.000 0.765 972 K HN 0.323 nan 8.250 nan 0.000 0.474 973 R N -0.374 120.138 120.500 0.021 0.000 2.342 973 R HA 0.156 4.496 4.340 -0.000 0.000 0.204 973 R C -0.066 176.229 176.300 -0.007 0.000 0.882 973 R CA -0.054 56.044 56.100 -0.005 0.000 1.041 973 R CB 0.959 31.243 30.300 -0.026 0.000 1.188 973 R HN -0.139 nan 8.270 nan 0.000 0.598 974 V N 1.943 121.890 119.914 0.055 0.000 2.465 974 V HA 0.255 4.375 4.120 -0.000 0.000 0.279 974 V C -0.387 175.779 176.094 0.120 0.000 1.045 974 V CA -0.344 61.974 62.300 0.031 0.000 0.938 974 V CB 1.489 33.330 31.823 0.029 0.000 0.986 974 V HN 0.068 nan 8.190 nan 0.000 0.467 975 D N 1.933 122.277 120.400 -0.093 0.000 2.664 975 D HA 0.624 5.264 4.640 -0.000 0.000 0.292 975 D C -1.544 174.563 176.300 -0.321 0.000 1.214 975 D CA -0.323 53.673 54.000 -0.008 0.000 0.932 975 D CB 2.185 42.997 40.800 0.020 0.000 1.420 975 D HN 0.219 nan 8.370 nan 0.000 0.471 976 F N 0.066 120.099 119.950 0.138 0.000 2.599 976 F HA 0.601 5.128 4.527 -0.000 0.000 0.311 976 F C 0.714 176.557 175.800 0.072 0.000 1.076 976 F CA -0.833 57.232 58.000 0.108 0.000 0.937 976 F CB 1.691 40.755 39.000 0.107 0.000 1.282 976 F HN -0.062 nan 8.300 nan 0.000 0.460 977 R N 0.129 120.782 120.500 0.254 0.000 2.960 977 R HA 0.366 4.705 4.340 -0.000 0.000 0.249 977 R C -0.247 176.126 176.300 0.122 0.000 1.192 977 R CA -1.156 55.019 56.100 0.125 0.000 1.035 977 R CB 0.738 31.074 30.300 0.061 0.000 1.234 977 R HN 0.851 nan 8.270 nan 0.000 0.493 978 N N 0.597 119.330 118.700 0.054 0.000 2.714 978 N HA -0.197 4.543 4.740 -0.000 0.000 0.253 978 N C -1.068 174.468 175.510 0.043 0.000 1.024 978 N CA 0.851 53.926 53.050 0.041 0.000 0.726 978 N CB -0.347 38.171 38.487 0.052 0.000 0.908 978 N HN 0.683 nan 8.380 nan 0.000 0.542 979 T N -1.959 112.619 114.554 0.039 0.000 2.940 979 T HA 0.832 5.182 4.350 -0.000 0.000 0.288 979 T C 0.797 175.506 174.700 0.014 0.000 1.045 979 T CA 0.169 62.286 62.100 0.029 0.000 1.018 979 T CB 2.168 71.065 68.868 0.047 0.000 1.151 979 T HN 0.854 nan 8.240 nan 0.000 0.529 980 G N -0.054 108.752 108.800 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 0.747 175.650 174.900 0.005 0.000 1.328 980 G CA -0.114 44.990 45.100 0.006 0.000 0.884 980 G HN 1.583 nan 8.290 nan 0.000 0.531 981 A N -1.344 121.478 122.820 0.003 0.000 2.066 981 A HA 0.252 4.572 4.320 -0.000 0.000 0.218 981 A C 1.578 179.162 177.584 0.000 0.000 1.157 981 A CA 2.308 54.346 52.037 0.002 0.000 0.670 981 A CB -0.130 18.870 19.000 0.001 0.000 0.804 981 A HN 0.581 nan 8.150 nan 0.000 0.453 982 D N 0.098 120.497 120.400 -0.002 0.000 2.358 982 D HA 0.067 4.707 4.640 -0.000 0.000 0.224 982 D C 0.683 176.981 176.300 -0.005 0.000 1.123 982 D CA -0.043 53.955 54.000 -0.004 0.000 0.833 982 D CB -0.082 40.714 40.800 -0.007 0.000 0.946 982 D HN 0.808 nan 8.370 nan 0.000 0.505 983 Q N 0.046 119.845 119.800 -0.002 0.000 2.417 983 Q HA 0.157 4.497 4.340 -0.000 0.000 0.241 983 Q C -0.285 175.711 176.000 -0.007 0.000 1.008 983 Q CA -0.207 55.595 55.803 -0.002 0.000 0.901 983 Q CB 0.842 29.581 28.738 0.002 0.000 1.259 983 Q HN 0.018 nan 8.270 nan 0.000 0.489 984 Q N 1.868 121.663 119.800 -0.009 0.000 2.377 984 Q HA 0.175 4.515 4.340 -0.000 0.000 0.249 984 Q C -0.689 175.296 176.000 -0.026 0.000 1.005 984 Q CA -0.269 55.523 55.803 -0.019 0.000 0.912 984 Q CB 1.063 29.787 28.738 -0.023 0.000 1.223 984 Q HN 0.582 nan 8.270 nan 0.000 0.459 985 T N 1.563 116.102 114.554 -0.025 0.000 2.891 985 T HA 0.088 4.437 4.350 -0.000 0.000 0.296 985 T C 1.318 175.988 174.700 -0.050 0.000 1.025 985 T CA 1.170 63.254 62.100 -0.026 0.000 1.149 985 T CB 0.361 69.220 68.868 -0.015 0.000 1.007 985 T HN 0.996 nan 8.240 nan 0.000 0.528 986 G N 1.865 110.639 108.800 -0.044 0.000 2.241 986 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.244 986 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.244 986 G C -0.012 174.842 174.900 -0.077 0.000 0.998 986 G CA 0.013 45.071 45.100 -0.070 0.000 0.621 986 G HN 0.779 nan 8.290 nan 0.000 0.519 987 L N 2.172 123.362 121.223 -0.055 0.000 2.260 987 L HA 0.737 5.077 4.340 -0.000 0.000 0.289 987 L C 0.091 176.971 176.870 0.017 0.000 1.057 987 L CA -0.694 54.127 54.840 -0.031 0.000 0.811 987 L CB 0.721 42.765 42.059 -0.025 0.000 1.184 987 L HN 0.156 nan 8.230 nan 0.000 0.429 988 L N 6.370 127.616 121.223 0.039 0.000 2.272 988 L HA 0.552 4.892 4.340 -0.000 0.000 0.289 988 L C -0.735 176.222 176.870 0.145 0.000 1.032 988 L CA -0.718 54.180 54.840 0.097 0.000 0.810 988 L CB 1.548 43.661 42.059 0.091 0.000 1.205 988 L HN 0.308 nan 8.230 nan 0.000 0.422 989 V N 4.881 124.924 119.914 0.215 0.000 2.349 989 V HA 0.413 4.532 4.120 -0.000 0.000 0.284 989 V C -0.147 176.089 176.094 0.237 0.000 1.014 989 V CA -0.299 62.124 62.300 0.207 0.000 0.826 989 V CB 1.738 33.688 31.823 0.212 0.000 1.009 989 V HN 0.775 nan 8.190 nan 0.000 0.431 990 M N 5.188 124.840 119.600 0.085 0.000 2.364 990 M HA 0.671 5.151 4.480 -0.000 0.000 0.334 990 M C -0.151 176.036 176.300 -0.188 0.000 1.107 990 M CA -0.169 54.984 55.300 -0.245 0.000 0.988 990 M CB 2.079 34.492 32.600 -0.313 0.000 1.673 990 M HN 0.760 nan 8.290 nan 0.000 0.441 991 T N 2.835 117.246 114.554 -0.239 0.000 2.855 991 T HA 0.716 5.066 4.350 -0.000 0.000 0.281 991 T C -0.502 174.088 174.700 -0.183 0.000 1.007 991 T CA -0.756 61.265 62.100 -0.132 0.000 1.009 991 T CB 1.188 70.061 68.868 0.008 0.000 0.983 991 T HN 0.636 nan 8.240 nan 0.000 0.455 992 I N 2.246 122.711 120.570 -0.176 0.000 2.439 992 I HA 0.312 4.481 4.170 -0.000 0.000 0.283 992 I C -0.608 175.426 176.117 -0.138 0.000 1.023 992 I CA -0.880 60.312 61.300 -0.179 0.000 1.100 992 I CB 1.691 39.529 38.000 -0.269 0.000 1.238 992 I HN 0.656 nan 8.210 nan 0.000 0.445 993 D N 4.046 124.392 120.400 -0.091 0.000 2.345 993 D HA 0.126 4.766 4.640 -0.000 0.000 0.247 993 D C -0.103 176.156 176.300 -0.069 0.000 1.108 993 D CA 0.496 54.456 54.000 -0.065 0.000 0.894 993 D CB 1.435 42.212 40.800 -0.038 0.000 1.203 993 D HN 0.550 nan 8.370 nan 0.000 0.430 994 D N 1.228 121.592 120.400 -0.061 0.000 2.602 994 D HA 0.243 4.883 4.640 -0.000 0.000 0.265 994 D C 0.374 176.652 176.300 -0.038 0.000 1.454 994 D CA -0.294 53.673 54.000 -0.055 0.000 0.795 994 D CB 0.266 41.025 40.800 -0.068 0.000 1.140 994 D HN 0.393 nan 8.370 nan 0.000 0.486 995 G N 0.059 108.840 108.800 -0.031 0.000 2.588 995 G HA2 0.256 4.216 3.960 -0.000 0.000 0.281 995 G HA3 0.256 4.216 3.960 -0.000 0.000 0.281 995 G C 1.211 176.100 174.900 -0.018 0.000 1.236 995 G CA -0.455 44.632 45.100 -0.022 0.000 0.969 995 G HN 0.118 nan 8.290 nan 0.000 0.504 996 M N -0.812 118.780 119.600 -0.014 0.000 2.144 996 M HA -0.174 4.305 4.480 -0.000 0.000 0.260 996 M C 2.568 178.861 176.300 -0.012 0.000 1.067 996 M CA 1.610 56.903 55.300 -0.012 0.000 1.095 996 M CB -0.264 32.330 32.600 -0.010 0.000 1.365 996 M HN 0.568 nan 8.290 nan 0.000 0.406 997 Q N -0.438 119.355 119.800 -0.012 0.000 2.369 997 Q HA -0.016 4.324 4.340 -0.000 0.000 0.206 997 Q C 2.082 178.075 176.000 -0.013 0.000 0.963 997 Q CA 1.040 56.836 55.803 -0.012 0.000 0.894 997 Q CB -0.037 28.694 28.738 -0.011 0.000 0.965 997 Q HN 0.593 nan 8.270 nan 0.000 0.475 998 A N 0.077 122.888 122.820 -0.015 0.000 2.021 998 A HA 0.333 4.653 4.320 -0.000 0.000 0.216 998 A C 1.148 178.724 177.584 -0.013 0.000 1.163 998 A CA 1.224 53.252 52.037 -0.016 0.000 0.676 998 A CB 0.073 19.059 19.000 -0.022 0.000 0.818 998 A HN 0.442 nan 8.150 nan 0.000 0.453 999 G N -1.688 107.104 108.800 -0.013 0.000 2.253 999 G HA2 0.430 4.390 3.960 -0.000 0.000 0.190 999 G HA3 0.430 4.390 3.960 -0.000 0.000 0.190 999 G C 0.160 175.053 174.900 -0.012 0.000 1.274 999 G CA -0.192 44.901 45.100 -0.011 0.000 1.275 999 G HN 1.385 nan 8.290 nan 0.000 0.518 1000 A N -0.235 122.578 122.820 -0.011 0.000 2.304 1000 A HA 0.734 5.054 4.320 -0.000 0.000 0.271 1000 A C 0.904 178.478 177.584 -0.017 0.000 1.091 1000 A CA 1.204 53.234 52.037 -0.012 0.000 0.812 1000 A CB 0.822 19.816 19.000 -0.009 0.000 1.056 1000 A HN 2.124 nan 8.150 nan 0.000 0.489 1001 S N 0.937 116.627 115.700 -0.017 0.000 2.430 1001 S HA 0.286 4.756 4.470 -0.000 0.000 0.282 1001 S C 0.779 175.366 174.600 -0.021 0.000 1.186 1001 S CA -0.550 57.637 58.200 -0.022 0.000 1.060 1001 S CB -0.540 62.648 63.200 -0.020 0.000 0.966 1001 S HN 0.528 nan 8.310 nan 0.000 0.501 1002 L N 3.043 124.250 121.223 -0.027 0.000 2.446 1002 L HA 0.305 4.645 4.340 -0.000 0.000 0.219 1002 L C 0.590 177.446 176.870 -0.024 0.000 1.116 1002 L CA 0.274 55.100 54.840 -0.024 0.000 0.844 1002 L CB 0.033 42.075 42.059 -0.028 0.000 0.970 1002 L HN 0.535 nan 8.230 nan 0.000 0.457 1003 D N -0.602 119.779 120.400 -0.032 0.000 2.473 1003 D HA 0.096 4.735 4.640 -0.000 0.000 0.253 1003 D C 0.934 177.218 176.300 -0.026 0.000 1.233 1003 D CA -0.106 53.876 54.000 -0.029 0.000 0.908 1003 D CB 1.551 42.324 40.800 -0.045 0.000 1.170 1003 D HN -0.038 nan 8.370 nan 0.000 0.558 1004 S N 3.258 118.947 115.700 -0.017 0.000 2.507 1004 S HA -0.097 4.373 4.470 -0.000 0.000 0.235 1004 S C 1.369 175.960 174.600 -0.016 0.000 0.988 1004 S CA 0.478 58.669 58.200 -0.015 0.000 0.944 1004 S CB 0.007 63.201 63.200 -0.011 0.000 0.762 1004 S HN 0.492 nan 8.310 nan 0.000 0.526 1005 R N 0.691 121.181 120.500 -0.017 0.000 2.265 1005 R HA 0.300 4.640 4.340 -0.000 0.000 0.194 1005 R C 0.351 176.637 176.300 -0.024 0.000 0.931 1005 R CA 0.577 56.667 56.100 -0.016 0.000 1.032 1005 R CB 0.369 30.663 30.300 -0.010 0.000 0.980 1005 R HN 0.519 nan 8.270 nan 0.000 0.497 1006 V N -2.916 116.977 119.914 -0.034 0.000 3.049 1006 V HA 0.388 4.508 4.120 -0.000 0.000 0.309 1006 V C -0.714 175.351 176.094 -0.050 0.000 1.148 1006 V CA -0.969 61.304 62.300 -0.045 0.000 0.990 1006 V CB 2.686 34.471 31.823 -0.062 0.000 1.039 1006 V HN -0.159 nan 8.190 nan 0.000 0.430 1007 D N 1.575 121.946 120.400 -0.049 0.000 2.369 1007 D HA 0.457 5.097 4.640 -0.000 0.000 0.211 1007 D C 0.632 176.896 176.300 -0.059 0.000 1.077 1007 D CA 1.413 55.386 54.000 -0.045 0.000 0.842 1007 D CB 1.376 42.158 40.800 -0.031 0.000 0.947 1007 D HN 1.190 nan 8.370 nan 0.000 0.509 1008 G N 0.178 108.929 108.800 -0.082 0.000 2.377 1008 G HA2 0.448 4.408 3.960 -0.000 0.000 0.297 1008 G HA3 0.448 4.408 3.960 -0.000 0.000 0.297 1008 G C -1.707 173.105 174.900 -0.147 0.000 1.547 1008 G CA -0.739 44.297 45.100 -0.108 0.000 0.833 1008 G HN -0.002 nan 8.290 nan 0.000 0.583 1009 I N 0.006 120.461 120.570 -0.193 0.000 2.730 1009 I HA 0.581 4.750 4.170 -0.000 0.000 0.298 1009 I C -0.588 175.395 176.117 -0.222 0.000 1.089 1009 I CA -1.270 59.894 61.300 -0.227 0.000 1.041 1009 I CB 2.576 40.362 38.000 -0.357 0.000 1.235 1009 I HN 0.282 nan 8.210 nan 0.000 0.423 1010 V N 5.961 125.744 119.914 -0.218 0.000 2.487 1010 V HA 0.407 4.527 4.120 -0.000 0.000 0.298 1010 V C -0.378 175.651 176.094 -0.108 0.000 1.028 1010 V CA -0.692 61.473 62.300 -0.225 0.000 0.860 1010 V CB 2.154 33.693 31.823 -0.473 0.000 0.991 1010 V HN 0.368 nan 8.190 nan 0.000 0.427 1011 V N 4.151 124.040 119.914 -0.041 0.000 2.384 1011 V HA 0.787 4.907 4.120 -0.000 0.000 0.287 1011 V C 0.298 176.414 176.094 0.036 0.000 1.020 1011 V CA -0.368 61.954 62.300 0.037 0.000 0.850 1011 V CB 1.580 33.463 31.823 0.099 0.000 0.987 1011 V HN 0.982 nan 8.190 nan 0.000 0.436 1012 A N 6.858 129.694 122.820 0.027 0.000 2.311 1012 A HA 0.845 5.165 4.320 -0.000 0.000 0.306 1012 A C -0.738 176.860 177.584 0.024 0.000 1.189 1012 A CA -0.402 51.656 52.037 0.036 0.000 0.791 1012 A CB 0.573 19.588 19.000 0.024 0.000 1.172 1012 A HN 0.777 nan 8.150 nan 0.000 0.481 1013 I N 3.012 123.601 120.570 0.031 0.000 2.390 1013 I HA 0.220 4.389 4.170 -0.000 0.000 0.283 1013 I C 0.260 176.366 176.117 -0.018 0.000 1.016 1013 I CA -0.187 61.121 61.300 0.013 0.000 1.151 1013 I CB 1.453 39.473 38.000 0.033 0.000 1.293 1013 I HN 0.776 nan 8.210 nan 0.000 0.458 1014 N N 5.982 124.648 118.700 -0.057 0.000 2.918 1014 N HA 0.336 5.076 4.740 -0.000 0.000 0.247 1014 N C -0.010 175.335 175.510 -0.275 0.000 1.117 1014 N CA -0.279 52.685 53.050 -0.142 0.000 1.005 1014 N CB 0.739 39.139 38.487 -0.145 0.000 1.297 1014 N HN 0.720 nan 8.380 nan 0.000 0.513 1015 A N 2.634 125.300 122.820 -0.256 0.000 3.056 1015 A HA 0.572 4.892 4.320 -0.000 0.000 0.274 1015 A C -0.083 176.959 177.584 -0.903 0.000 1.661 1015 A CA -0.302 51.501 52.037 -0.390 0.000 1.363 1015 A CB -0.306 18.708 19.000 0.023 0.000 1.139 1015 A HN 0.630 nan 8.150 nan 0.000 0.598 1016 A N 1.970 123.885 122.820 -1.508 0.000 2.608 1016 A HA 0.794 5.113 4.320 -0.000 0.000 0.292 1016 A C -2.687 174.189 177.584 -1.181 0.000 1.066 1016 A CA -0.974 50.395 52.037 -1.113 0.000 0.676 1016 A CB 0.905 19.617 19.000 -0.479 0.000 1.277 1016 A HN 0.157 nan 8.150 nan 0.000 0.413 1017 P HA 0.073 nan 4.420 nan 0.000 0.245 1017 P C 0.059 177.303 177.300 -0.093 0.000 1.212 1017 P CA 0.776 63.820 63.100 -0.093 0.000 0.774 1017 P CB 0.380 32.183 31.700 0.172 0.000 0.999 1018 E N -0.367 119.737 120.200 -0.160 0.000 2.222 1018 E HA 0.396 4.746 4.350 -0.000 0.000 0.267 1018 E C -0.226 176.309 176.600 -0.108 0.000 0.963 1018 E CA -0.848 55.496 56.400 -0.093 0.000 0.837 1018 E CB 1.231 30.886 29.700 -0.074 0.000 1.183 1018 E HN -0.120 nan 8.360 nan 0.000 0.403 1019 S N 1.097 116.762 115.700 -0.058 0.000 2.565 1019 S HA 0.401 4.871 4.470 -0.000 0.000 0.274 1019 S C -0.247 174.324 174.600 -0.047 0.000 1.309 1019 S CA -0.460 57.711 58.200 -0.047 0.000 1.043 1019 S CB 0.626 63.815 63.200 -0.018 0.000 0.939 1019 S HN 0.253 nan 8.310 nan 0.000 0.504 1020 R N 1.157 121.630 120.500 -0.044 0.000 2.670 1020 R HA 0.571 4.911 4.340 -0.000 0.000 0.289 1020 R C -0.824 175.472 176.300 -0.007 0.000 0.965 1020 R CA -0.336 55.745 56.100 -0.031 0.000 0.899 1020 R CB 1.761 32.035 30.300 -0.043 0.000 1.173 1020 R HN 0.529 nan 8.270 nan 0.000 0.456 1021 T N 3.661 118.217 114.554 0.002 0.000 2.779 1021 T HA 0.483 4.833 4.350 -0.000 0.000 0.280 1021 T C -0.388 174.331 174.700 0.031 0.000 0.987 1021 T CA -0.621 61.490 62.100 0.018 0.000 0.966 1021 T CB 0.638 69.513 68.868 0.013 0.000 0.933 1021 T HN 0.187 nan 8.240 nan 0.000 0.442 1022 L N 3.549 124.810 121.223 0.063 0.000 2.264 1022 L HA 0.399 4.739 4.340 -0.000 0.000 0.289 1022 L C 1.116 178.034 176.870 0.080 0.000 1.044 1022 L CA -0.532 54.365 54.840 0.095 0.000 0.807 1022 L CB 1.184 43.372 42.059 0.215 0.000 1.192 1022 L HN 0.539 nan 8.230 nan 0.000 0.425 1023 Q N 1.176 120.984 119.800 0.012 0.000 2.217 1023 Q HA 0.010 4.350 4.340 -0.000 0.000 0.217 1023 Q C 0.496 176.449 176.000 -0.078 0.000 0.844 1023 Q CA 0.152 55.950 55.803 -0.009 0.000 0.957 1023 Q CB 0.687 29.413 28.738 -0.019 0.000 1.127 1023 Q HN 0.775 nan 8.270 nan 0.000 0.503 1024 D N -0.970 119.301 120.400 -0.214 0.000 2.336 1024 D HA -0.061 4.579 4.640 -0.000 0.000 0.229 1024 D C 0.430 176.355 176.300 -0.626 0.000 1.061 1024 D CA 0.119 53.862 54.000 -0.427 0.000 0.875 1024 D CB -0.527 39.944 40.800 -0.548 0.000 0.904 1024 D HN 0.131 nan 8.370 nan 0.000 0.525 1025 F N 0.312 120.259 119.950 -0.005 0.000 2.735 1025 F HA 0.458 4.985 4.527 -0.000 0.000 0.308 1025 F C 0.974 176.770 175.800 -0.007 0.000 1.112 1025 F CA -0.996 56.999 58.000 -0.008 0.000 1.235 1025 F CB 0.323 39.318 39.000 -0.009 0.000 1.027 1025 F HN -0.062 nan 8.300 nan 0.000 0.528 1026 A N 0.573 123.448 122.820 0.092 0.000 2.540 1026 A HA 0.388 4.708 4.320 -0.000 0.000 0.239 1026 A C 1.393 179.010 177.584 0.054 0.000 1.061 1026 A CA 0.708 52.782 52.037 0.062 0.000 0.758 1026 A CB -0.635 18.379 19.000 0.023 0.000 0.991 1026 A HN 1.004 nan 8.150 nan 0.000 0.502 1027 G N 2.252 111.081 108.800 0.048 0.000 2.359 1027 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.298 1027 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.298 1027 G C 0.360 175.288 174.900 0.046 0.000 1.030 1027 G CA 0.607 45.729 45.100 0.036 0.000 1.149 1027 G HN 1.441 nan 8.290 nan 0.000 0.512 1028 T N -0.625 113.964 114.554 0.059 0.000 3.130 1028 T HA 0.332 4.682 4.350 -0.000 0.000 0.288 1028 T C 1.348 176.067 174.700 0.032 0.000 0.936 1028 T CA 1.037 63.175 62.100 0.063 0.000 0.897 1028 T CB 0.270 69.215 68.868 0.128 0.000 1.178 1028 T HN 2.187 nan 8.240 nan 0.000 0.543 1029 S N 1.031 116.744 115.700 0.023 0.000 3.550 1029 S HA -0.183 4.287 4.470 -0.000 0.000 0.372 1029 S C -0.088 174.504 174.600 -0.013 0.000 0.966 1029 S CA -0.154 58.049 58.200 0.005 0.000 1.229 1029 S CB -2.344 60.857 63.200 0.002 0.000 0.917 1029 S HN 0.375 nan 8.310 nan 0.000 0.496 1030 L N 1.412 122.622 121.223 -0.021 0.000 2.349 1030 L HA 0.558 4.898 4.340 -0.000 0.000 0.275 1030 L C 0.410 177.250 176.870 -0.051 0.000 1.115 1030 L CA 0.617 55.418 54.840 -0.065 0.000 0.820 1030 L CB 1.213 43.203 42.059 -0.116 0.000 1.135 1030 L HN 0.651 nan 8.230 nan 0.000 0.445 1031 Q N 3.099 122.865 119.800 -0.056 0.000 2.394 1031 Q HA 0.434 4.774 4.340 -0.000 0.000 0.273 1031 Q C -1.312 174.665 176.000 -0.039 0.000 1.089 1031 Q CA -1.201 54.581 55.803 -0.037 0.000 0.812 1031 Q CB 2.698 31.421 28.738 -0.025 0.000 1.353 1031 Q HN 0.492 nan 8.270 nan 0.000 0.438 1032 L N 1.382 122.590 121.223 -0.024 0.000 2.416 1032 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 1032 L C 0.087 176.954 176.870 -0.006 0.000 1.161 1032 L CA 0.602 55.432 54.840 -0.016 0.000 0.845 1032 L CB 1.292 43.348 42.059 -0.005 0.000 1.119 1032 L HN 0.693 nan 8.230 nan 0.000 0.464 1033 S N 3.592 119.294 115.700 0.003 0.000 2.573 1033 S HA 0.129 4.599 4.470 -0.000 0.000 0.297 1033 S C 1.492 176.101 174.600 0.015 0.000 1.280 1033 S CA 0.142 58.352 58.200 0.017 0.000 1.061 1033 S CB 0.544 63.765 63.200 0.036 0.000 0.812 1033 S HN 0.964 nan 8.310 nan 0.000 0.500 1034 A N 5.613 128.442 122.820 0.014 0.000 1.940 1034 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 1034 A C 2.011 179.604 177.584 0.014 0.000 1.176 1034 A CA 1.615 53.660 52.037 0.012 0.000 0.631 1034 A CB -0.705 18.301 19.000 0.010 0.000 0.814 1034 A HN 0.923 nan 8.150 nan 0.000 0.446 1035 I N -0.690 119.890 120.570 0.017 0.000 2.179 1035 I HA -0.320 3.850 4.170 -0.000 0.000 0.242 1035 I C 2.811 178.940 176.117 0.020 0.000 1.088 1035 I CA 1.604 62.913 61.300 0.015 0.000 1.357 1035 I CB -0.399 37.607 38.000 0.010 0.000 1.051 1035 I HN 0.449 nan 8.210 nan 0.000 0.409 1036 Q N 0.133 119.946 119.800 0.022 0.000 2.123 1036 Q HA -0.216 4.124 4.340 -0.000 0.000 0.199 1036 Q C 2.251 178.269 176.000 0.031 0.000 0.966 1036 Q CA 1.161 56.982 55.803 0.030 0.000 0.845 1036 Q CB -0.099 28.655 28.738 0.026 0.000 0.907 1036 Q HN 0.590 nan 8.270 nan 0.000 0.439 1037 Q N 0.299 120.112 119.800 0.022 0.000 2.096 1037 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 1037 Q C 2.124 178.136 176.000 0.021 0.000 0.982 1037 Q CA 1.387 57.202 55.803 0.020 0.000 0.850 1037 Q CB -0.261 28.485 28.738 0.014 0.000 0.901 1037 Q HN 0.356 nan 8.270 nan 0.000 0.422 1038 A N 1.061 123.893 122.820 0.019 0.000 2.019 1038 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 1038 A C 2.209 179.806 177.584 0.020 0.000 1.164 1038 A CA 1.501 53.548 52.037 0.017 0.000 0.644 1038 A CB -0.545 18.463 19.000 0.013 0.000 0.805 1038 A HN 0.394 nan 8.150 nan 0.000 0.449 1039 A N -1.369 121.470 122.820 0.030 0.000 2.167 1039 A HA 0.407 4.727 4.320 -0.000 0.000 0.214 1039 A C 1.928 179.535 177.584 0.039 0.000 1.151 1039 A CA 1.427 53.486 52.037 0.038 0.000 0.735 1039 A CB -1.172 17.865 19.000 0.061 0.000 0.802 1039 A HN 1.915 nan 8.150 nan 0.000 0.467 1040 G N 0.965 109.787 108.800 0.037 0.000 2.596 1040 G HA2 -0.438 3.522 3.960 -0.000 0.000 0.295 1040 G HA3 -0.438 3.522 3.960 -0.000 0.000 0.295 1040 G C 0.439 175.369 174.900 0.051 0.000 1.240 1040 G CA 0.847 45.969 45.100 0.036 0.000 0.985 1040 G HN 0.922 nan 8.290 nan 0.000 0.555 1041 D N 0.555 120.983 120.400 0.045 0.000 2.371 1041 D HA 0.057 4.697 4.640 -0.000 0.000 0.234 1041 D C 1.912 178.258 176.300 0.077 0.000 1.049 1041 D CA 0.806 54.842 54.000 0.059 0.000 0.907 1041 D CB -0.179 40.647 40.800 0.044 0.000 0.891 1041 D HN 0.609 nan 8.370 nan 0.000 0.531 1042 R N -0.367 120.174 120.500 0.068 0.000 2.362 1042 R HA 0.188 4.528 4.340 -0.000 0.000 0.227 1042 R C 0.570 176.978 176.300 0.180 0.000 0.905 1042 R CA -0.178 55.954 56.100 0.054 0.000 1.067 1042 R CB 0.485 30.774 30.300 -0.017 0.000 1.078 1042 R HN 0.004 nan 8.270 nan 0.000 0.516 1043 S N 0.206 116.025 115.700 0.199 0.000 2.601 1043 S HA 0.191 4.661 4.470 -0.000 0.000 0.271 1043 S C 1.204 175.974 174.600 0.283 0.000 1.305 1043 S CA -0.585 57.754 58.200 0.233 0.000 1.022 1043 S CB 0.864 64.135 63.200 0.119 0.000 0.940 1043 S HN 0.199 nan 8.310 nan 0.000 0.525 1044 L N 2.743 124.058 121.223 0.153 0.000 2.465 1044 L HA 0.051 4.391 4.340 -0.000 0.000 0.224 1044 L C 2.053 178.907 176.870 -0.026 0.000 1.145 1044 L CA 0.951 55.722 54.840 -0.116 0.000 0.834 1044 L CB -0.400 41.505 42.059 -0.258 0.000 0.944 1044 L HN 0.812 nan 8.230 nan 0.000 0.451 1045 A N -1.343 121.495 122.820 0.030 0.000 2.423 1045 A HA 0.099 4.419 4.320 -0.000 0.000 0.246 1045 A C 0.998 178.608 177.584 0.044 0.000 1.278 1045 A CA -0.111 51.941 52.037 0.025 0.000 0.903 1045 A CB -0.053 18.958 19.000 0.019 0.000 0.997 1045 A HN 0.181 nan 8.150 nan 0.000 0.510 1046 S N -0.239 115.504 115.700 0.072 0.000 2.537 1046 S HA 0.395 4.865 4.470 -0.000 0.000 0.286 1046 S C 1.478 176.112 174.600 0.057 0.000 1.299 1046 S CA 1.110 59.354 58.200 0.073 0.000 1.067 1046 S CB 0.113 63.375 63.200 0.103 0.000 0.864 1046 S HN 1.812 nan 8.310 nan 0.000 0.494 1047 G N 3.026 111.853 108.800 0.044 0.000 2.217 1047 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.246 1047 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.246 1047 G C 0.189 175.104 174.900 0.026 0.000 0.990 1047 G CA -0.003 45.118 45.100 0.036 0.000 0.627 1047 G HN 1.001 nan 8.290 nan 0.000 0.522 1048 V N 1.543 121.471 119.914 0.023 0.000 2.673 1048 V HA 0.377 4.497 4.120 -0.000 0.000 0.303 1048 V C 0.593 176.695 176.094 0.014 0.000 1.046 1048 V CA 0.700 63.009 62.300 0.015 0.000 1.126 1048 V CB 1.315 33.144 31.823 0.010 0.000 0.934 1048 V HN 0.516 nan 8.190 nan 0.000 0.487 1049 Q N 3.280 123.088 119.800 0.013 0.000 2.340 1049 Q HA 0.591 4.931 4.340 -0.000 0.000 0.268 1049 Q C -1.341 174.666 176.000 0.013 0.000 1.031 1049 Q CA -0.681 55.130 55.803 0.013 0.000 0.804 1049 Q CB 2.583 31.330 28.738 0.015 0.000 1.286 1049 Q HN 0.522 nan 8.270 nan 0.000 0.448 1050 V N 2.111 122.031 119.914 0.011 0.000 2.275 1050 V HA 0.499 4.619 4.120 -0.000 0.000 0.272 1050 V C 0.061 176.163 176.094 0.013 0.000 1.028 1050 V CA -0.530 61.777 62.300 0.011 0.000 0.810 1050 V CB 0.682 32.506 31.823 0.002 0.000 1.043 1050 V HN 0.892 nan 8.190 nan 0.000 0.453 1051 A N 3.818 126.650 122.820 0.018 0.000 2.280 1051 A HA 0.740 5.059 4.320 -0.000 0.000 0.268 1051 A C 1.659 179.254 177.584 0.017 0.000 1.111 1051 A CA 0.435 52.483 52.037 0.017 0.000 0.814 1051 A CB 0.465 19.477 19.000 0.019 0.000 1.093 1051 A HN 1.070 nan 8.150 nan 0.000 0.498 1052 A N 0.292 123.121 122.820 0.015 0.000 1.877 1052 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 1052 A C 1.557 179.151 177.584 0.017 0.000 1.186 1052 A CA 1.963 54.008 52.037 0.014 0.000 0.620 1052 A CB -0.746 18.260 19.000 0.011 0.000 0.822 1052 A HN 0.915 nan 8.150 nan 0.000 0.443 1053 D N -1.404 119.007 120.400 0.018 0.000 2.403 1053 D HA 0.112 4.752 4.640 -0.000 0.000 0.227 1053 D C 1.243 177.561 176.300 0.029 0.000 0.995 1053 D CA 1.303 55.315 54.000 0.020 0.000 0.928 1053 D CB -0.691 40.119 40.800 0.017 0.000 0.887 1053 D HN 0.913 nan 8.370 nan 0.000 0.529 1054 G N 0.355 109.176 108.800 0.034 0.000 2.217 1054 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.246 1054 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.246 1054 G C 0.419 175.362 174.900 0.072 0.000 0.990 1054 G CA 0.485 45.616 45.100 0.052 0.000 0.627 1054 G HN 0.833 nan 8.290 nan 0.000 0.522 1055 S N -0.526 115.209 115.700 0.058 0.000 2.572 1055 S HA 0.603 5.073 4.470 -0.000 0.000 0.279 1055 S C 0.046 174.683 174.600 0.062 0.000 1.341 1055 S CA 0.036 58.275 58.200 0.066 0.000 1.043 1055 S CB 2.378 65.603 63.200 0.042 0.000 0.887 1055 S HN 1.120 nan 8.310 nan 0.000 0.516 1056 V N 2.685 122.646 119.914 0.078 0.000 2.444 1056 V HA 0.459 4.579 4.120 -0.000 0.000 0.294 1056 V C -0.023 176.097 176.094 0.043 0.000 1.022 1056 V CA -0.598 61.734 62.300 0.054 0.000 0.850 1056 V CB 1.748 33.603 31.823 0.054 0.000 0.992 1056 V HN 1.071 nan 8.190 nan 0.000 0.426 1057 T N 6.694 121.263 114.554 0.026 0.000 2.794 1057 T HA 0.706 5.055 4.350 -0.000 0.000 0.280 1057 T C -0.431 174.275 174.700 0.010 0.000 0.987 1057 T CA -0.304 61.807 62.100 0.017 0.000 0.993 1057 T CB 0.928 69.804 68.868 0.013 0.000 0.939 1057 T HN 0.374 nan 8.240 nan 0.000 0.449 1058 L N 5.022 126.245 121.223 0.001 0.000 2.322 1058 L HA 0.505 4.845 4.340 -0.000 0.000 0.281 1058 L C -2.451 174.406 176.870 -0.021 0.000 1.014 1058 L CA -2.481 52.353 54.840 -0.009 0.000 0.815 1058 L CB 1.575 43.624 42.059 -0.017 0.000 1.247 1058 L HN 0.331 nan 8.230 nan 0.000 0.421 1059 P HA 0.139 nan 4.420 nan 0.000 0.275 1059 P C -0.544 176.732 177.300 -0.039 0.000 1.266 1059 P CA -0.430 62.667 63.100 -0.005 0.000 0.793 1059 P CB 0.557 32.273 31.700 0.026 0.000 1.074 1060 A N 0.375 123.173 122.820 -0.037 0.000 2.483 1060 A HA 0.128 4.448 4.320 -0.000 0.000 0.238 1060 A C -0.482 177.075 177.584 -0.045 0.000 1.070 1060 A CA -0.165 51.787 52.037 -0.142 0.000 0.770 1060 A CB -1.227 17.753 19.000 -0.033 0.000 1.008 1060 A HN 0.671 nan 8.150 nan 0.000 0.497 1061 W N 0.698 121.994 121.300 -0.007 0.000 6.905 1061 W HA -0.175 4.485 4.660 -0.000 0.000 0.419 1061 W C 0.766 177.248 176.519 -0.061 0.000 1.653 1061 W CA 0.830 58.159 57.345 -0.027 0.000 1.131 1061 W CB -1.947 27.503 29.460 -0.016 0.000 2.876 1061 W HN 1.010 nan 8.180 nan 0.000 1.563 1062 S N -1.642 114.073 115.700 0.026 0.000 2.638 1062 S HA 0.918 5.388 4.470 -0.000 0.000 0.302 1062 S C -0.700 173.881 174.600 -0.030 0.000 1.096 1062 S CA -1.146 57.048 58.200 -0.010 0.000 0.953 1062 S CB 2.968 66.163 63.200 -0.008 0.000 1.107 1062 S HN 0.158 nan 8.310 nan 0.000 0.503 1063 V N 0.791 120.676 119.914 -0.048 0.000 2.569 1063 V HA 0.825 4.945 4.120 -0.000 0.000 0.301 1063 V C -0.288 175.791 176.094 -0.025 0.000 1.044 1063 V CA -0.432 61.845 62.300 -0.038 0.000 0.874 1063 V CB 1.188 32.975 31.823 -0.061 0.000 1.002 1063 V HN 1.303 nan 8.190 nan 0.000 0.424 1064 A N 4.297 127.110 122.820 -0.011 0.000 2.356 1064 A HA 0.887 5.207 4.320 -0.000 0.000 0.310 1064 A C -1.097 176.486 177.584 -0.000 0.000 1.075 1064 A CA -0.592 51.441 52.037 -0.007 0.000 0.746 1064 A CB 1.945 20.938 19.000 -0.012 0.000 1.221 1064 A HN 0.666 nan 8.150 nan 0.000 0.443 1065 V N 4.495 124.415 119.914 0.011 0.000 2.334 1065 V HA 0.390 4.510 4.120 -0.000 0.000 0.281 1065 V C -0.637 175.457 176.094 -0.000 0.000 1.016 1065 V CA -0.464 61.861 62.300 0.041 0.000 0.832 1065 V CB 1.001 32.893 31.823 0.115 0.000 0.999 1065 V HN 0.731 nan 8.190 nan 0.000 0.439 1066 L N 5.015 126.203 121.223 -0.058 0.000 2.330 1066 L HA 0.753 5.093 4.340 -0.000 0.000 0.271 1066 L C 0.087 176.886 176.870 -0.118 0.000 1.013 1066 L CA -0.455 54.325 54.840 -0.101 0.000 0.816 1066 L CB 1.919 43.873 42.059 -0.175 0.000 1.287 1066 L HN 0.839 nan 8.230 nan 0.000 0.435 1067 E N 1.216 121.355 120.200 -0.102 0.000 2.393 1067 E HA 0.583 4.933 4.350 -0.000 0.000 0.273 1067 E C -1.463 175.083 176.600 -0.090 0.000 0.918 1067 E CA -0.894 55.447 56.400 -0.099 0.000 0.773 1067 E CB 2.295 31.958 29.700 -0.062 0.000 1.275 1067 E HN 0.380 nan 8.360 nan 0.000 0.451 1068 L N 2.506 123.679 121.223 -0.085 0.000 2.272 1068 L HA 0.377 4.717 4.340 -0.000 0.000 0.284 1068 L C -2.102 174.742 176.870 -0.044 0.000 1.045 1068 L CA -2.196 52.609 54.840 -0.059 0.000 0.842 1068 L CB 0.930 42.958 42.059 -0.052 0.000 1.224 1068 L HN 0.339 nan 8.230 nan 0.000 0.430 1069 P HA -0.073 nan 4.420 nan 0.000 0.265 1069 P C -0.897 176.390 177.300 -0.021 0.000 1.193 1069 P CA -0.076 63.009 63.100 -0.025 0.000 0.765 1069 P CB 0.875 32.564 31.700 -0.018 0.000 0.823 1070 Q N 2.094 121.881 119.800 -0.021 0.000 2.267 1070 Q HA 0.437 4.777 4.340 -0.000 0.000 0.255 1070 Q C 0.702 176.694 176.000 -0.013 0.000 0.923 1070 Q CA -0.413 55.379 55.803 -0.018 0.000 0.925 1070 Q CB 0.711 29.437 28.738 -0.020 0.000 1.195 1070 Q HN 0.610 nan 8.270 nan 0.000 0.417 1071 G N 1.795 110.588 108.800 -0.011 0.000 2.666 1071 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.207 1071 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.207 1071 G C 0.447 175.342 174.900 -0.008 0.000 1.481 1071 G CA 0.088 45.183 45.100 -0.009 0.000 1.071 1071 G HN 0.886 nan 8.290 nan 0.000 0.572 1072 E N -0.854 119.342 120.200 -0.007 0.000 2.097 1072 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 1072 E C 0.524 177.120 176.600 -0.007 0.000 1.000 1072 E CA 1.257 57.653 56.400 -0.006 0.000 0.804 1072 E CB -0.019 29.678 29.700 -0.005 0.000 0.740 1072 E HN 0.267 nan 8.360 nan 0.000 0.454 1073 S N -0.766 114.929 115.700 -0.007 0.000 2.667 1073 S HA 0.179 4.649 4.470 -0.000 0.000 0.292 1073 S C -1.087 173.507 174.600 -0.010 0.000 1.126 1073 S CA -0.822 57.373 58.200 -0.008 0.000 0.881 1073 S CB 1.744 64.939 63.200 -0.007 0.000 1.132 1073 S HN 0.268 nan 8.310 nan 0.000 0.492 1074 Q N 0.470 120.263 119.800 -0.011 0.000 2.315 1074 Q HA 0.327 4.667 4.340 -0.000 0.000 0.289 1074 Q C 0.401 176.394 176.000 -0.012 0.000 1.044 1074 Q CA 0.014 55.809 55.803 -0.013 0.000 0.920 1074 Q CB 0.170 28.900 28.738 -0.013 0.000 1.214 1074 Q HN 0.814 nan 8.270 nan 0.000 0.392 1075 G N 1.490 110.282 108.800 -0.013 0.000 2.583 1075 G HA2 0.437 4.397 3.960 -0.000 0.000 0.280 1075 G HA3 0.437 4.397 3.960 -0.000 0.000 0.280 1075 G C 0.349 175.243 174.900 -0.009 0.000 1.376 1075 G CA 0.020 45.114 45.100 -0.010 0.000 1.043 1075 G HN 0.800 nan 8.290 nan 0.000 0.538 1076 A N -1.639 121.178 122.820 -0.005 0.000 1.969 1076 A HA 0.418 4.738 4.320 -0.000 0.000 0.218 1076 A C 1.982 179.564 177.584 -0.003 0.000 1.169 1076 A CA 2.020 54.056 52.037 -0.003 0.000 0.635 1076 A CB -1.194 17.808 19.000 0.003 0.000 0.810 1076 A HN 2.513 nan 8.150 nan 0.000 0.445 1077 G N -1.223 107.575 108.800 -0.004 0.000 2.552 1077 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.265 1077 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.265 1077 G C -0.116 174.791 174.900 0.012 0.000 1.234 1077 G CA 0.137 45.233 45.100 -0.007 0.000 0.944 1077 G HN 0.914 nan 8.290 nan 0.000 0.568 1078 L N 2.136 123.363 121.223 0.007 0.000 2.529 1078 L HA 0.347 4.687 4.340 -0.000 0.000 0.246 1078 L C -2.009 174.867 176.870 0.011 0.000 1.394 1078 L CA -1.594 53.266 54.840 0.034 0.000 0.906 1078 L CB 1.744 43.835 42.059 0.052 0.000 1.170 1078 L HN 0.419 nan 8.230 nan 0.000 0.501 1079 P HA -0.012 nan 4.420 nan 0.000 0.266 1079 P C 0.063 177.359 177.300 -0.007 0.000 1.195 1079 P CA 0.042 63.139 63.100 -0.006 0.000 0.768 1079 P CB 1.362 33.058 31.700 -0.007 0.000 0.838 1080 V N 3.550 123.456 119.914 -0.014 0.000 2.529 1080 V HA 0.005 4.125 4.120 -0.000 0.000 0.292 1080 V C 1.371 177.450 176.094 -0.024 0.000 1.028 1080 V CA 0.200 62.489 62.300 -0.018 0.000 1.074 1080 V CB 0.102 31.907 31.823 -0.031 0.000 0.958 1080 V HN 0.742 nan 8.190 nan 0.000 0.481 1081 S N 4.144 119.832 115.700 -0.020 0.000 2.576 1081 S HA 0.267 4.737 4.470 -0.000 0.000 0.276 1081 S C 0.201 174.781 174.600 -0.034 0.000 1.339 1081 S CA -0.703 57.483 58.200 -0.023 0.000 1.039 1081 S CB 0.779 63.968 63.200 -0.018 0.000 0.902 1081 S HN 0.667 nan 8.310 nan 0.000 0.516 1082 S N 2.867 118.549 115.700 -0.031 0.000 2.510 1082 S HA 0.280 4.750 4.470 -0.000 0.000 0.279 1082 S C 0.207 174.787 174.600 -0.034 0.000 1.284 1082 S CA -0.552 57.628 58.200 -0.034 0.000 1.059 1082 S CB 0.155 63.339 63.200 -0.027 0.000 0.901 1082 S HN 0.685 nan 8.310 nan 0.000 0.491 1083 K N 0.000 120.375 120.400 -0.042 0.000 2.780 1083 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1083 K CA 0.000 56.264 56.287 -0.038 0.000 0.838 1083 K CB 0.000 32.470 32.500 -0.050 0.000 1.064 1083 K HN 0.000 nan 8.250 nan 0.000 0.543