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 8cgt_1_A DATA FIRST_RESID 1 DATA SEQUENCE DPDTAVTNKQ SFSTDVIYQV FTDRFLDGNP SNNPTGAAYD ATcSNLKLYc DATA SEQUENCE GGDWQGLINK INDNYFSDLG VTALWISQPV ENIFATINYS GVTNTAYHGY DATA SEQUENCE WARDFKKTNP YFGTMADFQN LITTAHAKGI KIVIDFAPNH TSPAMETDTS DATA SEQUENCE FAENGRLYDN GTLVGGYTND TNGYFHHNGG SDFSSLENGI YKNLYDLADF DATA SEQUENCE NHNNATIDKY FKDAIKLWLD MGVDGIRVDA VKHMPLGWQK SWMSSIYAHK DATA SEQUENCE PVFTFGAWFL GSAASDADNT DFANKSGMSL LDFRFNSAVR NVFRDNTSNM DATA SEQUENCE YALDSMINST ATDYNQVNDQ VTFIDNHDMD RFKTSAVNNR RLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYLTGNG DPDNRAKMPS FSKSTTAFNV ISKLAPLRKS DATA SEQUENCE NPAIAYGSTQ QRWINNDVYV YERKFGKSVA VVAVNRNLST SASITGLSTS DATA SEQUENCE LPTGSYTDVL GGVLNGNNIT STNGSINNFT LAAGATAVWQ YTTAETTPTI DATA SEQUENCE GHVGPVMGKP GNVVTIDGRG FGSTKGTVYF GTTAVTGAAI TSWEDTQIKV DATA SEQUENCE TIPSVAAGNY AVKVAASGVN SNAYNNFTIL TGDQVTVRFV VNNASTTLGQ DATA SEQUENCE NLYLTGNVAE LGNWSTGSTA IGPAFNQVIH QYPTWYYDVS VPAGKQLEFK DATA SEQUENCE FFKKNGSTIT WESGSNHTFT TPASGTATVT VNWQ 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.280 176.300 -0.033 0.000 2.045 1 D CA 0.000 53.982 54.000 -0.030 0.000 0.868 1 D CB 0.000 40.772 40.800 -0.046 0.000 0.688 2 P HA 0.060 nan 4.420 nan 0.000 0.271 2 P C 0.697 177.965 177.300 -0.053 0.000 1.218 2 P CA -0.035 63.041 63.100 -0.041 0.000 0.780 2 P CB 0.906 32.580 31.700 -0.043 0.000 0.901 3 D N 1.218 121.591 120.400 -0.046 0.000 2.280 3 D HA -0.196 4.443 4.640 -0.003 0.000 0.206 3 D C 1.127 177.382 176.300 -0.075 0.000 0.988 3 D CA 2.084 56.059 54.000 -0.042 0.000 0.886 3 D CB -1.192 39.610 40.800 0.003 0.000 0.914 3 D HN 0.484 nan 8.370 nan 0.000 0.473 4 T N -2.880 111.623 114.554 -0.086 0.000 3.081 4 T HA 0.411 4.759 4.350 -0.003 0.000 0.255 4 T C 1.133 175.751 174.700 -0.137 0.000 1.113 4 T CA 0.109 62.135 62.100 -0.124 0.000 1.082 4 T CB -0.134 68.668 68.868 -0.110 0.000 0.939 4 T HN 0.357 nan 8.240 nan 0.000 0.506 5 A N 1.119 123.869 122.820 -0.116 0.000 2.448 5 A HA 0.475 4.793 4.320 -0.003 0.000 0.239 5 A C 1.688 179.177 177.584 -0.158 0.000 1.080 5 A CA -0.076 51.891 52.037 -0.118 0.000 0.779 5 A CB 0.147 19.090 19.000 -0.095 0.000 1.026 5 A HN 0.297 nan 8.150 nan 0.000 0.499 6 V N 1.524 121.345 119.914 -0.155 0.000 2.867 6 V HA -0.148 3.971 4.120 -0.003 0.000 0.260 6 V C 2.269 178.223 176.094 -0.234 0.000 1.099 6 V CA 2.776 64.961 62.300 -0.191 0.000 1.122 6 V CB -1.030 30.705 31.823 -0.147 0.000 0.708 6 V HN 1.137 nan 8.190 nan 0.000 0.490 7 T N -1.805 112.633 114.554 -0.193 0.000 3.160 7 T HA -0.026 4.322 4.350 -0.003 0.000 0.257 7 T C 1.026 175.644 174.700 -0.136 0.000 1.147 7 T CA 0.478 62.471 62.100 -0.179 0.000 1.064 7 T CB -0.645 68.145 68.868 -0.130 0.000 0.949 7 T HN 0.424 nan 8.240 nan 0.000 0.526 8 N N 1.873 120.484 118.700 -0.150 0.000 2.663 8 N HA 0.185 4.923 4.740 -0.003 0.000 0.250 8 N C 0.622 176.070 175.510 -0.103 0.000 1.129 8 N CA -0.190 52.790 53.050 -0.118 0.000 0.995 8 N CB 0.530 38.935 38.487 -0.137 0.000 1.324 8 N HN 0.411 nan 8.380 nan 0.000 0.512 9 K N 1.429 121.827 120.400 -0.003 0.000 2.432 9 K HA -0.023 4.295 4.320 -0.003 0.000 0.196 9 K C 0.740 177.502 176.600 0.270 0.000 1.038 9 K CA 0.743 57.115 56.287 0.142 0.000 0.986 9 K CB 0.444 33.023 32.500 0.131 0.000 0.782 9 K HN 0.399 nan 8.250 nan 0.000 0.485 10 Q N -0.155 119.750 119.800 0.174 0.000 2.408 10 Q HA 0.113 4.451 4.340 -0.003 0.000 0.205 10 Q C 0.061 176.227 176.000 0.277 0.000 0.919 10 Q CA 0.164 56.104 55.803 0.229 0.000 0.932 10 Q CB 1.150 29.967 28.738 0.131 0.000 1.058 10 Q HN -0.026 nan 8.270 nan 0.000 0.517 11 S N -0.988 114.780 115.700 0.115 0.000 2.575 11 S HA 0.496 4.964 4.470 -0.003 0.000 0.278 11 S C -1.097 173.339 174.600 -0.273 0.000 1.139 11 S CA -0.624 57.484 58.200 -0.153 0.000 0.954 11 S CB 0.316 63.346 63.200 -0.284 0.000 1.054 11 S HN 0.135 nan 8.310 nan 0.000 0.483 12 F N 2.455 121.926 119.950 -0.798 0.000 2.688 12 F HA 0.332 4.857 4.527 -0.003 0.000 0.310 12 F C 2.095 177.550 175.800 -0.576 0.000 1.098 12 F CA -0.171 57.424 58.000 -0.675 0.000 1.228 12 F CB 0.333 38.813 39.000 -0.867 0.000 1.042 12 F HN 0.543 nan 8.300 nan 0.000 0.557 13 S N -0.356 115.067 115.700 -0.461 0.000 2.400 13 S HA -0.195 4.274 4.470 -0.003 0.000 0.232 13 S C 2.196 176.538 174.600 -0.430 0.000 1.025 13 S CA 2.075 60.017 58.200 -0.429 0.000 0.993 13 S CB -0.484 62.446 63.200 -0.450 0.000 0.808 13 S HN 0.546 nan 8.310 nan 0.000 0.478 14 T N -0.639 113.660 114.554 -0.425 0.000 3.129 14 T HA 0.144 4.492 4.350 -0.003 0.000 0.251 14 T C 0.132 174.660 174.700 -0.287 0.000 1.117 14 T CA -0.171 61.703 62.100 -0.377 0.000 1.034 14 T CB -0.021 68.642 68.868 -0.341 0.000 0.968 14 T HN 0.093 nan 8.240 nan 0.000 0.526 15 D N 0.702 120.938 120.400 -0.274 0.000 2.440 15 D HA 0.545 5.183 4.640 -0.003 0.000 0.258 15 D C -0.864 175.367 176.300 -0.114 0.000 1.092 15 D CA -0.518 53.361 54.000 -0.201 0.000 1.016 15 D CB 2.435 43.090 40.800 -0.243 0.000 1.141 15 D HN 0.017 nan 8.370 nan 0.000 0.552 16 V N 1.746 121.629 119.914 -0.051 0.000 2.488 16 V HA 0.284 4.403 4.120 -0.003 0.000 0.293 16 V C 0.127 176.273 176.094 0.087 0.000 1.027 16 V CA -0.637 61.664 62.300 0.001 0.000 0.862 16 V CB 1.373 33.185 31.823 -0.018 0.000 1.008 16 V HN 0.358 nan 8.190 nan 0.000 0.428 17 I N 4.191 124.852 120.570 0.152 0.000 2.581 17 I HA 0.305 4.474 4.170 -0.003 0.000 0.288 17 I C -0.706 175.592 176.117 0.303 0.000 1.047 17 I CA -0.415 61.041 61.300 0.259 0.000 1.374 17 I CB 0.799 38.990 38.000 0.319 0.000 1.423 17 I HN 0.605 nan 8.210 nan 0.000 0.549 18 Y N 5.765 126.161 120.300 0.160 0.000 2.464 18 Y HA 0.229 4.778 4.550 -0.003 0.000 0.326 18 Y C -0.030 175.960 175.900 0.149 0.000 0.969 18 Y CA -0.569 57.610 58.100 0.131 0.000 1.270 18 Y CB 0.846 39.319 38.460 0.021 0.000 1.103 18 Y HN 0.502 nan 8.280 nan 0.000 0.491 19 Q N 5.608 125.375 119.800 -0.055 0.000 2.295 19 Q HA 0.503 4.842 4.340 -0.003 0.000 0.259 19 Q C -1.736 174.168 176.000 -0.161 0.000 0.976 19 Q CA -0.288 55.392 55.803 -0.206 0.000 0.923 19 Q CB 1.128 29.595 28.738 -0.451 0.000 1.185 19 Q HN 0.615 nan 8.270 nan 0.000 0.410 20 V N 5.785 125.594 119.914 -0.175 0.000 2.760 20 V HA 0.412 4.530 4.120 -0.003 0.000 0.309 20 V C -1.499 174.479 176.094 -0.194 0.000 1.077 20 V CA -0.738 61.462 62.300 -0.168 0.000 0.910 20 V CB 1.610 33.307 31.823 -0.209 0.000 1.008 20 V HN 0.760 nan 8.190 nan 0.000 0.424 21 F N 5.178 124.827 119.950 -0.503 0.000 2.434 21 F HA 0.319 4.845 4.527 -0.003 0.000 0.358 21 F C 1.881 177.503 175.800 -0.295 0.000 1.136 21 F CA 0.403 58.220 58.000 -0.305 0.000 1.157 21 F CB 1.180 40.100 39.000 -0.134 0.000 1.167 21 F HN 0.710 nan 8.300 nan 0.000 0.539 22 T N 1.318 115.713 114.554 -0.265 0.000 2.680 22 T HA -0.328 4.020 4.350 -0.003 0.000 0.268 22 T C 1.696 176.364 174.700 -0.053 0.000 1.033 22 T CA 2.118 64.049 62.100 -0.281 0.000 1.152 22 T CB -0.240 68.122 68.868 -0.844 0.000 0.859 22 T HN 0.598 nan 8.240 nan 0.000 0.452 23 D N 0.299 120.752 120.400 0.089 0.000 2.219 23 D HA -0.072 4.566 4.640 -0.003 0.000 0.205 23 D C 2.007 178.443 176.300 0.227 0.000 0.970 23 D CA 0.654 54.835 54.000 0.301 0.000 0.851 23 D CB 0.149 41.214 40.800 0.441 0.000 0.943 23 D HN 0.080 nan 8.370 nan 0.000 0.488 24 R N -0.703 119.902 120.500 0.175 0.000 2.334 24 R HA 0.113 4.451 4.340 -0.003 0.000 0.216 24 R C 0.900 177.274 176.300 0.122 0.000 0.905 24 R CA -0.117 56.054 56.100 0.119 0.000 1.064 24 R CB -0.411 29.956 30.300 0.113 0.000 1.046 24 R HN 0.293 nan 8.270 nan 0.000 0.508 25 F N 0.055 119.998 119.950 -0.012 0.000 2.204 25 F HA 0.323 4.848 4.527 -0.003 0.000 0.276 25 F C 0.458 176.385 175.800 0.212 0.000 1.085 25 F CA 0.571 58.625 58.000 0.091 0.000 1.160 25 F CB 0.520 39.589 39.000 0.116 0.000 1.091 25 F HN -0.190 nan 8.300 nan 0.000 0.522 26 L N 0.987 122.400 121.223 0.317 0.000 2.505 26 L HA 0.236 4.574 4.340 -0.003 0.000 0.266 26 L C -1.770 175.217 176.870 0.195 0.000 0.954 26 L CA -0.736 54.217 54.840 0.189 0.000 0.852 26 L CB 1.590 43.733 42.059 0.139 0.000 1.282 26 L HN 0.041 nan 8.230 nan 0.000 0.403 27 D N 2.660 123.149 120.400 0.148 0.000 2.483 27 D HA 0.243 4.881 4.640 -0.003 0.000 0.220 27 D C 1.071 177.437 176.300 0.109 0.000 1.173 27 D CA 0.131 54.216 54.000 0.142 0.000 0.964 27 D CB 1.395 42.280 40.800 0.142 0.000 1.046 27 D HN 0.680 nan 8.370 nan 0.000 0.517 28 G N 3.100 111.972 108.800 0.119 0.000 2.511 28 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.217 28 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.217 28 G C 0.726 175.673 174.900 0.079 0.000 1.133 28 G CA -0.128 45.028 45.100 0.093 0.000 0.792 28 G HN 0.474 nan 8.290 nan 0.000 0.539 29 N N -0.470 118.280 118.700 0.082 0.000 2.577 29 N HA 0.356 5.094 4.740 -0.003 0.000 0.275 29 N C -2.433 173.100 175.510 0.039 0.000 1.091 29 N CA -2.016 51.069 53.050 0.059 0.000 0.843 29 N CB 2.208 40.736 38.487 0.068 0.000 1.295 29 N HN -0.240 nan 8.380 nan 0.000 0.530 30 P HA 0.061 nan 4.420 nan 0.000 0.233 30 P C 0.630 177.897 177.300 -0.055 0.000 1.167 30 P CA 0.657 63.750 63.100 -0.010 0.000 0.770 30 P CB 0.436 32.140 31.700 0.006 0.000 0.837 31 S N 0.346 116.028 115.700 -0.030 0.000 2.453 31 S HA -0.095 4.373 4.470 -0.003 0.000 0.231 31 S C 1.419 175.986 174.600 -0.055 0.000 1.005 31 S CA 1.241 59.416 58.200 -0.042 0.000 0.949 31 S CB -0.853 62.336 63.200 -0.019 0.000 0.774 31 S HN 0.399 nan 8.310 nan 0.000 0.510 32 N N 0.928 119.604 118.700 -0.040 0.000 2.280 32 N HA 0.079 4.817 4.740 -0.003 0.000 0.192 32 N C -0.577 174.923 175.510 -0.018 0.000 1.109 32 N CA -0.204 52.829 53.050 -0.028 0.000 0.855 32 N CB -0.436 38.047 38.487 -0.008 0.000 0.974 32 N HN 0.017 nan 8.380 nan 0.000 0.482 33 N N 2.001 120.615 118.700 -0.143 0.000 2.492 33 N HA 0.209 4.948 4.740 -0.003 0.000 0.260 33 N C -2.285 172.971 175.510 -0.423 0.000 1.215 33 N CA -1.061 51.781 53.050 -0.347 0.000 0.923 33 N CB 0.143 38.247 38.487 -0.638 0.000 1.092 33 N HN 0.190 nan 8.380 nan 0.000 0.448 34 P HA 0.104 nan 4.420 nan 0.000 0.271 34 P C -0.299 176.773 177.300 -0.379 0.000 1.244 34 P CA -0.157 62.579 63.100 -0.607 0.000 0.793 34 P CB 0.427 31.579 31.700 -0.914 0.000 0.984 35 T N -2.417 112.008 114.554 -0.214 0.000 2.885 35 T HA 0.668 5.017 4.350 -0.003 0.000 0.285 35 T C 0.460 175.140 174.700 -0.034 0.000 1.019 35 T CA 0.012 62.043 62.100 -0.116 0.000 1.010 35 T CB 1.352 70.161 68.868 -0.099 0.000 1.022 35 T HN 0.784 nan 8.240 nan 0.000 0.466 36 G N 1.568 110.380 108.800 0.019 0.000 2.512 36 G HA2 0.009 3.968 3.960 -0.003 0.000 0.254 36 G HA3 0.009 3.968 3.960 -0.003 0.000 0.254 36 G C 1.126 176.062 174.900 0.059 0.000 1.199 36 G CA 0.424 45.544 45.100 0.034 0.000 0.941 36 G HN 1.762 nan 8.290 nan 0.000 0.569 37 A N -0.432 122.412 122.820 0.040 0.000 2.070 37 A HA 0.340 4.658 4.320 -0.003 0.000 0.220 37 A C 2.809 180.431 177.584 0.064 0.000 1.159 37 A CA 3.128 55.191 52.037 0.043 0.000 0.656 37 A CB -0.785 18.235 19.000 0.033 0.000 0.800 37 A HN 2.314 nan 8.150 nan 0.000 0.453 38 A N -2.438 120.429 122.820 0.077 0.000 2.206 38 A HA 0.298 4.617 4.320 -0.003 0.000 0.211 38 A C 0.651 178.348 177.584 0.188 0.000 1.158 38 A CA 0.471 52.581 52.037 0.123 0.000 0.761 38 A CB -0.281 18.766 19.000 0.078 0.000 0.801 38 A HN 0.563 nan 8.150 nan 0.000 0.473 39 Y N -0.422 119.870 120.300 -0.014 0.000 2.468 39 Y HA 0.567 5.116 4.550 -0.003 0.000 0.342 39 Y C -1.485 174.412 175.900 -0.006 0.000 1.021 39 Y CA -2.041 56.050 58.100 -0.014 0.000 1.079 39 Y CB 1.627 40.046 38.460 -0.069 0.000 1.226 39 Y HN 0.090 nan 8.280 nan 0.000 0.460 40 D N 3.606 123.568 120.400 -0.730 0.000 2.336 40 D HA 0.374 5.012 4.640 -0.003 0.000 0.248 40 D C 0.175 175.984 176.300 -0.817 0.000 1.326 40 D CA 0.155 53.797 54.000 -0.596 0.000 0.973 40 D CB 1.344 41.977 40.800 -0.278 0.000 1.255 40 D HN 0.750 nan 8.370 nan 0.000 0.558 41 A N 2.306 124.616 122.820 -0.850 0.000 1.978 41 A HA -0.155 4.163 4.320 -0.003 0.000 0.220 41 A C 1.862 179.318 177.584 -0.213 0.000 1.170 41 A CA 2.293 54.051 52.037 -0.465 0.000 0.636 41 A CB -0.601 18.315 19.000 -0.141 0.000 0.810 41 A HN 0.601 nan 8.150 nan 0.000 0.448 42 T N -5.742 108.700 114.554 -0.186 0.000 3.088 42 T HA 0.061 4.409 4.350 -0.003 0.000 0.259 42 T C 0.865 175.500 174.700 -0.108 0.000 1.122 42 T CA 0.525 62.558 62.100 -0.111 0.000 1.095 42 T CB -1.089 67.726 68.868 -0.087 0.000 0.930 42 T HN 1.063 nan 8.240 nan 0.000 0.508 43 c N 2.546 121.057 118.600 -0.149 0.000 4.167 43 c HA -0.210 4.358 4.570 -0.003 0.000 0.302 43 c C 1.844 175.874 174.090 -0.100 0.000 1.384 43 c CA 0.687 56.941 56.329 -0.125 0.000 2.041 43 c CB -2.701 39.758 42.510 -0.084 0.000 1.303 43 c HN 0.881 nan 8.230 nan 0.000 0.718 44 S N -1.029 114.611 115.700 -0.100 0.000 2.499 44 S HA 0.084 4.552 4.470 -0.003 0.000 0.225 44 S C 0.510 175.064 174.600 -0.076 0.000 1.050 44 S CA 0.728 58.883 58.200 -0.076 0.000 0.928 44 S CB -0.164 62.998 63.200 -0.063 0.000 0.803 44 S HN 0.797 nan 8.310 nan 0.000 0.506 45 N N 2.019 120.665 118.700 -0.090 0.000 2.645 45 N HA 0.225 4.963 4.740 -0.003 0.000 0.233 45 N C 0.193 175.627 175.510 -0.127 0.000 1.058 45 N CA -0.519 52.482 53.050 -0.082 0.000 0.942 45 N CB 0.323 38.771 38.487 -0.065 0.000 1.210 45 N HN 0.081 nan 8.380 nan 0.000 0.512 46 L N 2.232 123.374 121.223 -0.135 0.000 2.642 46 L HA -0.016 4.322 4.340 -0.003 0.000 0.236 46 L C 1.772 178.419 176.870 -0.371 0.000 1.169 46 L CA 0.992 55.696 54.840 -0.227 0.000 0.851 46 L CB -0.537 41.433 42.059 -0.148 0.000 0.968 46 L HN 0.452 nan 8.230 nan 0.000 0.453 47 K N -0.874 119.400 120.400 -0.211 0.000 2.379 47 K HA 0.252 4.571 4.320 -0.003 0.000 0.194 47 K C 0.684 177.203 176.600 -0.135 0.000 1.031 47 K CA 0.119 56.343 56.287 -0.104 0.000 1.037 47 K CB 0.564 33.111 32.500 0.078 0.000 0.824 47 K HN 0.262 nan 8.250 nan 0.000 0.516 48 L N -0.179 120.925 121.223 -0.199 0.000 2.376 48 L HA 0.329 4.668 4.340 -0.003 0.000 0.267 48 L C 0.124 176.893 176.870 -0.168 0.000 1.035 48 L CA -1.267 53.514 54.840 -0.099 0.000 0.800 48 L CB 0.184 42.220 42.059 -0.038 0.000 1.290 48 L HN -0.116 nan 8.230 nan 0.000 0.462 49 Y N -0.918 119.362 120.300 -0.034 0.000 2.425 49 Y HA 0.001 4.549 4.550 -0.003 0.000 0.331 49 Y C 0.858 176.770 175.900 0.021 0.000 1.157 49 Y CA 0.009 58.124 58.100 0.026 0.000 1.372 49 Y CB 0.882 39.347 38.460 0.008 0.000 1.253 49 Y HN 0.526 nan 8.280 nan 0.000 0.536 50 c N 1.074 119.796 118.600 0.205 0.000 2.912 50 c HA 0.312 4.881 4.570 -0.003 0.000 0.274 50 c C 1.716 175.979 174.090 0.289 0.000 1.248 50 c CA 0.488 56.883 56.329 0.111 0.000 1.694 50 c CB -0.530 42.001 42.510 0.035 0.000 2.024 50 c HN 1.225 nan 8.230 nan 0.000 0.605 51 G N 0.404 109.441 108.800 0.395 0.000 2.213 51 G HA2 -0.082 3.876 3.960 -0.003 0.000 0.226 51 G HA3 -0.082 3.876 3.960 -0.003 0.000 0.226 51 G C 0.428 175.487 174.900 0.264 0.000 0.992 51 G CA -0.042 45.260 45.100 0.337 0.000 0.632 51 G HN 0.802 nan 8.290 nan 0.000 0.511 52 G N 0.772 109.735 108.800 0.272 0.000 2.321 52 G HA2 0.506 4.465 3.960 -0.003 0.000 0.237 52 G HA3 0.506 4.465 3.960 -0.003 0.000 0.237 52 G C 0.063 175.108 174.900 0.243 0.000 1.282 52 G CA 1.191 46.437 45.100 0.243 0.000 0.886 52 G HN 1.117 nan 8.290 nan 0.000 0.528 53 D N -0.436 120.076 120.400 0.187 0.000 2.752 53 D HA 0.255 4.894 4.640 -0.003 0.000 0.313 53 D C 0.472 176.870 176.300 0.164 0.000 1.225 53 D CA -0.914 53.153 54.000 0.110 0.000 0.976 53 D CB 0.246 41.120 40.800 0.123 0.000 1.443 53 D HN 0.303 nan 8.370 nan 0.000 0.515 54 W N -0.541 120.864 121.300 0.176 0.000 2.425 54 W HA 0.000 4.659 4.660 -0.003 0.000 0.277 54 W C 2.015 178.609 176.519 0.125 0.000 1.231 54 W CA 0.784 58.210 57.345 0.135 0.000 1.248 54 W CB -0.825 28.741 29.460 0.177 0.000 1.117 54 W HN 0.540 nan 8.180 nan 0.000 0.568 55 Q N 0.392 120.387 119.800 0.324 0.000 2.119 55 Q HA -0.056 4.282 4.340 -0.003 0.000 0.201 55 Q C 2.394 178.511 176.000 0.194 0.000 0.972 55 Q CA 2.319 58.254 55.803 0.220 0.000 0.847 55 Q CB -0.986 27.851 28.738 0.165 0.000 0.903 55 Q HN 0.153 nan 8.270 nan 0.000 0.433 56 G N 0.236 109.166 108.800 0.216 0.000 2.422 56 G HA2 -0.191 3.767 3.960 -0.003 0.000 0.218 56 G HA3 -0.191 3.767 3.960 -0.003 0.000 0.218 56 G C 1.317 176.398 174.900 0.301 0.000 1.146 56 G CA 0.850 46.083 45.100 0.220 0.000 0.769 56 G HN 0.385 nan 8.290 nan 0.000 0.547 57 L N 0.007 121.436 121.223 0.343 0.000 2.056 57 L HA 0.051 4.390 4.340 -0.003 0.000 0.207 57 L C 2.826 179.870 176.870 0.289 0.000 1.078 57 L CA 0.506 55.560 54.840 0.357 0.000 0.749 57 L CB -0.328 41.876 42.059 0.242 0.000 0.901 57 L HN 0.185 nan 8.230 nan 0.000 0.433 58 I N 0.108 120.801 120.570 0.206 0.000 2.208 58 I HA -0.307 3.861 4.170 -0.003 0.000 0.245 58 I C 2.224 178.414 176.117 0.121 0.000 1.097 58 I CA 1.136 62.520 61.300 0.140 0.000 1.363 58 I CB -0.441 37.627 38.000 0.114 0.000 1.051 58 I HN 0.361 nan 8.210 nan 0.000 0.413 59 N N 1.104 119.867 118.700 0.104 0.000 2.069 59 N HA -0.165 4.573 4.740 -0.003 0.000 0.191 59 N C 1.703 177.213 175.510 0.001 0.000 1.031 59 N CA 1.225 54.297 53.050 0.036 0.000 0.852 59 N CB -0.312 38.174 38.487 -0.003 0.000 1.018 59 N HN 0.222 nan 8.380 nan 0.000 0.423 60 K N 0.785 121.192 120.400 0.012 0.000 2.362 60 K HA 0.094 4.412 4.320 -0.003 0.000 0.200 60 K C 2.006 178.617 176.600 0.019 0.000 1.046 60 K CA 0.260 56.485 56.287 -0.103 0.000 0.952 60 K CB -0.199 32.176 32.500 -0.208 0.000 0.753 60 K HN 0.347 nan 8.250 nan 0.000 0.466 61 I N 1.088 121.785 120.570 0.211 0.000 2.333 61 I HA -0.197 3.971 4.170 -0.003 0.000 0.246 61 I C 1.620 177.813 176.117 0.126 0.000 1.106 61 I CA 0.688 62.151 61.300 0.271 0.000 1.411 61 I CB -0.194 37.946 38.000 0.232 0.000 1.082 61 I HN 0.101 nan 8.210 nan 0.000 0.420 62 N N 1.310 120.058 118.700 0.080 0.000 2.188 62 N HA -0.166 4.573 4.740 -0.003 0.000 0.184 62 N C 0.985 176.510 175.510 0.026 0.000 1.018 62 N CA 1.504 54.581 53.050 0.045 0.000 0.858 62 N CB -0.427 38.079 38.487 0.033 0.000 0.989 62 N HN 0.501 nan 8.380 nan 0.000 0.426 63 D N -0.255 120.149 120.400 0.007 0.000 2.336 63 D HA 0.033 4.671 4.640 -0.003 0.000 0.228 63 D C -0.265 176.045 176.300 0.017 0.000 1.120 63 D CA -0.235 53.761 54.000 -0.006 0.000 0.839 63 D CB -0.602 40.170 40.800 -0.046 0.000 0.932 63 D HN -0.086 nan 8.370 nan 0.000 0.509 64 N N -0.465 118.258 118.700 0.039 0.000 2.714 64 N HA -0.298 4.440 4.740 -0.003 0.000 0.250 64 N C 0.062 175.607 175.510 0.059 0.000 1.117 64 N CA 0.696 53.778 53.050 0.054 0.000 0.719 64 N CB -1.717 36.795 38.487 0.043 0.000 1.081 64 N HN 0.456 nan 8.380 nan 0.000 0.557 65 Y N 0.296 120.522 120.300 -0.123 0.000 2.163 65 Y HA -0.099 4.450 4.550 -0.003 0.000 0.288 65 Y C 1.887 177.722 175.900 -0.108 0.000 1.136 65 Y CA 1.822 59.829 58.100 -0.156 0.000 1.147 65 Y CB -0.404 37.820 38.460 -0.393 0.000 0.987 65 Y HN 0.105 nan 8.280 nan 0.000 0.509 66 F N -0.556 119.398 119.950 0.006 0.000 2.259 66 F HA -0.112 4.413 4.527 -0.003 0.000 0.298 66 F C 2.601 178.312 175.800 -0.148 0.000 1.088 66 F CA 1.374 59.277 58.000 -0.162 0.000 1.358 66 F CB -1.083 37.862 39.000 -0.091 0.000 1.040 66 F HN -0.064 nan 8.300 nan 0.000 0.505 67 S N -0.270 115.489 115.700 0.098 0.000 2.383 67 S HA -0.155 4.313 4.470 -0.003 0.000 0.227 67 S C 1.580 176.182 174.600 0.004 0.000 1.026 67 S CA 1.387 59.613 58.200 0.043 0.000 0.981 67 S CB -0.278 62.952 63.200 0.049 0.000 0.818 67 S HN 0.323 nan 8.310 nan 0.000 0.472 68 D N 1.092 121.500 120.400 0.015 0.000 2.183 68 D HA 0.015 4.653 4.640 -0.003 0.000 0.203 68 D C 1.806 178.105 176.300 -0.002 0.000 0.969 68 D CA 0.381 54.421 54.000 0.067 0.000 0.842 68 D CB -0.300 40.595 40.800 0.158 0.000 0.957 68 D HN 0.208 nan 8.370 nan 0.000 0.484 69 L N -0.004 121.073 121.223 -0.243 0.000 2.141 69 L HA 0.078 4.417 4.340 -0.003 0.000 0.209 69 L C 1.580 178.220 176.870 -0.383 0.000 1.094 69 L CA 1.990 56.392 54.840 -0.730 0.000 0.763 69 L CB -0.305 41.248 42.059 -0.845 0.000 0.908 69 L HN 0.249 nan 8.230 nan 0.000 0.437 70 G N -1.420 107.266 108.800 -0.190 0.000 2.179 70 G HA2 -0.212 3.747 3.960 -0.003 0.000 0.220 70 G HA3 -0.212 3.747 3.960 -0.003 0.000 0.220 70 G C 0.359 175.206 174.900 -0.089 0.000 0.990 70 G CA 0.220 45.248 45.100 -0.121 0.000 0.646 70 G HN 0.795 nan 8.290 nan 0.000 0.517 71 V N 0.145 120.014 119.914 -0.076 0.000 2.740 71 V HA 0.686 4.805 4.120 -0.003 0.000 0.303 71 V C 1.170 177.240 176.094 -0.041 0.000 1.054 71 V CA 1.155 63.436 62.300 -0.031 0.000 1.106 71 V CB 1.214 33.039 31.823 0.003 0.000 0.957 71 V HN 1.007 nan 8.190 nan 0.000 0.486 72 T N 0.010 114.538 114.554 -0.042 0.000 3.132 72 T HA 0.732 5.080 4.350 -0.003 0.000 0.274 72 T C 0.225 174.892 174.700 -0.055 0.000 1.011 72 T CA 0.337 62.397 62.100 -0.067 0.000 0.899 72 T CB 0.083 68.885 68.868 -0.109 0.000 1.089 72 T HN 1.785 nan 8.240 nan 0.000 0.543 73 A N 0.888 123.711 122.820 0.005 0.000 2.566 73 A HA 0.702 5.021 4.320 -0.003 0.000 0.297 73 A C -2.025 175.622 177.584 0.106 0.000 1.059 73 A CA -0.772 51.322 52.037 0.093 0.000 0.691 73 A CB 1.213 20.369 19.000 0.261 0.000 1.282 73 A HN 0.217 nan 8.150 nan 0.000 0.401 74 L N 1.915 123.193 121.223 0.091 0.000 2.333 74 L HA 0.643 4.981 4.340 -0.003 0.000 0.280 74 L C -0.994 176.024 176.870 0.247 0.000 1.004 74 L CA -0.170 54.711 54.840 0.068 0.000 0.820 74 L CB 1.514 43.486 42.059 -0.147 0.000 1.247 74 L HN 0.772 nan 8.230 nan 0.000 0.416 75 W N 7.362 128.712 121.300 0.084 0.000 2.294 75 W HA 0.626 5.284 4.660 -0.003 0.000 0.314 75 W C -0.706 175.836 176.519 0.038 0.000 1.044 75 W CA -1.707 55.699 57.345 0.101 0.000 1.284 75 W CB 0.674 30.236 29.460 0.170 0.000 1.231 75 W HN 0.463 nan 8.180 nan 0.000 0.419 76 I N 2.423 123.181 120.570 0.314 0.000 2.863 76 I HA 0.640 4.809 4.170 -0.003 0.000 0.311 76 I C 0.444 176.563 176.117 0.005 0.000 1.026 76 I CA -0.933 60.401 61.300 0.058 0.000 1.077 76 I CB 1.550 39.596 38.000 0.076 0.000 1.262 76 I HN 0.155 nan 8.210 nan 0.000 0.461 77 S N 1.474 117.038 115.700 -0.227 0.000 2.580 77 S HA -0.020 4.449 4.470 -0.003 0.000 0.266 77 S C -0.001 174.530 174.600 -0.115 0.000 1.354 77 S CA -0.370 57.621 58.200 -0.349 0.000 1.008 77 S CB 0.283 63.166 63.200 -0.529 0.000 0.898 77 S HN 0.706 nan 8.310 nan 0.000 0.555 78 Q N 2.603 122.303 119.800 -0.166 0.000 2.247 78 Q HA 0.006 4.344 4.340 -0.003 0.000 0.288 78 Q C -1.424 174.605 176.000 0.048 0.000 1.079 78 Q CA -1.183 54.576 55.803 -0.075 0.000 0.932 78 Q CB 0.585 29.236 28.738 -0.146 0.000 1.133 78 Q HN 0.346 nan 8.270 nan 0.000 0.377 79 P HA -0.068 nan 4.420 nan 0.000 0.236 79 P C 0.452 177.807 177.300 0.090 0.000 1.177 79 P CA 0.395 63.610 63.100 0.192 0.000 0.773 79 P CB -0.101 31.415 31.700 -0.307 0.000 0.878 80 V N -1.365 118.477 119.914 -0.120 0.000 3.185 80 V HA 0.188 4.307 4.120 -0.003 0.000 0.305 80 V C 0.472 176.527 176.094 -0.066 0.000 1.090 80 V CA -0.903 61.389 62.300 -0.015 0.000 1.107 80 V CB -0.011 31.729 31.823 -0.138 0.000 1.061 80 V HN -0.019 nan 8.190 nan 0.000 0.480 81 E N 2.816 122.983 120.200 -0.055 0.000 2.351 81 E HA 0.114 4.463 4.350 -0.003 0.000 0.266 81 E C -0.087 176.367 176.600 -0.243 0.000 1.031 81 E CA 0.019 56.320 56.400 -0.165 0.000 0.911 81 E CB 0.199 29.805 29.700 -0.156 0.000 0.986 81 E HN 0.873 nan 8.360 nan 0.000 0.446 82 N N 3.319 121.864 118.700 -0.258 0.000 2.485 82 N HA 0.286 5.024 4.740 -0.003 0.000 0.280 82 N C 0.162 175.505 175.510 -0.278 0.000 1.205 82 N CA -0.734 52.212 53.050 -0.173 0.000 0.959 82 N CB 0.957 39.405 38.487 -0.066 0.000 1.206 82 N HN 0.482 nan 8.380 nan 0.000 0.545 83 I N -1.257 119.252 120.570 -0.102 0.000 2.813 83 I HA -0.008 4.161 4.170 -0.003 0.000 0.287 83 I C 0.174 176.259 176.117 -0.053 0.000 1.196 83 I CA 0.029 61.247 61.300 -0.137 0.000 1.421 83 I CB 0.215 38.214 38.000 -0.002 0.000 1.365 83 I HN 0.443 nan 8.210 nan 0.000 0.591 84 F N 3.534 123.530 119.950 0.077 0.000 2.530 84 F HA 0.356 4.882 4.527 -0.003 0.000 0.292 84 F C 1.857 177.708 175.800 0.084 0.000 1.109 84 F CA 0.121 58.181 58.000 0.099 0.000 1.450 84 F CB -0.753 38.273 39.000 0.044 0.000 1.114 84 F HN 0.638 nan 8.300 nan 0.000 0.560 85 A N 0.200 123.141 122.820 0.201 0.000 2.507 85 A HA 0.306 4.625 4.320 -0.003 0.000 0.235 85 A C 0.562 178.198 177.584 0.086 0.000 1.070 85 A CA 0.341 52.432 52.037 0.090 0.000 0.768 85 A CB -0.208 18.780 19.000 -0.020 0.000 1.011 85 A HN 0.136 nan 8.150 nan 0.000 0.502 86 T N 1.216 115.794 114.554 0.039 0.000 2.867 86 T HA 0.589 4.937 4.350 -0.003 0.000 0.282 86 T C -0.298 174.363 174.700 -0.066 0.000 1.000 86 T CA -0.068 62.061 62.100 0.047 0.000 1.042 86 T CB 0.079 68.980 68.868 0.055 0.000 0.973 86 T HN 0.396 nan 8.240 nan 0.000 0.465 87 I N 3.939 124.464 120.570 -0.074 0.000 2.465 87 I HA 0.394 4.562 4.170 -0.003 0.000 0.291 87 I C 0.008 176.004 176.117 -0.201 0.000 1.014 87 I CA -0.963 60.168 61.300 -0.281 0.000 1.093 87 I CB 1.806 39.485 38.000 -0.535 0.000 1.267 87 I HN 0.423 nan 8.210 nan 0.000 0.431 88 N N 5.815 124.390 118.700 -0.210 0.000 2.457 88 N HA 0.223 4.961 4.740 -0.003 0.000 0.250 88 N C -1.696 173.743 175.510 -0.120 0.000 0.982 88 N CA -0.314 52.683 53.050 -0.087 0.000 0.941 88 N CB 0.718 39.192 38.487 -0.020 0.000 1.120 88 N HN 0.358 nan 8.380 nan 0.000 0.505 89 Y N 2.137 122.503 120.300 0.111 0.000 2.504 89 Y HA 0.075 4.624 4.550 -0.003 0.000 0.339 89 Y C 0.754 176.690 175.900 0.060 0.000 0.974 89 Y CA -0.684 57.474 58.100 0.097 0.000 1.232 89 Y CB 0.505 39.026 38.460 0.102 0.000 1.108 89 Y HN 0.587 nan 8.280 nan 0.000 0.509 90 S N 1.331 117.141 115.700 0.183 0.000 3.447 90 S HA -0.193 4.275 4.470 -0.003 0.000 0.371 90 S C 1.139 175.790 174.600 0.085 0.000 0.951 90 S CA 0.879 59.142 58.200 0.107 0.000 1.269 90 S CB -1.837 61.416 63.200 0.089 0.000 0.919 90 S HN 1.913 nan 8.310 nan 0.000 0.516 91 G N -0.952 107.892 108.800 0.073 0.000 2.527 91 G HA2 -0.230 3.729 3.960 -0.003 0.000 0.218 91 G HA3 -0.230 3.729 3.960 -0.003 0.000 0.218 91 G C 0.429 175.368 174.900 0.065 0.000 1.177 91 G CA 0.044 45.178 45.100 0.057 0.000 0.695 91 G HN 2.002 nan 8.290 nan 0.000 0.517 92 V N 3.035 123.005 119.914 0.093 0.000 2.583 92 V HA 0.616 4.734 4.120 -0.003 0.000 0.287 92 V C 0.538 176.705 176.094 0.122 0.000 1.051 92 V CA 0.726 63.087 62.300 0.101 0.000 1.010 92 V CB 1.353 33.241 31.823 0.109 0.000 0.988 92 V HN 0.487 nan 8.190 nan 0.000 0.478 93 T N 7.624 122.236 114.554 0.096 0.000 2.749 93 T HA 0.332 4.681 4.350 -0.003 0.000 0.295 93 T C -0.108 174.683 174.700 0.153 0.000 0.936 93 T CA -0.142 62.017 62.100 0.099 0.000 1.060 93 T CB -0.165 68.743 68.868 0.067 0.000 0.904 93 T HN 0.787 nan 8.240 nan 0.000 0.500 94 N N 2.084 120.913 118.700 0.215 0.000 2.370 94 N HA 0.557 5.295 4.740 -0.003 0.000 0.303 94 N C -0.127 175.588 175.510 0.341 0.000 1.103 94 N CA -0.546 52.708 53.050 0.341 0.000 0.848 94 N CB 2.231 41.079 38.487 0.601 0.000 1.235 94 N HN 0.663 nan 8.380 nan 0.000 0.496 95 T N -2.865 111.867 114.554 0.297 0.000 2.907 95 T HA 0.574 4.922 4.350 -0.003 0.000 0.290 95 T C 0.201 174.845 174.700 -0.094 0.000 1.066 95 T CA -0.831 61.401 62.100 0.221 0.000 1.012 95 T CB 1.616 70.570 68.868 0.143 0.000 1.184 95 T HN 0.362 nan 8.240 nan 0.000 0.522 96 A N 0.580 123.308 122.820 -0.152 0.000 2.734 96 A HA 0.318 4.637 4.320 -0.003 0.000 0.279 96 A C 1.200 178.200 177.584 -0.974 0.000 1.386 96 A CA -0.404 51.218 52.037 -0.691 0.000 0.987 96 A CB -1.600 17.384 19.000 -0.027 0.000 1.041 96 A HN 0.950 nan 8.150 nan 0.000 0.569 97 Y N -0.084 119.519 120.300 -1.162 0.000 2.315 97 Y HA -0.329 4.219 4.550 -0.003 0.000 0.288 97 Y C 1.992 177.626 175.900 -0.443 0.000 1.154 97 Y CA 1.711 59.175 58.100 -1.060 0.000 1.229 97 Y CB -1.060 36.897 38.460 -0.838 0.000 0.980 97 Y HN 0.724 nan 8.280 nan 0.000 0.540 98 H N -1.225 117.134 119.070 -1.186 0.000 2.524 98 H HA 0.244 4.798 4.556 -0.003 0.000 0.282 98 H C 1.954 176.761 175.328 -0.868 0.000 1.016 98 H CA 0.561 56.047 56.048 -0.936 0.000 1.270 98 H CB -0.359 28.938 29.762 -0.775 0.000 1.394 98 H HN 0.529 nan 8.280 nan 0.000 0.568 99 G N 0.884 109.374 108.800 -0.516 0.000 2.179 99 G HA2 -0.345 3.614 3.960 -0.003 0.000 0.260 99 G HA3 -0.345 3.614 3.960 -0.003 0.000 0.260 99 G C 0.297 175.023 174.900 -0.289 0.000 0.977 99 G CA 0.467 45.370 45.100 -0.327 0.000 0.641 99 G HN 0.511 nan 8.290 nan 0.000 0.533 100 Y N -1.137 119.225 120.300 0.104 0.000 2.546 100 Y HA 0.317 4.866 4.550 -0.003 0.000 0.287 100 Y C 1.116 177.215 175.900 0.331 0.000 1.158 100 Y CA -0.254 57.917 58.100 0.118 0.000 1.307 100 Y CB 0.219 38.663 38.460 -0.026 0.000 1.036 100 Y HN 0.406 nan 8.280 nan 0.000 0.532 101 W N 1.391 122.852 121.300 0.268 0.000 1.906 101 W HA 0.671 5.330 4.660 -0.002 0.000 0.311 101 W C 0.235 176.758 176.519 0.006 0.000 0.785 101 W CA -2.024 55.422 57.345 0.168 0.000 1.899 101 W CB -0.803 28.745 29.460 0.148 0.000 2.111 101 W HN -0.170 nan 8.180 nan 0.000 0.352 102 A N 1.871 124.767 122.820 0.128 0.000 2.425 102 A HA 0.432 4.750 4.320 -0.003 0.000 0.242 102 A C 1.408 178.948 177.584 -0.074 0.000 1.077 102 A CA 0.257 52.178 52.037 -0.194 0.000 0.781 102 A CB 0.561 19.081 19.000 -0.800 0.000 1.020 102 A HN 0.646 nan 8.150 nan 0.000 0.494 103 R N -0.496 119.934 120.500 -0.117 0.000 2.635 103 R HA 0.227 4.566 4.340 -0.003 0.000 0.241 103 R C -0.984 175.433 176.300 0.196 0.000 0.941 103 R CA 0.286 56.437 56.100 0.083 0.000 1.014 103 R CB 0.733 31.070 30.300 0.063 0.000 1.517 103 R HN 0.521 nan 8.270 nan 0.000 0.594 104 D N 0.147 120.577 120.400 0.050 0.000 2.375 104 D HA 0.181 4.820 4.640 -0.003 0.000 0.241 104 D C -0.725 175.683 176.300 0.179 0.000 1.361 104 D CA -0.610 53.523 54.000 0.220 0.000 0.995 104 D CB 0.916 41.811 40.800 0.159 0.000 1.312 104 D HN 0.048 nan 8.370 nan 0.000 0.576 105 F N 1.751 121.905 119.950 0.339 0.000 2.802 105 F HA 0.161 4.686 4.527 -0.003 0.000 0.300 105 F C 1.979 178.052 175.800 0.455 0.000 1.168 105 F CA 0.510 58.731 58.000 0.368 0.000 1.433 105 F CB 0.293 39.512 39.000 0.365 0.000 1.115 105 F HN 0.112 nan 8.300 nan 0.000 0.582 106 K N -0.298 120.348 120.400 0.410 0.000 2.387 106 K HA 0.186 4.505 4.320 -0.003 0.000 0.203 106 K C 0.213 176.886 176.600 0.122 0.000 1.030 106 K CA 0.103 56.510 56.287 0.199 0.000 1.099 106 K CB 0.657 33.189 32.500 0.054 0.000 0.863 106 K HN 0.106 nan 8.250 nan 0.000 0.529 107 K N 0.910 121.446 120.400 0.226 0.000 2.443 107 K HA 0.223 4.542 4.320 -0.003 0.000 0.251 107 K C -0.236 176.543 176.600 0.297 0.000 0.972 107 K CA -0.628 55.757 56.287 0.163 0.000 0.833 107 K CB 2.092 34.643 32.500 0.085 0.000 1.317 107 K HN -0.026 nan 8.250 nan 0.000 0.441 108 T N -1.410 113.315 114.554 0.285 0.000 2.847 108 T HA 0.162 4.510 4.350 -0.003 0.000 0.279 108 T C 0.281 175.059 174.700 0.131 0.000 0.984 108 T CA -0.781 61.553 62.100 0.390 0.000 0.988 108 T CB 0.704 69.896 68.868 0.541 0.000 1.040 108 T HN 0.422 nan 8.240 nan 0.000 0.528 109 N N 2.488 121.210 118.700 0.037 0.000 2.401 109 N HA 0.176 4.914 4.740 -0.003 0.000 0.255 109 N C -1.248 174.058 175.510 -0.341 0.000 1.110 109 N CA -2.323 50.580 53.050 -0.245 0.000 0.949 109 N CB 1.131 39.322 38.487 -0.494 0.000 1.110 109 N HN 0.400 nan 8.380 nan 0.000 0.490 110 P HA -0.175 nan 4.420 nan 0.000 0.217 110 P C 0.618 177.649 177.300 -0.448 0.000 1.148 110 P CA 1.413 64.278 63.100 -0.392 0.000 0.828 110 P CB 0.028 31.445 31.700 -0.473 0.000 0.783 111 Y N -1.743 118.353 120.300 -0.339 0.000 2.439 111 Y HA -0.045 4.504 4.550 -0.003 0.000 0.292 111 Y C 2.278 178.032 175.900 -0.243 0.000 1.130 111 Y CA 0.593 58.470 58.100 -0.373 0.000 1.254 111 Y CB -1.228 36.886 38.460 -0.576 0.000 1.000 111 Y HN -0.113 nan 8.280 nan 0.000 0.554 112 F N -1.067 118.675 119.950 -0.347 0.000 2.446 112 F HA 0.464 4.990 4.527 -0.002 0.000 0.292 112 F C 1.437 176.710 175.800 -0.879 0.000 1.096 112 F CA 0.441 57.960 58.000 -0.802 0.000 1.438 112 F CB -0.404 37.740 39.000 -1.426 0.000 1.107 112 F HN -0.055 nan 8.300 nan 0.000 0.546 113 G N -0.791 107.742 108.800 -0.445 0.000 2.341 113 G HA2 0.339 4.298 3.960 -0.003 0.000 0.293 113 G HA3 0.339 4.298 3.960 -0.003 0.000 0.293 113 G C -0.749 174.265 174.900 0.190 0.000 1.298 113 G CA -0.437 44.660 45.100 -0.004 0.000 0.868 113 G HN 0.197 nan 8.290 nan 0.000 0.540 114 T N -2.262 112.486 114.554 0.323 0.000 2.862 114 T HA 0.486 4.834 4.350 -0.003 0.000 0.276 114 T C 1.617 176.573 174.700 0.426 0.000 0.974 114 T CA 0.425 62.696 62.100 0.284 0.000 0.966 114 T CB 1.323 70.297 68.868 0.177 0.000 1.072 114 T HN 0.672 nan 8.240 nan 0.000 0.538 115 M N 0.965 120.735 119.600 0.283 0.000 2.213 115 M HA 0.105 4.584 4.480 -0.003 0.000 0.263 115 M C 2.232 178.683 176.300 0.253 0.000 1.062 115 M CA 1.877 57.326 55.300 0.248 0.000 1.105 115 M CB -1.354 31.312 32.600 0.110 0.000 1.385 115 M HN 0.878 nan 8.290 nan 0.000 0.417 116 A N -0.581 122.361 122.820 0.204 0.000 1.929 116 A HA -0.131 4.188 4.320 -0.003 0.000 0.216 116 A C 1.899 179.597 177.584 0.189 0.000 1.176 116 A CA 1.819 53.952 52.037 0.159 0.000 0.628 116 A CB -0.848 18.223 19.000 0.117 0.000 0.816 116 A HN 0.502 nan 8.150 nan 0.000 0.444 117 D N -0.967 119.603 120.400 0.283 0.000 2.117 117 D HA -0.137 4.501 4.640 -0.003 0.000 0.197 117 D C 1.606 178.073 176.300 0.278 0.000 0.987 117 D CA 1.160 55.358 54.000 0.329 0.000 0.829 117 D CB -0.396 40.708 40.800 0.506 0.000 0.961 117 D HN 0.440 nan 8.370 nan 0.000 0.460 118 F N 1.976 122.003 119.950 0.128 0.000 2.102 118 F HA -0.178 4.347 4.527 -0.002 0.000 0.298 118 F C 2.416 178.128 175.800 -0.147 0.000 1.105 118 F CA 1.430 59.271 58.000 -0.265 0.000 1.239 118 F CB -0.150 38.673 39.000 -0.294 0.000 0.991 118 F HN -0.089 nan 8.300 nan 0.000 0.474 119 Q N -0.276 119.539 119.800 0.025 0.000 2.124 119 Q HA -0.262 4.076 4.340 -0.003 0.000 0.202 119 Q C 2.054 177.979 176.000 -0.125 0.000 0.977 119 Q CA 1.653 57.422 55.803 -0.057 0.000 0.850 119 Q CB -0.822 27.942 28.738 0.043 0.000 0.901 119 Q HN 0.634 nan 8.270 nan 0.000 0.429 120 N N 0.658 119.322 118.700 -0.061 0.000 2.244 120 N HA -0.111 4.627 4.740 -0.003 0.000 0.183 120 N C 1.946 177.386 175.510 -0.117 0.000 1.016 120 N CA 0.185 53.206 53.050 -0.048 0.000 0.866 120 N CB 0.124 38.627 38.487 0.027 0.000 0.980 120 N HN 0.200 nan 8.380 nan 0.000 0.430 121 L N 1.047 122.144 121.223 -0.210 0.000 2.027 121 L HA -0.147 4.192 4.340 -0.003 0.000 0.206 121 L C 2.110 178.747 176.870 -0.389 0.000 1.074 121 L CA 1.034 55.703 54.840 -0.285 0.000 0.745 121 L CB -0.388 41.395 42.059 -0.460 0.000 0.898 121 L HN 0.215 nan 8.230 nan 0.000 0.433 122 I N 0.091 120.329 120.570 -0.554 0.000 2.127 122 I HA -0.303 3.865 4.170 -0.003 0.000 0.241 122 I C 2.565 178.351 176.117 -0.552 0.000 1.075 122 I CA 1.814 62.732 61.300 -0.636 0.000 1.334 122 I CB -1.721 35.946 38.000 -0.554 0.000 1.040 122 I HN 0.298 nan 8.210 nan 0.000 0.405 123 T N 0.658 115.037 114.554 -0.292 0.000 2.652 123 T HA -0.172 4.176 4.350 -0.003 0.000 0.267 123 T C 1.897 176.538 174.700 -0.098 0.000 1.039 123 T CA 2.298 64.316 62.100 -0.136 0.000 1.153 123 T CB -0.522 68.305 68.868 -0.068 0.000 0.863 123 T HN 0.361 nan 8.240 nan 0.000 0.428 124 T N 1.964 116.459 114.554 -0.099 0.000 2.720 124 T HA -0.055 4.293 4.350 -0.003 0.000 0.268 124 T C 2.353 177.026 174.700 -0.044 0.000 1.037 124 T CA 1.204 63.276 62.100 -0.047 0.000 1.144 124 T CB -0.561 68.291 68.868 -0.026 0.000 0.864 124 T HN 0.445 nan 8.240 nan 0.000 0.444 125 A N 1.272 124.023 122.820 -0.115 0.000 1.855 125 A HA -0.143 4.176 4.320 -0.003 0.000 0.215 125 A C 1.943 179.534 177.584 0.012 0.000 1.191 125 A CA 1.655 53.640 52.037 -0.086 0.000 0.613 125 A CB -1.060 17.831 19.000 -0.181 0.000 0.829 125 A HN 0.695 nan 8.150 nan 0.000 0.442 126 H N -0.662 118.376 119.070 -0.054 0.000 2.387 126 H HA -0.051 4.504 4.556 -0.003 0.000 0.299 126 H C 2.436 177.743 175.328 -0.036 0.000 1.099 126 H CA 0.632 56.651 56.048 -0.047 0.000 1.315 126 H CB -0.002 29.733 29.762 -0.046 0.000 1.380 126 H HN 0.567 nan 8.280 nan 0.000 0.513 127 A N 1.225 124.100 122.820 0.092 0.000 1.978 127 A HA -0.157 4.161 4.320 -0.003 0.000 0.220 127 A C 1.901 179.504 177.584 0.033 0.000 1.170 127 A CA 1.388 53.453 52.037 0.047 0.000 0.636 127 A CB -0.095 18.922 19.000 0.028 0.000 0.810 127 A HN 0.293 nan 8.150 nan 0.000 0.448 128 K N -1.481 118.940 120.400 0.035 0.000 2.397 128 K HA 0.273 4.591 4.320 -0.003 0.000 0.202 128 K C 0.725 177.335 176.600 0.017 0.000 1.022 128 K CA 0.397 56.701 56.287 0.028 0.000 1.141 128 K CB 0.079 32.604 32.500 0.042 0.000 0.857 128 K HN 0.614 nan 8.250 nan 0.000 0.514 129 G N 2.016 110.825 108.800 0.016 0.000 2.176 129 G HA2 -0.255 3.704 3.960 -0.003 0.000 0.252 129 G HA3 -0.255 3.704 3.960 -0.003 0.000 0.252 129 G C -0.013 174.877 174.900 -0.018 0.000 1.024 129 G CA -0.071 45.022 45.100 -0.013 0.000 0.755 129 G HN 0.280 nan 8.290 nan 0.000 0.507 130 I N 0.353 120.934 120.570 0.019 0.000 2.354 130 I HA 0.353 4.521 4.170 -0.003 0.000 0.292 130 I C 0.611 176.768 176.117 0.067 0.000 0.989 130 I CA -0.821 60.480 61.300 0.001 0.000 1.188 130 I CB 1.448 39.430 38.000 -0.030 0.000 1.342 130 I HN -0.046 nan 8.210 nan 0.000 0.457 131 K N 5.862 126.286 120.400 0.039 0.000 2.118 131 K HA 0.546 4.864 4.320 -0.003 0.000 0.264 131 K C -0.760 175.940 176.600 0.166 0.000 1.000 131 K CA -0.660 55.703 56.287 0.127 0.000 0.929 131 K CB 1.466 33.968 32.500 0.003 0.000 1.021 131 K HN 0.364 nan 8.250 nan 0.000 0.463 132 I N 2.795 123.488 120.570 0.204 0.000 2.389 132 I HA 0.222 4.390 4.170 -0.003 0.000 0.288 132 I C -0.413 175.839 176.117 0.225 0.000 0.999 132 I CA -0.718 60.662 61.300 0.133 0.000 1.129 132 I CB 1.427 39.402 38.000 -0.041 0.000 1.288 132 I HN 0.264 nan 8.210 nan 0.000 0.444 133 V N 7.323 127.381 119.914 0.239 0.000 2.459 133 V HA 0.533 4.651 4.120 -0.003 0.000 0.295 133 V C 0.145 176.351 176.094 0.188 0.000 1.029 133 V CA -0.669 61.746 62.300 0.192 0.000 0.874 133 V CB 2.314 34.238 31.823 0.168 0.000 0.985 133 V HN 0.613 nan 8.190 nan 0.000 0.438 134 I N 0.007 120.646 120.570 0.114 0.000 2.693 134 I HA 0.716 4.885 4.170 -0.003 0.000 0.303 134 I C -0.597 175.584 176.117 0.106 0.000 1.025 134 I CA -0.720 60.665 61.300 0.143 0.000 1.086 134 I CB 1.868 39.928 38.000 0.099 0.000 1.268 134 I HN 0.316 nan 8.210 nan 0.000 0.440 135 D N 3.390 123.907 120.400 0.195 0.000 2.304 135 D HA 0.459 5.097 4.640 -0.003 0.000 0.250 135 D C -1.539 174.913 176.300 0.252 0.000 1.107 135 D CA 0.452 54.588 54.000 0.226 0.000 0.885 135 D CB 1.166 42.096 40.800 0.217 0.000 1.192 135 D HN 0.459 nan 8.370 nan 0.000 0.436 136 F N 1.396 121.401 119.950 0.092 0.000 2.585 136 F HA 0.519 5.045 4.527 -0.002 0.000 0.319 136 F C -0.932 174.975 175.800 0.178 0.000 1.165 136 F CA -0.873 57.217 58.000 0.150 0.000 0.949 136 F CB 1.617 40.721 39.000 0.174 0.000 1.218 136 F HN 0.305 nan 8.300 nan 0.000 0.453 137 A N 7.487 130.288 122.820 -0.031 0.000 2.644 137 A HA 0.512 4.830 4.320 -0.003 0.000 0.343 137 A C -2.381 175.114 177.584 -0.148 0.000 1.324 137 A CA -1.192 50.839 52.037 -0.009 0.000 0.846 137 A CB -0.057 18.998 19.000 0.092 0.000 1.128 137 A HN 0.458 nan 8.150 nan 0.000 0.484 138 P HA 0.007 nan 4.420 nan 0.000 0.257 138 P C 0.541 177.575 177.300 -0.443 0.000 1.281 138 P CA 0.390 62.964 63.100 -0.876 0.000 0.826 138 P CB 0.224 31.148 31.700 -1.293 0.000 1.237 139 N N 0.787 119.383 118.700 -0.173 0.000 2.333 139 N HA -0.083 4.656 4.740 -0.003 0.000 0.178 139 N C 0.788 176.442 175.510 0.240 0.000 1.018 139 N CA 0.591 53.685 53.050 0.073 0.000 0.882 139 N CB 0.037 38.597 38.487 0.122 0.000 0.984 139 N HN 0.267 nan 8.380 nan 0.000 0.434 140 H N -4.542 114.716 119.070 0.313 0.000 2.933 140 H HA 0.299 4.854 4.556 -0.003 0.000 0.310 140 H C -0.141 175.331 175.328 0.241 0.000 1.351 140 H CA -0.115 55.994 56.048 0.101 0.000 1.137 140 H CB 0.751 30.521 29.762 0.012 0.000 1.853 140 H HN 0.040 nan 8.280 nan 0.000 0.539 141 T N -0.770 113.883 114.554 0.165 0.000 3.610 141 T HA 0.339 4.687 4.350 -0.003 0.000 0.209 141 T C 0.623 175.477 174.700 0.256 0.000 0.889 141 T CA 0.752 62.997 62.100 0.242 0.000 1.469 141 T CB -0.516 68.402 68.868 0.083 0.000 1.557 141 T HN 0.810 nan 8.240 nan 0.000 0.431 142 S N 0.769 116.467 115.700 -0.003 0.000 2.671 142 S HA 0.683 5.151 4.470 -0.003 0.000 0.277 142 S C -3.333 171.039 174.600 -0.379 0.000 1.165 142 S CA -1.640 56.454 58.200 -0.176 0.000 0.822 142 S CB 1.107 64.209 63.200 -0.163 0.000 1.150 142 S HN 0.233 nan 8.310 nan 0.000 0.479 143 P HA 0.458 nan 4.420 nan 0.000 0.265 143 P C -1.033 176.132 177.300 -0.225 0.000 1.193 143 P CA 0.332 63.213 63.100 -0.365 0.000 0.765 143 P CB 0.395 31.837 31.700 -0.430 0.000 0.823 144 A N 3.494 126.253 122.820 -0.102 0.000 2.594 144 A HA 0.771 5.090 4.320 -0.003 0.000 0.295 144 A C -1.292 176.284 177.584 -0.013 0.000 1.071 144 A CA -0.565 51.444 52.037 -0.046 0.000 0.685 144 A CB 1.277 20.065 19.000 -0.353 0.000 1.285 144 A HN 0.428 nan 8.150 nan 0.000 0.405 145 M N 1.245 120.910 119.600 0.109 0.000 2.259 145 M HA 0.299 4.778 4.480 -0.003 0.000 0.304 145 M C 0.779 177.168 176.300 0.149 0.000 1.019 145 M CA -0.318 55.000 55.300 0.029 0.000 0.922 145 M CB 2.152 34.673 32.600 -0.132 0.000 1.600 145 M HN 1.051 nan 8.290 nan 0.000 0.433 146 E N 0.756 121.076 120.200 0.201 0.000 2.107 146 E HA -0.152 4.196 4.350 -0.003 0.000 0.191 146 E C 1.470 178.092 176.600 0.037 0.000 0.982 146 E CA 1.997 58.482 56.400 0.142 0.000 0.809 146 E CB 0.414 30.162 29.700 0.079 0.000 0.756 146 E HN 0.880 nan 8.360 nan 0.000 0.459 147 T N -1.869 112.694 114.554 0.015 0.000 2.985 147 T HA -0.104 4.245 4.350 -0.003 0.000 0.266 147 T C 0.596 175.293 174.700 -0.004 0.000 1.076 147 T CA 0.825 62.919 62.100 -0.010 0.000 1.135 147 T CB 0.091 68.943 68.868 -0.026 0.000 0.890 147 T HN -0.059 nan 8.240 nan 0.000 0.480 148 D N 1.678 122.083 120.400 0.007 0.000 2.454 148 D HA 0.306 4.944 4.640 -0.003 0.000 0.247 148 D C 1.208 177.550 176.300 0.068 0.000 1.129 148 D CA -0.244 53.770 54.000 0.024 0.000 0.877 148 D CB 1.610 42.413 40.800 0.005 0.000 1.082 148 D HN 0.184 nan 8.370 nan 0.000 0.537 149 T N -0.398 114.187 114.554 0.053 0.000 3.072 149 T HA -0.122 4.227 4.350 -0.003 0.000 0.266 149 T C 1.647 176.382 174.700 0.059 0.000 1.127 149 T CA 0.996 63.130 62.100 0.056 0.000 1.107 149 T CB -0.185 68.703 68.868 0.034 0.000 0.910 149 T HN 0.240 nan 8.240 nan 0.000 0.513 150 S N 0.096 115.835 115.700 0.066 0.000 2.562 150 S HA 0.187 4.655 4.470 -0.003 0.000 0.221 150 S C 0.276 174.923 174.600 0.078 0.000 0.975 150 S CA -0.793 57.440 58.200 0.056 0.000 0.918 150 S CB -0.860 62.367 63.200 0.045 0.000 0.772 150 S HN 0.484 nan 8.310 nan 0.000 0.531 151 F N 3.530 123.445 119.950 -0.058 0.000 2.467 151 F HA 0.560 5.086 4.527 -0.002 0.000 0.362 151 F C 1.005 176.738 175.800 -0.111 0.000 1.090 151 F CA -0.317 57.627 58.000 -0.094 0.000 1.202 151 F CB 0.160 39.099 39.000 -0.102 0.000 1.113 151 F HN 0.470 nan 8.300 nan 0.000 0.541 152 A N 4.883 127.271 122.820 -0.721 0.000 5.395 152 A HA -0.349 3.970 4.320 -0.003 0.000 0.324 152 A C 0.911 178.336 177.584 -0.265 0.000 1.813 152 A CA 1.642 53.318 52.037 -0.602 0.000 0.714 152 A CB -1.450 17.032 19.000 -0.862 0.000 1.374 152 A HN 0.810 nan 8.150 nan 0.000 0.390 153 E N 0.866 120.938 120.200 -0.214 0.000 2.869 153 E HA 0.265 4.613 4.350 -0.003 0.000 0.207 153 E C 0.302 176.861 176.600 -0.068 0.000 0.986 153 E CA 0.338 56.688 56.400 -0.083 0.000 1.131 153 E CB -0.026 29.657 29.700 -0.029 0.000 1.098 153 E HN 0.650 nan 8.360 nan 0.000 0.459 154 N N 0.889 119.538 118.700 -0.085 0.000 2.696 154 N HA -0.248 4.490 4.740 -0.003 0.000 0.249 154 N C 0.695 176.128 175.510 -0.128 0.000 1.090 154 N CA 0.490 53.511 53.050 -0.048 0.000 0.716 154 N CB -0.726 37.766 38.487 0.008 0.000 1.020 154 N HN 0.600 nan 8.380 nan 0.000 0.548 155 G N 0.131 108.810 108.800 -0.201 0.000 2.258 155 G HA2 -0.360 3.598 3.960 -0.003 0.000 0.274 155 G HA3 -0.360 3.598 3.960 -0.003 0.000 0.274 155 G C 0.211 174.999 174.900 -0.187 0.000 1.021 155 G CA 0.800 45.729 45.100 -0.286 0.000 0.798 155 G HN 0.637 nan 8.290 nan 0.000 0.507 156 R N -1.056 119.400 120.500 -0.072 0.000 2.623 156 R HA 0.395 4.733 4.340 -0.003 0.000 0.271 156 R C 0.232 176.518 176.300 -0.024 0.000 1.043 156 R CA -0.263 55.806 56.100 -0.052 0.000 1.083 156 R CB 0.592 30.830 30.300 -0.103 0.000 0.974 156 R HN 0.291 nan 8.270 nan 0.000 0.436 157 L N 3.491 124.667 121.223 -0.079 0.000 2.329 157 L HA 0.415 4.753 4.340 -0.003 0.000 0.279 157 L C -1.531 175.139 176.870 -0.332 0.000 1.014 157 L CA -0.459 54.356 54.840 -0.041 0.000 0.814 157 L CB 1.172 43.251 42.059 0.034 0.000 1.257 157 L HN 0.411 nan 8.230 nan 0.000 0.424 158 Y N 2.010 122.344 120.300 0.057 0.000 2.485 158 Y HA 0.447 4.995 4.550 -0.003 0.000 0.345 158 Y C -0.524 175.471 175.900 0.159 0.000 0.998 158 Y CA -0.687 57.454 58.100 0.068 0.000 1.059 158 Y CB 1.779 40.277 38.460 0.063 0.000 1.234 158 Y HN 0.520 nan 8.280 nan 0.000 0.461 159 D N 2.805 123.387 120.400 0.302 0.000 2.477 159 D HA 0.115 4.753 4.640 -0.003 0.000 0.239 159 D C -0.352 176.079 176.300 0.218 0.000 1.102 159 D CA -0.251 53.953 54.000 0.339 0.000 0.901 159 D CB -0.169 40.787 40.800 0.259 0.000 1.026 159 D HN 0.628 nan 8.370 nan 0.000 0.515 160 N N 3.180 121.999 118.700 0.199 0.000 2.705 160 N HA -0.251 4.487 4.740 -0.003 0.000 0.255 160 N C 0.976 176.548 175.510 0.104 0.000 1.008 160 N CA 1.886 55.005 53.050 0.115 0.000 0.742 160 N CB -1.039 37.484 38.487 0.059 0.000 0.906 160 N HN 0.763 nan 8.380 nan 0.000 0.541 161 G N -2.231 106.647 108.800 0.129 0.000 2.345 161 G HA2 -0.273 3.686 3.960 -0.003 0.000 0.218 161 G HA3 -0.273 3.686 3.960 -0.003 0.000 0.218 161 G C 0.281 175.312 174.900 0.219 0.000 1.058 161 G CA 0.292 45.446 45.100 0.089 0.000 0.632 161 G HN 0.733 nan 8.290 nan 0.000 0.508 162 T N 2.719 117.403 114.554 0.218 0.000 2.814 162 T HA 0.495 4.844 4.350 -0.003 0.000 0.297 162 T C 0.251 175.087 174.700 0.227 0.000 0.956 162 T CA -0.064 62.157 62.100 0.202 0.000 1.123 162 T CB 1.836 70.775 68.868 0.117 0.000 0.902 162 T HN 0.688 nan 8.240 nan 0.000 0.528 163 L N 5.593 126.917 121.223 0.169 0.000 2.462 163 L HA 0.160 4.499 4.340 -0.003 0.000 0.272 163 L C 0.910 177.710 176.870 -0.117 0.000 1.166 163 L CA 0.532 55.300 54.840 -0.121 0.000 0.880 163 L CB 0.426 42.432 42.059 -0.088 0.000 1.142 163 L HN 0.544 nan 8.230 nan 0.000 0.473 164 V N 4.154 123.933 119.914 -0.224 0.000 2.581 164 V HA 0.543 4.662 4.120 -0.003 0.000 0.240 164 V C 1.009 177.041 176.094 -0.104 0.000 1.054 164 V CA 0.838 63.008 62.300 -0.215 0.000 1.076 164 V CB -0.293 31.275 31.823 -0.424 0.000 0.748 164 V HN 1.030 nan 8.190 nan 0.000 0.474 165 G N -1.655 107.091 108.800 -0.091 0.000 2.340 165 G HA2 0.504 4.462 3.960 -0.003 0.000 0.298 165 G HA3 0.504 4.462 3.960 -0.003 0.000 0.298 165 G C -0.755 174.252 174.900 0.178 0.000 1.498 165 G CA -0.110 45.062 45.100 0.119 0.000 0.847 165 G HN 0.490 nan 8.290 nan 0.000 0.594 166 G N -1.542 107.375 108.800 0.196 0.000 2.735 166 G HA2 0.514 4.473 3.960 -0.003 0.000 0.301 166 G HA3 0.514 4.473 3.960 -0.003 0.000 0.301 166 G C 0.327 175.323 174.900 0.161 0.000 1.279 166 G CA -0.338 44.841 45.100 0.132 0.000 1.019 166 G HN 0.659 nan 8.290 nan 0.000 0.497 167 Y N 0.225 120.388 120.300 -0.229 0.000 2.242 167 Y HA 0.081 4.629 4.550 -0.002 0.000 0.291 167 Y C 1.904 177.824 175.900 0.034 0.000 1.137 167 Y CA 1.297 59.248 58.100 -0.247 0.000 1.181 167 Y CB -0.127 38.096 38.460 -0.396 0.000 0.989 167 Y HN 0.312 nan 8.280 nan 0.000 0.527 168 T N 1.688 116.255 114.554 0.023 0.000 2.897 168 T HA 0.116 4.464 4.350 -0.003 0.000 0.294 168 T C -0.119 174.551 174.700 -0.050 0.000 1.004 168 T CA -0.099 61.973 62.100 -0.046 0.000 1.106 168 T CB 0.189 69.055 68.868 -0.004 0.000 0.949 168 T HN 0.403 nan 8.240 nan 0.000 0.520 169 N N 1.150 119.786 118.700 -0.107 0.000 2.727 169 N HA -0.163 4.576 4.740 -0.003 0.000 0.251 169 N C -1.075 174.390 175.510 -0.074 0.000 1.040 169 N CA 0.149 53.142 53.050 -0.096 0.000 0.712 169 N CB -0.548 37.909 38.487 -0.051 0.000 0.912 169 N HN 0.628 nan 8.380 nan 0.000 0.545 170 D N 0.285 120.613 120.400 -0.119 0.000 2.639 170 D HA 0.127 4.765 4.640 -0.003 0.000 0.233 170 D C 1.443 177.648 176.300 -0.158 0.000 1.161 170 D CA -0.015 53.964 54.000 -0.035 0.000 1.003 170 D CB 0.263 41.177 40.800 0.190 0.000 1.034 170 D HN 0.349 nan 8.370 nan 0.000 0.514 171 T N -0.447 114.014 114.554 -0.155 0.000 2.833 171 T HA -0.157 4.192 4.350 -0.003 0.000 0.269 171 T C 1.424 175.992 174.700 -0.220 0.000 1.054 171 T CA 0.666 62.665 62.100 -0.170 0.000 1.135 171 T CB -0.083 68.711 68.868 -0.123 0.000 0.869 171 T HN 0.225 nan 8.240 nan 0.000 0.466 172 N N 1.707 120.200 118.700 -0.346 0.000 2.494 172 N HA 0.099 4.838 4.740 -0.003 0.000 0.182 172 N C 1.443 176.640 175.510 -0.521 0.000 1.076 172 N CA 0.849 53.579 53.050 -0.534 0.000 0.908 172 N CB -0.243 37.620 38.487 -1.039 0.000 0.967 172 N HN 0.719 nan 8.380 nan 0.000 0.449 173 G N 1.108 109.693 108.800 -0.358 0.000 2.298 173 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.287 173 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.287 173 G C 0.201 174.998 174.900 -0.171 0.000 1.075 173 G CA 0.016 45.021 45.100 -0.157 0.000 0.960 173 G HN 0.303 nan 8.290 nan 0.000 0.502 174 Y N -1.167 119.063 120.300 -0.116 0.000 2.373 174 Y HA 0.360 4.909 4.550 -0.002 0.000 0.293 174 Y C 1.555 177.088 175.900 -0.611 0.000 1.129 174 Y CA 0.441 58.305 58.100 -0.393 0.000 1.226 174 Y CB -0.073 38.048 38.460 -0.564 0.000 1.000 174 Y HN 0.396 nan 8.280 nan 0.000 0.549 175 F N -2.223 117.759 119.950 0.054 0.000 2.618 175 F HA 0.424 4.949 4.527 -0.003 0.000 0.332 175 F C -0.033 175.612 175.800 -0.259 0.000 1.061 175 F CA -1.664 56.247 58.000 -0.148 0.000 0.974 175 F CB 0.780 39.740 39.000 -0.068 0.000 1.310 175 F HN -0.262 nan 8.300 nan 0.000 0.491 176 H N 0.216 119.309 119.070 0.038 0.000 2.548 176 H HA 0.285 4.839 4.556 -0.003 0.000 0.331 176 H C -0.511 174.665 175.328 -0.252 0.000 1.093 176 H CA -0.327 55.699 56.048 -0.037 0.000 1.367 176 H CB 0.643 30.427 29.762 0.037 0.000 1.455 176 H HN 0.462 nan 8.280 nan 0.000 0.519 177 H N 2.895 122.068 119.070 0.173 0.000 2.500 177 H HA 0.125 4.680 4.556 -0.002 0.000 0.243 177 H C -0.085 175.256 175.328 0.023 0.000 1.318 177 H CA -0.227 55.850 56.048 0.047 0.000 1.077 177 H CB 0.221 29.919 29.762 -0.106 0.000 1.748 177 H HN 0.658 nan 8.280 nan 0.000 0.556 178 N N 0.906 119.653 118.700 0.078 0.000 2.238 178 N HA 0.144 4.883 4.740 -0.003 0.000 0.222 178 N C 1.168 176.666 175.510 -0.021 0.000 1.133 178 N CA 0.544 53.594 53.050 0.001 0.000 0.854 178 N CB 1.835 40.287 38.487 -0.058 0.000 1.041 178 N HN 0.636 nan 8.380 nan 0.000 0.510 179 G N -0.086 108.721 108.800 0.011 0.000 2.681 179 G HA2 -0.131 3.827 3.960 -0.003 0.000 0.220 179 G HA3 -0.131 3.827 3.960 -0.003 0.000 0.220 179 G C -0.099 174.758 174.900 -0.073 0.000 1.353 179 G CA -0.529 44.558 45.100 -0.022 0.000 0.872 179 G HN 0.409 nan 8.290 nan 0.000 0.557 180 G N -0.773 107.963 108.800 -0.107 0.000 2.371 180 G HA2 0.676 4.634 3.960 -0.003 0.000 0.326 180 G HA3 0.676 4.634 3.960 -0.003 0.000 0.326 180 G C 0.339 175.086 174.900 -0.255 0.000 1.127 180 G CA 1.211 46.205 45.100 -0.176 0.000 0.885 180 G HN 1.716 nan 8.290 nan 0.000 0.477 181 S N -0.252 115.198 115.700 -0.416 0.000 2.572 181 S HA 0.151 4.620 4.470 -0.003 0.000 0.279 181 S C 0.869 175.080 174.600 -0.649 0.000 1.341 181 S CA 0.205 58.053 58.200 -0.586 0.000 1.043 181 S CB 0.844 63.518 63.200 -0.877 0.000 0.887 181 S HN 0.668 nan 8.310 nan 0.000 0.516 182 D N 1.759 121.880 120.400 -0.465 0.000 2.431 182 D HA 0.129 4.767 4.640 -0.003 0.000 0.213 182 D C 0.221 176.483 176.300 -0.063 0.000 1.130 182 D CA -0.299 53.572 54.000 -0.215 0.000 0.834 182 D CB -0.704 40.042 40.800 -0.091 0.000 0.985 182 D HN 0.505 nan 8.370 nan 0.000 0.504 183 F N 0.489 120.388 119.950 -0.086 0.000 3.069 183 F HA -0.299 4.226 4.527 -0.002 0.000 0.285 183 F C 1.743 177.516 175.800 -0.044 0.000 0.827 183 F CA 0.713 58.672 58.000 -0.069 0.000 1.108 183 F CB -2.638 36.320 39.000 -0.069 0.000 1.252 183 F HN 0.188 nan 8.300 nan 0.000 0.483 184 S N -1.607 114.119 115.700 0.042 0.000 2.453 184 S HA 0.228 4.697 4.470 -0.003 0.000 0.231 184 S C 0.796 175.412 174.600 0.026 0.000 1.005 184 S CA 0.622 58.843 58.200 0.034 0.000 0.949 184 S CB 0.213 63.411 63.200 -0.002 0.000 0.774 184 S HN 0.834 nan 8.310 nan 0.000 0.510 185 S N -0.726 114.976 115.700 0.004 0.000 2.588 185 S HA 0.567 5.035 4.470 -0.003 0.000 0.269 185 S C 0.103 174.688 174.600 -0.025 0.000 1.157 185 S CA -0.661 57.542 58.200 0.005 0.000 0.824 185 S CB 0.977 64.167 63.200 -0.018 0.000 1.126 185 S HN 0.096 nan 8.310 nan 0.000 0.464 186 L N 1.518 122.744 121.223 0.005 0.000 2.012 186 L HA 0.023 4.361 4.340 -0.003 0.000 0.210 186 L C 2.579 179.331 176.870 -0.197 0.000 1.073 186 L CA 2.566 57.392 54.840 -0.024 0.000 0.748 186 L CB -0.772 41.377 42.059 0.150 0.000 0.891 186 L HN 1.023 nan 8.230 nan 0.000 0.431 187 E N -0.742 119.235 120.200 -0.371 0.000 2.085 187 E HA -0.316 4.033 4.350 -0.003 0.000 0.194 187 E C 2.024 178.445 176.600 -0.297 0.000 0.994 187 E CA 1.560 57.547 56.400 -0.688 0.000 0.801 187 E CB -0.204 28.973 29.700 -0.871 0.000 0.743 187 E HN 0.676 nan 8.360 nan 0.000 0.453 188 N N -0.678 117.896 118.700 -0.211 0.000 2.166 188 N HA -0.107 4.631 4.740 -0.003 0.000 0.186 188 N C 1.768 177.143 175.510 -0.225 0.000 1.019 188 N CA 1.531 54.473 53.050 -0.180 0.000 0.856 188 N CB -0.262 38.128 38.487 -0.163 0.000 0.993 188 N HN 0.188 nan 8.380 nan 0.000 0.426 189 G N -0.566 108.112 108.800 -0.203 0.000 2.650 189 G HA2 -0.010 3.948 3.960 -0.003 0.000 0.214 189 G HA3 -0.010 3.948 3.960 -0.003 0.000 0.214 189 G C 1.320 176.164 174.900 -0.095 0.000 1.136 189 G CA 0.237 45.251 45.100 -0.144 0.000 0.789 189 G HN 0.320 nan 8.290 nan 0.000 0.536 190 I N -1.372 119.043 120.570 -0.259 0.000 2.628 190 I HA 0.093 4.261 4.170 -0.003 0.000 0.255 190 I C 1.347 177.138 176.117 -0.544 0.000 1.119 190 I CA 0.525 61.570 61.300 -0.425 0.000 1.448 190 I CB 0.216 37.816 38.000 -0.666 0.000 1.133 190 I HN 0.083 nan 8.210 nan 0.000 0.438 191 Y N 1.123 121.301 120.300 -0.203 0.000 2.485 191 Y HA 0.309 4.857 4.550 -0.003 0.000 0.260 191 Y C 0.593 176.262 175.900 -0.385 0.000 1.173 191 Y CA -0.212 57.640 58.100 -0.414 0.000 1.252 191 Y CB -0.010 38.193 38.460 -0.429 0.000 1.123 191 Y HN -0.077 nan 8.280 nan 0.000 0.524 192 K N 0.133 120.442 120.400 -0.153 0.000 2.352 192 K HA 0.319 4.637 4.320 -0.003 0.000 0.240 192 K C -0.663 175.838 176.600 -0.166 0.000 1.017 192 K CA -1.216 54.981 56.287 -0.149 0.000 0.851 192 K CB 0.944 33.325 32.500 -0.198 0.000 1.261 192 K HN -0.126 nan 8.250 nan 0.000 0.451 193 N N 1.450 120.050 118.700 -0.167 0.000 2.492 193 N HA 0.043 4.782 4.740 -0.003 0.000 0.260 193 N C -0.536 174.769 175.510 -0.342 0.000 1.215 193 N CA 0.047 52.970 53.050 -0.212 0.000 0.923 193 N CB 0.393 38.760 38.487 -0.200 0.000 1.092 193 N HN 0.386 nan 8.380 nan 0.000 0.448 194 L N 4.732 125.732 121.223 -0.373 0.000 2.385 194 L HA 0.063 4.401 4.340 -0.003 0.000 0.285 194 L C -0.094 176.517 176.870 -0.431 0.000 1.125 194 L CA 0.019 54.519 54.840 -0.567 0.000 0.890 194 L CB -0.640 41.099 42.059 -0.533 0.000 1.251 194 L HN 0.565 nan 8.230 nan 0.000 0.445 195 Y N 1.300 121.505 120.300 -0.159 0.000 2.865 195 Y HA -0.426 4.122 4.550 -0.003 0.000 0.468 195 Y C 1.359 177.163 175.900 -0.159 0.000 1.177 195 Y CA 1.205 59.229 58.100 -0.127 0.000 2.596 195 Y CB -1.116 37.274 38.460 -0.117 0.000 1.207 195 Y HN 0.781 nan 8.280 nan 0.000 0.627 196 D N 0.819 121.248 120.400 0.047 0.000 2.440 196 D HA 0.252 4.890 4.640 -0.003 0.000 0.216 196 D C -0.202 175.981 176.300 -0.194 0.000 1.150 196 D CA 0.061 54.019 54.000 -0.071 0.000 0.832 196 D CB -0.562 40.249 40.800 0.018 0.000 0.992 196 D HN 0.403 nan 8.370 nan 0.000 0.502 197 L N 1.352 122.444 121.223 -0.219 0.000 2.418 197 L HA 0.376 4.715 4.340 -0.003 0.000 0.274 197 L C 0.714 177.359 176.870 -0.374 0.000 1.135 197 L CA -0.821 53.831 54.840 -0.313 0.000 0.870 197 L CB 0.742 42.541 42.059 -0.433 0.000 1.154 197 L HN 0.018 nan 8.230 nan 0.000 0.462 198 A N 3.011 125.518 122.820 -0.522 0.000 2.505 198 A HA 0.017 4.335 4.320 -0.003 0.000 0.271 198 A C -0.037 177.355 177.584 -0.319 0.000 1.112 198 A CA -0.203 51.380 52.037 -0.756 0.000 0.781 198 A CB -0.304 18.006 19.000 -1.151 0.000 1.059 198 A HN 0.730 nan 8.150 nan 0.000 0.508 199 D N 2.052 122.364 120.400 -0.146 0.000 2.312 199 D HA 0.421 5.060 4.640 -0.003 0.000 0.252 199 D C -0.362 175.962 176.300 0.041 0.000 1.150 199 D CA 0.205 54.221 54.000 0.026 0.000 0.870 199 D CB 0.141 41.012 40.800 0.118 0.000 1.153 199 D HN 0.321 nan 8.370 nan 0.000 0.457 200 F N 2.512 122.427 119.950 -0.057 0.000 2.459 200 F HA 0.170 4.696 4.527 -0.002 0.000 0.346 200 F C 1.147 176.453 175.800 -0.823 0.000 1.128 200 F CA -0.347 57.373 58.000 -0.467 0.000 1.268 200 F CB 0.458 39.026 39.000 -0.719 0.000 1.161 200 F HN 0.277 nan 8.300 nan 0.000 0.583 201 N N 1.652 120.004 118.700 -0.581 0.000 2.699 201 N HA 0.125 4.863 4.740 -0.003 0.000 0.232 201 N C 0.086 175.322 175.510 -0.456 0.000 1.027 201 N CA -0.268 52.400 53.050 -0.638 0.000 0.920 201 N CB -0.132 38.095 38.487 -0.434 0.000 1.148 201 N HN 0.483 nan 8.380 nan 0.000 0.509 202 H N 0.753 119.613 119.070 -0.349 0.000 2.563 202 H HA 0.049 4.603 4.556 -0.002 0.000 0.272 202 H C 1.497 176.691 175.328 -0.224 0.000 1.005 202 H CA 0.528 56.237 56.048 -0.565 0.000 1.171 202 H CB 0.257 29.174 29.762 -1.407 0.000 1.351 202 H HN 0.584 nan 8.280 nan 0.000 0.602 203 N N 1.017 119.736 118.700 0.032 0.000 2.457 203 N HA -0.116 4.622 4.740 -0.003 0.000 0.180 203 N C 0.113 175.674 175.510 0.084 0.000 1.050 203 N CA -0.029 53.095 53.050 0.122 0.000 0.906 203 N CB 0.091 38.669 38.487 0.152 0.000 0.968 203 N HN 0.316 nan 8.380 nan 0.000 0.445 204 N N 0.178 118.894 118.700 0.025 0.000 2.452 204 N HA 0.124 4.862 4.740 -0.003 0.000 0.266 204 N C 0.986 176.544 175.510 0.080 0.000 1.175 204 N CA 0.006 53.082 53.050 0.043 0.000 0.945 204 N CB 1.180 39.690 38.487 0.039 0.000 1.063 204 N HN 0.106 nan 8.380 nan 0.000 0.472 205 A N 2.925 125.806 122.820 0.100 0.000 1.948 205 A HA -0.201 4.117 4.320 -0.003 0.000 0.220 205 A C 2.031 179.683 177.584 0.113 0.000 1.177 205 A CA 2.072 54.181 52.037 0.119 0.000 0.636 205 A CB -0.947 18.116 19.000 0.104 0.000 0.815 205 A HN 0.772 nan 8.150 nan 0.000 0.449 206 T N 0.261 114.878 114.554 0.106 0.000 2.777 206 T HA -0.084 4.265 4.350 -0.003 0.000 0.266 206 T C 1.756 176.449 174.700 -0.011 0.000 1.040 206 T CA 1.388 63.528 62.100 0.067 0.000 1.141 206 T CB -0.251 68.684 68.868 0.112 0.000 0.868 206 T HN 0.328 nan 8.240 nan 0.000 0.444 207 I N 1.719 122.253 120.570 -0.061 0.000 2.315 207 I HA -0.088 4.080 4.170 -0.003 0.000 0.248 207 I C 2.316 178.462 176.117 0.048 0.000 1.117 207 I CA 1.223 62.407 61.300 -0.193 0.000 1.404 207 I CB -1.235 36.584 38.000 -0.302 0.000 1.071 207 I HN 0.293 nan 8.210 nan 0.000 0.419 208 D N 0.992 121.492 120.400 0.167 0.000 2.097 208 D HA -0.245 4.393 4.640 -0.003 0.000 0.195 208 D C 2.303 178.824 176.300 0.369 0.000 0.989 208 D CA 1.479 55.728 54.000 0.416 0.000 0.827 208 D CB 0.059 41.107 40.800 0.413 0.000 0.966 208 D HN 0.169 nan 8.370 nan 0.000 0.456 209 K N -1.229 119.302 120.400 0.219 0.000 2.057 209 K HA -0.220 4.098 4.320 -0.003 0.000 0.206 209 K C 2.196 178.867 176.600 0.119 0.000 1.050 209 K CA 0.976 57.358 56.287 0.159 0.000 0.935 209 K CB -0.413 32.150 32.500 0.104 0.000 0.715 209 K HN 0.271 nan 8.250 nan 0.000 0.439 210 Y N 0.314 120.565 120.300 -0.081 0.000 2.114 210 Y HA -0.266 4.282 4.550 -0.002 0.000 0.282 210 Y C 1.620 177.372 175.900 -0.247 0.000 1.165 210 Y CA 1.979 59.930 58.100 -0.248 0.000 1.148 210 Y CB -0.251 37.904 38.460 -0.507 0.000 0.972 210 Y HN 0.028 nan 8.280 nan 0.000 0.504 211 F N 0.230 120.272 119.950 0.155 0.000 2.325 211 F HA -0.052 4.474 4.527 -0.003 0.000 0.299 211 F C 2.173 178.187 175.800 0.357 0.000 1.090 211 F CA 1.315 59.420 58.000 0.176 0.000 1.392 211 F CB -0.368 38.691 39.000 0.098 0.000 1.053 211 F HN -0.048 nan 8.300 nan 0.000 0.521 212 K N -0.072 120.601 120.400 0.454 0.000 2.062 212 K HA -0.124 4.194 4.320 -0.003 0.000 0.205 212 K C 1.610 178.274 176.600 0.106 0.000 1.051 212 K CA 1.445 57.928 56.287 0.327 0.000 0.941 212 K CB -0.195 32.434 32.500 0.215 0.000 0.719 212 K HN 0.074 nan 8.250 nan 0.000 0.440 213 D N 0.795 121.208 120.400 0.021 0.000 2.097 213 D HA -0.113 4.525 4.640 -0.003 0.000 0.197 213 D C 1.841 178.086 176.300 -0.091 0.000 0.984 213 D CA 1.298 55.249 54.000 -0.082 0.000 0.826 213 D CB -0.223 40.501 40.800 -0.127 0.000 0.973 213 D HN 0.179 nan 8.370 nan 0.000 0.460 214 A N 0.582 123.341 122.820 -0.101 0.000 1.933 214 A HA -0.149 4.170 4.320 -0.003 0.000 0.218 214 A C 2.196 179.963 177.584 0.304 0.000 1.175 214 A CA 0.910 52.975 52.037 0.047 0.000 0.628 214 A CB -0.573 18.433 19.000 0.011 0.000 0.814 214 A HN 0.213 nan 8.150 nan 0.000 0.444 215 I N -0.316 120.413 120.570 0.264 0.000 2.439 215 I HA -0.133 4.036 4.170 -0.003 0.000 0.251 215 I C 2.067 178.204 176.117 0.034 0.000 1.139 215 I CA 1.436 62.793 61.300 0.095 0.000 1.438 215 I CB -0.272 37.710 38.000 -0.031 0.000 1.085 215 I HN 0.232 nan 8.210 nan 0.000 0.427 216 K N -0.032 120.331 120.400 -0.062 0.000 2.097 216 K HA -0.182 4.136 4.320 -0.003 0.000 0.206 216 K C 2.152 178.706 176.600 -0.076 0.000 1.049 216 K CA 1.521 57.705 56.287 -0.172 0.000 0.933 216 K CB -0.392 31.878 32.500 -0.383 0.000 0.717 216 K HN 0.381 nan 8.250 nan 0.000 0.442 217 L N -0.139 121.017 121.223 -0.112 0.000 1.989 217 L HA -0.220 4.118 4.340 -0.003 0.000 0.211 217 L C 1.963 178.684 176.870 -0.248 0.000 1.071 217 L CA 1.742 56.437 54.840 -0.241 0.000 0.749 217 L CB -0.232 41.577 42.059 -0.417 0.000 0.890 217 L HN 0.322 nan 8.230 nan 0.000 0.431 218 W N -0.302 121.018 121.300 0.033 0.000 2.402 218 W HA -0.121 4.538 4.660 -0.003 0.000 0.286 218 W C 2.378 178.952 176.519 0.092 0.000 1.221 218 W CA 0.402 57.783 57.345 0.060 0.000 1.257 218 W CB -0.356 29.130 29.460 0.044 0.000 1.120 218 W HN 0.097 nan 8.180 nan 0.000 0.551 219 L N -0.078 121.284 121.223 0.232 0.000 2.056 219 L HA -0.200 4.138 4.340 -0.003 0.000 0.207 219 L C 1.867 178.845 176.870 0.180 0.000 1.078 219 L CA 1.156 56.110 54.840 0.190 0.000 0.749 219 L CB -0.754 41.404 42.059 0.165 0.000 0.901 219 L HN -0.106 nan 8.230 nan 0.000 0.433 220 D N -0.274 120.219 120.400 0.156 0.000 2.263 220 D HA -0.136 4.503 4.640 -0.003 0.000 0.208 220 D C 2.125 178.486 176.300 0.101 0.000 0.971 220 D CA 1.073 55.146 54.000 0.121 0.000 0.867 220 D CB 0.032 40.882 40.800 0.083 0.000 0.929 220 D HN 0.331 nan 8.370 nan 0.000 0.492 221 M N -1.114 118.567 119.600 0.134 0.000 2.618 221 M HA 0.139 4.617 4.480 -0.003 0.000 0.240 221 M C 1.037 177.444 176.300 0.178 0.000 1.123 221 M CA 0.578 55.979 55.300 0.168 0.000 1.060 221 M CB 0.665 33.427 32.600 0.271 0.000 1.535 221 M HN 0.105 nan 8.290 nan 0.000 0.507 222 G N 1.286 110.199 108.800 0.188 0.000 2.148 222 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.203 222 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.203 222 G C 0.092 175.138 174.900 0.243 0.000 0.993 222 G CA 0.044 45.265 45.100 0.202 0.000 0.661 222 G HN 0.453 nan 8.290 nan 0.000 0.518 223 V N -1.668 118.400 119.914 0.257 0.000 2.872 223 V HA 0.477 4.596 4.120 -0.003 0.000 0.307 223 V C 0.904 177.145 176.094 0.244 0.000 1.072 223 V CA 0.779 63.232 62.300 0.256 0.000 1.148 223 V CB 1.229 33.229 31.823 0.295 0.000 0.954 223 V HN 0.182 nan 8.190 nan 0.000 0.490 224 D N 2.882 123.452 120.400 0.283 0.000 2.389 224 D HA 0.315 4.954 4.640 -0.003 0.000 0.206 224 D C 0.711 177.253 176.300 0.403 0.000 1.055 224 D CA 1.195 55.395 54.000 0.333 0.000 0.856 224 D CB 1.233 42.249 40.800 0.361 0.000 0.957 224 D HN 0.939 nan 8.370 nan 0.000 0.509 225 G N 0.494 109.451 108.800 0.261 0.000 2.601 225 G HA2 0.569 4.527 3.960 -0.003 0.000 0.291 225 G HA3 0.569 4.527 3.960 -0.003 0.000 0.291 225 G C -1.726 173.157 174.900 -0.028 0.000 1.456 225 G CA -0.682 44.479 45.100 0.101 0.000 0.804 225 G HN -0.001 nan 8.290 nan 0.000 0.499 226 I N 0.587 121.049 120.570 -0.180 0.000 2.569 226 I HA 0.482 4.650 4.170 -0.003 0.000 0.290 226 I C -0.449 175.287 176.117 -0.636 0.000 1.088 226 I CA -0.975 60.159 61.300 -0.276 0.000 1.047 226 I CB 2.433 40.308 38.000 -0.207 0.000 1.237 226 I HN 0.234 nan 8.210 nan 0.000 0.421 227 R N 5.928 126.004 120.500 -0.707 0.000 2.239 227 R HA 0.463 4.802 4.340 -0.003 0.000 0.332 227 R C -1.433 174.660 176.300 -0.344 0.000 0.988 227 R CA -0.572 54.878 56.100 -1.083 0.000 0.859 227 R CB 1.246 30.799 30.300 -1.246 0.000 1.148 227 R HN 0.448 nan 8.270 nan 0.000 0.482 228 V N 4.306 124.086 119.914 -0.223 0.000 2.432 228 V HA 0.062 4.180 4.120 -0.003 0.000 0.271 228 V C 0.554 176.700 176.094 0.087 0.000 1.046 228 V CA -0.627 61.714 62.300 0.068 0.000 0.945 228 V CB 1.176 33.104 31.823 0.175 0.000 0.992 228 V HN 0.632 nan 8.190 nan 0.000 0.471 229 D N 4.123 124.610 120.400 0.145 0.000 2.302 229 D HA 0.496 5.135 4.640 -0.003 0.000 0.248 229 D C 0.767 177.135 176.300 0.114 0.000 1.094 229 D CA 0.534 54.628 54.000 0.156 0.000 0.897 229 D CB 1.038 41.960 40.800 0.203 0.000 1.200 229 D HN 1.093 nan 8.370 nan 0.000 0.429 230 A N 2.492 125.384 122.820 0.120 0.000 2.687 230 A HA -0.187 4.132 4.320 -0.003 0.000 0.299 230 A C 1.533 179.120 177.584 0.005 0.000 1.497 230 A CA 0.966 53.083 52.037 0.134 0.000 0.751 230 A CB -2.424 16.713 19.000 0.227 0.000 1.048 230 A HN 1.135 nan 8.150 nan 0.000 0.464 231 V N -1.952 117.920 119.914 -0.070 0.000 2.720 231 V HA -0.179 3.940 4.120 -0.003 0.000 0.256 231 V C 1.897 177.708 176.094 -0.471 0.000 1.082 231 V CA 2.555 64.751 62.300 -0.173 0.000 1.101 231 V CB -0.658 31.066 31.823 -0.165 0.000 0.693 231 V HN 0.716 nan 8.190 nan 0.000 0.479 232 K N -0.654 119.282 120.400 -0.773 0.000 2.486 232 K HA -0.062 4.256 4.320 -0.003 0.000 0.194 232 K C 1.308 177.257 176.600 -1.085 0.000 1.033 232 K CA 0.801 56.247 56.287 -1.402 0.000 1.004 232 K CB -0.099 31.218 32.500 -1.972 0.000 0.798 232 K HN 0.713 nan 8.250 nan 0.000 0.495 233 H N -0.558 118.314 119.070 -0.331 0.000 2.528 233 H HA 0.264 4.818 4.556 -0.003 0.000 0.282 233 H C -0.229 174.996 175.328 -0.172 0.000 1.097 233 H CA 0.019 55.927 56.048 -0.233 0.000 1.121 233 H CB 0.253 29.915 29.762 -0.166 0.000 1.590 233 H HN 0.123 nan 8.280 nan 0.000 0.553 234 M N 0.726 120.269 119.600 -0.094 0.000 2.550 234 M HA 0.366 4.845 4.480 -0.003 0.000 0.292 234 M C -2.722 173.593 176.300 0.025 0.000 1.221 234 M CA -1.904 53.373 55.300 -0.038 0.000 0.873 234 M CB 3.004 35.589 32.600 -0.024 0.000 1.727 234 M HN -0.208 nan 8.290 nan 0.000 0.459 235 P HA 0.071 nan 4.420 nan 0.000 0.268 235 P C 0.380 177.848 177.300 0.281 0.000 1.204 235 P CA -0.109 63.092 63.100 0.169 0.000 0.768 235 P CB 0.625 32.461 31.700 0.227 0.000 0.842 236 L N 3.429 124.839 121.223 0.312 0.000 2.046 236 L HA -0.136 4.202 4.340 -0.003 0.000 0.208 236 L C 2.197 179.186 176.870 0.198 0.000 1.077 236 L CA 2.265 57.315 54.840 0.349 0.000 0.747 236 L CB -1.030 41.236 42.059 0.346 0.000 0.896 236 L HN 0.537 nan 8.230 nan 0.000 0.432 237 G N -0.562 108.342 108.800 0.173 0.000 2.491 237 G HA2 -0.388 3.570 3.960 -0.003 0.000 0.218 237 G HA3 -0.388 3.570 3.960 -0.003 0.000 0.218 237 G C 1.204 176.204 174.900 0.167 0.000 1.180 237 G CA 0.905 46.098 45.100 0.155 0.000 0.774 237 G HN 0.670 nan 8.290 nan 0.000 0.562 238 W N 1.378 122.727 121.300 0.083 0.000 2.358 238 W HA -0.080 4.579 4.660 -0.002 0.000 0.303 238 W C 2.879 179.436 176.519 0.063 0.000 1.208 238 W CA 1.779 59.161 57.345 0.061 0.000 1.274 238 W CB -0.174 29.285 29.460 -0.003 0.000 1.138 238 W HN 0.307 nan 8.180 nan 0.000 0.515 239 Q N 0.116 119.943 119.800 0.045 0.000 2.124 239 Q HA -0.264 4.074 4.340 -0.003 0.000 0.202 239 Q C 2.237 178.167 176.000 -0.117 0.000 0.977 239 Q CA 1.912 57.683 55.803 -0.053 0.000 0.850 239 Q CB -0.447 28.438 28.738 0.244 0.000 0.901 239 Q HN 0.350 nan 8.270 nan 0.000 0.429 240 K N 0.233 120.577 120.400 -0.093 0.000 2.057 240 K HA -0.140 4.179 4.320 -0.003 0.000 0.206 240 K C 2.309 178.815 176.600 -0.155 0.000 1.050 240 K CA 1.391 57.607 56.287 -0.119 0.000 0.935 240 K CB -0.135 32.324 32.500 -0.068 0.000 0.715 240 K HN 0.023 nan 8.250 nan 0.000 0.439 241 S N 0.040 115.639 115.700 -0.168 0.000 2.356 241 S HA -0.185 4.283 4.470 -0.003 0.000 0.223 241 S C 1.664 176.117 174.600 -0.245 0.000 1.032 241 S CA 1.310 59.408 58.200 -0.170 0.000 1.005 241 S CB -0.485 62.630 63.200 -0.142 0.000 0.867 241 S HN 0.611 nan 8.310 nan 0.000 0.449 242 W N 1.677 122.565 121.300 -0.687 0.000 2.358 242 W HA -0.052 4.606 4.660 -0.002 0.000 0.303 242 W C 1.995 178.218 176.519 -0.492 0.000 1.208 242 W CA 1.479 58.400 57.345 -0.707 0.000 1.274 242 W CB -0.406 28.326 29.460 -1.213 0.000 1.138 242 W HN 0.246 nan 8.180 nan 0.000 0.515 243 M N 0.529 119.837 119.600 -0.487 0.000 2.159 243 M HA -0.160 4.318 4.480 -0.003 0.000 0.263 243 M C 2.381 178.250 176.300 -0.719 0.000 1.063 243 M CA 2.093 56.947 55.300 -0.744 0.000 1.110 243 M CB -2.038 30.237 32.600 -0.541 0.000 1.374 243 M HN 0.262 nan 8.290 nan 0.000 0.411 244 S N -0.127 115.354 115.700 -0.366 0.000 2.402 244 S HA -0.093 4.376 4.470 -0.003 0.000 0.229 244 S C 2.033 176.532 174.600 -0.168 0.000 1.021 244 S CA 1.446 59.541 58.200 -0.175 0.000 0.974 244 S CB -0.726 62.431 63.200 -0.071 0.000 0.800 244 S HN 0.567 nan 8.310 nan 0.000 0.484 245 S N 1.868 117.424 115.700 -0.239 0.000 2.406 245 S HA 0.085 4.554 4.470 -0.003 0.000 0.228 245 S C 1.848 176.319 174.600 -0.215 0.000 1.020 245 S CA 0.745 58.838 58.200 -0.178 0.000 0.965 245 S CB -0.824 62.280 63.200 -0.161 0.000 0.798 245 S HN 0.569 nan 8.310 nan 0.000 0.488 246 I N 0.021 120.333 120.570 -0.429 0.000 2.202 246 I HA -0.114 4.055 4.170 -0.003 0.000 0.242 246 I C 2.198 178.234 176.117 -0.135 0.000 1.091 246 I CA 1.286 62.341 61.300 -0.408 0.000 1.368 246 I CB -0.434 37.108 38.000 -0.764 0.000 1.058 246 I HN 0.235 nan 8.210 nan 0.000 0.410 247 Y N 0.795 121.008 120.300 -0.145 0.000 2.352 247 Y HA -0.095 4.454 4.550 -0.002 0.000 0.292 247 Y C 2.543 178.420 175.900 -0.039 0.000 1.136 247 Y CA 0.556 58.609 58.100 -0.079 0.000 1.227 247 Y CB -1.091 37.321 38.460 -0.079 0.000 0.991 247 Y HN 0.133 nan 8.280 nan 0.000 0.545 248 A N -1.521 121.367 122.820 0.112 0.000 2.072 248 A HA -0.099 4.219 4.320 -0.003 0.000 0.216 248 A C 2.087 179.721 177.584 0.082 0.000 1.156 248 A CA 1.126 53.209 52.037 0.076 0.000 0.701 248 A CB -0.598 18.431 19.000 0.048 0.000 0.816 248 A HN 0.544 nan 8.150 nan 0.000 0.458 249 H N -0.702 118.359 119.070 -0.014 0.000 2.315 249 H HA 0.294 4.848 4.556 -0.003 0.000 0.318 249 H C -0.297 175.030 175.328 -0.001 0.000 1.068 249 H CA 0.873 56.909 56.048 -0.019 0.000 1.465 249 H CB 0.278 30.011 29.762 -0.049 0.000 1.475 249 H HN 0.241 nan 8.280 nan 0.000 0.597 250 K N 1.848 122.248 120.400 0.000 0.000 2.764 250 K HA 0.249 4.568 4.320 -0.003 0.000 0.239 250 K C -2.822 173.827 176.600 0.082 0.000 1.048 250 K CA -1.843 54.426 56.287 -0.029 0.000 1.057 250 K CB 2.589 35.071 32.500 -0.030 0.000 1.251 250 K HN 0.248 nan 8.250 nan 0.000 0.524 251 P HA -0.025 nan 4.420 nan 0.000 0.262 251 P C -0.413 176.995 177.300 0.179 0.000 1.199 251 P CA -0.116 63.108 63.100 0.207 0.000 0.763 251 P CB 0.811 32.567 31.700 0.093 0.000 0.790 252 V N 1.453 121.511 119.914 0.239 0.000 3.007 252 V HA 0.503 4.621 4.120 -0.003 0.000 0.311 252 V C -0.480 175.791 176.094 0.295 0.000 1.120 252 V CA -1.474 60.970 62.300 0.240 0.000 0.980 252 V CB 1.835 33.762 31.823 0.174 0.000 1.033 252 V HN 0.301 nan 8.190 nan 0.000 0.429 253 F N 2.607 122.663 119.950 0.176 0.000 2.571 253 F HA 0.562 5.087 4.527 -0.002 0.000 0.384 253 F C 0.421 176.250 175.800 0.048 0.000 1.058 253 F CA 0.820 58.886 58.000 0.110 0.000 1.200 253 F CB 0.191 39.205 39.000 0.024 0.000 1.077 253 F HN 0.763 nan 8.300 nan 0.000 0.558 254 T N 8.342 122.629 114.554 -0.445 0.000 2.824 254 T HA 0.603 4.951 4.350 -0.003 0.000 0.282 254 T C -1.086 173.346 174.700 -0.446 0.000 0.993 254 T CA -0.291 61.566 62.100 -0.406 0.000 0.967 254 T CB 0.906 69.633 68.868 -0.234 0.000 0.960 254 T HN 0.418 nan 8.240 nan 0.000 0.441 255 F N -0.250 119.379 119.950 -0.536 0.000 2.599 255 F HA 0.934 5.460 4.527 -0.003 0.000 0.311 255 F C -0.071 175.656 175.800 -0.122 0.000 1.076 255 F CA -1.396 56.394 58.000 -0.351 0.000 0.937 255 F CB 1.062 39.804 39.000 -0.429 0.000 1.282 255 F HN 0.726 nan 8.300 nan 0.000 0.460 256 G N -0.304 108.579 108.800 0.139 0.000 2.685 256 G HA2 0.704 4.662 3.960 -0.003 0.000 0.298 256 G HA3 0.704 4.662 3.960 -0.003 0.000 0.298 256 G C -1.900 173.152 174.900 0.253 0.000 1.277 256 G CA -0.909 44.272 45.100 0.136 0.000 0.986 256 G HN 1.083 nan 8.290 nan 0.000 0.487 257 A N 0.281 123.247 122.820 0.243 0.000 2.273 257 A HA 0.542 4.861 4.320 -0.003 0.000 0.320 257 A C -1.138 176.645 177.584 0.331 0.000 1.358 257 A CA -0.559 51.707 52.037 0.382 0.000 0.910 257 A CB 0.213 19.437 19.000 0.373 0.000 1.159 257 A HN 0.637 nan 8.150 nan 0.000 0.526 258 W N 5.450 126.877 121.300 0.212 0.000 2.363 258 W HA 0.402 5.061 4.660 -0.002 0.000 0.314 258 W C -1.537 174.972 176.519 -0.017 0.000 0.994 258 W CA -2.004 55.362 57.345 0.034 0.000 1.449 258 W CB 0.730 30.169 29.460 -0.036 0.000 1.248 258 W HN 0.579 nan 8.180 nan 0.000 0.409 259 F N 6.109 125.944 119.950 -0.192 0.000 2.572 259 F HA 0.292 4.818 4.527 -0.002 0.000 0.370 259 F C -0.611 175.028 175.800 -0.268 0.000 1.103 259 F CA 0.821 58.440 58.000 -0.635 0.000 1.286 259 F CB 0.573 39.264 39.000 -0.515 0.000 1.105 259 F HN 0.182 nan 8.300 nan 0.000 0.583 260 L N 5.285 125.726 121.223 -1.303 0.000 2.422 260 L HA 0.367 4.705 4.340 -0.003 0.000 0.264 260 L C 0.820 177.142 176.870 -0.912 0.000 0.984 260 L CA -0.545 53.923 54.840 -0.621 0.000 0.819 260 L CB 2.104 44.084 42.059 -0.132 0.000 1.330 260 L HN 0.761 nan 8.230 nan 0.000 0.410 261 G N 0.270 108.846 108.800 -0.373 0.000 2.683 261 G HA2 0.077 4.035 3.960 -0.003 0.000 0.213 261 G HA3 0.077 4.035 3.960 -0.003 0.000 0.213 261 G C 0.453 175.321 174.900 -0.054 0.000 1.142 261 G CA 0.724 45.729 45.100 -0.158 0.000 0.793 261 G HN 0.571 nan 8.290 nan 0.000 0.534 262 S N -1.938 113.740 115.700 -0.038 0.000 2.806 262 S HA 0.669 5.138 4.470 -0.003 0.000 0.306 262 S C 0.759 175.369 174.600 0.017 0.000 1.167 262 S CA 0.147 58.347 58.200 -0.000 0.000 0.847 262 S CB 1.502 64.706 63.200 0.007 0.000 1.216 262 S HN 0.449 nan 8.310 nan 0.000 0.532 263 A N -0.221 122.610 122.820 0.017 0.000 2.238 263 A HA 0.664 4.982 4.320 -0.003 0.000 0.208 263 A C 1.136 178.736 177.584 0.027 0.000 1.177 263 A CA 0.359 52.414 52.037 0.029 0.000 0.804 263 A CB -1.263 17.739 19.000 0.005 0.000 0.823 263 A HN 1.374 nan 8.150 nan 0.000 0.482 264 A N 0.136 122.966 122.820 0.017 0.000 2.462 264 A HA 0.455 4.773 4.320 -0.003 0.000 0.243 264 A C 0.791 178.380 177.584 0.008 0.000 1.076 264 A CA 0.271 52.314 52.037 0.009 0.000 0.773 264 A CB -0.062 18.944 19.000 0.009 0.000 1.010 264 A HN 0.477 nan 8.150 nan 0.000 0.493 265 S N 0.664 116.356 115.700 -0.012 0.000 2.549 265 S HA 0.139 4.607 4.470 -0.003 0.000 0.286 265 S C -0.268 174.319 174.600 -0.022 0.000 1.314 265 S CA -0.146 58.030 58.200 -0.040 0.000 1.062 265 S CB 0.042 63.206 63.200 -0.060 0.000 0.865 265 S HN 0.710 nan 8.310 nan 0.000 0.498 266 D N 3.348 123.727 120.400 -0.035 0.000 2.549 266 D HA 0.446 5.084 4.640 -0.003 0.000 0.251 266 D C 0.841 177.114 176.300 -0.045 0.000 1.153 266 D CA -0.348 53.645 54.000 -0.011 0.000 0.861 266 D CB 1.659 42.468 40.800 0.017 0.000 1.207 266 D HN 0.579 nan 8.370 nan 0.000 0.543 267 A N 4.342 127.157 122.820 -0.009 0.000 1.873 267 A HA -0.243 4.075 4.320 -0.003 0.000 0.218 267 A C 1.571 179.144 177.584 -0.017 0.000 1.193 267 A CA 1.676 53.710 52.037 -0.005 0.000 0.629 267 A CB -0.234 18.787 19.000 0.035 0.000 0.826 267 A HN 0.658 nan 8.150 nan 0.000 0.447 268 D N -0.427 119.983 120.400 0.017 0.000 2.117 268 D HA -0.169 4.469 4.640 -0.003 0.000 0.197 268 D C 1.875 177.933 176.300 -0.404 0.000 0.987 268 D CA 1.288 55.292 54.000 0.007 0.000 0.829 268 D CB -0.540 40.434 40.800 0.290 0.000 0.961 268 D HN 0.617 nan 8.370 nan 0.000 0.460 269 N N 0.650 118.966 118.700 -0.640 0.000 2.084 269 N HA -0.135 4.604 4.740 -0.003 0.000 0.190 269 N C 1.495 176.820 175.510 -0.307 0.000 1.030 269 N CA 1.525 53.974 53.050 -1.002 0.000 0.849 269 N CB 0.005 38.083 38.487 -0.682 0.000 1.012 269 N HN 0.034 nan 8.380 nan 0.000 0.423 270 T N 0.924 115.401 114.554 -0.128 0.000 2.746 270 T HA -0.106 4.243 4.350 -0.003 0.000 0.267 270 T C 1.165 175.890 174.700 0.040 0.000 1.039 270 T CA 1.361 63.457 62.100 -0.007 0.000 1.142 270 T CB -0.411 68.381 68.868 -0.127 0.000 0.866 270 T HN 0.252 nan 8.240 nan 0.000 0.444 271 D N 0.299 120.699 120.400 0.000 0.000 2.104 271 D HA -0.049 4.589 4.640 -0.003 0.000 0.194 271 D C 1.629 177.968 176.300 0.065 0.000 0.994 271 D CA 0.736 54.761 54.000 0.042 0.000 0.830 271 D CB -0.432 40.410 40.800 0.070 0.000 0.959 271 D HN 0.302 nan 8.370 nan 0.000 0.452 272 F N 1.221 121.120 119.950 -0.085 0.000 2.095 272 F HA -0.199 4.327 4.527 -0.003 0.000 0.298 272 F C 2.217 178.035 175.800 0.031 0.000 1.104 272 F CA 1.732 59.724 58.000 -0.013 0.000 1.232 272 F CB -0.296 38.653 39.000 -0.085 0.000 0.987 272 F HN -0.042 nan 8.300 nan 0.000 0.475 273 A N -0.029 122.910 122.820 0.198 0.000 1.972 273 A HA -0.201 4.117 4.320 -0.003 0.000 0.219 273 A C 1.895 179.519 177.584 0.067 0.000 1.169 273 A CA 1.973 54.098 52.037 0.146 0.000 0.635 273 A CB -0.705 18.404 19.000 0.182 0.000 0.810 273 A HN 0.516 nan 8.150 nan 0.000 0.446 274 N N -0.785 117.955 118.700 0.067 0.000 2.409 274 N HA 0.028 4.767 4.740 -0.003 0.000 0.174 274 N C 1.222 176.717 175.510 -0.024 0.000 1.037 274 N CA 1.001 54.074 53.050 0.038 0.000 0.898 274 N CB 0.046 38.567 38.487 0.056 0.000 1.010 274 N HN 0.575 nan 8.380 nan 0.000 0.445 275 K N -0.304 120.052 120.400 -0.073 0.000 2.391 275 K HA 0.171 4.490 4.320 -0.003 0.000 0.197 275 K C 1.724 178.217 176.600 -0.179 0.000 1.087 275 K CA 0.142 56.373 56.287 -0.093 0.000 1.012 275 K CB 0.559 33.033 32.500 -0.043 0.000 0.925 275 K HN 0.046 nan 8.250 nan 0.000 0.547 276 S N 0.031 115.511 115.700 -0.367 0.000 2.406 276 S HA 0.021 4.489 4.470 -0.003 0.000 0.228 276 S C 1.664 176.110 174.600 -0.256 0.000 1.020 276 S CA 0.986 58.887 58.200 -0.498 0.000 0.965 276 S CB -0.044 62.410 63.200 -1.244 0.000 0.798 276 S HN 0.390 nan 8.310 nan 0.000 0.488 277 G N 1.131 109.837 108.800 -0.157 0.000 2.184 277 G HA2 -0.179 3.779 3.960 -0.003 0.000 0.206 277 G HA3 -0.179 3.779 3.960 -0.003 0.000 0.206 277 G C -0.083 174.849 174.900 0.054 0.000 0.995 277 G CA 0.077 45.169 45.100 -0.014 0.000 0.651 277 G HN 0.935 nan 8.290 nan 0.000 0.511 278 M N -0.099 119.482 119.600 -0.032 0.000 2.658 278 M HA 0.853 5.332 4.480 -0.003 0.000 0.295 278 M C 0.288 176.610 176.300 0.037 0.000 1.248 278 M CA -0.284 55.024 55.300 0.013 0.000 0.843 278 M CB 1.920 34.533 32.600 0.021 0.000 1.749 278 M HN 0.545 nan 8.290 nan 0.000 0.464 279 S N 0.707 116.425 115.700 0.029 0.000 2.690 279 S HA 0.880 5.348 4.470 -0.003 0.000 0.285 279 S C -0.635 174.056 174.600 0.152 0.000 1.135 279 S CA -0.686 57.550 58.200 0.061 0.000 1.020 279 S CB 1.129 64.355 63.200 0.043 0.000 1.159 279 S HN 0.613 nan 8.310 nan 0.000 0.534 280 L N -0.345 120.943 121.223 0.107 0.000 2.303 280 L HA 0.555 4.893 4.340 -0.003 0.000 0.256 280 L C -0.763 176.216 176.870 0.180 0.000 1.034 280 L CA -0.830 54.132 54.840 0.203 0.000 0.832 280 L CB 1.417 43.590 42.059 0.191 0.000 1.403 280 L HN 0.745 nan 8.230 nan 0.000 0.419 281 L N 1.669 123.071 121.223 0.300 0.000 2.360 281 L HA 0.168 4.507 4.340 -0.003 0.000 0.276 281 L C -0.000 177.023 176.870 0.257 0.000 1.121 281 L CA -0.209 54.785 54.840 0.257 0.000 0.845 281 L CB 0.390 42.569 42.059 0.199 0.000 1.143 281 L HN 0.489 nan 8.230 nan 0.000 0.452 282 D N 3.218 123.728 120.400 0.185 0.000 2.498 282 D HA 0.004 4.643 4.640 -0.003 0.000 0.229 282 D C 0.836 177.181 176.300 0.074 0.000 1.188 282 D CA 0.163 54.236 54.000 0.121 0.000 1.028 282 D CB 0.224 41.030 40.800 0.009 0.000 1.087 282 D HN 0.280 nan 8.370 nan 0.000 0.510 283 F N 1.408 121.488 119.950 0.217 0.000 2.365 283 F HA -0.012 4.514 4.527 -0.002 0.000 0.300 283 F C 2.385 178.206 175.800 0.035 0.000 1.090 283 F CA 0.566 58.631 58.000 0.109 0.000 1.408 283 F CB 0.163 39.199 39.000 0.060 0.000 1.060 283 F HN 0.218 nan 8.300 nan 0.000 0.534 284 R N -0.891 119.766 120.500 0.260 0.000 2.073 284 R HA -0.153 4.186 4.340 -0.003 0.000 0.229 284 R C 2.216 178.610 176.300 0.156 0.000 1.120 284 R CA 1.495 57.705 56.100 0.184 0.000 0.967 284 R CB -1.018 29.405 30.300 0.206 0.000 0.862 284 R HN 0.292 nan 8.270 nan 0.000 0.436 285 F N 2.776 122.744 119.950 0.030 0.000 2.102 285 F HA -0.222 4.303 4.527 -0.003 0.000 0.298 285 F C 2.239 178.004 175.800 -0.058 0.000 1.105 285 F CA 1.562 59.569 58.000 0.012 0.000 1.239 285 F CB -0.460 38.537 39.000 -0.006 0.000 0.991 285 F HN 0.025 nan 8.300 nan 0.000 0.474 286 N N -0.160 118.558 118.700 0.030 0.000 2.043 286 N HA -0.217 4.522 4.740 -0.003 0.000 0.193 286 N C 1.904 177.384 175.510 -0.050 0.000 1.037 286 N CA 1.909 54.853 53.050 -0.176 0.000 0.851 286 N CB -0.256 37.872 38.487 -0.599 0.000 1.027 286 N HN 0.337 nan 8.380 nan 0.000 0.422 287 S N 0.777 116.477 115.700 -0.001 0.000 2.359 287 S HA -0.109 4.360 4.470 -0.003 0.000 0.224 287 S C 2.192 176.773 174.600 -0.032 0.000 1.035 287 S CA 1.287 59.494 58.200 0.012 0.000 1.018 287 S CB -0.506 62.709 63.200 0.025 0.000 0.876 287 S HN 0.605 nan 8.310 nan 0.000 0.448 288 A N 1.217 123.991 122.820 -0.077 0.000 1.883 288 A HA -0.072 4.247 4.320 -0.003 0.000 0.217 288 A C 2.378 179.865 177.584 -0.161 0.000 1.186 288 A CA 1.691 53.647 52.037 -0.136 0.000 0.624 288 A CB -1.034 17.862 19.000 -0.174 0.000 0.822 288 A HN 0.339 nan 8.150 nan 0.000 0.444 289 V N -0.070 119.745 119.914 -0.166 0.000 2.332 289 V HA -0.288 3.830 4.120 -0.003 0.000 0.248 289 V C 2.672 178.889 176.094 0.205 0.000 1.055 289 V CA 2.382 64.683 62.300 0.001 0.000 1.038 289 V CB -0.810 31.004 31.823 -0.015 0.000 0.651 289 V HN 0.536 nan 8.190 nan 0.000 0.450 290 R N -0.049 120.535 120.500 0.140 0.000 2.090 290 R HA -0.084 4.254 4.340 -0.003 0.000 0.228 290 R C 2.235 178.533 176.300 -0.003 0.000 1.110 290 R CA 1.356 57.520 56.100 0.106 0.000 0.973 290 R CB -0.381 29.952 30.300 0.055 0.000 0.869 290 R HN 0.505 nan 8.270 nan 0.000 0.440 291 N N 0.167 118.847 118.700 -0.034 0.000 2.166 291 N HA -0.117 4.621 4.740 -0.003 0.000 0.186 291 N C 1.773 177.215 175.510 -0.113 0.000 1.019 291 N CA 1.113 54.121 53.050 -0.071 0.000 0.856 291 N CB -0.135 38.305 38.487 -0.077 0.000 0.993 291 N HN 0.023 nan 8.380 nan 0.000 0.426 292 V N -0.139 119.669 119.914 -0.177 0.000 2.331 292 V HA -0.051 4.067 4.120 -0.003 0.000 0.242 292 V C 1.643 177.517 176.094 -0.367 0.000 1.034 292 V CA 1.261 63.347 62.300 -0.357 0.000 1.027 292 V CB -0.461 30.991 31.823 -0.619 0.000 0.667 292 V HN 0.076 nan 8.190 nan 0.000 0.457 293 F N -0.366 119.581 119.950 -0.005 0.000 2.387 293 F HA 0.179 4.704 4.527 -0.003 0.000 0.294 293 F C 2.437 178.300 175.800 0.106 0.000 1.093 293 F CA 1.045 59.105 58.000 0.101 0.000 1.420 293 F CB -0.194 38.943 39.000 0.228 0.000 1.086 293 F HN -0.088 nan 8.300 nan 0.000 0.531 294 R N 0.419 120.993 120.500 0.125 0.000 2.051 294 R HA -0.021 4.317 4.340 -0.003 0.000 0.218 294 R C 1.234 177.454 176.300 -0.133 0.000 1.188 294 R CA 1.335 57.307 56.100 -0.215 0.000 0.992 294 R CB -0.185 29.659 30.300 -0.759 0.000 0.883 294 R HN 0.055 nan 8.270 nan 0.000 0.444 295 D N 0.756 121.087 120.400 -0.115 0.000 2.348 295 D HA -0.009 4.630 4.640 -0.003 0.000 0.211 295 D C -0.144 176.121 176.300 -0.057 0.000 0.998 295 D CA 0.246 54.198 54.000 -0.081 0.000 0.873 295 D CB 0.001 40.757 40.800 -0.073 0.000 0.925 295 D HN 0.278 nan 8.370 nan 0.000 0.524 296 N N 0.586 119.250 118.700 -0.060 0.000 2.725 296 N HA -0.156 4.582 4.740 -0.003 0.000 0.249 296 N C 0.716 176.191 175.510 -0.058 0.000 1.103 296 N CA 1.261 54.275 53.050 -0.061 0.000 0.707 296 N CB -1.902 36.562 38.487 -0.038 0.000 1.043 296 N HN 0.404 nan 8.380 nan 0.000 0.553 297 T N -4.839 109.677 114.554 -0.063 0.000 3.086 297 T HA 0.366 4.715 4.350 -0.003 0.000 0.250 297 T C 0.549 175.213 174.700 -0.060 0.000 1.074 297 T CA 0.131 62.200 62.100 -0.052 0.000 0.988 297 T CB 0.659 69.502 68.868 -0.042 0.000 0.988 297 T HN 0.120 nan 8.240 nan 0.000 0.530 298 S N 1.513 117.163 115.700 -0.084 0.000 2.607 298 S HA 0.639 5.107 4.470 -0.003 0.000 0.273 298 S C -1.165 173.361 174.600 -0.123 0.000 1.148 298 S CA -1.035 57.109 58.200 -0.092 0.000 0.833 298 S CB 1.913 65.049 63.200 -0.107 0.000 1.130 298 S HN 0.688 nan 8.310 nan 0.000 0.470 299 N N -0.084 118.555 118.700 -0.102 0.000 2.741 299 N HA 0.437 5.175 4.740 -0.003 0.000 0.310 299 N C 0.831 176.211 175.510 -0.217 0.000 1.295 299 N CA -0.858 52.117 53.050 -0.125 0.000 0.893 299 N CB -0.114 38.367 38.487 -0.010 0.000 1.247 299 N HN 0.331 nan 8.380 nan 0.000 0.596 300 M N -0.807 118.610 119.600 -0.305 0.000 2.260 300 M HA -0.121 4.357 4.480 -0.003 0.000 0.261 300 M C 1.167 177.143 176.300 -0.540 0.000 1.066 300 M CA 1.583 56.586 55.300 -0.494 0.000 1.082 300 M CB -1.450 30.866 32.600 -0.474 0.000 1.388 300 M HN 0.548 nan 8.290 nan 0.000 0.419 301 Y N 0.281 120.429 120.300 -0.252 0.000 2.274 301 Y HA -0.109 4.439 4.550 -0.003 0.000 0.290 301 Y C 2.583 178.361 175.900 -0.204 0.000 1.145 301 Y CA 1.431 59.408 58.100 -0.206 0.000 1.203 301 Y CB -0.997 37.384 38.460 -0.132 0.000 0.984 301 Y HN 0.302 nan 8.280 nan 0.000 0.533 302 A N -0.598 122.183 122.820 -0.064 0.000 1.969 302 A HA -0.122 4.196 4.320 -0.003 0.000 0.218 302 A C 2.111 179.599 177.584 -0.160 0.000 1.169 302 A CA 1.240 53.220 52.037 -0.095 0.000 0.635 302 A CB -0.801 18.136 19.000 -0.104 0.000 0.810 302 A HN 0.388 nan 8.150 nan 0.000 0.445 303 L N 0.040 121.090 121.223 -0.288 0.000 2.044 303 L HA -0.089 4.250 4.340 -0.003 0.000 0.205 303 L C 2.008 178.732 176.870 -0.244 0.000 1.075 303 L CA 2.490 57.124 54.840 -0.344 0.000 0.747 303 L CB -0.620 41.088 42.059 -0.585 0.000 0.903 303 L HN 0.486 nan 8.230 nan 0.000 0.435 304 D N -1.904 118.281 120.400 -0.359 0.000 2.144 304 D HA -0.203 4.435 4.640 -0.003 0.000 0.199 304 D C 2.366 178.668 176.300 0.003 0.000 0.984 304 D CA 1.297 55.217 54.000 -0.133 0.000 0.834 304 D CB 0.057 40.769 40.800 -0.147 0.000 0.955 304 D HN 0.300 nan 8.370 nan 0.000 0.465 305 S N -0.891 114.797 115.700 -0.020 0.000 2.368 305 S HA -0.172 4.296 4.470 -0.003 0.000 0.225 305 S C 1.922 176.535 174.600 0.020 0.000 1.030 305 S CA 1.300 59.507 58.200 0.012 0.000 0.999 305 S CB -0.432 62.769 63.200 0.001 0.000 0.844 305 S HN 0.333 nan 8.310 nan 0.000 0.459 306 M N 1.044 120.649 119.600 0.008 0.000 2.132 306 M HA -0.052 4.427 4.480 -0.003 0.000 0.263 306 M C 1.741 178.099 176.300 0.097 0.000 1.065 306 M CA 1.498 56.822 55.300 0.039 0.000 1.122 306 M CB -0.893 31.713 32.600 0.011 0.000 1.365 306 M HN 0.322 nan 8.290 nan 0.000 0.411 307 I N 1.523 122.162 120.570 0.116 0.000 2.163 307 I HA -0.332 3.837 4.170 -0.003 0.000 0.243 307 I C 2.058 178.253 176.117 0.130 0.000 1.085 307 I CA 1.405 62.803 61.300 0.163 0.000 1.347 307 I CB -1.911 36.203 38.000 0.188 0.000 1.044 307 I HN 0.368 nan 8.210 nan 0.000 0.408 308 N N 0.174 118.935 118.700 0.102 0.000 2.106 308 N HA -0.138 4.600 4.740 -0.003 0.000 0.188 308 N C 2.067 177.610 175.510 0.056 0.000 1.029 308 N CA 1.491 54.589 53.050 0.081 0.000 0.848 308 N CB -0.395 38.134 38.487 0.071 0.000 1.007 308 N HN 0.241 nan 8.380 nan 0.000 0.423 309 S N 0.502 116.227 115.700 0.042 0.000 2.356 309 S HA -0.129 4.339 4.470 -0.003 0.000 0.223 309 S C 2.066 176.659 174.600 -0.013 0.000 1.032 309 S CA 2.188 60.392 58.200 0.007 0.000 1.005 309 S CB -0.551 62.649 63.200 -0.001 0.000 0.867 309 S HN 0.615 nan 8.310 nan 0.000 0.449 310 T N -0.104 114.475 114.554 0.043 0.000 2.821 310 T HA 0.139 4.488 4.350 -0.003 0.000 0.267 310 T C 1.922 176.689 174.700 0.111 0.000 1.046 310 T CA 1.205 63.348 62.100 0.071 0.000 1.139 310 T CB -0.807 68.224 68.868 0.273 0.000 0.871 310 T HN 0.416 nan 8.240 nan 0.000 0.454 311 A N 1.463 124.352 122.820 0.114 0.000 2.019 311 A HA -0.003 4.315 4.320 -0.003 0.000 0.219 311 A C 2.508 180.128 177.584 0.060 0.000 1.164 311 A CA 1.841 53.943 52.037 0.109 0.000 0.644 311 A CB -1.148 17.911 19.000 0.099 0.000 0.805 311 A HN 0.575 nan 8.150 nan 0.000 0.449 312 T N -0.414 114.150 114.554 0.017 0.000 2.976 312 T HA -0.037 4.311 4.350 -0.003 0.000 0.257 312 T C 1.348 176.015 174.700 -0.055 0.000 1.051 312 T CA 1.100 63.194 62.100 -0.011 0.000 1.141 312 T CB -0.201 68.657 68.868 -0.016 0.000 0.881 312 T HN 0.413 nan 8.240 nan 0.000 0.461 313 D N 0.245 120.560 120.400 -0.141 0.000 2.103 313 D HA 0.019 4.657 4.640 -0.003 0.000 0.199 313 D C 0.012 176.169 176.300 -0.238 0.000 0.978 313 D CA 0.898 54.737 54.000 -0.269 0.000 0.829 313 D CB -0.168 40.331 40.800 -0.501 0.000 0.981 313 D HN 0.349 nan 8.370 nan 0.000 0.464 314 Y N 1.641 121.956 120.300 0.024 0.000 2.316 314 Y HA 0.152 4.700 4.550 -0.003 0.000 0.331 314 Y C 1.532 177.442 175.900 0.016 0.000 1.083 314 Y CA -0.747 57.369 58.100 0.026 0.000 1.206 314 Y CB 0.444 38.931 38.460 0.046 0.000 1.195 314 Y HN -0.215 nan 8.280 nan 0.000 0.497 315 N N 1.591 120.394 118.700 0.172 0.000 2.084 315 N HA -0.149 4.589 4.740 -0.003 0.000 0.190 315 N C -0.132 175.412 175.510 0.057 0.000 1.030 315 N CA 1.304 54.399 53.050 0.075 0.000 0.849 315 N CB -0.032 38.485 38.487 0.051 0.000 1.012 315 N HN 0.639 nan 8.380 nan 0.000 0.423 316 Q N -0.102 119.760 119.800 0.104 0.000 2.607 316 Q HA 0.252 4.591 4.340 -0.003 0.000 0.247 316 Q C 0.499 176.580 176.000 0.135 0.000 1.033 316 Q CA -0.136 55.729 55.803 0.104 0.000 0.769 316 Q CB 1.933 30.760 28.738 0.148 0.000 1.169 316 Q HN -0.085 nan 8.270 nan 0.000 0.508 317 V N 2.122 122.123 119.914 0.145 0.000 2.720 317 V HA -0.215 3.903 4.120 -0.003 0.000 0.256 317 V C 0.878 177.023 176.094 0.084 0.000 1.082 317 V CA 1.729 64.115 62.300 0.142 0.000 1.101 317 V CB 0.063 31.993 31.823 0.178 0.000 0.693 317 V HN 0.727 nan 8.190 nan 0.000 0.479 318 N N 0.463 119.237 118.700 0.122 0.000 2.550 318 N HA -0.058 4.680 4.740 -0.003 0.000 0.186 318 N C 1.018 176.589 175.510 0.103 0.000 1.110 318 N CA 0.993 54.106 53.050 0.106 0.000 0.912 318 N CB -0.149 38.455 38.487 0.196 0.000 0.968 318 N HN 0.550 nan 8.380 nan 0.000 0.448 319 D N 0.053 120.548 120.400 0.159 0.000 2.349 319 D HA 0.027 4.666 4.640 -0.003 0.000 0.214 319 D C 0.061 176.453 176.300 0.152 0.000 1.063 319 D CA 0.241 54.390 54.000 0.249 0.000 0.847 319 D CB 0.370 41.388 40.800 0.363 0.000 0.933 319 D HN 0.112 nan 8.370 nan 0.000 0.513 320 Q N 0.766 120.560 119.800 -0.010 0.000 2.288 320 Q HA 0.222 4.561 4.340 -0.003 0.000 0.254 320 Q C -0.010 175.916 176.000 -0.124 0.000 0.932 320 Q CA -0.304 55.439 55.803 -0.101 0.000 0.902 320 Q CB 1.954 30.567 28.738 -0.207 0.000 1.203 320 Q HN -0.108 nan 8.270 nan 0.000 0.415 321 V N 3.411 123.246 119.914 -0.132 0.000 2.408 321 V HA 0.212 4.331 4.120 -0.003 0.000 0.267 321 V C 0.640 176.729 176.094 -0.008 0.000 1.047 321 V CA -0.421 61.775 62.300 -0.173 0.000 0.937 321 V CB 0.605 32.170 31.823 -0.430 0.000 0.999 321 V HN 0.870 nan 8.190 nan 0.000 0.472 322 T N 2.907 117.387 114.554 -0.124 0.000 2.928 322 T HA 0.863 5.211 4.350 -0.003 0.000 0.284 322 T C -0.675 174.127 174.700 0.171 0.000 1.008 322 T CA -0.501 61.469 62.100 -0.217 0.000 1.057 322 T CB 1.570 69.879 68.868 -0.931 0.000 1.018 322 T HN 0.687 nan 8.240 nan 0.000 0.493 323 F N -0.620 119.346 119.950 0.027 0.000 2.770 323 F HA 0.498 5.023 4.527 -0.003 0.000 0.313 323 F C 0.187 176.112 175.800 0.207 0.000 1.154 323 F CA -1.532 56.531 58.000 0.105 0.000 0.923 323 F CB 0.565 39.611 39.000 0.077 0.000 1.301 323 F HN 0.584 nan 8.300 nan 0.000 0.449 324 I N -1.258 119.474 120.570 0.269 0.000 3.645 324 I HA 0.390 4.559 4.170 -0.003 0.000 0.300 324 I C -0.701 175.655 176.117 0.398 0.000 1.260 324 I CA 0.345 61.788 61.300 0.237 0.000 1.365 324 I CB 0.218 38.236 38.000 0.029 0.000 1.077 324 I HN 0.657 nan 8.210 nan 0.000 0.439 325 D N 0.602 121.295 120.400 0.488 0.000 2.755 325 D HA 0.332 4.970 4.640 -0.003 0.000 0.277 325 D C -1.170 175.274 176.300 0.239 0.000 1.261 325 D CA -0.684 53.575 54.000 0.431 0.000 0.759 325 D CB 0.693 41.712 40.800 0.365 0.000 1.279 325 D HN 0.327 nan 8.370 nan 0.000 0.420 326 N N -2.509 116.138 118.700 -0.089 0.000 3.378 326 N HA 0.153 4.892 4.740 -0.003 0.000 0.294 326 N C 0.621 175.704 175.510 -0.712 0.000 1.544 326 N CA -0.446 52.174 53.050 -0.717 0.000 0.872 326 N CB -0.190 37.996 38.487 -0.502 0.000 1.670 326 N HN 0.562 nan 8.380 nan 0.000 0.551 327 H N -1.748 116.893 119.070 -0.715 0.000 2.561 327 H HA 0.137 4.692 4.556 -0.003 0.000 0.278 327 H C -0.635 174.679 175.328 -0.023 0.000 1.014 327 H CA 0.875 56.791 56.048 -0.220 0.000 1.211 327 H CB -0.280 29.507 29.762 0.042 0.000 1.365 327 H HN 0.506 nan 8.280 nan 0.000 0.594 328 D N 0.703 120.860 120.400 -0.405 0.000 2.349 328 D HA 0.134 4.772 4.640 -0.003 0.000 0.214 328 D C 1.160 177.467 176.300 0.012 0.000 1.063 328 D CA 0.242 54.135 54.000 -0.178 0.000 0.847 328 D CB 0.587 41.325 40.800 -0.103 0.000 0.933 328 D HN 0.594 nan 8.370 nan 0.000 0.513 329 M N -1.699 117.930 119.600 0.049 0.000 2.843 329 M HA 0.430 4.909 4.480 -0.003 0.000 0.273 329 M C -1.552 174.806 176.300 0.097 0.000 1.286 329 M CA -0.959 54.410 55.300 0.114 0.000 0.807 329 M CB 1.758 34.490 32.600 0.220 0.000 1.684 329 M HN -0.455 nan 8.290 nan 0.000 0.458 330 D N 2.235 122.692 120.400 0.095 0.000 2.399 330 D HA 0.225 4.863 4.640 -0.003 0.000 0.241 330 D C -0.160 176.213 176.300 0.122 0.000 1.133 330 D CA 0.092 54.142 54.000 0.084 0.000 0.890 330 D CB 0.630 41.461 40.800 0.052 0.000 1.201 330 D HN 0.326 nan 8.370 nan 0.000 0.432 331 R N 1.389 121.967 120.500 0.130 0.000 2.640 331 R HA -0.045 4.294 4.340 -0.003 0.000 0.270 331 R C 1.167 177.583 176.300 0.193 0.000 1.024 331 R CA -0.055 56.155 56.100 0.183 0.000 1.085 331 R CB -0.052 30.331 30.300 0.137 0.000 0.963 331 R HN 0.521 nan 8.270 nan 0.000 0.426 332 F N 2.056 122.078 119.950 0.120 0.000 2.095 332 F HA -0.208 4.318 4.527 -0.003 0.000 0.298 332 F C 1.111 176.974 175.800 0.104 0.000 1.104 332 F CA 1.595 59.663 58.000 0.114 0.000 1.232 332 F CB 0.001 39.072 39.000 0.118 0.000 0.987 332 F HN 0.271 nan 8.300 nan 0.000 0.475 333 K N 1.216 121.829 120.400 0.355 0.000 2.379 333 K HA 0.246 4.564 4.320 -0.003 0.000 0.284 333 K C -0.938 175.737 176.600 0.125 0.000 1.044 333 K CA 0.250 56.692 56.287 0.257 0.000 0.974 333 K CB 0.628 33.295 32.500 0.279 0.000 0.962 333 K HN 0.108 nan 8.250 nan 0.000 0.474 334 T N 1.849 116.452 114.554 0.081 0.000 2.864 334 T HA 0.158 4.506 4.350 -0.003 0.000 0.299 334 T C 0.821 175.544 174.700 0.039 0.000 1.166 334 T CA -0.221 61.903 62.100 0.040 0.000 1.007 334 T CB 1.417 70.287 68.868 0.003 0.000 1.219 334 T HN 0.609 nan 8.240 nan 0.000 0.506 335 S N 0.819 116.534 115.700 0.024 0.000 2.400 335 S HA -0.117 4.352 4.470 -0.003 0.000 0.232 335 S C 2.054 176.663 174.600 0.016 0.000 1.025 335 S CA 1.079 59.290 58.200 0.018 0.000 0.993 335 S CB -0.503 62.703 63.200 0.010 0.000 0.808 335 S HN 0.789 nan 8.310 nan 0.000 0.478 336 A N 0.715 123.542 122.820 0.011 0.000 2.208 336 A HA 0.479 4.797 4.320 -0.003 0.000 0.209 336 A C 0.737 178.331 177.584 0.017 0.000 1.161 336 A CA 0.076 52.118 52.037 0.009 0.000 0.782 336 A CB -0.161 18.838 19.000 -0.002 0.000 0.816 336 A HN 0.392 nan 8.150 nan 0.000 0.477 337 V N 2.561 122.492 119.914 0.029 0.000 2.370 337 V HA 0.135 4.253 4.120 -0.003 0.000 0.279 337 V C -0.256 175.897 176.094 0.098 0.000 1.029 337 V CA -1.141 61.194 62.300 0.058 0.000 0.870 337 V CB 1.000 32.849 31.823 0.044 0.000 0.984 337 V HN 0.445 nan 8.190 nan 0.000 0.451 338 N N 3.879 122.644 118.700 0.108 0.000 2.453 338 N HA 0.074 4.813 4.740 -0.003 0.000 0.253 338 N C 0.565 176.158 175.510 0.139 0.000 1.252 338 N CA -0.351 52.757 53.050 0.097 0.000 0.917 338 N CB 0.725 39.267 38.487 0.092 0.000 1.117 338 N HN 0.537 nan 8.380 nan 0.000 0.442 339 N N 1.331 120.074 118.700 0.071 0.000 2.120 339 N HA -0.146 4.592 4.740 -0.003 0.000 0.188 339 N C 1.674 177.291 175.510 0.179 0.000 1.024 339 N CA 0.984 54.089 53.050 0.091 0.000 0.852 339 N CB -0.178 38.224 38.487 -0.141 0.000 1.003 339 N HN 0.477 nan 8.380 nan 0.000 0.424 340 R N 1.307 121.881 120.500 0.123 0.000 2.105 340 R HA 0.064 4.402 4.340 -0.003 0.000 0.239 340 R C 1.686 178.069 176.300 0.138 0.000 1.135 340 R CA 1.212 57.385 56.100 0.120 0.000 0.967 340 R CB -0.168 30.191 30.300 0.099 0.000 0.861 340 R HN 0.075 nan 8.270 nan 0.000 0.442 341 R N 0.250 120.866 120.500 0.194 0.000 2.092 341 R HA -0.059 4.280 4.340 -0.003 0.000 0.231 341 R C 1.964 178.387 176.300 0.205 0.000 1.119 341 R CA 0.865 57.128 56.100 0.272 0.000 0.970 341 R CB -1.107 29.407 30.300 0.356 0.000 0.864 341 R HN 0.279 nan 8.270 nan 0.000 0.440 342 L N 1.810 123.160 121.223 0.212 0.000 2.027 342 L HA -0.128 4.211 4.340 -0.003 0.000 0.206 342 L C 1.526 178.289 176.870 -0.179 0.000 1.074 342 L CA 1.938 56.736 54.840 -0.071 0.000 0.745 342 L CB -0.860 41.314 42.059 0.192 0.000 0.898 342 L HN 0.144 nan 8.230 nan 0.000 0.433 343 E N -0.523 119.674 120.200 -0.005 0.000 2.110 343 E HA -0.255 4.094 4.350 -0.003 0.000 0.193 343 E C 2.149 178.687 176.600 -0.104 0.000 0.988 343 E CA 1.418 57.803 56.400 -0.025 0.000 0.804 343 E CB -0.085 29.657 29.700 0.069 0.000 0.745 343 E HN 0.633 nan 8.360 nan 0.000 0.458 344 Q N 0.045 119.765 119.800 -0.135 0.000 2.123 344 Q HA -0.078 4.261 4.340 -0.003 0.000 0.199 344 Q C 2.275 177.949 176.000 -0.544 0.000 0.966 344 Q CA 1.095 56.753 55.803 -0.242 0.000 0.845 344 Q CB -0.098 28.549 28.738 -0.152 0.000 0.907 344 Q HN 0.253 nan 8.270 nan 0.000 0.439 345 A N 0.874 123.271 122.820 -0.706 0.000 1.933 345 A HA -0.148 4.170 4.320 -0.003 0.000 0.218 345 A C 2.036 179.447 177.584 -0.288 0.000 1.175 345 A CA 0.987 52.599 52.037 -0.709 0.000 0.628 345 A CB -0.559 18.017 19.000 -0.705 0.000 0.814 345 A HN 0.264 nan 8.150 nan 0.000 0.444 346 L N -0.953 120.117 121.223 -0.254 0.000 2.005 346 L HA -0.176 4.163 4.340 -0.003 0.000 0.207 346 L C 3.164 180.001 176.870 -0.054 0.000 1.072 346 L CA 1.094 55.858 54.840 -0.127 0.000 0.744 346 L CB -0.622 41.359 42.059 -0.130 0.000 0.895 346 L HN 0.439 nan 8.230 nan 0.000 0.433 347 A N -0.140 122.645 122.820 -0.059 0.000 1.908 347 A HA -0.302 4.016 4.320 -0.003 0.000 0.218 347 A C 2.166 179.789 177.584 0.065 0.000 1.181 347 A CA 1.844 53.872 52.037 -0.016 0.000 0.627 347 A CB -0.927 18.059 19.000 -0.023 0.000 0.818 347 A HN 0.409 nan 8.150 nan 0.000 0.445 348 F N 1.320 121.248 119.950 -0.037 0.000 2.075 348 F HA -0.168 4.357 4.527 -0.003 0.000 0.297 348 F C 2.544 178.446 175.800 0.169 0.000 1.113 348 F CA 2.410 60.476 58.000 0.110 0.000 1.218 348 F CB -0.807 38.210 39.000 0.030 0.000 0.984 348 F HN 0.215 nan 8.300 nan 0.000 0.472 349 T N 1.544 116.204 114.554 0.177 0.000 2.720 349 T HA -0.195 4.153 4.350 -0.003 0.000 0.268 349 T C 2.129 176.798 174.700 -0.050 0.000 1.037 349 T CA 1.837 64.025 62.100 0.147 0.000 1.144 349 T CB -0.595 68.391 68.868 0.197 0.000 0.864 349 T HN 0.251 nan 8.240 nan 0.000 0.444 350 L N 1.227 122.425 121.223 -0.043 0.000 2.275 350 L HA -0.042 4.296 4.340 -0.003 0.000 0.215 350 L C 2.609 179.422 176.870 -0.096 0.000 1.119 350 L CA 1.302 56.097 54.840 -0.074 0.000 0.790 350 L CB -0.715 41.307 42.059 -0.062 0.000 0.919 350 L HN 0.443 nan 8.230 nan 0.000 0.443 351 T N -5.824 108.680 114.554 -0.084 0.000 3.054 351 T HA 0.188 4.537 4.350 -0.003 0.000 0.255 351 T C 0.825 175.492 174.700 -0.055 0.000 1.035 351 T CA -0.276 61.789 62.100 -0.057 0.000 0.941 351 T CB 0.305 69.168 68.868 -0.007 0.000 1.026 351 T HN -0.003 nan 8.240 nan 0.000 0.533 352 S N 2.227 117.816 115.700 -0.184 0.000 2.707 352 S HA 0.575 5.044 4.470 -0.003 0.000 0.276 352 S C 0.444 174.936 174.600 -0.181 0.000 1.179 352 S CA -1.060 56.995 58.200 -0.242 0.000 0.992 352 S CB 0.860 63.807 63.200 -0.421 0.000 1.030 352 S HN 0.598 nan 8.310 nan 0.000 0.554 353 R N 0.664 121.086 120.500 -0.131 0.000 2.738 353 R HA 0.538 4.876 4.340 -0.003 0.000 0.268 353 R C 0.519 176.707 176.300 -0.188 0.000 1.062 353 R CA 0.562 56.598 56.100 -0.107 0.000 1.158 353 R CB -1.296 28.994 30.300 -0.017 0.000 1.046 353 R HN 0.981 nan 8.270 nan 0.000 0.493 354 G N -0.232 108.477 108.800 -0.152 0.000 2.610 354 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.304 354 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.304 354 G C -1.410 173.361 174.900 -0.214 0.000 1.309 354 G CA -0.357 44.635 45.100 -0.180 0.000 0.906 354 G HN 0.649 nan 8.290 nan 0.000 0.521 355 V N 2.968 122.751 119.914 -0.218 0.000 2.311 355 V HA 0.520 4.638 4.120 -0.003 0.000 0.275 355 V C -1.613 174.373 176.094 -0.181 0.000 1.022 355 V CA -0.890 61.277 62.300 -0.221 0.000 0.830 355 V CB 1.480 33.137 31.823 -0.276 0.000 1.012 355 V HN 0.707 nan 8.190 nan 0.000 0.452 356 P HA 0.432 nan 4.420 nan 0.000 0.276 356 P C -0.739 176.579 177.300 0.029 0.000 1.230 356 P CA -0.068 62.986 63.100 -0.076 0.000 0.776 356 P CB 1.728 33.378 31.700 -0.084 0.000 0.888 357 A N 4.325 127.216 122.820 0.119 0.000 2.371 357 A HA 0.730 5.048 4.320 -0.003 0.000 0.311 357 A C -0.561 177.151 177.584 0.214 0.000 1.068 357 A CA -0.873 51.294 52.037 0.217 0.000 0.744 357 A CB 0.983 20.185 19.000 0.337 0.000 1.239 357 A HN 0.468 nan 8.150 nan 0.000 0.435 358 I N 2.137 122.814 120.570 0.179 0.000 2.406 358 I HA 0.213 4.381 4.170 -0.003 0.000 0.290 358 I C -1.007 175.131 176.117 0.035 0.000 0.999 358 I CA -0.713 60.662 61.300 0.124 0.000 1.124 358 I CB 1.536 39.613 38.000 0.128 0.000 1.289 358 I HN 0.713 nan 8.210 nan 0.000 0.441 359 Y N 8.281 128.530 120.300 -0.084 0.000 2.465 359 Y HA 0.092 4.640 4.550 -0.003 0.000 0.331 359 Y C 0.073 175.808 175.900 -0.275 0.000 1.102 359 Y CA -1.147 56.862 58.100 -0.151 0.000 1.358 359 Y CB 0.081 38.501 38.460 -0.066 0.000 1.213 359 Y HN 0.441 nan 8.280 nan 0.000 0.525 360 Y N 3.822 123.777 120.300 -0.576 0.000 2.987 360 Y HA 0.282 4.830 4.550 -0.003 0.000 0.339 360 Y C 1.084 176.858 175.900 -0.210 0.000 1.272 360 Y CA -0.125 57.690 58.100 -0.475 0.000 1.562 360 Y CB -0.118 38.239 38.460 -0.171 0.000 1.253 360 Y HN 0.903 nan 8.280 nan 0.000 0.604 361 G N 2.095 110.891 108.800 -0.007 0.000 2.195 361 G HA2 -0.351 3.608 3.960 -0.003 0.000 0.246 361 G HA3 -0.351 3.608 3.960 -0.003 0.000 0.246 361 G C 0.835 175.673 174.900 -0.104 0.000 0.984 361 G CA 0.352 45.388 45.100 -0.107 0.000 0.633 361 G HN 0.853 nan 8.290 nan 0.000 0.525 362 T N 1.641 116.136 114.554 -0.098 0.000 2.833 362 T HA -0.071 4.277 4.350 -0.003 0.000 0.269 362 T C 2.132 176.724 174.700 -0.180 0.000 1.054 362 T CA 1.797 63.839 62.100 -0.096 0.000 1.135 362 T CB -0.220 68.620 68.868 -0.046 0.000 0.869 362 T HN 0.786 nan 8.240 nan 0.000 0.466 363 E N 0.993 121.158 120.200 -0.058 0.000 2.418 363 E HA -0.117 4.232 4.350 -0.003 0.000 0.197 363 E C 1.206 177.746 176.600 -0.100 0.000 1.026 363 E CA 0.768 57.125 56.400 -0.072 0.000 0.862 363 E CB -0.059 29.726 29.700 0.141 0.000 0.799 363 E HN 0.404 nan 8.360 nan 0.000 0.518 364 Q N -0.173 119.594 119.800 -0.055 0.000 2.194 364 Q HA 0.080 4.418 4.340 -0.003 0.000 0.214 364 Q C -0.558 175.530 176.000 0.146 0.000 0.838 364 Q CA -0.443 55.396 55.803 0.060 0.000 0.972 364 Q CB -0.137 28.640 28.738 0.064 0.000 1.131 364 Q HN 0.326 nan 8.270 nan 0.000 0.498 365 Y N -0.408 119.926 120.300 0.056 0.000 3.389 365 Y HA -0.268 4.281 4.550 -0.003 0.000 0.213 365 Y C 0.249 176.164 175.900 0.026 0.000 1.272 365 Y CA -0.084 58.046 58.100 0.051 0.000 1.444 365 Y CB -2.283 36.211 38.460 0.056 0.000 1.445 365 Y HN 0.212 nan 8.280 nan 0.000 0.583 366 L N 1.335 122.600 121.223 0.069 0.000 2.490 366 L HA 0.129 4.467 4.340 -0.003 0.000 0.274 366 L C 1.122 178.015 176.870 0.038 0.000 1.201 366 L CA 0.840 55.685 54.840 0.008 0.000 0.869 366 L CB 0.697 42.683 42.059 -0.122 0.000 1.123 366 L HN 0.490 nan 8.230 nan 0.000 0.484 367 T N 0.107 114.682 114.554 0.035 0.000 2.937 367 T HA 0.838 5.187 4.350 -0.003 0.000 0.283 367 T C -0.035 174.679 174.700 0.024 0.000 1.012 367 T CA -0.283 61.846 62.100 0.047 0.000 0.997 367 T CB 2.006 70.902 68.868 0.046 0.000 1.136 367 T HN 0.919 nan 8.240 nan 0.000 0.551 368 G N 0.770 109.591 108.800 0.034 0.000 2.163 368 G HA2 0.163 4.122 3.960 -0.003 0.000 0.191 368 G HA3 0.163 4.122 3.960 -0.003 0.000 0.191 368 G C -1.461 173.464 174.900 0.041 0.000 1.517 368 G CA -1.176 43.940 45.100 0.027 0.000 1.024 368 G HN 0.911 nan 8.290 nan 0.000 0.664 369 N N 1.018 119.736 118.700 0.030 0.000 2.421 369 N HA 0.681 5.420 4.740 -0.003 0.000 0.285 369 N C 0.674 176.199 175.510 0.025 0.000 1.027 369 N CA 0.366 53.435 53.050 0.030 0.000 0.918 369 N CB 1.849 40.347 38.487 0.019 0.000 1.152 369 N HN 1.597 nan 8.380 nan 0.000 0.485 370 G N 1.581 110.398 108.800 0.029 0.000 2.860 370 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.553 370 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.553 370 G C -0.908 174.007 174.900 0.025 0.000 1.439 370 G CA -0.717 44.394 45.100 0.017 0.000 0.879 370 G HN 0.657 nan 8.290 nan 0.000 0.545 371 D N 0.552 120.962 120.400 0.017 0.000 2.312 371 D HA 0.501 5.140 4.640 -0.003 0.000 0.252 371 D C -0.116 176.206 176.300 0.037 0.000 1.150 371 D CA -1.464 52.560 54.000 0.040 0.000 0.870 371 D CB 1.235 42.050 40.800 0.024 0.000 1.153 371 D HN 0.217 nan 8.370 nan 0.000 0.457 372 P HA 0.165 nan 4.420 nan 0.000 0.267 372 P C 0.124 177.440 177.300 0.027 0.000 1.289 372 P CA -0.106 63.036 63.100 0.070 0.000 0.866 372 P CB 0.701 32.444 31.700 0.072 0.000 1.309 373 D N 1.748 122.159 120.400 0.017 0.000 2.228 373 D HA -0.153 4.486 4.640 -0.003 0.000 0.203 373 D C 1.405 177.713 176.300 0.013 0.000 0.988 373 D CA 1.161 55.165 54.000 0.007 0.000 0.864 373 D CB -0.512 40.292 40.800 0.008 0.000 0.928 373 D HN 0.354 nan 8.370 nan 0.000 0.469 374 N N -0.053 118.670 118.700 0.039 0.000 2.449 374 N HA -0.051 4.688 4.740 -0.003 0.000 0.191 374 N C 0.283 175.831 175.510 0.063 0.000 1.161 374 N CA 0.175 53.268 53.050 0.073 0.000 0.863 374 N CB 0.051 38.616 38.487 0.129 0.000 0.980 374 N HN -0.014 nan 8.380 nan 0.000 0.458 375 R N 0.105 120.609 120.500 0.006 0.000 2.816 375 R HA 0.454 4.793 4.340 -0.003 0.000 0.382 375 R C -0.221 176.097 176.300 0.030 0.000 1.140 375 R CA -0.244 55.836 56.100 -0.035 0.000 1.050 375 R CB 0.699 30.893 30.300 -0.177 0.000 1.396 375 R HN 0.221 nan 8.270 nan 0.000 0.583 376 A N 0.812 123.638 122.820 0.010 0.000 2.386 376 A HA 0.165 4.484 4.320 -0.003 0.000 0.246 376 A C 0.069 177.715 177.584 0.103 0.000 1.089 376 A CA -0.230 51.815 52.037 0.014 0.000 0.790 376 A CB 0.334 19.319 19.000 -0.025 0.000 1.042 376 A HN 0.290 nan 8.150 nan 0.000 0.497 377 K N 0.922 121.354 120.400 0.054 0.000 2.355 377 K HA 0.089 4.407 4.320 -0.003 0.000 0.270 377 K C -0.163 176.470 176.600 0.055 0.000 1.003 377 K CA -0.309 56.019 56.287 0.068 0.000 0.957 377 K CB 0.184 32.684 32.500 0.001 0.000 0.939 377 K HN 0.661 nan 8.250 nan 0.000 0.482 378 M N 6.428 126.054 119.600 0.044 0.000 2.427 378 M HA 0.010 4.489 4.480 -0.003 0.000 0.345 378 M C -1.361 174.766 176.300 -0.288 0.000 1.653 378 M CA -1.587 53.640 55.300 -0.123 0.000 1.138 378 M CB 0.476 32.840 32.600 -0.393 0.000 1.995 378 M HN 0.537 nan 8.290 nan 0.000 0.459 379 P HA -0.056 nan 4.420 nan 0.000 0.218 379 P C 0.162 177.305 177.300 -0.262 0.000 1.149 379 P CA 0.787 63.774 63.100 -0.187 0.000 0.817 379 P CB 0.433 32.070 31.700 -0.105 0.000 0.785 380 S N -2.196 113.256 115.700 -0.414 0.000 2.615 380 S HA 0.461 4.929 4.470 -0.003 0.000 0.268 380 S C -1.325 172.885 174.600 -0.650 0.000 1.146 380 S CA -0.737 57.214 58.200 -0.416 0.000 0.818 380 S CB 0.057 63.167 63.200 -0.150 0.000 1.111 380 S HN -0.162 nan 8.310 nan 0.000 0.465 381 F N 1.920 121.782 119.950 -0.147 0.000 2.850 381 F HA 0.461 4.987 4.527 -0.003 0.000 0.329 381 F C 1.137 176.946 175.800 0.016 0.000 1.182 381 F CA -0.343 57.522 58.000 -0.225 0.000 1.270 381 F CB 0.791 39.506 39.000 -0.476 0.000 0.979 381 F HN 0.593 nan 8.300 nan 0.000 0.506 382 S N 0.948 116.719 115.700 0.118 0.000 2.562 382 S HA 0.130 4.598 4.470 -0.003 0.000 0.281 382 S C 0.977 175.503 174.600 -0.123 0.000 1.333 382 S CA -0.127 58.088 58.200 0.024 0.000 1.052 382 S CB 0.660 63.866 63.200 0.009 0.000 0.884 382 S HN 0.498 nan 8.310 nan 0.000 0.506 383 K N 2.351 122.523 120.400 -0.380 0.000 2.455 383 K HA 0.156 4.475 4.320 -0.003 0.000 0.206 383 K C 0.896 177.088 176.600 -0.679 0.000 1.027 383 K CA 0.033 55.645 56.287 -1.126 0.000 1.113 383 K CB 0.459 32.402 32.500 -0.928 0.000 0.850 383 K HN 0.632 nan 8.250 nan 0.000 0.503 384 S N 0.078 115.612 115.700 -0.276 0.000 2.535 384 S HA -0.044 4.425 4.470 -0.003 0.000 0.214 384 S C 1.094 175.708 174.600 0.023 0.000 0.980 384 S CA -0.366 57.776 58.200 -0.097 0.000 0.907 384 S CB -0.219 62.951 63.200 -0.050 0.000 0.790 384 S HN 0.341 nan 8.310 nan 0.000 0.510 385 T N 0.593 115.202 114.554 0.092 0.000 2.856 385 T HA 0.162 4.511 4.350 -0.003 0.000 0.306 385 T C 1.235 176.079 174.700 0.240 0.000 1.062 385 T CA 0.115 62.353 62.100 0.230 0.000 1.083 385 T CB 0.488 69.567 68.868 0.352 0.000 0.984 385 T HN 0.094 nan 8.240 nan 0.000 0.542 386 T N 1.847 116.561 114.554 0.267 0.000 2.788 386 T HA -0.017 4.332 4.350 -0.003 0.000 0.268 386 T C 2.418 177.231 174.700 0.188 0.000 1.044 386 T CA 1.211 63.436 62.100 0.208 0.000 1.139 386 T CB -0.750 68.235 68.868 0.196 0.000 0.867 386 T HN 0.821 nan 8.240 nan 0.000 0.454 387 A N 1.045 123.979 122.820 0.190 0.000 1.902 387 A HA -0.038 4.280 4.320 -0.003 0.000 0.217 387 A C 1.993 179.596 177.584 0.032 0.000 1.181 387 A CA 1.261 53.299 52.037 0.002 0.000 0.623 387 A CB -0.984 17.807 19.000 -0.347 0.000 0.818 387 A HN 0.463 nan 8.150 nan 0.000 0.443 388 F N 1.014 120.944 119.950 -0.033 0.000 2.134 388 F HA -0.199 4.326 4.527 -0.003 0.000 0.299 388 F C 1.977 177.767 175.800 -0.018 0.000 1.097 388 F CA 1.968 59.957 58.000 -0.020 0.000 1.264 388 F CB -0.512 38.492 39.000 0.006 0.000 1.001 388 F HN 0.338 nan 8.300 nan 0.000 0.479 389 N N -0.418 118.456 118.700 0.289 0.000 2.084 389 N HA -0.183 4.555 4.740 -0.003 0.000 0.190 389 N C 1.813 177.359 175.510 0.060 0.000 1.030 389 N CA 1.769 54.927 53.050 0.179 0.000 0.849 389 N CB -0.212 38.358 38.487 0.138 0.000 1.012 389 N HN 0.142 nan 8.380 nan 0.000 0.423 390 V N 0.947 120.880 119.914 0.032 0.000 2.332 390 V HA -0.231 3.888 4.120 -0.003 0.000 0.248 390 V C 2.044 178.106 176.094 -0.054 0.000 1.055 390 V CA 1.496 63.788 62.300 -0.013 0.000 1.038 390 V CB -0.506 31.308 31.823 -0.016 0.000 0.651 390 V HN 0.358 nan 8.190 nan 0.000 0.450 391 I N 1.050 121.565 120.570 -0.091 0.000 2.252 391 I HA -0.214 3.954 4.170 -0.003 0.000 0.245 391 I C 2.676 178.706 176.117 -0.145 0.000 1.102 391 I CA 1.808 63.028 61.300 -0.133 0.000 1.385 391 I CB -0.574 37.309 38.000 -0.195 0.000 1.064 391 I HN 0.484 nan 8.210 nan 0.000 0.414 392 S N 0.643 116.245 115.700 -0.163 0.000 2.423 392 S HA -0.152 4.317 4.470 -0.003 0.000 0.231 392 S C 1.921 176.486 174.600 -0.060 0.000 1.014 392 S CA 0.887 59.017 58.200 -0.117 0.000 0.965 392 S CB -0.277 62.891 63.200 -0.053 0.000 0.785 392 S HN 0.421 nan 8.310 nan 0.000 0.495 393 K N 0.364 120.737 120.400 -0.045 0.000 2.211 393 K HA 0.326 4.645 4.320 -0.003 0.000 0.201 393 K C 1.868 178.434 176.600 -0.056 0.000 1.052 393 K CA 0.599 56.863 56.287 -0.038 0.000 0.973 393 K CB -0.094 32.392 32.500 -0.025 0.000 0.766 393 K HN 0.357 nan 8.250 nan 0.000 0.466 394 L N -0.143 121.040 121.223 -0.067 0.000 2.298 394 L HA 0.100 4.438 4.340 -0.003 0.000 0.209 394 L C 2.434 179.253 176.870 -0.084 0.000 1.084 394 L CA 0.350 55.145 54.840 -0.077 0.000 0.816 394 L CB -0.346 41.667 42.059 -0.076 0.000 0.967 394 L HN 0.089 nan 8.230 nan 0.000 0.460 395 A N 1.320 124.088 122.820 -0.087 0.000 1.892 395 A HA -0.148 4.170 4.320 -0.003 0.000 0.218 395 A C -0.133 177.392 177.584 -0.098 0.000 1.188 395 A CA 1.801 53.783 52.037 -0.092 0.000 0.631 395 A CB -1.828 17.117 19.000 -0.091 0.000 0.822 395 A HN 0.254 nan 8.150 nan 0.000 0.447 396 P HA -0.103 nan 4.420 nan 0.000 0.221 396 P C 1.161 178.404 177.300 -0.094 0.000 1.145 396 P CA 0.578 63.627 63.100 -0.085 0.000 0.795 396 P CB -0.038 31.622 31.700 -0.067 0.000 0.775 397 L N -0.815 120.351 121.223 -0.094 0.000 2.191 397 L HA -0.104 4.234 4.340 -0.003 0.000 0.212 397 L C 2.277 179.069 176.870 -0.130 0.000 1.103 397 L CA 1.636 56.417 54.840 -0.098 0.000 0.769 397 L CB -0.760 41.245 42.059 -0.090 0.000 0.908 397 L HN -0.078 nan 8.230 nan 0.000 0.438 398 R N -0.989 119.419 120.500 -0.152 0.000 2.148 398 R HA -0.077 4.262 4.340 -0.003 0.000 0.223 398 R C 1.848 178.007 176.300 -0.235 0.000 1.088 398 R CA 0.624 56.598 56.100 -0.210 0.000 0.985 398 R CB -0.084 30.088 30.300 -0.213 0.000 0.880 398 R HN 0.285 nan 8.270 nan 0.000 0.451 399 K N 0.155 120.448 120.400 -0.179 0.000 2.128 399 K HA 0.023 4.341 4.320 -0.003 0.000 0.202 399 K C 2.167 178.688 176.600 -0.131 0.000 1.050 399 K CA 1.361 57.551 56.287 -0.162 0.000 0.966 399 K CB 0.008 32.430 32.500 -0.131 0.000 0.759 399 K HN 0.131 nan 8.250 nan 0.000 0.454 400 S N 0.275 115.909 115.700 -0.110 0.000 2.446 400 S HA -0.035 4.433 4.470 -0.003 0.000 0.225 400 S C 0.809 175.360 174.600 -0.082 0.000 1.016 400 S CA 0.136 58.284 58.200 -0.086 0.000 0.943 400 S CB -0.239 62.919 63.200 -0.070 0.000 0.786 400 S HN 0.243 nan 8.310 nan 0.000 0.508 401 N N 2.076 120.717 118.700 -0.098 0.000 2.479 401 N HA 0.361 5.099 4.740 -0.003 0.000 0.261 401 N C -2.194 173.247 175.510 -0.114 0.000 0.979 401 N CA -2.168 50.835 53.050 -0.078 0.000 0.930 401 N CB 1.893 40.343 38.487 -0.061 0.000 1.172 401 N HN -0.031 nan 8.380 nan 0.000 0.499 402 P HA -0.110 nan 4.420 nan 0.000 0.222 402 P C 0.864 178.078 177.300 -0.143 0.000 1.147 402 P CA 0.675 63.696 63.100 -0.131 0.000 0.790 402 P CB 0.299 32.048 31.700 0.082 0.000 0.780 403 A N 0.341 123.181 122.820 0.032 0.000 1.933 403 A HA -0.131 4.188 4.320 -0.003 0.000 0.218 403 A C 2.308 179.884 177.584 -0.013 0.000 1.175 403 A CA 1.233 53.330 52.037 0.099 0.000 0.628 403 A CB -1.391 17.679 19.000 0.117 0.000 0.814 403 A HN 0.149 nan 8.150 nan 0.000 0.444 404 I N -0.882 119.632 120.570 -0.093 0.000 2.500 404 I HA -0.151 4.018 4.170 -0.003 0.000 0.252 404 I C 2.808 178.785 176.117 -0.233 0.000 1.142 404 I CA 0.873 62.096 61.300 -0.128 0.000 1.451 404 I CB -0.166 37.758 38.000 -0.126 0.000 1.093 404 I HN 0.359 nan 8.210 nan 0.000 0.430 405 A N -0.077 122.498 122.820 -0.408 0.000 1.935 405 A HA -0.097 4.222 4.320 -0.003 0.000 0.214 405 A C 1.621 178.784 177.584 -0.701 0.000 1.178 405 A CA 1.285 52.920 52.037 -0.670 0.000 0.640 405 A CB -0.333 18.040 19.000 -1.045 0.000 0.825 405 A HN 0.445 nan 8.150 nan 0.000 0.447 406 Y N -0.726 119.384 120.300 -0.315 0.000 2.426 406 Y HA 0.353 4.901 4.550 -0.003 0.000 0.249 406 Y C 1.643 177.477 175.900 -0.111 0.000 1.103 406 Y CA -0.869 57.040 58.100 -0.317 0.000 1.256 406 Y CB -0.614 37.372 38.460 -0.789 0.000 1.208 406 Y HN 0.226 nan 8.280 nan 0.000 0.519 407 G N 0.995 109.840 108.800 0.075 0.000 2.664 407 G HA2 0.325 4.284 3.960 -0.003 0.000 0.242 407 G HA3 0.325 4.284 3.960 -0.003 0.000 0.242 407 G C 0.395 175.400 174.900 0.174 0.000 1.225 407 G CA 0.040 45.270 45.100 0.218 0.000 0.849 407 G HN 0.263 nan 8.290 nan 0.000 0.581 408 S N -1.037 114.775 115.700 0.188 0.000 2.661 408 S HA 0.703 5.171 4.470 -0.003 0.000 0.265 408 S C -0.060 174.620 174.600 0.133 0.000 1.225 408 S CA -0.453 57.834 58.200 0.146 0.000 0.986 408 S CB 1.559 64.841 63.200 0.137 0.000 1.008 408 S HN 0.633 nan 8.310 nan 0.000 0.565 409 T N 1.155 115.786 114.554 0.127 0.000 2.881 409 T HA 0.553 4.902 4.350 -0.003 0.000 0.290 409 T C -1.144 173.645 174.700 0.149 0.000 1.000 409 T CA -0.545 61.641 62.100 0.143 0.000 0.978 409 T CB 1.440 70.380 68.868 0.120 0.000 0.997 409 T HN 0.688 nan 8.240 nan 0.000 0.443 410 Q N 2.047 121.947 119.800 0.166 0.000 2.305 410 Q HA 0.318 4.657 4.340 -0.003 0.000 0.271 410 Q C -1.178 174.933 176.000 0.185 0.000 1.046 410 Q CA -0.767 55.130 55.803 0.158 0.000 0.798 410 Q CB 1.937 30.750 28.738 0.125 0.000 1.286 410 Q HN 0.604 nan 8.270 nan 0.000 0.435 411 Q N 3.319 123.243 119.800 0.206 0.000 2.296 411 Q HA 0.121 4.460 4.340 -0.003 0.000 0.262 411 Q C -0.303 175.814 176.000 0.195 0.000 0.981 411 Q CA 0.178 56.127 55.803 0.243 0.000 0.905 411 Q CB 0.723 29.654 28.738 0.320 0.000 1.186 411 Q HN 0.669 nan 8.270 nan 0.000 0.399 412 R N 3.259 123.881 120.500 0.202 0.000 2.279 412 R HA 0.171 4.510 4.340 -0.003 0.000 0.195 412 R C -0.350 176.147 176.300 0.328 0.000 0.905 412 R CA 0.386 56.615 56.100 0.216 0.000 1.044 412 R CB 0.488 30.901 30.300 0.188 0.000 1.056 412 R HN 0.671 nan 8.270 nan 0.000 0.535 413 W N -0.258 121.113 121.300 0.118 0.000 3.571 413 W HA 0.589 5.247 4.660 -0.003 0.000 0.294 413 W C -1.643 174.967 176.519 0.152 0.000 1.257 413 W CA -0.593 56.820 57.345 0.113 0.000 1.206 413 W CB 1.347 30.865 29.460 0.096 0.000 1.325 413 W HN -0.159 nan 8.180 nan 0.000 0.546 414 I N 5.180 125.763 120.570 0.021 0.000 2.842 414 I HA 0.436 4.604 4.170 -0.003 0.000 0.296 414 I C -1.684 174.258 176.117 -0.292 0.000 1.538 414 I CA -0.483 60.824 61.300 0.013 0.000 0.994 414 I CB 1.683 39.655 38.000 -0.047 0.000 1.372 414 I HN 0.642 nan 8.210 nan 0.000 0.478 415 N N 3.476 122.033 118.700 -0.238 0.000 3.308 415 N HA 0.216 4.954 4.740 -0.003 0.000 0.276 415 N C -0.110 175.279 175.510 -0.202 0.000 1.533 415 N CA -0.252 52.696 53.050 -0.171 0.000 0.878 415 N CB -0.055 38.434 38.487 0.004 0.000 1.566 415 N HN 0.550 nan 8.380 nan 0.000 0.546 416 N N -0.578 118.141 118.700 0.032 0.000 2.132 416 N HA -0.216 4.523 4.740 -0.003 0.000 0.191 416 N C -0.398 175.083 175.510 -0.048 0.000 1.015 416 N CA 1.979 55.049 53.050 0.033 0.000 0.864 416 N CB -0.351 38.188 38.487 0.087 0.000 1.006 416 N HN 0.602 nan 8.380 nan 0.000 0.430 417 D N -0.387 120.011 120.400 -0.003 0.000 2.454 417 D HA 0.229 4.868 4.640 -0.003 0.000 0.214 417 D C -0.077 176.255 176.300 0.054 0.000 1.088 417 D CA -0.041 53.960 54.000 0.002 0.000 0.855 417 D CB 1.149 41.968 40.800 0.033 0.000 1.025 417 D HN 0.050 nan 8.370 nan 0.000 0.502 418 V N 1.148 121.136 119.914 0.124 0.000 2.581 418 V HA 0.387 4.505 4.120 -0.003 0.000 0.303 418 V C -1.104 175.187 176.094 0.328 0.000 1.041 418 V CA -0.801 61.642 62.300 0.237 0.000 0.907 418 V CB 2.190 34.206 31.823 0.322 0.000 0.994 418 V HN -0.017 nan 8.190 nan 0.000 0.442 419 Y N 3.264 123.683 120.300 0.199 0.000 2.362 419 Y HA 0.677 5.225 4.550 -0.003 0.000 0.326 419 Y C -1.047 175.053 175.900 0.333 0.000 1.083 419 Y CA -1.311 56.934 58.100 0.241 0.000 1.073 419 Y CB 2.083 40.661 38.460 0.197 0.000 1.211 419 Y HN 0.346 nan 8.280 nan 0.000 0.433 420 V N 8.440 128.471 119.914 0.195 0.000 2.409 420 V HA 0.401 4.520 4.120 -0.003 0.000 0.290 420 V C -1.110 174.941 176.094 -0.071 0.000 1.017 420 V CA -0.797 61.534 62.300 0.052 0.000 0.841 420 V CB 0.677 32.636 31.823 0.225 0.000 1.003 420 V HN 0.609 nan 8.190 nan 0.000 0.426 421 Y N 1.375 121.502 120.300 -0.288 0.000 2.587 421 Y HA 0.870 5.418 4.550 -0.003 0.000 0.337 421 Y C -0.290 175.576 175.900 -0.057 0.000 1.065 421 Y CA -1.550 56.415 58.100 -0.224 0.000 1.126 421 Y CB 1.555 39.797 38.460 -0.364 0.000 1.279 421 Y HN 0.591 nan 8.280 nan 0.000 0.489 422 E N 1.928 122.216 120.200 0.146 0.000 2.234 422 E HA 0.447 4.795 4.350 -0.003 0.000 0.266 422 E C -1.249 175.438 176.600 0.145 0.000 0.877 422 E CA -1.128 55.325 56.400 0.088 0.000 0.758 422 E CB 1.082 30.828 29.700 0.077 0.000 1.170 422 E HN 0.618 nan 8.360 nan 0.000 0.415 423 R N 3.452 124.020 120.500 0.113 0.000 2.393 423 R HA 0.452 4.790 4.340 -0.003 0.000 0.310 423 R C -0.624 175.747 176.300 0.118 0.000 0.968 423 R CA -0.548 55.626 56.100 0.123 0.000 0.867 423 R CB 1.459 31.817 30.300 0.095 0.000 1.124 423 R HN 0.508 nan 8.270 nan 0.000 0.450 424 K N 2.368 122.857 120.400 0.149 0.000 2.501 424 K HA 0.462 4.781 4.320 -0.003 0.000 0.252 424 K C -1.819 174.937 176.600 0.260 0.000 0.934 424 K CA -0.634 55.754 56.287 0.167 0.000 0.797 424 K CB 1.607 34.179 32.500 0.121 0.000 1.270 424 K HN 0.412 nan 8.250 nan 0.000 0.431 425 F N 3.799 123.794 119.950 0.076 0.000 2.915 425 F HA 0.388 4.913 4.527 -0.003 0.000 0.350 425 F C 0.136 175.975 175.800 0.064 0.000 1.248 425 F CA 0.751 58.800 58.000 0.082 0.000 1.084 425 F CB 1.104 40.172 39.000 0.114 0.000 1.391 425 F HN 0.858 nan 8.300 nan 0.000 0.548 426 G N 5.608 114.189 108.800 -0.365 0.000 2.561 426 G HA2 -0.363 3.595 3.960 -0.003 0.000 0.289 426 G HA3 -0.363 3.595 3.960 -0.003 0.000 0.289 426 G C 0.727 175.594 174.900 -0.056 0.000 1.169 426 G CA 0.476 45.404 45.100 -0.287 0.000 0.980 426 G HN 0.701 nan 8.290 nan 0.000 0.550 427 K N 0.633 121.036 120.400 0.006 0.000 2.379 427 K HA 0.323 4.641 4.320 -0.003 0.000 0.194 427 K C 1.042 177.762 176.600 0.201 0.000 1.031 427 K CA 0.561 56.914 56.287 0.110 0.000 1.037 427 K CB 0.254 32.832 32.500 0.130 0.000 0.824 427 K HN 0.257 nan 8.250 nan 0.000 0.516 428 S N 1.224 117.014 115.700 0.150 0.000 2.548 428 S HA 0.244 4.713 4.470 -0.003 0.000 0.277 428 S C -0.512 174.198 174.600 0.183 0.000 1.315 428 S CA -0.596 57.697 58.200 0.154 0.000 1.050 428 S CB 1.505 64.783 63.200 0.131 0.000 0.918 428 S HN 0.082 nan 8.310 nan 0.000 0.497 429 V N 1.785 121.811 119.914 0.187 0.000 3.078 429 V HA 0.951 5.069 4.120 -0.003 0.000 0.311 429 V C -1.394 174.755 176.094 0.090 0.000 1.138 429 V CA -0.632 61.749 62.300 0.136 0.000 1.007 429 V CB 2.019 33.912 31.823 0.117 0.000 1.045 429 V HN 0.998 nan 8.190 nan 0.000 0.432 430 A N 4.357 127.207 122.820 0.049 0.000 2.427 430 A HA 0.840 5.159 4.320 -0.003 0.000 0.298 430 A C -1.579 175.986 177.584 -0.031 0.000 1.036 430 A CA -0.461 51.579 52.037 0.005 0.000 0.701 430 A CB 1.963 20.956 19.000 -0.013 0.000 1.250 430 A HN 1.293 nan 8.150 nan 0.000 0.412 431 V N 2.626 122.514 119.914 -0.044 0.000 2.487 431 V HA 0.577 4.696 4.120 -0.003 0.000 0.298 431 V C -0.492 175.466 176.094 -0.227 0.000 1.028 431 V CA -0.545 61.716 62.300 -0.065 0.000 0.860 431 V CB 1.635 33.527 31.823 0.115 0.000 0.991 431 V HN 0.717 nan 8.190 nan 0.000 0.427 432 V N 3.500 123.099 119.914 -0.525 0.000 2.495 432 V HA 0.865 4.983 4.120 -0.003 0.000 0.298 432 V C 0.195 175.976 176.094 -0.522 0.000 1.031 432 V CA -0.582 61.314 62.300 -0.674 0.000 0.871 432 V CB 1.765 33.043 31.823 -0.909 0.000 0.988 432 V HN 0.984 nan 8.190 nan 0.000 0.432 433 A N 4.428 127.044 122.820 -0.339 0.000 2.318 433 A HA 0.903 5.222 4.320 -0.003 0.000 0.317 433 A C -0.938 176.659 177.584 0.022 0.000 1.159 433 A CA -0.551 51.456 52.037 -0.051 0.000 0.799 433 A CB 1.557 20.646 19.000 0.148 0.000 1.194 433 A HN 0.722 nan 8.150 nan 0.000 0.479 434 V N 2.707 122.723 119.914 0.169 0.000 2.638 434 V HA 0.444 4.563 4.120 -0.003 0.000 0.306 434 V C -0.707 175.525 176.094 0.230 0.000 1.052 434 V CA -0.787 61.654 62.300 0.234 0.000 0.885 434 V CB 2.027 34.091 31.823 0.402 0.000 0.999 434 V HN 0.888 nan 8.190 nan 0.000 0.424 435 N N 3.342 122.154 118.700 0.187 0.000 2.626 435 N HA 0.284 5.022 4.740 -0.003 0.000 0.249 435 N C 0.992 176.595 175.510 0.156 0.000 1.021 435 N CA -0.755 52.385 53.050 0.150 0.000 0.886 435 N CB 1.258 39.812 38.487 0.111 0.000 1.149 435 N HN 0.719 nan 8.380 nan 0.000 0.517 436 R N 1.950 122.539 120.500 0.148 0.000 2.280 436 R HA 0.040 4.379 4.340 -0.003 0.000 0.207 436 R C 0.176 176.536 176.300 0.100 0.000 1.043 436 R CA 0.203 56.393 56.100 0.149 0.000 1.006 436 R CB -0.126 30.197 30.300 0.039 0.000 0.885 436 R HN 0.269 nan 8.270 nan 0.000 0.467 437 N N 1.673 120.418 118.700 0.076 0.000 2.431 437 N HA -0.020 4.718 4.740 -0.003 0.000 0.265 437 N C 0.537 176.087 175.510 0.067 0.000 1.184 437 N CA 0.069 53.155 53.050 0.060 0.000 0.943 437 N CB 0.930 39.448 38.487 0.052 0.000 1.080 437 N HN 0.264 nan 8.380 nan 0.000 0.477 438 L N 2.506 123.766 121.223 0.062 0.000 2.395 438 L HA -0.067 4.272 4.340 -0.003 0.000 0.218 438 L C 1.969 178.868 176.870 0.048 0.000 1.130 438 L CA 0.580 55.456 54.840 0.060 0.000 0.826 438 L CB -0.122 41.972 42.059 0.059 0.000 0.941 438 L HN 0.584 nan 8.230 nan 0.000 0.451 439 S N -2.879 112.846 115.700 0.042 0.000 2.539 439 S HA 0.059 4.528 4.470 -0.003 0.000 0.226 439 S C 0.953 175.574 174.600 0.034 0.000 1.054 439 S CA 0.116 58.337 58.200 0.035 0.000 0.910 439 S CB 0.090 63.308 63.200 0.029 0.000 0.818 439 S HN 0.325 nan 8.310 nan 0.000 0.490 440 T N 1.918 116.494 114.554 0.037 0.000 2.856 440 T HA 0.672 5.021 4.350 -0.003 0.000 0.283 440 T C -0.099 174.623 174.700 0.037 0.000 1.008 440 T CA -0.196 61.925 62.100 0.034 0.000 0.997 440 T CB 1.793 70.680 68.868 0.032 0.000 0.992 440 T HN 0.390 nan 8.240 nan 0.000 0.454 441 S N 2.411 118.129 115.700 0.031 0.000 2.645 441 S HA 0.778 5.246 4.470 -0.003 0.000 0.266 441 S C 0.090 174.695 174.600 0.009 0.000 1.258 441 S CA -0.670 57.545 58.200 0.025 0.000 0.990 441 S CB 0.753 63.967 63.200 0.024 0.000 0.967 441 S HN 1.466 nan 8.310 nan 0.000 0.556 442 A N 0.978 123.786 122.820 -0.021 0.000 2.356 442 A HA 0.688 5.006 4.320 -0.003 0.000 0.310 442 A C -0.268 177.214 177.584 -0.170 0.000 1.075 442 A CA -0.791 51.208 52.037 -0.064 0.000 0.746 442 A CB 1.382 20.346 19.000 -0.060 0.000 1.221 442 A HN 0.742 nan 8.150 nan 0.000 0.443 443 S N 2.681 118.289 115.700 -0.154 0.000 2.411 443 S HA 0.391 4.860 4.470 -0.003 0.000 0.294 443 S C -0.024 174.357 174.600 -0.365 0.000 1.115 443 S CA -0.364 57.702 58.200 -0.223 0.000 1.071 443 S CB -0.098 63.041 63.200 -0.102 0.000 0.967 443 S HN 0.487 nan 8.310 nan 0.000 0.488 444 I N 4.553 124.701 120.570 -0.704 0.000 2.325 444 I HA 0.335 4.504 4.170 -0.003 0.000 0.291 444 I C 0.791 176.590 176.117 -0.530 0.000 1.019 444 I CA -0.284 60.444 61.300 -0.953 0.000 1.302 444 I CB 0.405 37.465 38.000 -1.567 0.000 1.401 444 I HN 0.559 nan 8.210 nan 0.000 0.485 445 T N 0.422 114.862 114.554 -0.190 0.000 2.893 445 T HA 0.646 4.995 4.350 -0.003 0.000 0.293 445 T C 0.513 175.309 174.700 0.161 0.000 1.027 445 T CA -0.276 61.822 62.100 -0.003 0.000 0.988 445 T CB 1.948 70.844 68.868 0.047 0.000 1.043 445 T HN 1.063 nan 8.240 nan 0.000 0.461 446 G N 0.941 109.813 108.800 0.119 0.000 2.198 446 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.257 446 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.257 446 G C -0.232 174.796 174.900 0.212 0.000 1.042 446 G CA 0.116 45.310 45.100 0.157 0.000 0.791 446 G HN 1.178 nan 8.290 nan 0.000 0.502 447 L N 1.288 122.611 121.223 0.166 0.000 2.290 447 L HA 0.762 5.100 4.340 -0.003 0.000 0.284 447 L C 0.205 177.147 176.870 0.120 0.000 1.078 447 L CA -0.208 54.746 54.840 0.190 0.000 0.815 447 L CB 1.464 43.592 42.059 0.114 0.000 1.162 447 L HN 0.105 nan 8.230 nan 0.000 0.435 448 S N 2.795 118.571 115.700 0.126 0.000 2.503 448 S HA 0.878 5.347 4.470 -0.003 0.000 0.301 448 S C -0.295 174.340 174.600 0.059 0.000 1.087 448 S CA -0.324 57.919 58.200 0.072 0.000 1.042 448 S CB 1.708 64.950 63.200 0.070 0.000 1.043 448 S HN 0.886 nan 8.310 nan 0.000 0.489 449 T N -1.436 113.127 114.554 0.015 0.000 2.754 449 T HA 0.492 4.841 4.350 -0.003 0.000 0.296 449 T C 0.140 174.828 174.700 -0.020 0.000 1.205 449 T CA -0.698 61.401 62.100 -0.002 0.000 1.009 449 T CB 1.171 70.011 68.868 -0.047 0.000 1.368 449 T HN 0.204 nan 8.240 nan 0.000 0.509 450 S N -0.025 115.661 115.700 -0.024 0.000 2.577 450 S HA 0.317 4.785 4.470 -0.003 0.000 0.219 450 S C 0.551 175.106 174.600 -0.075 0.000 0.962 450 S CA -0.471 57.713 58.200 -0.026 0.000 0.921 450 S CB -0.661 62.545 63.200 0.009 0.000 0.789 450 S HN 0.458 nan 8.310 nan 0.000 0.497 451 L N 3.138 124.281 121.223 -0.134 0.000 2.462 451 L HA 0.210 4.549 4.340 -0.003 0.000 0.272 451 L C -2.357 174.413 176.870 -0.166 0.000 1.166 451 L CA -1.779 52.917 54.840 -0.239 0.000 0.880 451 L CB 0.143 41.909 42.059 -0.489 0.000 1.142 451 L HN -0.057 nan 8.230 nan 0.000 0.473 452 P HA 0.038 nan 4.420 nan 0.000 0.272 452 P C -0.438 176.849 177.300 -0.022 0.000 1.240 452 P CA -0.362 62.626 63.100 -0.186 0.000 0.791 452 P CB 0.391 31.825 31.700 -0.443 0.000 0.978 453 T N 1.316 115.847 114.554 -0.039 0.000 2.908 453 T HA 0.420 4.769 4.350 -0.003 0.000 0.301 453 T C 0.519 175.199 174.700 -0.034 0.000 1.019 453 T CA 1.088 63.180 62.100 -0.014 0.000 1.152 453 T CB -0.560 68.289 68.868 -0.033 0.000 0.966 453 T HN 0.764 nan 8.240 nan 0.000 0.540 454 G N 1.766 110.539 108.800 -0.045 0.000 2.337 454 G HA2 0.377 4.336 3.960 -0.003 0.000 0.298 454 G HA3 0.377 4.336 3.960 -0.003 0.000 0.298 454 G C -1.259 173.461 174.900 -0.298 0.000 1.335 454 G CA -0.966 44.007 45.100 -0.211 0.000 0.875 454 G HN 0.613 nan 8.290 nan 0.000 0.579 455 S N -0.278 115.169 115.700 -0.421 0.000 2.462 455 S HA 0.708 5.177 4.470 -0.003 0.000 0.294 455 S C -1.292 172.991 174.600 -0.528 0.000 1.144 455 S CA -0.251 57.752 58.200 -0.328 0.000 1.088 455 S CB 0.829 63.916 63.200 -0.188 0.000 1.009 455 S HN 0.423 nan 8.310 nan 0.000 0.484 456 Y N 1.037 121.271 120.300 -0.110 0.000 2.364 456 Y HA 0.404 4.953 4.550 -0.003 0.000 0.340 456 Y C 0.861 176.790 175.900 0.047 0.000 0.975 456 Y CA -0.746 57.334 58.100 -0.034 0.000 1.089 456 Y CB 1.444 39.863 38.460 -0.068 0.000 1.192 456 Y HN 0.415 nan 8.280 nan 0.000 0.454 457 T N 2.064 116.772 114.554 0.257 0.000 2.875 457 T HA 0.098 4.447 4.350 -0.003 0.000 0.284 457 T C -0.701 174.190 174.700 0.318 0.000 0.995 457 T CA -0.732 61.503 62.100 0.225 0.000 1.060 457 T CB 0.731 69.667 68.868 0.113 0.000 0.967 457 T HN 0.510 nan 8.240 nan 0.000 0.476 458 D N 1.885 122.429 120.400 0.241 0.000 2.401 458 D HA 0.035 4.674 4.640 -0.003 0.000 0.254 458 D C 1.145 177.440 176.300 -0.009 0.000 1.192 458 D CA -0.164 53.862 54.000 0.042 0.000 0.885 458 D CB 0.699 41.506 40.800 0.012 0.000 1.147 458 D HN 0.165 nan 8.370 nan 0.000 0.478 459 V N 4.468 124.338 119.914 -0.073 0.000 2.568 459 V HA -0.210 3.908 4.120 -0.003 0.000 0.253 459 V C 2.193 178.255 176.094 -0.053 0.000 1.072 459 V CA 1.288 63.559 62.300 -0.049 0.000 1.084 459 V CB -0.493 31.286 31.823 -0.074 0.000 0.676 459 V HN 0.653 nan 8.190 nan 0.000 0.469 460 L N 0.258 121.432 121.223 -0.081 0.000 2.552 460 L HA 0.205 4.543 4.340 -0.003 0.000 0.227 460 L C 1.831 178.688 176.870 -0.021 0.000 1.146 460 L CA 0.835 55.643 54.840 -0.055 0.000 0.858 460 L CB -0.626 41.388 42.059 -0.074 0.000 0.969 460 L HN 0.535 nan 8.230 nan 0.000 0.451 461 G N -0.003 108.791 108.800 -0.010 0.000 2.179 461 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.257 461 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.257 461 G C 0.972 175.882 174.900 0.016 0.000 1.010 461 G CA 0.331 45.437 45.100 0.011 0.000 0.736 461 G HN 0.681 nan 8.290 nan 0.000 0.513 462 G N -2.375 106.431 108.800 0.010 0.000 2.159 462 G HA2 -0.108 3.851 3.960 -0.003 0.000 0.256 462 G HA3 -0.108 3.851 3.960 -0.003 0.000 0.256 462 G C 1.872 176.784 174.900 0.021 0.000 0.977 462 G CA 1.800 46.913 45.100 0.021 0.000 0.652 462 G HN 2.178 nan 8.290 nan 0.000 0.531 463 V N -1.733 118.191 119.914 0.016 0.000 2.594 463 V HA 0.216 4.335 4.120 -0.003 0.000 0.253 463 V C 1.834 177.946 176.094 0.029 0.000 1.069 463 V CA 2.044 64.360 62.300 0.026 0.000 1.082 463 V CB -0.302 31.539 31.823 0.031 0.000 0.680 463 V HN 0.453 nan 8.190 nan 0.000 0.469 464 L N 1.472 122.706 121.223 0.017 0.000 3.094 464 L HA 0.442 4.780 4.340 -0.003 0.000 0.254 464 L C 0.401 177.288 176.870 0.028 0.000 1.298 464 L CA -0.215 54.639 54.840 0.023 0.000 1.050 464 L CB -0.532 41.532 42.059 0.009 0.000 1.420 464 L HN 0.404 nan 8.230 nan 0.000 0.548 465 N N 0.459 119.180 118.700 0.034 0.000 2.708 465 N HA -0.151 4.588 4.740 -0.003 0.000 0.249 465 N C 0.626 176.168 175.510 0.055 0.000 1.097 465 N CA 0.959 54.037 53.050 0.047 0.000 0.710 465 N CB -1.007 37.512 38.487 0.054 0.000 1.032 465 N HN 0.596 nan 8.380 nan 0.000 0.551 466 G N 0.444 109.263 108.800 0.032 0.000 2.606 466 G HA2 0.386 4.345 3.960 -0.003 0.000 0.252 466 G HA3 0.386 4.345 3.960 -0.003 0.000 0.252 466 G C 0.496 175.455 174.900 0.097 0.000 1.206 466 G CA -0.268 44.852 45.100 0.033 0.000 0.861 466 G HN 0.481 nan 8.290 nan 0.000 0.561 467 N N -0.836 117.975 118.700 0.186 0.000 2.701 467 N HA 0.218 4.957 4.740 -0.003 0.000 0.290 467 N C -1.082 174.599 175.510 0.286 0.000 1.338 467 N CA -0.868 52.295 53.050 0.189 0.000 0.799 467 N CB 1.492 40.077 38.487 0.163 0.000 1.491 467 N HN 0.538 nan 8.380 nan 0.000 0.540 468 N N -0.737 118.036 118.700 0.122 0.000 2.466 468 N HA 0.594 5.332 4.740 -0.003 0.000 0.294 468 N C -0.490 174.878 175.510 -0.236 0.000 1.129 468 N CA -0.805 52.276 53.050 0.051 0.000 0.931 468 N CB 2.044 40.550 38.487 0.033 0.000 1.193 468 N HN 0.531 nan 8.380 nan 0.000 0.500 469 I N -2.935 117.374 120.570 -0.435 0.000 3.145 469 I HA 0.650 4.819 4.170 -0.003 0.000 0.313 469 I C -0.968 174.978 176.117 -0.284 0.000 1.122 469 I CA -0.742 60.212 61.300 -0.576 0.000 0.987 469 I CB 2.448 39.747 38.000 -1.168 0.000 1.236 469 I HN 0.228 nan 8.210 nan 0.000 0.453 470 T N 1.665 116.084 114.554 -0.225 0.000 2.841 470 T HA 0.399 4.748 4.350 -0.003 0.000 0.285 470 T C -0.625 174.033 174.700 -0.069 0.000 0.991 470 T CA -0.479 61.561 62.100 -0.100 0.000 0.966 470 T CB 1.432 70.250 68.868 -0.083 0.000 0.962 470 T HN 0.688 nan 8.240 nan 0.000 0.438 471 S N 1.926 117.639 115.700 0.022 0.000 2.509 471 S HA 0.628 5.096 4.470 -0.003 0.000 0.297 471 S C -0.345 174.257 174.600 0.003 0.000 1.118 471 S CA -0.520 57.688 58.200 0.014 0.000 1.074 471 S CB 0.602 63.856 63.200 0.090 0.000 1.038 471 S HN 0.661 nan 8.310 nan 0.000 0.498 472 T N 4.416 118.962 114.554 -0.014 0.000 3.317 472 T HA 0.388 4.736 4.350 -0.003 0.000 0.361 472 T C -0.400 174.291 174.700 -0.015 0.000 1.499 472 T CA -0.616 61.475 62.100 -0.015 0.000 1.529 472 T CB -0.716 68.144 68.868 -0.014 0.000 0.997 472 T HN 0.876 nan 8.240 nan 0.000 0.624 473 N N 1.727 120.415 118.700 -0.020 0.000 2.756 473 N HA -0.208 4.530 4.740 -0.003 0.000 0.248 473 N C 1.208 176.704 175.510 -0.025 0.000 1.062 473 N CA 0.787 53.822 53.050 -0.025 0.000 0.696 473 N CB -1.100 37.377 38.487 -0.017 0.000 0.946 473 N HN 1.018 nan 8.380 nan 0.000 0.548 474 G N -1.822 106.957 108.800 -0.035 0.000 2.358 474 G HA2 -0.340 3.619 3.960 -0.003 0.000 0.224 474 G HA3 -0.340 3.619 3.960 -0.003 0.000 0.224 474 G C 0.184 175.067 174.900 -0.028 0.000 1.073 474 G CA 0.176 45.253 45.100 -0.038 0.000 0.635 474 G HN 0.496 nan 8.290 nan 0.000 0.509 475 S N 2.581 118.274 115.700 -0.013 0.000 2.443 475 S HA 0.493 4.961 4.470 -0.003 0.000 0.284 475 S C 0.607 175.197 174.600 -0.017 0.000 1.206 475 S CA -0.160 58.040 58.200 -0.001 0.000 1.074 475 S CB 0.339 63.544 63.200 0.008 0.000 0.963 475 S HN 0.364 nan 8.310 nan 0.000 0.501 476 I N 3.969 124.528 120.570 -0.019 0.000 2.428 476 I HA 0.161 4.330 4.170 -0.003 0.000 0.289 476 I C 0.909 177.031 176.117 0.009 0.000 1.019 476 I CA -0.431 60.839 61.300 -0.051 0.000 1.351 476 I CB 0.087 38.032 38.000 -0.093 0.000 1.412 476 I HN 0.559 nan 8.210 nan 0.000 0.513 477 N N 4.976 123.671 118.700 -0.009 0.000 2.479 477 N HA 0.044 4.782 4.740 -0.003 0.000 0.257 477 N C -0.099 175.479 175.510 0.113 0.000 1.232 477 N CA -0.508 52.559 53.050 0.028 0.000 0.920 477 N CB 0.436 38.923 38.487 -0.000 0.000 1.105 477 N HN 0.462 nan 8.380 nan 0.000 0.444 478 N N 1.346 120.093 118.700 0.079 0.000 2.353 478 N HA 0.051 4.789 4.740 -0.003 0.000 0.248 478 N C -0.852 174.749 175.510 0.151 0.000 1.240 478 N CA 0.665 53.749 53.050 0.057 0.000 0.862 478 N CB -0.059 38.427 38.487 -0.002 0.000 1.086 478 N HN 0.403 nan 8.380 nan 0.000 0.453 479 F N -2.556 117.334 119.950 -0.100 0.000 2.686 479 F HA 0.539 5.065 4.527 -0.003 0.000 0.311 479 F C -0.705 175.049 175.800 -0.077 0.000 1.128 479 F CA -1.094 56.856 58.000 -0.082 0.000 0.946 479 F CB 0.888 39.829 39.000 -0.098 0.000 1.336 479 F HN 0.062 nan 8.300 nan 0.000 0.457 480 T N 3.199 117.797 114.554 0.074 0.000 2.758 480 T HA 0.504 4.852 4.350 -0.003 0.000 0.285 480 T C -1.097 173.674 174.700 0.120 0.000 0.981 480 T CA -0.295 61.791 62.100 -0.024 0.000 0.965 480 T CB 1.123 70.002 68.868 0.017 0.000 0.927 480 T HN 0.671 nan 8.240 nan 0.000 0.448 481 L N 4.630 125.860 121.223 0.012 0.000 2.261 481 L HA 0.641 4.979 4.340 -0.003 0.000 0.289 481 L C 0.607 177.526 176.870 0.083 0.000 1.059 481 L CA -0.373 54.548 54.840 0.135 0.000 0.816 481 L CB -0.346 41.758 42.059 0.075 0.000 1.191 481 L HN 0.788 nan 8.230 nan 0.000 0.431 482 A N 4.421 127.304 122.820 0.105 0.000 2.475 482 A HA 0.510 4.828 4.320 -0.003 0.000 0.239 482 A C 0.583 178.208 177.584 0.069 0.000 1.087 482 A CA 0.205 52.288 52.037 0.076 0.000 0.779 482 A CB -0.155 18.891 19.000 0.077 0.000 1.036 482 A HN 1.104 nan 8.150 nan 0.000 0.506 483 A N 0.091 122.946 122.820 0.059 0.000 2.520 483 A HA 0.476 4.794 4.320 -0.003 0.000 0.245 483 A C 1.645 179.270 177.584 0.069 0.000 1.072 483 A CA 0.701 52.774 52.037 0.059 0.000 0.761 483 A CB -0.992 18.038 19.000 0.050 0.000 1.004 483 A HN 2.769 nan 8.150 nan 0.000 0.499 484 G N 0.793 109.642 108.800 0.082 0.000 2.212 484 G HA2 0.097 4.055 3.960 -0.003 0.000 0.267 484 G HA3 0.097 4.055 3.960 -0.003 0.000 0.267 484 G C 0.584 175.539 174.900 0.092 0.000 1.002 484 G CA 0.801 45.959 45.100 0.095 0.000 0.729 484 G HN 2.113 nan 8.290 nan 0.000 0.517 485 A N -0.835 122.039 122.820 0.089 0.000 2.304 485 A HA 0.899 5.217 4.320 -0.003 0.000 0.271 485 A C 0.620 178.249 177.584 0.075 0.000 1.091 485 A CA 0.860 52.944 52.037 0.079 0.000 0.812 485 A CB 1.189 20.243 19.000 0.090 0.000 1.056 485 A HN 1.876 nan 8.150 nan 0.000 0.489 486 T N -0.865 113.705 114.554 0.026 0.000 3.295 486 T HA 0.611 4.959 4.350 -0.003 0.000 0.331 486 T C -0.913 173.703 174.700 -0.141 0.000 1.142 486 T CA 0.301 62.386 62.100 -0.025 0.000 1.078 486 T CB 0.638 69.514 68.868 0.013 0.000 1.150 486 T HN 2.009 nan 8.240 nan 0.000 0.465 487 A N 3.411 126.036 122.820 -0.325 0.000 2.454 487 A HA 0.909 5.227 4.320 -0.003 0.000 0.302 487 A C -1.108 175.899 177.584 -0.962 0.000 1.079 487 A CA -0.755 50.907 52.037 -0.626 0.000 0.731 487 A CB 2.141 20.702 19.000 -0.732 0.000 1.299 487 A HN 1.033 nan 8.150 nan 0.000 0.413 488 V N 1.735 121.093 119.914 -0.926 0.000 2.483 488 V HA 0.512 4.631 4.120 -0.003 0.000 0.297 488 V C -1.230 174.448 176.094 -0.693 0.000 1.027 488 V CA -0.510 61.351 62.300 -0.733 0.000 0.855 488 V CB 1.314 32.923 31.823 -0.357 0.000 0.995 488 V HN 0.817 nan 8.190 nan 0.000 0.424 489 W N 4.081 125.316 121.300 -0.109 0.000 2.702 489 W HA 0.750 5.408 4.660 -0.003 0.000 0.331 489 W C -0.209 176.245 176.519 -0.109 0.000 1.049 489 W CA -0.654 56.636 57.345 -0.093 0.000 1.230 489 W CB 2.088 31.443 29.460 -0.175 0.000 1.408 489 W HN 0.738 nan 8.180 nan 0.000 0.492 490 Q N 1.175 121.086 119.800 0.184 0.000 2.553 490 Q HA 0.744 5.082 4.340 -0.003 0.000 0.293 490 Q C -2.088 174.073 176.000 0.268 0.000 1.038 490 Q CA -1.159 54.722 55.803 0.131 0.000 0.777 490 Q CB 3.347 32.127 28.738 0.072 0.000 1.487 490 Q HN 0.336 nan 8.270 nan 0.000 0.426 491 Y N 0.495 120.847 120.300 0.086 0.000 2.358 491 Y HA 0.540 5.088 4.550 -0.003 0.000 0.324 491 Y C -1.797 174.155 175.900 0.087 0.000 1.123 491 Y CA -0.137 58.047 58.100 0.139 0.000 1.067 491 Y CB 2.116 40.672 38.460 0.159 0.000 1.230 491 Y HN 0.942 nan 8.280 nan 0.000 0.429 492 T N 1.910 116.122 114.554 -0.568 0.000 2.887 492 T HA 0.809 5.158 4.350 -0.003 0.000 0.288 492 T C -0.677 173.660 174.700 -0.604 0.000 1.021 492 T CA -0.784 61.056 62.100 -0.435 0.000 1.000 492 T CB 2.087 70.844 68.868 -0.185 0.000 1.034 492 T HN 0.724 nan 8.240 nan 0.000 0.467 493 T N 0.093 114.442 114.554 -0.343 0.000 2.802 493 T HA 0.655 5.004 4.350 -0.003 0.000 0.311 493 T C -0.901 173.753 174.700 -0.078 0.000 1.405 493 T CA -0.249 61.726 62.100 -0.209 0.000 1.016 493 T CB 1.223 70.008 68.868 -0.137 0.000 1.352 493 T HN 1.206 nan 8.240 nan 0.000 0.498 494 A N 2.155 124.949 122.820 -0.043 0.000 2.462 494 A HA 0.561 4.879 4.320 -0.003 0.000 0.243 494 A C 0.059 177.636 177.584 -0.010 0.000 1.076 494 A CA 0.003 52.026 52.037 -0.022 0.000 0.773 494 A CB 0.025 19.017 19.000 -0.014 0.000 1.010 494 A HN 0.714 nan 8.150 nan 0.000 0.493 495 E N 0.567 120.756 120.200 -0.018 0.000 2.249 495 E HA 0.399 4.747 4.350 -0.003 0.000 0.280 495 E C 1.185 177.774 176.600 -0.019 0.000 1.016 495 E CA 0.496 56.879 56.400 -0.028 0.000 0.830 495 E CB 1.053 30.717 29.700 -0.060 0.000 1.081 495 E HN 0.678 nan 8.360 nan 0.000 0.395 496 T N -0.873 113.676 114.554 -0.007 0.000 3.010 496 T HA 0.040 4.388 4.350 -0.003 0.000 0.252 496 T C 0.864 175.577 174.700 0.022 0.000 1.047 496 T CA 0.554 62.661 62.100 0.011 0.000 1.140 496 T CB -0.287 68.591 68.868 0.016 0.000 0.885 496 T HN 0.496 nan 8.240 nan 0.000 0.464 497 T N 1.548 116.108 114.554 0.009 0.000 2.907 497 T HA 0.546 4.894 4.350 -0.003 0.000 0.284 497 T C -3.020 171.698 174.700 0.030 0.000 1.004 497 T CA -2.321 59.797 62.100 0.029 0.000 1.063 497 T CB 1.460 70.337 68.868 0.015 0.000 0.992 497 T HN 0.022 nan 8.240 nan 0.000 0.483 498 P HA 0.207 nan 4.420 nan 0.000 0.264 498 P C -0.746 176.628 177.300 0.123 0.000 1.193 498 P CA -0.041 63.185 63.100 0.211 0.000 0.763 498 P CB 0.307 32.221 31.700 0.357 0.000 0.810 499 T N 4.068 118.659 114.554 0.062 0.000 3.031 499 T HA 0.413 4.761 4.350 -0.003 0.000 0.305 499 T C 0.244 175.040 174.700 0.161 0.000 0.985 499 T CA -0.442 61.656 62.100 -0.003 0.000 1.008 499 T CB 0.634 69.300 68.868 -0.338 0.000 1.005 499 T HN 0.227 nan 8.240 nan 0.000 0.444 500 I N 2.514 123.236 120.570 0.253 0.000 2.416 500 I HA 0.381 4.549 4.170 -0.003 0.000 0.288 500 I C 1.370 177.652 176.117 0.275 0.000 1.051 500 I CA -0.008 61.446 61.300 0.257 0.000 1.375 500 I CB 1.171 39.270 38.000 0.165 0.000 1.407 500 I HN 0.915 nan 8.210 nan 0.000 0.516 501 G N 5.004 113.779 108.800 -0.041 0.000 2.709 501 G HA2 0.036 3.995 3.960 -0.003 0.000 0.208 501 G HA3 0.036 3.995 3.960 -0.003 0.000 0.208 501 G C 0.338 175.170 174.900 -0.113 0.000 1.129 501 G CA 0.305 45.206 45.100 -0.333 0.000 0.793 501 G HN 0.643 nan 8.290 nan 0.000 0.524 502 H N -1.094 117.734 119.070 -0.402 0.000 3.094 502 H HA 0.458 5.012 4.556 -0.003 0.000 0.346 502 H C -2.175 172.802 175.328 -0.584 0.000 1.238 502 H CA -0.302 55.541 56.048 -0.342 0.000 1.209 502 H CB 2.235 31.976 29.762 -0.035 0.000 1.911 502 H HN -0.102 nan 8.280 nan 0.000 0.540 503 V N 2.583 121.731 119.914 -1.277 0.000 2.577 503 V HA 0.620 4.739 4.120 -0.003 0.000 0.303 503 V C 0.082 175.850 176.094 -0.543 0.000 1.042 503 V CA -0.221 61.624 62.300 -0.757 0.000 0.872 503 V CB 1.630 33.014 31.823 -0.732 0.000 0.998 503 V HN 0.865 nan 8.190 nan 0.000 0.423 504 G N 5.436 114.141 108.800 -0.158 0.000 2.740 504 G HA2 0.757 4.715 3.960 -0.003 0.000 0.296 504 G HA3 0.757 4.715 3.960 -0.003 0.000 0.296 504 G C -3.250 171.638 174.900 -0.020 0.000 1.439 504 G CA -1.243 43.857 45.100 0.000 0.000 1.066 504 G HN 0.477 nan 8.290 nan 0.000 0.527 505 P HA 0.274 nan 4.420 nan 0.000 0.282 505 P C 0.765 177.950 177.300 -0.192 0.000 1.287 505 P CA -0.339 62.564 63.100 -0.328 0.000 0.792 505 P CB 1.728 32.770 31.700 -1.096 0.000 1.163 506 V N -3.445 116.302 119.914 -0.278 0.000 3.099 506 V HA 0.504 4.623 4.120 -0.003 0.000 0.356 506 V C 0.372 175.961 176.094 -0.842 0.000 1.364 506 V CA 0.135 62.168 62.300 -0.446 0.000 1.229 506 V CB -0.852 30.892 31.823 -0.131 0.000 1.227 506 V HN 0.456 nan 8.190 nan 0.000 0.493 507 M N 0.700 119.893 119.600 -0.679 0.000 2.414 507 M HA 0.762 5.240 4.480 -0.003 0.000 0.287 507 M C -0.660 175.523 176.300 -0.194 0.000 1.181 507 M CA 0.220 55.258 55.300 -0.437 0.000 0.933 507 M CB 2.189 34.706 32.600 -0.138 0.000 1.732 507 M HN 0.470 nan 8.290 nan 0.000 0.486 508 G N 2.970 111.734 108.800 -0.061 0.000 2.338 508 G HA2 0.316 4.274 3.960 -0.003 0.000 0.295 508 G HA3 0.316 4.274 3.960 -0.003 0.000 0.295 508 G C -2.394 172.553 174.900 0.078 0.000 1.461 508 G CA -0.967 44.170 45.100 0.063 0.000 0.817 508 G HN 0.909 nan 8.290 nan 0.000 0.556 509 K N -0.340 120.094 120.400 0.057 0.000 2.106 509 K HA 0.748 5.066 4.320 -0.003 0.000 0.246 509 K C -2.748 173.853 176.600 0.001 0.000 0.987 509 K CA -1.758 54.549 56.287 0.032 0.000 0.904 509 K CB 1.682 34.197 32.500 0.024 0.000 1.071 509 K HN 0.184 nan 8.250 nan 0.000 0.453 510 P HA 0.009 nan 4.420 nan 0.000 0.265 510 P C 0.396 177.659 177.300 -0.061 0.000 1.193 510 P CA 1.063 64.113 63.100 -0.083 0.000 0.765 510 P CB 0.770 32.422 31.700 -0.081 0.000 0.823 511 G N 2.003 110.755 108.800 -0.080 0.000 2.284 511 G HA2 -0.192 3.767 3.960 -0.003 0.000 0.216 511 G HA3 -0.192 3.767 3.960 -0.003 0.000 0.216 511 G C 0.341 175.218 174.900 -0.039 0.000 1.009 511 G CA -0.494 44.574 45.100 -0.055 0.000 0.625 511 G HN 0.504 nan 8.290 nan 0.000 0.501 512 N N 0.320 119.006 118.700 -0.023 0.000 2.482 512 N HA 0.482 5.220 4.740 -0.003 0.000 0.260 512 N C 0.074 175.579 175.510 -0.008 0.000 1.236 512 N CA 0.077 53.128 53.050 0.001 0.000 0.938 512 N CB 1.530 40.040 38.487 0.038 0.000 1.128 512 N HN 0.222 nan 8.380 nan 0.000 0.448 513 V N 1.693 121.607 119.914 -0.001 0.000 2.398 513 V HA 0.372 4.491 4.120 -0.003 0.000 0.286 513 V C 0.208 176.309 176.094 0.010 0.000 1.026 513 V CA -0.776 61.521 62.300 -0.005 0.000 0.868 513 V CB 1.288 33.102 31.823 -0.015 0.000 0.982 513 V HN 0.468 nan 8.190 nan 0.000 0.443 514 V N 2.166 122.094 119.914 0.024 0.000 2.881 514 V HA 0.776 4.894 4.120 -0.003 0.000 0.316 514 V C -0.069 176.015 176.094 -0.016 0.000 1.070 514 V CA -0.378 61.942 62.300 0.034 0.000 0.976 514 V CB 2.006 33.905 31.823 0.126 0.000 1.038 514 V HN 0.734 nan 8.190 nan 0.000 0.446 515 T N 4.470 119.009 114.554 -0.024 0.000 2.771 515 T HA 0.675 5.023 4.350 -0.003 0.000 0.281 515 T C -0.266 174.377 174.700 -0.096 0.000 0.982 515 T CA -0.037 62.033 62.100 -0.049 0.000 0.978 515 T CB 0.863 69.726 68.868 -0.008 0.000 0.930 515 T HN 0.631 nan 8.240 nan 0.000 0.447 516 I N 3.583 124.064 120.570 -0.149 0.000 2.354 516 I HA 0.322 4.490 4.170 -0.003 0.000 0.286 516 I C -0.436 175.640 176.117 -0.069 0.000 1.007 516 I CA -0.818 60.363 61.300 -0.199 0.000 1.167 516 I CB 1.211 39.003 38.000 -0.347 0.000 1.320 516 I HN 0.458 nan 8.210 nan 0.000 0.458 517 D N 4.894 125.254 120.400 -0.066 0.000 2.181 517 D HA 0.755 5.393 4.640 -0.003 0.000 0.248 517 D C 0.324 176.481 176.300 -0.238 0.000 1.020 517 D CA 0.035 53.980 54.000 -0.091 0.000 0.891 517 D CB 2.580 43.314 40.800 -0.110 0.000 1.187 517 D HN 0.766 nan 8.370 nan 0.000 0.443 518 G N 0.579 109.159 108.800 -0.367 0.000 2.441 518 G HA2 0.322 4.281 3.960 -0.003 0.000 0.225 518 G HA3 0.322 4.281 3.960 -0.003 0.000 0.225 518 G C -1.296 173.242 174.900 -0.603 0.000 1.200 518 G CA -0.617 44.175 45.100 -0.512 0.000 0.947 518 G HN 0.288 nan 8.290 nan 0.000 0.484 519 R N -0.978 119.122 120.500 -0.667 0.000 2.774 519 R HA 0.613 4.952 4.340 -0.003 0.000 0.272 519 R C 0.484 176.451 176.300 -0.556 0.000 1.000 519 R CA -0.106 55.710 56.100 -0.473 0.000 0.906 519 R CB 1.263 31.529 30.300 -0.056 0.000 1.227 519 R HN 2.186 nan 8.270 nan 0.000 0.468 520 G N 1.305 109.922 108.800 -0.305 0.000 2.249 520 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.273 520 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.273 520 G C 0.177 175.111 174.900 0.057 0.000 1.036 520 G CA 0.328 45.364 45.100 -0.106 0.000 0.824 520 G HN 0.438 nan 8.290 nan 0.000 0.504 521 F N 0.779 120.746 119.950 0.028 0.000 2.615 521 F HA 0.389 4.914 4.527 -0.003 0.000 0.297 521 F C 2.015 178.016 175.800 0.335 0.000 1.124 521 F CA 0.698 58.743 58.000 0.075 0.000 1.451 521 F CB -0.545 38.300 39.000 -0.259 0.000 1.103 521 F HN 1.052 nan 8.300 nan 0.000 0.569 522 G N 0.080 109.110 108.800 0.384 0.000 2.846 522 G HA2 -0.199 3.760 3.960 -0.003 0.000 0.660 522 G HA3 -0.199 3.760 3.960 -0.003 0.000 0.660 522 G C 0.702 175.861 174.900 0.432 0.000 1.464 522 G CA -0.025 45.270 45.100 0.325 0.000 0.891 522 G HN 0.411 nan 8.290 nan 0.000 0.552 523 S N -1.638 114.213 115.700 0.251 0.000 2.548 523 S HA 0.289 4.758 4.470 -0.003 0.000 0.215 523 S C 0.989 175.643 174.600 0.091 0.000 0.976 523 S CA 1.199 59.534 58.200 0.225 0.000 0.908 523 S CB 0.389 63.662 63.200 0.121 0.000 0.781 523 S HN 1.028 nan 8.310 nan 0.000 0.519 524 T N 3.254 117.787 114.554 -0.034 0.000 2.728 524 T HA 0.331 4.680 4.350 -0.003 0.000 0.296 524 T C -0.220 174.037 174.700 -0.739 0.000 0.940 524 T CA -0.447 61.503 62.100 -0.250 0.000 1.013 524 T CB 0.965 69.733 68.868 -0.167 0.000 0.912 524 T HN 0.249 nan 8.240 nan 0.000 0.484 525 K N 3.031 122.953 120.400 -0.797 0.000 2.440 525 K HA 0.224 4.542 4.320 -0.003 0.000 0.275 525 K C 0.902 176.804 176.600 -1.164 0.000 1.082 525 K CA 0.139 55.722 56.287 -1.173 0.000 1.135 525 K CB -0.187 32.019 32.500 -0.490 0.000 0.864 525 K HN 0.763 nan 8.250 nan 0.000 0.479 526 G N 1.740 109.384 108.800 -1.927 0.000 3.271 526 G HA2 0.310 4.268 3.960 -0.003 0.000 0.174 526 G HA3 0.310 4.268 3.960 -0.003 0.000 0.174 526 G C -0.759 173.862 174.900 -0.466 0.000 1.385 526 G CA -0.172 44.366 45.100 -0.938 0.000 0.979 526 G HN 0.594 nan 8.290 nan 0.000 0.610 527 T N -1.189 113.279 114.554 -0.144 0.000 2.886 527 T HA 0.543 4.891 4.350 -0.003 0.000 0.292 527 T C -1.336 173.318 174.700 -0.077 0.000 1.012 527 T CA -0.456 61.566 62.100 -0.130 0.000 0.982 527 T CB 1.575 70.287 68.868 -0.261 0.000 1.018 527 T HN 0.356 nan 8.240 nan 0.000 0.451 528 V N 5.441 125.265 119.914 -0.151 0.000 2.459 528 V HA 0.530 4.648 4.120 -0.003 0.000 0.295 528 V C -1.130 174.809 176.094 -0.259 0.000 1.029 528 V CA -0.760 61.452 62.300 -0.147 0.000 0.874 528 V CB 1.172 32.958 31.823 -0.061 0.000 0.985 528 V HN 0.885 nan 8.190 nan 0.000 0.438 529 Y N 3.619 123.868 120.300 -0.086 0.000 2.352 529 Y HA 0.599 5.147 4.550 -0.003 0.000 0.339 529 Y C -0.391 175.395 175.900 -0.189 0.000 0.992 529 Y CA -0.731 57.343 58.100 -0.044 0.000 1.100 529 Y CB 1.694 40.138 38.460 -0.027 0.000 1.192 529 Y HN 0.531 nan 8.280 nan 0.000 0.458 530 F N 2.625 122.604 119.950 0.049 0.000 2.451 530 F HA 0.520 5.046 4.527 -0.003 0.000 0.367 530 F C 0.844 176.707 175.800 0.105 0.000 1.100 530 F CA -0.175 57.787 58.000 -0.063 0.000 1.171 530 F CB 0.839 39.657 39.000 -0.304 0.000 1.405 530 F HN 0.792 nan 8.300 nan 0.000 0.482 531 G N 1.907 110.906 108.800 0.332 0.000 2.652 531 G HA2 -0.383 3.575 3.960 -0.003 0.000 0.278 531 G HA3 -0.383 3.575 3.960 -0.003 0.000 0.278 531 G C 1.109 176.150 174.900 0.234 0.000 1.263 531 G CA 0.484 45.798 45.100 0.357 0.000 0.966 531 G HN 0.685 nan 8.290 nan 0.000 0.544 532 T N -1.824 112.876 114.554 0.244 0.000 2.990 532 T HA 0.402 4.750 4.350 -0.003 0.000 0.250 532 T C 1.078 175.956 174.700 0.297 0.000 1.041 532 T CA 1.458 63.678 62.100 0.200 0.000 1.010 532 T CB 0.117 69.063 68.868 0.131 0.000 1.003 532 T HN 0.889 nan 8.240 nan 0.000 0.499 533 T N 3.455 118.164 114.554 0.257 0.000 2.799 533 T HA 0.582 4.930 4.350 -0.003 0.000 0.296 533 T C 0.255 175.053 174.700 0.163 0.000 0.947 533 T CA -0.290 61.914 62.100 0.173 0.000 1.141 533 T CB 0.641 69.554 68.868 0.076 0.000 0.891 533 T HN 0.561 nan 8.240 nan 0.000 0.533 534 A N 3.639 126.481 122.820 0.035 0.000 2.309 534 A HA 0.628 4.946 4.320 -0.003 0.000 0.298 534 A C -0.189 177.299 177.584 -0.161 0.000 1.165 534 A CA -0.638 51.249 52.037 -0.251 0.000 0.821 534 A CB 0.584 19.418 19.000 -0.276 0.000 1.102 534 A HN 0.685 nan 8.150 nan 0.000 0.500 535 V N 3.039 122.844 119.914 -0.182 0.000 2.409 535 V HA 0.660 4.778 4.120 -0.003 0.000 0.291 535 V C 0.271 176.301 176.094 -0.107 0.000 1.020 535 V CA 0.021 62.263 62.300 -0.097 0.000 0.848 535 V CB 1.199 33.013 31.823 -0.016 0.000 0.990 535 V HN 1.172 nan 8.190 nan 0.000 0.430 536 T N 0.916 115.414 114.554 -0.094 0.000 2.838 536 T HA 0.882 5.231 4.350 -0.003 0.000 0.292 536 T C 0.501 175.158 174.700 -0.072 0.000 1.113 536 T CA 0.056 62.100 62.100 -0.093 0.000 1.008 536 T CB 1.687 70.486 68.868 -0.115 0.000 1.259 536 T HN 1.635 nan 8.240 nan 0.000 0.520 537 G N 1.067 109.819 108.800 -0.079 0.000 2.583 537 G HA2 -0.048 3.911 3.960 -0.003 0.000 0.292 537 G HA3 -0.048 3.911 3.960 -0.003 0.000 0.292 537 G C 1.305 176.179 174.900 -0.043 0.000 1.203 537 G CA 1.180 46.241 45.100 -0.065 0.000 0.987 537 G HN 1.860 nan 8.290 nan 0.000 0.554 538 A N -0.280 122.516 122.820 -0.039 0.000 1.978 538 A HA 0.218 4.537 4.320 -0.003 0.000 0.220 538 A C 3.028 180.596 177.584 -0.027 0.000 1.170 538 A CA 3.593 55.612 52.037 -0.030 0.000 0.636 538 A CB -1.050 17.932 19.000 -0.031 0.000 0.810 538 A HN 2.317 nan 8.150 nan 0.000 0.448 539 A N -0.276 122.524 122.820 -0.035 0.000 1.978 539 A HA 0.019 4.338 4.320 -0.003 0.000 0.220 539 A C 1.167 178.740 177.584 -0.020 0.000 1.170 539 A CA 0.945 52.959 52.037 -0.040 0.000 0.636 539 A CB -0.484 18.481 19.000 -0.058 0.000 0.810 539 A HN 0.484 nan 8.150 nan 0.000 0.448 540 I N 1.763 122.335 120.570 0.003 0.000 2.260 540 I HA 0.015 4.183 4.170 -0.003 0.000 0.297 540 I C 1.735 177.878 176.117 0.043 0.000 1.143 540 I CA 0.252 61.580 61.300 0.047 0.000 1.271 540 I CB 0.719 38.789 38.000 0.116 0.000 1.461 540 I HN 0.386 nan 8.210 nan 0.000 0.530 541 T N 0.615 115.182 114.554 0.022 0.000 2.929 541 T HA -0.078 4.270 4.350 -0.003 0.000 0.271 541 T C 0.800 175.521 174.700 0.035 0.000 1.085 541 T CA 0.556 62.666 62.100 0.016 0.000 1.125 541 T CB 0.127 68.995 68.868 -0.001 0.000 0.874 541 T HN 0.470 nan 8.240 nan 0.000 0.494 542 S N -0.622 115.113 115.700 0.060 0.000 2.537 542 S HA 0.502 4.971 4.470 -0.003 0.000 0.271 542 S C -2.598 172.097 174.600 0.158 0.000 1.148 542 S CA -0.949 57.301 58.200 0.084 0.000 0.868 542 S CB 1.570 64.791 63.200 0.035 0.000 1.115 542 S HN 0.477 nan 8.310 nan 0.000 0.461 543 W N 4.421 125.707 121.300 -0.024 0.000 3.036 543 W HA 0.516 5.174 4.660 -0.003 0.000 0.337 543 W C -1.336 175.196 176.519 0.021 0.000 1.055 543 W CA -0.421 56.915 57.345 -0.015 0.000 1.248 543 W CB 1.316 30.754 29.460 -0.037 0.000 1.335 543 W HN 0.880 nan 8.180 nan 0.000 0.446 544 E N 1.793 122.044 120.200 0.086 0.000 2.445 544 E HA 0.067 4.416 4.350 -0.003 0.000 0.273 544 E C -0.145 176.522 176.600 0.112 0.000 0.961 544 E CA -0.546 55.944 56.400 0.151 0.000 0.807 544 E CB 2.271 32.013 29.700 0.070 0.000 1.362 544 E HN 0.322 nan 8.360 nan 0.000 0.453 545 D N -0.446 120.029 120.400 0.124 0.000 2.218 545 D HA -0.126 4.512 4.640 -0.003 0.000 0.204 545 D C 1.388 177.626 176.300 -0.104 0.000 0.976 545 D CA 1.952 55.998 54.000 0.076 0.000 0.853 545 D CB 0.306 41.131 40.800 0.042 0.000 0.939 545 D HN 0.445 nan 8.370 nan 0.000 0.481 546 T N -3.767 110.741 114.554 -0.078 0.000 3.003 546 T HA 0.166 4.514 4.350 -0.003 0.000 0.261 546 T C 0.477 175.149 174.700 -0.047 0.000 1.003 546 T CA -0.584 61.413 62.100 -0.172 0.000 0.917 546 T CB 0.497 69.300 68.868 -0.108 0.000 1.084 546 T HN 0.112 nan 8.240 nan 0.000 0.522 547 Q N 0.256 120.091 119.800 0.058 0.000 2.320 547 Q HA 0.629 4.967 4.340 -0.003 0.000 0.272 547 Q C -2.238 173.693 176.000 -0.116 0.000 1.023 547 Q CA -0.868 54.948 55.803 0.021 0.000 0.855 547 Q CB 2.054 30.777 28.738 -0.025 0.000 1.367 547 Q HN 0.433 nan 8.270 nan 0.000 0.406 548 I N 3.529 123.961 120.570 -0.231 0.000 2.468 548 I HA 0.389 4.557 4.170 -0.003 0.000 0.285 548 I C -0.715 175.281 176.117 -0.200 0.000 1.039 548 I CA -0.869 60.213 61.300 -0.363 0.000 1.074 548 I CB 1.729 39.267 38.000 -0.770 0.000 1.228 548 I HN 0.318 nan 8.210 nan 0.000 0.436 549 K N 5.735 126.073 120.400 -0.102 0.000 2.234 549 K HA 0.615 4.933 4.320 -0.003 0.000 0.277 549 K C -0.894 175.683 176.600 -0.038 0.000 1.038 549 K CA -0.472 55.780 56.287 -0.059 0.000 0.888 549 K CB 2.658 35.140 32.500 -0.030 0.000 1.091 549 K HN 0.374 nan 8.250 nan 0.000 0.467 550 V N 2.146 122.040 119.914 -0.034 0.000 2.925 550 V HA 0.361 4.480 4.120 -0.003 0.000 0.311 550 V C -0.807 175.280 176.094 -0.011 0.000 1.104 550 V CA -0.500 61.797 62.300 -0.005 0.000 0.954 550 V CB 2.500 34.335 31.823 0.019 0.000 1.022 550 V HN 0.789 nan 8.190 nan 0.000 0.427 551 T N 6.842 121.371 114.554 -0.042 0.000 2.856 551 T HA 0.500 4.848 4.350 -0.003 0.000 0.292 551 T C 0.146 174.719 174.700 -0.212 0.000 0.980 551 T CA 0.014 62.059 62.100 -0.090 0.000 1.091 551 T CB 0.587 69.405 68.868 -0.083 0.000 0.936 551 T HN 0.535 nan 8.240 nan 0.000 0.503 552 I N 6.845 127.257 120.570 -0.264 0.000 2.581 552 I HA 0.125 4.293 4.170 -0.003 0.000 0.285 552 I C -1.466 174.375 176.117 -0.460 0.000 1.129 552 I CA -1.777 59.205 61.300 -0.530 0.000 1.397 552 I CB 0.420 38.243 38.000 -0.294 0.000 1.399 552 I HN 0.362 nan 8.210 nan 0.000 0.537 553 P HA 0.005 nan 4.420 nan 0.000 0.271 553 P C -0.462 176.673 177.300 -0.275 0.000 1.233 553 P CA -0.352 62.524 63.100 -0.375 0.000 0.789 553 P CB 0.562 32.028 31.700 -0.390 0.000 0.951 554 S N 0.157 115.755 115.700 -0.169 0.000 4.120 554 S HA 0.244 4.712 4.470 -0.003 0.000 0.196 554 S C 0.645 175.195 174.600 -0.084 0.000 1.447 554 S CA -0.627 57.508 58.200 -0.108 0.000 0.939 554 S CB -1.171 61.988 63.200 -0.068 0.000 1.496 554 S HN 0.327 nan 8.310 nan 0.000 0.460 555 V N -0.571 119.276 119.914 -0.112 0.000 3.267 555 V HA 0.928 5.047 4.120 -0.003 0.000 0.317 555 V C 0.438 176.552 176.094 0.034 0.000 1.131 555 V CA -1.560 60.711 62.300 -0.048 0.000 1.031 555 V CB 0.653 32.406 31.823 -0.115 0.000 1.159 555 V HN 0.451 nan 8.190 nan 0.000 0.454 556 A N 0.754 123.650 122.820 0.128 0.000 2.498 556 A HA 0.657 4.976 4.320 -0.003 0.000 0.239 556 A C 0.744 178.473 177.584 0.242 0.000 1.068 556 A CA 0.228 52.361 52.037 0.161 0.000 0.766 556 A CB -0.434 18.665 19.000 0.165 0.000 1.003 556 A HN 2.162 nan 8.150 nan 0.000 0.497 557 A N 1.489 124.414 122.820 0.174 0.000 2.498 557 A HA 0.593 4.911 4.320 -0.003 0.000 0.239 557 A C 0.910 178.627 177.584 0.222 0.000 1.068 557 A CA 0.760 52.915 52.037 0.195 0.000 0.766 557 A CB -0.249 18.819 19.000 0.113 0.000 1.003 557 A HN 2.571 nan 8.150 nan 0.000 0.497 558 G N 0.756 109.725 108.800 0.282 0.000 2.327 558 G HA2 0.329 4.288 3.960 -0.003 0.000 0.291 558 G HA3 0.329 4.288 3.960 -0.003 0.000 0.291 558 G C -1.162 173.810 174.900 0.120 0.000 1.290 558 G CA -0.479 44.686 45.100 0.108 0.000 0.857 558 G HN 0.961 nan 8.290 nan 0.000 0.520 559 N N -0.614 118.033 118.700 -0.087 0.000 2.434 559 N HA 0.684 5.423 4.740 -0.003 0.000 0.272 559 N C -1.281 174.131 175.510 -0.163 0.000 1.040 559 N CA -0.235 52.812 53.050 -0.004 0.000 0.956 559 N CB 0.618 39.093 38.487 -0.020 0.000 1.108 559 N HN 0.455 nan 8.380 nan 0.000 0.481 560 Y N 0.886 121.313 120.300 0.212 0.000 2.576 560 Y HA 0.675 5.224 4.550 -0.003 0.000 0.346 560 Y C -0.084 175.926 175.900 0.183 0.000 1.018 560 Y CA -1.159 57.066 58.100 0.208 0.000 1.050 560 Y CB 1.942 40.576 38.460 0.290 0.000 1.280 560 Y HN 0.538 nan 8.280 nan 0.000 0.474 561 A N 1.133 124.119 122.820 0.277 0.000 2.325 561 A HA 0.800 5.119 4.320 -0.003 0.000 0.333 561 A C -1.423 176.193 177.584 0.053 0.000 1.155 561 A CA -0.659 51.469 52.037 0.152 0.000 0.814 561 A CB 0.804 19.858 19.000 0.090 0.000 1.206 561 A HN 0.476 nan 8.150 nan 0.000 0.482 562 V N 2.562 122.457 119.914 -0.032 0.000 2.417 562 V HA 0.440 4.559 4.120 -0.003 0.000 0.291 562 V C -0.043 175.977 176.094 -0.123 0.000 1.024 562 V CA -0.432 61.710 62.300 -0.263 0.000 0.861 562 V CB 1.301 32.840 31.823 -0.474 0.000 0.985 562 V HN 0.946 nan 8.190 nan 0.000 0.436 563 K N 3.060 123.399 120.400 -0.102 0.000 2.395 563 K HA 0.845 5.164 4.320 -0.003 0.000 0.247 563 K C -1.595 175.011 176.600 0.010 0.000 0.973 563 K CA -0.854 55.430 56.287 -0.005 0.000 0.828 563 K CB 2.904 35.427 32.500 0.037 0.000 1.272 563 K HN 0.372 nan 8.250 nan 0.000 0.439 564 V N 1.211 121.135 119.914 0.015 0.000 2.588 564 V HA 0.589 4.707 4.120 -0.003 0.000 0.304 564 V C -1.090 175.091 176.094 0.145 0.000 1.042 564 V CA -0.775 61.519 62.300 -0.010 0.000 0.877 564 V CB 1.693 33.326 31.823 -0.316 0.000 0.996 564 V HN 0.901 nan 8.190 nan 0.000 0.425 565 A N 4.003 126.963 122.820 0.233 0.000 2.291 565 A HA 0.901 5.220 4.320 -0.003 0.000 0.311 565 A C -0.141 177.582 177.584 0.233 0.000 1.224 565 A CA -0.283 51.897 52.037 0.238 0.000 0.821 565 A CB 1.093 20.282 19.000 0.316 0.000 1.172 565 A HN 1.314 nan 8.150 nan 0.000 0.494 566 A N 2.085 125.042 122.820 0.228 0.000 2.310 566 A HA 0.669 4.987 4.320 -0.003 0.000 0.304 566 A C 0.490 178.148 177.584 0.122 0.000 1.231 566 A CA -0.067 52.104 52.037 0.224 0.000 0.799 566 A CB -0.004 19.235 19.000 0.399 0.000 1.162 566 A HN 1.920 nan 8.150 nan 0.000 0.486 567 S N 1.390 117.118 115.700 0.048 0.000 3.783 567 S HA -0.112 4.357 4.470 -0.003 0.000 0.360 567 S C 1.422 176.046 174.600 0.039 0.000 1.006 567 S CA 1.550 59.766 58.200 0.028 0.000 1.115 567 S CB -1.567 61.656 63.200 0.037 0.000 0.893 567 S HN 2.793 nan 8.310 nan 0.000 0.475 568 G N -1.632 107.195 108.800 0.045 0.000 2.189 568 G HA2 -0.327 3.632 3.960 -0.003 0.000 0.267 568 G HA3 -0.327 3.632 3.960 -0.003 0.000 0.267 568 G C 0.140 175.076 174.900 0.060 0.000 0.975 568 G CA 0.239 45.369 45.100 0.050 0.000 0.644 568 G HN 1.460 nan 8.290 nan 0.000 0.537 569 V N 0.979 120.937 119.914 0.074 0.000 2.407 569 V HA 0.503 4.622 4.120 -0.003 0.000 0.278 569 V C 0.091 176.240 176.094 0.092 0.000 1.037 569 V CA -1.266 61.077 62.300 0.071 0.000 0.900 569 V CB 1.580 33.445 31.823 0.071 0.000 0.983 569 V HN 0.254 nan 8.190 nan 0.000 0.459 570 N N 2.699 121.438 118.700 0.066 0.000 2.455 570 N HA 0.365 5.104 4.740 -0.003 0.000 0.280 570 N C 0.292 175.838 175.510 0.060 0.000 1.055 570 N CA -0.084 53.004 53.050 0.063 0.000 0.961 570 N CB 1.611 40.105 38.487 0.011 0.000 1.121 570 N HN 0.906 nan 8.380 nan 0.000 0.476 571 S N 1.608 117.356 115.700 0.081 0.000 2.652 571 S HA 0.293 4.762 4.470 -0.003 0.000 0.267 571 S C 0.395 175.026 174.600 0.052 0.000 1.201 571 S CA -0.879 57.370 58.200 0.080 0.000 0.996 571 S CB 0.429 63.708 63.200 0.131 0.000 1.054 571 S HN 0.624 nan 8.310 nan 0.000 0.561 572 N N 0.447 119.180 118.700 0.055 0.000 2.399 572 N HA 0.315 5.054 4.740 -0.003 0.000 0.250 572 N C -0.565 174.985 175.510 0.067 0.000 1.272 572 N CA -0.351 52.729 53.050 0.049 0.000 0.928 572 N CB 0.504 39.023 38.487 0.053 0.000 1.158 572 N HN 0.867 nan 8.380 nan 0.000 0.463 573 A N 0.708 123.561 122.820 0.055 0.000 2.274 573 A HA 0.261 4.579 4.320 -0.003 0.000 0.309 573 A C -1.226 176.418 177.584 0.100 0.000 1.226 573 A CA -0.653 51.421 52.037 0.062 0.000 0.853 573 A CB -0.109 18.909 19.000 0.030 0.000 1.146 573 A HN 0.705 nan 8.150 nan 0.000 0.518 574 Y N 4.253 124.549 120.300 -0.007 0.000 2.477 574 Y HA 0.177 4.726 4.550 -0.003 0.000 0.349 574 Y C 0.401 176.320 175.900 0.033 0.000 0.977 574 Y CA -0.268 57.839 58.100 0.011 0.000 1.214 574 Y CB 0.324 38.773 38.460 -0.018 0.000 1.124 574 Y HN 0.731 nan 8.280 nan 0.000 0.521 575 N N 3.781 122.436 118.700 -0.075 0.000 2.381 575 N HA 0.061 4.799 4.740 -0.003 0.000 0.254 575 N C -0.511 175.029 175.510 0.050 0.000 1.264 575 N CA -0.064 52.987 53.050 0.003 0.000 0.942 575 N CB 0.306 38.772 38.487 -0.035 0.000 1.190 575 N HN 0.741 nan 8.380 nan 0.000 0.495 576 N N -0.700 118.055 118.700 0.092 0.000 2.727 576 N HA -0.244 4.495 4.740 -0.003 0.000 0.251 576 N C -1.390 174.220 175.510 0.168 0.000 1.040 576 N CA 0.185 53.297 53.050 0.102 0.000 0.712 576 N CB -1.333 37.176 38.487 0.037 0.000 0.912 576 N HN 0.382 nan 8.380 nan 0.000 0.545 577 F N 1.071 121.107 119.950 0.143 0.000 2.410 577 F HA 0.365 4.891 4.527 -0.003 0.000 0.349 577 F C 0.413 176.338 175.800 0.209 0.000 1.117 577 F CA -0.312 57.793 58.000 0.174 0.000 1.104 577 F CB 1.048 40.163 39.000 0.191 0.000 1.122 577 F HN -0.075 nan 8.300 nan 0.000 0.483 578 T N 7.783 122.169 114.554 -0.280 0.000 2.744 578 T HA 0.475 4.823 4.350 -0.003 0.000 0.291 578 T C -0.008 174.703 174.700 0.018 0.000 0.957 578 T CA -0.278 61.795 62.100 -0.044 0.000 1.002 578 T CB 0.413 69.227 68.868 -0.091 0.000 0.919 578 T HN 0.376 nan 8.240 nan 0.000 0.468 579 I N 4.497 125.234 120.570 0.278 0.000 2.339 579 I HA 0.354 4.523 4.170 -0.003 0.000 0.290 579 I C 0.013 176.223 176.117 0.156 0.000 0.994 579 I CA -0.737 60.715 61.300 0.252 0.000 1.191 579 I CB 1.197 39.357 38.000 0.267 0.000 1.343 579 I HN 0.365 nan 8.210 nan 0.000 0.458 580 L N 4.993 126.271 121.223 0.092 0.000 2.439 580 L HA 0.321 4.659 4.340 -0.003 0.000 0.259 580 L C 1.492 178.399 176.870 0.062 0.000 1.129 580 L CA -0.327 54.553 54.840 0.066 0.000 0.803 580 L CB 0.917 43.002 42.059 0.043 0.000 1.161 580 L HN 0.567 nan 8.230 nan 0.000 0.462 581 T N -0.209 114.377 114.554 0.054 0.000 2.904 581 T HA 0.136 4.484 4.350 -0.003 0.000 0.267 581 T C 0.607 175.329 174.700 0.036 0.000 1.059 581 T CA 1.011 63.140 62.100 0.049 0.000 1.137 581 T CB 0.090 68.987 68.868 0.049 0.000 0.879 581 T HN 0.896 nan 8.240 nan 0.000 0.467 582 G N 0.202 109.022 108.800 0.033 0.000 2.452 582 G HA2 0.252 4.211 3.960 -0.003 0.000 0.224 582 G HA3 0.252 4.211 3.960 -0.003 0.000 0.224 582 G C -2.093 172.823 174.900 0.026 0.000 1.208 582 G CA -0.838 44.277 45.100 0.025 0.000 0.946 582 G HN 0.034 nan 8.290 nan 0.000 0.481 583 D N 1.242 121.656 120.400 0.023 0.000 2.423 583 D HA 0.365 5.003 4.640 -0.003 0.000 0.238 583 D C 0.114 176.431 176.300 0.028 0.000 1.142 583 D CA 0.484 54.497 54.000 0.022 0.000 0.884 583 D CB 0.900 41.712 40.800 0.022 0.000 1.199 583 D HN 0.219 nan 8.370 nan 0.000 0.438 584 Q N 0.332 120.145 119.800 0.021 0.000 2.257 584 Q HA 0.601 4.940 4.340 -0.003 0.000 0.262 584 Q C -0.208 175.820 176.000 0.046 0.000 0.997 584 Q CA -0.966 54.855 55.803 0.031 0.000 0.873 584 Q CB 2.227 30.970 28.738 0.009 0.000 1.312 584 Q HN 0.340 nan 8.270 nan 0.000 0.450 585 V N -2.196 117.764 119.914 0.077 0.000 3.049 585 V HA 0.687 4.806 4.120 -0.003 0.000 0.309 585 V C -0.453 175.727 176.094 0.143 0.000 1.148 585 V CA -0.865 61.501 62.300 0.109 0.000 0.990 585 V CB 2.011 33.904 31.823 0.117 0.000 1.039 585 V HN 0.668 nan 8.190 nan 0.000 0.430 586 T N 2.688 117.354 114.554 0.187 0.000 2.744 586 T HA 0.673 5.021 4.350 -0.003 0.000 0.291 586 T C -0.316 174.517 174.700 0.222 0.000 0.957 586 T CA -0.277 61.963 62.100 0.232 0.000 1.002 586 T CB 1.192 70.264 68.868 0.340 0.000 0.919 586 T HN 0.726 nan 8.240 nan 0.000 0.468 587 V N 3.925 123.968 119.914 0.214 0.000 2.555 587 V HA 0.513 4.632 4.120 -0.003 0.000 0.302 587 V C 0.187 176.361 176.094 0.133 0.000 1.038 587 V CA -1.103 61.258 62.300 0.102 0.000 0.887 587 V CB 1.912 33.718 31.823 -0.028 0.000 0.991 587 V HN 0.737 nan 8.190 nan 0.000 0.434 588 R N 3.509 124.033 120.500 0.040 0.000 2.207 588 R HA 0.473 4.811 4.340 -0.003 0.000 0.334 588 R C -1.529 174.778 176.300 0.013 0.000 1.013 588 R CA -0.368 55.826 56.100 0.157 0.000 0.858 588 R CB 0.460 30.863 30.300 0.172 0.000 1.094 588 R HN 0.506 nan 8.270 nan 0.000 0.457 589 F N 4.246 124.246 119.950 0.082 0.000 2.405 589 F HA 0.314 4.839 4.527 -0.003 0.000 0.355 589 F C -0.087 175.826 175.800 0.189 0.000 1.121 589 F CA -0.496 57.544 58.000 0.067 0.000 1.112 589 F CB 1.711 40.741 39.000 0.050 0.000 1.126 589 F HN 0.109 nan 8.300 nan 0.000 0.481 590 V N 4.783 124.820 119.914 0.206 0.000 2.495 590 V HA 0.580 4.699 4.120 -0.003 0.000 0.298 590 V C -0.823 175.272 176.094 0.002 0.000 1.031 590 V CA -0.921 61.416 62.300 0.061 0.000 0.871 590 V CB 2.003 33.707 31.823 -0.200 0.000 0.988 590 V HN 0.502 nan 8.190 nan 0.000 0.432 591 V N 5.522 125.377 119.914 -0.098 0.000 2.531 591 V HA 0.602 4.721 4.120 -0.003 0.000 0.301 591 V C -0.552 175.498 176.094 -0.073 0.000 1.034 591 V CA -0.464 61.698 62.300 -0.229 0.000 0.865 591 V CB 1.954 33.282 31.823 -0.824 0.000 0.995 591 V HN 0.931 nan 8.190 nan 0.000 0.424 592 N N 4.670 123.355 118.700 -0.025 0.000 2.489 592 N HA 0.417 5.155 4.740 -0.003 0.000 0.284 592 N C 0.018 175.559 175.510 0.053 0.000 1.158 592 N CA -0.265 52.793 53.050 0.013 0.000 0.965 592 N CB 0.910 39.402 38.487 0.008 0.000 1.195 592 N HN 0.792 nan 8.380 nan 0.000 0.506 593 N N -0.758 117.949 118.700 0.011 0.000 2.735 593 N HA -0.189 4.550 4.740 -0.003 0.000 0.248 593 N C -0.851 174.618 175.510 -0.068 0.000 1.083 593 N CA 0.536 53.578 53.050 -0.013 0.000 0.703 593 N CB -1.166 37.353 38.487 0.053 0.000 1.005 593 N HN 0.628 nan 8.380 nan 0.000 0.550 594 A N 0.370 123.123 122.820 -0.112 0.000 3.095 594 A HA 0.422 4.740 4.320 -0.003 0.000 0.301 594 A C 0.761 178.211 177.584 -0.222 0.000 1.432 594 A CA -0.180 51.631 52.037 -0.377 0.000 1.140 594 A CB 0.022 18.743 19.000 -0.466 0.000 1.174 594 A HN 0.343 nan 8.150 nan 0.000 0.546 595 S N 1.303 116.853 115.700 -0.250 0.000 2.564 595 S HA 0.548 5.017 4.470 -0.003 0.000 0.278 595 S C 0.453 175.068 174.600 0.025 0.000 1.333 595 S CA 0.333 58.501 58.200 -0.053 0.000 1.048 595 S CB 0.706 63.881 63.200 -0.041 0.000 0.900 595 S HN 1.021 nan 8.310 nan 0.000 0.505 596 T N -0.265 114.469 114.554 0.300 0.000 2.858 596 T HA 0.685 5.033 4.350 -0.003 0.000 0.285 596 T C -0.117 174.657 174.700 0.125 0.000 1.052 596 T CA -0.825 61.362 62.100 0.146 0.000 1.009 596 T CB 1.104 70.094 68.868 0.203 0.000 1.241 596 T HN 0.587 nan 8.240 nan 0.000 0.542 597 T N 1.341 115.935 114.554 0.068 0.000 2.944 597 T HA 0.527 4.875 4.350 -0.003 0.000 0.284 597 T C -0.164 174.560 174.700 0.041 0.000 1.010 597 T CA -0.650 61.479 62.100 0.049 0.000 1.025 597 T CB 0.976 69.866 68.868 0.037 0.000 1.079 597 T HN 0.694 nan 8.240 nan 0.000 0.516 598 L N 2.396 123.633 121.223 0.023 0.000 2.559 598 L HA 0.374 4.712 4.340 -0.003 0.000 0.274 598 L C 1.302 178.188 176.870 0.027 0.000 1.205 598 L CA 1.690 56.537 54.840 0.012 0.000 0.907 598 L CB -0.706 41.356 42.059 0.006 0.000 1.153 598 L HN 0.963 nan 8.230 nan 0.000 0.490 599 G N 2.692 111.511 108.800 0.032 0.000 2.184 599 G HA2 -0.335 3.624 3.960 -0.003 0.000 0.264 599 G HA3 -0.335 3.624 3.960 -0.003 0.000 0.264 599 G C 0.303 175.243 174.900 0.067 0.000 0.975 599 G CA 0.487 45.616 45.100 0.047 0.000 0.642 599 G HN 0.844 nan 8.290 nan 0.000 0.536 600 Q N 0.181 120.024 119.800 0.071 0.000 2.278 600 Q HA 0.569 4.907 4.340 -0.003 0.000 0.257 600 Q C 0.005 176.055 176.000 0.084 0.000 0.928 600 Q CA -0.531 55.315 55.803 0.070 0.000 0.932 600 Q CB 0.410 29.174 28.738 0.044 0.000 1.221 600 Q HN 0.490 nan 8.270 nan 0.000 0.434 601 N N 2.168 120.909 118.700 0.069 0.000 2.432 601 N HA 0.489 5.228 4.740 -0.003 0.000 0.292 601 N C -1.647 173.685 175.510 -0.298 0.000 1.193 601 N CA -0.635 52.389 53.050 -0.043 0.000 0.878 601 N CB 1.176 39.642 38.487 -0.036 0.000 1.252 601 N HN 0.399 nan 8.380 nan 0.000 0.520 602 L N 2.186 122.958 121.223 -0.751 0.000 2.307 602 L HA 0.496 4.834 4.340 -0.003 0.000 0.284 602 L C -1.499 174.917 176.870 -0.756 0.000 1.023 602 L CA -0.182 54.170 54.840 -0.813 0.000 0.810 602 L CB 0.321 41.519 42.059 -1.435 0.000 1.231 602 L HN 0.525 nan 8.230 nan 0.000 0.423 603 Y N 3.986 123.848 120.300 -0.731 0.000 2.659 603 Y HA 0.740 5.289 4.550 -0.002 0.000 0.333 603 Y C -0.769 174.677 175.900 -0.757 0.000 1.064 603 Y CA -0.932 56.644 58.100 -0.874 0.000 1.141 603 Y CB 1.848 39.498 38.460 -1.349 0.000 1.316 603 Y HN 0.456 nan 8.280 nan 0.000 0.509 604 L N 0.572 121.520 121.223 -0.459 0.000 2.422 604 L HA 0.852 5.190 4.340 -0.003 0.000 0.264 604 L C -0.779 175.950 176.870 -0.236 0.000 0.984 604 L CA -0.018 54.516 54.840 -0.512 0.000 0.819 604 L CB 2.335 43.908 42.059 -0.811 0.000 1.330 604 L HN 0.691 nan 8.230 nan 0.000 0.410 605 T N 2.225 116.719 114.554 -0.101 0.000 2.821 605 T HA 0.917 5.265 4.350 -0.003 0.000 0.306 605 T C -0.761 173.757 174.700 -0.304 0.000 1.313 605 T CA 0.079 62.136 62.100 -0.072 0.000 1.012 605 T CB 1.494 70.484 68.868 0.203 0.000 1.298 605 T HN 1.161 nan 8.240 nan 0.000 0.502 606 G N 1.315 109.724 108.800 -0.651 0.000 2.634 606 G HA2 0.360 4.318 3.960 -0.003 0.000 0.309 606 G HA3 0.360 4.318 3.960 -0.003 0.000 0.309 606 G C -0.198 173.943 174.900 -1.265 0.000 1.299 606 G CA -0.137 44.293 45.100 -1.116 0.000 0.798 606 G HN 0.749 nan 8.290 nan 0.000 0.490 607 N N -0.650 117.610 118.700 -0.733 0.000 2.501 607 N HA 0.044 4.782 4.740 -0.003 0.000 0.195 607 N C 0.524 175.968 175.510 -0.109 0.000 1.213 607 N CA 0.712 53.586 53.050 -0.294 0.000 0.864 607 N CB -0.022 38.558 38.487 0.155 0.000 0.999 607 N HN 0.859 nan 8.380 nan 0.000 0.454 608 V N -4.933 114.900 119.914 -0.135 0.000 3.001 608 V HA 0.817 4.936 4.120 -0.003 0.000 0.314 608 V C 1.278 177.340 176.094 -0.054 0.000 1.099 608 V CA -0.716 61.559 62.300 -0.042 0.000 0.989 608 V CB 1.088 32.913 31.823 0.004 0.000 1.040 608 V HN -0.042 nan 8.190 nan 0.000 0.434 609 A N 0.665 123.482 122.820 -0.006 0.000 1.940 609 A HA -0.136 4.183 4.320 -0.003 0.000 0.219 609 A C 1.708 179.285 177.584 -0.012 0.000 1.176 609 A CA 2.180 54.217 52.037 0.001 0.000 0.631 609 A CB -0.791 18.233 19.000 0.039 0.000 0.814 609 A HN 1.045 nan 8.150 nan 0.000 0.446 610 E N -0.342 119.854 120.200 -0.006 0.000 2.265 610 E HA -0.060 4.288 4.350 -0.003 0.000 0.196 610 E C 1.428 177.999 176.600 -0.047 0.000 0.996 610 E CA 0.754 57.149 56.400 -0.009 0.000 0.832 610 E CB -0.171 29.539 29.700 0.016 0.000 0.756 610 E HN 0.650 nan 8.360 nan 0.000 0.491 611 L N -1.605 119.564 121.223 -0.090 0.000 2.640 611 L HA 0.285 4.624 4.340 -0.003 0.000 0.230 611 L C 1.162 177.949 176.870 -0.138 0.000 1.123 611 L CA 0.329 55.072 54.840 -0.161 0.000 0.900 611 L CB 0.407 42.323 42.059 -0.238 0.000 1.146 611 L HN 0.348 nan 8.230 nan 0.000 0.484 612 G N -0.207 108.540 108.800 -0.088 0.000 2.179 612 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.220 612 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.220 612 G C 0.324 175.201 174.900 -0.039 0.000 0.990 612 G CA -0.076 44.997 45.100 -0.045 0.000 0.646 612 G HN 0.308 nan 8.290 nan 0.000 0.517 613 N N -0.893 117.742 118.700 -0.110 0.000 2.696 613 N HA -0.203 4.536 4.740 -0.003 0.000 0.256 613 N C 0.783 176.331 175.510 0.064 0.000 1.031 613 N CA 1.742 54.745 53.050 -0.079 0.000 0.730 613 N CB -1.675 36.826 38.487 0.023 0.000 0.894 613 N HN 1.223 nan 8.380 nan 0.000 0.544 614 W N -2.490 118.874 121.300 0.106 0.000 3.520 614 W HA -0.297 4.361 4.660 -0.003 0.000 0.305 614 W C 0.926 177.542 176.519 0.162 0.000 1.150 614 W CA 0.754 58.190 57.345 0.152 0.000 0.656 614 W CB -1.820 27.680 29.460 0.068 0.000 2.198 614 W HN 0.352 nan 8.180 nan 0.000 1.417 615 S N 0.239 116.080 115.700 0.235 0.000 2.617 615 S HA 0.512 4.981 4.470 -0.003 0.000 0.269 615 S C 1.189 175.822 174.600 0.056 0.000 1.292 615 S CA 0.392 58.672 58.200 0.135 0.000 1.010 615 S CB 1.119 64.359 63.200 0.066 0.000 0.944 615 S HN 0.280 nan 8.310 nan 0.000 0.536 616 T N 0.420 114.925 114.554 -0.082 0.000 3.145 616 T HA 0.429 4.777 4.350 -0.003 0.000 0.281 616 T C 0.801 175.419 174.700 -0.136 0.000 1.003 616 T CA 0.021 61.931 62.100 -0.318 0.000 0.901 616 T CB 0.078 68.530 68.868 -0.694 0.000 1.112 616 T HN 0.595 nan 8.240 nan 0.000 0.535 617 G N 1.852 110.616 108.800 -0.060 0.000 2.829 617 G HA2 0.380 4.339 3.960 -0.003 0.000 0.173 617 G HA3 0.380 4.339 3.960 -0.003 0.000 0.173 617 G C 1.192 176.072 174.900 -0.033 0.000 1.476 617 G CA 0.132 45.200 45.100 -0.053 0.000 1.072 617 G HN 0.383 nan 8.290 nan 0.000 0.577 618 S N -0.876 114.813 115.700 -0.017 0.000 2.555 618 S HA -0.081 4.387 4.470 -0.003 0.000 0.230 618 S C 1.808 176.416 174.600 0.012 0.000 0.978 618 S CA 1.681 59.882 58.200 0.001 0.000 0.934 618 S CB -0.493 62.708 63.200 0.002 0.000 0.766 618 S HN 0.691 nan 8.310 nan 0.000 0.533 619 T N -1.038 113.522 114.554 0.010 0.000 3.060 619 T HA 0.574 4.923 4.350 -0.003 0.000 0.249 619 T C 0.746 175.453 174.700 0.012 0.000 1.079 619 T CA 0.155 62.260 62.100 0.009 0.000 1.013 619 T CB -0.161 68.710 68.868 0.005 0.000 0.975 619 T HN 0.525 nan 8.240 nan 0.000 0.518 620 A N 1.990 124.832 122.820 0.036 0.000 2.366 620 A HA 0.571 4.889 4.320 -0.003 0.000 0.249 620 A C 0.280 177.874 177.584 0.017 0.000 1.084 620 A CA -0.597 51.477 52.037 0.063 0.000 0.794 620 A CB 0.004 19.119 19.000 0.192 0.000 1.034 620 A HN 0.384 nan 8.150 nan 0.000 0.491 621 I N 1.395 121.921 120.570 -0.073 0.000 2.342 621 I HA 0.584 4.752 4.170 -0.003 0.000 0.291 621 I C 0.912 176.822 176.117 -0.345 0.000 1.010 621 I CA 1.040 62.224 61.300 -0.193 0.000 1.308 621 I CB -0.235 37.607 38.000 -0.263 0.000 1.400 621 I HN 0.999 nan 8.210 nan 0.000 0.488 622 G N 8.428 116.918 108.800 -0.517 0.000 2.362 622 G HA2 0.147 4.105 3.960 -0.003 0.000 0.288 622 G HA3 0.147 4.105 3.960 -0.003 0.000 0.288 622 G C -3.195 171.377 174.900 -0.547 0.000 1.305 622 G CA -0.843 43.748 45.100 -0.848 0.000 0.910 622 G HN 0.405 nan 8.290 nan 0.000 0.518 623 P HA 0.524 nan 4.420 nan 0.000 0.275 623 P C 0.370 177.224 177.300 -0.742 0.000 1.228 623 P CA 0.551 63.061 63.100 -0.983 0.000 0.786 623 P CB 1.149 32.490 31.700 -0.598 0.000 0.927 624 A N 2.720 125.194 122.820 -0.578 0.000 2.386 624 A HA 0.397 4.715 4.320 -0.003 0.000 0.246 624 A C -0.071 177.579 177.584 0.110 0.000 1.089 624 A CA -0.068 51.811 52.037 -0.263 0.000 0.790 624 A CB -0.364 18.683 19.000 0.078 0.000 1.042 624 A HN 0.394 nan 8.150 nan 0.000 0.497 625 F N 0.319 120.309 119.950 0.066 0.000 2.378 625 F HA 0.429 4.955 4.527 -0.003 0.000 0.325 625 F C 0.990 176.638 175.800 -0.254 0.000 1.097 625 F CA -0.566 57.311 58.000 -0.206 0.000 1.079 625 F CB 1.132 39.780 39.000 -0.587 0.000 1.240 625 F HN 0.648 nan 8.300 nan 0.000 0.519 626 N N -0.905 117.791 118.700 -0.007 0.000 2.423 626 N HA 0.083 4.822 4.740 -0.003 0.000 0.262 626 N C -0.406 175.081 175.510 -0.038 0.000 1.467 626 N CA -0.164 52.801 53.050 -0.143 0.000 0.847 626 N CB -0.120 37.842 38.487 -0.875 0.000 1.394 626 N HN 0.665 nan 8.380 nan 0.000 0.495 627 Q N -0.554 119.291 119.800 0.075 0.000 2.631 627 Q HA 0.283 4.622 4.340 -0.003 0.000 0.220 627 Q C 1.093 177.092 176.000 -0.002 0.000 0.819 627 Q CA 0.460 56.265 55.803 0.003 0.000 0.914 627 Q CB 0.694 29.405 28.738 -0.046 0.000 1.248 627 Q HN 0.096 nan 8.270 nan 0.000 0.629 628 V N 1.684 121.607 119.914 0.014 0.000 2.251 628 V HA -0.165 3.953 4.120 -0.003 0.000 0.237 628 V C 2.188 178.137 176.094 -0.242 0.000 1.040 628 V CA 1.228 63.475 62.300 -0.088 0.000 1.005 628 V CB -0.451 31.333 31.823 -0.066 0.000 0.645 628 V HN 0.292 nan 8.190 nan 0.000 0.458 629 I N -0.744 119.542 120.570 -0.474 0.000 2.252 629 I HA -0.062 4.107 4.170 -0.003 0.000 0.245 629 I C 0.992 176.546 176.117 -0.939 0.000 1.102 629 I CA 1.598 62.397 61.300 -0.835 0.000 1.385 629 I CB -1.092 36.153 38.000 -1.260 0.000 1.064 629 I HN 0.402 nan 8.210 nan 0.000 0.414 630 H N 0.275 119.007 119.070 -0.563 0.000 2.851 630 H HA 0.523 5.077 4.556 -0.003 0.000 0.372 630 H C -0.611 174.688 175.328 -0.049 0.000 1.158 630 H CA -0.685 55.216 56.048 -0.244 0.000 1.159 630 H CB 1.875 31.522 29.762 -0.191 0.000 1.757 630 H HN 0.012 nan 8.280 nan 0.000 0.546 631 Q N 0.641 120.476 119.800 0.058 0.000 2.257 631 Q HA 0.209 4.547 4.340 -0.003 0.000 0.262 631 Q C -0.734 175.257 176.000 -0.015 0.000 0.997 631 Q CA -0.876 54.937 55.803 0.017 0.000 0.873 631 Q CB 1.526 30.261 28.738 -0.004 0.000 1.312 631 Q HN 0.482 nan 8.270 nan 0.000 0.450 632 Y N 3.737 123.913 120.300 -0.207 0.000 2.702 632 Y HA 0.032 4.580 4.550 -0.003 0.000 0.336 632 Y C -1.181 174.657 175.900 -0.103 0.000 1.235 632 Y CA -0.900 57.038 58.100 -0.271 0.000 1.492 632 Y CB 0.695 38.961 38.460 -0.323 0.000 1.308 632 Y HN 0.584 nan 8.280 nan 0.000 0.589 633 P HA 0.006 nan 4.420 nan 0.000 0.256 633 P C -0.592 176.572 177.300 -0.227 0.000 1.335 633 P CA 0.325 62.871 63.100 -0.923 0.000 0.808 633 P CB -0.109 31.136 31.700 -0.760 0.000 1.305 634 T N 0.716 115.192 114.554 -0.130 0.000 2.837 634 T HA 0.335 4.684 4.350 -0.003 0.000 0.285 634 T C -0.597 174.160 174.700 0.095 0.000 0.984 634 T CA 0.015 62.145 62.100 0.049 0.000 1.049 634 T CB 0.692 69.575 68.868 0.025 0.000 0.947 634 T HN 0.026 nan 8.240 nan 0.000 0.472 635 W N 2.436 123.752 121.300 0.026 0.000 2.820 635 W HA 0.681 5.340 4.660 -0.002 0.000 0.350 635 W C -0.749 175.906 176.519 0.226 0.000 1.116 635 W CA -0.930 56.491 57.345 0.126 0.000 1.146 635 W CB 0.918 30.376 29.460 -0.004 0.000 1.433 635 W HN 0.729 nan 8.180 nan 0.000 0.561 636 Y N -0.810 119.716 120.300 0.376 0.000 2.656 636 Y HA 0.742 5.291 4.550 -0.002 0.000 0.334 636 Y C -2.180 173.984 175.900 0.440 0.000 1.179 636 Y CA -2.503 55.794 58.100 0.329 0.000 1.050 636 Y CB 1.298 39.905 38.460 0.245 0.000 1.308 636 Y HN 0.489 nan 8.280 nan 0.000 0.456 637 Y N 0.765 121.202 120.300 0.228 0.000 2.465 637 Y HA 0.380 4.928 4.550 -0.003 0.000 0.323 637 Y C -1.869 174.193 175.900 0.270 0.000 1.191 637 Y CA -1.298 56.847 58.100 0.074 0.000 1.082 637 Y CB 1.761 40.153 38.460 -0.113 0.000 1.334 637 Y HN 0.788 nan 8.280 nan 0.000 0.449 638 D N 4.124 124.540 120.400 0.026 0.000 2.317 638 D HA 0.513 5.151 4.640 -0.003 0.000 0.234 638 D C -0.883 175.523 176.300 0.177 0.000 1.112 638 D CA 0.118 54.235 54.000 0.195 0.000 0.840 638 D CB 1.701 42.651 40.800 0.250 0.000 1.078 638 D HN 0.202 nan 8.370 nan 0.000 0.486 639 V N 1.157 121.248 119.914 0.294 0.000 2.604 639 V HA 0.336 4.455 4.120 -0.003 0.000 0.305 639 V C 0.378 176.603 176.094 0.220 0.000 1.043 639 V CA -0.969 61.476 62.300 0.242 0.000 0.888 639 V CB 2.048 33.980 31.823 0.182 0.000 0.995 639 V HN 0.459 nan 8.190 nan 0.000 0.429 640 S N 2.993 118.782 115.700 0.147 0.000 2.474 640 S HA 0.595 5.063 4.470 -0.003 0.000 0.276 640 S C -0.627 174.038 174.600 0.108 0.000 1.227 640 S CA -0.168 58.098 58.200 0.110 0.000 1.050 640 S CB 0.687 63.917 63.200 0.050 0.000 0.939 640 S HN 0.654 nan 8.310 nan 0.000 0.490 641 V N 6.990 126.982 119.914 0.129 0.000 3.078 641 V HA 0.670 4.788 4.120 -0.003 0.000 0.311 641 V C -2.355 173.802 176.094 0.104 0.000 1.138 641 V CA -2.235 60.142 62.300 0.128 0.000 1.007 641 V CB 2.683 34.633 31.823 0.212 0.000 1.045 641 V HN 0.774 nan 8.190 nan 0.000 0.432 642 P HA 0.155 nan 4.420 nan 0.000 0.265 642 P C -0.743 176.597 177.300 0.068 0.000 1.193 642 P CA 0.134 63.274 63.100 0.067 0.000 0.765 642 P CB 0.715 32.451 31.700 0.059 0.000 0.823 643 A N 2.997 125.848 122.820 0.052 0.000 2.401 643 A HA 0.491 4.809 4.320 -0.003 0.000 0.259 643 A C 1.361 178.959 177.584 0.024 0.000 1.103 643 A CA 0.297 52.359 52.037 0.042 0.000 0.789 643 A CB -0.993 18.030 19.000 0.039 0.000 1.035 643 A HN 0.838 nan 8.150 nan 0.000 0.491 644 G N 1.358 110.161 108.800 0.005 0.000 2.323 644 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.292 644 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.292 644 G C 0.031 174.925 174.900 -0.010 0.000 1.040 644 G CA 0.909 46.001 45.100 -0.013 0.000 0.942 644 G HN 0.793 nan 8.290 nan 0.000 0.506 645 K N -0.586 119.810 120.400 -0.007 0.000 2.371 645 K HA 0.408 4.726 4.320 -0.003 0.000 0.251 645 K C 0.045 176.652 176.600 0.011 0.000 0.934 645 K CA -0.838 55.458 56.287 0.015 0.000 0.798 645 K CB 1.782 34.308 32.500 0.045 0.000 1.204 645 K HN 0.289 nan 8.250 nan 0.000 0.427 646 Q N 3.988 123.807 119.800 0.031 0.000 2.307 646 Q HA 0.298 4.636 4.340 -0.003 0.000 0.259 646 Q C -1.227 174.849 176.000 0.126 0.000 0.998 646 Q CA -0.199 55.638 55.803 0.057 0.000 0.923 646 Q CB 0.477 29.248 28.738 0.054 0.000 1.196 646 Q HN 0.420 nan 8.270 nan 0.000 0.416 647 L N 3.198 124.545 121.223 0.208 0.000 2.334 647 L HA 0.577 4.915 4.340 -0.003 0.000 0.273 647 L C -0.255 176.848 176.870 0.388 0.000 1.013 647 L CA -0.839 54.177 54.840 0.293 0.000 0.816 647 L CB 1.992 44.275 42.059 0.374 0.000 1.278 647 L HN 0.669 nan 8.230 nan 0.000 0.431 648 E N 2.244 122.653 120.200 0.347 0.000 2.210 648 E HA 0.611 4.959 4.350 -0.003 0.000 0.266 648 E C -1.527 175.297 176.600 0.373 0.000 0.883 648 E CA -0.482 56.132 56.400 0.357 0.000 0.761 648 E CB 2.400 32.329 29.700 0.382 0.000 1.156 648 E HN 0.394 nan 8.360 nan 0.000 0.412 649 F N 0.065 120.183 119.950 0.280 0.000 2.711 649 F HA 0.701 5.226 4.527 -0.003 0.000 0.313 649 F C -1.326 174.711 175.800 0.395 0.000 1.141 649 F CA -1.043 57.043 58.000 0.143 0.000 0.941 649 F CB 1.592 40.597 39.000 0.009 0.000 1.349 649 F HN 0.123 nan 8.300 nan 0.000 0.464 650 K N 0.855 121.574 120.400 0.532 0.000 2.551 650 K HA 0.557 4.876 4.320 -0.003 0.000 0.269 650 K C -2.082 174.790 176.600 0.454 0.000 0.949 650 K CA -0.660 55.968 56.287 0.568 0.000 0.849 650 K CB 2.605 35.514 32.500 0.682 0.000 1.411 650 K HN 0.584 nan 8.250 nan 0.000 0.432 651 F N 2.057 122.276 119.950 0.448 0.000 2.403 651 F HA 0.576 5.101 4.527 -0.002 0.000 0.326 651 F C 0.002 176.053 175.800 0.417 0.000 1.081 651 F CA -0.311 57.892 58.000 0.338 0.000 1.041 651 F CB 0.933 40.153 39.000 0.367 0.000 1.234 651 F HN 0.377 nan 8.300 nan 0.000 0.503 652 F N -0.936 119.217 119.950 0.339 0.000 2.641 652 F HA 0.658 5.183 4.527 -0.002 0.000 0.308 652 F C -1.673 174.194 175.800 0.112 0.000 1.105 652 F CA -1.541 56.537 58.000 0.130 0.000 0.964 652 F CB 1.238 39.892 39.000 -0.577 0.000 1.294 652 F HN 0.245 nan 8.300 nan 0.000 0.442 653 K N 2.469 123.031 120.400 0.270 0.000 2.156 653 K HA 0.517 4.835 4.320 -0.003 0.000 0.271 653 K C -1.137 175.560 176.600 0.162 0.000 0.995 653 K CA -0.946 55.378 56.287 0.062 0.000 0.890 653 K CB 1.953 34.431 32.500 -0.037 0.000 1.073 653 K HN 0.728 nan 8.250 nan 0.000 0.454 654 K N 2.614 123.096 120.400 0.137 0.000 2.601 654 K HA 0.126 4.445 4.320 -0.003 0.000 0.249 654 K C -0.608 176.055 176.600 0.105 0.000 0.966 654 K CA -0.345 56.013 56.287 0.118 0.000 0.827 654 K CB 0.831 33.365 32.500 0.056 0.000 1.178 654 K HN 0.750 nan 8.250 nan 0.000 0.437 655 N N 2.290 121.030 118.700 0.068 0.000 2.648 655 N HA 0.193 4.932 4.740 -0.003 0.000 0.234 655 N C 1.211 176.750 175.510 0.047 0.000 1.034 655 N CA 0.120 53.207 53.050 0.062 0.000 1.205 655 N CB -0.224 38.292 38.487 0.048 0.000 1.573 655 N HN 0.414 nan 8.380 nan 0.000 0.615 656 G N -0.030 108.790 108.800 0.033 0.000 2.964 656 G HA2 0.125 4.084 3.960 -0.003 0.000 0.191 656 G HA3 0.125 4.084 3.960 -0.003 0.000 0.191 656 G C 0.833 175.739 174.900 0.009 0.000 1.978 656 G CA 0.504 45.617 45.100 0.022 0.000 0.861 656 G HN 0.480 nan 8.290 nan 0.000 0.584 657 S N -0.781 114.922 115.700 0.006 0.000 2.540 657 S HA 0.216 4.684 4.470 -0.003 0.000 0.218 657 S C 0.486 175.083 174.600 -0.005 0.000 0.977 657 S CA -0.013 58.184 58.200 -0.006 0.000 0.918 657 S CB 0.220 63.417 63.200 -0.004 0.000 0.806 657 S HN 0.201 nan 8.310 nan 0.000 0.496 658 T N 3.373 117.933 114.554 0.010 0.000 2.749 658 T HA 0.497 4.845 4.350 -0.003 0.000 0.295 658 T C -0.287 174.425 174.700 0.020 0.000 0.936 658 T CA -0.111 62.001 62.100 0.020 0.000 1.060 658 T CB 0.439 69.328 68.868 0.034 0.000 0.904 658 T HN 0.289 nan 8.240 nan 0.000 0.500 659 I N 3.135 123.709 120.570 0.007 0.000 2.362 659 I HA 0.339 4.508 4.170 -0.003 0.000 0.289 659 I C 0.462 176.602 176.117 0.038 0.000 0.994 659 I CA -0.608 60.672 61.300 -0.034 0.000 1.158 659 I CB 1.809 39.683 38.000 -0.210 0.000 1.315 659 I HN 0.507 nan 8.210 nan 0.000 0.451 660 T N 5.274 119.887 114.554 0.098 0.000 2.833 660 T HA 0.404 4.752 4.350 -0.003 0.000 0.297 660 T C -0.787 174.123 174.700 0.350 0.000 1.015 660 T CA -0.355 61.882 62.100 0.228 0.000 0.963 660 T CB 0.256 69.262 68.868 0.230 0.000 0.955 660 T HN 0.370 nan 8.240 nan 0.000 0.449 661 W N 2.490 123.938 121.300 0.247 0.000 2.089 661 W HA 0.463 5.121 4.660 -0.003 0.000 0.362 661 W C 0.976 177.539 176.519 0.074 0.000 1.362 661 W CA -0.810 56.668 57.345 0.221 0.000 1.460 661 W CB 0.458 29.962 29.460 0.072 0.000 1.204 661 W HN 0.580 nan 8.180 nan 0.000 0.657 662 E N 0.651 120.916 120.200 0.107 0.000 2.366 662 E HA 0.152 4.500 4.350 -0.003 0.000 0.266 662 E C 0.294 176.795 176.600 -0.166 0.000 1.051 662 E CA -0.222 55.897 56.400 -0.469 0.000 0.884 662 E CB 0.870 30.260 29.700 -0.517 0.000 1.006 662 E HN 0.385 nan 8.360 nan 0.000 0.417 663 S N 1.338 116.914 115.700 -0.207 0.000 2.646 663 S HA 0.720 5.188 4.470 -0.003 0.000 0.273 663 S C 0.779 175.278 174.600 -0.169 0.000 1.168 663 S CA -0.247 57.880 58.200 -0.122 0.000 1.013 663 S CB 1.037 64.201 63.200 -0.060 0.000 1.098 663 S HN 0.876 nan 8.310 nan 0.000 0.544 664 G N 0.348 109.065 108.800 -0.139 0.000 2.645 664 G HA2 -0.147 3.812 3.960 -0.003 0.000 0.246 664 G HA3 -0.147 3.812 3.960 -0.003 0.000 0.246 664 G C -0.112 174.675 174.900 -0.188 0.000 1.322 664 G CA -0.164 44.845 45.100 -0.151 0.000 0.898 664 G HN 1.255 nan 8.290 nan 0.000 0.573 665 S N 0.768 116.351 115.700 -0.194 0.000 2.632 665 S HA 0.499 4.968 4.470 -0.003 0.000 0.267 665 S C 0.636 175.071 174.600 -0.274 0.000 1.276 665 S CA -0.622 57.458 58.200 -0.200 0.000 0.998 665 S CB 0.784 63.896 63.200 -0.147 0.000 0.953 665 S HN 0.704 nan 8.310 nan 0.000 0.547 666 N N 1.885 120.460 118.700 -0.208 0.000 2.453 666 N HA 0.098 4.837 4.740 -0.003 0.000 0.253 666 N C -0.191 175.154 175.510 -0.275 0.000 1.252 666 N CA 0.212 53.157 53.050 -0.176 0.000 0.917 666 N CB 0.110 38.621 38.487 0.040 0.000 1.117 666 N HN 0.535 nan 8.380 nan 0.000 0.442 667 H N -0.189 118.693 119.070 -0.313 0.000 2.551 667 H HA 0.272 4.827 4.556 -0.003 0.000 0.358 667 H C 0.297 175.417 175.328 -0.347 0.000 1.151 667 H CA 0.187 55.968 56.048 -0.446 0.000 1.374 667 H CB 0.792 29.996 29.762 -0.930 0.000 1.473 667 H HN 0.511 nan 8.280 nan 0.000 0.574 668 T N -0.513 114.097 114.554 0.094 0.000 2.906 668 T HA 0.583 4.931 4.350 -0.003 0.000 0.295 668 T C -0.918 174.071 174.700 0.481 0.000 1.061 668 T CA -0.913 61.345 62.100 0.264 0.000 1.000 668 T CB 1.886 70.860 68.868 0.176 0.000 1.103 668 T HN 0.414 nan 8.240 nan 0.000 0.486 669 F N 0.689 120.826 119.950 0.311 0.000 2.639 669 F HA 0.516 5.042 4.527 -0.003 0.000 0.320 669 F C -1.244 174.659 175.800 0.172 0.000 1.128 669 F CA -0.447 57.700 58.000 0.244 0.000 1.037 669 F CB 1.876 41.053 39.000 0.295 0.000 1.288 669 F HN 0.750 nan 8.300 nan 0.000 0.463 670 T N 4.100 118.307 114.554 -0.578 0.000 2.743 670 T HA 0.425 4.773 4.350 -0.003 0.000 0.292 670 T C 0.035 174.208 174.700 -0.879 0.000 0.972 670 T CA -0.378 61.439 62.100 -0.472 0.000 0.967 670 T CB 0.739 69.452 68.868 -0.258 0.000 0.926 670 T HN 0.729 nan 8.240 nan 0.000 0.459 671 T N 2.934 117.204 114.554 -0.473 0.000 2.898 671 T HA 0.375 4.723 4.350 -0.003 0.000 0.301 671 T C -2.292 172.310 174.700 -0.163 0.000 1.049 671 T CA -1.566 60.367 62.100 -0.278 0.000 1.095 671 T CB 0.335 69.214 68.868 0.018 0.000 0.976 671 T HN 0.259 nan 8.240 nan 0.000 0.539 672 P HA 0.262 nan 4.420 nan 0.000 0.274 672 P C 0.620 177.927 177.300 0.011 0.000 1.246 672 P CA -0.497 62.597 63.100 -0.010 0.000 0.795 672 P CB 0.629 32.358 31.700 0.049 0.000 1.006 673 A N 1.663 124.490 122.820 0.013 0.000 2.015 673 A HA 0.027 4.346 4.320 -0.003 0.000 0.219 673 A C 1.035 178.640 177.584 0.036 0.000 1.163 673 A CA 1.682 53.730 52.037 0.020 0.000 0.646 673 A CB -0.753 18.257 19.000 0.016 0.000 0.806 673 A HN 0.781 nan 8.150 nan 0.000 0.448 674 S N -4.993 110.737 115.700 0.049 0.000 2.611 674 S HA 0.622 5.090 4.470 -0.003 0.000 0.268 674 S C 0.281 174.933 174.600 0.087 0.000 1.156 674 S CA 0.194 58.432 58.200 0.064 0.000 0.817 674 S CB 0.816 64.050 63.200 0.056 0.000 1.122 674 S HN 2.132 nan 8.310 nan 0.000 0.466 675 G N 0.866 109.732 108.800 0.110 0.000 2.520 675 G HA2 0.182 4.140 3.960 -0.003 0.000 0.248 675 G HA3 0.182 4.140 3.960 -0.003 0.000 0.248 675 G C 0.034 175.036 174.900 0.171 0.000 1.161 675 G CA 0.717 45.902 45.100 0.142 0.000 0.946 675 G HN 2.449 nan 8.290 nan 0.000 0.565 676 T N -2.332 112.321 114.554 0.165 0.000 2.865 676 T HA 1.013 5.362 4.350 -0.003 0.000 0.294 676 T C -0.235 174.556 174.700 0.151 0.000 1.119 676 T CA 0.505 62.712 62.100 0.178 0.000 1.007 676 T CB 1.686 70.672 68.868 0.197 0.000 1.225 676 T HN 2.644 nan 8.240 nan 0.000 0.515 677 A N 0.399 123.305 122.820 0.144 0.000 2.586 677 A HA 0.812 5.131 4.320 -0.003 0.000 0.290 677 A C -0.867 176.734 177.584 0.028 0.000 1.086 677 A CA -0.947 51.166 52.037 0.127 0.000 0.665 677 A CB 1.369 20.520 19.000 0.252 0.000 1.279 677 A HN 0.979 nan 8.150 nan 0.000 0.423 678 T N 0.616 115.150 114.554 -0.033 0.000 2.879 678 T HA 0.570 4.918 4.350 -0.003 0.000 0.290 678 T C -1.414 173.111 174.700 -0.293 0.000 0.993 678 T CA -0.384 61.636 62.100 -0.134 0.000 0.975 678 T CB 1.346 70.197 68.868 -0.028 0.000 0.981 678 T HN 1.501 nan 8.240 nan 0.000 0.439 679 V N 3.978 123.575 119.914 -0.528 0.000 2.444 679 V HA 0.704 4.823 4.120 -0.003 0.000 0.294 679 V C -0.682 175.245 176.094 -0.279 0.000 1.022 679 V CA -0.123 61.811 62.300 -0.610 0.000 0.850 679 V CB 1.704 32.725 31.823 -1.337 0.000 0.992 679 V HN 0.977 nan 8.190 nan 0.000 0.426 680 T N 6.807 121.282 114.554 -0.131 0.000 2.797 680 T HA 0.721 5.069 4.350 -0.003 0.000 0.279 680 T C -0.387 174.309 174.700 -0.007 0.000 0.991 680 T CA -0.296 61.770 62.100 -0.057 0.000 0.979 680 T CB 1.428 70.262 68.868 -0.056 0.000 0.943 680 T HN 1.089 nan 8.240 nan 0.000 0.444 681 V N 0.783 120.694 119.914 -0.005 0.000 3.160 681 V HA 0.745 4.863 4.120 -0.003 0.000 0.310 681 V C -1.122 174.962 176.094 -0.017 0.000 1.181 681 V CA -1.229 61.049 62.300 -0.036 0.000 1.047 681 V CB 2.393 34.044 31.823 -0.286 0.000 1.068 681 V HN 0.701 nan 8.190 nan 0.000 0.441 682 N N 1.406 120.137 118.700 0.052 0.000 2.405 682 N HA 0.263 5.002 4.740 -0.003 0.000 0.299 682 N C -0.885 174.740 175.510 0.192 0.000 1.075 682 N CA -0.301 52.816 53.050 0.110 0.000 0.884 682 N CB 2.163 40.720 38.487 0.116 0.000 1.194 682 N HN 1.027 nan 8.380 nan 0.000 0.491 683 W N 2.881 124.197 121.300 0.026 0.000 2.322 683 W HA 0.023 4.681 4.660 -0.003 0.000 0.328 683 W C -0.344 176.246 176.519 0.118 0.000 1.395 683 W CA 0.315 57.702 57.345 0.070 0.000 1.267 683 W CB 0.463 29.920 29.460 -0.004 0.000 1.259 683 W HN 0.496 nan 8.180 nan 0.000 0.560 684 Q N 0.000 119.532 119.800 -0.447 0.000 2.315 684 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 684 Q CA 0.000 55.626 55.803 -0.295 0.000 1.022 684 Q CB 0.000 28.592 28.738 -0.244 0.000 1.108 684 Q HN 0.000 nan 8.270 nan 0.000 0.481