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 1yvl_1_B DATA FIRST_RESID 1002 DATA SEQUENCE SQWYELQQLD SKFLEQVHQL YDDSFPMEIR QYLAQWLEKQ DWEHAANDVS DATA SEQUENCE FATIRFHDLL SQLDDQYSRF SLENNFLLQH NIRKSKRNLQ DNFQEDPIQM DATA SEQUENCE SMIIYSCLKE ERKILENAQR FNXXXXXXXX XXXMLDKQKE LDSKVRNVKD DATA SEQUENCE KVMCIEHEIK SLEDLQDEYD FKCKTLQNRE HXXXXXXXXD QKQEQLLLKK DATA SEQUENCE MYLMLDNKRK EVVHKIIELL NVTELTQNAL INDELVEWKR RQQSACIGGP DATA SEQUENCE PNACLDQLQN WFTIVAESLQ QVRQQLKKLE ELEQKYTYEH DPITKNKQVL DATA SEQUENCE WDRTFSLFQQ LIQSSFVVER QPCMPTHPQR PLVLKTGVQF TVKLRLLVKL DATA SEQUENCE QELNYNLKVK VLFDKDVNER NTVKGFRKFN ILGTHTKVMN MEESTNGSLA DATA SEQUENCE AEFRHLQLKE QXXXXXXXXX GPLIVTEELH SLSFETQLCQ PGLVIDLETT DATA SEQUENCE SLPVVVISNV SQLPSGWASI LWYNMLVAEP RNLSFFLTPP CARWAQLSEV DATA SEQUENCE LSWQFSSVTK RGLNVDQLNM LGEKLLGPNA SPDGLIPWTR FCKENINDKN DATA SEQUENCE FPFWLWIESI LELIKKHLLP LWNDGCIMGF ISKERERALL KDQQPGTFLL DATA SEQUENCE RFSESSREGA ITFTWVERSX NGGEPDFHAV EPYTKKELSA VTFPDIIRNY DATA SEQUENCE KVMAAENIPE NPLKYLYPNI DKDHAFGKYY SR 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 1002 S HA 0.000 nan 4.470 nan 0.000 0.327 1002 S C 0.000 174.720 174.600 0.200 0.000 1.055 1002 S CA 0.000 58.295 58.200 0.158 0.000 1.107 1002 S CB 0.000 63.328 63.200 0.214 0.000 0.593 1003 Q N -0.162 119.765 119.800 0.212 0.000 2.269 1003 Q HA -0.015 4.325 4.340 0.000 0.000 0.201 1003 Q C 1.450 177.621 176.000 0.285 0.000 0.946 1003 Q CA 0.710 56.636 55.803 0.205 0.000 0.877 1003 Q CB -0.099 28.742 28.738 0.173 0.000 0.963 1003 Q HN 0.810 nan 8.270 nan 0.000 0.472 1004 W N 0.499 121.855 121.300 0.092 0.000 2.333 1004 W HA -0.323 4.337 4.660 0.000 0.000 0.316 1004 W C 1.807 178.371 176.519 0.076 0.000 1.215 1004 W CA 1.507 58.892 57.345 0.067 0.000 1.278 1004 W CB -0.461 29.041 29.460 0.070 0.000 1.154 1004 W HN 0.276 nan 8.180 nan 0.000 0.486 1005 Y N 1.431 121.793 120.300 0.104 0.000 2.014 1005 Y HA -0.366 4.184 4.550 0.000 0.000 0.270 1005 Y C 2.541 178.389 175.900 -0.088 0.000 1.145 1005 Y CA 2.926 61.007 58.100 -0.031 0.000 1.106 1005 Y CB -1.098 37.387 38.460 0.041 0.000 0.968 1005 Y HN 0.001 nan 8.280 nan 0.000 0.484 1006 E N -0.120 120.198 120.200 0.196 0.000 2.236 1006 E HA -0.299 4.051 4.350 0.000 0.000 0.205 1006 E C 2.128 178.665 176.600 -0.103 0.000 1.028 1006 E CA 1.771 58.210 56.400 0.066 0.000 0.827 1006 E CB -0.394 29.364 29.700 0.096 0.000 0.735 1006 E HN 0.551 nan 8.360 nan 0.000 0.470 1007 L N 0.043 121.173 121.223 -0.154 0.000 2.095 1007 L HA -0.160 4.180 4.340 0.000 0.000 0.204 1007 L C 2.131 178.810 176.870 -0.319 0.000 1.080 1007 L CA 0.897 55.604 54.840 -0.222 0.000 0.759 1007 L CB -0.205 41.709 42.059 -0.243 0.000 0.914 1007 L HN 0.110 nan 8.230 nan 0.000 0.439 1008 Q N 0.014 119.532 119.800 -0.470 0.000 2.541 1008 Q HA -0.130 4.210 4.340 0.000 0.000 0.215 1008 Q C 0.503 176.287 176.000 -0.358 0.000 0.977 1008 Q CA 0.477 56.004 55.803 -0.460 0.000 0.934 1008 Q CB 0.060 28.462 28.738 -0.559 0.000 0.988 1008 Q HN 0.475 nan 8.270 nan 0.000 0.521 1009 Q N 0.162 119.773 119.800 -0.316 0.000 2.186 1009 Q HA 0.289 4.629 4.340 0.000 0.000 0.241 1009 Q C -0.116 175.802 176.000 -0.137 0.000 0.849 1009 Q CA 0.149 55.813 55.803 -0.232 0.000 1.053 1009 Q CB 0.608 29.207 28.738 -0.232 0.000 1.146 1009 Q HN 0.320 nan 8.270 nan 0.000 0.475 1010 L N 0.023 121.182 121.223 -0.105 0.000 2.304 1010 L HA 0.436 4.776 4.340 0.000 0.000 0.268 1010 L C 0.179 177.125 176.870 0.126 0.000 1.010 1010 L CA -1.120 53.702 54.840 -0.030 0.000 0.813 1010 L CB 1.095 43.113 42.059 -0.067 0.000 1.315 1010 L HN -0.062 nan 8.230 nan 0.000 0.445 1011 D N 0.171 120.763 120.400 0.321 0.000 2.424 1011 D HA -0.052 4.588 4.640 0.000 0.000 0.244 1011 D C 1.018 177.442 176.300 0.207 0.000 1.134 1011 D CA 0.228 54.393 54.000 0.275 0.000 0.881 1011 D CB 1.485 42.491 40.800 0.343 0.000 1.191 1011 D HN 0.585 nan 8.370 nan 0.000 0.445 1012 S N 2.376 118.122 115.700 0.076 0.000 2.504 1012 S HA -0.240 4.230 4.470 0.000 0.000 0.257 1012 S C 1.173 175.755 174.600 -0.030 0.000 0.986 1012 S CA 1.271 59.490 58.200 0.032 0.000 0.965 1012 S CB -0.088 63.122 63.200 0.016 0.000 0.744 1012 S HN 0.374 nan 8.310 nan 0.000 0.523 1013 K N -0.799 119.501 120.400 -0.167 0.000 2.243 1013 K HA 0.112 4.432 4.320 0.000 0.000 0.201 1013 K C 1.254 177.588 176.600 -0.443 0.000 1.051 1013 K CA 1.108 57.168 56.287 -0.378 0.000 0.970 1013 K CB -0.133 31.995 32.500 -0.620 0.000 0.755 1013 K HN 0.525 nan 8.250 nan 0.000 0.465 1014 F N 0.961 120.914 119.950 0.004 0.000 2.274 1014 F HA 0.009 4.536 4.527 0.000 0.000 0.288 1014 F C 1.797 177.596 175.800 -0.001 0.000 1.069 1014 F CA -0.054 57.946 58.000 -0.001 0.000 1.343 1014 F CB -0.730 38.258 39.000 -0.020 0.000 1.089 1014 F HN -0.164 nan 8.300 nan 0.000 0.517 1015 L N -0.265 121.066 121.223 0.180 0.000 2.447 1015 L HA -0.040 4.300 4.340 0.000 0.000 0.225 1015 L C 1.730 178.665 176.870 0.110 0.000 1.148 1015 L CA 1.510 56.378 54.840 0.047 0.000 0.808 1015 L CB -1.485 40.562 42.059 -0.021 0.000 0.928 1015 L HN 0.091 nan 8.230 nan 0.000 0.448 1016 E N 0.345 120.633 120.200 0.147 0.000 2.170 1016 E HA -0.161 4.189 4.350 0.000 0.000 0.191 1016 E C 2.228 178.934 176.600 0.178 0.000 0.981 1016 E CA 1.042 57.563 56.400 0.202 0.000 0.830 1016 E CB -0.122 29.620 29.700 0.070 0.000 0.775 1016 E HN 0.702 nan 8.360 nan 0.000 0.470 1017 Q N -0.630 119.242 119.800 0.120 0.000 2.245 1017 Q HA -0.000 4.340 4.340 0.000 0.000 0.201 1017 Q C 1.943 178.033 176.000 0.150 0.000 0.955 1017 Q CA 0.887 56.759 55.803 0.114 0.000 0.870 1017 Q CB 0.297 29.090 28.738 0.091 0.000 0.945 1017 Q HN 0.199 nan 8.270 nan 0.000 0.461 1018 V N 0.523 120.525 119.914 0.146 0.000 2.343 1018 V HA -0.313 3.807 4.120 0.000 0.000 0.247 1018 V C 2.096 178.334 176.094 0.240 0.000 1.051 1018 V CA 1.887 64.288 62.300 0.169 0.000 1.036 1018 V CB -0.734 31.104 31.823 0.024 0.000 0.654 1018 V HN 0.506 nan 8.190 nan 0.000 0.451 1019 H N 0.460 119.632 119.070 0.170 0.000 2.265 1019 H HA -0.195 4.361 4.556 0.000 0.000 0.295 1019 H C 2.093 177.535 175.328 0.191 0.000 1.084 1019 H CA 1.930 58.081 56.048 0.172 0.000 1.261 1019 H CB -0.310 29.506 29.762 0.091 0.000 1.360 1019 H HN 0.498 nan 8.280 nan 0.000 0.487 1020 Q N 0.485 120.445 119.800 0.267 0.000 2.362 1020 Q HA 0.036 4.376 4.340 0.000 0.000 0.210 1020 Q C 1.127 177.189 176.000 0.104 0.000 0.924 1020 Q CA -0.045 55.854 55.803 0.159 0.000 0.982 1020 Q CB 0.092 28.894 28.738 0.106 0.000 1.028 1020 Q HN 0.420 nan 8.270 nan 0.000 0.482 1021 L N -1.441 119.856 121.223 0.124 0.000 3.039 1021 L HA 0.206 4.546 4.340 0.000 0.000 0.269 1021 L C -0.662 175.994 176.870 -0.358 0.000 1.169 1021 L CA -0.033 54.750 54.840 -0.095 0.000 0.986 1021 L CB 0.756 42.748 42.059 -0.112 0.000 1.377 1021 L HN 0.196 nan 8.230 nan 0.000 0.575 1022 Y N 1.576 121.941 120.300 0.108 0.000 2.338 1022 Y HA 0.314 4.864 4.550 0.000 0.000 0.328 1022 Y C -0.056 175.896 175.900 0.087 0.000 0.965 1022 Y CA -1.426 56.735 58.100 0.102 0.000 1.208 1022 Y CB 1.104 39.623 38.460 0.098 0.000 1.132 1022 Y HN 0.061 nan 8.280 nan 0.000 0.469 1023 D N 0.201 120.693 120.400 0.152 0.000 2.553 1023 D HA 0.172 4.812 4.640 0.000 0.000 0.249 1023 D C -0.195 176.172 176.300 0.111 0.000 1.062 1023 D CA -0.616 53.454 54.000 0.117 0.000 1.085 1023 D CB 1.661 42.508 40.800 0.078 0.000 1.350 1023 D HN 0.343 nan 8.370 nan 0.000 0.575 1024 D N -0.362 120.085 120.400 0.078 0.000 2.322 1024 D HA -0.189 4.451 4.640 0.000 0.000 0.210 1024 D C 2.083 178.435 176.300 0.086 0.000 0.983 1024 D CA 1.918 55.953 54.000 0.060 0.000 0.902 1024 D CB 0.096 40.917 40.800 0.035 0.000 0.905 1024 D HN 0.425 nan 8.370 nan 0.000 0.483 1025 S N -0.378 115.398 115.700 0.127 0.000 2.354 1025 S HA -0.203 4.267 4.470 0.000 0.000 0.219 1025 S C 0.825 175.645 174.600 0.368 0.000 1.035 1025 S CA 0.491 58.822 58.200 0.218 0.000 1.037 1025 S CB -0.331 63.001 63.200 0.220 0.000 0.956 1025 S HN 0.226 nan 8.310 nan 0.000 0.428 1026 F N 4.976 125.002 119.950 0.127 0.000 2.451 1026 F HA 0.502 5.029 4.527 0.000 0.000 0.367 1026 F C -2.626 173.248 175.800 0.123 0.000 1.100 1026 F CA -3.109 54.950 58.000 0.098 0.000 1.171 1026 F CB 1.151 40.138 39.000 -0.021 0.000 1.405 1026 F HN 0.053 nan 8.300 nan 0.000 0.482 1027 P HA -0.134 nan 4.420 nan 0.000 0.260 1027 P C 0.980 178.112 177.300 -0.281 0.000 1.172 1027 P CA 0.235 63.226 63.100 -0.182 0.000 0.760 1027 P CB 0.759 32.342 31.700 -0.196 0.000 0.773 1028 M N 3.143 122.673 119.600 -0.116 0.000 2.346 1028 M HA -0.172 4.308 4.480 0.000 0.000 0.263 1028 M C 1.529 177.561 176.300 -0.447 0.000 1.064 1028 M CA 1.657 56.739 55.300 -0.364 0.000 1.083 1028 M CB -0.261 32.133 32.600 -0.343 0.000 1.399 1028 M HN 0.325 nan 8.290 nan 0.000 0.435 1029 E N 0.444 120.426 120.200 -0.363 0.000 2.110 1029 E HA -0.207 4.143 4.350 0.000 0.000 0.193 1029 E C 1.887 178.170 176.600 -0.529 0.000 0.988 1029 E CA 1.541 57.661 56.400 -0.468 0.000 0.804 1029 E CB -0.234 29.290 29.700 -0.295 0.000 0.745 1029 E HN 0.630 nan 8.360 nan 0.000 0.458 1030 I N 0.814 121.121 120.570 -0.438 0.000 2.193 1030 I HA -0.205 3.965 4.170 0.000 0.000 0.240 1030 I C 2.647 178.554 176.117 -0.349 0.000 1.084 1030 I CA 0.740 61.819 61.300 -0.369 0.000 1.365 1030 I CB -0.180 37.507 38.000 -0.523 0.000 1.064 1030 I HN -0.009 nan 8.210 nan 0.000 0.410 1031 R N 1.403 121.631 120.500 -0.454 0.000 2.185 1031 R HA -0.267 4.073 4.340 0.000 0.000 0.247 1031 R C 2.067 177.900 176.300 -0.779 0.000 1.159 1031 R CA 2.009 57.851 56.100 -0.431 0.000 0.988 1031 R CB -0.497 29.498 30.300 -0.507 0.000 0.871 1031 R HN 0.517 nan 8.270 nan 0.000 0.458 1032 Q N -1.430 117.898 119.800 -0.788 0.000 2.226 1032 Q HA -0.034 4.306 4.340 0.000 0.000 0.199 1032 Q C 1.352 177.289 176.000 -0.104 0.000 0.945 1032 Q CA 0.589 55.978 55.803 -0.690 0.000 0.861 1032 Q CB -0.082 28.431 28.738 -0.376 0.000 0.953 1032 Q HN 0.639 nan 8.270 nan 0.000 0.490 1033 Y N -0.359 119.870 120.300 -0.117 0.000 2.578 1033 Y HA 0.001 4.551 4.550 0.000 0.000 0.297 1033 Y C 0.259 176.129 175.900 -0.049 0.000 1.176 1033 Y CA -0.269 57.809 58.100 -0.037 0.000 1.315 1033 Y CB 0.804 39.264 38.460 -0.001 0.000 1.031 1033 Y HN 0.158 nan 8.280 nan 0.000 0.524 1034 L N -1.559 119.727 121.223 0.104 0.000 3.425 1034 L HA 0.324 4.664 4.340 0.000 0.000 0.330 1034 L C 1.360 178.338 176.870 0.180 0.000 1.317 1034 L CA 0.025 54.947 54.840 0.137 0.000 0.940 1034 L CB 0.184 42.313 42.059 0.116 0.000 1.378 1034 L HN -0.021 nan 8.230 nan 0.000 0.611 1035 A N -0.661 122.204 122.820 0.075 0.000 1.902 1035 A HA -0.197 4.123 4.320 0.000 0.000 0.217 1035 A C 2.090 179.764 177.584 0.151 0.000 1.181 1035 A CA 1.679 53.744 52.037 0.047 0.000 0.623 1035 A CB -0.144 18.841 19.000 -0.025 0.000 0.818 1035 A HN 0.536 nan 8.150 nan 0.000 0.443 1036 Q N -2.349 117.556 119.800 0.175 0.000 2.119 1036 Q HA -0.201 4.140 4.340 0.000 0.000 0.201 1036 Q C 1.910 178.028 176.000 0.196 0.000 0.972 1036 Q CA 1.502 57.404 55.803 0.165 0.000 0.847 1036 Q CB -0.203 28.622 28.738 0.146 0.000 0.903 1036 Q HN 0.891 nan 8.270 nan 0.000 0.433 1037 W N 1.009 122.358 121.300 0.082 0.000 2.379 1037 W HA -0.124 4.536 4.660 0.000 0.000 0.307 1037 W C 1.516 178.136 176.519 0.169 0.000 1.200 1037 W CA 1.103 58.508 57.345 0.099 0.000 1.297 1037 W CB -0.190 29.324 29.460 0.090 0.000 1.140 1037 W HN 0.011 nan 8.180 nan 0.000 0.507 1038 L N 0.445 121.921 121.223 0.421 0.000 1.976 1038 L HA -0.247 4.093 4.340 0.000 0.000 0.209 1038 L C 2.377 179.425 176.870 0.296 0.000 1.071 1038 L CA 2.046 57.127 54.840 0.402 0.000 0.746 1038 L CB -1.222 41.028 42.059 0.318 0.000 0.890 1038 L HN -0.036 nan 8.230 nan 0.000 0.432 1039 E N -0.254 120.054 120.200 0.180 0.000 2.273 1039 E HA -0.235 4.115 4.350 0.000 0.000 0.198 1039 E C 2.107 178.749 176.600 0.070 0.000 1.002 1039 E CA 0.824 57.306 56.400 0.136 0.000 0.828 1039 E CB 0.038 29.807 29.700 0.115 0.000 0.747 1039 E HN 0.261 nan 8.360 nan 0.000 0.491 1040 K N 0.635 121.022 120.400 -0.022 0.000 1.991 1040 K HA -0.017 4.303 4.320 0.000 0.000 0.207 1040 K C 0.803 177.249 176.600 -0.257 0.000 1.045 1040 K CA 0.637 56.843 56.287 -0.135 0.000 0.937 1040 K CB -0.235 32.142 32.500 -0.204 0.000 0.720 1040 K HN 0.098 nan 8.250 nan 0.000 0.438 1041 Q N 1.748 121.246 119.800 -0.504 0.000 2.354 1041 Q HA -0.108 4.232 4.340 0.000 0.000 0.310 1041 Q C 0.061 175.587 176.000 -0.790 0.000 1.104 1041 Q CA 0.461 55.751 55.803 -0.855 0.000 0.968 1041 Q CB -0.040 27.761 28.738 -1.561 0.000 1.251 1041 Q HN 0.119 nan 8.270 nan 0.000 0.411 1042 D N 1.288 121.296 120.400 -0.654 0.000 2.551 1042 D HA 0.030 4.670 4.640 0.000 0.000 0.223 1042 D C 0.071 176.074 176.300 -0.495 0.000 1.144 1042 D CA -0.157 53.641 54.000 -0.337 0.000 1.025 1042 D CB -0.318 40.474 40.800 -0.013 0.000 1.085 1042 D HN 0.454 nan 8.370 nan 0.000 0.506 1043 W N 1.552 122.790 121.300 -0.102 0.000 2.402 1043 W HA -0.063 4.597 4.660 0.000 0.000 0.286 1043 W C 2.264 178.720 176.519 -0.105 0.000 1.221 1043 W CA 0.253 57.528 57.345 -0.116 0.000 1.257 1043 W CB -0.009 29.441 29.460 -0.017 0.000 1.120 1043 W HN 0.392 nan 8.180 nan 0.000 0.551 1044 E N -0.078 120.178 120.200 0.094 0.000 2.058 1044 E HA -0.342 4.008 4.350 0.000 0.000 0.194 1044 E C 2.211 178.750 176.600 -0.101 0.000 0.997 1044 E CA 1.702 57.931 56.400 -0.286 0.000 0.801 1044 E CB -0.386 29.174 29.700 -0.234 0.000 0.746 1044 E HN 0.273 nan 8.360 nan 0.000 0.450 1045 H N 0.366 119.382 119.070 -0.092 0.000 2.293 1045 H HA -0.049 4.507 4.556 0.000 0.000 0.300 1045 H C 1.827 177.146 175.328 -0.014 0.000 1.082 1045 H CA 2.075 58.134 56.048 0.018 0.000 1.308 1045 H CB -0.560 29.341 29.762 0.232 0.000 1.375 1045 H HN 0.248 nan 8.280 nan 0.000 0.495 1046 A N 0.900 123.672 122.820 -0.080 0.000 2.076 1046 A HA -0.045 4.275 4.320 0.000 0.000 0.220 1046 A C 2.598 180.178 177.584 -0.006 0.000 1.160 1046 A CA 1.611 53.513 52.037 -0.225 0.000 0.653 1046 A CB -0.963 17.681 19.000 -0.592 0.000 0.801 1046 A HN 0.581 nan 8.150 nan 0.000 0.455 1047 A N -0.765 122.053 122.820 -0.003 0.000 2.168 1047 A HA -0.037 4.283 4.320 0.000 0.000 0.215 1047 A C 1.675 179.248 177.584 -0.019 0.000 1.152 1047 A CA 1.221 53.242 52.037 -0.027 0.000 0.716 1047 A CB -0.270 18.662 19.000 -0.114 0.000 0.794 1047 A HN 0.575 nan 8.150 nan 0.000 0.465 1048 N N -0.950 117.765 118.700 0.024 0.000 2.210 1048 N HA 0.020 4.760 4.740 0.000 0.000 0.203 1048 N C -0.851 174.703 175.510 0.073 0.000 1.175 1048 N CA 0.120 53.181 53.050 0.019 0.000 0.894 1048 N CB 0.851 39.317 38.487 -0.035 0.000 1.041 1048 N HN 0.367 nan 8.380 nan 0.000 0.506 1049 D N 1.228 121.727 120.400 0.166 0.000 2.469 1049 D HA 0.136 4.776 4.640 0.000 0.000 0.251 1049 D C 1.333 177.734 176.300 0.169 0.000 1.173 1049 D CA -0.389 53.729 54.000 0.197 0.000 0.882 1049 D CB 2.004 43.028 40.800 0.373 0.000 1.129 1049 D HN -0.309 nan 8.370 nan 0.000 0.549 1050 V N 3.400 123.380 119.914 0.110 0.000 2.277 1050 V HA -0.335 3.785 4.120 0.000 0.000 0.253 1050 V C 2.554 178.722 176.094 0.123 0.000 1.067 1050 V CA 2.638 64.995 62.300 0.094 0.000 1.047 1050 V CB -0.834 31.030 31.823 0.068 0.000 0.649 1050 V HN 0.709 nan 8.190 nan 0.000 0.447 1051 S N -0.392 115.390 115.700 0.136 0.000 2.356 1051 S HA -0.249 4.221 4.470 0.000 0.000 0.223 1051 S C 2.044 176.772 174.600 0.214 0.000 1.032 1051 S CA 1.735 60.023 58.200 0.146 0.000 1.005 1051 S CB -0.946 62.319 63.200 0.107 0.000 0.867 1051 S HN 0.596 nan 8.310 nan 0.000 0.449 1052 F N 2.641 122.590 119.950 -0.002 0.000 2.069 1052 F HA -0.125 4.402 4.527 0.000 0.000 0.298 1052 F C 2.813 178.598 175.800 -0.026 0.000 1.113 1052 F CA 0.839 58.783 58.000 -0.092 0.000 1.214 1052 F CB -0.555 38.278 39.000 -0.279 0.000 0.978 1052 F HN 0.367 nan 8.300 nan 0.000 0.474 1053 A N 0.169 123.045 122.820 0.092 0.000 1.873 1053 A HA -0.262 4.058 4.320 0.000 0.000 0.218 1053 A C 2.031 179.707 177.584 0.154 0.000 1.193 1053 A CA 2.599 54.659 52.037 0.038 0.000 0.629 1053 A CB -1.478 17.556 19.000 0.056 0.000 0.826 1053 A HN 0.456 nan 8.150 nan 0.000 0.447 1054 T N 0.298 114.960 114.554 0.180 0.000 2.720 1054 T HA -0.115 4.235 4.350 0.000 0.000 0.268 1054 T C 1.800 176.716 174.700 0.360 0.000 1.037 1054 T CA 1.490 63.743 62.100 0.257 0.000 1.144 1054 T CB -0.442 68.562 68.868 0.226 0.000 0.864 1054 T HN 0.421 nan 8.240 nan 0.000 0.444 1055 I N 0.586 121.331 120.570 0.292 0.000 2.142 1055 I HA -0.187 3.983 4.170 0.000 0.000 0.240 1055 I C 2.844 179.139 176.117 0.297 0.000 1.078 1055 I CA 1.216 62.689 61.300 0.288 0.000 1.343 1055 I CB -0.297 37.855 38.000 0.255 0.000 1.046 1055 I HN 0.071 nan 8.210 nan 0.000 0.405 1056 R N 0.258 120.900 120.500 0.238 0.000 2.120 1056 R HA -0.189 4.151 4.340 0.000 0.000 0.234 1056 R C 2.166 178.700 176.300 0.389 0.000 1.123 1056 R CA 1.307 57.551 56.100 0.240 0.000 0.975 1056 R CB -1.039 29.185 30.300 -0.128 0.000 0.866 1056 R HN 0.346 nan 8.270 nan 0.000 0.446 1057 F N 1.296 121.363 119.950 0.195 0.000 2.134 1057 F HA -0.197 4.330 4.527 0.000 0.000 0.299 1057 F C 2.275 178.084 175.800 0.015 0.000 1.097 1057 F CA 1.598 59.658 58.000 0.100 0.000 1.264 1057 F CB -0.291 38.690 39.000 -0.033 0.000 1.001 1057 F HN 0.074 nan 8.300 nan 0.000 0.479 1058 H N -0.294 118.759 119.070 -0.027 0.000 2.428 1058 H HA -0.089 4.467 4.556 0.000 0.000 0.296 1058 H C 1.809 177.053 175.328 -0.140 0.000 1.062 1058 H CA 1.419 57.367 56.048 -0.167 0.000 1.350 1058 H CB -0.341 29.439 29.762 0.030 0.000 1.403 1058 H HN 0.360 nan 8.280 nan 0.000 0.533 1059 D N 0.804 121.264 120.400 0.100 0.000 2.117 1059 D HA -0.128 4.512 4.640 0.000 0.000 0.197 1059 D C 2.324 178.444 176.300 -0.300 0.000 0.987 1059 D CA 0.439 54.467 54.000 0.045 0.000 0.829 1059 D CB -0.167 40.860 40.800 0.379 0.000 0.961 1059 D HN 0.193 nan 8.370 nan 0.000 0.460 1060 L N 1.105 122.177 121.223 -0.252 0.000 2.083 1060 L HA -0.123 4.217 4.340 0.000 0.000 0.209 1060 L C 2.200 178.832 176.870 -0.397 0.000 1.083 1060 L CA 1.331 55.908 54.840 -0.438 0.000 0.752 1060 L CB -0.657 41.411 42.059 0.015 0.000 0.899 1060 L HN 0.000 nan 8.230 nan 0.000 0.433 1061 L N -1.453 119.533 121.223 -0.394 0.000 2.056 1061 L HA -0.154 4.186 4.340 0.000 0.000 0.207 1061 L C 2.444 179.172 176.870 -0.237 0.000 1.078 1061 L CA 1.259 55.899 54.840 -0.333 0.000 0.749 1061 L CB -0.741 41.085 42.059 -0.389 0.000 0.901 1061 L HN 0.181 nan 8.230 nan 0.000 0.433 1062 S N -0.779 114.792 115.700 -0.216 0.000 2.399 1062 S HA -0.157 4.313 4.470 0.000 0.000 0.231 1062 S C 1.956 176.420 174.600 -0.226 0.000 1.022 1062 S CA 0.908 59.007 58.200 -0.169 0.000 0.983 1062 S CB -0.120 63.008 63.200 -0.120 0.000 0.803 1062 S HN 0.401 nan 8.310 nan 0.000 0.480 1063 Q N 0.730 120.305 119.800 -0.374 0.000 2.224 1063 Q HA 0.086 4.426 4.340 0.000 0.000 0.203 1063 Q C 2.099 177.932 176.000 -0.278 0.000 0.970 1063 Q CA 0.759 56.302 55.803 -0.434 0.000 0.865 1063 Q CB -0.406 27.844 28.738 -0.813 0.000 0.922 1063 Q HN 0.514 nan 8.270 nan 0.000 0.445 1064 L N 0.547 121.629 121.223 -0.235 0.000 2.109 1064 L HA -0.154 4.186 4.340 0.000 0.000 0.207 1064 L C 1.752 178.567 176.870 -0.091 0.000 1.086 1064 L CA 0.824 55.576 54.840 -0.147 0.000 0.760 1064 L CB -0.313 41.659 42.059 -0.144 0.000 0.910 1064 L HN 0.092 nan 8.230 nan 0.000 0.437 1065 D N 0.247 120.593 120.400 -0.091 0.000 2.117 1065 D HA -0.182 4.458 4.640 0.000 0.000 0.197 1065 D C 1.709 178.004 176.300 -0.007 0.000 0.987 1065 D CA 1.220 55.212 54.000 -0.013 0.000 0.829 1065 D CB -0.213 40.571 40.800 -0.027 0.000 0.961 1065 D HN 0.298 nan 8.370 nan 0.000 0.460 1066 D N 0.355 120.706 120.400 -0.081 0.000 2.144 1066 D HA -0.161 4.479 4.640 0.000 0.000 0.199 1066 D C 2.033 178.242 176.300 -0.151 0.000 0.984 1066 D CA 0.812 54.750 54.000 -0.104 0.000 0.834 1066 D CB -0.245 40.480 40.800 -0.125 0.000 0.955 1066 D HN 0.161 nan 8.370 nan 0.000 0.465 1067 Q N -0.340 119.349 119.800 -0.185 0.000 2.167 1067 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 1067 Q C 1.929 177.718 176.000 -0.352 0.000 0.970 1067 Q CA 0.993 56.586 55.803 -0.351 0.000 0.855 1067 Q CB -0.494 28.073 28.738 -0.285 0.000 0.911 1067 Q HN 0.338 nan 8.270 nan 0.000 0.438 1068 Y N -0.037 120.140 120.300 -0.205 0.000 2.242 1068 Y HA -0.085 4.465 4.550 0.000 0.000 0.291 1068 Y C 2.084 177.960 175.900 -0.039 0.000 1.137 1068 Y CA 1.750 59.820 58.100 -0.050 0.000 1.181 1068 Y CB -0.339 38.108 38.460 -0.021 0.000 0.989 1068 Y HN 0.129 nan 8.280 nan 0.000 0.527 1069 S N 0.105 115.736 115.700 -0.115 0.000 2.406 1069 S HA -0.081 4.389 4.470 0.000 0.000 0.228 1069 S C 1.904 176.405 174.600 -0.164 0.000 1.020 1069 S CA 0.916 59.009 58.200 -0.179 0.000 0.965 1069 S CB -0.151 62.988 63.200 -0.102 0.000 0.798 1069 S HN 0.466 nan 8.310 nan 0.000 0.488 1070 R N 0.448 120.818 120.500 -0.217 0.000 2.092 1070 R HA 0.035 4.375 4.340 0.000 0.000 0.231 1070 R C 1.828 178.058 176.300 -0.116 0.000 1.119 1070 R CA 1.332 57.296 56.100 -0.227 0.000 0.970 1070 R CB -0.441 29.626 30.300 -0.389 0.000 0.864 1070 R HN 0.423 nan 8.270 nan 0.000 0.440 1071 F N 0.542 120.421 119.950 -0.118 0.000 2.206 1071 F HA -0.128 4.399 4.527 0.000 0.000 0.298 1071 F C 2.565 178.293 175.800 -0.121 0.000 1.090 1071 F CA 0.383 58.320 58.000 -0.105 0.000 1.323 1071 F CB -0.023 38.938 39.000 -0.065 0.000 1.028 1071 F HN -0.019 nan 8.300 nan 0.000 0.492 1072 S N 0.969 116.652 115.700 -0.027 0.000 2.387 1072 S HA -0.195 4.275 4.470 0.000 0.000 0.230 1072 S C 1.986 176.566 174.600 -0.033 0.000 1.035 1072 S CA 1.146 59.281 58.200 -0.108 0.000 1.014 1072 S CB -0.539 62.513 63.200 -0.246 0.000 0.836 1072 S HN 0.277 nan 8.310 nan 0.000 0.466 1073 L N 0.936 122.144 121.223 -0.026 0.000 2.017 1073 L HA -0.121 4.219 4.340 0.000 0.000 0.208 1073 L C 2.312 179.192 176.870 0.016 0.000 1.073 1073 L CA 1.365 56.198 54.840 -0.012 0.000 0.745 1073 L CB -0.536 41.510 42.059 -0.022 0.000 0.894 1073 L HN 0.306 nan 8.230 nan 0.000 0.432 1074 E N -0.252 119.976 120.200 0.047 0.000 2.482 1074 E HA -0.080 4.270 4.350 0.000 0.000 0.196 1074 E C 0.138 176.768 176.600 0.051 0.000 1.047 1074 E CA 0.089 56.523 56.400 0.057 0.000 0.869 1074 E CB 0.097 29.855 29.700 0.097 0.000 0.836 1074 E HN 0.384 nan 8.360 nan 0.000 0.520 1075 N N 0.883 119.616 118.700 0.054 0.000 2.800 1075 N HA -0.218 4.522 4.740 0.000 0.000 0.250 1075 N C -0.320 175.241 175.510 0.086 0.000 1.078 1075 N CA 0.491 53.579 53.050 0.064 0.000 0.804 1075 N CB -1.784 36.730 38.487 0.044 0.000 1.135 1075 N HN 0.255 nan 8.380 nan 0.000 0.565 1076 N N 0.805 119.535 118.700 0.051 0.000 2.598 1076 N HA -0.042 4.698 4.740 0.000 0.000 0.300 1076 N C 1.032 176.546 175.510 0.008 0.000 1.224 1076 N CA -0.045 52.994 53.050 -0.018 0.000 1.125 1076 N CB -0.517 37.859 38.487 -0.186 0.000 1.468 1076 N HN 0.207 nan 8.380 nan 0.000 0.504 1077 F N 2.679 122.603 119.950 -0.042 0.000 2.147 1077 F HA -0.280 4.247 4.527 0.000 0.000 0.301 1077 F C 1.748 177.552 175.800 0.008 0.000 1.084 1077 F CA 1.179 59.178 58.000 -0.003 0.000 1.268 1077 F CB -0.030 38.965 39.000 -0.008 0.000 1.009 1077 F HN 0.437 nan 8.300 nan 0.000 0.486 1078 L N 0.296 121.517 121.223 -0.003 0.000 1.948 1078 L HA -0.189 4.151 4.340 0.000 0.000 0.212 1078 L C 2.266 179.062 176.870 -0.123 0.000 1.074 1078 L CA 1.932 56.724 54.840 -0.079 0.000 0.753 1078 L CB -1.171 40.867 42.059 -0.035 0.000 0.888 1078 L HN 0.186 nan 8.230 nan 0.000 0.432 1079 L N -0.773 120.302 121.223 -0.247 0.000 2.129 1079 L HA -0.295 4.045 4.340 0.000 0.000 0.212 1079 L C 2.650 179.457 176.870 -0.105 0.000 1.087 1079 L CA 1.435 56.060 54.840 -0.357 0.000 0.757 1079 L CB -0.782 40.537 42.059 -1.234 0.000 0.896 1079 L HN 0.499 nan 8.230 nan 0.000 0.434 1080 Q N -1.039 118.734 119.800 -0.044 0.000 2.061 1080 Q HA -0.260 4.080 4.340 0.000 0.000 0.204 1080 Q C 2.273 178.388 176.000 0.191 0.000 0.984 1080 Q CA 1.736 57.716 55.803 0.295 0.000 0.846 1080 Q CB -0.326 28.518 28.738 0.178 0.000 0.902 1080 Q HN 0.589 nan 8.270 nan 0.000 0.421 1081 H N 0.858 119.837 119.070 -0.152 0.000 2.326 1081 H HA -0.075 4.481 4.556 0.000 0.000 0.301 1081 H C 1.624 176.883 175.328 -0.114 0.000 1.081 1081 H CA 1.355 57.278 56.048 -0.207 0.000 1.334 1081 H CB 0.287 29.835 29.762 -0.356 0.000 1.385 1081 H HN 0.223 nan 8.280 nan 0.000 0.504 1082 N N 1.005 119.731 118.700 0.043 0.000 2.058 1082 N HA -0.143 4.597 4.740 0.000 0.000 0.191 1082 N C 2.192 177.687 175.510 -0.026 0.000 1.037 1082 N CA 0.874 53.933 53.050 0.015 0.000 0.848 1082 N CB -0.300 38.218 38.487 0.052 0.000 1.021 1082 N HN 0.306 nan 8.380 nan 0.000 0.422 1083 I N 1.678 122.290 120.570 0.071 0.000 2.151 1083 I HA -0.245 3.925 4.170 0.000 0.000 0.243 1083 I C 2.484 178.536 176.117 -0.108 0.000 1.080 1083 I CA 1.026 62.374 61.300 0.080 0.000 1.339 1083 I CB -0.832 37.333 38.000 0.276 0.000 1.039 1083 I HN 0.179 nan 8.210 nan 0.000 0.409 1084 R N 0.581 120.945 120.500 -0.226 0.000 2.083 1084 R HA -0.193 4.147 4.340 0.000 0.000 0.237 1084 R C 2.327 178.461 176.300 -0.276 0.000 1.137 1084 R CA 1.454 57.330 56.100 -0.373 0.000 0.951 1084 R CB 0.035 30.070 30.300 -0.441 0.000 0.851 1084 R HN 0.202 nan 8.270 nan 0.000 0.434 1085 K N -0.169 120.067 120.400 -0.273 0.000 2.025 1085 K HA -0.027 4.293 4.320 0.000 0.000 0.207 1085 K C 2.164 178.684 176.600 -0.133 0.000 1.049 1085 K CA 1.501 57.660 56.287 -0.213 0.000 0.933 1085 K CB -0.276 32.095 32.500 -0.216 0.000 0.714 1085 K HN 0.119 nan 8.250 nan 0.000 0.438 1086 S N 1.484 117.114 115.700 -0.116 0.000 2.374 1086 S HA -0.180 4.290 4.470 0.000 0.000 0.227 1086 S C 1.962 176.513 174.600 -0.081 0.000 1.037 1086 S CA 1.506 59.649 58.200 -0.096 0.000 1.024 1086 S CB -0.128 63.008 63.200 -0.107 0.000 0.861 1086 S HN 0.343 nan 8.310 nan 0.000 0.456 1087 K N 1.278 121.617 120.400 -0.102 0.000 2.002 1087 K HA -0.100 4.220 4.320 0.000 0.000 0.209 1087 K C 2.407 178.976 176.600 -0.052 0.000 1.048 1087 K CA 1.298 57.532 56.287 -0.089 0.000 0.930 1087 K CB -0.202 32.215 32.500 -0.138 0.000 0.714 1087 K HN 0.150 nan 8.250 nan 0.000 0.438 1088 R N 0.460 120.911 120.500 -0.082 0.000 2.117 1088 R HA -0.175 4.165 4.340 0.000 0.000 0.243 1088 R C 1.756 178.038 176.300 -0.029 0.000 1.143 1088 R CA 2.064 58.130 56.100 -0.058 0.000 0.968 1088 R CB -0.143 30.105 30.300 -0.087 0.000 0.863 1088 R HN 0.262 nan 8.270 nan 0.000 0.444 1089 N N 0.343 119.024 118.700 -0.032 0.000 2.047 1089 N HA -0.149 4.591 4.740 0.000 0.000 0.193 1089 N C 1.564 177.086 175.510 0.019 0.000 1.055 1089 N CA 1.099 54.135 53.050 -0.023 0.000 0.847 1089 N CB -0.509 37.965 38.487 -0.022 0.000 1.038 1089 N HN 0.047 nan 8.380 nan 0.000 0.427 1090 L N 1.532 122.817 121.223 0.103 0.000 2.054 1090 L HA -0.333 4.007 4.340 0.000 0.000 0.220 1090 L C 2.153 179.239 176.870 0.360 0.000 1.081 1090 L CA 1.950 56.978 54.840 0.313 0.000 0.780 1090 L CB -1.119 41.095 42.059 0.259 0.000 0.893 1090 L HN 0.384 nan 8.230 nan 0.000 0.438 1091 Q N 0.402 120.346 119.800 0.241 0.000 1.956 1091 Q HA -0.238 4.102 4.340 0.000 0.000 0.208 1091 Q C 1.091 177.178 176.000 0.145 0.000 0.998 1091 Q CA 2.580 58.553 55.803 0.284 0.000 0.855 1091 Q CB -0.181 28.639 28.738 0.137 0.000 0.928 1091 Q HN 0.735 nan 8.270 nan 0.000 0.418 1092 D N -1.246 119.168 120.400 0.024 0.000 2.395 1092 D HA -0.016 4.624 4.640 0.000 0.000 0.250 1092 D C 0.153 176.356 176.300 -0.162 0.000 1.203 1092 D CA 0.325 54.295 54.000 -0.050 0.000 0.872 1092 D CB -0.338 40.435 40.800 -0.044 0.000 0.941 1092 D HN 0.375 nan 8.370 nan 0.000 0.504 1093 N N -1.269 117.261 118.700 -0.283 0.000 2.211 1093 N HA 0.200 4.940 4.740 0.000 0.000 0.216 1093 N C -0.055 174.873 175.510 -0.971 0.000 1.240 1093 N CA -0.004 52.640 53.050 -0.676 0.000 0.895 1093 N CB 0.568 38.478 38.487 -0.963 0.000 1.102 1093 N HN 0.083 nan 8.380 nan 0.000 0.498 1094 F N -0.163 119.719 119.950 -0.112 0.000 2.915 1094 F HA 0.264 4.791 4.527 0.000 0.000 0.347 1094 F C 1.496 176.903 175.800 -0.656 0.000 1.104 1094 F CA -0.306 57.519 58.000 -0.291 0.000 1.126 1094 F CB 0.549 39.422 39.000 -0.212 0.000 1.145 1094 F HN -0.156 nan 8.300 nan 0.000 0.541 1095 Q N 0.983 120.537 119.800 -0.409 0.000 2.515 1095 Q HA -0.052 4.288 4.340 0.000 0.000 0.214 1095 Q C 0.891 176.752 176.000 -0.232 0.000 0.971 1095 Q CA 0.948 56.476 55.803 -0.458 0.000 0.952 1095 Q CB 0.196 28.916 28.738 -0.031 0.000 0.999 1095 Q HN 0.274 nan 8.270 nan 0.000 0.524 1096 E N -0.699 119.389 120.200 -0.188 0.000 2.702 1096 E HA 0.064 4.414 4.350 0.000 0.000 0.225 1096 E C -0.738 175.816 176.600 -0.077 0.000 0.942 1096 E CA 0.183 56.525 56.400 -0.096 0.000 1.210 1096 E CB 1.115 30.775 29.700 -0.066 0.000 1.143 1096 E HN 0.076 nan 8.360 nan 0.000 0.544 1097 D N 0.141 120.487 120.400 -0.091 0.000 3.118 1097 D HA 0.168 4.808 4.640 0.000 0.000 0.259 1097 D C -2.360 173.932 176.300 -0.013 0.000 1.292 1097 D CA -1.409 52.577 54.000 -0.022 0.000 0.784 1097 D CB 0.984 41.800 40.800 0.028 0.000 1.413 1097 D HN -0.196 nan 8.370 nan 0.000 0.583 1098 P HA 0.054 nan 4.420 nan 0.000 0.225 1098 P C 1.532 178.803 177.300 -0.047 0.000 1.156 1098 P CA 0.373 63.398 63.100 -0.126 0.000 0.787 1098 P CB 0.443 32.071 31.700 -0.120 0.000 0.802 1099 I N 0.308 120.867 120.570 -0.017 0.000 2.226 1099 I HA -0.282 3.888 4.170 0.000 0.000 0.245 1099 I C 2.649 178.746 176.117 -0.034 0.000 1.100 1099 I CA 1.679 62.974 61.300 -0.007 0.000 1.374 1099 I CB -1.253 36.751 38.000 0.006 0.000 1.057 1099 I HN 0.031 nan 8.210 nan 0.000 0.413 1100 Q N 0.922 120.709 119.800 -0.022 0.000 2.172 1100 Q HA -0.211 4.129 4.340 0.000 0.000 0.200 1100 Q C 2.310 178.190 176.000 -0.199 0.000 0.964 1100 Q CA 1.503 57.287 55.803 -0.032 0.000 0.855 1100 Q CB -0.422 28.363 28.738 0.078 0.000 0.918 1100 Q HN 0.567 nan 8.270 nan 0.000 0.444 1101 M N 0.471 119.827 119.600 -0.407 0.000 2.159 1101 M HA -0.136 4.344 4.480 0.000 0.000 0.263 1101 M C 1.630 177.590 176.300 -0.567 0.000 1.063 1101 M CA 1.665 56.418 55.300 -0.912 0.000 1.110 1101 M CB 0.062 32.013 32.600 -1.082 0.000 1.374 1101 M HN 0.300 nan 8.290 nan 0.000 0.411 1102 S N 0.759 116.307 115.700 -0.253 0.000 2.355 1102 S HA -0.112 4.358 4.470 0.000 0.000 0.222 1102 S C 1.786 176.327 174.600 -0.097 0.000 1.031 1102 S CA 1.582 59.746 58.200 -0.059 0.000 0.993 1102 S CB -0.298 62.982 63.200 0.132 0.000 0.859 1102 S HN 0.546 nan 8.310 nan 0.000 0.453 1103 M N 0.830 120.377 119.600 -0.087 0.000 2.149 1103 M HA -0.119 4.361 4.480 0.000 0.000 0.261 1103 M C 1.799 178.047 176.300 -0.086 0.000 1.064 1103 M CA 1.205 56.483 55.300 -0.036 0.000 1.102 1103 M CB -0.672 31.906 32.600 -0.037 0.000 1.369 1103 M HN 0.262 nan 8.290 nan 0.000 0.408 1104 I N 0.631 121.056 120.570 -0.242 0.000 2.113 1104 I HA -0.262 3.908 4.170 0.000 0.000 0.238 1104 I C 2.415 178.254 176.117 -0.463 0.000 1.070 1104 I CA 1.777 62.882 61.300 -0.326 0.000 1.332 1104 I CB -1.153 36.590 38.000 -0.428 0.000 1.044 1104 I HN 0.313 nan 8.210 nan 0.000 0.402 1105 I N -0.091 120.032 120.570 -0.745 0.000 2.208 1105 I HA -0.372 3.798 4.170 0.000 0.000 0.245 1105 I C 2.742 178.542 176.117 -0.530 0.000 1.097 1105 I CA 1.678 62.419 61.300 -0.932 0.000 1.363 1105 I CB -0.725 36.310 38.000 -1.608 0.000 1.051 1105 I HN 0.189 nan 8.210 nan 0.000 0.413 1106 Y N 2.492 122.572 120.300 -0.366 0.000 2.049 1106 Y HA -0.355 4.195 4.550 0.000 0.000 0.277 1106 Y C 2.964 178.798 175.900 -0.110 0.000 1.143 1106 Y CA 2.153 60.185 58.100 -0.113 0.000 1.115 1106 Y CB -0.626 37.831 38.460 -0.006 0.000 0.975 1106 Y HN 0.242 nan 8.280 nan 0.000 0.487 1107 S N -1.042 114.553 115.700 -0.175 0.000 2.399 1107 S HA -0.247 4.223 4.470 0.000 0.000 0.231 1107 S C 2.182 176.631 174.600 -0.252 0.000 1.022 1107 S CA 1.245 59.304 58.200 -0.235 0.000 0.983 1107 S CB -1.509 61.663 63.200 -0.046 0.000 0.803 1107 S HN 0.598 nan 8.310 nan 0.000 0.480 1108 C N 1.288 120.431 119.300 -0.260 0.000 2.432 1108 C HA 0.131 4.591 4.460 0.000 0.000 0.277 1108 C C 2.732 177.632 174.990 -0.150 0.000 1.249 1108 C CA 0.665 59.538 59.018 -0.241 0.000 1.725 1108 C CB -1.536 26.008 27.740 -0.327 0.000 2.028 1108 C HN 0.612 nan 8.230 nan 0.000 0.477 1109 L N 0.503 121.620 121.223 -0.178 0.000 2.093 1109 L HA -0.135 4.205 4.340 0.000 0.000 0.208 1109 L C 2.793 179.588 176.870 -0.126 0.000 1.085 1109 L CA 1.306 56.091 54.840 -0.091 0.000 0.755 1109 L CB -0.719 41.286 42.059 -0.089 0.000 0.904 1109 L HN 0.319 nan 8.230 nan 0.000 0.435 1110 K N 0.546 120.777 120.400 -0.282 0.000 2.097 1110 K HA -0.238 4.082 4.320 0.000 0.000 0.206 1110 K C 1.896 178.407 176.600 -0.148 0.000 1.049 1110 K CA 1.570 57.680 56.287 -0.294 0.000 0.933 1110 K CB 0.100 32.257 32.500 -0.572 0.000 0.717 1110 K HN 0.144 nan 8.250 nan 0.000 0.442 1111 E N 0.882 121.009 120.200 -0.122 0.000 2.358 1111 E HA -0.078 4.272 4.350 0.000 0.000 0.195 1111 E C 1.457 178.056 176.600 -0.001 0.000 1.010 1111 E CA 0.870 57.237 56.400 -0.055 0.000 0.856 1111 E CB 0.220 29.885 29.700 -0.058 0.000 0.795 1111 E HN 0.348 nan 8.360 nan 0.000 0.504 1112 E N -0.234 119.978 120.200 0.019 0.000 2.072 1112 E HA -0.112 4.238 4.350 0.000 0.000 0.190 1112 E C 2.149 178.774 176.600 0.043 0.000 0.982 1112 E CA 0.574 57.022 56.400 0.079 0.000 0.803 1112 E CB -0.041 29.748 29.700 0.148 0.000 0.755 1112 E HN 0.140 nan 8.360 nan 0.000 0.453 1113 R N 1.293 121.801 120.500 0.013 0.000 2.080 1113 R HA -0.143 4.197 4.340 0.000 0.000 0.236 1113 R C 2.327 178.623 176.300 -0.007 0.000 1.137 1113 R CA 1.551 57.651 56.100 0.000 0.000 0.943 1113 R CB -0.141 30.151 30.300 -0.013 0.000 0.846 1113 R HN 0.043 nan 8.270 nan 0.000 0.431 1114 K N 0.372 120.768 120.400 -0.007 0.000 2.077 1114 K HA -0.221 4.099 4.320 0.000 0.000 0.213 1114 K C 2.056 178.662 176.600 0.011 0.000 1.051 1114 K CA 1.858 58.145 56.287 -0.000 0.000 0.929 1114 K CB -0.382 32.120 32.500 0.004 0.000 0.715 1114 K HN 0.239 nan 8.250 nan 0.000 0.451 1115 I N 0.984 121.572 120.570 0.030 0.000 2.361 1115 I HA -0.266 3.904 4.170 0.000 0.000 0.251 1115 I C 2.140 178.234 176.117 -0.038 0.000 1.133 1115 I CA 1.120 62.455 61.300 0.058 0.000 1.413 1115 I CB -0.209 37.851 38.000 0.100 0.000 1.073 1115 I HN 0.158 nan 8.210 nan 0.000 0.424 1116 L N 0.108 121.295 121.223 -0.061 0.000 2.270 1116 L HA -0.114 4.226 4.340 0.000 0.000 0.210 1116 L C 2.530 179.328 176.870 -0.120 0.000 1.104 1116 L CA 0.855 55.622 54.840 -0.121 0.000 0.804 1116 L CB -0.353 41.665 42.059 -0.068 0.000 0.937 1116 L HN 0.290 nan 8.230 nan 0.000 0.450 1117 E N 0.654 120.812 120.200 -0.071 0.000 2.076 1117 E HA -0.218 4.132 4.350 0.000 0.000 0.190 1117 E C 1.736 178.292 176.600 -0.073 0.000 0.979 1117 E CA 0.923 57.286 56.400 -0.063 0.000 0.807 1117 E CB 0.063 29.742 29.700 -0.036 0.000 0.761 1117 E HN 0.467 nan 8.360 nan 0.000 0.454 1118 N N -0.809 117.864 118.700 -0.045 0.000 2.515 1118 N HA -0.001 4.739 4.740 0.000 0.000 0.185 1118 N C 1.007 176.513 175.510 -0.006 0.000 1.109 1118 N CA 0.453 53.500 53.050 -0.004 0.000 0.903 1118 N CB 0.153 38.677 38.487 0.062 0.000 0.969 1118 N HN 0.145 nan 8.380 nan 0.000 0.450 1119 A N -0.158 122.543 122.820 -0.199 0.000 2.345 1119 A HA 0.124 4.444 4.320 0.000 0.000 0.225 1119 A C 0.985 178.364 177.584 -0.342 0.000 1.243 1119 A CA -0.104 51.588 52.037 -0.576 0.000 0.875 1119 A CB 0.220 18.563 19.000 -1.095 0.000 0.929 1119 A HN 0.331 nan 8.150 nan 0.000 0.502 1120 Q N 1.187 120.873 119.800 -0.191 0.000 2.297 1120 Q HA 0.075 4.415 4.340 0.000 0.000 0.265 1120 Q C -0.082 175.837 176.000 -0.135 0.000 0.904 1120 Q CA -0.497 55.221 55.803 -0.142 0.000 0.969 1120 Q CB -0.085 28.583 28.738 -0.116 0.000 1.115 1120 Q HN 0.732 nan 8.270 nan 0.000 0.433 1121 R N -0.742 119.700 120.500 -0.097 0.000 2.705 1121 R HA -0.060 4.280 4.340 0.000 0.000 0.264 1121 R C -0.543 175.736 176.300 -0.035 0.000 0.988 1121 R CA -0.122 55.933 56.100 -0.074 0.000 1.103 1121 R CB 0.063 30.406 30.300 0.072 0.000 0.950 1121 R HN -0.089 nan 8.270 nan 0.000 0.427 1122 F N 1.761 121.734 119.950 0.037 0.000 2.628 1122 F HA -0.051 4.476 4.527 0.000 0.000 0.346 1122 F C 1.109 176.924 175.800 0.026 0.000 1.188 1122 F CA 0.839 58.855 58.000 0.027 0.000 1.376 1122 F CB -0.124 38.892 39.000 0.027 0.000 1.104 1122 F HN 0.795 nan 8.300 nan 0.000 0.616 1136 L N 0.564 121.820 121.223 0.056 0.000 2.201 1136 L HA -0.010 4.330 4.340 0.000 0.000 0.212 1136 L C 1.731 178.637 176.870 0.060 0.000 1.105 1136 L CA 2.744 57.622 54.840 0.062 0.000 0.775 1136 L CB -2.009 40.078 42.059 0.048 0.000 0.913 1136 L HN 0.597 nan 8.230 nan 0.000 0.440 1137 D N -0.291 120.136 120.400 0.045 0.000 2.088 1137 D HA -0.214 4.426 4.640 0.000 0.000 0.196 1137 D C 1.963 178.281 176.300 0.030 0.000 0.983 1137 D CA 1.599 55.618 54.000 0.032 0.000 0.846 1137 D CB -0.135 40.678 40.800 0.021 0.000 0.992 1137 D HN 0.567 nan 8.370 nan 0.000 0.448 1138 K N 0.431 120.846 120.400 0.025 0.000 2.044 1138 K HA -0.252 4.068 4.320 0.000 0.000 0.224 1138 K C 2.219 178.825 176.600 0.010 0.000 1.056 1138 K CA 1.687 57.977 56.287 0.005 0.000 0.962 1138 K CB -0.209 32.304 32.500 0.022 0.000 0.730 1138 K HN 0.191 nan 8.250 nan 0.000 0.453 1139 Q N 0.137 120.001 119.800 0.108 0.000 2.045 1139 Q HA -0.219 4.121 4.340 0.000 0.000 0.206 1139 Q C 2.489 178.597 176.000 0.180 0.000 0.991 1139 Q CA 2.420 58.370 55.803 0.245 0.000 0.851 1139 Q CB -0.898 28.023 28.738 0.304 0.000 0.911 1139 Q HN 0.488 nan 8.270 nan 0.000 0.418 1140 K N 1.470 121.939 120.400 0.116 0.000 2.074 1140 K HA -0.234 4.086 4.320 0.000 0.000 0.209 1140 K C 1.903 178.529 176.600 0.042 0.000 1.048 1140 K CA 1.941 58.280 56.287 0.086 0.000 0.926 1140 K CB -0.788 31.747 32.500 0.058 0.000 0.713 1140 K HN 0.348 nan 8.250 nan 0.000 0.444 1141 E N 0.241 120.441 120.200 0.000 0.000 2.031 1141 E HA -0.115 4.235 4.350 0.000 0.000 0.193 1141 E C 1.940 178.479 176.600 -0.103 0.000 0.994 1141 E CA 1.245 57.619 56.400 -0.044 0.000 0.800 1141 E CB -0.460 29.207 29.700 -0.056 0.000 0.752 1141 E HN 0.312 nan 8.360 nan 0.000 0.447 1142 L N 1.460 122.565 121.223 -0.196 0.000 2.021 1142 L HA -0.226 4.114 4.340 0.000 0.000 0.215 1142 L C 1.626 178.300 176.870 -0.328 0.000 1.074 1142 L CA 2.285 56.870 54.840 -0.425 0.000 0.760 1142 L CB -0.855 40.662 42.059 -0.902 0.000 0.889 1142 L HN 0.215 nan 8.230 nan 0.000 0.433 1143 D N -1.526 118.842 120.400 -0.054 0.000 2.182 1143 D HA -0.188 4.452 4.640 0.000 0.000 0.201 1143 D C 2.222 178.550 176.300 0.047 0.000 0.986 1143 D CA 1.446 55.540 54.000 0.157 0.000 0.847 1143 D CB 0.072 41.023 40.800 0.251 0.000 0.942 1143 D HN 0.422 nan 8.370 nan 0.000 0.467 1144 S N 0.190 115.886 115.700 -0.006 0.000 2.335 1144 S HA -0.106 4.364 4.470 0.000 0.000 0.217 1144 S C 1.810 176.385 174.600 -0.042 0.000 1.032 1144 S CA 0.873 59.065 58.200 -0.014 0.000 0.985 1144 S CB 0.159 63.349 63.200 -0.017 0.000 0.896 1144 S HN 0.098 nan 8.310 nan 0.000 0.445 1145 K N 0.488 120.838 120.400 -0.084 0.000 2.020 1145 K HA -0.099 4.221 4.320 0.000 0.000 0.212 1145 K C 2.069 178.614 176.600 -0.091 0.000 1.050 1145 K CA 1.721 57.950 56.287 -0.097 0.000 0.929 1145 K CB -0.681 31.736 32.500 -0.137 0.000 0.714 1145 K HN 0.232 nan 8.250 nan 0.000 0.443 1146 V N 1.424 121.265 119.914 -0.121 0.000 2.231 1146 V HA -0.321 3.799 4.120 0.000 0.000 0.248 1146 V C 2.473 178.560 176.094 -0.011 0.000 1.054 1146 V CA 2.137 64.392 62.300 -0.075 0.000 1.015 1146 V CB -0.571 31.218 31.823 -0.058 0.000 0.638 1146 V HN 0.369 nan 8.190 nan 0.000 0.444 1147 R N 0.255 120.764 120.500 0.014 0.000 2.117 1147 R HA -0.271 4.069 4.340 0.000 0.000 0.243 1147 R C 2.189 178.491 176.300 0.004 0.000 1.143 1147 R CA 2.353 58.469 56.100 0.025 0.000 0.968 1147 R CB -0.449 29.871 30.300 0.033 0.000 0.863 1147 R HN 0.657 nan 8.270 nan 0.000 0.444 1148 N N 0.055 118.747 118.700 -0.013 0.000 2.013 1148 N HA -0.168 4.572 4.740 0.000 0.000 0.195 1148 N C 1.723 177.220 175.510 -0.022 0.000 1.051 1148 N CA 2.249 55.286 53.050 -0.020 0.000 0.851 1148 N CB -0.457 38.010 38.487 -0.033 0.000 1.044 1148 N HN 0.068 nan 8.380 nan 0.000 0.422 1149 V N 1.473 121.368 119.914 -0.031 0.000 2.252 1149 V HA -0.360 3.760 4.120 0.000 0.000 0.255 1149 V C 2.537 178.623 176.094 -0.014 0.000 1.071 1149 V CA 2.390 64.672 62.300 -0.030 0.000 1.050 1149 V CB -0.873 30.926 31.823 -0.040 0.000 0.654 1149 V HN 0.523 nan 8.190 nan 0.000 0.448 1150 K N -0.067 120.332 120.400 -0.002 0.000 1.977 1150 K HA -0.293 4.027 4.320 0.000 0.000 0.218 1150 K C 1.930 178.536 176.600 0.009 0.000 1.051 1150 K CA 2.442 58.735 56.287 0.011 0.000 0.953 1150 K CB -0.579 31.935 32.500 0.023 0.000 0.727 1150 K HN 0.516 nan 8.250 nan 0.000 0.445 1151 D N 0.797 121.201 120.400 0.007 0.000 2.133 1151 D HA -0.193 4.447 4.640 0.000 0.000 0.192 1151 D C 1.950 178.252 176.300 0.003 0.000 1.001 1151 D CA 1.412 55.416 54.000 0.006 0.000 0.844 1151 D CB -0.201 40.599 40.800 0.000 0.000 0.944 1151 D HN 0.357 nan 8.370 nan 0.000 0.447 1152 K N 0.450 120.846 120.400 -0.007 0.000 2.063 1152 K HA -0.101 4.219 4.320 0.000 0.000 0.208 1152 K C 2.304 178.902 176.600 -0.003 0.000 1.048 1152 K CA 0.655 56.934 56.287 -0.013 0.000 0.928 1152 K CB -0.259 32.225 32.500 -0.027 0.000 0.713 1152 K HN 0.046 nan 8.250 nan 0.000 0.442 1153 V N 1.823 121.737 119.914 0.000 0.000 2.255 1153 V HA -0.293 3.827 4.120 0.000 0.000 0.247 1153 V C 2.406 178.514 176.094 0.023 0.000 1.051 1153 V CA 1.740 64.044 62.300 0.007 0.000 1.018 1153 V CB -0.376 31.450 31.823 0.004 0.000 0.641 1153 V HN 0.389 nan 8.190 nan 0.000 0.445 1154 M N -0.826 118.792 119.600 0.031 0.000 2.149 1154 M HA -0.261 4.219 4.480 0.000 0.000 0.261 1154 M C 2.367 178.717 176.300 0.084 0.000 1.064 1154 M CA 2.257 57.591 55.300 0.056 0.000 1.102 1154 M CB -0.488 32.145 32.600 0.055 0.000 1.369 1154 M HN 0.612 nan 8.290 nan 0.000 0.408 1155 C N 0.554 119.885 119.300 0.052 0.000 2.413 1155 C HA -0.170 4.290 4.460 0.000 0.000 0.276 1155 C C 2.491 177.527 174.990 0.078 0.000 1.248 1155 C CA 0.892 59.939 59.018 0.050 0.000 1.742 1155 C CB -1.006 26.739 27.740 0.009 0.000 2.017 1155 C HN 0.589 nan 8.230 nan 0.000 0.481 1156 I N 0.568 121.168 120.570 0.051 0.000 2.113 1156 I HA -0.190 3.980 4.170 0.000 0.000 0.238 1156 I C 2.714 178.869 176.117 0.064 0.000 1.070 1156 I CA 2.126 63.455 61.300 0.048 0.000 1.332 1156 I CB -0.868 37.148 38.000 0.026 0.000 1.044 1156 I HN 0.471 nan 8.210 nan 0.000 0.402 1157 E N 0.256 120.489 120.200 0.054 0.000 2.233 1157 E HA -0.327 4.023 4.350 0.000 0.000 0.199 1157 E C 2.083 178.701 176.600 0.030 0.000 1.004 1157 E CA 1.449 57.869 56.400 0.034 0.000 0.819 1157 E CB -0.128 29.585 29.700 0.022 0.000 0.738 1157 E HN 0.545 nan 8.360 nan 0.000 0.478 1158 H N 0.088 119.164 119.070 0.009 0.000 2.448 1158 H HA 0.050 4.606 4.556 0.000 0.000 0.292 1158 H C 1.555 176.892 175.328 0.014 0.000 1.035 1158 H CA 1.110 57.165 56.048 0.010 0.000 1.349 1158 H CB 0.467 30.234 29.762 0.008 0.000 1.425 1158 H HN 0.319 nan 8.280 nan 0.000 0.539 1159 E N -0.076 120.218 120.200 0.157 0.000 2.170 1159 E HA -0.056 4.294 4.350 0.000 0.000 0.191 1159 E C 2.251 178.892 176.600 0.069 0.000 0.981 1159 E CA 0.003 56.469 56.400 0.110 0.000 0.830 1159 E CB 0.482 30.235 29.700 0.087 0.000 0.775 1159 E HN 0.319 nan 8.360 nan 0.000 0.470 1160 I N 1.912 122.512 120.570 0.051 0.000 2.208 1160 I HA -0.293 3.877 4.170 0.000 0.000 0.245 1160 I C 2.792 178.918 176.117 0.016 0.000 1.097 1160 I CA 1.810 63.130 61.300 0.033 0.000 1.363 1160 I CB -1.171 36.843 38.000 0.024 0.000 1.051 1160 I HN 0.095 nan 8.210 nan 0.000 0.413 1161 K N 0.471 120.865 120.400 -0.011 0.000 2.097 1161 K HA -0.122 4.198 4.320 0.000 0.000 0.206 1161 K C 2.226 178.822 176.600 -0.007 0.000 1.049 1161 K CA 1.813 58.077 56.287 -0.038 0.000 0.933 1161 K CB -1.112 31.316 32.500 -0.119 0.000 0.717 1161 K HN 0.334 nan 8.250 nan 0.000 0.442 1162 S N 0.249 115.965 115.700 0.026 0.000 2.406 1162 S HA -0.021 4.449 4.470 0.000 0.000 0.228 1162 S C 1.940 176.566 174.600 0.043 0.000 1.020 1162 S CA 0.977 59.205 58.200 0.046 0.000 0.965 1162 S CB -0.169 63.078 63.200 0.078 0.000 0.798 1162 S HN 0.417 nan 8.310 nan 0.000 0.488 1163 L N 2.161 123.412 121.223 0.046 0.000 2.027 1163 L HA 0.013 4.353 4.340 0.000 0.000 0.206 1163 L C 2.268 179.160 176.870 0.037 0.000 1.074 1163 L CA 1.874 56.744 54.840 0.051 0.000 0.745 1163 L CB -0.802 41.290 42.059 0.056 0.000 0.898 1163 L HN 0.291 nan 8.230 nan 0.000 0.433 1164 E N -0.894 119.320 120.200 0.024 0.000 2.085 1164 E HA -0.253 4.097 4.350 0.000 0.000 0.194 1164 E C 1.671 178.276 176.600 0.009 0.000 0.994 1164 E CA 1.530 57.938 56.400 0.013 0.000 0.801 1164 E CB 0.002 29.704 29.700 0.004 0.000 0.743 1164 E HN 0.542 nan 8.360 nan 0.000 0.453 1165 D N 0.637 121.043 120.400 0.009 0.000 2.097 1165 D HA -0.158 4.482 4.640 0.000 0.000 0.197 1165 D C 2.165 178.479 176.300 0.022 0.000 0.984 1165 D CA 0.623 54.627 54.000 0.006 0.000 0.826 1165 D CB -0.324 40.477 40.800 0.002 0.000 0.973 1165 D HN 0.239 nan 8.370 nan 0.000 0.460 1166 L N 0.692 121.939 121.223 0.039 0.000 1.971 1166 L HA -0.286 4.054 4.340 0.000 0.000 0.215 1166 L C 2.702 179.628 176.870 0.092 0.000 1.072 1166 L CA 1.566 56.448 54.840 0.070 0.000 0.758 1166 L CB -0.419 41.689 42.059 0.082 0.000 0.889 1166 L HN 0.114 nan 8.230 nan 0.000 0.433 1167 Q N -0.275 119.544 119.800 0.031 0.000 2.133 1167 Q HA -0.281 4.059 4.340 0.000 0.000 0.208 1167 Q C 1.773 177.752 176.000 -0.036 0.000 0.991 1167 Q CA 2.300 58.054 55.803 -0.082 0.000 0.867 1167 Q CB 0.015 28.698 28.738 -0.092 0.000 0.911 1167 Q HN 0.509 nan 8.270 nan 0.000 0.417 1168 D N -0.081 120.325 120.400 0.010 0.000 2.097 1168 D HA -0.167 4.473 4.640 0.000 0.000 0.195 1168 D C 1.757 178.112 176.300 0.093 0.000 0.989 1168 D CA 1.314 55.334 54.000 0.033 0.000 0.827 1168 D CB -0.131 40.674 40.800 0.009 0.000 0.966 1168 D HN 0.438 nan 8.370 nan 0.000 0.456 1169 E N 0.181 120.431 120.200 0.084 0.000 2.012 1169 E HA -0.201 4.149 4.350 0.000 0.000 0.197 1169 E C 2.119 178.857 176.600 0.230 0.000 1.007 1169 E CA 0.710 57.179 56.400 0.115 0.000 0.816 1169 E CB -0.519 29.221 29.700 0.066 0.000 0.762 1169 E HN 0.426 nan 8.360 nan 0.000 0.451 1170 Y N 2.010 122.309 120.300 -0.002 0.000 2.029 1170 Y HA -0.422 4.128 4.550 0.000 0.000 0.269 1170 Y C 2.328 178.194 175.900 -0.056 0.000 1.201 1170 Y CA 2.041 60.102 58.100 -0.066 0.000 1.115 1170 Y CB -0.226 38.148 38.460 -0.142 0.000 0.945 1170 Y HN 0.142 nan 8.280 nan 0.000 0.497 1171 D N -0.494 120.054 120.400 0.246 0.000 2.108 1171 D HA -0.330 4.310 4.640 0.000 0.000 0.190 1171 D C 2.015 178.415 176.300 0.167 0.000 0.995 1171 D CA 2.041 56.110 54.000 0.114 0.000 0.834 1171 D CB -0.784 40.032 40.800 0.027 0.000 0.967 1171 D HN 0.415 nan 8.370 nan 0.000 0.446 1172 F N 0.955 120.929 119.950 0.041 0.000 2.111 1172 F HA -0.246 4.281 4.527 0.000 0.000 0.300 1172 F C 2.243 178.058 175.800 0.026 0.000 1.088 1172 F CA 2.079 60.095 58.000 0.027 0.000 1.243 1172 F CB -0.242 38.769 39.000 0.019 0.000 0.996 1172 F HN -0.056 nan 8.300 nan 0.000 0.483 1173 K N -0.624 119.883 120.400 0.179 0.000 2.057 1173 K HA -0.158 4.162 4.320 0.000 0.000 0.206 1173 K C 2.233 178.810 176.600 -0.038 0.000 1.050 1173 K CA 1.604 57.917 56.287 0.044 0.000 0.935 1173 K CB -0.512 32.017 32.500 0.048 0.000 0.715 1173 K HN 0.393 nan 8.250 nan 0.000 0.439 1174 C N 1.131 120.441 119.300 0.017 0.000 2.442 1174 C HA -0.064 4.396 4.460 0.000 0.000 0.279 1174 C C 2.349 177.318 174.990 -0.036 0.000 1.237 1174 C CA 0.889 59.917 59.018 0.015 0.000 1.722 1174 C CB -0.643 27.155 27.740 0.097 0.000 2.056 1174 C HN 0.529 nan 8.230 nan 0.000 0.469 1175 K N 0.162 120.528 120.400 -0.058 0.000 2.089 1175 K HA -0.218 4.102 4.320 0.000 0.000 0.210 1175 K C 1.938 178.439 176.600 -0.164 0.000 1.048 1175 K CA 2.122 58.347 56.287 -0.103 0.000 0.926 1175 K CB -0.629 31.795 32.500 -0.128 0.000 0.714 1175 K HN 0.511 nan 8.250 nan 0.000 0.448 1176 T N 1.955 116.349 114.554 -0.266 0.000 2.684 1176 T HA -0.126 4.224 4.350 0.000 0.000 0.267 1176 T C 1.859 176.479 174.700 -0.134 0.000 1.036 1176 T CA 1.168 63.111 62.100 -0.262 0.000 1.148 1176 T CB -0.193 68.475 68.868 -0.334 0.000 0.863 1176 T HN 0.121 nan 8.240 nan 0.000 0.436 1177 L N 1.119 122.286 121.223 -0.094 0.000 1.961 1177 L HA -0.117 4.223 4.340 0.000 0.000 0.210 1177 L C 2.372 179.216 176.870 -0.043 0.000 1.072 1177 L CA 1.362 56.170 54.840 -0.054 0.000 0.749 1177 L CB -0.817 41.221 42.059 -0.035 0.000 0.889 1177 L HN 0.441 nan 8.230 nan 0.000 0.432 1178 Q N 0.127 119.906 119.800 -0.035 0.000 2.336 1178 Q HA -0.017 4.323 4.340 0.000 0.000 0.231 1178 Q C -0.059 175.921 176.000 -0.032 0.000 0.900 1178 Q CA 0.317 56.107 55.803 -0.022 0.000 0.966 1178 Q CB -0.246 28.488 28.738 -0.005 0.000 1.219 1178 Q HN 0.430 nan 8.270 nan 0.000 0.412 1179 N N 0.304 118.977 118.700 -0.044 0.000 2.036 1179 N HA 0.133 4.873 4.740 0.000 0.000 0.224 1179 N C -0.943 174.541 175.510 -0.043 0.000 1.381 1179 N CA -0.123 52.900 53.050 -0.046 0.000 0.746 1179 N CB 0.857 39.303 38.487 -0.068 0.000 1.213 1179 N HN 0.226 nan 8.380 nan 0.000 0.524 1180 R N 1.292 121.770 120.500 -0.038 0.000 2.536 1180 R HA 0.531 4.871 4.340 0.000 0.000 0.279 1180 R C 0.629 176.916 176.300 -0.021 0.000 1.001 1180 R CA 0.026 56.108 56.100 -0.030 0.000 1.027 1180 R CB 0.981 31.263 30.300 -0.030 0.000 1.096 1180 R HN 0.184 nan 8.270 nan 0.000 0.502 1181 E N -0.331 119.860 120.200 -0.017 0.000 3.837 1181 E HA 0.581 4.931 4.350 0.000 0.000 0.280 1181 E C -0.024 176.570 176.600 -0.010 0.000 1.282 1181 E CA 0.599 56.992 56.400 -0.012 0.000 1.431 1181 E CB 0.160 29.854 29.700 -0.010 0.000 1.509 1181 E HN 0.909 nan 8.360 nan 0.000 0.728 1192 Q N 0.185 119.982 119.800 -0.006 0.000 2.425 1192 Q HA 0.239 4.579 4.340 0.000 0.000 0.213 1192 Q C 1.081 177.076 176.000 -0.008 0.000 0.950 1192 Q CA 1.329 57.129 55.803 -0.006 0.000 0.979 1192 Q CB -0.733 28.001 28.738 -0.005 0.000 0.997 1192 Q HN 0.574 nan 8.270 nan 0.000 0.509 1193 K N -1.465 118.930 120.400 -0.008 0.000 2.612 1193 K HA 0.118 4.438 4.320 0.000 0.000 0.199 1193 K C -0.674 175.920 176.600 -0.009 0.000 1.520 1193 K CA 0.181 56.463 56.287 -0.009 0.000 1.039 1193 K CB 1.110 33.605 32.500 -0.009 0.000 1.286 1193 K HN 0.574 nan 8.250 nan 0.000 0.622 1194 Q N 0.745 120.540 119.800 -0.008 0.000 2.309 1194 Q HA 0.426 4.766 4.340 0.000 0.000 0.273 1194 Q C -1.580 174.415 176.000 -0.008 0.000 1.040 1194 Q CA -0.721 55.078 55.803 -0.007 0.000 0.834 1194 Q CB 2.936 31.670 28.738 -0.006 0.000 1.345 1194 Q HN -0.026 nan 8.270 nan 0.000 0.414 1195 E N 1.699 121.895 120.200 -0.007 0.000 3.939 1195 E HA -0.030 4.320 4.350 0.000 0.000 0.383 1195 E C -0.732 175.865 176.600 -0.007 0.000 1.054 1195 E CA -0.011 56.385 56.400 -0.008 0.000 0.820 1195 E CB 0.913 30.607 29.700 -0.009 0.000 1.254 1195 E HN 0.679 nan 8.360 nan 0.000 0.517 1196 Q N 1.738 121.536 119.800 -0.003 0.000 2.436 1196 Q HA -0.005 4.335 4.340 0.000 0.000 0.209 1196 Q C 1.764 177.765 176.000 0.002 0.000 0.965 1196 Q CA 0.711 56.515 55.803 0.002 0.000 0.910 1196 Q CB -0.019 28.717 28.738 -0.003 0.000 0.980 1196 Q HN 0.543 nan 8.270 nan 0.000 0.491 1197 L N -0.293 120.926 121.223 -0.006 0.000 2.450 1197 L HA -0.179 4.161 4.340 0.000 0.000 0.225 1197 L C 1.749 178.609 176.870 -0.015 0.000 1.145 1197 L CA 0.908 55.743 54.840 -0.008 0.000 0.801 1197 L CB -0.656 41.397 42.059 -0.011 0.000 0.924 1197 L HN 0.297 nan 8.230 nan 0.000 0.447 1198 L N -1.352 119.857 121.223 -0.022 0.000 2.541 1198 L HA 0.062 4.402 4.340 0.000 0.000 0.187 1198 L C 1.566 178.405 176.870 -0.051 0.000 1.098 1198 L CA 0.097 54.904 54.840 -0.055 0.000 0.846 1198 L CB -0.214 41.801 42.059 -0.073 0.000 1.151 1198 L HN 0.100 nan 8.230 nan 0.000 0.492 1199 L N 1.004 122.225 121.223 -0.004 0.000 2.821 1199 L HA -0.059 4.281 4.340 0.000 0.000 0.254 1199 L C 1.676 178.698 176.870 0.253 0.000 1.151 1199 L CA 1.278 56.182 54.840 0.106 0.000 0.937 1199 L CB -0.837 41.284 42.059 0.103 0.000 1.141 1199 L HN 0.281 nan 8.230 nan 0.000 0.425 1200 K N -1.672 118.832 120.400 0.173 0.000 2.711 1200 K HA 0.016 4.336 4.320 0.000 0.000 0.197 1200 K C 1.901 178.584 176.600 0.137 0.000 1.535 1200 K CA -0.081 56.299 56.287 0.154 0.000 1.170 1200 K CB 0.309 32.831 32.500 0.036 0.000 1.596 1200 K HN -0.115 nan 8.250 nan 0.000 0.584 1201 K N 1.205 121.634 120.400 0.047 0.000 2.007 1201 K HA 0.106 4.426 4.320 0.000 0.000 0.206 1201 K C 2.000 178.576 176.600 -0.040 0.000 1.047 1201 K CA 1.530 57.818 56.287 0.002 0.000 0.937 1201 K CB -0.095 32.386 32.500 -0.031 0.000 0.718 1201 K HN 0.089 nan 8.250 nan 0.000 0.438 1202 M N -0.243 119.252 119.600 -0.175 0.000 2.106 1202 M HA -0.227 4.253 4.480 0.000 0.000 0.259 1202 M C 1.878 178.042 176.300 -0.227 0.000 1.068 1202 M CA 1.766 56.814 55.300 -0.419 0.000 1.100 1202 M CB -0.600 31.354 32.600 -1.077 0.000 1.351 1202 M HN 0.180 nan 8.290 nan 0.000 0.404 1203 Y N -0.274 120.012 120.300 -0.024 0.000 2.114 1203 Y HA -0.226 4.324 4.550 0.000 0.000 0.284 1203 Y C 2.346 178.276 175.900 0.049 0.000 1.143 1203 Y CA 1.073 59.234 58.100 0.101 0.000 1.135 1203 Y CB -0.723 37.753 38.460 0.027 0.000 0.980 1203 Y HN 0.127 nan 8.280 nan 0.000 0.499 1204 L N -0.221 121.100 121.223 0.162 0.000 2.263 1204 L HA -0.270 4.070 4.340 0.000 0.000 0.216 1204 L C 1.881 178.801 176.870 0.083 0.000 1.111 1204 L CA 1.729 56.624 54.840 0.093 0.000 0.773 1204 L CB -0.553 41.543 42.059 0.060 0.000 0.906 1204 L HN 0.397 nan 8.230 nan 0.000 0.439 1205 M N -1.047 118.598 119.600 0.076 0.000 2.081 1205 M HA -0.174 4.306 4.480 0.000 0.000 0.261 1205 M C 2.360 178.728 176.300 0.112 0.000 1.075 1205 M CA 1.383 56.727 55.300 0.073 0.000 1.133 1205 M CB -0.989 31.637 32.600 0.043 0.000 1.330 1205 M HN 0.197 nan 8.290 nan 0.000 0.414 1206 L N 0.112 121.426 121.223 0.152 0.000 1.997 1206 L HA -0.304 4.036 4.340 0.000 0.000 0.216 1206 L C 2.186 179.182 176.870 0.210 0.000 1.074 1206 L CA 2.033 56.981 54.840 0.181 0.000 0.763 1206 L CB -0.868 41.311 42.059 0.200 0.000 0.890 1206 L HN 0.350 nan 8.230 nan 0.000 0.434 1207 D N -0.052 120.477 120.400 0.216 0.000 2.106 1207 D HA -0.225 4.415 4.640 0.000 0.000 0.191 1207 D C 1.801 178.210 176.300 0.180 0.000 0.997 1207 D CA 2.013 56.159 54.000 0.244 0.000 0.834 1207 D CB -0.063 40.823 40.800 0.143 0.000 0.956 1207 D HN 0.315 nan 8.370 nan 0.000 0.448 1208 N N -0.979 117.798 118.700 0.128 0.000 2.084 1208 N HA -0.133 4.607 4.740 0.000 0.000 0.190 1208 N C 1.641 177.212 175.510 0.101 0.000 1.030 1208 N CA 0.750 53.859 53.050 0.098 0.000 0.849 1208 N CB 0.100 38.631 38.487 0.074 0.000 1.012 1208 N HN 0.059 nan 8.380 nan 0.000 0.423 1209 K N 1.403 121.866 120.400 0.105 0.000 2.097 1209 K HA -0.078 4.242 4.320 0.000 0.000 0.206 1209 K C 1.954 178.619 176.600 0.108 0.000 1.049 1209 K CA 1.018 57.364 56.287 0.099 0.000 0.933 1209 K CB -0.336 32.220 32.500 0.094 0.000 0.717 1209 K HN 0.288 nan 8.250 nan 0.000 0.442 1210 R N 1.072 121.651 120.500 0.132 0.000 2.070 1210 R HA -0.055 4.285 4.340 0.000 0.000 0.233 1210 R C 2.397 178.766 176.300 0.115 0.000 1.137 1210 R CA 1.365 57.541 56.100 0.128 0.000 0.945 1210 R CB -0.237 30.161 30.300 0.164 0.000 0.845 1210 R HN 0.188 nan 8.270 nan 0.000 0.430 1211 K N 0.597 121.070 120.400 0.122 0.000 2.089 1211 K HA -0.256 4.064 4.320 0.000 0.000 0.210 1211 K C 2.073 178.739 176.600 0.110 0.000 1.048 1211 K CA 1.759 58.108 56.287 0.102 0.000 0.926 1211 K CB -0.119 32.432 32.500 0.085 0.000 0.714 1211 K HN 0.245 nan 8.250 nan 0.000 0.448 1212 E N 0.450 120.717 120.200 0.112 0.000 2.012 1212 E HA -0.192 4.158 4.350 0.000 0.000 0.197 1212 E C 1.958 178.637 176.600 0.133 0.000 1.007 1212 E CA 1.595 58.074 56.400 0.131 0.000 0.816 1212 E CB 0.057 29.820 29.700 0.104 0.000 0.762 1212 E HN 0.020 nan 8.360 nan 0.000 0.451 1213 V N 0.443 120.418 119.914 0.102 0.000 2.250 1213 V HA -0.321 3.799 4.120 0.000 0.000 0.250 1213 V C 2.418 178.564 176.094 0.087 0.000 1.060 1213 V CA 1.830 64.180 62.300 0.083 0.000 1.030 1213 V CB -0.624 31.244 31.823 0.074 0.000 0.643 1213 V HN 0.234 nan 8.190 nan 0.000 0.445 1214 V N -0.276 119.698 119.914 0.100 0.000 2.282 1214 V HA -0.381 3.739 4.120 0.000 0.000 0.249 1214 V C 2.326 178.501 176.094 0.135 0.000 1.057 1214 V CA 2.645 65.005 62.300 0.100 0.000 1.032 1214 V CB -1.037 30.842 31.823 0.093 0.000 0.645 1214 V HN 0.731 nan 8.190 nan 0.000 0.447 1215 H N 0.560 119.651 119.070 0.034 0.000 2.265 1215 H HA -0.219 4.337 4.556 0.000 0.000 0.295 1215 H C 2.522 177.864 175.328 0.023 0.000 1.084 1215 H CA 2.197 58.262 56.048 0.028 0.000 1.261 1215 H CB 0.096 29.875 29.762 0.027 0.000 1.360 1215 H HN 0.379 nan 8.280 nan 0.000 0.487 1216 K N 0.267 120.629 120.400 -0.064 0.000 2.044 1216 K HA -0.161 4.159 4.320 0.000 0.000 0.210 1216 K C 2.366 178.924 176.600 -0.070 0.000 1.049 1216 K CA 1.705 57.909 56.287 -0.138 0.000 0.927 1216 K CB -0.128 32.337 32.500 -0.058 0.000 0.713 1216 K HN 0.388 nan 8.250 nan 0.000 0.443 1217 I N 1.028 121.593 120.570 -0.009 0.000 2.264 1217 I HA -0.298 3.872 4.170 0.000 0.000 0.248 1217 I C 2.273 178.389 176.117 -0.002 0.000 1.111 1217 I CA 1.246 62.548 61.300 0.003 0.000 1.382 1217 I CB -0.303 37.714 38.000 0.028 0.000 1.060 1217 I HN 0.158 nan 8.210 nan 0.000 0.418 1218 I N 0.332 120.909 120.570 0.012 0.000 2.162 1218 I HA -0.263 3.907 4.170 0.000 0.000 0.238 1218 I C 2.646 178.755 176.117 -0.013 0.000 1.076 1218 I CA 1.274 62.587 61.300 0.021 0.000 1.353 1218 I CB -0.500 37.542 38.000 0.071 0.000 1.063 1218 I HN 0.238 nan 8.210 nan 0.000 0.408 1219 E N 1.542 121.707 120.200 -0.059 0.000 2.086 1219 E HA -0.321 4.029 4.350 0.000 0.000 0.205 1219 E C 2.351 178.910 176.600 -0.069 0.000 1.027 1219 E CA 1.987 58.329 56.400 -0.096 0.000 0.830 1219 E CB -0.231 29.328 29.700 -0.234 0.000 0.751 1219 E HN 0.439 nan 8.360 nan 0.000 0.456 1220 L N 0.580 121.762 121.223 -0.069 0.000 1.990 1220 L HA -0.260 4.080 4.340 0.000 0.000 0.213 1220 L C 2.578 179.423 176.870 -0.041 0.000 1.072 1220 L CA 1.484 56.293 54.840 -0.051 0.000 0.755 1220 L CB -0.321 41.714 42.059 -0.040 0.000 0.889 1220 L HN 0.323 nan 8.230 nan 0.000 0.432 1221 L N -0.171 121.033 121.223 -0.031 0.000 1.971 1221 L HA -0.315 4.025 4.340 0.000 0.000 0.215 1221 L C 2.526 179.377 176.870 -0.031 0.000 1.072 1221 L CA 1.841 56.664 54.840 -0.028 0.000 0.758 1221 L CB -1.123 40.927 42.059 -0.015 0.000 0.889 1221 L HN 0.473 nan 8.230 nan 0.000 0.433 1222 N N -0.039 118.646 118.700 -0.025 0.000 2.027 1222 N HA -0.215 4.525 4.740 0.000 0.000 0.200 1222 N C 1.785 177.272 175.510 -0.038 0.000 1.042 1222 N CA 1.791 54.826 53.050 -0.025 0.000 0.871 1222 N CB -0.811 37.666 38.487 -0.017 0.000 1.063 1222 N HN 0.124 nan 8.380 nan 0.000 0.438 1223 V N 1.688 121.576 119.914 -0.044 0.000 2.217 1223 V HA -0.306 3.814 4.120 0.000 0.000 0.248 1223 V C 2.415 178.471 176.094 -0.064 0.000 1.050 1223 V CA 2.428 64.696 62.300 -0.053 0.000 1.007 1223 V CB -1.289 30.502 31.823 -0.054 0.000 0.639 1223 V HN 0.404 nan 8.190 nan 0.000 0.452 1224 T N -0.451 114.065 114.554 -0.063 0.000 2.602 1224 T HA -0.403 3.947 4.350 0.000 0.000 0.264 1224 T C 1.813 176.461 174.700 -0.086 0.000 1.085 1224 T CA 2.452 64.508 62.100 -0.074 0.000 1.164 1224 T CB -0.509 68.323 68.868 -0.059 0.000 0.860 1224 T HN 0.721 nan 8.240 nan 0.000 0.442 1225 E N 0.739 120.897 120.200 -0.070 0.000 2.049 1225 E HA -0.185 4.165 4.350 0.000 0.000 0.198 1225 E C 2.341 178.892 176.600 -0.081 0.000 1.007 1225 E CA 1.528 57.885 56.400 -0.072 0.000 0.809 1225 E CB -0.354 29.315 29.700 -0.050 0.000 0.749 1225 E HN 0.566 nan 8.360 nan 0.000 0.450 1226 L N 0.780 121.961 121.223 -0.071 0.000 2.013 1226 L HA -0.201 4.139 4.340 0.000 0.000 0.212 1226 L C 2.782 179.592 176.870 -0.100 0.000 1.073 1226 L CA 2.512 57.308 54.840 -0.073 0.000 0.753 1226 L CB -0.775 41.247 42.059 -0.061 0.000 0.890 1226 L HN 0.349 nan 8.230 nan 0.000 0.432 1227 T N -2.201 112.283 114.554 -0.116 0.000 2.867 1227 T HA -0.274 4.076 4.350 0.000 0.000 0.268 1227 T C 1.857 176.442 174.700 -0.193 0.000 1.057 1227 T CA 1.572 63.577 62.100 -0.158 0.000 1.136 1227 T CB -0.317 68.455 68.868 -0.161 0.000 0.874 1227 T HN 0.641 nan 8.240 nan 0.000 0.466 1228 Q N 0.369 120.063 119.800 -0.175 0.000 2.167 1228 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 1228 Q C 2.056 177.947 176.000 -0.182 0.000 0.970 1228 Q CA 1.789 57.465 55.803 -0.212 0.000 0.855 1228 Q CB -0.229 28.398 28.738 -0.185 0.000 0.911 1228 Q HN 0.616 nan 8.270 nan 0.000 0.438 1229 N N 0.269 118.890 118.700 -0.131 0.000 2.084 1229 N HA -0.139 4.601 4.740 0.000 0.000 0.190 1229 N C 1.525 176.977 175.510 -0.096 0.000 1.030 1229 N CA 1.558 54.551 53.050 -0.095 0.000 0.849 1229 N CB -0.360 38.083 38.487 -0.072 0.000 1.012 1229 N HN 0.381 nan 8.380 nan 0.000 0.423 1230 A N 0.857 123.604 122.820 -0.122 0.000 1.851 1230 A HA -0.125 4.195 4.320 0.000 0.000 0.216 1230 A C 2.129 179.634 177.584 -0.132 0.000 1.195 1230 A CA 1.365 53.326 52.037 -0.127 0.000 0.622 1230 A CB -1.131 17.766 19.000 -0.171 0.000 0.831 1230 A HN 0.289 nan 8.150 nan 0.000 0.444 1231 L N 0.080 121.179 121.223 -0.206 0.000 1.997 1231 L HA -0.206 4.134 4.340 0.000 0.000 0.216 1231 L C 2.208 179.059 176.870 -0.032 0.000 1.074 1231 L CA 2.260 56.991 54.840 -0.181 0.000 0.763 1231 L CB -0.491 41.366 42.059 -0.337 0.000 0.890 1231 L HN 0.481 nan 8.230 nan 0.000 0.434 1232 I N -0.668 119.859 120.570 -0.072 0.000 2.480 1232 I HA -0.146 4.024 4.170 0.000 0.000 0.251 1232 I C 1.597 177.753 176.117 0.065 0.000 1.124 1232 I CA 0.749 62.080 61.300 0.051 0.000 1.444 1232 I CB -0.417 37.587 38.000 0.006 0.000 1.098 1232 I HN 0.364 nan 8.210 nan 0.000 0.428 1233 N N 0.420 119.130 118.700 0.016 0.000 2.373 1233 N HA -0.024 4.716 4.740 0.000 0.000 0.181 1233 N C 0.583 176.112 175.510 0.032 0.000 1.082 1233 N CA 0.792 53.855 53.050 0.022 0.000 0.885 1233 N CB 0.349 38.835 38.487 -0.002 0.000 0.977 1233 N HN 0.371 nan 8.380 nan 0.000 0.462 1234 D N 0.194 120.614 120.400 0.033 0.000 3.061 1234 D HA 0.059 4.699 4.640 0.000 0.000 0.243 1234 D C 1.601 177.961 176.300 0.101 0.000 1.572 1234 D CA 0.094 54.121 54.000 0.045 0.000 1.269 1234 D CB -0.200 40.605 40.800 0.008 0.000 1.023 1234 D HN -0.214 nan 8.370 nan 0.000 0.280 1235 E N 1.181 121.450 120.200 0.114 0.000 2.095 1235 E HA -0.213 4.137 4.350 0.000 0.000 0.212 1235 E C 2.149 178.914 176.600 0.275 0.000 1.044 1235 E CA 0.747 57.283 56.400 0.225 0.000 0.857 1235 E CB -0.681 29.193 29.700 0.291 0.000 0.764 1235 E HN 0.215 nan 8.360 nan 0.000 0.462 1236 L N 0.803 122.182 121.223 0.260 0.000 2.017 1236 L HA -0.170 4.170 4.340 0.000 0.000 0.208 1236 L C 2.419 179.445 176.870 0.261 0.000 1.073 1236 L CA 1.386 56.386 54.840 0.266 0.000 0.745 1236 L CB -0.303 41.913 42.059 0.263 0.000 0.894 1236 L HN 0.038 nan 8.230 nan 0.000 0.432 1237 V N -0.040 119.984 119.914 0.183 0.000 2.343 1237 V HA -0.271 3.849 4.120 0.000 0.000 0.247 1237 V C 2.375 178.548 176.094 0.132 0.000 1.051 1237 V CA 1.820 64.203 62.300 0.138 0.000 1.036 1237 V CB -0.651 31.223 31.823 0.084 0.000 0.654 1237 V HN 0.468 nan 8.190 nan 0.000 0.451 1238 E N -0.818 119.466 120.200 0.139 0.000 2.023 1238 E HA -0.297 4.053 4.350 0.000 0.000 0.196 1238 E C 1.944 178.613 176.600 0.115 0.000 1.003 1238 E CA 1.832 58.297 56.400 0.107 0.000 0.809 1238 E CB -0.336 29.436 29.700 0.119 0.000 0.755 1238 E HN 0.731 nan 8.360 nan 0.000 0.449 1239 W N 2.435 123.760 121.300 0.041 0.000 2.305 1239 W HA -0.258 4.402 4.660 0.000 0.000 0.308 1239 W C 1.897 178.417 176.519 0.002 0.000 1.226 1239 W CA 1.654 59.012 57.345 0.022 0.000 1.253 1239 W CB 0.107 29.584 29.460 0.028 0.000 1.146 1239 W HN -0.123 nan 8.180 nan 0.000 0.507 1240 K N 0.136 120.671 120.400 0.226 0.000 2.057 1240 K HA -0.203 4.117 4.320 0.000 0.000 0.207 1240 K C 1.954 178.430 176.600 -0.208 0.000 1.049 1240 K CA 1.785 58.078 56.287 0.009 0.000 0.931 1240 K CB -0.756 31.860 32.500 0.194 0.000 0.714 1240 K HN 0.134 nan 8.250 nan 0.000 0.440 1241 R N 1.617 122.047 120.500 -0.116 0.000 2.073 1241 R HA -0.047 4.293 4.340 0.000 0.000 0.234 1241 R C 2.292 178.479 176.300 -0.188 0.000 1.134 1241 R CA 1.423 57.452 56.100 -0.119 0.000 0.952 1241 R CB -0.164 30.099 30.300 -0.062 0.000 0.850 1241 R HN 0.131 nan 8.270 nan 0.000 0.433 1242 R N -0.196 120.154 120.500 -0.251 0.000 2.080 1242 R HA -0.181 4.159 4.340 0.000 0.000 0.236 1242 R C 2.360 178.433 176.300 -0.379 0.000 1.137 1242 R CA 1.819 57.750 56.100 -0.280 0.000 0.943 1242 R CB -0.543 29.578 30.300 -0.298 0.000 0.846 1242 R HN 0.405 nan 8.270 nan 0.000 0.431 1243 Q N 0.927 120.339 119.800 -0.646 0.000 2.217 1243 Q HA -0.293 4.047 4.340 0.000 0.000 0.209 1243 Q C 2.021 177.832 176.000 -0.316 0.000 0.988 1243 Q CA 1.747 57.175 55.803 -0.624 0.000 0.878 1243 Q CB 0.047 28.201 28.738 -0.974 0.000 0.909 1243 Q HN 0.482 nan 8.270 nan 0.000 0.424 1244 Q N -0.504 119.149 119.800 -0.244 0.000 1.990 1244 Q HA -0.151 4.189 4.340 0.000 0.000 0.200 1244 Q C 2.336 178.287 176.000 -0.081 0.000 0.980 1244 Q CA 1.917 57.645 55.803 -0.125 0.000 0.832 1244 Q CB -0.062 28.620 28.738 -0.094 0.000 0.897 1244 Q HN 0.523 nan 8.270 nan 0.000 0.427 1245 S N 0.516 116.168 115.700 -0.079 0.000 2.359 1245 S HA -0.189 4.281 4.470 0.000 0.000 0.224 1245 S C 2.161 176.695 174.600 -0.109 0.000 1.035 1245 S CA 1.156 59.352 58.200 -0.006 0.000 1.018 1245 S CB -0.560 62.660 63.200 0.032 0.000 0.876 1245 S HN 0.411 nan 8.310 nan 0.000 0.448 1246 A N 0.813 123.518 122.820 -0.191 0.000 1.917 1246 A HA -0.133 4.187 4.320 0.000 0.000 0.219 1246 A C 2.511 180.029 177.584 -0.110 0.000 1.182 1246 A CA 1.745 53.652 52.037 -0.217 0.000 0.633 1246 A CB -1.619 17.248 19.000 -0.223 0.000 0.819 1246 A HN 0.734 nan 8.150 nan 0.000 0.448 1247 C N -1.542 117.726 119.300 -0.053 0.000 2.448 1247 C HA 0.064 4.524 4.460 0.000 0.000 0.280 1247 C C 2.152 177.261 174.990 0.198 0.000 1.398 1247 C CA 0.779 59.827 59.018 0.051 0.000 1.774 1247 C CB -1.221 26.541 27.740 0.038 0.000 1.888 1247 C HN 0.595 nan 8.230 nan 0.000 0.519 1248 I N 0.299 120.957 120.570 0.147 0.000 3.793 1248 I HA 0.222 4.392 4.170 0.000 0.000 0.315 1248 I C 1.694 178.036 176.117 0.375 0.000 1.275 1248 I CA 1.179 62.635 61.300 0.260 0.000 1.214 1248 I CB -0.432 37.642 38.000 0.124 0.000 1.018 1248 I HN 0.393 nan 8.210 nan 0.000 0.439 1249 G N -0.691 108.199 108.800 0.150 0.000 2.175 1249 G HA2 -0.138 3.822 3.960 0.000 0.000 0.182 1249 G HA3 -0.138 3.822 3.960 0.000 0.000 0.182 1249 G C 0.793 175.338 174.900 -0.593 0.000 1.003 1249 G CA -0.233 44.896 45.100 0.048 0.000 0.666 1249 G HN 0.698 nan 8.290 nan 0.000 0.506 1250 G N 0.371 108.633 108.800 -0.896 0.000 2.588 1250 G HA2 0.627 4.587 3.960 0.000 0.000 0.278 1250 G HA3 0.627 4.587 3.960 0.000 0.000 0.278 1250 G C -1.382 172.919 174.900 -0.997 0.000 1.307 1250 G CA -0.326 43.658 45.100 -1.860 0.000 1.016 1250 G HN 0.272 nan 8.290 nan 0.000 0.503 1251 P HA 0.150 nan 4.420 nan 0.000 0.268 1251 P C -2.583 174.557 177.300 -0.266 0.000 1.208 1251 P CA -0.775 62.103 63.100 -0.369 0.000 0.777 1251 P CB -0.218 31.355 31.700 -0.211 0.000 0.875 1252 P HA 0.036 nan 4.420 nan 0.000 0.262 1252 P C 0.081 177.309 177.300 -0.120 0.000 1.182 1252 P CA 0.476 63.495 63.100 -0.135 0.000 0.761 1252 P CB -0.011 31.633 31.700 -0.094 0.000 0.795 1253 N N 2.417 121.043 118.700 -0.125 0.000 2.530 1253 N HA 0.323 5.063 4.740 0.000 0.000 0.273 1253 N C -0.487 175.014 175.510 -0.015 0.000 1.173 1253 N CA -0.273 52.698 53.050 -0.132 0.000 0.967 1253 N CB 0.396 38.738 38.487 -0.241 0.000 1.109 1253 N HN 0.367 nan 8.380 nan 0.000 0.453 1254 A N 2.314 125.156 122.820 0.037 0.000 2.511 1254 A HA 0.201 4.521 4.320 0.000 0.000 0.242 1254 A C 0.996 178.735 177.584 0.259 0.000 1.069 1254 A CA -0.422 51.691 52.037 0.127 0.000 0.763 1254 A CB -0.873 18.222 19.000 0.159 0.000 1.001 1254 A HN 0.932 nan 8.150 nan 0.000 0.498 1255 C N 1.364 120.745 119.300 0.135 0.000 2.713 1255 C HA 0.362 4.822 4.460 0.000 0.000 0.330 1255 C C 1.748 176.765 174.990 0.044 0.000 1.416 1255 C CA -0.433 58.650 59.018 0.108 0.000 2.351 1255 C CB -1.035 26.712 27.740 0.012 0.000 2.388 1255 C HN 0.787 nan 8.230 nan 0.000 0.729 1256 L N -0.056 121.101 121.223 -0.110 0.000 2.307 1256 L HA 0.035 4.375 4.340 0.000 0.000 0.211 1256 L C 2.204 178.922 176.870 -0.253 0.000 1.099 1256 L CA 1.035 55.684 54.840 -0.318 0.000 0.816 1256 L CB -0.872 40.935 42.059 -0.420 0.000 0.952 1256 L HN 0.668 nan 8.230 nan 0.000 0.455 1257 D N 0.433 120.723 120.400 -0.183 0.000 2.565 1257 D HA -0.364 4.276 4.640 0.000 0.000 0.189 1257 D C 2.022 178.170 176.300 -0.254 0.000 1.052 1257 D CA 1.883 55.776 54.000 -0.180 0.000 0.889 1257 D CB -0.192 40.527 40.800 -0.135 0.000 0.911 1257 D HN 0.413 nan 8.370 nan 0.000 0.464 1258 Q N -0.340 119.266 119.800 -0.323 0.000 2.046 1258 Q HA -0.114 4.226 4.340 0.000 0.000 0.200 1258 Q C 2.393 177.964 176.000 -0.715 0.000 0.975 1258 Q CA 0.862 56.309 55.803 -0.594 0.000 0.836 1258 Q CB -0.113 28.240 28.738 -0.641 0.000 0.896 1258 Q HN 0.345 nan 8.270 nan 0.000 0.428 1259 L N 0.353 121.356 121.223 -0.366 0.000 1.988 1259 L HA -0.210 4.130 4.340 0.000 0.000 0.207 1259 L C 2.767 179.655 176.870 0.030 0.000 1.071 1259 L CA 1.433 56.267 54.840 -0.011 0.000 0.744 1259 L CB -0.678 41.331 42.059 -0.084 0.000 0.893 1259 L HN 0.394 nan 8.230 nan 0.000 0.433 1260 Q N 0.163 119.875 119.800 -0.147 0.000 2.290 1260 Q HA -0.302 4.038 4.340 0.000 0.000 0.211 1260 Q C 1.767 177.757 176.000 -0.016 0.000 0.991 1260 Q CA 2.239 57.975 55.803 -0.111 0.000 0.893 1260 Q CB -0.097 28.543 28.738 -0.162 0.000 0.913 1260 Q HN 0.460 nan 8.270 nan 0.000 0.428 1261 N N -0.786 117.870 118.700 -0.073 0.000 2.251 1261 N HA -0.111 4.629 4.740 0.000 0.000 0.181 1261 N C 1.264 176.843 175.510 0.115 0.000 1.019 1261 N CA 1.063 54.087 53.050 -0.045 0.000 0.862 1261 N CB -0.177 38.202 38.487 -0.179 0.000 0.992 1261 N HN 0.213 nan 8.380 nan 0.000 0.429 1262 W N 0.404 121.743 121.300 0.066 0.000 2.355 1262 W HA -0.027 4.633 4.660 0.000 0.000 0.309 1262 W C 1.839 178.379 176.519 0.035 0.000 1.206 1262 W CA 0.475 57.843 57.345 0.039 0.000 1.284 1262 W CB -1.408 28.071 29.460 0.032 0.000 1.145 1262 W HN 0.064 nan 8.180 nan 0.000 0.502 1263 F N 0.668 120.731 119.950 0.188 0.000 2.010 1263 F HA -0.281 4.246 4.527 0.000 0.000 0.296 1263 F C 2.790 178.617 175.800 0.046 0.000 1.146 1263 F CA 2.554 60.595 58.000 0.069 0.000 1.181 1263 F CB -1.438 37.566 39.000 0.007 0.000 0.965 1263 F HN -0.254 nan 8.300 nan 0.000 0.480 1264 T N 0.225 114.929 114.554 0.250 0.000 2.751 1264 T HA -0.202 4.148 4.350 0.000 0.000 0.268 1264 T C 1.923 176.690 174.700 0.112 0.000 1.045 1264 T CA 1.505 63.689 62.100 0.140 0.000 1.142 1264 T CB -0.322 68.596 68.868 0.083 0.000 0.851 1264 T HN 0.001 nan 8.240 nan 0.000 0.474 1265 I N 0.450 121.089 120.570 0.116 0.000 2.235 1265 I HA 0.000 4.170 4.170 0.000 0.000 0.241 1265 I C 2.653 178.808 176.117 0.064 0.000 1.085 1265 I CA 0.849 62.202 61.300 0.089 0.000 1.378 1265 I CB -1.708 36.357 38.000 0.108 0.000 1.076 1265 I HN 0.187 nan 8.210 nan 0.000 0.415 1266 V N 1.763 121.702 119.914 0.042 0.000 2.332 1266 V HA -0.285 3.835 4.120 0.000 0.000 0.248 1266 V C 2.722 178.839 176.094 0.038 0.000 1.055 1266 V CA 2.236 64.535 62.300 -0.003 0.000 1.038 1266 V CB -0.711 31.060 31.823 -0.088 0.000 0.651 1266 V HN 0.383 nan 8.190 nan 0.000 0.450 1267 A N -0.071 122.793 122.820 0.073 0.000 1.892 1267 A HA -0.295 4.025 4.320 0.000 0.000 0.218 1267 A C 2.050 179.743 177.584 0.182 0.000 1.188 1267 A CA 2.260 54.402 52.037 0.174 0.000 0.631 1267 A CB -0.780 18.322 19.000 0.170 0.000 0.822 1267 A HN 0.756 nan 8.150 nan 0.000 0.447 1268 E N 0.005 120.272 120.200 0.111 0.000 2.077 1268 E HA -0.140 4.210 4.350 0.000 0.000 0.193 1268 E C 2.345 178.967 176.600 0.036 0.000 0.989 1268 E CA 1.343 57.784 56.400 0.069 0.000 0.800 1268 E CB -0.283 29.449 29.700 0.052 0.000 0.746 1268 E HN 0.620 nan 8.360 nan 0.000 0.452 1269 S N 1.398 117.119 115.700 0.035 0.000 2.359 1269 S HA -0.167 4.303 4.470 0.000 0.000 0.222 1269 S C 1.959 176.555 174.600 -0.006 0.000 1.038 1269 S CA 0.867 59.074 58.200 0.011 0.000 1.051 1269 S CB -0.262 62.943 63.200 0.007 0.000 0.944 1269 S HN 0.124 nan 8.310 nan 0.000 0.433 1270 L N 1.962 123.194 121.223 0.014 0.000 1.971 1270 L HA -0.140 4.200 4.340 0.000 0.000 0.215 1270 L C 2.704 179.498 176.870 -0.126 0.000 1.072 1270 L CA 1.782 56.612 54.840 -0.016 0.000 0.758 1270 L CB -1.729 40.404 42.059 0.124 0.000 0.889 1270 L HN 0.360 nan 8.230 nan 0.000 0.433 1271 Q N -0.613 119.090 119.800 -0.162 0.000 2.217 1271 Q HA -0.286 4.054 4.340 0.000 0.000 0.209 1271 Q C 2.123 178.033 176.000 -0.149 0.000 0.988 1271 Q CA 1.690 57.331 55.803 -0.271 0.000 0.878 1271 Q CB -0.219 28.410 28.738 -0.182 0.000 0.909 1271 Q HN 0.633 nan 8.270 nan 0.000 0.424 1272 Q N -0.170 119.582 119.800 -0.079 0.000 2.096 1272 Q HA -0.069 4.271 4.340 0.000 0.000 0.197 1272 Q C 2.136 178.109 176.000 -0.045 0.000 0.964 1272 Q CA 0.707 56.483 55.803 -0.046 0.000 0.838 1272 Q CB 0.324 29.050 28.738 -0.019 0.000 0.906 1272 Q HN 0.177 nan 8.270 nan 0.000 0.444 1273 V N 1.450 121.331 119.914 -0.055 0.000 2.380 1273 V HA -0.314 3.806 4.120 0.000 0.000 0.251 1273 V C 2.500 178.558 176.094 -0.060 0.000 1.063 1273 V CA 2.208 64.480 62.300 -0.048 0.000 1.055 1273 V CB -0.739 31.048 31.823 -0.059 0.000 0.657 1273 V HN 0.391 nan 8.190 nan 0.000 0.455 1274 R N -0.448 119.977 120.500 -0.124 0.000 2.080 1274 R HA -0.210 4.130 4.340 0.000 0.000 0.236 1274 R C 2.454 178.769 176.300 0.025 0.000 1.137 1274 R CA 1.797 57.816 56.100 -0.135 0.000 0.943 1274 R CB -0.269 29.888 30.300 -0.239 0.000 0.846 1274 R HN 0.461 nan 8.270 nan 0.000 0.431 1275 Q N 0.128 119.928 119.800 0.001 0.000 2.135 1275 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 1275 Q C 2.119 178.147 176.000 0.046 0.000 0.981 1275 Q CA 1.483 57.305 55.803 0.031 0.000 0.856 1275 Q CB -0.070 28.670 28.738 0.004 0.000 0.902 1275 Q HN 0.518 nan 8.270 nan 0.000 0.425 1276 Q N 0.147 119.967 119.800 0.033 0.000 2.050 1276 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 1276 Q C 2.372 178.415 176.000 0.071 0.000 0.980 1276 Q CA 0.844 56.671 55.803 0.040 0.000 0.840 1276 Q CB -0.383 28.371 28.738 0.028 0.000 0.898 1276 Q HN 0.400 nan 8.270 nan 0.000 0.424 1277 L N 0.762 122.050 121.223 0.108 0.000 2.079 1277 L HA -0.206 4.134 4.340 0.000 0.000 0.210 1277 L C 2.546 179.520 176.870 0.173 0.000 1.081 1277 L CA 1.315 56.266 54.840 0.185 0.000 0.752 1277 L CB -0.402 41.860 42.059 0.338 0.000 0.896 1277 L HN 0.236 nan 8.230 nan 0.000 0.433 1278 K N 0.131 120.635 120.400 0.172 0.000 2.002 1278 K HA -0.240 4.080 4.320 0.000 0.000 0.209 1278 K C 2.164 178.794 176.600 0.050 0.000 1.048 1278 K CA 1.396 57.743 56.287 0.101 0.000 0.930 1278 K CB -0.136 32.422 32.500 0.098 0.000 0.714 1278 K HN -0.041 nan 8.250 nan 0.000 0.438 1279 K N 1.614 122.043 120.400 0.048 0.000 2.113 1279 K HA -0.115 4.205 4.320 0.000 0.000 0.208 1279 K C 1.833 178.450 176.600 0.027 0.000 1.047 1279 K CA 1.243 57.548 56.287 0.029 0.000 0.928 1279 K CB -0.320 32.195 32.500 0.026 0.000 0.716 1279 K HN 0.093 nan 8.250 nan 0.000 0.446 1280 L N 0.288 121.534 121.223 0.038 0.000 2.141 1280 L HA -0.155 4.185 4.340 0.000 0.000 0.209 1280 L C 2.054 178.931 176.870 0.012 0.000 1.094 1280 L CA 1.415 56.274 54.840 0.033 0.000 0.763 1280 L CB -0.338 41.749 42.059 0.047 0.000 0.908 1280 L HN 0.352 nan 8.230 nan 0.000 0.437 1281 E N -0.562 119.639 120.200 0.003 0.000 2.158 1281 E HA -0.183 4.167 4.350 0.000 0.000 0.191 1281 E C 1.872 178.457 176.600 -0.026 0.000 0.982 1281 E CA 0.283 56.666 56.400 -0.028 0.000 0.823 1281 E CB 0.063 29.730 29.700 -0.054 0.000 0.766 1281 E HN 0.367 nan 8.360 nan 0.000 0.468 1282 E N 0.909 121.102 120.200 -0.011 0.000 2.268 1282 E HA -0.126 4.224 4.350 0.000 0.000 0.195 1282 E C 1.882 178.483 176.600 0.001 0.000 0.995 1282 E CA 0.523 56.918 56.400 -0.007 0.000 0.836 1282 E CB 0.175 29.875 29.700 -0.001 0.000 0.763 1282 E HN 0.290 nan 8.360 nan 0.000 0.491 1283 L N -0.010 121.217 121.223 0.007 0.000 2.375 1283 L HA -0.005 4.335 4.340 0.000 0.000 0.215 1283 L C 2.385 179.269 176.870 0.023 0.000 1.108 1283 L CA 0.467 55.320 54.840 0.022 0.000 0.830 1283 L CB -0.118 41.959 42.059 0.031 0.000 0.959 1283 L HN 0.115 nan 8.230 nan 0.000 0.457 1284 E N -0.002 120.190 120.200 -0.013 0.000 2.076 1284 E HA -0.181 4.169 4.350 0.000 0.000 0.190 1284 E C 1.998 178.567 176.600 -0.052 0.000 0.979 1284 E CA 0.627 56.992 56.400 -0.058 0.000 0.807 1284 E CB 0.237 29.886 29.700 -0.085 0.000 0.761 1284 E HN 0.502 nan 8.360 nan 0.000 0.454 1285 Q N 0.678 120.459 119.800 -0.032 0.000 2.002 1285 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 1285 Q C 2.192 178.198 176.000 0.009 0.000 0.988 1285 Q CA 1.706 57.495 55.803 -0.023 0.000 0.843 1285 Q CB -0.194 28.533 28.738 -0.019 0.000 0.908 1285 Q HN 0.132 nan 8.270 nan 0.000 0.420 1286 K N -0.829 119.589 120.400 0.030 0.000 2.173 1286 K HA -0.166 4.154 4.320 0.000 0.000 0.207 1286 K C 0.135 176.829 176.600 0.156 0.000 1.046 1286 K CA 1.045 57.371 56.287 0.065 0.000 0.929 1286 K CB -0.024 32.504 32.500 0.047 0.000 0.720 1286 K HN 0.145 nan 8.250 nan 0.000 0.453 1287 Y N -0.571 119.717 120.300 -0.020 0.000 2.409 1287 Y HA 0.165 4.715 4.550 0.000 0.000 0.321 1287 Y C -1.203 174.716 175.900 0.032 0.000 1.209 1287 Y CA -0.698 57.410 58.100 0.013 0.000 1.086 1287 Y CB 1.549 39.997 38.460 -0.019 0.000 1.320 1287 Y HN -0.175 nan 8.280 nan 0.000 0.440 1288 T N 4.685 118.749 114.554 -0.816 0.000 2.696 1288 T HA 0.777 5.127 4.350 0.000 0.000 0.291 1288 T C -1.903 172.403 174.700 -0.658 0.000 1.095 1288 T CA -0.451 61.227 62.100 -0.704 0.000 1.026 1288 T CB 2.216 70.852 68.868 -0.386 0.000 1.390 1288 T HN 0.703 nan 8.240 nan 0.000 0.513 1289 Y N -1.746 118.332 120.300 -0.371 0.000 2.810 1289 Y HA 0.662 5.212 4.550 0.000 0.000 0.355 1289 Y C -1.076 174.742 175.900 -0.138 0.000 1.211 1289 Y CA -1.466 56.501 58.100 -0.221 0.000 1.112 1289 Y CB 0.183 38.558 38.460 -0.140 0.000 1.383 1289 Y HN 0.496 nan 8.280 nan 0.000 0.458 1290 E N 2.205 122.466 120.200 0.101 0.000 2.480 1290 E HA 0.166 4.516 4.350 0.000 0.000 0.258 1290 E C -0.280 176.341 176.600 0.036 0.000 0.984 1290 E CA 1.316 57.651 56.400 -0.109 0.000 0.930 1290 E CB -0.211 29.376 29.700 -0.188 0.000 0.936 1290 E HN 0.693 nan 8.360 nan 0.000 0.466 1291 H N 1.503 120.604 119.070 0.052 0.000 2.941 1291 H HA -0.197 4.359 4.556 0.000 0.000 0.279 1291 H C -0.770 174.576 175.328 0.029 0.000 1.247 1291 H CA 0.951 57.041 56.048 0.070 0.000 1.129 1291 H CB -1.861 27.986 29.762 0.141 0.000 1.313 1291 H HN 0.585 nan 8.280 nan 0.000 0.384 1292 D N 2.214 122.448 120.400 -0.277 0.000 2.317 1292 D HA 0.131 4.771 4.640 0.000 0.000 0.252 1292 D C -0.659 175.507 176.300 -0.223 0.000 1.174 1292 D CA -1.742 51.835 54.000 -0.706 0.000 0.866 1292 D CB 1.317 41.324 40.800 -1.321 0.000 1.127 1292 D HN 0.075 nan 8.370 nan 0.000 0.467 1293 P HA -0.190 nan 4.420 nan 0.000 0.215 1293 P C 1.768 179.056 177.300 -0.021 0.000 1.153 1293 P CA 1.068 64.171 63.100 0.006 0.000 0.853 1293 P CB 0.256 31.995 31.700 0.066 0.000 0.788 1294 I N -0.147 120.392 120.570 -0.051 0.000 2.208 1294 I HA -0.220 3.950 4.170 0.000 0.000 0.245 1294 I C 2.300 178.382 176.117 -0.057 0.000 1.097 1294 I CA 1.969 63.246 61.300 -0.039 0.000 1.363 1294 I CB -1.305 36.665 38.000 -0.051 0.000 1.051 1294 I HN 0.035 nan 8.210 nan 0.000 0.413 1295 T N 0.465 114.952 114.554 -0.112 0.000 2.777 1295 T HA -0.136 4.214 4.350 0.000 0.000 0.266 1295 T C 1.930 176.598 174.700 -0.055 0.000 1.040 1295 T CA 1.054 63.093 62.100 -0.103 0.000 1.141 1295 T CB -0.129 68.645 68.868 -0.156 0.000 0.868 1295 T HN 0.303 nan 8.240 nan 0.000 0.444 1296 K N 1.080 121.458 120.400 -0.037 0.000 2.057 1296 K HA -0.014 4.306 4.320 0.000 0.000 0.207 1296 K C 2.130 178.738 176.600 0.014 0.000 1.049 1296 K CA 1.114 57.400 56.287 -0.002 0.000 0.931 1296 K CB -0.094 32.418 32.500 0.019 0.000 0.714 1296 K HN 0.311 nan 8.250 nan 0.000 0.440 1297 N N 0.790 119.503 118.700 0.022 0.000 2.395 1297 N HA -0.075 4.665 4.740 0.000 0.000 0.175 1297 N C 1.396 176.940 175.510 0.057 0.000 1.029 1297 N CA 0.283 53.359 53.050 0.043 0.000 0.897 1297 N CB 0.122 38.640 38.487 0.051 0.000 0.991 1297 N HN 0.156 nan 8.380 nan 0.000 0.441 1298 K N 1.250 121.674 120.400 0.041 0.000 2.091 1298 K HA -0.367 3.953 4.320 0.000 0.000 0.225 1298 K C 2.031 178.692 176.600 0.102 0.000 1.028 1298 K CA 2.356 58.672 56.287 0.049 0.000 0.965 1298 K CB -0.032 32.463 32.500 -0.008 0.000 0.786 1298 K HN 0.046 nan 8.250 nan 0.000 0.459 1299 Q N 0.004 119.849 119.800 0.075 0.000 1.969 1299 Q HA -0.070 4.270 4.340 0.000 0.000 0.198 1299 Q C 1.981 178.068 176.000 0.145 0.000 0.978 1299 Q CA 1.970 57.837 55.803 0.107 0.000 0.830 1299 Q CB -0.213 28.556 28.738 0.052 0.000 0.896 1299 Q HN 0.268 nan 8.270 nan 0.000 0.431 1300 V N 1.159 121.133 119.914 0.099 0.000 2.233 1300 V HA -0.368 3.752 4.120 0.000 0.000 0.252 1300 V C 2.398 178.556 176.094 0.108 0.000 1.063 1300 V CA 2.253 64.608 62.300 0.091 0.000 1.032 1300 V CB -0.943 30.919 31.823 0.066 0.000 0.645 1300 V HN 0.404 nan 8.190 nan 0.000 0.446 1301 L N -1.978 119.312 121.223 0.111 0.000 1.970 1301 L HA -0.241 4.099 4.340 0.000 0.000 0.212 1301 L C 2.368 179.312 176.870 0.124 0.000 1.071 1301 L CA 2.440 57.341 54.840 0.102 0.000 0.751 1301 L CB -0.733 41.386 42.059 0.101 0.000 0.889 1301 L HN 0.453 nan 8.230 nan 0.000 0.432 1302 W N 1.413 122.730 121.300 0.029 0.000 2.308 1302 W HA -0.259 4.401 4.660 0.000 0.000 0.301 1302 W C 2.367 178.931 176.519 0.074 0.000 1.220 1302 W CA 1.916 59.283 57.345 0.037 0.000 1.240 1302 W CB -0.124 29.343 29.460 0.012 0.000 1.142 1302 W HN 0.227 nan 8.180 nan 0.000 0.521 1303 D N -1.246 119.302 120.400 0.246 0.000 2.137 1303 D HA -0.097 4.543 4.640 0.000 0.000 0.202 1303 D C 2.203 178.573 176.300 0.118 0.000 0.970 1303 D CA 1.075 55.191 54.000 0.193 0.000 0.837 1303 D CB -0.385 40.524 40.800 0.180 0.000 0.981 1303 D HN 0.181 nan 8.370 nan 0.000 0.475 1304 R N 0.314 120.859 120.500 0.075 0.000 2.083 1304 R HA -0.107 4.233 4.340 0.000 0.000 0.237 1304 R C 2.292 178.593 176.300 0.002 0.000 1.137 1304 R CA 1.601 57.725 56.100 0.039 0.000 0.951 1304 R CB -0.381 29.936 30.300 0.027 0.000 0.851 1304 R HN 0.148 nan 8.270 nan 0.000 0.434 1305 T N 0.917 115.443 114.554 -0.045 0.000 2.595 1305 T HA -0.219 4.131 4.350 0.000 0.000 0.264 1305 T C 1.442 176.091 174.700 -0.086 0.000 1.058 1305 T CA 1.722 63.758 62.100 -0.106 0.000 1.166 1305 T CB -0.548 68.186 68.868 -0.224 0.000 0.863 1305 T HN 0.262 nan 8.240 nan 0.000 0.415 1306 F N 1.610 121.392 119.950 -0.280 0.000 2.154 1306 F HA -0.164 4.363 4.527 0.000 0.000 0.301 1306 F C 2.666 178.462 175.800 -0.007 0.000 1.087 1306 F CA 1.508 59.404 58.000 -0.172 0.000 1.274 1306 F CB -0.589 38.261 39.000 -0.250 0.000 1.009 1306 F HN 0.099 nan 8.300 nan 0.000 0.485 1307 S N 0.271 115.984 115.700 0.023 0.000 2.351 1307 S HA -0.189 4.281 4.470 0.000 0.000 0.220 1307 S C 1.978 176.485 174.600 -0.155 0.000 1.035 1307 S CA 1.657 59.831 58.200 -0.043 0.000 1.031 1307 S CB -0.600 62.631 63.200 0.052 0.000 0.928 1307 S HN 0.309 nan 8.310 nan 0.000 0.433 1308 L N 0.693 121.858 121.223 -0.096 0.000 1.970 1308 L HA -0.001 4.339 4.340 0.000 0.000 0.212 1308 L C 2.130 178.920 176.870 -0.133 0.000 1.071 1308 L CA 1.889 56.670 54.840 -0.097 0.000 0.751 1308 L CB -1.438 40.585 42.059 -0.060 0.000 0.889 1308 L HN 0.445 nan 8.230 nan 0.000 0.432 1309 F N 0.098 119.889 119.950 -0.265 0.000 2.154 1309 F HA -0.303 4.224 4.527 0.000 0.000 0.301 1309 F C 2.704 178.300 175.800 -0.340 0.000 1.087 1309 F CA 2.053 59.889 58.000 -0.272 0.000 1.274 1309 F CB -0.234 38.606 39.000 -0.268 0.000 1.009 1309 F HN 0.261 nan 8.300 nan 0.000 0.485 1310 Q N -0.167 119.304 119.800 -0.548 0.000 2.049 1310 Q HA -0.249 4.091 4.340 0.000 0.000 0.198 1310 Q C 2.428 178.209 176.000 -0.364 0.000 0.971 1310 Q CA 1.620 57.064 55.803 -0.598 0.000 0.833 1310 Q CB -0.382 27.865 28.738 -0.818 0.000 0.896 1310 Q HN 0.641 nan 8.270 nan 0.000 0.434 1311 Q N 0.082 119.720 119.800 -0.269 0.000 2.020 1311 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 1311 Q C 2.214 178.128 176.000 -0.143 0.000 0.982 1311 Q CA 1.520 57.231 55.803 -0.153 0.000 0.838 1311 Q CB -0.216 28.454 28.738 -0.113 0.000 0.899 1311 Q HN 0.418 nan 8.270 nan 0.000 0.423 1312 L N 1.099 122.200 121.223 -0.204 0.000 1.991 1312 L HA -0.239 4.101 4.340 0.000 0.000 0.221 1312 L C 2.275 179.109 176.870 -0.061 0.000 1.079 1312 L CA 1.997 56.733 54.840 -0.172 0.000 0.778 1312 L CB -0.709 41.192 42.059 -0.264 0.000 0.893 1312 L HN 0.465 nan 8.230 nan 0.000 0.437 1313 I N -1.379 119.007 120.570 -0.307 0.000 2.916 1313 I HA -0.256 3.914 4.170 0.000 0.000 0.267 1313 I C 1.982 178.034 176.117 -0.107 0.000 1.263 1313 I CA 0.860 62.010 61.300 -0.250 0.000 1.471 1313 I CB -0.056 37.620 38.000 -0.539 0.000 1.089 1313 I HN 0.536 nan 8.210 nan 0.000 0.468 1314 Q N -0.814 118.943 119.800 -0.072 0.000 2.339 1314 Q HA -0.016 4.324 4.340 0.000 0.000 0.205 1314 Q C 2.184 178.237 176.000 0.088 0.000 0.925 1314 Q CA 0.988 56.795 55.803 0.007 0.000 0.898 1314 Q CB 0.258 28.991 28.738 -0.009 0.000 1.013 1314 Q HN 0.374 nan 8.270 nan 0.000 0.504 1315 S N 1.141 116.905 115.700 0.106 0.000 2.428 1315 S HA -0.113 4.357 4.470 0.000 0.000 0.230 1315 S C 2.072 176.706 174.600 0.057 0.000 1.014 1315 S CA 1.222 59.517 58.200 0.159 0.000 0.957 1315 S CB -0.116 63.254 63.200 0.284 0.000 0.784 1315 S HN 0.481 nan 8.310 nan 0.000 0.499 1316 S N 0.836 116.543 115.700 0.011 0.000 2.481 1316 S HA 0.036 4.506 4.470 0.000 0.000 0.231 1316 S C 0.444 174.941 174.600 -0.173 0.000 0.996 1316 S CA 0.053 58.031 58.200 -0.371 0.000 0.942 1316 S CB -0.487 62.584 63.200 -0.215 0.000 0.768 1316 S HN 0.337 nan 8.310 nan 0.000 0.520 1317 F N 3.039 122.888 119.950 -0.169 0.000 2.464 1317 F HA 0.624 5.151 4.527 0.000 0.000 0.353 1317 F C -0.188 175.549 175.800 -0.104 0.000 1.191 1317 F CA -1.236 56.693 58.000 -0.119 0.000 1.147 1317 F CB 0.647 39.618 39.000 -0.048 0.000 1.294 1317 F HN 0.046 nan 8.300 nan 0.000 0.583 1318 V N 6.236 125.912 119.914 -0.397 0.000 3.074 1318 V HA 0.588 4.708 4.120 0.000 0.000 0.314 1318 V C -1.226 174.618 176.094 -0.417 0.000 1.117 1318 V CA -0.783 61.285 62.300 -0.388 0.000 1.014 1318 V CB 2.494 34.160 31.823 -0.262 0.000 1.057 1318 V HN 0.218 nan 8.190 nan 0.000 0.438 1319 V N 4.279 124.030 119.914 -0.272 0.000 2.372 1319 V HA 0.228 4.348 4.120 0.000 0.000 0.261 1319 V C 1.180 177.252 176.094 -0.037 0.000 1.055 1319 V CA 0.716 62.880 62.300 -0.227 0.000 0.930 1319 V CB 0.692 32.427 31.823 -0.146 0.000 1.031 1319 V HN 1.079 nan 8.190 nan 0.000 0.479 1320 E N 4.779 124.937 120.200 -0.070 0.000 2.112 1320 E HA -0.008 4.342 4.350 0.000 0.000 0.190 1320 E C 1.218 177.863 176.600 0.076 0.000 0.979 1320 E CA 0.402 56.825 56.400 0.040 0.000 0.814 1320 E CB 0.355 30.025 29.700 -0.050 0.000 0.762 1320 E HN 0.560 nan 8.360 nan 0.000 0.460 1321 R N 1.296 121.802 120.500 0.010 0.000 2.468 1321 R HA 0.107 4.447 4.340 0.000 0.000 0.302 1321 R C -0.707 175.606 176.300 0.022 0.000 1.041 1321 R CA -0.648 55.465 56.100 0.022 0.000 0.899 1321 R CB 0.931 31.237 30.300 0.011 0.000 1.167 1321 R HN 0.069 nan 8.270 nan 0.000 0.483 1322 Q N 2.681 122.505 119.800 0.039 0.000 2.624 1322 Q HA 0.055 4.395 4.340 0.000 0.000 0.256 1322 Q C -2.156 173.907 176.000 0.104 0.000 1.119 1322 Q CA -1.169 54.670 55.803 0.061 0.000 0.995 1322 Q CB 0.002 28.771 28.738 0.051 0.000 1.318 1322 Q HN 0.431 nan 8.270 nan 0.000 0.534 1323 P HA 0.043 nan 4.420 nan 0.000 0.267 1323 P C -0.716 176.690 177.300 0.178 0.000 1.209 1323 P CA 0.123 63.370 63.100 0.244 0.000 0.763 1323 P CB 0.467 32.311 31.700 0.241 0.000 0.816 1324 C N 5.240 124.673 119.300 0.221 0.000 2.985 1324 C HA 0.589 5.049 4.460 0.000 0.000 0.314 1324 C C -0.858 174.242 174.990 0.183 0.000 1.215 1324 C CA -0.738 58.368 59.018 0.148 0.000 1.414 1324 C CB 0.811 28.609 27.740 0.096 0.000 1.842 1324 C HN 0.471 nan 8.230 nan 0.000 0.477 1325 M N 5.755 125.442 119.600 0.144 0.000 2.113 1325 M HA 0.313 4.793 4.480 0.000 0.000 0.352 1325 M C -1.671 174.688 176.300 0.098 0.000 1.170 1325 M CA -1.430 53.967 55.300 0.161 0.000 1.053 1325 M CB 1.650 34.363 32.600 0.188 0.000 1.601 1325 M HN 0.456 nan 8.290 nan 0.000 0.459 1326 P HA -0.138 nan 4.420 nan 0.000 0.218 1326 P C 0.961 178.234 177.300 -0.044 0.000 1.146 1326 P CA 1.353 64.454 63.100 0.002 0.000 0.813 1326 P CB 0.099 31.793 31.700 -0.009 0.000 0.778 1327 T N -2.245 112.272 114.554 -0.062 0.000 2.951 1327 T HA -0.074 4.276 4.350 0.000 0.000 0.268 1327 T C 0.724 175.121 174.700 -0.504 0.000 1.073 1327 T CA 1.093 63.038 62.100 -0.258 0.000 1.134 1327 T CB -0.464 68.229 68.868 -0.291 0.000 0.884 1327 T HN 0.313 nan 8.240 nan 0.000 0.479 1328 H N 0.389 119.434 119.070 -0.041 0.000 2.551 1328 H HA 0.198 4.754 4.556 0.000 0.000 0.238 1328 H C -1.768 173.508 175.328 -0.086 0.000 1.345 1328 H CA -1.549 54.457 56.048 -0.069 0.000 1.105 1328 H CB 0.649 30.374 29.762 -0.061 0.000 1.805 1328 H HN 0.272 nan 8.280 nan 0.000 0.553 1329 P HA -0.195 nan 4.420 nan 0.000 0.222 1329 P C 1.494 178.737 177.300 -0.095 0.000 1.142 1329 P CA 0.990 64.063 63.100 -0.044 0.000 0.788 1329 P CB 0.603 32.270 31.700 -0.055 0.000 0.767 1330 Q N 0.166 119.881 119.800 -0.142 0.000 2.224 1330 Q HA -0.048 4.292 4.340 0.000 0.000 0.203 1330 Q C 0.768 176.452 176.000 -0.528 0.000 0.970 1330 Q CA 1.072 56.714 55.803 -0.269 0.000 0.865 1330 Q CB -0.042 28.544 28.738 -0.254 0.000 0.922 1330 Q HN 0.229 nan 8.270 nan 0.000 0.445 1331 R N 0.624 120.882 120.500 -0.404 0.000 2.335 1331 R HA 0.254 4.594 4.340 0.000 0.000 0.302 1331 R C -2.192 174.114 176.300 0.009 0.000 1.147 1331 R CA -1.633 54.186 56.100 -0.468 0.000 1.111 1331 R CB 0.799 30.981 30.300 -0.197 0.000 1.122 1331 R HN 0.115 nan 8.270 nan 0.000 0.557 1332 P HA -0.147 nan 4.420 nan 0.000 0.205 1332 P C 1.180 178.588 177.300 0.179 0.000 1.193 1332 P CA 0.954 64.158 63.100 0.173 0.000 0.929 1332 P CB 0.250 32.057 31.700 0.178 0.000 0.772 1333 L N -0.748 120.604 121.223 0.215 0.000 2.721 1333 L HA -0.023 4.317 4.340 0.000 0.000 0.241 1333 L C 0.515 177.417 176.870 0.053 0.000 1.168 1333 L CA 0.172 55.069 54.840 0.094 0.000 0.866 1333 L CB -0.768 41.308 42.059 0.029 0.000 0.996 1333 L HN -0.173 nan 8.230 nan 0.000 0.451 1334 V N 1.366 121.338 119.914 0.097 0.000 2.370 1334 V HA 0.304 4.424 4.120 0.000 0.000 0.279 1334 V C 0.115 176.151 176.094 -0.096 0.000 1.029 1334 V CA -0.356 61.956 62.300 0.019 0.000 0.870 1334 V CB 1.747 33.636 31.823 0.110 0.000 0.984 1334 V HN 0.076 nan 8.190 nan 0.000 0.451 1335 L N 5.039 126.132 121.223 -0.217 0.000 2.313 1335 L HA 0.582 4.922 4.340 0.000 0.000 0.283 1335 L C -0.007 176.673 176.870 -0.318 0.000 1.013 1335 L CA -0.543 54.094 54.840 -0.338 0.000 0.816 1335 L CB 1.796 43.483 42.059 -0.619 0.000 1.236 1335 L HN 0.565 nan 8.230 nan 0.000 0.419 1336 K N 1.957 122.211 120.400 -0.243 0.000 2.183 1336 K HA 0.276 4.596 4.320 0.000 0.000 0.274 1336 K C -0.086 176.407 176.600 -0.178 0.000 1.009 1336 K CA -0.428 55.741 56.287 -0.197 0.000 0.888 1336 K CB 1.554 33.961 32.500 -0.155 0.000 1.078 1336 K HN 0.493 nan 8.250 nan 0.000 0.459 1337 T N 2.391 116.841 114.554 -0.173 0.000 2.937 1337 T HA 0.121 4.471 4.350 0.000 0.000 0.316 1337 T C 1.131 175.813 174.700 -0.031 0.000 1.079 1337 T CA 1.922 63.954 62.100 -0.114 0.000 1.131 1337 T CB 0.050 68.901 68.868 -0.028 0.000 1.000 1337 T HN 0.895 nan 8.240 nan 0.000 0.549 1338 G N 2.416 111.219 108.800 0.006 0.000 2.220 1338 G HA2 -0.239 3.721 3.960 0.000 0.000 0.269 1338 G HA3 -0.239 3.721 3.960 0.000 0.000 0.269 1338 G C 0.213 175.143 174.900 0.048 0.000 0.977 1338 G CA 0.415 45.537 45.100 0.037 0.000 0.634 1338 G HN 0.904 nan 8.290 nan 0.000 0.539 1339 V N 1.293 121.234 119.914 0.044 0.000 2.612 1339 V HA 0.596 4.716 4.120 0.000 0.000 0.301 1339 V C 0.587 176.765 176.094 0.140 0.000 1.046 1339 V CA -0.212 62.135 62.300 0.078 0.000 0.946 1339 V CB 1.785 33.652 31.823 0.074 0.000 1.003 1339 V HN 0.673 nan 8.190 nan 0.000 0.459 1340 Q N 3.343 123.229 119.800 0.144 0.000 2.293 1340 Q HA 0.590 4.930 4.340 0.000 0.000 0.251 1340 Q C -1.043 175.101 176.000 0.241 0.000 0.930 1340 Q CA -0.277 55.629 55.803 0.172 0.000 0.893 1340 Q CB 1.322 30.113 28.738 0.089 0.000 1.215 1340 Q HN 0.708 nan 8.270 nan 0.000 0.425 1341 F N -0.949 118.998 119.950 -0.004 0.000 2.706 1341 F HA 0.850 5.377 4.527 0.000 0.000 0.328 1341 F C -1.062 174.741 175.800 0.005 0.000 1.123 1341 F CA -0.823 57.174 58.000 -0.005 0.000 0.978 1341 F CB 1.614 40.602 39.000 -0.020 0.000 1.404 1341 F HN 0.664 nan 8.300 nan 0.000 0.497 1342 T N 0.334 114.889 114.554 0.001 0.000 2.900 1342 T HA 0.787 5.137 4.350 0.000 0.000 0.303 1342 T C -1.920 172.821 174.700 0.069 0.000 1.142 1342 T CA -0.427 61.623 62.100 -0.083 0.000 1.007 1342 T CB 1.518 70.353 68.868 -0.055 0.000 1.156 1342 T HN 0.958 nan 8.240 nan 0.000 0.490 1343 V N 2.187 122.139 119.914 0.064 0.000 3.159 1343 V HA 0.775 4.896 4.120 0.000 0.000 0.308 1343 V C -0.834 175.300 176.094 0.066 0.000 1.190 1343 V CA -1.162 61.188 62.300 0.084 0.000 1.037 1343 V CB 2.323 34.214 31.823 0.113 0.000 1.060 1343 V HN 1.070 nan 8.190 nan 0.000 0.437 1344 K N 1.799 122.182 120.400 -0.028 0.000 2.565 1344 K HA 0.594 4.914 4.320 0.000 0.000 0.249 1344 K C -1.956 174.550 176.600 -0.156 0.000 0.958 1344 K CA -0.589 55.675 56.287 -0.038 0.000 0.806 1344 K CB 1.637 34.117 32.500 -0.034 0.000 1.194 1344 K HN 0.476 nan 8.250 nan 0.000 0.434 1345 L N 3.127 124.255 121.223 -0.158 0.000 2.387 1345 L HA 0.625 4.965 4.340 0.000 0.000 0.266 1345 L C -0.136 176.646 176.870 -0.148 0.000 1.059 1345 L CA -0.508 54.169 54.840 -0.271 0.000 0.801 1345 L CB 1.497 43.402 42.059 -0.256 0.000 1.223 1345 L HN 0.812 nan 8.230 nan 0.000 0.456 1346 R N 1.369 121.762 120.500 -0.178 0.000 2.579 1346 R HA 0.428 4.768 4.340 0.000 0.000 0.260 1346 R C -2.195 174.060 176.300 -0.076 0.000 1.103 1346 R CA -0.726 55.310 56.100 -0.107 0.000 0.942 1346 R CB 1.494 31.700 30.300 -0.157 0.000 1.251 1346 R HN 0.409 nan 8.270 nan 0.000 0.450 1347 L N 5.855 127.070 121.223 -0.014 0.000 2.262 1347 L HA 0.357 4.697 4.340 0.000 0.000 0.288 1347 L C 0.498 177.285 176.870 -0.138 0.000 1.035 1347 L CA -0.285 54.548 54.840 -0.012 0.000 0.820 1347 L CB 1.409 43.493 42.059 0.042 0.000 1.204 1347 L HN 0.827 nan 8.230 nan 0.000 0.424 1348 L N 4.192 125.245 121.223 -0.284 0.000 2.642 1348 L HA -0.122 4.218 4.340 0.000 0.000 0.236 1348 L C 1.427 178.198 176.870 -0.166 0.000 1.169 1348 L CA 0.215 54.834 54.840 -0.367 0.000 0.851 1348 L CB -0.468 41.100 42.059 -0.817 0.000 0.968 1348 L HN 0.580 nan 8.230 nan 0.000 0.453 1349 V N -0.523 119.348 119.914 -0.070 0.000 2.300 1349 V HA -0.109 4.011 4.120 0.000 0.000 0.233 1349 V C 0.850 176.957 176.094 0.021 0.000 1.052 1349 V CA 0.603 62.928 62.300 0.042 0.000 1.026 1349 V CB -0.296 31.553 31.823 0.043 0.000 0.661 1349 V HN 0.593 nan 8.190 nan 0.000 0.470 1350 K N 0.275 120.676 120.400 0.002 0.000 5.381 1350 K HA -0.137 4.183 4.320 0.000 0.000 0.853 1350 K C -1.613 174.997 176.600 0.017 0.000 1.661 1350 K CA 0.018 56.301 56.287 -0.007 0.000 1.556 1350 K CB -1.365 31.119 32.500 -0.027 0.000 2.466 1350 K HN 0.401 nan 8.250 nan 0.000 0.269 1351 L N 4.014 125.249 121.223 0.021 0.000 2.464 1351 L HA 0.266 4.606 4.340 0.000 0.000 0.266 1351 L C 1.318 178.199 176.870 0.019 0.000 0.965 1351 L CA -1.264 53.597 54.840 0.035 0.000 0.833 1351 L CB 1.665 43.767 42.059 0.072 0.000 1.296 1351 L HN 0.471 nan 8.230 nan 0.000 0.405 1352 Q N 1.840 121.649 119.800 0.016 0.000 2.173 1352 Q HA -0.216 4.124 4.340 0.000 0.000 0.208 1352 Q C 1.264 177.280 176.000 0.027 0.000 0.989 1352 Q CA 2.113 57.924 55.803 0.014 0.000 0.872 1352 Q CB -0.108 28.643 28.738 0.021 0.000 0.909 1352 Q HN 0.819 nan 8.270 nan 0.000 0.420 1353 E N -0.477 119.745 120.200 0.036 0.000 2.482 1353 E HA -0.088 4.262 4.350 0.000 0.000 0.200 1353 E C 0.624 177.254 176.600 0.050 0.000 1.147 1353 E CA 0.269 56.696 56.400 0.045 0.000 0.912 1353 E CB 0.030 29.757 29.700 0.046 0.000 0.938 1353 E HN 0.088 nan 8.360 nan 0.000 0.519 1354 L N 0.088 121.330 121.223 0.032 0.000 3.174 1354 L HA 0.204 4.544 4.340 0.000 0.000 0.283 1354 L C -0.003 176.855 176.870 -0.019 0.000 1.187 1354 L CA -0.142 54.709 54.840 0.019 0.000 1.018 1354 L CB 0.308 42.375 42.059 0.014 0.000 1.433 1354 L HN 0.119 nan 8.230 nan 0.000 0.593 1355 N N 0.672 119.351 118.700 -0.034 0.000 2.438 1355 N HA -0.037 4.703 4.740 0.000 0.000 0.267 1355 N C -0.070 175.432 175.510 -0.013 0.000 1.222 1355 N CA 0.525 53.481 53.050 -0.156 0.000 0.930 1355 N CB 0.091 38.501 38.487 -0.128 0.000 1.083 1355 N HN 0.204 nan 8.380 nan 0.000 0.476 1356 Y N 0.351 120.651 120.300 0.001 0.000 4.841 1356 Y HA -0.276 4.274 4.550 0.000 0.000 0.242 1356 Y C 0.758 176.661 175.900 0.005 0.000 1.002 1356 Y CA 0.230 58.330 58.100 -0.000 0.000 2.011 1356 Y CB -1.736 36.723 38.460 -0.002 0.000 1.554 1356 Y HN 0.603 nan 8.280 nan 0.000 0.618 1357 N N 0.628 119.388 118.700 0.101 0.000 2.214 1357 N HA 0.297 5.037 4.740 0.000 0.000 0.214 1357 N C -0.356 175.178 175.510 0.040 0.000 1.132 1357 N CA 0.296 53.391 53.050 0.074 0.000 0.856 1357 N CB 0.696 39.222 38.487 0.064 0.000 1.020 1357 N HN 0.326 nan 8.380 nan 0.000 0.509 1358 L N 1.133 122.371 121.223 0.024 0.000 2.401 1358 L HA 0.339 4.679 4.340 0.000 0.000 0.263 1358 L C -0.003 176.881 176.870 0.024 0.000 1.004 1358 L CA -0.486 54.351 54.840 -0.004 0.000 0.881 1358 L CB 1.882 43.910 42.059 -0.052 0.000 1.219 1358 L HN -0.239 nan 8.230 nan 0.000 0.441 1359 K N 2.651 123.077 120.400 0.044 0.000 2.276 1359 K HA 0.506 4.826 4.320 0.000 0.000 0.285 1359 K C -0.822 175.848 176.600 0.116 0.000 1.062 1359 K CA -0.429 55.907 56.287 0.081 0.000 0.918 1359 K CB 1.186 33.735 32.500 0.082 0.000 1.055 1359 K HN 0.276 nan 8.250 nan 0.000 0.477 1360 V N 5.558 125.592 119.914 0.201 0.000 2.472 1360 V HA 0.311 4.431 4.120 0.000 0.000 0.290 1360 V C -0.454 175.924 176.094 0.474 0.000 1.037 1360 V CA -0.695 61.822 62.300 0.361 0.000 0.908 1360 V CB 1.417 33.569 31.823 0.549 0.000 0.985 1360 V HN 0.787 nan 8.190 nan 0.000 0.454 1361 K N 3.496 124.125 120.400 0.381 0.000 2.316 1361 K HA 0.824 5.144 4.320 0.000 0.000 0.251 1361 K C -1.469 175.205 176.600 0.124 0.000 0.934 1361 K CA -0.846 55.611 56.287 0.283 0.000 0.802 1361 K CB 2.245 34.849 32.500 0.173 0.000 1.171 1361 K HN 0.278 nan 8.250 nan 0.000 0.426 1362 V N 3.425 123.314 119.914 -0.042 0.000 2.439 1362 V HA 0.343 4.463 4.120 0.000 0.000 0.282 1362 V C -0.685 175.243 176.094 -0.276 0.000 1.039 1362 V CA -0.821 61.255 62.300 -0.374 0.000 0.913 1362 V CB 0.745 32.306 31.823 -0.438 0.000 0.983 1362 V HN 0.567 nan 8.190 nan 0.000 0.460 1363 L N 5.275 126.309 121.223 -0.315 0.000 2.410 1363 L HA 0.519 4.859 4.340 0.000 0.000 0.270 1363 L C -0.757 176.089 176.870 -0.040 0.000 0.983 1363 L CA -0.145 54.608 54.840 -0.145 0.000 0.822 1363 L CB 1.777 43.775 42.059 -0.102 0.000 1.285 1363 L HN 0.521 nan 8.230 nan 0.000 0.409 1364 F N 3.745 123.624 119.950 -0.119 0.000 2.391 1364 F HA 0.358 4.885 4.527 0.000 0.000 0.359 1364 F C 0.774 176.591 175.800 0.029 0.000 1.122 1364 F CA -0.460 57.522 58.000 -0.031 0.000 1.120 1364 F CB 0.229 39.251 39.000 0.037 0.000 1.142 1364 F HN 0.715 nan 8.300 nan 0.000 0.483 1365 D N 2.797 122.970 120.400 -0.379 0.000 3.041 1365 D HA -0.250 4.390 4.640 0.000 0.000 0.220 1365 D C 0.509 176.717 176.300 -0.152 0.000 1.157 1365 D CA 0.634 54.438 54.000 -0.327 0.000 0.876 1365 D CB -0.576 39.999 40.800 -0.374 0.000 1.107 1365 D HN 0.613 nan 8.370 nan 0.000 0.422 1366 K N 1.001 121.341 120.400 -0.100 0.000 2.397 1366 K HA -0.056 4.264 4.320 0.000 0.000 0.265 1366 K C 0.186 176.741 176.600 -0.074 0.000 0.982 1366 K CA 0.307 56.554 56.287 -0.066 0.000 0.931 1366 K CB 0.421 32.891 32.500 -0.050 0.000 0.943 1366 K HN -0.050 nan 8.250 nan 0.000 0.501 1367 D N 0.648 121.012 120.400 -0.060 0.000 2.755 1367 D HA -0.162 4.478 4.640 0.000 0.000 0.227 1367 D C -1.125 175.117 176.300 -0.096 0.000 1.211 1367 D CA 0.621 54.583 54.000 -0.064 0.000 0.663 1367 D CB -0.718 40.057 40.800 -0.042 0.000 0.983 1367 D HN 0.151 nan 8.370 nan 0.000 0.407 1368 V N 1.728 121.563 119.914 -0.132 0.000 2.540 1368 V HA 0.185 4.305 4.120 0.000 0.000 0.302 1368 V C 1.295 177.248 176.094 -0.236 0.000 1.035 1368 V CA -0.925 61.253 62.300 -0.203 0.000 0.873 1368 V CB 2.085 33.745 31.823 -0.271 0.000 0.992 1368 V HN 0.094 nan 8.190 nan 0.000 0.428 1369 N N 2.986 121.542 118.700 -0.241 0.000 2.062 1369 N HA -0.133 4.607 4.740 0.000 0.000 0.191 1369 N C 1.402 176.721 175.510 -0.318 0.000 1.042 1369 N CA 1.173 54.091 53.050 -0.220 0.000 0.845 1369 N CB 0.074 38.459 38.487 -0.169 0.000 1.024 1369 N HN 0.716 nan 8.380 nan 0.000 0.424 1370 E N 1.105 121.008 120.200 -0.495 0.000 2.301 1370 E HA -0.161 4.189 4.350 0.000 0.000 0.202 1370 E C 1.794 177.943 176.600 -0.750 0.000 1.017 1370 E CA 0.796 56.765 56.400 -0.720 0.000 0.831 1370 E CB -0.219 28.743 29.700 -1.230 0.000 0.742 1370 E HN 0.380 nan 8.360 nan 0.000 0.491 1371 R N 0.135 120.260 120.500 -0.625 0.000 2.200 1371 R HA -0.078 4.263 4.340 0.000 0.000 0.234 1371 R C 1.108 177.346 176.300 -0.104 0.000 1.127 1371 R CA 1.287 57.247 56.100 -0.233 0.000 0.989 1371 R CB -0.131 30.084 30.300 -0.141 0.000 0.869 1371 R HN 0.278 nan 8.270 nan 0.000 0.459 1372 N N -1.399 117.212 118.700 -0.148 0.000 2.559 1372 N HA 0.023 4.763 4.740 0.000 0.000 0.247 1372 N C 1.404 176.862 175.510 -0.087 0.000 1.063 1372 N CA 0.490 53.490 53.050 -0.082 0.000 0.876 1372 N CB -0.226 38.218 38.487 -0.072 0.000 1.608 1372 N HN -0.091 nan 8.380 nan 0.000 0.467 1373 T N 2.912 117.388 114.554 -0.130 0.000 2.486 1373 T HA -0.076 4.274 4.350 0.000 0.000 0.257 1373 T C 1.155 175.805 174.700 -0.082 0.000 1.175 1373 T CA 1.009 63.044 62.100 -0.109 0.000 1.207 1373 T CB -0.441 68.343 68.868 -0.140 0.000 0.864 1373 T HN -0.082 nan 8.240 nan 0.000 0.405 1374 V N 2.924 122.769 119.914 -0.114 0.000 2.673 1374 V HA 0.075 4.195 4.120 0.000 0.000 0.303 1374 V C 0.508 176.629 176.094 0.045 0.000 1.046 1374 V CA -0.221 62.066 62.300 -0.022 0.000 1.126 1374 V CB 0.744 32.575 31.823 0.013 0.000 0.934 1374 V HN 0.324 nan 8.190 nan 0.000 0.487 1375 K N 3.525 123.960 120.400 0.058 0.000 2.237 1375 K HA 0.401 4.721 4.320 0.000 0.000 0.270 1375 K C 1.305 177.963 176.600 0.097 0.000 1.015 1375 K CA 0.548 56.873 56.287 0.062 0.000 0.949 1375 K CB 0.571 33.096 32.500 0.041 0.000 0.976 1375 K HN 0.928 nan 8.250 nan 0.000 0.472 1376 G N 3.866 112.714 108.800 0.080 0.000 2.451 1376 G HA2 -0.364 3.596 3.960 0.000 0.000 0.253 1376 G HA3 -0.364 3.596 3.960 0.000 0.000 0.253 1376 G C 0.220 175.177 174.900 0.094 0.000 1.033 1376 G CA 0.524 45.665 45.100 0.068 0.000 0.633 1376 G HN 0.800 nan 8.290 nan 0.000 0.537 1377 F N 4.177 124.121 119.950 -0.010 0.000 2.157 1377 F HA 0.033 4.560 4.527 0.000 0.000 0.430 1377 F C 1.328 177.111 175.800 -0.028 0.000 0.907 1377 F CA 0.577 58.567 58.000 -0.016 0.000 0.996 1377 F CB 0.096 39.059 39.000 -0.062 0.000 0.797 1377 F HN 0.446 nan 8.300 nan 0.000 0.500 1378 R N 5.821 126.066 120.500 -0.425 0.000 2.811 1378 R HA 0.182 4.522 4.340 0.000 0.000 0.265 1378 R C -0.241 175.754 176.300 -0.508 0.000 1.026 1378 R CA 0.117 55.969 56.100 -0.414 0.000 1.142 1378 R CB 0.332 30.422 30.300 -0.351 0.000 1.027 1378 R HN 0.541 nan 8.270 nan 0.000 0.465 1379 K N 1.576 121.678 120.400 -0.498 0.000 2.468 1379 K HA 0.401 4.721 4.320 0.000 0.000 0.252 1379 K C -1.321 175.037 176.600 -0.404 0.000 0.932 1379 K CA -0.608 55.536 56.287 -0.238 0.000 0.794 1379 K CB 1.675 34.150 32.500 -0.042 0.000 1.241 1379 K HN 0.255 nan 8.250 nan 0.000 0.428 1380 F N 0.374 120.498 119.950 0.290 0.000 2.631 1380 F HA 0.496 5.023 4.527 0.000 0.000 0.328 1380 F C -0.016 175.973 175.800 0.316 0.000 1.067 1380 F CA -0.939 57.231 58.000 0.282 0.000 0.969 1380 F CB 1.770 40.940 39.000 0.285 0.000 1.332 1380 F HN 0.423 nan 8.300 nan 0.000 0.490 1381 N N 1.296 120.215 118.700 0.364 0.000 2.260 1381 N HA 0.388 5.128 4.740 0.000 0.000 0.293 1381 N C -1.265 174.328 175.510 0.138 0.000 1.058 1381 N CA -0.467 52.722 53.050 0.232 0.000 0.824 1381 N CB 2.460 41.047 38.487 0.167 0.000 1.551 1381 N HN 0.248 nan 8.380 nan 0.000 0.475 1382 I N 1.607 122.231 120.570 0.089 0.000 2.754 1382 I HA 0.022 4.192 4.170 0.000 0.000 0.285 1382 I C 1.322 177.609 176.117 0.284 0.000 1.166 1382 I CA -0.007 61.359 61.300 0.111 0.000 1.417 1382 I CB 0.637 38.657 38.000 0.033 0.000 1.382 1382 I HN 0.533 nan 8.210 nan 0.000 0.588 1383 L N 3.492 124.870 121.223 0.258 0.000 2.694 1383 L HA 0.338 4.678 4.340 0.000 0.000 0.228 1383 L C 1.453 178.376 176.870 0.087 0.000 1.048 1383 L CA 0.769 55.732 54.840 0.204 0.000 0.887 1383 L CB -0.193 41.940 42.059 0.123 0.000 1.265 1383 L HN 0.762 nan 8.230 nan 0.000 0.492 1384 G N -1.006 107.845 108.800 0.085 0.000 2.522 1384 G HA2 0.041 4.001 3.960 0.000 0.000 0.223 1384 G HA3 0.041 4.001 3.960 0.000 0.000 0.223 1384 G C -0.358 174.485 174.900 -0.094 0.000 1.565 1384 G CA -0.044 45.068 45.100 0.019 0.000 1.053 1384 G HN 0.117 nan 8.290 nan 0.000 0.547 1385 T N 0.183 114.753 114.554 0.027 0.000 2.752 1385 T HA 0.229 4.579 4.350 0.000 0.000 0.295 1385 T C 0.870 175.704 174.700 0.224 0.000 0.923 1385 T CA 0.190 62.315 62.100 0.042 0.000 1.112 1385 T CB 0.412 69.350 68.868 0.118 0.000 0.884 1385 T HN 0.496 nan 8.240 nan 0.000 0.525 1386 H N 1.295 120.471 119.070 0.177 0.000 2.512 1386 H HA 0.094 4.650 4.556 0.000 0.000 0.279 1386 H C 1.268 176.788 175.328 0.319 0.000 0.999 1386 H CA 0.009 56.168 56.048 0.185 0.000 1.283 1386 H CB 0.559 30.389 29.762 0.113 0.000 1.421 1386 H HN 0.542 nan 8.280 nan 0.000 0.554 1387 T N -1.287 113.524 114.554 0.428 0.000 2.900 1387 T HA 0.612 4.962 4.350 0.000 0.000 0.295 1387 T C -0.799 174.045 174.700 0.240 0.000 1.044 1387 T CA -1.120 61.225 62.100 0.408 0.000 0.995 1387 T CB 3.256 72.273 68.868 0.248 0.000 1.072 1387 T HN -0.047 nan 8.240 nan 0.000 0.473 1388 K N 1.126 121.595 120.400 0.115 0.000 2.527 1388 K HA 0.664 4.984 4.320 0.000 0.000 0.260 1388 K C -1.640 174.917 176.600 -0.071 0.000 0.937 1388 K CA -0.754 55.422 56.287 -0.185 0.000 0.826 1388 K CB 2.331 34.312 32.500 -0.865 0.000 1.359 1388 K HN 0.625 nan 8.250 nan 0.000 0.434 1389 V N 4.656 124.545 119.914 -0.043 0.000 2.427 1389 V HA 0.409 4.529 4.120 0.000 0.000 0.286 1389 V C 0.254 176.330 176.094 -0.031 0.000 1.034 1389 V CA -0.763 61.547 62.300 0.017 0.000 0.893 1389 V CB 1.432 33.314 31.823 0.098 0.000 0.982 1389 V HN 0.749 nan 8.190 nan 0.000 0.452 1390 M N 5.283 124.859 119.600 -0.040 0.000 2.268 1390 M HA 0.217 4.697 4.480 0.000 0.000 0.349 1390 M C -0.226 175.943 176.300 -0.219 0.000 1.485 1390 M CA 0.478 55.723 55.300 -0.092 0.000 1.094 1390 M CB -0.217 32.354 32.600 -0.049 0.000 1.843 1390 M HN 0.652 nan 8.290 nan 0.000 0.460 1391 N N 2.680 121.236 118.700 -0.240 0.000 2.525 1391 N HA 0.581 5.321 4.740 0.000 0.000 0.288 1391 N C -0.633 174.714 175.510 -0.272 0.000 1.242 1391 N CA -0.642 52.166 53.050 -0.404 0.000 0.905 1391 N CB 1.032 39.391 38.487 -0.214 0.000 1.258 1391 N HN 0.488 nan 8.380 nan 0.000 0.551 1392 M N 0.994 120.433 119.600 -0.268 0.000 2.367 1392 M HA 0.259 4.739 4.480 0.000 0.000 0.339 1392 M C -0.231 176.014 176.300 -0.092 0.000 1.177 1392 M CA -0.224 54.986 55.300 -0.151 0.000 1.068 1392 M CB 0.509 33.035 32.600 -0.122 0.000 1.602 1392 M HN 0.515 nan 8.290 nan 0.000 0.457 1393 E N 0.940 121.098 120.200 -0.071 0.000 2.317 1393 E HA 0.335 4.685 4.350 0.000 0.000 0.270 1393 E C -1.307 175.267 176.600 -0.044 0.000 0.899 1393 E CA -0.590 55.780 56.400 -0.050 0.000 0.814 1393 E CB 0.972 30.641 29.700 -0.052 0.000 1.296 1393 E HN 0.537 nan 8.360 nan 0.000 0.404 1394 E N 2.335 122.516 120.200 -0.033 0.000 2.734 1394 E HA -0.003 4.347 4.350 0.000 0.000 0.235 1394 E C -0.361 176.221 176.600 -0.032 0.000 1.107 1394 E CA 0.517 56.899 56.400 -0.029 0.000 0.951 1394 E CB 0.358 30.045 29.700 -0.021 0.000 0.955 1394 E HN 0.442 nan 8.360 nan 0.000 0.515 1395 S N 1.485 117.163 115.700 -0.037 0.000 2.626 1395 S HA 0.161 4.631 4.470 0.000 0.000 0.243 1395 S C 1.249 175.829 174.600 -0.033 0.000 1.116 1395 S CA -0.623 57.554 58.200 -0.037 0.000 1.089 1395 S CB 0.603 63.776 63.200 -0.046 0.000 1.180 1395 S HN 0.516 nan 8.310 nan 0.000 0.523 1396 T N 2.029 116.562 114.554 -0.035 0.000 3.060 1396 T HA 0.235 4.585 4.350 0.000 0.000 0.249 1396 T C 0.405 175.084 174.700 -0.035 0.000 1.079 1396 T CA 0.130 62.211 62.100 -0.031 0.000 1.013 1396 T CB -0.166 68.684 68.868 -0.031 0.000 0.975 1396 T HN 0.398 nan 8.240 nan 0.000 0.518 1397 N N 0.345 119.020 118.700 -0.041 0.000 2.036 1397 N HA 0.259 4.999 4.740 0.000 0.000 0.228 1397 N C 0.989 176.471 175.510 -0.046 0.000 1.368 1397 N CA 0.335 53.359 53.050 -0.044 0.000 0.846 1397 N CB 1.714 40.168 38.487 -0.055 0.000 1.145 1397 N HN 0.431 nan 8.380 nan 0.000 0.502 1398 G N 2.024 110.797 108.800 -0.046 0.000 2.641 1398 G HA2 -0.181 3.779 3.960 0.000 0.000 0.254 1398 G HA3 -0.181 3.779 3.960 0.000 0.000 0.254 1398 G C -0.442 174.420 174.900 -0.063 0.000 1.315 1398 G CA 0.140 45.210 45.100 -0.050 0.000 0.907 1398 G HN 1.042 nan 8.290 nan 0.000 0.572 1399 S N -2.776 112.881 115.700 -0.071 0.000 2.714 1399 S HA 0.464 4.934 4.470 0.000 0.000 0.284 1399 S C -1.356 173.189 174.600 -0.091 0.000 1.019 1399 S CA 0.073 58.223 58.200 -0.084 0.000 0.856 1399 S CB 1.309 64.454 63.200 -0.090 0.000 1.075 1399 S HN 2.141 nan 8.310 nan 0.000 0.455 1400 L N 2.368 123.536 121.223 -0.093 0.000 2.287 1400 L HA 0.888 5.228 4.340 0.000 0.000 0.280 1400 L C 0.065 176.886 176.870 -0.081 0.000 1.055 1400 L CA 0.375 55.156 54.840 -0.098 0.000 0.863 1400 L CB 0.034 42.044 42.059 -0.083 0.000 1.245 1400 L HN 1.253 nan 8.230 nan 0.000 0.432 1401 A N 3.773 126.539 122.820 -0.089 0.000 2.564 1401 A HA 1.002 5.322 4.320 0.000 0.000 0.288 1401 A C -1.390 176.145 177.584 -0.081 0.000 1.164 1401 A CA -0.197 51.797 52.037 -0.070 0.000 0.712 1401 A CB 1.610 20.560 19.000 -0.083 0.000 1.303 1401 A HN 0.921 nan 8.150 nan 0.000 0.418 1402 A N 0.378 123.153 122.820 -0.075 0.000 2.385 1402 A HA 0.652 4.972 4.320 0.000 0.000 0.290 1402 A C -0.809 176.661 177.584 -0.190 0.000 1.094 1402 A CA -0.219 51.723 52.037 -0.159 0.000 0.729 1402 A CB 0.851 19.761 19.000 -0.150 0.000 1.194 1402 A HN 0.815 nan 8.150 nan 0.000 0.442 1403 E N 2.855 122.917 120.200 -0.230 0.000 2.151 1403 E HA 0.577 4.927 4.350 0.000 0.000 0.275 1403 E C -1.685 174.796 176.600 -0.197 0.000 0.936 1403 E CA -0.434 55.889 56.400 -0.128 0.000 0.777 1403 E CB 0.672 30.320 29.700 -0.086 0.000 1.108 1403 E HN 0.437 nan 8.360 nan 0.000 0.401 1404 F N 3.796 123.713 119.950 -0.055 0.000 2.404 1404 F HA 0.463 4.990 4.527 0.000 0.000 0.354 1404 F C 0.829 176.533 175.800 -0.160 0.000 1.122 1404 F CA -0.602 57.366 58.000 -0.053 0.000 1.080 1404 F CB 1.189 40.191 39.000 0.003 0.000 1.131 1404 F HN 0.334 nan 8.300 nan 0.000 0.471 1405 R N 0.274 120.719 120.500 -0.090 0.000 3.024 1405 R HA 0.472 4.812 4.340 0.000 0.000 0.224 1405 R C -0.718 175.387 176.300 -0.324 0.000 1.490 1405 R CA -1.178 54.718 56.100 -0.341 0.000 1.057 1405 R CB 0.574 30.488 30.300 -0.644 0.000 1.723 1405 R HN 0.597 nan 8.270 nan 0.000 0.520 1406 H N -0.152 118.881 119.070 -0.061 0.000 2.794 1406 H HA -0.147 4.409 4.556 0.000 0.000 0.334 1406 H C -1.118 174.149 175.328 -0.102 0.000 1.154 1406 H CA 0.495 56.511 56.048 -0.053 0.000 1.129 1406 H CB -1.735 28.017 29.762 -0.017 0.000 1.600 1406 H HN 0.283 nan 8.280 nan 0.000 0.410 1407 L N 0.983 122.105 121.223 -0.168 0.000 2.466 1407 L HA 0.484 4.824 4.340 0.000 0.000 0.258 1407 L C 0.007 176.837 176.870 -0.067 0.000 0.973 1407 L CA -0.694 53.950 54.840 -0.326 0.000 0.826 1407 L CB 2.683 44.086 42.059 -1.094 0.000 1.372 1407 L HN 0.488 nan 8.230 nan 0.000 0.409 1408 Q N 1.734 121.666 119.800 0.221 0.000 2.578 1408 Q HA 0.644 4.984 4.340 0.000 0.000 0.284 1408 Q C -2.241 173.871 176.000 0.188 0.000 0.960 1408 Q CA -0.990 55.006 55.803 0.322 0.000 0.809 1408 Q CB 2.323 31.163 28.738 0.170 0.000 1.462 1408 Q HN 0.285 nan 8.270 nan 0.000 0.392 1409 L N 1.357 122.594 121.223 0.023 0.000 2.334 1409 L HA 0.672 5.012 4.340 0.000 0.000 0.272 1409 L C -0.666 176.237 176.870 0.054 0.000 1.020 1409 L CA -0.231 54.561 54.840 -0.080 0.000 0.812 1409 L CB 1.740 43.553 42.059 -0.410 0.000 1.264 1409 L HN 0.789 nan 8.230 nan 0.000 0.439 1410 K N 1.221 121.727 120.400 0.177 0.000 2.468 1410 K HA 0.320 4.640 4.320 0.000 0.000 0.252 1410 K C -0.858 175.923 176.600 0.303 0.000 0.932 1410 K CA -0.606 55.804 56.287 0.204 0.000 0.794 1410 K CB 1.488 34.068 32.500 0.133 0.000 1.241 1410 K HN 0.476 nan 8.250 nan 0.000 0.428 1411 E N 3.570 123.917 120.200 0.245 0.000 2.161 1411 E HA -0.056 4.294 4.350 0.000 0.000 0.263 1411 E C -0.350 176.220 176.600 -0.049 0.000 1.185 1411 E CA 0.255 56.677 56.400 0.037 0.000 0.938 1411 E CB 0.936 30.660 29.700 0.040 0.000 1.023 1411 E HN 0.432 nan 8.360 nan 0.000 0.433 1423 P HA 0.605 nan 4.420 nan 0.000 0.325 1423 P C 0.679 178.014 177.300 0.060 0.000 1.298 1423 P CA -0.747 62.389 63.100 0.060 0.000 0.771 1423 P CB 1.068 32.816 31.700 0.082 0.000 1.389 1424 L N -0.630 120.634 121.223 0.069 0.000 2.005 1424 L HA -0.004 4.336 4.340 0.000 0.000 0.207 1424 L C 1.302 178.216 176.870 0.074 0.000 1.072 1424 L CA 1.396 56.274 54.840 0.063 0.000 0.744 1424 L CB -1.675 40.422 42.059 0.063 0.000 0.895 1424 L HN 0.379 nan 8.230 nan 0.000 0.433 1425 I N -2.808 117.821 120.570 0.098 0.000 2.499 1425 I HA 0.412 4.582 4.170 0.000 0.000 0.296 1425 I C 0.731 176.905 176.117 0.095 0.000 0.992 1425 I CA -1.176 60.190 61.300 0.109 0.000 1.297 1425 I CB -0.116 37.978 38.000 0.158 0.000 1.410 1425 I HN -0.247 nan 8.210 nan 0.000 0.507 1426 V N 2.779 122.742 119.914 0.081 0.000 4.036 1426 V HA -0.103 4.017 4.120 0.000 0.000 0.279 1426 V C 1.679 177.819 176.094 0.077 0.000 0.989 1426 V CA 0.560 62.901 62.300 0.068 0.000 1.003 1426 V CB -0.278 31.581 31.823 0.060 0.000 1.209 1426 V HN 0.989 nan 8.190 nan 0.000 0.447 1427 T N -0.270 114.323 114.554 0.067 0.000 3.284 1427 T HA 0.012 4.362 4.350 0.000 0.000 0.252 1427 T C 0.451 175.200 174.700 0.082 0.000 1.144 1427 T CA 0.331 62.474 62.100 0.072 0.000 1.021 1427 T CB -0.614 68.288 68.868 0.057 0.000 0.984 1427 T HN 0.507 nan 8.240 nan 0.000 0.545 1428 E N 2.846 123.098 120.200 0.086 0.000 2.360 1428 E HA 0.178 4.528 4.350 0.000 0.000 0.253 1428 E C -0.198 176.535 176.600 0.223 0.000 1.189 1428 E CA -0.223 56.239 56.400 0.103 0.000 1.252 1428 E CB 0.124 29.816 29.700 -0.012 0.000 1.408 1428 E HN 0.673 nan 8.360 nan 0.000 0.464 1429 E N 1.172 121.520 120.200 0.246 0.000 2.179 1429 E HA 0.453 4.803 4.350 0.000 0.000 0.275 1429 E C -0.458 176.382 176.600 0.399 0.000 0.945 1429 E CA -0.751 55.850 56.400 0.335 0.000 0.792 1429 E CB 1.637 31.523 29.700 0.309 0.000 1.125 1429 E HN 0.100 nan 8.360 nan 0.000 0.397 1430 L N 3.275 124.734 121.223 0.394 0.000 2.334 1430 L HA 0.443 4.783 4.340 0.000 0.000 0.277 1430 L C 0.345 177.482 176.870 0.445 0.000 1.075 1430 L CA -0.578 54.457 54.840 0.326 0.000 0.804 1430 L CB 0.615 42.742 42.059 0.114 0.000 1.174 1430 L HN 0.588 nan 8.230 nan 0.000 0.438 1431 H N 0.461 119.560 119.070 0.049 0.000 2.864 1431 H HA 0.632 5.188 4.556 0.000 0.000 0.354 1431 H C -0.788 174.506 175.328 -0.057 0.000 1.208 1431 H CA -0.907 55.134 56.048 -0.012 0.000 1.191 1431 H CB 2.432 32.129 29.762 -0.107 0.000 1.889 1431 H HN 0.637 nan 8.280 nan 0.000 0.574 1432 S N 0.864 116.560 115.700 -0.007 0.000 2.564 1432 S HA 0.481 4.951 4.470 0.000 0.000 0.274 1432 S C -1.253 173.383 174.600 0.060 0.000 1.124 1432 S CA -0.996 57.221 58.200 0.029 0.000 0.869 1432 S CB 1.489 64.680 63.200 -0.016 0.000 1.105 1432 S HN 0.404 nan 8.310 nan 0.000 0.472 1433 L N 2.084 123.383 121.223 0.128 0.000 2.295 1433 L HA 0.595 4.935 4.340 0.000 0.000 0.285 1433 L C 0.094 176.853 176.870 -0.185 0.000 1.035 1433 L CA -0.464 54.402 54.840 0.043 0.000 0.806 1433 L CB 1.844 43.964 42.059 0.102 0.000 1.214 1433 L HN 0.746 nan 8.230 nan 0.000 0.426 1434 S N 2.313 117.783 115.700 -0.383 0.000 2.501 1434 S HA 0.693 5.163 4.470 0.000 0.000 0.301 1434 S C -0.953 173.218 174.600 -0.714 0.000 1.096 1434 S CA -0.381 57.611 58.200 -0.348 0.000 1.063 1434 S CB 0.822 63.937 63.200 -0.143 0.000 1.042 1434 S HN 0.260 nan 8.310 nan 0.000 0.494 1435 F N 1.968 121.973 119.950 0.092 0.000 2.496 1435 F HA 0.427 4.954 4.527 0.000 0.000 0.341 1435 F C 0.387 176.387 175.800 0.334 0.000 1.134 1435 F CA -0.642 57.469 58.000 0.185 0.000 0.968 1435 F CB 1.455 40.548 39.000 0.155 0.000 1.205 1435 F HN 0.443 nan 8.300 nan 0.000 0.436 1436 E N 1.349 121.747 120.200 0.331 0.000 2.227 1436 E HA 0.732 5.082 4.350 0.000 0.000 0.268 1436 E C -0.582 176.098 176.600 0.133 0.000 0.907 1436 E CA -0.776 55.749 56.400 0.209 0.000 0.786 1436 E CB 2.716 32.482 29.700 0.110 0.000 1.191 1436 E HN 0.545 nan 8.360 nan 0.000 0.411 1437 T N 1.057 115.594 114.554 -0.029 0.000 2.739 1437 T HA 0.311 4.661 4.350 0.000 0.000 0.303 1437 T C -2.039 172.593 174.700 -0.113 0.000 1.389 1437 T CA -0.613 61.427 62.100 -0.100 0.000 1.001 1437 T CB 1.750 70.453 68.868 -0.276 0.000 1.436 1437 T HN 0.456 nan 8.240 nan 0.000 0.500 1438 Q N 1.513 121.264 119.800 -0.082 0.000 2.386 1438 Q HA 0.579 4.919 4.340 0.000 0.000 0.274 1438 Q C -2.147 173.840 176.000 -0.021 0.000 1.011 1438 Q CA -0.807 54.971 55.803 -0.043 0.000 0.867 1438 Q CB 1.982 30.722 28.738 0.003 0.000 1.409 1438 Q HN 0.550 nan 8.270 nan 0.000 0.395 1439 L N 3.357 124.583 121.223 0.005 0.000 2.257 1439 L HA 0.526 4.866 4.340 0.000 0.000 0.290 1439 L C -1.528 175.386 176.870 0.073 0.000 1.044 1439 L CA -0.123 54.741 54.840 0.040 0.000 0.810 1439 L CB 0.925 43.021 42.059 0.063 0.000 1.193 1439 L HN 0.752 nan 8.230 nan 0.000 0.425 1440 C N 5.311 124.650 119.300 0.065 0.000 2.281 1440 C HA 0.734 5.194 4.460 0.000 0.000 0.323 1440 C C 0.215 175.248 174.990 0.072 0.000 1.270 1440 C CA -0.532 58.527 59.018 0.068 0.000 1.559 1440 C CB 0.589 28.360 27.740 0.052 0.000 2.239 1440 C HN 0.870 nan 8.230 nan 0.000 0.488 1441 Q N 2.389 122.238 119.800 0.081 0.000 2.893 1441 Q HA 0.453 4.793 4.340 0.000 0.000 0.331 1441 Q C -2.693 173.348 176.000 0.069 0.000 0.893 1441 Q CA -1.412 54.437 55.803 0.076 0.000 0.783 1441 Q CB 1.423 30.216 28.738 0.091 0.000 1.440 1441 Q HN 0.447 nan 8.270 nan 0.000 0.508 1442 P HA -0.038 nan 4.420 nan 0.000 0.261 1442 P C 0.376 177.716 177.300 0.065 0.000 1.203 1442 P CA 1.086 64.218 63.100 0.054 0.000 0.767 1442 P CB -0.138 31.591 31.700 0.050 0.000 0.785 1443 G N 2.513 111.338 108.800 0.042 0.000 2.380 1443 G HA2 -0.252 3.708 3.960 0.000 0.000 0.298 1443 G HA3 -0.252 3.708 3.960 0.000 0.000 0.298 1443 G C -0.222 174.712 174.900 0.057 0.000 0.989 1443 G CA 0.470 45.590 45.100 0.032 0.000 0.836 1443 G HN 0.631 nan 8.290 nan 0.000 0.511 1444 L N -0.238 121.036 121.223 0.085 0.000 2.376 1444 L HA 0.792 5.132 4.340 0.000 0.000 0.275 1444 L C -0.708 176.248 176.870 0.143 0.000 0.987 1444 L CA -1.020 53.899 54.840 0.132 0.000 0.828 1444 L CB 2.457 44.629 42.059 0.188 0.000 1.249 1444 L HN 0.064 nan 8.230 nan 0.000 0.409 1445 V N 6.752 126.766 119.914 0.166 0.000 2.610 1445 V HA 0.513 4.633 4.120 0.000 0.000 0.298 1445 V C -0.534 175.684 176.094 0.206 0.000 1.067 1445 V CA -0.313 62.078 62.300 0.150 0.000 0.894 1445 V CB 1.850 33.728 31.823 0.092 0.000 1.015 1445 V HN 0.630 nan 8.190 nan 0.000 0.432 1446 I N 3.588 124.261 120.570 0.172 0.000 2.465 1446 I HA 0.498 4.668 4.170 0.000 0.000 0.291 1446 I C -0.810 175.340 176.117 0.055 0.000 1.014 1446 I CA -0.568 60.816 61.300 0.140 0.000 1.093 1446 I CB 2.289 40.351 38.000 0.104 0.000 1.267 1446 I HN 0.480 nan 8.210 nan 0.000 0.431 1447 D N 7.330 127.758 120.400 0.045 0.000 2.198 1447 D HA 0.512 5.152 4.640 0.000 0.000 0.245 1447 D C -0.602 175.688 176.300 -0.016 0.000 1.079 1447 D CA -0.176 53.832 54.000 0.013 0.000 0.854 1447 D CB 2.284 43.105 40.800 0.035 0.000 1.148 1447 D HN 0.238 nan 8.370 nan 0.000 0.456 1448 L N 1.750 122.925 121.223 -0.079 0.000 2.329 1448 L HA 0.522 4.862 4.340 0.000 0.000 0.279 1448 L C 0.144 177.014 176.870 0.000 0.000 1.014 1448 L CA -0.582 54.187 54.840 -0.119 0.000 0.814 1448 L CB 2.014 43.804 42.059 -0.448 0.000 1.257 1448 L HN 0.352 nan 8.230 nan 0.000 0.424 1449 E N 1.788 122.123 120.200 0.226 0.000 2.375 1449 E HA 0.589 4.939 4.350 0.000 0.000 0.280 1449 E C -1.795 175.044 176.600 0.399 0.000 0.972 1449 E CA -0.388 56.223 56.400 0.351 0.000 0.782 1449 E CB 2.994 32.802 29.700 0.181 0.000 1.229 1449 E HN 0.532 nan 8.360 nan 0.000 0.439 1450 T N 0.913 115.685 114.554 0.363 0.000 2.786 1450 T HA 0.494 4.844 4.350 0.000 0.000 0.316 1450 T C -1.615 173.209 174.700 0.205 0.000 1.503 1450 T CA 0.018 62.230 62.100 0.187 0.000 1.019 1450 T CB 1.620 70.486 68.868 -0.004 0.000 1.415 1450 T HN 0.672 nan 8.240 nan 0.000 0.496 1451 T N -0.365 114.277 114.554 0.147 0.000 2.906 1451 T HA 0.774 5.124 4.350 0.000 0.000 0.295 1451 T C 0.354 175.149 174.700 0.158 0.000 1.075 1451 T CA -0.211 61.995 62.100 0.176 0.000 1.005 1451 T CB 1.429 70.346 68.868 0.082 0.000 1.136 1451 T HN 0.951 nan 8.240 nan 0.000 0.498 1452 S N 1.752 117.580 115.700 0.214 0.000 2.634 1452 S HA 0.532 5.002 4.470 0.000 0.000 0.261 1452 S C 0.462 175.095 174.600 0.055 0.000 1.271 1452 S CA -0.991 57.299 58.200 0.150 0.000 0.985 1452 S CB -0.213 63.118 63.200 0.219 0.000 0.968 1452 S HN 0.749 nan 8.310 nan 0.000 0.568 1453 L N 1.914 123.142 121.223 0.009 0.000 2.473 1453 L HA 0.315 4.655 4.340 0.000 0.000 0.268 1453 L C -1.756 175.026 176.870 -0.147 0.000 1.215 1453 L CA -1.980 52.809 54.840 -0.084 0.000 0.823 1453 L CB -0.069 41.933 42.059 -0.096 0.000 1.099 1453 L HN 0.557 nan 8.230 nan 0.000 0.483 1454 P HA 0.005 nan 4.420 nan 0.000 0.266 1454 P C -0.775 176.405 177.300 -0.200 0.000 1.193 1454 P CA 0.065 62.977 63.100 -0.313 0.000 0.770 1454 P CB 0.828 32.144 31.700 -0.640 0.000 0.836 1455 V N 2.649 122.523 119.914 -0.067 0.000 3.019 1455 V HA 0.426 4.546 4.120 0.000 0.000 0.317 1455 V C 0.171 176.238 176.094 -0.044 0.000 1.094 1455 V CA -0.807 61.466 62.300 -0.044 0.000 1.000 1455 V CB 2.507 34.332 31.823 0.003 0.000 1.060 1455 V HN 0.258 nan 8.190 nan 0.000 0.443 1456 V N 2.597 122.459 119.914 -0.086 0.000 2.531 1456 V HA 0.489 4.609 4.120 0.000 0.000 0.301 1456 V C -0.511 175.446 176.094 -0.228 0.000 1.034 1456 V CA -0.555 61.684 62.300 -0.102 0.000 0.865 1456 V CB 1.972 33.793 31.823 -0.004 0.000 0.995 1456 V HN 0.582 nan 8.190 nan 0.000 0.424 1457 V N 6.500 126.192 119.914 -0.369 0.000 2.472 1457 V HA 0.635 4.755 4.120 0.000 0.000 0.290 1457 V C -0.115 175.803 176.094 -0.292 0.000 1.037 1457 V CA -0.398 61.602 62.300 -0.500 0.000 0.908 1457 V CB 1.481 32.679 31.823 -1.042 0.000 0.985 1457 V HN 0.830 nan 8.190 nan 0.000 0.454 1458 I N 1.119 121.549 120.570 -0.234 0.000 3.042 1458 I HA 0.651 4.821 4.170 0.000 0.000 0.310 1458 I C 0.472 176.539 176.117 -0.083 0.000 1.117 1458 I CA -0.360 60.873 61.300 -0.111 0.000 1.003 1458 I CB 2.245 40.194 38.000 -0.085 0.000 1.228 1458 I HN 0.313 nan 8.210 nan 0.000 0.443 1459 S N 0.689 116.375 115.700 -0.024 0.000 2.468 1459 S HA 0.169 4.639 4.470 0.000 0.000 0.226 1459 S C 0.472 175.064 174.600 -0.013 0.000 1.051 1459 S CA 0.200 58.399 58.200 -0.002 0.000 0.943 1459 S CB -0.131 63.087 63.200 0.030 0.000 0.810 1459 S HN 0.763 nan 8.310 nan 0.000 0.509 1460 N N 0.601 119.289 118.700 -0.019 0.000 2.240 1460 N HA 0.203 4.943 4.740 0.000 0.000 0.302 1460 N C 0.999 176.486 175.510 -0.039 0.000 1.106 1460 N CA -0.148 52.890 53.050 -0.020 0.000 0.778 1460 N CB 2.004 40.488 38.487 -0.005 0.000 1.431 1460 N HN -0.117 nan 8.380 nan 0.000 0.479 1461 V N 2.149 122.038 119.914 -0.042 0.000 2.313 1461 V HA -0.321 3.799 4.120 0.000 0.000 0.253 1461 V C 2.423 178.493 176.094 -0.040 0.000 1.070 1461 V CA 2.574 64.837 62.300 -0.061 0.000 1.057 1461 V CB -1.337 30.478 31.823 -0.013 0.000 0.653 1461 V HN 0.867 nan 8.190 nan 0.000 0.450 1462 S N 0.335 116.024 115.700 -0.018 0.000 2.461 1462 S HA -0.333 4.137 4.470 0.000 0.000 0.246 1462 S C 1.729 176.334 174.600 0.008 0.000 1.007 1462 S CA 1.968 60.163 58.200 -0.007 0.000 0.976 1462 S CB -0.592 62.605 63.200 -0.004 0.000 0.763 1462 S HN 0.808 nan 8.310 nan 0.000 0.508 1463 Q N 0.139 119.942 119.800 0.004 0.000 2.402 1463 Q HA 0.335 4.675 4.340 0.000 0.000 0.206 1463 Q C 1.940 177.975 176.000 0.059 0.000 0.919 1463 Q CA 0.167 55.988 55.803 0.030 0.000 0.923 1463 Q CB -0.278 28.468 28.738 0.014 0.000 1.048 1463 Q HN 0.469 nan 8.270 nan 0.000 0.515 1464 L N 1.885 123.123 121.223 0.025 0.000 1.997 1464 L HA -0.228 4.112 4.340 0.000 0.000 0.216 1464 L C -0.505 176.491 176.870 0.210 0.000 1.074 1464 L CA 1.913 56.788 54.840 0.059 0.000 0.763 1464 L CB -1.439 40.600 42.059 -0.032 0.000 0.890 1464 L HN 0.228 nan 8.230 nan 0.000 0.434 1465 P HA -0.183 nan 4.420 nan 0.000 0.214 1465 P C 1.536 179.174 177.300 0.562 0.000 1.163 1465 P CA 2.254 65.597 63.100 0.405 0.000 0.889 1465 P CB -0.077 31.736 31.700 0.188 0.000 0.790 1466 S N 0.400 116.303 115.700 0.338 0.000 2.353 1466 S HA -0.104 4.366 4.470 0.000 0.000 0.222 1466 S C 2.523 177.267 174.600 0.239 0.000 1.035 1466 S CA 1.528 59.893 58.200 0.274 0.000 1.025 1466 S CB -1.903 61.394 63.200 0.161 0.000 0.902 1466 S HN 0.335 nan 8.310 nan 0.000 0.440 1467 G N 1.065 109.988 108.800 0.204 0.000 2.476 1467 G HA2 -0.274 3.686 3.960 0.000 0.000 0.218 1467 G HA3 -0.274 3.686 3.960 0.000 0.000 0.218 1467 G C 1.152 176.187 174.900 0.225 0.000 1.164 1467 G CA 0.826 46.032 45.100 0.176 0.000 0.768 1467 G HN 0.618 nan 8.290 nan 0.000 0.560 1468 W N 1.809 123.181 121.300 0.119 0.000 2.342 1468 W HA -0.128 4.532 4.660 0.000 0.000 0.297 1468 W C 2.545 179.091 176.519 0.046 0.000 1.213 1468 W CA 1.614 59.021 57.345 0.104 0.000 1.251 1468 W CB -0.142 29.419 29.460 0.168 0.000 1.136 1468 W HN 0.342 nan 8.180 nan 0.000 0.526 1469 A N 0.810 123.588 122.820 -0.070 0.000 1.883 1469 A HA -0.259 4.061 4.320 0.000 0.000 0.217 1469 A C 2.106 179.801 177.584 0.186 0.000 1.186 1469 A CA 2.625 54.529 52.037 -0.222 0.000 0.624 1469 A CB -1.228 17.709 19.000 -0.106 0.000 0.822 1469 A HN 0.331 nan 8.150 nan 0.000 0.444 1470 S N 0.257 116.118 115.700 0.268 0.000 2.351 1470 S HA -0.166 4.304 4.470 0.000 0.000 0.220 1470 S C 1.826 176.617 174.600 0.319 0.000 1.035 1470 S CA 1.555 59.957 58.200 0.337 0.000 1.031 1470 S CB -0.527 62.796 63.200 0.206 0.000 0.928 1470 S HN 0.470 nan 8.310 nan 0.000 0.433 1471 I N 1.826 122.411 120.570 0.024 0.000 2.185 1471 I HA -0.190 3.980 4.170 0.000 0.000 0.246 1471 I C 2.284 178.226 176.117 -0.293 0.000 1.088 1471 I CA 1.271 62.469 61.300 -0.170 0.000 1.347 1471 I CB -1.522 36.282 38.000 -0.327 0.000 1.041 1471 I HN 0.264 nan 8.210 nan 0.000 0.415 1472 L N -0.888 120.026 121.223 -0.515 0.000 1.989 1472 L HA -0.272 4.068 4.340 0.000 0.000 0.211 1472 L C 2.678 179.495 176.870 -0.088 0.000 1.071 1472 L CA 1.812 56.390 54.840 -0.437 0.000 0.749 1472 L CB -0.490 41.251 42.059 -0.530 0.000 0.890 1472 L HN 0.423 nan 8.230 nan 0.000 0.431 1473 W N -0.340 120.942 121.300 -0.030 0.000 2.353 1473 W HA -0.331 4.329 4.660 0.000 0.000 0.319 1473 W C 2.713 179.196 176.519 -0.061 0.000 1.207 1473 W CA 1.978 59.388 57.345 0.108 0.000 1.291 1473 W CB -0.695 29.053 29.460 0.479 0.000 1.159 1473 W HN 0.188 nan 8.180 nan 0.000 0.478 1474 Y N 1.912 122.142 120.300 -0.117 0.000 2.040 1474 Y HA -0.373 4.177 4.550 0.000 0.000 0.275 1474 Y C 2.422 177.958 175.900 -0.607 0.000 1.171 1474 Y CA 2.752 60.347 58.100 -0.842 0.000 1.123 1474 Y CB -1.037 36.980 38.460 -0.737 0.000 0.963 1474 Y HN -0.080 nan 8.280 nan 0.000 0.493 1475 N N 0.066 118.730 118.700 -0.060 0.000 2.381 1475 N HA -0.185 4.555 4.740 0.000 0.000 0.182 1475 N C 1.886 177.277 175.510 -0.198 0.000 1.025 1475 N CA 1.449 54.450 53.050 -0.081 0.000 0.888 1475 N CB -0.254 38.216 38.487 -0.028 0.000 0.965 1475 N HN 0.556 nan 8.380 nan 0.000 0.438 1476 M N 0.207 119.647 119.600 -0.268 0.000 2.288 1476 M HA -0.017 4.463 4.480 0.000 0.000 0.266 1476 M C 1.280 177.371 176.300 -0.348 0.000 1.072 1476 M CA 1.177 56.302 55.300 -0.292 0.000 1.132 1476 M CB 0.309 32.675 32.600 -0.390 0.000 1.386 1476 M HN 0.017 nan 8.290 nan 0.000 0.432 1477 L N -0.932 120.029 121.223 -0.435 0.000 2.349 1477 L HA 0.208 4.548 4.340 0.000 0.000 0.200 1477 L C 0.867 177.527 176.870 -0.349 0.000 1.064 1477 L CA -0.380 54.239 54.840 -0.370 0.000 0.821 1477 L CB -0.120 41.742 42.059 -0.328 0.000 1.027 1477 L HN -0.057 nan 8.230 nan 0.000 0.476 1478 V N -0.013 119.554 119.914 -0.579 0.000 3.133 1478 V HA 0.295 4.415 4.120 0.000 0.000 0.305 1478 V C 0.971 176.861 176.094 -0.339 0.000 1.084 1478 V CA 0.584 62.544 62.300 -0.566 0.000 1.089 1478 V CB 1.308 32.415 31.823 -1.193 0.000 1.073 1478 V HN 0.309 nan 8.190 nan 0.000 0.477 1479 A N 0.796 123.492 122.820 -0.207 0.000 2.242 1479 A HA 0.313 4.633 4.320 0.000 0.000 0.205 1479 A C 0.705 178.266 177.584 -0.039 0.000 1.353 1479 A CA -0.205 51.771 52.037 -0.102 0.000 1.005 1479 A CB -0.026 18.929 19.000 -0.075 0.000 1.127 1479 A HN 0.832 nan 8.150 nan 0.000 0.498 1480 E N 0.989 121.168 120.200 -0.033 0.000 2.371 1480 E HA 0.229 4.579 4.350 0.000 0.000 0.257 1480 E C -1.859 174.799 176.600 0.097 0.000 1.134 1480 E CA -1.370 55.045 56.400 0.027 0.000 0.919 1480 E CB 0.688 30.401 29.700 0.022 0.000 1.025 1480 E HN 0.173 nan 8.360 nan 0.000 0.438 1481 P HA 0.111 nan 4.420 nan 0.000 0.252 1481 P C -0.399 176.924 177.300 0.039 0.000 1.218 1481 P CA 0.402 63.537 63.100 0.058 0.000 0.807 1481 P CB 0.804 32.531 31.700 0.045 0.000 1.072 1482 R N 0.549 121.086 120.500 0.062 0.000 2.604 1482 R HA 0.358 4.699 4.340 0.000 0.000 0.281 1482 R C -0.043 176.296 176.300 0.066 0.000 1.020 1482 R CA -0.301 55.823 56.100 0.040 0.000 0.899 1482 R CB 1.780 32.088 30.300 0.014 0.000 1.205 1482 R HN 0.008 nan 8.270 nan 0.000 0.450 1483 N N 0.718 119.457 118.700 0.065 0.000 2.439 1483 N HA -0.025 4.715 4.740 0.000 0.000 0.318 1483 N C 0.722 176.262 175.510 0.051 0.000 0.676 1483 N CA -0.009 53.083 53.050 0.070 0.000 0.624 1483 N CB 0.245 38.811 38.487 0.132 0.000 2.376 1483 N HN 0.462 nan 8.380 nan 0.000 1.245 1484 L N 0.736 122.001 121.223 0.070 0.000 4.839 1484 L HA -0.269 4.071 4.340 0.000 0.000 0.445 1484 L C 0.413 177.342 176.870 0.099 0.000 1.101 1484 L CA 1.621 56.499 54.840 0.063 0.000 0.952 1484 L CB -1.790 40.278 42.059 0.014 0.000 1.871 1484 L HN 0.534 nan 8.230 nan 0.000 0.893 1485 S N -2.072 113.678 115.700 0.083 0.000 2.663 1485 S HA 0.156 4.626 4.470 0.000 0.000 0.243 1485 S C 0.948 175.575 174.600 0.046 0.000 1.009 1485 S CA -0.098 58.141 58.200 0.065 0.000 0.988 1485 S CB 0.065 63.273 63.200 0.014 0.000 0.896 1485 S HN 0.349 nan 8.310 nan 0.000 0.502 1486 F N 2.682 122.551 119.950 -0.135 0.000 2.115 1486 F HA 0.010 4.537 4.527 0.000 0.000 0.300 1486 F C 0.386 175.969 175.800 -0.361 0.000 1.092 1486 F CA 1.136 58.955 58.000 -0.302 0.000 1.245 1486 F CB -0.342 38.396 39.000 -0.437 0.000 0.995 1486 F HN 0.286 nan 8.300 nan 0.000 0.481 1487 F N 1.443 121.349 119.950 -0.074 0.000 2.733 1487 F HA 0.224 4.751 4.527 0.000 0.000 0.344 1487 F C 0.738 176.430 175.800 -0.179 0.000 1.179 1487 F CA 0.033 57.869 58.000 -0.273 0.000 1.316 1487 F CB -0.512 38.372 39.000 -0.194 0.000 1.577 1487 F HN -0.001 nan 8.300 nan 0.000 0.591 1488 L N -1.035 120.146 121.223 -0.070 0.000 3.017 1488 L HA 0.160 4.500 4.340 0.000 0.000 0.265 1488 L C 0.550 177.379 176.870 -0.069 0.000 1.128 1488 L CA 0.391 55.213 54.840 -0.029 0.000 0.984 1488 L CB 0.757 42.803 42.059 -0.021 0.000 1.464 1488 L HN 0.035 nan 8.230 nan 0.000 0.556 1489 T N -0.077 114.382 114.554 -0.157 0.000 3.967 1489 T HA 0.221 4.571 4.350 0.000 0.000 0.262 1489 T C -2.518 172.036 174.700 -0.245 0.000 0.966 1489 T CA -0.702 61.312 62.100 -0.144 0.000 1.169 1489 T CB 0.535 69.333 68.868 -0.118 0.000 1.038 1489 T HN -0.188 nan 8.240 nan 0.000 0.541 1490 P HA 0.055 nan 4.420 nan 0.000 0.252 1490 P C -2.188 175.089 177.300 -0.038 0.000 1.147 1490 P CA -0.423 62.460 63.100 -0.362 0.000 0.779 1490 P CB -0.172 31.382 31.700 -0.243 0.000 0.733 1491 P HA 0.017 nan 4.420 nan 0.000 0.281 1491 P C -0.205 177.303 177.300 0.348 0.000 1.274 1491 P CA -0.030 63.135 63.100 0.107 0.000 0.794 1491 P CB 0.494 32.227 31.700 0.054 0.000 1.201 1492 C N -1.340 118.102 119.300 0.237 0.000 2.531 1492 C HA 0.851 5.311 4.460 0.000 0.000 0.369 1492 C C 0.138 175.211 174.990 0.139 0.000 1.258 1492 C CA -0.211 59.000 59.018 0.322 0.000 1.876 1492 C CB 1.179 29.034 27.740 0.191 0.000 2.256 1492 C HN 0.563 nan 8.230 nan 0.000 0.510 1493 A N 0.725 123.620 122.820 0.125 0.000 2.355 1493 A HA 0.713 5.033 4.320 0.000 0.000 0.317 1493 A C -0.557 177.022 177.584 -0.008 0.000 1.094 1493 A CA -0.521 51.441 52.037 -0.125 0.000 0.764 1493 A CB 0.600 19.351 19.000 -0.416 0.000 1.230 1493 A HN 0.864 nan 8.150 nan 0.000 0.448 1494 R N 2.156 122.620 120.500 -0.059 0.000 2.296 1494 R HA 0.000 4.340 4.340 0.000 0.000 0.323 1494 R C 0.959 177.273 176.300 0.024 0.000 1.067 1494 R CA -0.334 55.765 56.100 -0.000 0.000 0.946 1494 R CB 0.521 30.794 30.300 -0.045 0.000 0.991 1494 R HN 0.976 nan 8.270 nan 0.000 0.448 1495 W N 4.086 125.342 121.300 -0.074 0.000 2.290 1495 W HA -0.365 4.295 4.660 0.000 0.000 0.311 1495 W C 1.231 177.695 176.519 -0.092 0.000 1.238 1495 W CA 1.919 59.221 57.345 -0.072 0.000 1.255 1495 W CB -0.020 29.412 29.460 -0.048 0.000 1.145 1495 W HN 0.721 nan 8.180 nan 0.000 0.506 1496 A N 0.203 122.885 122.820 -0.230 0.000 2.032 1496 A HA -0.322 3.998 4.320 0.000 0.000 0.221 1496 A C 1.935 179.261 177.584 -0.430 0.000 1.165 1496 A CA 2.240 54.066 52.037 -0.352 0.000 0.645 1496 A CB -0.943 17.962 19.000 -0.160 0.000 0.807 1496 A HN 0.667 nan 8.150 nan 0.000 0.453 1497 Q N -1.170 118.412 119.800 -0.363 0.000 2.200 1497 Q HA 0.145 4.485 4.340 0.000 0.000 0.197 1497 Q C 2.031 177.745 176.000 -0.476 0.000 0.953 1497 Q CA 0.477 56.048 55.803 -0.386 0.000 0.851 1497 Q CB -0.150 28.413 28.738 -0.291 0.000 0.938 1497 Q HN 0.597 nan 8.270 nan 0.000 0.488 1498 L N 1.082 122.064 121.223 -0.402 0.000 2.083 1498 L HA -0.169 4.171 4.340 0.000 0.000 0.209 1498 L C 2.443 179.030 176.870 -0.472 0.000 1.083 1498 L CA 1.858 56.505 54.840 -0.322 0.000 0.752 1498 L CB -0.441 41.620 42.059 0.004 0.000 0.899 1498 L HN 0.422 nan 8.230 nan 0.000 0.433 1499 S N -1.101 113.984 115.700 -1.025 0.000 2.359 1499 S HA -0.294 4.176 4.470 0.000 0.000 0.224 1499 S C 1.756 175.978 174.600 -0.630 0.000 1.035 1499 S CA 1.491 59.001 58.200 -1.150 0.000 1.018 1499 S CB -0.486 61.647 63.200 -1.778 0.000 0.876 1499 S HN 0.509 nan 8.310 nan 0.000 0.448 1500 E N 0.831 120.611 120.200 -0.701 0.000 2.031 1500 E HA -0.118 4.232 4.350 0.000 0.000 0.193 1500 E C 2.082 177.990 176.600 -1.153 0.000 0.994 1500 E CA 1.502 57.396 56.400 -0.844 0.000 0.800 1500 E CB -0.299 28.856 29.700 -0.909 0.000 0.752 1500 E HN 0.409 nan 8.360 nan 0.000 0.447 1501 V N 1.358 120.669 119.914 -1.005 0.000 2.380 1501 V HA -0.306 3.814 4.120 0.000 0.000 0.251 1501 V C 2.392 178.475 176.094 -0.020 0.000 1.063 1501 V CA 1.613 63.585 62.300 -0.547 0.000 1.055 1501 V CB -0.479 31.172 31.823 -0.286 0.000 0.657 1501 V HN 0.317 nan 8.190 nan 0.000 0.455 1502 L N -0.145 121.086 121.223 0.013 0.000 2.027 1502 L HA -0.164 4.176 4.340 0.000 0.000 0.206 1502 L C 2.779 179.872 176.870 0.371 0.000 1.074 1502 L CA 1.858 56.888 54.840 0.316 0.000 0.745 1502 L CB -0.715 41.546 42.059 0.336 0.000 0.898 1502 L HN 0.446 nan 8.230 nan 0.000 0.433 1503 S N -0.524 115.265 115.700 0.148 0.000 2.368 1503 S HA -0.252 4.218 4.470 0.000 0.000 0.226 1503 S C 1.854 176.743 174.600 0.482 0.000 1.044 1503 S CA 1.628 59.969 58.200 0.234 0.000 1.062 1503 S CB -0.458 62.797 63.200 0.092 0.000 0.931 1503 S HN 0.407 nan 8.310 nan 0.000 0.440 1504 W N 1.714 123.149 121.300 0.224 0.000 2.305 1504 W HA -0.085 4.575 4.660 0.000 0.000 0.308 1504 W C 2.644 179.318 176.519 0.260 0.000 1.226 1504 W CA 0.968 58.438 57.345 0.207 0.000 1.253 1504 W CB -1.528 28.024 29.460 0.153 0.000 1.146 1504 W HN 0.420 nan 8.180 nan 0.000 0.507 1505 Q N -1.072 119.073 119.800 0.576 0.000 2.197 1505 Q HA -0.163 4.177 4.340 0.000 0.000 0.207 1505 Q C 2.115 178.242 176.000 0.210 0.000 0.984 1505 Q CA 1.436 57.498 55.803 0.432 0.000 0.869 1505 Q CB -1.166 27.898 28.738 0.543 0.000 0.906 1505 Q HN 0.331 nan 8.270 nan 0.000 0.426 1506 F N 0.595 120.683 119.950 0.230 0.000 2.147 1506 F HA -0.035 4.492 4.527 0.000 0.000 0.291 1506 F C 2.043 177.976 175.800 0.221 0.000 1.093 1506 F CA 0.993 59.093 58.000 0.168 0.000 1.263 1506 F CB -0.525 38.620 39.000 0.242 0.000 1.036 1506 F HN -0.099 nan 8.300 nan 0.000 0.481 1507 S N -0.605 115.377 115.700 0.470 0.000 2.981 1507 S HA 0.001 4.471 4.470 0.000 0.000 0.235 1507 S C 0.983 175.704 174.600 0.201 0.000 0.983 1507 S CA 0.564 58.965 58.200 0.334 0.000 1.051 1507 S CB -1.013 62.380 63.200 0.321 0.000 0.814 1507 S HN 0.395 nan 8.310 nan 0.000 0.518 1508 S N -1.897 113.897 115.700 0.158 0.000 2.700 1508 S HA 0.212 4.682 4.470 0.000 0.000 0.272 1508 S C 0.731 175.340 174.600 0.015 0.000 1.052 1508 S CA 0.040 58.281 58.200 0.068 0.000 1.317 1508 S CB 0.029 63.265 63.200 0.060 0.000 1.212 1508 S HN 0.299 nan 8.310 nan 0.000 0.675 1509 V N 2.238 122.155 119.914 0.004 0.000 3.570 1509 V HA 0.335 4.455 4.120 0.000 0.000 0.257 1509 V C 1.173 177.263 176.094 -0.008 0.000 1.272 1509 V CA 1.235 63.497 62.300 -0.063 0.000 1.079 1509 V CB 0.494 32.211 31.823 -0.177 0.000 0.829 1509 V HN 0.814 nan 8.190 nan 0.000 0.454 1510 T N -3.076 111.533 114.554 0.092 0.000 2.831 1510 T HA 0.377 4.727 4.350 0.000 0.000 0.287 1510 T C 0.249 175.094 174.700 0.241 0.000 1.070 1510 T CA -0.643 61.586 62.100 0.216 0.000 1.010 1510 T CB 2.192 71.324 68.868 0.441 0.000 1.264 1510 T HN -0.015 nan 8.240 nan 0.000 0.532 1511 K N 0.180 120.735 120.400 0.258 0.000 2.444 1511 K HA 0.175 4.495 4.320 0.000 0.000 0.193 1511 K C 0.708 177.422 176.600 0.192 0.000 1.024 1511 K CA -0.013 56.381 56.287 0.178 0.000 1.077 1511 K CB 0.098 32.671 32.500 0.122 0.000 0.833 1511 K HN 0.551 nan 8.250 nan 0.000 0.517 1512 R N -1.068 119.622 120.500 0.317 0.000 2.626 1512 R HA 0.427 4.767 4.340 0.000 0.000 0.274 1512 R C -0.258 176.342 176.300 0.500 0.000 1.031 1512 R CA -0.854 55.407 56.100 0.269 0.000 0.898 1512 R CB 1.138 31.454 30.300 0.026 0.000 1.222 1512 R HN -0.050 nan 8.270 nan 0.000 0.455 1513 G N 2.072 111.093 108.800 0.369 0.000 2.630 1513 G HA2 0.446 4.406 3.960 0.000 0.000 0.223 1513 G HA3 0.446 4.406 3.960 0.000 0.000 0.223 1513 G C -0.549 174.565 174.900 0.357 0.000 1.434 1513 G CA -1.082 44.278 45.100 0.433 0.000 1.057 1513 G HN 0.361 nan 8.290 nan 0.000 0.570 1514 L N 0.660 122.008 121.223 0.208 0.000 2.344 1514 L HA 0.384 4.724 4.340 0.000 0.000 0.272 1514 L C -0.103 176.820 176.870 0.087 0.000 1.035 1514 L CA -0.958 53.943 54.840 0.100 0.000 0.807 1514 L CB 1.868 43.893 42.059 -0.057 0.000 1.237 1514 L HN 0.759 nan 8.230 nan 0.000 0.442 1515 N N 0.133 118.884 118.700 0.085 0.000 2.592 1515 N HA 0.366 5.106 4.740 0.000 0.000 0.292 1515 N C 0.576 176.127 175.510 0.069 0.000 1.260 1515 N CA -0.974 52.115 53.050 0.064 0.000 0.910 1515 N CB 0.520 39.038 38.487 0.052 0.000 1.257 1515 N HN 0.188 nan 8.380 nan 0.000 0.569 1516 V N 0.012 119.961 119.914 0.058 0.000 2.220 1516 V HA -0.333 3.787 4.120 0.000 0.000 0.250 1516 V C 1.465 177.616 176.094 0.094 0.000 1.056 1516 V CA 2.377 64.717 62.300 0.067 0.000 1.016 1516 V CB -0.819 31.036 31.823 0.053 0.000 0.639 1516 V HN 0.682 nan 8.190 nan 0.000 0.446 1517 D N -0.252 120.199 120.400 0.084 0.000 2.106 1517 D HA -0.230 4.410 4.640 0.000 0.000 0.191 1517 D C 2.324 178.706 176.300 0.136 0.000 0.997 1517 D CA 1.820 55.876 54.000 0.093 0.000 0.834 1517 D CB -0.338 40.502 40.800 0.067 0.000 0.956 1517 D HN 0.611 nan 8.370 nan 0.000 0.448 1518 Q N 0.261 120.158 119.800 0.161 0.000 2.061 1518 Q HA -0.104 4.236 4.340 0.000 0.000 0.204 1518 Q C 2.666 178.760 176.000 0.157 0.000 0.984 1518 Q CA 0.801 56.740 55.803 0.226 0.000 0.846 1518 Q CB -0.181 28.724 28.738 0.279 0.000 0.902 1518 Q HN 0.306 nan 8.270 nan 0.000 0.421 1519 L N 0.860 122.174 121.223 0.151 0.000 2.012 1519 L HA -0.236 4.104 4.340 0.000 0.000 0.210 1519 L C 2.127 179.210 176.870 0.355 0.000 1.073 1519 L CA 0.936 55.928 54.840 0.252 0.000 0.748 1519 L CB -0.635 41.532 42.059 0.181 0.000 0.891 1519 L HN 0.292 nan 8.230 nan 0.000 0.431 1520 N N -0.121 118.725 118.700 0.244 0.000 2.061 1520 N HA -0.264 4.476 4.740 0.000 0.000 0.193 1520 N C 1.857 177.424 175.510 0.095 0.000 1.030 1520 N CA 1.667 54.822 53.050 0.174 0.000 0.856 1520 N CB -0.391 38.168 38.487 0.119 0.000 1.023 1520 N HN 0.304 nan 8.380 nan 0.000 0.424 1521 M N 1.088 120.763 119.600 0.126 0.000 2.149 1521 M HA -0.111 4.369 4.480 0.000 0.000 0.261 1521 M C 1.829 178.198 176.300 0.114 0.000 1.064 1521 M CA 1.301 56.676 55.300 0.126 0.000 1.102 1521 M CB -0.423 32.304 32.600 0.211 0.000 1.369 1521 M HN 0.109 nan 8.290 nan 0.000 0.408 1522 L N -0.841 120.473 121.223 0.151 0.000 2.109 1522 L HA -0.062 4.278 4.340 0.000 0.000 0.207 1522 L C 2.599 179.372 176.870 -0.161 0.000 1.086 1522 L CA 1.066 56.011 54.840 0.176 0.000 0.760 1522 L CB -1.211 41.042 42.059 0.324 0.000 0.910 1522 L HN 0.409 nan 8.230 nan 0.000 0.437 1523 G N -0.410 108.142 108.800 -0.413 0.000 2.408 1523 G HA2 -0.275 3.685 3.960 0.000 0.000 0.217 1523 G HA3 -0.275 3.685 3.960 0.000 0.000 0.217 1523 G C 1.428 175.950 174.900 -0.630 0.000 1.150 1523 G CA 0.549 44.953 45.100 -1.160 0.000 0.776 1523 G HN 0.445 nan 8.290 nan 0.000 0.542 1524 E N 0.160 120.167 120.200 -0.322 0.000 2.338 1524 E HA -0.078 4.272 4.350 0.000 0.000 0.197 1524 E C 2.179 178.665 176.600 -0.189 0.000 1.007 1524 E CA 0.825 57.098 56.400 -0.211 0.000 0.849 1524 E CB -0.077 29.559 29.700 -0.106 0.000 0.774 1524 E HN 0.490 nan 8.360 nan 0.000 0.506 1525 K N -0.089 120.195 120.400 -0.194 0.000 2.128 1525 K HA 0.017 4.337 4.320 0.000 0.000 0.202 1525 K C 2.107 178.551 176.600 -0.260 0.000 1.050 1525 K CA 0.315 56.508 56.287 -0.156 0.000 0.966 1525 K CB 0.164 32.652 32.500 -0.020 0.000 0.759 1525 K HN 0.110 nan 8.250 nan 0.000 0.454 1526 L N 0.750 121.726 121.223 -0.411 0.000 1.993 1526 L HA -0.114 4.226 4.340 0.000 0.000 0.206 1526 L C 2.141 178.817 176.870 -0.323 0.000 1.074 1526 L CA 0.955 55.526 54.840 -0.447 0.000 0.746 1526 L CB -0.389 41.320 42.059 -0.583 0.000 0.896 1526 L HN 0.161 nan 8.230 nan 0.000 0.435 1527 L N -1.415 119.578 121.223 -0.383 0.000 1.958 1527 L HA 0.226 4.566 4.340 0.000 0.000 0.215 1527 L C 0.860 177.604 176.870 -0.209 0.000 1.146 1527 L CA 0.700 55.377 54.840 -0.271 0.000 1.182 1527 L CB -0.616 41.253 42.059 -0.318 0.000 1.060 1527 L HN 0.300 nan 8.230 nan 0.000 0.623 1528 G N -2.516 106.165 108.800 -0.198 0.000 2.488 1528 G HA2 0.358 4.318 3.960 0.000 0.000 0.301 1528 G HA3 0.358 4.318 3.960 0.000 0.000 0.301 1528 G C -2.957 171.870 174.900 -0.121 0.000 1.339 1528 G CA -0.803 44.213 45.100 -0.140 0.000 0.803 1528 G HN -0.037 nan 8.290 nan 0.000 0.482 1529 P HA 0.078 nan 4.420 nan 0.000 0.257 1529 P C -0.019 177.248 177.300 -0.056 0.000 1.162 1529 P CA 0.534 63.597 63.100 -0.062 0.000 0.762 1529 P CB 0.150 31.823 31.700 -0.045 0.000 0.753 1530 N N 0.655 119.326 118.700 -0.048 0.000 2.681 1530 N HA -0.182 4.558 4.740 0.000 0.000 0.259 1530 N C -0.151 175.332 175.510 -0.044 0.000 1.066 1530 N CA 0.869 53.901 53.050 -0.030 0.000 0.717 1530 N CB -0.713 37.765 38.487 -0.014 0.000 0.885 1530 N HN 0.489 nan 8.380 nan 0.000 0.547 1531 A N 0.371 123.140 122.820 -0.084 0.000 2.406 1531 A HA 0.460 4.780 4.320 0.000 0.000 0.243 1531 A C 0.805 178.379 177.584 -0.017 0.000 1.082 1531 A CA 0.251 52.218 52.037 -0.115 0.000 0.786 1531 A CB 0.700 19.516 19.000 -0.307 0.000 1.029 1531 A HN 0.441 nan 8.150 nan 0.000 0.495 1532 S N 0.450 116.157 115.700 0.012 0.000 2.525 1532 S HA 0.517 4.987 4.470 0.000 0.000 0.290 1532 S C -1.985 172.724 174.600 0.181 0.000 1.152 1532 S CA -1.472 56.775 58.200 0.078 0.000 1.072 1532 S CB 0.942 64.169 63.200 0.044 0.000 1.027 1532 S HN 0.392 nan 8.310 nan 0.000 0.500 1533 P HA 0.062 nan 4.420 nan 0.000 0.231 1533 P C 0.002 177.371 177.300 0.115 0.000 1.158 1533 P CA 0.827 64.030 63.100 0.171 0.000 0.763 1533 P CB 0.132 31.874 31.700 0.070 0.000 0.805 1534 D N -2.050 118.408 120.400 0.097 0.000 2.469 1534 D HA 0.086 4.726 4.640 0.000 0.000 0.213 1534 D C 1.015 177.355 176.300 0.067 0.000 1.135 1534 D CA 0.153 54.190 54.000 0.061 0.000 0.834 1534 D CB 0.353 41.172 40.800 0.033 0.000 1.009 1534 D HN 0.029 nan 8.370 nan 0.000 0.507 1535 G N 2.023 110.877 108.800 0.089 0.000 2.605 1535 G HA2 0.275 4.235 3.960 0.000 0.000 0.301 1535 G HA3 0.275 4.235 3.960 0.000 0.000 0.301 1535 G C 0.709 175.652 174.900 0.072 0.000 0.881 1535 G CA -0.321 44.811 45.100 0.053 0.000 1.553 1535 G HN 0.134 nan 8.290 nan 0.000 0.483 1536 L N 1.422 122.683 121.223 0.064 0.000 2.605 1536 L HA -0.044 4.296 4.340 0.000 0.000 0.296 1536 L C 0.051 176.979 176.870 0.097 0.000 1.255 1536 L CA 0.488 55.379 54.840 0.085 0.000 0.879 1536 L CB 0.141 42.244 42.059 0.072 0.000 1.124 1536 L HN 0.315 nan 8.230 nan 0.000 0.507 1537 I N 3.775 124.443 120.570 0.164 0.000 2.418 1537 I HA 0.362 4.532 4.170 0.000 0.000 0.287 1537 I C -2.273 174.019 176.117 0.292 0.000 1.008 1537 I CA -1.760 59.648 61.300 0.180 0.000 1.104 1537 I CB 1.643 39.774 38.000 0.219 0.000 1.264 1537 I HN 0.306 nan 8.210 nan 0.000 0.438 1538 P HA -0.048 nan 4.420 nan 0.000 0.271 1538 P C 0.485 177.832 177.300 0.078 0.000 1.216 1538 P CA -0.316 62.893 63.100 0.181 0.000 0.776 1538 P CB 0.573 32.320 31.700 0.078 0.000 0.881 1539 W N 3.662 124.845 121.300 -0.194 0.000 2.387 1539 W HA -0.167 4.493 4.660 0.000 0.000 0.272 1539 W C 0.304 176.603 176.519 -0.367 0.000 1.224 1539 W CA 1.849 58.704 57.345 -0.816 0.000 1.210 1539 W CB -1.139 27.732 29.460 -0.982 0.000 1.125 1539 W HN 0.217 nan 8.180 nan 0.000 0.572 1540 T N 0.937 115.327 114.554 -0.274 0.000 2.812 1540 T HA -0.191 4.159 4.350 0.000 0.000 0.264 1540 T C 1.884 176.421 174.700 -0.271 0.000 1.042 1540 T CA 1.748 63.677 62.100 -0.285 0.000 1.140 1540 T CB -0.427 68.397 68.868 -0.073 0.000 0.870 1540 T HN 0.196 nan 8.240 nan 0.000 0.445 1541 R N -0.055 120.347 120.500 -0.164 0.000 2.096 1541 R HA -0.041 4.299 4.340 0.000 0.000 0.235 1541 R C 2.152 178.389 176.300 -0.105 0.000 1.127 1541 R CA 1.103 57.133 56.100 -0.117 0.000 0.968 1541 R CB -0.386 29.873 30.300 -0.067 0.000 0.861 1541 R HN 0.392 nan 8.270 nan 0.000 0.440 1542 F N -0.571 119.201 119.950 -0.297 0.000 2.128 1542 F HA -0.142 4.385 4.527 0.000 0.000 0.295 1542 F C 2.123 177.826 175.800 -0.162 0.000 1.100 1542 F CA 1.561 59.441 58.000 -0.199 0.000 1.260 1542 F CB -0.413 38.416 39.000 -0.284 0.000 1.009 1542 F HN 0.137 nan 8.300 nan 0.000 0.476 1543 C N -0.743 118.182 119.300 -0.625 0.000 2.937 1543 C HA 0.258 4.718 4.460 0.000 0.000 0.426 1543 C C 2.424 177.162 174.990 -0.420 0.000 1.321 1543 C CA 0.167 58.803 59.018 -0.637 0.000 2.082 1543 C CB -0.959 26.206 27.740 -0.958 0.000 2.834 1543 C HN 0.520 nan 8.230 nan 0.000 0.593 1544 K N 0.767 120.900 120.400 -0.445 0.000 2.108 1544 K HA 0.107 4.427 4.320 0.000 0.000 0.204 1544 K C 0.782 177.284 176.600 -0.164 0.000 1.036 1544 K CA 0.306 56.447 56.287 -0.245 0.000 0.965 1544 K CB -0.266 32.110 32.500 -0.206 0.000 0.804 1544 K HN 0.285 nan 8.250 nan 0.000 0.454 1545 E N 1.963 122.060 120.200 -0.171 0.000 2.534 1545 E HA -0.169 4.181 4.350 0.000 0.000 0.264 1545 E C -0.932 175.587 176.600 -0.135 0.000 0.981 1545 E CA 0.540 56.861 56.400 -0.132 0.000 0.948 1545 E CB 0.369 29.993 29.700 -0.127 0.000 0.934 1545 E HN 0.245 nan 8.360 nan 0.000 0.459 1546 N N 5.257 123.877 118.700 -0.132 0.000 2.807 1546 N HA 0.075 4.815 4.740 0.000 0.000 0.259 1546 N C 0.627 176.008 175.510 -0.216 0.000 1.149 1546 N CA -0.358 52.588 53.050 -0.173 0.000 1.042 1546 N CB 0.010 38.412 38.487 -0.142 0.000 1.367 1546 N HN 0.514 nan 8.380 nan 0.000 0.516 1547 I N 2.611 123.032 120.570 -0.248 0.000 3.227 1547 I HA -0.373 3.797 4.170 0.000 0.000 0.332 1547 I C 0.911 176.870 176.117 -0.263 0.000 1.174 1547 I CA 0.128 61.276 61.300 -0.252 0.000 1.478 1547 I CB 0.424 38.253 38.000 -0.285 0.000 1.281 1547 I HN 0.710 nan 8.210 nan 0.000 0.542 1548 N N 4.362 122.938 118.700 -0.207 0.000 1.643 1548 N HA -0.297 4.443 4.740 0.000 0.000 0.123 1548 N C -0.108 175.297 175.510 -0.176 0.000 0.476 1548 N CA 2.605 55.550 53.050 -0.175 0.000 0.796 1548 N CB -0.547 37.843 38.487 -0.162 0.000 0.712 1548 N HN 0.642 nan 8.380 nan 0.000 1.360 1549 D N 0.691 120.960 120.400 -0.217 0.000 2.552 1549 D HA 0.406 5.046 4.640 0.000 0.000 0.285 1549 D C -0.209 175.946 176.300 -0.240 0.000 1.206 1549 D CA -0.205 53.684 54.000 -0.185 0.000 0.826 1549 D CB 0.869 41.592 40.800 -0.128 0.000 1.179 1549 D HN 0.179 nan 8.370 nan 0.000 0.508 1550 K N 0.058 120.276 120.400 -0.304 0.000 2.308 1550 K HA 0.388 4.708 4.320 0.000 0.000 0.268 1550 K C -0.045 176.420 176.600 -0.224 0.000 0.992 1550 K CA -0.697 55.370 56.287 -0.367 0.000 0.836 1550 K CB 0.607 32.471 32.500 -1.059 0.000 1.507 1550 K HN -0.086 nan 8.250 nan 0.000 0.394 1551 N N -0.054 118.589 118.700 -0.095 0.000 2.299 1551 N HA 0.284 5.024 4.740 0.000 0.000 0.246 1551 N C -1.625 173.973 175.510 0.147 0.000 1.254 1551 N CA -0.346 52.729 53.050 0.040 0.000 0.879 1551 N CB 0.261 38.813 38.487 0.109 0.000 1.214 1551 N HN 0.404 nan 8.380 nan 0.000 0.510 1552 F N -2.411 117.505 119.950 -0.057 0.000 2.686 1552 F HA 0.794 5.321 4.527 0.000 0.000 0.311 1552 F C -3.155 172.605 175.800 -0.067 0.000 1.128 1552 F CA -2.382 55.587 58.000 -0.053 0.000 0.946 1552 F CB 0.567 39.548 39.000 -0.033 0.000 1.336 1552 F HN -0.250 nan 8.300 nan 0.000 0.457 1553 P HA 0.307 nan 4.420 nan 0.000 0.281 1553 P C 0.244 177.627 177.300 0.138 0.000 1.264 1553 P CA -0.358 62.751 63.100 0.014 0.000 0.824 1553 P CB 0.899 32.593 31.700 -0.011 0.000 1.092 1554 F N 0.634 120.545 119.950 -0.065 0.000 2.051 1554 F HA -0.147 4.380 4.527 0.000 0.000 0.296 1554 F C 2.044 177.931 175.800 0.145 0.000 1.122 1554 F CA 1.392 59.426 58.000 0.056 0.000 1.201 1554 F CB -0.732 38.263 39.000 -0.009 0.000 0.978 1554 F HN 0.372 nan 8.300 nan 0.000 0.472 1555 W N 1.363 122.495 121.300 -0.280 0.000 2.333 1555 W HA -0.249 4.411 4.660 0.000 0.000 0.316 1555 W C 2.044 178.452 176.519 -0.184 0.000 1.215 1555 W CA 1.828 58.931 57.345 -0.405 0.000 1.278 1555 W CB -0.762 28.287 29.460 -0.685 0.000 1.154 1555 W HN 0.106 nan 8.180 nan 0.000 0.486 1556 L N -0.282 120.785 121.223 -0.260 0.000 2.129 1556 L HA -0.245 4.095 4.340 0.000 0.000 0.212 1556 L C 2.315 179.008 176.870 -0.295 0.000 1.087 1556 L CA 2.068 56.742 54.840 -0.277 0.000 0.757 1556 L CB -1.011 41.026 42.059 -0.036 0.000 0.896 1556 L HN 0.195 nan 8.230 nan 0.000 0.434 1557 W N 0.671 121.759 121.300 -0.352 0.000 2.413 1557 W HA -0.151 4.509 4.660 0.000 0.000 0.315 1557 W C 2.369 178.609 176.519 -0.466 0.000 1.186 1557 W CA 0.922 58.078 57.345 -0.315 0.000 1.326 1557 W CB -0.168 29.288 29.460 -0.007 0.000 1.153 1557 W HN -0.145 nan 8.180 nan 0.000 0.489 1558 I N 1.262 121.422 120.570 -0.683 0.000 2.194 1558 I HA -0.287 3.883 4.170 0.000 0.000 0.246 1558 I C 2.456 178.014 176.117 -0.932 0.000 1.093 1558 I CA 1.965 62.720 61.300 -0.908 0.000 1.355 1558 I CB -1.336 36.252 38.000 -0.688 0.000 1.046 1558 I HN 0.188 nan 8.210 nan 0.000 0.413 1559 E N 1.382 120.885 120.200 -1.161 0.000 2.005 1559 E HA -0.237 4.113 4.350 0.000 0.000 0.198 1559 E C 2.255 178.437 176.600 -0.696 0.000 1.010 1559 E CA 2.229 57.990 56.400 -1.065 0.000 0.825 1559 E CB -0.234 28.809 29.700 -1.095 0.000 0.769 1559 E HN 0.504 nan 8.360 nan 0.000 0.456 1560 S N -0.015 115.332 115.700 -0.589 0.000 2.488 1560 S HA -0.134 4.336 4.470 0.000 0.000 0.246 1560 S C 2.166 176.442 174.600 -0.540 0.000 0.992 1560 S CA 1.037 58.954 58.200 -0.472 0.000 0.963 1560 S CB -0.535 62.431 63.200 -0.391 0.000 0.754 1560 S HN 0.298 nan 8.310 nan 0.000 0.519 1561 I N 0.514 120.653 120.570 -0.719 0.000 2.277 1561 I HA -0.037 4.133 4.170 0.000 0.000 0.243 1561 I C 2.295 177.966 176.117 -0.744 0.000 1.094 1561 I CA 0.816 61.610 61.300 -0.844 0.000 1.393 1561 I CB -0.273 37.051 38.000 -1.127 0.000 1.078 1561 I HN 0.278 nan 8.210 nan 0.000 0.417 1562 L N 0.368 121.138 121.223 -0.755 0.000 2.127 1562 L HA -0.224 4.116 4.340 0.000 0.000 0.211 1562 L C 2.607 179.183 176.870 -0.489 0.000 1.089 1562 L CA 1.168 55.566 54.840 -0.737 0.000 0.757 1562 L CB -0.522 41.069 42.059 -0.781 0.000 0.899 1562 L HN 0.250 nan 8.230 nan 0.000 0.434 1563 E N 0.116 120.063 120.200 -0.422 0.000 2.028 1563 E HA -0.225 4.125 4.350 0.000 0.000 0.191 1563 E C 2.154 178.615 176.600 -0.233 0.000 0.988 1563 E CA 1.262 57.489 56.400 -0.289 0.000 0.799 1563 E CB -0.293 29.253 29.700 -0.255 0.000 0.755 1563 E HN 0.265 nan 8.360 nan 0.000 0.447 1564 L N 1.285 122.357 121.223 -0.251 0.000 1.989 1564 L HA -0.180 4.160 4.340 0.000 0.000 0.211 1564 L C 2.401 179.206 176.870 -0.109 0.000 1.071 1564 L CA 1.554 56.310 54.840 -0.140 0.000 0.749 1564 L CB -0.664 41.276 42.059 -0.197 0.000 0.890 1564 L HN 0.139 nan 8.230 nan 0.000 0.431 1565 I N -0.638 119.794 120.570 -0.229 0.000 2.118 1565 I HA -0.400 3.770 4.170 0.000 0.000 0.241 1565 I C 2.614 178.660 176.117 -0.118 0.000 1.070 1565 I CA 1.839 63.039 61.300 -0.167 0.000 1.327 1565 I CB -0.529 37.232 38.000 -0.399 0.000 1.034 1565 I HN 0.346 nan 8.210 nan 0.000 0.405 1566 K N 1.444 121.731 120.400 -0.189 0.000 1.978 1566 K HA -0.201 4.119 4.320 0.000 0.000 0.214 1566 K C 1.774 178.295 176.600 -0.130 0.000 1.049 1566 K CA 1.737 57.934 56.287 -0.150 0.000 0.939 1566 K CB -0.025 32.365 32.500 -0.183 0.000 0.721 1566 K HN 0.221 nan 8.250 nan 0.000 0.441 1567 K N -0.845 119.454 120.400 -0.168 0.000 2.505 1567 K HA -0.011 4.309 4.320 0.000 0.000 0.192 1567 K C 0.450 176.750 176.600 -0.501 0.000 1.025 1567 K CA 0.374 56.479 56.287 -0.303 0.000 1.086 1567 K CB 0.309 32.601 32.500 -0.346 0.000 0.840 1567 K HN 0.344 nan 8.250 nan 0.000 0.514 1568 H N -1.459 117.584 119.070 -0.044 0.000 3.780 1568 H HA 0.165 4.721 4.556 0.000 0.000 0.266 1568 H C 0.428 175.762 175.328 0.010 0.000 1.144 1568 H CA 0.143 56.180 56.048 -0.018 0.000 1.176 1568 H CB 0.778 30.518 29.762 -0.036 0.000 1.690 1568 H HN -0.012 nan 8.280 nan 0.000 0.835 1569 L N 0.571 121.867 121.223 0.121 0.000 3.606 1569 L HA 0.174 4.514 4.340 0.000 0.000 0.336 1569 L C 1.539 178.502 176.870 0.156 0.000 1.300 1569 L CA 0.148 55.073 54.840 0.142 0.000 1.050 1569 L CB 0.762 42.933 42.059 0.187 0.000 1.439 1569 L HN -0.051 nan 8.230 nan 0.000 0.621 1570 L N 1.907 123.191 121.223 0.101 0.000 1.963 1570 L HA -0.171 4.169 4.340 0.000 0.000 0.220 1570 L C -0.031 176.920 176.870 0.134 0.000 1.076 1570 L CA 2.360 57.282 54.840 0.136 0.000 0.772 1570 L CB -1.036 41.065 42.059 0.069 0.000 0.892 1570 L HN 0.245 nan 8.230 nan 0.000 0.435 1571 P HA -0.200 nan 4.420 nan 0.000 0.214 1571 P C 1.796 179.007 177.300 -0.148 0.000 1.163 1571 P CA 1.591 64.648 63.100 -0.072 0.000 0.883 1571 P CB -0.046 31.540 31.700 -0.191 0.000 0.788 1572 L N -1.245 119.819 121.223 -0.265 0.000 2.043 1572 L HA -0.133 4.207 4.340 0.000 0.000 0.212 1572 L C 2.803 179.738 176.870 0.108 0.000 1.075 1572 L CA 1.809 56.593 54.840 -0.094 0.000 0.752 1572 L CB -2.027 40.090 42.059 0.096 0.000 0.891 1572 L HN 0.140 nan 8.230 nan 0.000 0.432 1573 W N 0.755 122.088 121.300 0.055 0.000 2.379 1573 W HA -0.175 4.485 4.660 0.000 0.000 0.307 1573 W C 2.205 178.789 176.519 0.108 0.000 1.200 1573 W CA 1.424 58.840 57.345 0.118 0.000 1.297 1573 W CB -0.272 29.288 29.460 0.167 0.000 1.140 1573 W HN 0.283 nan 8.180 nan 0.000 0.507 1574 N N 0.841 119.588 118.700 0.078 0.000 2.120 1574 N HA -0.172 4.568 4.740 0.000 0.000 0.188 1574 N C 0.876 176.342 175.510 -0.074 0.000 1.024 1574 N CA 1.780 54.834 53.050 0.008 0.000 0.852 1574 N CB -0.880 37.676 38.487 0.115 0.000 1.003 1574 N HN 0.168 nan 8.380 nan 0.000 0.424 1575 D N 0.237 120.622 120.400 -0.025 0.000 2.352 1575 D HA 0.054 4.694 4.640 0.000 0.000 0.232 1575 D C 1.037 177.290 176.300 -0.078 0.000 1.055 1575 D CA 0.311 54.305 54.000 -0.010 0.000 0.891 1575 D CB -0.333 40.522 40.800 0.091 0.000 0.897 1575 D HN 0.347 nan 8.370 nan 0.000 0.529 1576 G N 0.598 109.285 108.800 -0.189 0.000 2.187 1576 G HA2 -0.371 3.589 3.960 0.000 0.000 0.261 1576 G HA3 -0.371 3.589 3.960 0.000 0.000 0.261 1576 G C 1.058 175.872 174.900 -0.143 0.000 1.000 1576 G CA 0.329 45.287 45.100 -0.237 0.000 0.718 1576 G HN 0.464 nan 8.290 nan 0.000 0.519 1577 C N 0.345 119.599 119.300 -0.078 0.000 2.509 1577 C HA 0.521 4.981 4.460 0.000 0.000 0.301 1577 C C 1.030 176.074 174.990 0.090 0.000 1.317 1577 C CA -0.131 58.867 59.018 -0.034 0.000 1.667 1577 C CB -1.462 26.222 27.740 -0.093 0.000 1.717 1577 C HN 0.454 nan 8.230 nan 0.000 0.595 1578 I N 0.195 120.781 120.570 0.026 0.000 2.478 1578 I HA 0.175 4.345 4.170 0.000 0.000 0.287 1578 I C 0.726 176.829 176.117 -0.023 0.000 1.042 1578 I CA -0.225 61.118 61.300 0.070 0.000 1.067 1578 I CB 1.698 39.820 38.000 0.203 0.000 1.233 1578 I HN 0.088 nan 8.210 nan 0.000 0.431 1579 M N 3.904 123.490 119.600 -0.022 0.000 2.200 1579 M HA 0.051 4.531 4.480 0.000 0.000 0.265 1579 M C 1.725 178.020 176.300 -0.009 0.000 1.066 1579 M CA 2.244 57.525 55.300 -0.032 0.000 1.127 1579 M CB -0.020 32.544 32.600 -0.060 0.000 1.379 1579 M HN 0.954 nan 8.290 nan 0.000 0.420 1580 G N 0.123 108.805 108.800 -0.197 0.000 4.300 1580 G HA2 -0.343 3.617 3.960 0.000 0.000 0.222 1580 G HA3 -0.343 3.617 3.960 0.000 0.000 0.222 1580 G C 0.141 174.731 174.900 -0.516 0.000 1.344 1580 G CA 0.735 45.519 45.100 -0.527 0.000 1.014 1580 G HN 0.475 nan 8.290 nan 0.000 0.641 1581 F N 1.655 121.759 119.950 0.256 0.000 2.403 1581 F HA 0.770 5.297 4.527 0.000 0.000 0.355 1581 F C 0.287 176.179 175.800 0.153 0.000 1.119 1581 F CA -0.824 57.329 58.000 0.256 0.000 1.007 1581 F CB 1.439 40.607 39.000 0.280 0.000 1.194 1581 F HN 0.192 nan 8.300 nan 0.000 0.443 1582 I N 1.077 121.794 120.570 0.244 0.000 2.644 1582 I HA 0.248 4.418 4.170 0.000 0.000 0.291 1582 I C -0.176 176.008 176.117 0.112 0.000 1.180 1582 I CA -0.979 60.400 61.300 0.131 0.000 1.040 1582 I CB 2.114 40.137 38.000 0.037 0.000 1.255 1582 I HN 0.426 nan 8.210 nan 0.000 0.422 1583 S N 4.238 119.986 115.700 0.080 0.000 2.558 1583 S HA 0.097 4.567 4.470 0.000 0.000 0.288 1583 S C 1.363 175.969 174.600 0.010 0.000 1.318 1583 S CA -0.152 58.076 58.200 0.048 0.000 1.056 1583 S CB 0.654 63.868 63.200 0.024 0.000 0.853 1583 S HN 0.601 nan 8.310 nan 0.000 0.505 1584 K N 3.904 124.305 120.400 0.003 0.000 2.113 1584 K HA -0.153 4.167 4.320 0.000 0.000 0.208 1584 K C 1.849 178.405 176.600 -0.073 0.000 1.047 1584 K CA 1.908 58.176 56.287 -0.030 0.000 0.928 1584 K CB -0.431 32.055 32.500 -0.023 0.000 0.716 1584 K HN 0.752 nan 8.250 nan 0.000 0.446 1585 E N 0.346 120.514 120.200 -0.053 0.000 2.001 1585 E HA -0.114 4.236 4.350 0.000 0.000 0.193 1585 E C 2.220 178.775 176.600 -0.075 0.000 0.994 1585 E CA 0.491 56.852 56.400 -0.065 0.000 0.815 1585 E CB -0.081 29.597 29.700 -0.036 0.000 0.770 1585 E HN 0.090 nan 8.360 nan 0.000 0.453 1586 R N 1.049 121.522 120.500 -0.045 0.000 2.154 1586 R HA -0.215 4.125 4.340 0.000 0.000 0.248 1586 R C 2.156 178.414 176.300 -0.070 0.000 1.155 1586 R CA 1.434 57.510 56.100 -0.041 0.000 0.979 1586 R CB -0.321 29.969 30.300 -0.017 0.000 0.869 1586 R HN 0.371 nan 8.270 nan 0.000 0.452 1587 E N 0.018 120.166 120.200 -0.086 0.000 2.028 1587 E HA -0.203 4.147 4.350 0.000 0.000 0.191 1587 E C 1.805 178.291 176.600 -0.189 0.000 0.988 1587 E CA 0.960 57.294 56.400 -0.111 0.000 0.799 1587 E CB -0.014 29.635 29.700 -0.084 0.000 0.755 1587 E HN 0.001 nan 8.360 nan 0.000 0.447 1588 R N 0.431 120.739 120.500 -0.321 0.000 2.200 1588 R HA -0.058 4.282 4.340 0.000 0.000 0.234 1588 R C 1.898 177.961 176.300 -0.394 0.000 1.127 1588 R CA 1.183 56.870 56.100 -0.688 0.000 0.989 1588 R CB -0.661 29.177 30.300 -0.770 0.000 0.869 1588 R HN 0.343 nan 8.270 nan 0.000 0.459 1589 A N -0.064 122.652 122.820 -0.174 0.000 1.832 1589 A HA -0.085 4.235 4.320 0.000 0.000 0.214 1589 A C 1.826 179.418 177.584 0.015 0.000 1.204 1589 A CA 0.957 52.963 52.037 -0.052 0.000 0.606 1589 A CB -0.609 18.373 19.000 -0.030 0.000 0.849 1589 A HN 0.158 nan 8.150 nan 0.000 0.445 1590 L N -0.170 121.064 121.223 0.018 0.000 2.042 1590 L HA -0.127 4.213 4.340 0.000 0.000 0.210 1590 L C 2.343 179.342 176.870 0.216 0.000 1.076 1590 L CA 1.391 56.304 54.840 0.122 0.000 0.749 1590 L CB -0.799 41.272 42.059 0.019 0.000 0.893 1590 L HN 0.358 nan 8.230 nan 0.000 0.432 1591 L N -0.827 120.489 121.223 0.155 0.000 2.549 1591 L HA -0.186 4.154 4.340 0.000 0.000 0.230 1591 L C 1.958 178.988 176.870 0.267 0.000 1.162 1591 L CA 0.660 55.641 54.840 0.234 0.000 0.834 1591 L CB -0.444 41.739 42.059 0.206 0.000 0.947 1591 L HN 0.248 nan 8.230 nan 0.000 0.452 1592 K N -0.104 120.429 120.400 0.222 0.000 2.589 1592 K HA -0.108 4.212 4.320 0.000 0.000 0.192 1592 K C 0.533 177.224 176.600 0.152 0.000 1.029 1592 K CA 0.135 56.562 56.287 0.232 0.000 1.031 1592 K CB -0.183 32.429 32.500 0.187 0.000 0.821 1592 K HN 0.123 nan 8.250 nan 0.000 0.502 1593 D N 1.894 122.382 120.400 0.148 0.000 2.688 1593 D HA -0.051 4.589 4.640 0.000 0.000 0.228 1593 D C -0.409 175.934 176.300 0.072 0.000 1.116 1593 D CA -0.115 53.934 54.000 0.080 0.000 1.023 1593 D CB -0.178 40.657 40.800 0.059 0.000 1.100 1593 D HN -0.072 nan 8.370 nan 0.000 0.487 1594 Q N 1.558 121.403 119.800 0.074 0.000 2.300 1594 Q HA 0.116 4.456 4.340 0.000 0.000 0.280 1594 Q C -0.358 175.656 176.000 0.023 0.000 1.033 1594 Q CA 0.559 56.403 55.803 0.068 0.000 0.903 1594 Q CB 0.415 29.188 28.738 0.057 0.000 1.195 1594 Q HN 0.500 nan 8.270 nan 0.000 0.386 1595 Q N 4.224 124.049 119.800 0.042 0.000 3.734 1595 Q HA 0.033 4.373 4.340 0.000 0.000 0.119 1595 Q C -2.226 173.837 176.000 0.105 0.000 0.637 1595 Q CA -0.451 55.357 55.803 0.008 0.000 0.956 1595 Q CB 0.142 28.802 28.738 -0.130 0.000 1.506 1595 Q HN 0.526 nan 8.270 nan 0.000 0.394 1596 P HA -0.354 nan 4.420 nan 0.000 0.235 1596 P C 1.131 178.614 177.300 0.305 0.000 0.994 1596 P CA 3.175 66.402 63.100 0.213 0.000 1.041 1596 P CB -0.313 31.483 31.700 0.159 0.000 0.664 1597 G N -1.463 107.548 108.800 0.352 0.000 2.529 1597 G HA2 -0.266 3.694 3.960 0.000 0.000 0.219 1597 G HA3 -0.266 3.694 3.960 0.000 0.000 0.219 1597 G C 0.169 175.413 174.900 0.573 0.000 1.177 1597 G CA 1.752 47.138 45.100 0.476 0.000 0.773 1597 G HN 0.514 nan 8.290 nan 0.000 0.573 1598 T N 0.412 115.291 114.554 0.541 0.000 2.867 1598 T HA 0.307 4.657 4.350 0.000 0.000 0.290 1598 T C -0.250 174.773 174.700 0.538 0.000 1.025 1598 T CA 0.514 62.863 62.100 0.416 0.000 1.146 1598 T CB 0.102 69.089 68.868 0.199 0.000 1.024 1598 T HN 0.800 nan 8.240 nan 0.000 0.519 1599 F N 1.498 121.658 119.950 0.349 0.000 2.745 1599 F HA 0.826 5.353 4.527 0.000 0.000 0.316 1599 F C -1.623 174.394 175.800 0.361 0.000 1.155 1599 F CA -1.924 56.313 58.000 0.394 0.000 0.937 1599 F CB 1.460 40.694 39.000 0.390 0.000 1.361 1599 F HN 0.762 nan 8.300 nan 0.000 0.472 1600 L N 0.309 121.777 121.223 0.408 0.000 2.540 1600 L HA 0.784 5.124 4.340 0.000 0.000 0.256 1600 L C -2.204 174.900 176.870 0.390 0.000 1.001 1600 L CA -1.183 53.799 54.840 0.237 0.000 0.843 1600 L CB 2.542 44.674 42.059 0.121 0.000 1.436 1600 L HN 0.829 nan 8.230 nan 0.000 0.410 1601 L N 2.536 123.927 121.223 0.280 0.000 2.313 1601 L HA 0.719 5.059 4.340 0.000 0.000 0.283 1601 L C -0.232 176.622 176.870 -0.028 0.000 1.013 1601 L CA -0.497 54.490 54.840 0.244 0.000 0.816 1601 L CB 1.615 43.884 42.059 0.350 0.000 1.236 1601 L HN 0.762 nan 8.230 nan 0.000 0.419 1602 R N 1.654 122.069 120.500 -0.142 0.000 2.799 1602 R HA 0.653 4.993 4.340 0.000 0.000 0.270 1602 R C -1.662 174.367 176.300 -0.451 0.000 1.010 1602 R CA -0.848 55.055 56.100 -0.329 0.000 0.916 1602 R CB 1.378 31.624 30.300 -0.090 0.000 1.228 1602 R HN 0.144 nan 8.270 nan 0.000 0.469 1603 F N 0.477 120.349 119.950 -0.131 0.000 2.379 1603 F HA 0.360 4.887 4.527 0.000 0.000 0.332 1603 F C 1.184 177.018 175.800 0.056 0.000 1.096 1603 F CA -0.438 57.493 58.000 -0.114 0.000 1.105 1603 F CB 1.833 40.665 39.000 -0.280 0.000 1.189 1603 F HN 0.583 nan 8.300 nan 0.000 0.515 1604 S N 1.070 116.925 115.700 0.259 0.000 2.560 1604 S HA 0.063 4.533 4.470 0.000 0.000 0.284 1604 S C 0.801 175.679 174.600 0.464 0.000 1.327 1604 S CA -0.219 58.127 58.200 0.243 0.000 1.055 1604 S CB 0.491 63.774 63.200 0.138 0.000 0.868 1604 S HN 0.751 nan 8.310 nan 0.000 0.506 1605 E N 2.148 122.581 120.200 0.388 0.000 2.389 1605 E HA 0.030 4.380 4.350 0.000 0.000 0.199 1605 E C 1.919 178.702 176.600 0.305 0.000 0.978 1605 E CA 0.336 56.964 56.400 0.380 0.000 0.912 1605 E CB 0.122 29.886 29.700 0.106 0.000 0.907 1605 E HN 0.684 nan 8.360 nan 0.000 0.494 1606 S N 1.129 116.969 115.700 0.232 0.000 2.355 1606 S HA -0.092 4.378 4.470 0.000 0.000 0.222 1606 S C 1.333 176.075 174.600 0.236 0.000 1.031 1606 S CA 0.340 58.666 58.200 0.210 0.000 0.993 1606 S CB -0.110 63.154 63.200 0.107 0.000 0.859 1606 S HN 0.055 nan 8.310 nan 0.000 0.453 1607 S N 1.591 117.368 115.700 0.128 0.000 2.525 1607 S HA 0.087 4.557 4.470 0.000 0.000 0.285 1607 S C 1.269 175.664 174.600 -0.343 0.000 1.283 1607 S CA -0.441 57.733 58.200 -0.043 0.000 1.072 1607 S CB 0.436 63.618 63.200 -0.030 0.000 0.867 1607 S HN 0.389 nan 8.310 nan 0.000 0.492 1608 R N 3.633 123.781 120.500 -0.586 0.000 2.161 1608 R HA 0.018 4.358 4.340 0.000 0.000 0.213 1608 R C 1.344 177.326 176.300 -0.529 0.000 1.055 1608 R CA 1.268 56.735 56.100 -1.055 0.000 0.996 1608 R CB -0.096 29.824 30.300 -0.633 0.000 0.901 1608 R HN 0.801 nan 8.270 nan 0.000 0.456 1609 E N -0.337 119.672 120.200 -0.319 0.000 2.076 1609 E HA 0.086 4.436 4.350 0.000 0.000 0.190 1609 E C 0.283 176.734 176.600 -0.249 0.000 0.979 1609 E CA 0.682 56.941 56.400 -0.235 0.000 0.807 1609 E CB 0.089 29.692 29.700 -0.162 0.000 0.761 1609 E HN 0.444 nan 8.360 nan 0.000 0.454 1610 G N 0.744 109.408 108.800 -0.227 0.000 3.438 1610 G HA2 0.286 4.246 3.960 0.000 0.000 0.684 1610 G HA3 0.286 4.246 3.960 0.000 0.000 0.684 1610 G C -0.967 173.835 174.900 -0.163 0.000 1.192 1610 G CA -0.476 44.471 45.100 -0.254 0.000 1.013 1610 G HN 0.448 nan 8.290 nan 0.000 0.530 1611 A N 2.625 125.397 122.820 -0.080 0.000 2.609 1611 A HA 0.966 5.286 4.320 0.000 0.000 0.291 1611 A C -0.292 177.336 177.584 0.074 0.000 1.096 1611 A CA -0.422 51.593 52.037 -0.036 0.000 0.684 1611 A CB 1.335 20.305 19.000 -0.050 0.000 1.282 1611 A HN 2.138 nan 8.150 nan 0.000 0.412 1612 I N -1.697 118.831 120.570 -0.070 0.000 2.863 1612 I HA 0.927 5.097 4.170 0.000 0.000 0.311 1612 I C -0.078 175.957 176.117 -0.136 0.000 1.026 1612 I CA -0.886 60.296 61.300 -0.197 0.000 1.077 1612 I CB 0.894 38.529 38.000 -0.610 0.000 1.262 1612 I HN 0.675 nan 8.210 nan 0.000 0.461 1613 T N 3.074 117.586 114.554 -0.070 0.000 2.853 1613 T HA 0.734 5.084 4.350 0.000 0.000 0.311 1613 T C -1.634 173.142 174.700 0.126 0.000 1.307 1613 T CA -0.380 61.693 62.100 -0.045 0.000 1.019 1613 T CB 1.215 70.027 68.868 -0.093 0.000 1.264 1613 T HN 0.524 nan 8.240 nan 0.000 0.497 1614 F N 0.424 120.562 119.950 0.314 0.000 2.532 1614 F HA 0.873 5.400 4.527 0.000 0.000 0.321 1614 F C -0.156 175.879 175.800 0.392 0.000 1.089 1614 F CA -0.905 57.313 58.000 0.362 0.000 0.926 1614 F CB 1.262 40.442 39.000 0.301 0.000 1.168 1614 F HN 0.365 nan 8.300 nan 0.000 0.459 1615 T N 2.206 117.152 114.554 0.654 0.000 2.916 1615 T HA 0.670 5.020 4.350 0.000 0.000 0.292 1615 T C -1.529 173.570 174.700 0.666 0.000 1.055 1615 T CA -0.537 61.833 62.100 0.449 0.000 1.009 1615 T CB 1.744 70.735 68.868 0.204 0.000 1.118 1615 T HN 0.871 nan 8.240 nan 0.000 0.497 1616 W N 0.685 122.216 121.300 0.386 0.000 3.005 1616 W HA 0.720 5.380 4.660 0.000 0.000 0.343 1616 W C -1.814 174.871 176.519 0.277 0.000 1.243 1616 W CA -1.266 56.298 57.345 0.365 0.000 1.186 1616 W CB 0.130 29.802 29.460 0.354 0.000 1.453 1616 W HN 0.601 nan 8.180 nan 0.000 0.575 1617 V N -0.999 119.181 119.914 0.442 0.000 3.096 1617 V HA 0.882 5.002 4.120 0.000 0.000 0.319 1617 V C -0.547 175.707 176.094 0.266 0.000 1.103 1617 V CA -1.074 61.354 62.300 0.213 0.000 1.016 1617 V CB 1.560 33.529 31.823 0.244 0.000 1.090 1617 V HN 0.825 nan 8.190 nan 0.000 0.449 1618 E N 0.168 120.395 120.200 0.046 0.000 2.454 1618 E HA 0.588 4.938 4.350 0.000 0.000 0.279 1618 E C -1.551 175.051 176.600 0.003 0.000 1.029 1618 E CA -1.194 55.256 56.400 0.083 0.000 0.831 1618 E CB 2.148 31.914 29.700 0.111 0.000 1.405 1618 E HN 0.503 nan 8.360 nan 0.000 0.463 1619 R N 0.672 121.192 120.500 0.034 0.000 2.637 1619 R HA 0.706 5.046 4.340 0.000 0.000 0.291 1619 R C -0.678 175.634 176.300 0.020 0.000 0.963 1619 R CA -0.562 55.546 56.100 0.014 0.000 0.901 1619 R CB 1.820 32.136 30.300 0.027 0.000 1.160 1619 R HN 0.523 nan 8.270 nan 0.000 0.457 1623 G N 0.770 109.566 108.800 -0.007 0.000 2.967 1623 G HA2 0.278 4.238 3.960 0.000 0.000 0.684 1623 G HA3 0.278 4.238 3.960 0.000 0.000 0.684 1623 G C 0.379 175.269 174.900 -0.018 0.000 1.596 1623 G CA 0.411 45.506 45.100 -0.008 0.000 1.102 1623 G HN 1.094 nan 8.290 nan 0.000 0.596 1624 G N 0.252 109.042 108.800 -0.015 0.000 3.273 1624 G HA2 0.163 4.123 3.960 0.000 0.000 0.325 1624 G HA3 0.163 4.123 3.960 0.000 0.000 0.325 1624 G C 0.752 175.619 174.900 -0.054 0.000 0.960 1624 G CA 1.042 46.128 45.100 -0.024 0.000 0.808 1624 G HN 1.888 nan 8.290 nan 0.000 0.387 1625 E N 2.315 122.490 120.200 -0.041 0.000 2.113 1625 E HA -0.156 4.194 4.350 0.000 0.000 0.210 1625 E C -0.991 175.492 176.600 -0.195 0.000 1.040 1625 E CA 1.320 57.682 56.400 -0.064 0.000 0.847 1625 E CB -0.762 28.937 29.700 -0.002 0.000 0.755 1625 E HN 0.504 nan 8.360 nan 0.000 0.459 1626 P HA -0.146 nan 4.420 nan 0.000 0.258 1626 P C -0.890 176.002 177.300 -0.681 0.000 1.136 1626 P CA 1.291 63.947 63.100 -0.739 0.000 0.761 1626 P CB 0.147 31.618 31.700 -0.382 0.000 0.724 1627 D N 2.261 122.059 120.400 -1.004 0.000 3.617 1627 D HA 0.028 4.668 4.640 0.000 0.000 0.264 1627 D C -0.501 175.378 176.300 -0.702 0.000 1.579 1627 D CA -0.165 53.470 54.000 -0.609 0.000 0.817 1627 D CB -0.459 40.110 40.800 -0.384 0.000 1.516 1627 D HN 0.113 nan 8.370 nan 0.000 0.619 1628 F N 1.633 121.464 119.950 -0.200 0.000 2.578 1628 F HA 0.242 4.769 4.527 0.000 0.000 0.381 1628 F C 1.278 176.940 175.800 -0.229 0.000 1.069 1628 F CA 0.404 58.267 58.000 -0.230 0.000 1.231 1628 F CB 0.102 39.048 39.000 -0.088 0.000 1.086 1628 F HN -0.068 nan 8.300 nan 0.000 0.564 1629 H N 0.691 119.456 119.070 -0.508 0.000 2.690 1629 H HA 0.838 5.394 4.556 0.000 0.000 0.368 1629 H C -0.893 173.921 175.328 -0.856 0.000 1.150 1629 H CA -1.397 54.180 56.048 -0.785 0.000 1.174 1629 H CB 2.030 31.068 29.762 -1.207 0.000 1.684 1629 H HN 0.769 nan 8.280 nan 0.000 0.538 1630 A N 1.890 124.507 122.820 -0.339 0.000 2.488 1630 A HA 0.479 4.799 4.320 0.000 0.000 0.298 1630 A C -0.661 176.889 177.584 -0.057 0.000 1.044 1630 A CA -0.766 51.185 52.037 -0.143 0.000 0.693 1630 A CB 0.889 19.857 19.000 -0.054 0.000 1.272 1630 A HN 0.462 nan 8.150 nan 0.000 0.402 1631 V N -0.179 119.710 119.914 -0.041 0.000 2.834 1631 V HA 0.449 4.569 4.120 0.000 0.000 0.301 1631 V C 0.668 176.632 176.094 -0.217 0.000 1.066 1631 V CA -0.831 61.390 62.300 -0.132 0.000 1.052 1631 V CB 0.945 32.501 31.823 -0.445 0.000 1.021 1631 V HN 0.854 nan 8.190 nan 0.000 0.480 1632 E N 3.392 123.465 120.200 -0.212 0.000 2.406 1632 E HA 0.172 4.522 4.350 0.000 0.000 0.258 1632 E C -2.298 174.089 176.600 -0.356 0.000 1.043 1632 E CA -1.450 54.819 56.400 -0.218 0.000 0.929 1632 E CB 0.637 30.226 29.700 -0.185 0.000 0.969 1632 E HN 0.601 nan 8.360 nan 0.000 0.462 1633 P HA -0.149 nan 4.420 nan 0.000 0.263 1633 P C -0.968 176.180 177.300 -0.253 0.000 1.162 1633 P CA 0.923 63.905 63.100 -0.196 0.000 0.758 1633 P CB 0.088 31.735 31.700 -0.089 0.000 0.773 1634 Y N 0.857 121.069 120.300 -0.148 0.000 2.326 1634 Y HA 0.388 4.938 4.550 0.000 0.000 0.337 1634 Y C 1.370 177.170 175.900 -0.166 0.000 1.023 1634 Y CA 0.165 58.188 58.100 -0.128 0.000 1.143 1634 Y CB 1.261 39.667 38.460 -0.090 0.000 1.183 1634 Y HN 0.238 nan 8.280 nan 0.000 0.485 1635 T N 1.374 115.930 114.554 0.003 0.000 2.922 1635 T HA 0.251 4.601 4.350 0.000 0.000 0.281 1635 T C 1.004 175.629 174.700 -0.126 0.000 1.005 1635 T CA -0.886 61.170 62.100 -0.075 0.000 0.982 1635 T CB 0.841 69.665 68.868 -0.075 0.000 1.158 1635 T HN 0.644 nan 8.240 nan 0.000 0.566 1636 K N 1.264 121.566 120.400 -0.163 0.000 2.280 1636 K HA 0.037 4.357 4.320 0.000 0.000 0.202 1636 K C 1.897 178.413 176.600 -0.140 0.000 1.047 1636 K CA 1.010 57.142 56.287 -0.258 0.000 0.942 1636 K CB -0.213 32.255 32.500 -0.054 0.000 0.739 1636 K HN 0.321 nan 8.250 nan 0.000 0.457 1637 K N 1.241 121.602 120.400 -0.066 0.000 2.074 1637 K HA -0.214 4.106 4.320 0.000 0.000 0.209 1637 K C 1.325 177.918 176.600 -0.011 0.000 1.048 1637 K CA 1.993 58.266 56.287 -0.024 0.000 0.926 1637 K CB 0.036 32.525 32.500 -0.019 0.000 0.713 1637 K HN 0.301 nan 8.250 nan 0.000 0.444 1638 E N 0.284 120.482 120.200 -0.004 0.000 2.024 1638 E HA -0.038 4.312 4.350 0.000 0.000 0.190 1638 E C 1.879 178.472 176.600 -0.011 0.000 0.974 1638 E CA 0.504 56.938 56.400 0.055 0.000 0.810 1638 E CB -0.360 29.469 29.700 0.215 0.000 0.775 1638 E HN 0.055 nan 8.360 nan 0.000 0.453 1639 L N 1.484 122.631 121.223 -0.126 0.000 2.357 1639 L HA -0.205 4.135 4.340 0.000 0.000 0.220 1639 L C 2.085 178.844 176.870 -0.185 0.000 1.123 1639 L CA 1.839 56.524 54.840 -0.258 0.000 0.782 1639 L CB -1.032 40.662 42.059 -0.608 0.000 0.910 1639 L HN 0.173 nan 8.230 nan 0.000 0.442 1640 S N -2.223 113.425 115.700 -0.088 0.000 2.470 1640 S HA 0.100 4.570 4.470 0.000 0.000 0.225 1640 S C 1.963 176.621 174.600 0.097 0.000 1.006 1640 S CA 0.427 58.715 58.200 0.147 0.000 0.934 1640 S CB -0.105 63.175 63.200 0.132 0.000 0.778 1640 S HN 0.309 nan 8.310 nan 0.000 0.517 1641 A N 1.019 123.873 122.820 0.055 0.000 1.901 1641 A HA 0.587 4.907 4.320 0.000 0.000 0.210 1641 A C 0.720 178.339 177.584 0.059 0.000 1.208 1641 A CA 0.505 52.575 52.037 0.055 0.000 0.644 1641 A CB 0.047 19.077 19.000 0.050 0.000 0.863 1641 A HN 0.403 nan 8.150 nan 0.000 0.454 1642 V N 0.601 120.549 119.914 0.056 0.000 2.638 1642 V HA 0.327 4.447 4.120 0.000 0.000 0.306 1642 V C -0.105 176.026 176.094 0.061 0.000 1.052 1642 V CA -0.736 61.597 62.300 0.055 0.000 0.885 1642 V CB 1.507 33.357 31.823 0.045 0.000 0.999 1642 V HN 0.308 nan 8.190 nan 0.000 0.424 1643 T N 3.977 118.583 114.554 0.087 0.000 2.939 1643 T HA 0.011 4.361 4.350 0.000 0.000 0.319 1643 T C 0.788 175.560 174.700 0.120 0.000 1.082 1643 T CA 0.523 62.699 62.100 0.126 0.000 1.133 1643 T CB 0.107 69.061 68.868 0.143 0.000 1.019 1643 T HN 0.569 nan 8.240 nan 0.000 0.548 1644 F N 5.293 125.221 119.950 -0.037 0.000 2.075 1644 F HA 0.068 4.595 4.527 0.000 0.000 0.297 1644 F C -0.930 174.828 175.800 -0.070 0.000 1.113 1644 F CA 0.675 58.607 58.000 -0.112 0.000 1.218 1644 F CB -1.488 37.469 39.000 -0.072 0.000 0.984 1644 F HN 0.497 nan 8.300 nan 0.000 0.472 1645 P HA -0.170 nan 4.420 nan 0.000 0.216 1645 P C 1.363 178.717 177.300 0.091 0.000 1.153 1645 P CA 2.152 65.262 63.100 0.016 0.000 0.858 1645 P CB -0.062 31.801 31.700 0.272 0.000 0.789 1646 D N -0.938 119.533 120.400 0.118 0.000 2.117 1646 D HA -0.123 4.517 4.640 0.000 0.000 0.197 1646 D C 2.014 178.276 176.300 -0.063 0.000 0.987 1646 D CA 1.049 55.090 54.000 0.068 0.000 0.829 1646 D CB -0.549 40.284 40.800 0.055 0.000 0.961 1646 D HN 0.200 nan 8.370 nan 0.000 0.460 1647 I N 0.866 121.356 120.570 -0.135 0.000 2.179 1647 I HA -0.230 3.940 4.170 0.000 0.000 0.242 1647 I C 2.443 178.384 176.117 -0.292 0.000 1.088 1647 I CA 0.726 61.911 61.300 -0.192 0.000 1.357 1647 I CB -0.177 37.627 38.000 -0.327 0.000 1.051 1647 I HN -0.046 nan 8.210 nan 0.000 0.409 1648 I N 0.333 120.585 120.570 -0.529 0.000 2.335 1648 I HA -0.315 3.855 4.170 0.000 0.000 0.251 1648 I C 2.772 178.641 176.117 -0.414 0.000 1.129 1648 I CA 1.249 62.121 61.300 -0.713 0.000 1.402 1648 I CB -0.429 36.981 38.000 -0.984 0.000 1.069 1648 I HN 0.246 nan 8.210 nan 0.000 0.424 1649 R N 1.278 121.668 120.500 -0.183 0.000 2.055 1649 R HA -0.099 4.241 4.340 0.000 0.000 0.228 1649 R C 1.662 177.828 176.300 -0.223 0.000 1.143 1649 R CA 1.629 57.617 56.100 -0.187 0.000 0.945 1649 R CB -0.018 30.030 30.300 -0.419 0.000 0.841 1649 R HN 0.338 nan 8.270 nan 0.000 0.429 1650 N N -0.120 118.476 118.700 -0.173 0.000 2.398 1650 N HA -0.100 4.640 4.740 0.000 0.000 0.188 1650 N C -0.169 175.300 175.510 -0.069 0.000 1.122 1650 N CA 0.048 53.021 53.050 -0.128 0.000 0.866 1650 N CB -0.138 38.290 38.487 -0.098 0.000 0.970 1650 N HN 0.173 nan 8.380 nan 0.000 0.462 1651 Y N 2.570 122.745 120.300 -0.208 0.000 2.861 1651 Y HA -0.108 4.442 4.550 0.000 0.000 0.344 1651 Y C 0.167 175.968 175.900 -0.166 0.000 1.272 1651 Y CA 0.325 58.332 58.100 -0.155 0.000 1.502 1651 Y CB 0.347 38.649 38.460 -0.263 0.000 1.333 1651 Y HN -0.117 nan 8.280 nan 0.000 0.634 1652 K N 4.265 124.205 120.400 -0.766 0.000 2.557 1652 K HA 0.575 4.895 4.320 0.000 0.000 0.257 1652 K C -1.694 174.497 176.600 -0.681 0.000 0.933 1652 K CA -0.843 55.098 56.287 -0.578 0.000 0.820 1652 K CB 2.054 34.380 32.500 -0.290 0.000 1.330 1652 K HN 0.472 nan 8.250 nan 0.000 0.432 1653 V N -1.431 118.209 119.914 -0.455 0.000 3.160 1653 V HA 0.599 4.719 4.120 0.000 0.000 0.310 1653 V C -0.600 175.426 176.094 -0.113 0.000 1.181 1653 V CA -1.333 60.815 62.300 -0.254 0.000 1.047 1653 V CB 1.900 33.654 31.823 -0.115 0.000 1.068 1653 V HN 0.759 nan 8.190 nan 0.000 0.441 1654 M N 2.857 122.431 119.600 -0.043 0.000 2.194 1654 M HA 0.679 5.159 4.480 0.000 0.000 0.347 1654 M C 0.264 176.579 176.300 0.025 0.000 1.439 1654 M CA 0.349 55.641 55.300 -0.014 0.000 1.131 1654 M CB 0.136 32.734 32.600 -0.003 0.000 1.733 1654 M HN 1.185 nan 8.290 nan 0.000 0.467 1655 A N 3.958 126.789 122.820 0.017 0.000 2.287 1655 A HA 0.671 4.991 4.320 0.000 0.000 0.273 1655 A C 1.190 178.804 177.584 0.049 0.000 1.091 1655 A CA -0.031 52.034 52.037 0.046 0.000 0.817 1655 A CB 0.053 19.066 19.000 0.022 0.000 1.069 1655 A HN 1.068 nan 8.150 nan 0.000 0.492 1656 A N 0.022 122.883 122.820 0.067 0.000 2.084 1656 A HA -0.110 4.210 4.320 0.000 0.000 0.221 1656 A C 1.212 178.815 177.584 0.033 0.000 1.161 1656 A CA 2.119 54.189 52.037 0.055 0.000 0.653 1656 A CB -0.511 18.525 19.000 0.060 0.000 0.802 1656 A HN 0.797 nan 8.150 nan 0.000 0.457 1657 E N 0.468 120.683 120.200 0.025 0.000 2.437 1657 E HA 0.074 4.424 4.350 0.000 0.000 0.189 1657 E C -0.036 176.568 176.600 0.007 0.000 1.054 1657 E CA -0.081 56.327 56.400 0.014 0.000 0.874 1657 E CB -0.249 29.457 29.700 0.010 0.000 1.011 1657 E HN 0.501 nan 8.360 nan 0.000 0.474 1658 N N 0.750 119.456 118.700 0.009 0.000 2.725 1658 N HA -0.233 4.507 4.740 0.000 0.000 0.251 1658 N C -0.769 174.737 175.510 -0.007 0.000 1.031 1658 N CA 0.814 53.865 53.050 0.002 0.000 0.720 1658 N CB -1.071 37.417 38.487 0.002 0.000 0.930 1658 N HN 0.371 nan 8.380 nan 0.000 0.543 1659 I N 0.161 120.724 120.570 -0.011 0.000 2.548 1659 I HA 0.303 4.473 4.170 0.000 0.000 0.287 1659 I C -2.304 173.792 176.117 -0.036 0.000 1.103 1659 I CA -1.905 59.382 61.300 -0.022 0.000 1.049 1659 I CB 2.448 40.436 38.000 -0.019 0.000 1.232 1659 I HN -0.196 nan 8.210 nan 0.000 0.429 1660 P HA 0.099 nan 4.420 nan 0.000 0.265 1660 P C -1.449 175.796 177.300 -0.092 0.000 1.193 1660 P CA 0.491 63.544 63.100 -0.079 0.000 0.765 1660 P CB 0.519 32.170 31.700 -0.081 0.000 0.823 1661 E N 1.518 121.643 120.200 -0.125 0.000 2.393 1661 E HA 0.172 4.522 4.350 0.000 0.000 0.282 1661 E C -1.444 175.034 176.600 -0.203 0.000 1.096 1661 E CA -1.004 55.312 56.400 -0.139 0.000 0.866 1661 E CB 0.407 30.047 29.700 -0.099 0.000 1.232 1661 E HN 0.410 nan 8.360 nan 0.000 0.431 1662 N N 2.532 121.091 118.700 -0.235 0.000 2.419 1662 N HA 0.237 4.977 4.740 0.000 0.000 0.277 1662 N C -1.690 173.612 175.510 -0.346 0.000 1.006 1662 N CA -1.822 51.036 53.050 -0.320 0.000 0.923 1662 N CB 1.628 39.931 38.487 -0.306 0.000 1.140 1662 N HN 0.363 nan 8.380 nan 0.000 0.488 1663 P HA -0.034 nan 4.420 nan 0.000 0.228 1663 P C 0.271 177.227 177.300 -0.573 0.000 1.151 1663 P CA 0.474 63.252 63.100 -0.537 0.000 0.770 1663 P CB 0.407 31.567 31.700 -0.899 0.000 0.786 1664 L N 0.540 121.341 121.223 -0.704 0.000 2.515 1664 L HA 0.089 4.429 4.340 0.000 0.000 0.281 1664 L C 1.641 178.318 176.870 -0.322 0.000 1.131 1664 L CA 0.118 54.476 54.840 -0.802 0.000 0.905 1664 L CB 0.070 41.371 42.059 -1.263 0.000 1.246 1664 L HN -0.092 nan 8.230 nan 0.000 0.463 1665 K N 2.540 122.922 120.400 -0.030 0.000 2.312 1665 K HA 0.199 4.519 4.320 0.000 0.000 0.206 1665 K C -0.303 176.135 176.600 -0.271 0.000 1.121 1665 K CA 0.685 56.852 56.287 -0.201 0.000 0.923 1665 K CB 0.570 32.905 32.500 -0.274 0.000 1.162 1665 K HN 0.238 nan 8.250 nan 0.000 0.478 1666 Y N 0.584 121.088 120.300 0.339 0.000 2.446 1666 Y HA 0.271 4.821 4.550 0.000 0.000 0.345 1666 Y C 0.447 176.251 175.900 -0.160 0.000 0.984 1666 Y CA -1.173 57.010 58.100 0.138 0.000 1.058 1666 Y CB 1.066 39.544 38.460 0.029 0.000 1.220 1666 Y HN -0.168 nan 8.280 nan 0.000 0.455 1667 L N 1.542 122.669 121.223 -0.160 0.000 2.553 1667 L HA 0.050 4.390 4.340 0.000 0.000 0.185 1667 L C 1.316 178.037 176.870 -0.249 0.000 1.137 1667 L CA 0.317 54.849 54.840 -0.514 0.000 0.919 1667 L CB -0.258 41.666 42.059 -0.224 0.000 1.560 1667 L HN 0.730 nan 8.230 nan 0.000 0.515 1668 Y N 1.214 121.371 120.300 -0.238 0.000 2.062 1668 Y HA -0.016 4.534 4.550 0.000 0.000 0.272 1668 Y C -0.964 174.892 175.900 -0.073 0.000 1.117 1668 Y CA 1.078 59.107 58.100 -0.119 0.000 1.095 1668 Y CB -1.796 36.619 38.460 -0.075 0.000 0.985 1668 Y HN 0.485 nan 8.280 nan 0.000 0.479 1669 P HA -0.018 nan 4.420 nan 0.000 0.285 1669 P C -0.991 176.131 177.300 -0.297 0.000 1.521 1669 P CA 0.929 63.760 63.100 -0.448 0.000 0.792 1669 P CB -0.762 30.828 31.700 -0.183 0.000 1.613 1670 N N -0.306 118.238 118.700 -0.259 0.000 2.806 1670 N HA -0.101 4.639 4.740 0.000 0.000 0.248 1670 N C -0.621 174.871 175.510 -0.029 0.000 1.081 1670 N CA 0.384 53.346 53.050 -0.147 0.000 0.680 1670 N CB -0.579 37.764 38.487 -0.239 0.000 0.941 1670 N HN 0.142 nan 8.380 nan 0.000 0.554 1671 I N 0.346 120.907 120.570 -0.015 0.000 2.525 1671 I HA 0.319 4.489 4.170 0.000 0.000 0.301 1671 I C 0.773 176.914 176.117 0.040 0.000 0.992 1671 I CA -0.424 60.816 61.300 -0.100 0.000 1.162 1671 I CB 1.105 38.982 38.000 -0.205 0.000 1.332 1671 I HN -0.039 nan 8.210 nan 0.000 0.458 1672 D N 4.425 124.838 120.400 0.023 0.000 2.389 1672 D HA 0.038 4.678 4.640 0.000 0.000 0.247 1672 D C 1.078 177.448 176.300 0.117 0.000 1.128 1672 D CA -0.087 53.944 54.000 0.052 0.000 0.884 1672 D CB 1.719 42.583 40.800 0.106 0.000 1.194 1672 D HN 0.500 nan 8.370 nan 0.000 0.441 1673 K N 2.009 122.494 120.400 0.143 0.000 2.032 1673 K HA -0.235 4.085 4.320 0.000 0.000 0.218 1673 K C 0.846 177.643 176.600 0.329 0.000 1.054 1673 K CA 1.713 58.208 56.287 0.348 0.000 0.941 1673 K CB 0.167 32.798 32.500 0.218 0.000 0.720 1673 K HN 0.396 nan 8.250 nan 0.000 0.449 1674 D N -0.769 119.771 120.400 0.234 0.000 2.149 1674 D HA -0.173 4.467 4.640 0.000 0.000 0.201 1674 D C 1.994 178.333 176.300 0.065 0.000 0.972 1674 D CA 0.797 54.928 54.000 0.218 0.000 0.835 1674 D CB -0.454 40.484 40.800 0.231 0.000 0.966 1674 D HN 0.390 nan 8.370 nan 0.000 0.476 1675 H N 1.428 120.487 119.070 -0.019 0.000 2.319 1675 H HA -0.120 4.436 4.556 0.000 0.000 0.297 1675 H C 1.754 176.989 175.328 -0.156 0.000 1.097 1675 H CA 2.010 58.016 56.048 -0.070 0.000 1.285 1675 H CB 0.086 29.822 29.762 -0.043 0.000 1.368 1675 H HN 0.100 nan 8.280 nan 0.000 0.495 1676 A N 0.099 122.929 122.820 0.016 0.000 1.849 1676 A HA -0.013 4.307 4.320 0.000 0.000 0.214 1676 A C 2.290 179.610 177.584 -0.440 0.000 1.269 1676 A CA 0.946 52.816 52.037 -0.279 0.000 0.605 1676 A CB -1.232 17.430 19.000 -0.564 0.000 0.937 1676 A HN 0.311 nan 8.150 nan 0.000 0.461 1677 F N 1.130 121.011 119.950 -0.114 0.000 2.699 1677 F HA 0.089 4.616 4.527 0.000 0.000 0.298 1677 F C 2.416 177.703 175.800 -0.855 0.000 1.154 1677 F CA 0.404 58.250 58.000 -0.257 0.000 1.457 1677 F CB -0.555 38.361 39.000 -0.141 0.000 1.106 1677 F HN 0.313 nan 8.300 nan 0.000 0.585 1678 G N 0.794 109.170 108.800 -0.706 0.000 2.450 1678 G HA2 -0.260 3.700 3.960 0.000 0.000 0.220 1678 G HA3 -0.260 3.700 3.960 0.000 0.000 0.220 1678 G C 1.662 176.231 174.900 -0.552 0.000 1.130 1678 G CA 0.546 45.186 45.100 -0.767 0.000 0.760 1678 G HN 0.335 nan 8.290 nan 0.000 0.557 1679 K N -0.558 119.431 120.400 -0.684 0.000 2.360 1679 K HA -0.085 4.235 4.320 0.000 0.000 0.201 1679 K C 1.349 177.587 176.600 -0.604 0.000 1.046 1679 K CA 1.056 56.935 56.287 -0.680 0.000 0.945 1679 K CB -0.161 31.803 32.500 -0.894 0.000 0.750 1679 K HN 0.580 nan 8.250 nan 0.000 0.464 1680 Y N -1.618 118.622 120.300 -0.101 0.000 2.445 1680 Y HA 0.179 4.729 4.550 0.000 0.000 0.247 1680 Y C -0.004 175.941 175.900 0.074 0.000 1.129 1680 Y CA -1.297 56.802 58.100 -0.000 0.000 1.251 1680 Y CB -0.406 38.082 38.460 0.046 0.000 1.176 1680 Y HN -0.156 nan 8.280 nan 0.000 0.522 1681 Y N 1.366 121.741 120.300 0.124 0.000 2.805 1681 Y HA -0.092 4.458 4.550 0.000 0.000 0.331 1681 Y C 2.030 177.972 175.900 0.069 0.000 1.241 1681 Y CA 0.067 58.217 58.100 0.082 0.000 1.546 1681 Y CB 0.487 38.965 38.460 0.031 0.000 1.248 1681 Y HN 0.061 nan 8.280 nan 0.000 0.559 1682 S N 3.936 119.782 115.700 0.243 0.000 2.359 1682 S HA -0.223 4.247 4.470 0.000 0.000 0.223 1682 S C 1.029 175.689 174.600 0.101 0.000 1.039 1682 S CA 1.264 59.549 58.200 0.143 0.000 1.042 1682 S CB -0.207 63.055 63.200 0.103 0.000 0.915 1682 S HN 0.827 nan 8.310 nan 0.000 0.439 1683 R N 0.000 120.545 120.500 0.075 0.000 2.786 1683 R HA 0.000 4.340 4.340 0.000 0.000 0.208 1683 R CA 0.000 56.124 56.100 0.041 0.000 0.921 1683 R CB 0.000 30.325 30.300 0.041 0.000 0.687 1683 R HN 0.000 nan 8.270 nan 0.000 0.535