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 1fc0_1_B DATA FIRST_RESID 1023 DATA SEQUENCE NVAELKKSFN RHLHFTLVKD RNVATTRDYY FALAHTVRDH LVGRWIRTQQ DATA SEQUENCE HYYDKCPKRV YYLSLEFYMG RTLQNTMINL GLQNACDEAI YQLGLDIEEL DATA SEQUENCE EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE YGIFNQKIRD DATA SEQUENCE GWQVEEADDW LRYGNPWEKS RPEFMLPVHF YGKVEHTNTG TKWIDTQVVL DATA SEQUENCE ALPYDTPVPG YMNNTVNTMR LWSARAPXXX XXXXXXXGDY IQAVLDRNLA DATA SEQUENCE ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK ASKFXXXXXX DATA SEQUENCE GTVFDAFPDQ VAIQLNDTHP ALAIPELMRI FVDIEKLPWS KAWELTQKTF DATA SEQUENCE AYTNHTVLPE ALERWPVDLV EKLLPRHLEI IYEINQKHLD RIVALFPKDV DATA SEQUENCE DRLRRMSLIE EEGSKRINMA HLCIVGSHAV NGVAKIHSDI VKTKVFKDFS DATA SEQUENCE ELEPDKFQNK TNGITPRRWL LLCNPGLAEL IAEKIGEDYV KDLSQLTKLH DATA SEQUENCE SFLGDDVFLR ELAKVKQENK LKFSQFLETE YKVKINPSSM FDVQVKRIHE DATA SEQUENCE YKRQLLNCLH VITMYNRIKK DPKKLFVPRT VIIGGKAAPG YHMAKMIIKL DATA SEQUENCE ITSVADVVNN DPMVGSKLKV IFLENYRVSL AEKVIPATDL SEQISTAGTE DATA SEQUENCE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENLFIFG MRIDDVAALD DATA SEQUENCE KKGYEAKEYY EALPELKLVI DQIDNGFFSP KQPDLFKDII NMLFYHDRFK DATA SEQUENCE VFADYEAYVK CQDKVSQLYM NPKAWNTMVL KNIAASGKFS SDRTIKEYAQ DATA SEQUENCE NIWNVEPSD 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 1023 N HA 0.000 nan 4.740 nan 0.000 0.220 1023 N C 0.000 175.535 175.510 0.042 0.000 1.280 1023 N CA 0.000 53.073 53.050 0.039 0.000 0.885 1023 N CB 0.000 38.505 38.487 0.029 0.000 1.341 1024 V N 0.336 120.267 119.914 0.029 0.000 2.278 1024 V HA -0.291 3.829 4.120 0.000 0.000 0.251 1024 V C 2.634 178.747 176.094 0.031 0.000 1.062 1024 V CA 3.291 65.606 62.300 0.026 0.000 1.038 1024 V CB -1.518 30.318 31.823 0.022 0.000 0.646 1024 V HN 0.881 nan 8.190 nan 0.000 0.447 1025 A N -0.541 122.297 122.820 0.030 0.000 1.903 1025 A HA -0.284 4.036 4.320 0.000 0.000 0.219 1025 A C 2.197 179.809 177.584 0.047 0.000 1.191 1025 A CA 2.156 54.211 52.037 0.030 0.000 0.638 1025 A CB -0.506 18.509 19.000 0.025 0.000 0.823 1025 A HN 0.557 nan 8.150 nan 0.000 0.451 1026 E N -0.221 120.015 120.200 0.060 0.000 2.107 1026 E HA -0.060 4.290 4.350 0.000 0.000 0.191 1026 E C 2.067 178.740 176.600 0.121 0.000 0.982 1026 E CA 0.731 57.181 56.400 0.083 0.000 0.809 1026 E CB -0.442 29.309 29.700 0.085 0.000 0.756 1026 E HN 0.690 nan 8.360 nan 0.000 0.459 1027 L N 0.765 122.061 121.223 0.122 0.000 2.083 1027 L HA -0.167 4.173 4.340 0.000 0.000 0.209 1027 L C 2.379 179.346 176.870 0.162 0.000 1.083 1027 L CA 1.165 56.097 54.840 0.153 0.000 0.752 1027 L CB -0.266 41.846 42.059 0.088 0.000 0.899 1027 L HN 0.042 nan 8.230 nan 0.000 0.433 1028 K N -0.009 120.449 120.400 0.098 0.000 2.097 1028 K HA -0.173 4.147 4.320 0.000 0.000 0.205 1028 K C 2.140 178.832 176.600 0.153 0.000 1.050 1028 K CA 1.072 57.408 56.287 0.083 0.000 0.938 1028 K CB -0.027 32.480 32.500 0.012 0.000 0.718 1028 K HN 0.225 nan 8.250 nan 0.000 0.442 1029 K N 0.597 121.071 120.400 0.123 0.000 2.002 1029 K HA -0.114 4.206 4.320 0.000 0.000 0.209 1029 K C 2.413 179.099 176.600 0.144 0.000 1.048 1029 K CA 1.436 57.789 56.287 0.111 0.000 0.930 1029 K CB -0.152 32.394 32.500 0.077 0.000 0.714 1029 K HN -0.028 nan 8.250 nan 0.000 0.438 1030 S N 0.168 115.971 115.700 0.171 0.000 2.368 1030 S HA -0.182 4.288 4.470 0.000 0.000 0.225 1030 S C 1.784 176.549 174.600 0.275 0.000 1.030 1030 S CA 1.222 59.532 58.200 0.183 0.000 0.999 1030 S CB -0.387 62.960 63.200 0.244 0.000 0.844 1030 S HN 0.365 nan 8.310 nan 0.000 0.459 1031 F N 2.501 122.558 119.950 0.178 0.000 2.095 1031 F HA -0.087 4.440 4.527 0.000 0.000 0.298 1031 F C 1.866 177.765 175.800 0.164 0.000 1.104 1031 F CA 2.162 60.275 58.000 0.188 0.000 1.232 1031 F CB -0.809 38.261 39.000 0.117 0.000 0.987 1031 F HN 0.317 nan 8.300 nan 0.000 0.475 1032 N N -0.531 118.407 118.700 0.397 0.000 2.309 1032 N HA -0.110 4.630 4.740 0.000 0.000 0.182 1032 N C 1.912 177.478 175.510 0.094 0.000 1.018 1032 N CA 0.495 53.688 53.050 0.238 0.000 0.876 1032 N CB -0.081 38.518 38.487 0.187 0.000 0.972 1032 N HN 0.274 nan 8.380 nan 0.000 0.434 1033 R N -0.109 120.448 120.500 0.096 0.000 2.073 1033 R HA -0.037 4.303 4.340 0.000 0.000 0.229 1033 R C 1.646 177.999 176.300 0.088 0.000 1.120 1033 R CA 1.187 57.350 56.100 0.105 0.000 0.967 1033 R CB -0.127 30.220 30.300 0.078 0.000 0.862 1033 R HN 0.401 nan 8.270 nan 0.000 0.436 1034 H N -0.195 118.903 119.070 0.047 0.000 2.357 1034 H HA -0.128 4.428 4.556 0.000 0.000 0.301 1034 H C 1.912 177.173 175.328 -0.112 0.000 1.082 1034 H CA 1.432 57.453 56.048 -0.046 0.000 1.342 1034 H CB 0.095 29.795 29.762 -0.104 0.000 1.389 1034 H HN 0.047 nan 8.280 nan 0.000 0.511 1035 L N 0.006 121.201 121.223 -0.047 0.000 2.042 1035 L HA -0.205 4.135 4.340 0.000 0.000 0.210 1035 L C 2.204 179.050 176.870 -0.040 0.000 1.076 1035 L CA 1.898 56.688 54.840 -0.083 0.000 0.749 1035 L CB -0.503 41.510 42.059 -0.076 0.000 0.893 1035 L HN 0.293 nan 8.230 nan 0.000 0.432 1036 H N -1.495 117.475 119.070 -0.167 0.000 2.268 1036 H HA -0.095 4.461 4.556 0.000 0.000 0.304 1036 H C 1.754 176.861 175.328 -0.368 0.000 1.064 1036 H CA 2.495 58.343 56.048 -0.334 0.000 1.316 1036 H CB -0.276 29.151 29.762 -0.558 0.000 1.386 1036 H HN 0.328 nan 8.280 nan 0.000 0.496 1037 F N -0.602 119.320 119.950 -0.046 0.000 2.335 1037 F HA 0.015 4.542 4.527 0.000 0.000 0.296 1037 F C 2.597 178.320 175.800 -0.129 0.000 1.091 1037 F CA 1.285 59.212 58.000 -0.122 0.000 1.399 1037 F CB -0.462 38.500 39.000 -0.064 0.000 1.067 1037 F HN 0.163 nan 8.300 nan 0.000 0.520 1038 T N 0.045 114.634 114.554 0.059 0.000 2.894 1038 T HA 0.040 4.390 4.350 0.000 0.000 0.258 1038 T C 1.892 176.523 174.700 -0.114 0.000 1.043 1038 T CA 0.721 62.787 62.100 -0.057 0.000 1.141 1038 T CB -0.086 68.715 68.868 -0.111 0.000 0.873 1038 T HN -0.012 nan 8.240 nan 0.000 0.449 1039 L N 1.121 122.282 121.223 -0.104 0.000 2.477 1039 L HA 0.232 4.572 4.340 0.000 0.000 0.220 1039 L C 0.704 177.498 176.870 -0.127 0.000 1.106 1039 L CA 0.531 55.299 54.840 -0.120 0.000 0.851 1039 L CB -0.750 41.250 42.059 -0.097 0.000 0.994 1039 L HN 0.094 nan 8.230 nan 0.000 0.462 1040 V N 0.805 120.625 119.914 -0.156 0.000 5.949 1040 V HA -0.269 3.851 4.120 0.000 0.000 0.287 1040 V C 0.283 176.279 176.094 -0.164 0.000 0.603 1040 V CA 0.985 63.162 62.300 -0.205 0.000 0.608 1040 V CB -1.909 29.823 31.823 -0.151 0.000 0.259 1040 V HN 0.388 nan 8.190 nan 0.000 0.742 1041 K N 0.227 120.542 120.400 -0.141 0.000 2.482 1041 K HA 0.678 4.998 4.320 0.000 0.000 0.257 1041 K C -0.628 175.965 176.600 -0.012 0.000 0.969 1041 K CA -0.859 55.383 56.287 -0.076 0.000 0.842 1041 K CB 2.480 34.937 32.500 -0.071 0.000 1.359 1041 K HN 0.240 nan 8.250 nan 0.000 0.441 1042 D N 0.508 120.916 120.400 0.012 0.000 2.228 1042 D HA 0.299 4.939 4.640 0.000 0.000 0.247 1042 D C 1.000 177.352 176.300 0.088 0.000 0.995 1042 D CA -0.442 53.593 54.000 0.057 0.000 0.903 1042 D CB 1.201 42.024 40.800 0.038 0.000 1.205 1042 D HN 0.144 nan 8.370 nan 0.000 0.459 1043 R N 1.262 121.838 120.500 0.127 0.000 2.200 1043 R HA -0.086 4.254 4.340 0.000 0.000 0.234 1043 R C 1.015 177.405 176.300 0.150 0.000 1.127 1043 R CA 0.836 57.052 56.100 0.193 0.000 0.989 1043 R CB -0.505 29.888 30.300 0.155 0.000 0.869 1043 R HN 0.612 nan 8.270 nan 0.000 0.459 1044 N N 0.028 118.780 118.700 0.086 0.000 2.461 1044 N HA -0.058 4.682 4.740 0.000 0.000 0.188 1044 N C 1.173 176.708 175.510 0.042 0.000 1.134 1044 N CA 0.952 54.040 53.050 0.062 0.000 0.878 1044 N CB 0.402 38.913 38.487 0.040 0.000 0.972 1044 N HN 0.148 nan 8.380 nan 0.000 0.456 1045 V N -4.316 115.616 119.914 0.029 0.000 3.372 1045 V HA 0.540 4.660 4.120 0.000 0.000 0.304 1045 V C 0.591 176.657 176.094 -0.048 0.000 1.530 1045 V CA -0.614 61.683 62.300 -0.006 0.000 1.080 1045 V CB -0.152 31.663 31.823 -0.013 0.000 0.929 1045 V HN 0.177 nan 8.190 nan 0.000 0.455 1046 A N 1.803 124.587 122.820 -0.061 0.000 2.386 1046 A HA 0.704 5.024 4.320 0.000 0.000 0.248 1046 A C 0.686 178.065 177.584 -0.342 0.000 1.082 1046 A CA 0.736 52.637 52.037 -0.227 0.000 0.789 1046 A CB 0.289 19.121 19.000 -0.280 0.000 1.025 1046 A HN 1.029 nan 8.150 nan 0.000 0.490 1047 T N -2.170 112.132 114.554 -0.419 0.000 2.938 1047 T HA 0.481 4.831 4.350 0.000 0.000 0.285 1047 T C 1.049 175.496 174.700 -0.422 0.000 1.028 1047 T CA 0.183 62.102 62.100 -0.300 0.000 1.005 1047 T CB 0.846 69.622 68.868 -0.154 0.000 1.157 1047 T HN 0.461 nan 8.240 nan 0.000 0.550 1048 T N 0.542 115.022 114.554 -0.122 0.000 2.788 1048 T HA -0.065 4.285 4.350 0.000 0.000 0.268 1048 T C 2.073 176.839 174.700 0.109 0.000 1.044 1048 T CA 1.113 63.258 62.100 0.076 0.000 1.139 1048 T CB -0.243 68.703 68.868 0.129 0.000 0.867 1048 T HN 0.526 nan 8.240 nan 0.000 0.454 1049 R N 0.928 121.462 120.500 0.056 0.000 2.096 1049 R HA -0.085 4.255 4.340 0.000 0.000 0.235 1049 R C 2.228 178.680 176.300 0.254 0.000 1.127 1049 R CA 1.376 57.573 56.100 0.161 0.000 0.968 1049 R CB -0.352 30.010 30.300 0.103 0.000 0.861 1049 R HN 0.337 nan 8.270 nan 0.000 0.440 1050 D N -0.037 120.395 120.400 0.054 0.000 2.116 1050 D HA -0.185 4.455 4.640 0.000 0.000 0.193 1050 D C 1.800 178.143 176.300 0.072 0.000 0.998 1050 D CA 1.446 55.446 54.000 0.001 0.000 0.836 1050 D CB -0.250 40.409 40.800 -0.235 0.000 0.951 1050 D HN 0.203 nan 8.370 nan 0.000 0.449 1051 Y N -0.404 119.999 120.300 0.171 0.000 2.200 1051 Y HA -0.165 4.385 4.550 0.000 0.000 0.290 1051 Y C 2.286 178.321 175.900 0.225 0.000 1.137 1051 Y CA 0.336 58.577 58.100 0.235 0.000 1.163 1051 Y CB -1.299 37.380 38.460 0.366 0.000 0.988 1051 Y HN 0.111 nan 8.280 nan 0.000 0.518 1052 Y N -0.375 120.081 120.300 0.261 0.000 2.128 1052 Y HA -0.282 4.268 4.550 0.000 0.000 0.284 1052 Y C 2.014 177.924 175.900 0.016 0.000 1.154 1052 Y CA 1.216 59.379 58.100 0.106 0.000 1.149 1052 Y CB -1.106 37.324 38.460 -0.051 0.000 0.976 1052 Y HN 0.010 nan 8.280 nan 0.000 0.505 1053 F N 0.366 120.121 119.950 -0.325 0.000 2.134 1053 F HA -0.139 4.388 4.527 0.000 0.000 0.299 1053 F C 2.671 178.283 175.800 -0.313 0.000 1.097 1053 F CA 1.491 59.228 58.000 -0.437 0.000 1.264 1053 F CB -1.200 37.723 39.000 -0.129 0.000 1.001 1053 F HN 0.206 nan 8.300 nan 0.000 0.479 1054 A N -0.229 122.556 122.820 -0.058 0.000 1.883 1054 A HA -0.189 4.131 4.320 0.000 0.000 0.217 1054 A C 2.125 179.582 177.584 -0.212 0.000 1.186 1054 A CA 1.767 53.648 52.037 -0.261 0.000 0.624 1054 A CB -1.140 17.430 19.000 -0.717 0.000 0.822 1054 A HN 0.360 nan 8.150 nan 0.000 0.444 1055 L N -0.354 120.859 121.223 -0.016 0.000 2.093 1055 L HA 0.020 4.360 4.340 0.000 0.000 0.208 1055 L C 2.600 179.457 176.870 -0.022 0.000 1.085 1055 L CA 2.108 57.069 54.840 0.203 0.000 0.755 1055 L CB -0.849 41.413 42.059 0.340 0.000 0.904 1055 L HN 0.330 nan 8.230 nan 0.000 0.435 1056 A N -1.068 121.575 122.820 -0.295 0.000 1.883 1056 A HA -0.288 4.032 4.320 0.000 0.000 0.217 1056 A C 2.169 179.404 177.584 -0.580 0.000 1.186 1056 A CA 2.043 53.772 52.037 -0.514 0.000 0.624 1056 A CB -1.138 17.233 19.000 -1.050 0.000 0.822 1056 A HN 0.681 nan 8.150 nan 0.000 0.444 1057 H N -1.024 117.726 119.070 -0.533 0.000 2.353 1057 H HA -0.071 4.485 4.556 0.000 0.000 0.300 1057 H C 2.367 177.464 175.328 -0.386 0.000 1.090 1057 H CA 2.008 57.690 56.048 -0.611 0.000 1.327 1057 H CB -0.101 29.030 29.762 -1.052 0.000 1.383 1057 H HN 0.457 nan 8.280 nan 0.000 0.508 1058 T N -0.361 114.138 114.554 -0.091 0.000 2.720 1058 T HA -0.147 4.203 4.350 0.000 0.000 0.268 1058 T C 2.201 177.064 174.700 0.272 0.000 1.037 1058 T CA 1.331 63.575 62.100 0.240 0.000 1.144 1058 T CB -0.330 68.720 68.868 0.304 0.000 0.864 1058 T HN 0.096 nan 8.240 nan 0.000 0.444 1059 V N 1.052 121.054 119.914 0.147 0.000 2.379 1059 V HA -0.077 4.043 4.120 0.000 0.000 0.245 1059 V C 2.584 178.822 176.094 0.239 0.000 1.044 1059 V CA 1.465 63.865 62.300 0.167 0.000 1.036 1059 V CB -0.549 31.402 31.823 0.214 0.000 0.664 1059 V HN 0.334 nan 8.190 nan 0.000 0.453 1060 R N 0.232 120.822 120.500 0.150 0.000 2.091 1060 R HA -0.213 4.127 4.340 0.000 0.000 0.238 1060 R C 2.019 178.440 176.300 0.201 0.000 1.136 1060 R CA 2.098 58.293 56.100 0.158 0.000 0.959 1060 R CB -0.396 29.873 30.300 -0.051 0.000 0.856 1060 R HN 0.482 nan 8.270 nan 0.000 0.437 1061 D N -0.336 120.193 120.400 0.215 0.000 2.190 1061 D HA -0.185 4.455 4.640 0.000 0.000 0.200 1061 D C 1.446 177.819 176.300 0.122 0.000 0.992 1061 D CA 1.208 55.321 54.000 0.188 0.000 0.854 1061 D CB -0.345 40.580 40.800 0.208 0.000 0.936 1061 D HN 0.500 nan 8.370 nan 0.000 0.462 1062 H N -0.693 118.443 119.070 0.111 0.000 2.556 1062 H HA 0.115 4.671 4.556 0.000 0.000 0.268 1062 H C 1.874 177.246 175.328 0.074 0.000 0.996 1062 H CA 0.203 56.301 56.048 0.084 0.000 1.157 1062 H CB 0.610 30.414 29.762 0.071 0.000 1.355 1062 H HN 0.193 nan 8.280 nan 0.000 0.597 1063 L N -0.605 120.732 121.223 0.191 0.000 2.316 1063 L HA -0.050 4.290 4.340 0.000 0.000 0.207 1063 L C 2.393 179.382 176.870 0.199 0.000 1.070 1063 L CA 0.103 55.026 54.840 0.138 0.000 0.820 1063 L CB 0.123 42.232 42.059 0.083 0.000 0.992 1063 L HN -0.012 nan 8.230 nan 0.000 0.466 1064 V N 0.725 120.779 119.914 0.233 0.000 2.236 1064 V HA -0.365 3.755 4.120 0.000 0.000 0.255 1064 V C 2.605 178.809 176.094 0.183 0.000 1.068 1064 V CA 2.413 64.867 62.300 0.256 0.000 1.044 1064 V CB -1.638 30.286 31.823 0.168 0.000 0.653 1064 V HN 0.603 nan 8.190 nan 0.000 0.448 1065 G N -0.834 108.029 108.800 0.105 0.000 2.476 1065 G HA2 -0.306 3.654 3.960 0.000 0.000 0.218 1065 G HA3 -0.306 3.654 3.960 0.000 0.000 0.218 1065 G C 1.752 176.697 174.900 0.075 0.000 1.164 1065 G CA 1.132 46.270 45.100 0.064 0.000 0.768 1065 G HN 0.461 nan 8.290 nan 0.000 0.560 1066 R N -1.574 118.980 120.500 0.089 0.000 2.148 1066 R HA -0.023 4.317 4.340 0.000 0.000 0.223 1066 R C 2.203 178.591 176.300 0.148 0.000 1.088 1066 R CA 0.767 56.910 56.100 0.072 0.000 0.985 1066 R CB -0.259 30.065 30.300 0.040 0.000 0.880 1066 R HN 0.509 nan 8.270 nan 0.000 0.451 1067 W N 1.206 122.491 121.300 -0.025 0.000 2.378 1067 W HA -0.070 4.590 4.660 0.000 0.000 0.313 1067 W C 1.626 178.123 176.519 -0.036 0.000 1.197 1067 W CA 0.970 58.298 57.345 -0.027 0.000 1.304 1067 W CB -0.750 28.711 29.460 0.001 0.000 1.148 1067 W HN -0.053 nan 8.180 nan 0.000 0.494 1068 I N 0.317 120.949 120.570 0.103 0.000 2.179 1068 I HA -0.346 3.824 4.170 0.000 0.000 0.242 1068 I C 2.633 178.739 176.117 -0.019 0.000 1.088 1068 I CA 1.617 62.888 61.300 -0.047 0.000 1.357 1068 I CB -0.510 37.467 38.000 -0.039 0.000 1.051 1068 I HN -0.103 nan 8.210 nan 0.000 0.409 1069 R N -0.099 120.406 120.500 0.009 0.000 2.073 1069 R HA -0.139 4.201 4.340 0.000 0.000 0.234 1069 R C 2.343 178.613 176.300 -0.050 0.000 1.134 1069 R CA 2.084 58.177 56.100 -0.012 0.000 0.952 1069 R CB -0.586 29.705 30.300 -0.014 0.000 0.850 1069 R HN 0.298 nan 8.270 nan 0.000 0.433 1070 T N 0.790 115.298 114.554 -0.076 0.000 2.684 1070 T HA -0.164 4.186 4.350 0.000 0.000 0.267 1070 T C 1.733 176.156 174.700 -0.461 0.000 1.036 1070 T CA 1.158 63.105 62.100 -0.255 0.000 1.148 1070 T CB -0.141 68.633 68.868 -0.156 0.000 0.863 1070 T HN 0.176 nan 8.240 nan 0.000 0.436 1071 Q N 0.743 120.437 119.800 -0.176 0.000 2.084 1071 Q HA -0.095 4.245 4.340 0.000 0.000 0.202 1071 Q C 2.380 178.387 176.000 0.012 0.000 0.978 1071 Q CA 1.426 57.202 55.803 -0.044 0.000 0.844 1071 Q CB -0.646 28.101 28.738 0.015 0.000 0.898 1071 Q HN 0.518 nan 8.270 nan 0.000 0.426 1072 Q N 0.156 119.957 119.800 0.003 0.000 2.061 1072 Q HA -0.206 4.134 4.340 0.000 0.000 0.204 1072 Q C 1.931 178.008 176.000 0.129 0.000 0.984 1072 Q CA 2.166 58.017 55.803 0.079 0.000 0.846 1072 Q CB -0.564 28.205 28.738 0.051 0.000 0.902 1072 Q HN 0.569 nan 8.270 nan 0.000 0.421 1073 H N -0.939 118.090 119.070 -0.067 0.000 2.387 1073 H HA -0.173 4.383 4.556 0.000 0.000 0.299 1073 H C 1.111 176.473 175.328 0.056 0.000 1.099 1073 H CA 2.114 58.128 56.048 -0.057 0.000 1.315 1073 H CB -0.278 29.387 29.762 -0.163 0.000 1.380 1073 H HN 0.376 nan 8.280 nan 0.000 0.513 1074 Y N -1.116 119.196 120.300 0.021 0.000 2.242 1074 Y HA -0.159 4.391 4.550 0.000 0.000 0.291 1074 Y C 2.376 178.286 175.900 0.017 0.000 1.137 1074 Y CA 1.054 59.141 58.100 -0.021 0.000 1.181 1074 Y CB -1.290 37.245 38.460 0.125 0.000 0.989 1074 Y HN 0.360 nan 8.280 nan 0.000 0.527 1075 Y N 1.178 121.554 120.300 0.127 0.000 2.200 1075 Y HA -0.191 4.359 4.550 0.000 0.000 0.290 1075 Y C 1.835 177.750 175.900 0.025 0.000 1.137 1075 Y CA 1.771 59.919 58.100 0.081 0.000 1.163 1075 Y CB -0.346 38.157 38.460 0.073 0.000 0.988 1075 Y HN 0.027 nan 8.280 nan 0.000 0.518 1076 D N 0.018 120.389 120.400 -0.048 0.000 2.084 1076 D HA -0.123 4.517 4.640 0.000 0.000 0.196 1076 D C 1.745 177.939 176.300 -0.176 0.000 0.985 1076 D CA 1.338 55.257 54.000 -0.136 0.000 0.826 1076 D CB -0.125 40.681 40.800 0.011 0.000 0.978 1076 D HN 0.169 nan 8.370 nan 0.000 0.456 1077 K N 0.034 120.307 120.400 -0.211 0.000 2.444 1077 K HA 0.098 4.418 4.320 0.000 0.000 0.193 1077 K C 0.298 176.826 176.600 -0.121 0.000 1.024 1077 K CA -0.272 55.909 56.287 -0.175 0.000 1.077 1077 K CB -0.718 31.630 32.500 -0.254 0.000 0.833 1077 K HN 0.083 nan 8.250 nan 0.000 0.517 1078 C N 2.654 121.887 119.300 -0.111 0.000 3.409 1078 C HA -0.114 4.346 4.460 0.000 0.000 0.273 1078 C C -1.857 173.118 174.990 -0.025 0.000 1.375 1078 C CA -0.983 58.002 59.018 -0.054 0.000 2.175 1078 C CB -1.887 25.805 27.740 -0.079 0.000 1.410 1078 C HN 0.343 nan 8.230 nan 0.000 0.550 1079 P HA 0.205 nan 4.420 nan 0.000 0.276 1079 P C -0.320 176.952 177.300 -0.047 0.000 1.252 1079 P CA -0.119 62.967 63.100 -0.024 0.000 0.802 1079 P CB 0.556 32.249 31.700 -0.012 0.000 1.035 1080 K N 1.884 122.260 120.400 -0.041 0.000 2.447 1080 K HA 0.033 4.353 4.320 0.000 0.000 0.281 1080 K C 0.074 176.596 176.600 -0.130 0.000 1.031 1080 K CA 0.044 56.296 56.287 -0.059 0.000 1.019 1080 K CB 0.220 32.700 32.500 -0.032 0.000 0.918 1080 K HN 0.342 nan 8.250 nan 0.000 0.476 1081 R N 2.562 122.964 120.500 -0.162 0.000 2.349 1081 R HA 0.269 4.609 4.340 0.000 0.000 0.299 1081 R C -0.723 175.329 176.300 -0.415 0.000 1.027 1081 R CA -0.781 55.135 56.100 -0.306 0.000 0.958 1081 R CB 1.588 31.686 30.300 -0.337 0.000 1.047 1081 R HN 0.308 nan 8.270 nan 0.000 0.468 1082 V N 4.190 123.791 119.914 -0.522 0.000 2.427 1082 V HA 0.263 4.383 4.120 0.000 0.000 0.286 1082 V C -0.990 174.767 176.094 -0.562 0.000 1.034 1082 V CA -0.521 61.402 62.300 -0.627 0.000 0.893 1082 V CB 1.067 32.337 31.823 -0.922 0.000 0.982 1082 V HN 0.597 nan 8.190 nan 0.000 0.452 1083 Y N 3.940 124.134 120.300 -0.176 0.000 2.376 1083 Y HA 0.393 4.943 4.550 0.000 0.000 0.326 1083 Y C -0.478 175.499 175.900 0.128 0.000 0.970 1083 Y CA -0.722 57.424 58.100 0.077 0.000 1.248 1083 Y CB 1.246 39.731 38.460 0.042 0.000 1.117 1083 Y HN 0.619 nan 8.280 nan 0.000 0.476 1084 Y N 4.878 125.343 120.300 0.275 0.000 2.535 1084 Y HA 0.361 4.911 4.550 0.000 0.000 0.349 1084 Y C -0.831 175.349 175.900 0.466 0.000 0.992 1084 Y CA -0.877 57.414 58.100 0.317 0.000 1.248 1084 Y CB 0.296 38.953 38.460 0.329 0.000 1.124 1084 Y HN 0.535 nan 8.280 nan 0.000 0.520 1085 L N 5.599 126.906 121.223 0.139 0.000 2.260 1085 L HA 0.518 4.858 4.340 0.000 0.000 0.289 1085 L C -0.478 176.443 176.870 0.086 0.000 1.057 1085 L CA 0.103 55.079 54.840 0.226 0.000 0.811 1085 L CB 0.628 42.786 42.059 0.164 0.000 1.184 1085 L HN 0.534 nan 8.230 nan 0.000 0.429 1086 S N 4.670 120.510 115.700 0.234 0.000 2.541 1086 S HA 0.431 4.901 4.470 0.000 0.000 0.271 1086 S C 0.234 174.968 174.600 0.224 0.000 1.133 1086 S CA -0.773 57.477 58.200 0.083 0.000 0.876 1086 S CB 1.057 64.147 63.200 -0.183 0.000 1.105 1086 S HN 0.553 nan 8.310 nan 0.000 0.470 1087 L N 2.119 123.488 121.223 0.243 0.000 2.554 1087 L HA 0.388 4.728 4.340 0.000 0.000 0.226 1087 L C 0.282 177.392 176.870 0.400 0.000 1.137 1087 L CA 1.235 56.296 54.840 0.368 0.000 0.863 1087 L CB -0.911 41.401 42.059 0.421 0.000 0.985 1087 L HN 0.732 nan 8.230 nan 0.000 0.451 1088 E N -1.104 119.211 120.200 0.192 0.000 2.292 1088 E HA 0.344 4.694 4.350 0.000 0.000 0.272 1088 E C -1.491 175.035 176.600 -0.124 0.000 0.881 1088 E CA -0.375 56.111 56.400 0.142 0.000 0.754 1088 E CB 2.058 31.805 29.700 0.079 0.000 1.201 1088 E HN -0.154 nan 8.360 nan 0.000 0.425 1089 F N 2.299 122.354 119.950 0.175 0.000 2.824 1089 F HA 0.171 4.698 4.527 0.000 0.000 0.375 1089 F C -0.879 174.994 175.800 0.122 0.000 1.190 1089 F CA -0.713 57.373 58.000 0.145 0.000 1.180 1089 F CB 0.820 39.900 39.000 0.132 0.000 1.477 1089 F HN 0.484 nan 8.300 nan 0.000 0.542 1090 Y N 4.935 125.286 120.300 0.085 0.000 2.573 1090 Y HA 0.166 4.716 4.550 0.000 0.000 0.346 1090 Y C 0.933 176.840 175.900 0.012 0.000 1.198 1090 Y CA -0.687 57.419 58.100 0.011 0.000 1.627 1090 Y CB 0.398 38.846 38.460 -0.021 0.000 1.457 1090 Y HN 0.498 nan 8.280 nan 0.000 0.483 1091 M N 2.015 121.750 119.600 0.225 0.000 2.510 1091 M HA 0.167 4.647 4.480 0.000 0.000 0.256 1091 M C 1.516 177.789 176.300 -0.045 0.000 1.132 1091 M CA 0.840 56.176 55.300 0.061 0.000 1.105 1091 M CB -0.950 31.666 32.600 0.026 0.000 1.375 1091 M HN 0.723 nan 8.290 nan 0.000 0.477 1092 G N 1.801 110.591 108.800 -0.016 0.000 2.564 1092 G HA2 -0.282 3.678 3.960 0.000 0.000 0.273 1092 G HA3 -0.282 3.678 3.960 0.000 0.000 0.273 1092 G C -0.179 174.657 174.900 -0.106 0.000 1.242 1092 G CA -0.257 44.784 45.100 -0.099 0.000 0.951 1092 G HN 0.439 nan 8.290 nan 0.000 0.564 1093 R N -0.802 119.608 120.500 -0.150 0.000 2.528 1093 R HA 0.608 4.948 4.340 0.000 0.000 0.271 1093 R C 1.167 177.304 176.300 -0.271 0.000 1.056 1093 R CA 0.152 56.160 56.100 -0.153 0.000 1.117 1093 R CB 1.002 31.226 30.300 -0.126 0.000 1.085 1093 R HN 0.538 nan 8.270 nan 0.000 0.530 1094 T N 1.026 115.331 114.554 -0.415 0.000 3.056 1094 T HA 0.065 4.415 4.350 0.000 0.000 0.241 1094 T C 1.730 175.988 174.700 -0.736 0.000 1.006 1094 T CA -0.199 61.448 62.100 -0.755 0.000 1.115 1094 T CB 0.047 68.026 68.868 -1.481 0.000 0.939 1094 T HN 0.373 nan 8.240 nan 0.000 0.462 1095 L N 1.447 122.374 121.223 -0.494 0.000 1.978 1095 L HA -0.358 3.982 4.340 0.000 0.000 0.235 1095 L C 2.730 179.543 176.870 -0.096 0.000 1.094 1095 L CA 2.394 57.186 54.840 -0.080 0.000 0.814 1095 L CB -0.512 41.739 42.059 0.321 0.000 0.911 1095 L HN 0.359 nan 8.230 nan 0.000 0.442 1096 Q N -0.320 119.441 119.800 -0.066 0.000 2.112 1096 Q HA -0.290 4.050 4.340 0.000 0.000 0.206 1096 Q C 1.979 177.905 176.000 -0.123 0.000 0.987 1096 Q CA 2.306 58.065 55.803 -0.073 0.000 0.858 1096 Q CB -0.282 28.410 28.738 -0.077 0.000 0.905 1096 Q HN 0.546 nan 8.270 nan 0.000 0.420 1097 N N -1.259 117.325 118.700 -0.194 0.000 2.166 1097 N HA -0.138 4.602 4.740 0.000 0.000 0.186 1097 N C 1.215 176.622 175.510 -0.172 0.000 1.019 1097 N CA 1.773 54.701 53.050 -0.202 0.000 0.856 1097 N CB 0.040 38.370 38.487 -0.263 0.000 0.993 1097 N HN 0.292 nan 8.380 nan 0.000 0.426 1098 T N 1.245 115.668 114.554 -0.217 0.000 2.770 1098 T HA -0.003 4.347 4.350 0.000 0.000 0.263 1098 T C 2.112 176.767 174.700 -0.076 0.000 1.039 1098 T CA 0.866 62.867 62.100 -0.165 0.000 1.142 1098 T CB -0.051 68.697 68.868 -0.202 0.000 0.868 1098 T HN 0.224 nan 8.240 nan 0.000 0.435 1099 M N 0.471 120.038 119.600 -0.054 0.000 2.080 1099 M HA -0.061 4.419 4.480 0.000 0.000 0.260 1099 M C 2.306 178.583 176.300 -0.038 0.000 1.068 1099 M CA 1.779 57.059 55.300 -0.034 0.000 1.109 1099 M CB -0.688 31.902 32.600 -0.016 0.000 1.342 1099 M HN 0.213 nan 8.290 nan 0.000 0.405 1100 I N 0.280 120.832 120.570 -0.030 0.000 2.179 1100 I HA -0.311 3.859 4.170 0.000 0.000 0.242 1100 I C 1.999 178.145 176.117 0.049 0.000 1.088 1100 I CA 1.202 62.510 61.300 0.013 0.000 1.357 1100 I CB -0.587 37.422 38.000 0.014 0.000 1.051 1100 I HN 0.324 nan 8.210 nan 0.000 0.409 1101 N N 0.405 119.130 118.700 0.042 0.000 2.289 1101 N HA -0.121 4.620 4.740 0.000 0.000 0.184 1101 N C 1.474 176.915 175.510 -0.115 0.000 1.016 1101 N CA 1.109 54.185 53.050 0.043 0.000 0.872 1101 N CB -0.144 38.359 38.487 0.027 0.000 0.973 1101 N HN 0.157 nan 8.380 nan 0.000 0.433 1102 L N -0.734 120.438 121.223 -0.085 0.000 2.509 1102 L HA 0.266 4.606 4.340 0.000 0.000 0.222 1102 L C 1.276 178.086 176.870 -0.100 0.000 1.123 1102 L CA 0.496 55.285 54.840 -0.084 0.000 0.856 1102 L CB -0.771 41.265 42.059 -0.038 0.000 0.985 1102 L HN 0.274 nan 8.230 nan 0.000 0.456 1103 G N -0.696 108.041 108.800 -0.104 0.000 2.160 1103 G HA2 -0.242 3.718 3.960 0.000 0.000 0.244 1103 G HA3 -0.242 3.718 3.960 0.000 0.000 0.244 1103 G C 0.690 175.552 174.900 -0.065 0.000 1.022 1103 G CA 0.322 45.366 45.100 -0.092 0.000 0.741 1103 G HN 0.181 nan 8.290 nan 0.000 0.508 1104 L N 0.076 121.258 121.223 -0.068 0.000 2.640 1104 L HA 0.277 4.617 4.340 0.000 0.000 0.230 1104 L C 2.405 179.239 176.870 -0.060 0.000 1.123 1104 L CA 1.576 56.365 54.840 -0.084 0.000 0.900 1104 L CB -0.147 41.820 42.059 -0.153 0.000 1.146 1104 L HN 0.585 nan 8.230 nan 0.000 0.484 1105 Q N 0.737 120.513 119.800 -0.040 0.000 1.975 1105 Q HA -0.269 4.071 4.340 0.000 0.000 0.205 1105 Q C 1.979 177.964 176.000 -0.024 0.000 0.990 1105 Q CA 2.442 58.230 55.803 -0.026 0.000 0.845 1105 Q CB 0.019 28.745 28.738 -0.020 0.000 0.913 1105 Q HN 0.366 nan 8.270 nan 0.000 0.420 1106 N N -0.103 118.582 118.700 -0.025 0.000 2.021 1106 N HA -0.232 4.508 4.740 0.000 0.000 0.198 1106 N C 1.589 177.086 175.510 -0.022 0.000 1.041 1106 N CA 2.334 55.370 53.050 -0.024 0.000 0.862 1106 N CB -0.744 37.730 38.487 -0.022 0.000 1.048 1106 N HN 0.416 nan 8.380 nan 0.000 0.427 1107 A N -0.133 122.673 122.820 -0.023 0.000 1.908 1107 A HA -0.147 4.173 4.320 0.000 0.000 0.218 1107 A C 2.861 180.435 177.584 -0.016 0.000 1.181 1107 A CA 1.657 53.684 52.037 -0.016 0.000 0.627 1107 A CB -1.181 17.807 19.000 -0.020 0.000 0.818 1107 A HN 0.586 nan 8.150 nan 0.000 0.445 1108 C N -0.861 118.423 119.300 -0.026 0.000 2.440 1108 C HA -0.061 4.399 4.460 0.000 0.000 0.278 1108 C C 2.417 177.402 174.990 -0.008 0.000 1.295 1108 C CA 0.964 59.973 59.018 -0.015 0.000 1.738 1108 C CB -1.136 26.597 27.740 -0.010 0.000 1.987 1108 C HN 0.600 nan 8.230 nan 0.000 0.492 1109 D N 0.600 120.996 120.400 -0.008 0.000 2.092 1109 D HA -0.118 4.522 4.640 0.000 0.000 0.193 1109 D C 2.208 178.516 176.300 0.014 0.000 0.994 1109 D CA 1.280 55.277 54.000 -0.004 0.000 0.828 1109 D CB -0.422 40.365 40.800 -0.022 0.000 0.963 1109 D HN 0.349 nan 8.370 nan 0.000 0.450 1110 E N 0.584 120.790 120.200 0.010 0.000 2.049 1110 E HA -0.142 4.208 4.350 0.000 0.000 0.198 1110 E C 2.006 178.643 176.600 0.062 0.000 1.007 1110 E CA 1.247 57.675 56.400 0.047 0.000 0.809 1110 E CB -0.597 29.117 29.700 0.024 0.000 0.749 1110 E HN 0.216 nan 8.360 nan 0.000 0.450 1111 A N 0.968 123.790 122.820 0.005 0.000 1.908 1111 A HA -0.174 4.146 4.320 0.000 0.000 0.218 1111 A C 2.192 179.699 177.584 -0.129 0.000 1.181 1111 A CA 1.479 53.489 52.037 -0.044 0.000 0.627 1111 A CB -0.525 18.452 19.000 -0.039 0.000 0.818 1111 A HN 0.240 nan 8.150 nan 0.000 0.445 1112 I N -1.570 118.921 120.570 -0.133 0.000 2.394 1112 I HA -0.176 3.994 4.170 0.000 0.000 0.251 1112 I C 2.321 178.362 176.117 -0.127 0.000 1.136 1112 I CA 1.271 62.435 61.300 -0.228 0.000 1.425 1112 I CB -1.421 36.489 38.000 -0.149 0.000 1.079 1112 I HN 0.583 nan 8.210 nan 0.000 0.425 1113 Y N 2.435 122.653 120.300 -0.136 0.000 2.133 1113 Y HA -0.217 4.333 4.550 0.000 0.000 0.287 1113 Y C 2.643 178.481 175.900 -0.103 0.000 1.134 1113 Y CA 1.665 59.705 58.100 -0.100 0.000 1.133 1113 Y CB -0.457 37.964 38.460 -0.066 0.000 0.987 1113 Y HN 0.183 nan 8.280 nan 0.000 0.502 1114 Q N -0.044 119.640 119.800 -0.194 0.000 2.234 1114 Q HA -0.162 4.178 4.340 0.000 0.000 0.206 1114 Q C 1.976 177.819 176.000 -0.261 0.000 0.980 1114 Q CA 1.495 57.137 55.803 -0.267 0.000 0.869 1114 Q CB -0.214 28.470 28.738 -0.091 0.000 0.912 1114 Q HN 0.501 nan 8.270 nan 0.000 0.436 1115 L N -0.238 120.831 121.223 -0.257 0.000 2.599 1115 L HA 0.084 4.424 4.340 0.000 0.000 0.230 1115 L C 0.776 177.485 176.870 -0.268 0.000 1.141 1115 L CA 0.146 54.827 54.840 -0.266 0.000 0.877 1115 L CB -0.089 41.737 42.059 -0.388 0.000 1.009 1115 L HN 0.333 nan 8.230 nan 0.000 0.447 1116 G N 0.869 109.492 108.800 -0.295 0.000 2.314 1116 G HA2 -0.273 3.687 3.960 0.000 0.000 0.292 1116 G HA3 -0.273 3.687 3.960 0.000 0.000 0.292 1116 G C -0.260 174.521 174.900 -0.199 0.000 1.059 1116 G CA 0.118 45.065 45.100 -0.255 0.000 0.982 1116 G HN 0.261 nan 8.290 nan 0.000 0.505 1117 L N -0.631 120.473 121.223 -0.199 0.000 2.354 1117 L HA 0.531 4.871 4.340 0.000 0.000 0.264 1117 L C -0.456 176.383 176.870 -0.052 0.000 1.008 1117 L CA -1.190 53.552 54.840 -0.164 0.000 0.819 1117 L CB 1.919 43.795 42.059 -0.305 0.000 1.339 1117 L HN 0.086 nan 8.230 nan 0.000 0.420 1118 D N 1.670 122.071 120.400 0.003 0.000 2.365 1118 D HA 0.094 4.735 4.640 0.000 0.000 0.237 1118 D C 0.780 177.115 176.300 0.058 0.000 1.190 1118 D CA -0.193 53.835 54.000 0.047 0.000 0.867 1118 D CB 1.324 42.161 40.800 0.062 0.000 1.050 1118 D HN 0.373 nan 8.370 nan 0.000 0.491 1119 I N 4.037 124.638 120.570 0.053 0.000 2.264 1119 I HA -0.193 3.977 4.170 0.000 0.000 0.248 1119 I C 1.914 178.074 176.117 0.073 0.000 1.111 1119 I CA 1.533 62.870 61.300 0.061 0.000 1.382 1119 I CB -0.149 37.877 38.000 0.044 0.000 1.060 1119 I HN 0.549 nan 8.210 nan 0.000 0.418 1120 E N 0.073 120.309 120.200 0.059 0.000 2.150 1120 E HA -0.233 4.117 4.350 0.000 0.000 0.193 1120 E C 1.982 178.621 176.600 0.065 0.000 0.985 1120 E CA 1.147 57.580 56.400 0.054 0.000 0.814 1120 E CB -0.049 29.679 29.700 0.046 0.000 0.752 1120 E HN 0.615 nan 8.360 nan 0.000 0.466 1121 E N 0.199 120.446 120.200 0.079 0.000 2.150 1121 E HA -0.137 4.213 4.350 0.000 0.000 0.193 1121 E C 2.187 178.852 176.600 0.108 0.000 0.985 1121 E CA 0.632 57.086 56.400 0.089 0.000 0.814 1121 E CB 0.095 29.855 29.700 0.100 0.000 0.752 1121 E HN 0.349 nan 8.360 nan 0.000 0.466 1122 L N 0.653 121.963 121.223 0.146 0.000 2.072 1122 L HA -0.109 4.231 4.340 0.000 0.000 0.205 1122 L C 2.223 179.194 176.870 0.167 0.000 1.079 1122 L CA 1.127 56.099 54.840 0.219 0.000 0.752 1122 L CB -0.463 41.767 42.059 0.285 0.000 0.906 1122 L HN 0.113 nan 8.230 nan 0.000 0.436 1123 E N 0.038 120.313 120.200 0.124 0.000 2.106 1123 E HA -0.178 4.172 4.350 0.000 0.000 0.192 1123 E C 1.878 178.457 176.600 -0.034 0.000 0.984 1123 E CA 0.670 57.112 56.400 0.070 0.000 0.806 1123 E CB 0.102 29.839 29.700 0.062 0.000 0.750 1123 E HN 0.337 nan 8.360 nan 0.000 0.458 1124 E N 0.457 120.647 120.200 -0.015 0.000 2.478 1124 E HA -0.093 4.257 4.350 0.000 0.000 0.198 1124 E C 1.792 178.347 176.600 -0.076 0.000 1.046 1124 E CA 0.236 56.620 56.400 -0.027 0.000 0.870 1124 E CB 0.159 29.871 29.700 0.021 0.000 0.818 1124 E HN 0.261 nan 8.360 nan 0.000 0.527 1125 I N 0.968 121.449 120.570 -0.148 0.000 2.353 1125 I HA -0.119 4.051 4.170 0.000 0.000 0.248 1125 I C 1.246 177.107 176.117 -0.426 0.000 1.119 1125 I CA 0.438 61.598 61.300 -0.233 0.000 1.417 1125 I CB -0.581 37.285 38.000 -0.223 0.000 1.078 1125 I HN 0.118 nan 8.210 nan 0.000 0.421 1126 E N 2.327 122.115 120.200 -0.687 0.000 2.529 1126 E HA -0.122 4.228 4.350 0.000 0.000 0.259 1126 E C -0.060 176.432 176.600 -0.181 0.000 0.966 1126 E CA -0.002 56.025 56.400 -0.622 0.000 0.937 1126 E CB 0.566 30.024 29.700 -0.403 0.000 0.923 1126 E HN 0.057 nan 8.360 nan 0.000 0.468 1127 E N 3.295 123.474 120.200 -0.034 0.000 2.338 1127 E HA 0.073 4.423 4.350 0.000 0.000 0.272 1127 E C -0.953 175.724 176.600 0.129 0.000 1.029 1127 E CA -0.220 56.245 56.400 0.108 0.000 0.872 1127 E CB 0.896 30.737 29.700 0.234 0.000 1.015 1127 E HN 0.467 nan 8.360 nan 0.000 0.417 1128 D N 0.741 121.194 120.400 0.088 0.000 2.424 1128 D HA 0.197 4.837 4.640 0.000 0.000 0.244 1128 D C -0.505 175.801 176.300 0.010 0.000 1.134 1128 D CA 0.110 54.133 54.000 0.039 0.000 0.881 1128 D CB 0.678 41.493 40.800 0.024 0.000 1.191 1128 D HN 0.364 nan 8.370 nan 0.000 0.445 1129 A N 2.725 125.511 122.820 -0.057 0.000 2.923 1129 A HA 0.480 4.800 4.320 0.000 0.000 0.306 1129 A C 0.831 178.278 177.584 -0.228 0.000 1.542 1129 A CA -0.480 51.371 52.037 -0.309 0.000 1.225 1129 A CB -0.210 18.683 19.000 -0.178 0.000 1.147 1129 A HN 0.504 nan 8.150 nan 0.000 0.542 1130 G N 1.514 110.133 108.800 -0.302 0.000 3.636 1130 G HA2 0.432 4.392 3.960 0.000 0.000 0.260 1130 G HA3 0.432 4.392 3.960 0.000 0.000 0.260 1130 G C 0.273 174.874 174.900 -0.499 0.000 1.014 1130 G CA -0.287 44.652 45.100 -0.268 0.000 1.797 1130 G HN 0.655 nan 8.290 nan 0.000 0.637 1131 L N 1.508 122.514 121.223 -0.361 0.000 2.862 1131 L HA 0.378 4.718 4.340 0.000 0.000 0.240 1131 L C 1.043 177.824 176.870 -0.149 0.000 1.283 1131 L CA -0.239 54.511 54.840 -0.150 0.000 1.117 1131 L CB -0.309 41.805 42.059 0.091 0.000 1.444 1131 L HN 0.355 nan 8.230 nan 0.000 0.456 1132 G N -1.238 107.231 108.800 -0.552 0.000 2.684 1132 G HA2 0.239 4.199 3.960 0.000 0.000 0.290 1132 G HA3 0.239 4.199 3.960 0.000 0.000 0.290 1132 G C -0.140 174.358 174.900 -0.669 0.000 1.425 1132 G CA -0.416 44.385 45.100 -0.498 0.000 0.822 1132 G HN -0.073 nan 8.290 nan 0.000 0.482 1133 N N -0.927 117.617 118.700 -0.260 0.000 2.482 1133 N HA 0.214 4.954 4.740 0.000 0.000 0.179 1133 N C 1.095 176.650 175.510 0.076 0.000 1.039 1133 N CA 1.176 54.159 53.050 -0.112 0.000 0.884 1133 N CB 1.396 39.899 38.487 0.027 0.000 1.113 1133 N HN 0.774 nan 8.380 nan 0.000 0.440 1134 G N -0.659 108.251 108.800 0.183 0.000 2.947 1134 G HA2 0.206 4.166 3.960 0.000 0.000 0.115 1134 G HA3 0.206 4.166 3.960 0.000 0.000 0.115 1134 G C 0.687 175.689 174.900 0.171 0.000 1.214 1134 G CA 0.268 45.514 45.100 0.244 0.000 1.324 1134 G HN 0.141 nan 8.290 nan 0.000 0.645 1135 G N 0.158 109.004 108.800 0.077 0.000 2.442 1135 G HA2 -0.003 3.957 3.960 0.000 0.000 0.219 1135 G HA3 -0.003 3.957 3.960 0.000 0.000 0.219 1135 G C 1.799 176.678 174.900 -0.035 0.000 1.141 1135 G CA 1.742 46.846 45.100 0.006 0.000 0.763 1135 G HN 0.622 nan 8.290 nan 0.000 0.554 1136 L N 1.605 122.797 121.223 -0.051 0.000 2.046 1136 L HA 0.153 4.493 4.340 0.000 0.000 0.208 1136 L C 2.684 179.467 176.870 -0.146 0.000 1.077 1136 L CA 2.339 57.063 54.840 -0.193 0.000 0.747 1136 L CB -1.058 40.859 42.059 -0.237 0.000 0.896 1136 L HN 0.159 nan 8.230 nan 0.000 0.432 1137 G N -1.559 107.224 108.800 -0.028 0.000 2.511 1137 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 1137 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 1137 G C 1.711 176.655 174.900 0.073 0.000 1.133 1137 G CA 0.527 45.631 45.100 0.007 0.000 0.792 1137 G HN 0.311 nan 8.290 nan 0.000 0.539 1138 R N -0.033 120.517 120.500 0.084 0.000 2.161 1138 R HA 0.207 4.547 4.340 0.000 0.000 0.213 1138 R C 2.187 178.447 176.300 -0.066 0.000 1.055 1138 R CA 0.460 56.584 56.100 0.041 0.000 0.996 1138 R CB -0.808 29.478 30.300 -0.023 0.000 0.901 1138 R HN 0.304 nan 8.270 nan 0.000 0.456 1139 L N 0.209 121.323 121.223 -0.181 0.000 2.046 1139 L HA 0.056 4.396 4.340 0.000 0.000 0.208 1139 L C 2.015 178.521 176.870 -0.606 0.000 1.077 1139 L CA 2.123 56.699 54.840 -0.440 0.000 0.747 1139 L CB -0.820 40.960 42.059 -0.466 0.000 0.896 1139 L HN 0.229 nan 8.230 nan 0.000 0.432 1140 A N -0.620 121.985 122.820 -0.358 0.000 1.902 1140 A HA -0.108 4.212 4.320 0.000 0.000 0.217 1140 A C 2.446 180.025 177.584 -0.009 0.000 1.181 1140 A CA 1.730 53.593 52.037 -0.291 0.000 0.623 1140 A CB -1.126 17.650 19.000 -0.372 0.000 0.818 1140 A HN 0.548 nan 8.150 nan 0.000 0.443 1141 A N -1.100 121.761 122.820 0.068 0.000 1.902 1141 A HA -0.180 4.140 4.320 0.000 0.000 0.217 1141 A C 2.314 179.953 177.584 0.091 0.000 1.181 1141 A CA 1.707 53.835 52.037 0.151 0.000 0.623 1141 A CB -1.254 17.823 19.000 0.128 0.000 0.818 1141 A HN 0.586 nan 8.150 nan 0.000 0.443 1142 C N -1.627 117.710 119.300 0.062 0.000 2.446 1142 C HA -0.022 4.438 4.460 0.000 0.000 0.277 1142 C C 2.433 177.558 174.990 0.226 0.000 1.275 1142 C CA 0.532 59.626 59.018 0.126 0.000 1.727 1142 C CB -1.532 26.288 27.740 0.133 0.000 2.010 1142 C HN 0.612 nan 8.230 nan 0.000 0.486 1143 F N 1.065 120.987 119.950 -0.047 0.000 2.102 1143 F HA -0.082 4.445 4.527 0.000 0.000 0.298 1143 F C 2.285 178.039 175.800 -0.078 0.000 1.105 1143 F CA 0.996 58.930 58.000 -0.109 0.000 1.239 1143 F CB -1.428 37.370 39.000 -0.337 0.000 0.991 1143 F HN 0.176 nan 8.300 nan 0.000 0.474 1144 L N -0.277 121.036 121.223 0.149 0.000 2.043 1144 L HA -0.286 4.054 4.340 0.000 0.000 0.212 1144 L C 2.159 179.048 176.870 0.032 0.000 1.075 1144 L CA 2.143 57.026 54.840 0.073 0.000 0.752 1144 L CB -0.754 41.354 42.059 0.082 0.000 0.891 1144 L HN 0.137 nan 8.230 nan 0.000 0.432 1145 D N -0.700 119.728 120.400 0.046 0.000 2.097 1145 D HA -0.153 4.487 4.640 0.000 0.000 0.195 1145 D C 2.194 178.514 176.300 0.034 0.000 0.989 1145 D CA 1.479 55.489 54.000 0.017 0.000 0.827 1145 D CB 0.230 41.033 40.800 0.006 0.000 0.966 1145 D HN 0.103 nan 8.370 nan 0.000 0.456 1146 S N -0.427 115.313 115.700 0.067 0.000 2.348 1146 S HA -0.168 4.302 4.470 0.000 0.000 0.221 1146 S C 2.079 176.701 174.600 0.036 0.000 1.033 1146 S CA 1.107 59.341 58.200 0.056 0.000 1.010 1146 S CB -0.332 62.911 63.200 0.072 0.000 0.891 1146 S HN 0.337 nan 8.310 nan 0.000 0.442 1147 M N 1.090 120.706 119.600 0.026 0.000 2.144 1147 M HA -0.183 4.297 4.480 0.000 0.000 0.260 1147 M C 2.386 178.690 176.300 0.008 0.000 1.067 1147 M CA 1.577 56.888 55.300 0.018 0.000 1.095 1147 M CB -0.575 32.018 32.600 -0.012 0.000 1.365 1147 M HN 0.430 nan 8.290 nan 0.000 0.406 1148 A N -0.691 122.128 122.820 -0.000 0.000 1.930 1148 A HA -0.080 4.240 4.320 0.000 0.000 0.215 1148 A C 2.129 179.726 177.584 0.022 0.000 1.176 1148 A CA 1.703 53.739 52.037 -0.002 0.000 0.632 1148 A CB -0.819 18.162 19.000 -0.032 0.000 0.819 1148 A HN 0.409 nan 8.150 nan 0.000 0.445 1149 T N 0.040 114.615 114.554 0.034 0.000 2.904 1149 T HA -0.024 4.326 4.350 0.000 0.000 0.267 1149 T C 1.265 175.996 174.700 0.052 0.000 1.059 1149 T CA 1.009 63.143 62.100 0.057 0.000 1.137 1149 T CB -0.164 68.751 68.868 0.078 0.000 0.879 1149 T HN 0.179 nan 8.240 nan 0.000 0.467 1150 L N 0.412 121.664 121.223 0.047 0.000 2.591 1150 L HA 0.368 4.708 4.340 0.000 0.000 0.228 1150 L C 1.783 178.686 176.870 0.056 0.000 1.133 1150 L CA 0.427 55.296 54.840 0.049 0.000 0.880 1150 L CB -0.941 41.148 42.059 0.049 0.000 1.033 1150 L HN 0.425 nan 8.230 nan 0.000 0.450 1151 G N -0.177 108.659 108.800 0.060 0.000 2.176 1151 G HA2 -0.265 3.696 3.960 0.000 0.000 0.252 1151 G HA3 -0.265 3.696 3.960 0.000 0.000 0.252 1151 G C 0.298 175.262 174.900 0.107 0.000 1.024 1151 G CA 0.134 45.287 45.100 0.089 0.000 0.755 1151 G HN 0.272 nan 8.290 nan 0.000 0.507 1152 L N -0.115 121.142 121.223 0.055 0.000 2.375 1152 L HA 0.597 4.937 4.340 0.000 0.000 0.271 1152 L C 1.260 178.044 176.870 -0.142 0.000 1.107 1152 L CA -0.221 54.612 54.840 -0.011 0.000 0.806 1152 L CB 1.486 43.543 42.059 -0.003 0.000 1.146 1152 L HN 0.277 nan 8.230 nan 0.000 0.447 1153 A N 2.746 125.345 122.820 -0.368 0.000 3.056 1153 A HA 0.563 4.883 4.320 0.000 0.000 0.274 1153 A C 0.302 177.544 177.584 -0.570 0.000 1.661 1153 A CA -0.217 51.266 52.037 -0.925 0.000 1.363 1153 A CB -0.607 17.717 19.000 -1.126 0.000 1.139 1153 A HN 0.700 nan 8.150 nan 0.000 0.598 1154 A N 0.965 123.503 122.820 -0.470 0.000 2.320 1154 A HA 0.822 5.142 4.320 0.000 0.000 0.334 1154 A C -0.945 176.371 177.584 -0.446 0.000 1.147 1154 A CA -0.438 51.378 52.037 -0.368 0.000 0.820 1154 A CB 0.731 19.568 19.000 -0.271 0.000 1.218 1154 A HN 0.604 nan 8.150 nan 0.000 0.482 1155 Y N -0.250 119.900 120.300 -0.250 0.000 2.442 1155 Y HA 0.544 5.095 4.550 0.000 0.000 0.344 1155 Y C 0.751 176.677 175.900 0.043 0.000 0.976 1155 Y CA -0.551 57.479 58.100 -0.118 0.000 1.040 1155 Y CB 2.582 40.999 38.460 -0.071 0.000 1.228 1155 Y HN 0.847 nan 8.280 nan 0.000 0.451 1156 G N 1.890 110.727 108.800 0.062 0.000 2.335 1156 G HA2 0.496 4.456 3.960 0.000 0.000 0.316 1156 G HA3 0.496 4.456 3.960 0.000 0.000 0.316 1156 G C -1.885 172.980 174.900 -0.059 0.000 1.129 1156 G CA -0.336 44.832 45.100 0.114 0.000 0.899 1156 G HN 0.541 nan 8.290 nan 0.000 0.448 1157 Y N 1.208 121.733 120.300 0.375 0.000 2.331 1157 Y HA 0.620 5.170 4.550 0.000 0.000 0.334 1157 Y C 0.750 176.971 175.900 0.535 0.000 0.960 1157 Y CA 0.049 58.356 58.100 0.344 0.000 1.130 1157 Y CB 2.644 41.329 38.460 0.375 0.000 1.164 1157 Y HN 0.876 nan 8.280 nan 0.000 0.458 1158 G N 2.500 111.635 108.800 0.559 0.000 2.706 1158 G HA2 0.574 4.534 3.960 0.000 0.000 0.307 1158 G HA3 0.574 4.534 3.960 0.000 0.000 0.307 1158 G C -1.758 173.383 174.900 0.403 0.000 1.307 1158 G CA -0.882 44.564 45.100 0.577 0.000 0.790 1158 G HN 0.443 nan 8.290 nan 0.000 0.503 1159 I N 0.388 121.083 120.570 0.208 0.000 2.437 1159 I HA 0.423 4.593 4.170 0.000 0.000 0.298 1159 I C 0.604 176.614 176.117 -0.178 0.000 0.984 1159 I CA -0.661 60.638 61.300 -0.003 0.000 1.214 1159 I CB 1.989 39.771 38.000 -0.364 0.000 1.365 1159 I HN 0.376 nan 8.210 nan 0.000 0.469 1160 R N 6.037 126.550 120.500 0.021 0.000 3.235 1160 R HA 0.221 4.561 4.340 0.000 0.000 0.232 1160 R C -1.191 175.193 176.300 0.140 0.000 1.475 1160 R CA -0.520 55.645 56.100 0.108 0.000 1.405 1160 R CB -0.146 30.216 30.300 0.103 0.000 1.266 1160 R HN 0.395 nan 8.270 nan 0.000 0.650 1161 Y N 1.125 121.604 120.300 0.297 0.000 2.620 1161 Y HA -0.114 4.436 4.550 0.000 0.000 0.330 1161 Y C 1.569 177.679 175.900 0.351 0.000 1.186 1161 Y CA 0.263 58.527 58.100 0.272 0.000 1.467 1161 Y CB 0.601 39.195 38.460 0.223 0.000 1.262 1161 Y HN 0.540 nan 8.280 nan 0.000 0.550 1162 E N 2.023 122.419 120.200 0.327 0.000 2.204 1162 E HA -0.143 4.207 4.350 0.000 0.000 0.194 1162 E C -0.821 175.733 176.600 -0.078 0.000 0.989 1162 E CA 0.837 57.236 56.400 -0.002 0.000 0.824 1162 E CB 0.170 29.743 29.700 -0.212 0.000 0.756 1162 E HN 0.654 nan 8.360 nan 0.000 0.477 1163 Y N -0.920 119.625 120.300 0.409 0.000 2.346 1163 Y HA 0.430 4.980 4.550 0.000 0.000 0.332 1163 Y C 0.622 176.612 175.900 0.150 0.000 0.985 1163 Y CA -0.863 57.422 58.100 0.308 0.000 1.112 1163 Y CB 1.951 40.510 38.460 0.165 0.000 1.170 1163 Y HN -0.110 nan 8.280 nan 0.000 0.447 1164 G N 1.706 110.584 108.800 0.131 0.000 2.582 1164 G HA2 0.301 4.261 3.960 0.000 0.000 0.232 1164 G HA3 0.301 4.261 3.960 0.000 0.000 0.232 1164 G C -0.589 174.248 174.900 -0.105 0.000 1.458 1164 G CA -0.732 44.290 45.100 -0.130 0.000 1.062 1164 G HN 0.621 nan 8.290 nan 0.000 0.566 1165 I N 1.205 121.633 120.570 -0.237 0.000 2.668 1165 I HA 0.213 4.383 4.170 0.000 0.000 0.285 1165 I C 0.679 176.679 176.117 -0.195 0.000 1.168 1165 I CA -0.935 60.211 61.300 -0.256 0.000 1.424 1165 I CB -0.415 37.336 38.000 -0.415 0.000 1.377 1165 I HN 0.356 nan 8.210 nan 0.000 0.560 1166 F N 5.310 125.251 119.950 -0.016 0.000 2.657 1166 F HA 0.068 4.595 4.527 0.000 0.000 0.347 1166 F C 0.260 176.090 175.800 0.051 0.000 1.180 1166 F CA -0.356 57.656 58.000 0.020 0.000 1.383 1166 F CB -0.378 38.623 39.000 0.002 0.000 1.077 1166 F HN 0.532 nan 8.300 nan 0.000 0.622 1167 N N 1.588 120.457 118.700 0.283 0.000 2.422 1167 N HA 0.083 4.823 4.740 0.000 0.000 0.264 1167 N C -1.010 174.719 175.510 0.366 0.000 1.063 1167 N CA -0.679 52.496 53.050 0.208 0.000 0.959 1167 N CB 0.726 39.319 38.487 0.177 0.000 1.087 1167 N HN 0.662 nan 8.380 nan 0.000 0.483 1168 Q N 3.411 123.396 119.800 0.308 0.000 2.296 1168 Q HA 0.198 4.538 4.340 0.000 0.000 0.257 1168 Q C -0.954 175.208 176.000 0.271 0.000 0.942 1168 Q CA -0.337 55.701 55.803 0.392 0.000 0.939 1168 Q CB 0.636 29.621 28.738 0.411 0.000 1.198 1168 Q HN 0.340 nan 8.270 nan 0.000 0.429 1169 K N 3.801 124.338 120.400 0.229 0.000 2.295 1169 K HA 0.542 4.862 4.320 0.000 0.000 0.239 1169 K C -0.568 176.134 176.600 0.170 0.000 0.991 1169 K CA -0.969 55.420 56.287 0.171 0.000 0.845 1169 K CB 1.560 34.132 32.500 0.120 0.000 1.197 1169 K HN 0.643 nan 8.250 nan 0.000 0.441 1170 I N 2.862 123.518 120.570 0.144 0.000 2.411 1170 I HA 0.278 4.448 4.170 0.000 0.000 0.284 1170 I C -0.260 175.915 176.117 0.097 0.000 1.012 1170 I CA -0.614 60.761 61.300 0.124 0.000 1.119 1170 I CB 1.186 39.268 38.000 0.136 0.000 1.261 1170 I HN 0.260 nan 8.210 nan 0.000 0.448 1171 R N 4.084 124.653 120.500 0.114 0.000 2.387 1171 R HA 0.214 4.554 4.340 0.000 0.000 0.314 1171 R C -0.200 176.201 176.300 0.168 0.000 0.958 1171 R CA -0.702 55.463 56.100 0.108 0.000 0.846 1171 R CB 1.204 31.555 30.300 0.086 0.000 1.147 1171 R HN 0.584 nan 8.270 nan 0.000 0.447 1172 D N 1.826 122.303 120.400 0.128 0.000 2.708 1172 D HA -0.190 4.450 4.640 0.000 0.000 0.236 1172 D C 0.878 177.232 176.300 0.091 0.000 1.146 1172 D CA 1.792 55.885 54.000 0.155 0.000 0.662 1172 D CB -0.826 40.135 40.800 0.268 0.000 1.059 1172 D HN 1.011 nan 8.370 nan 0.000 0.428 1173 G N -1.933 106.855 108.800 -0.020 0.000 2.175 1173 G HA2 -0.318 3.642 3.960 0.000 0.000 0.265 1173 G HA3 -0.318 3.642 3.960 0.000 0.000 0.265 1173 G C 0.168 174.879 174.900 -0.316 0.000 0.979 1173 G CA 0.551 45.527 45.100 -0.206 0.000 0.663 1173 G HN 0.397 nan 8.290 nan 0.000 0.533 1174 W N 0.217 121.460 121.300 -0.096 0.000 2.606 1174 W HA 0.631 5.291 4.660 0.000 0.000 0.332 1174 W C 0.538 177.007 176.519 -0.083 0.000 1.052 1174 W CA -1.041 56.241 57.345 -0.105 0.000 1.223 1174 W CB 0.984 30.400 29.460 -0.073 0.000 1.383 1174 W HN 0.269 nan 8.180 nan 0.000 0.524 1175 Q N 1.922 121.833 119.800 0.186 0.000 2.337 1175 Q HA 0.375 4.715 4.340 0.000 0.000 0.270 1175 Q C -1.177 174.894 176.000 0.119 0.000 1.002 1175 Q CA 0.267 56.157 55.803 0.146 0.000 0.888 1175 Q CB 0.883 29.714 28.738 0.156 0.000 1.222 1175 Q HN 0.452 nan 8.270 nan 0.000 0.400 1176 V N 3.688 123.666 119.914 0.108 0.000 2.656 1176 V HA 0.322 4.442 4.120 0.000 0.000 0.307 1176 V C -1.113 175.003 176.094 0.038 0.000 1.051 1176 V CA -0.824 61.498 62.300 0.037 0.000 0.893 1176 V CB 2.209 34.062 31.823 0.049 0.000 0.999 1176 V HN 0.887 nan 8.190 nan 0.000 0.426 1177 E N 2.607 122.750 120.200 -0.094 0.000 2.191 1177 E HA 0.625 4.975 4.350 0.000 0.000 0.278 1177 E C -0.846 175.751 176.600 -0.005 0.000 0.972 1177 E CA -0.467 55.858 56.400 -0.126 0.000 0.804 1177 E CB 1.812 31.128 29.700 -0.639 0.000 1.110 1177 E HN 0.615 nan 8.360 nan 0.000 0.394 1178 E N 0.886 121.163 120.200 0.128 0.000 2.266 1178 E HA 0.537 4.887 4.350 0.000 0.000 0.268 1178 E C -1.035 175.638 176.600 0.123 0.000 0.879 1178 E CA -1.240 55.216 56.400 0.093 0.000 0.762 1178 E CB 1.981 31.747 29.700 0.109 0.000 1.199 1178 E HN 0.582 nan 8.360 nan 0.000 0.422 1179 A N 2.103 124.953 122.820 0.050 0.000 2.546 1179 A HA -0.022 4.298 4.320 0.000 0.000 0.243 1179 A C 0.068 177.776 177.584 0.206 0.000 1.063 1179 A CA 0.190 52.251 52.037 0.039 0.000 0.757 1179 A CB -0.096 18.826 19.000 -0.132 0.000 0.991 1179 A HN 0.591 nan 8.150 nan 0.000 0.503 1180 D N 2.011 122.597 120.400 0.310 0.000 2.563 1180 D HA 0.143 4.783 4.640 0.000 0.000 0.222 1180 D C -0.265 176.334 176.300 0.497 0.000 1.145 1180 D CA -0.218 53.981 54.000 0.332 0.000 1.001 1180 D CB 0.186 41.124 40.800 0.230 0.000 1.049 1180 D HN 0.381 nan 8.370 nan 0.000 0.515 1181 D N 3.141 123.786 120.400 0.407 0.000 2.848 1181 D HA -0.062 4.578 4.640 0.000 0.000 0.232 1181 D C 1.093 177.444 176.300 0.086 0.000 1.107 1181 D CA -0.373 53.762 54.000 0.225 0.000 1.020 1181 D CB -0.253 40.650 40.800 0.171 0.000 1.148 1181 D HN 0.581 nan 8.370 nan 0.000 0.453 1182 W N 1.258 122.535 121.300 -0.039 0.000 2.611 1182 W HA -0.043 4.617 4.660 0.000 0.000 0.251 1182 W C 0.006 176.505 176.519 -0.034 0.000 1.265 1182 W CA 0.101 57.434 57.345 -0.019 0.000 1.295 1182 W CB -0.686 28.790 29.460 0.026 0.000 1.129 1182 W HN 0.178 nan 8.180 nan 0.000 0.630 1183 L N 0.793 121.575 121.223 -0.736 0.000 2.728 1183 L HA 0.230 4.570 4.340 0.000 0.000 0.238 1183 L C 2.650 179.280 176.870 -0.399 0.000 1.143 1183 L CA -0.173 54.221 54.840 -0.742 0.000 0.937 1183 L CB -0.454 41.028 42.059 -0.961 0.000 1.225 1183 L HN -0.133 nan 8.230 nan 0.000 0.507 1184 R N 0.789 121.059 120.500 -0.384 0.000 2.113 1184 R HA -0.217 4.123 4.340 0.000 0.000 0.244 1184 R C 1.368 177.483 176.300 -0.309 0.000 1.142 1184 R CA 2.144 57.993 56.100 -0.417 0.000 0.953 1184 R CB -0.181 29.724 30.300 -0.658 0.000 0.860 1184 R HN 0.390 nan 8.270 nan 0.000 0.438 1185 Y N -0.649 119.679 120.300 0.047 0.000 2.457 1185 Y HA 0.316 4.866 4.550 0.000 0.000 0.263 1185 Y C 0.810 176.775 175.900 0.109 0.000 1.164 1185 Y CA -0.273 57.894 58.100 0.110 0.000 1.274 1185 Y CB 1.092 39.704 38.460 0.253 0.000 1.097 1185 Y HN 0.402 nan 8.280 nan 0.000 0.523 1186 G N 1.552 110.436 108.800 0.140 0.000 2.629 1186 G HA2 -0.207 3.753 3.960 0.000 0.000 0.686 1186 G HA3 -0.207 3.753 3.960 0.000 0.000 0.686 1186 G C -1.630 173.399 174.900 0.216 0.000 1.232 1186 G CA -0.981 44.167 45.100 0.080 0.000 0.803 1186 G HN 0.188 nan 8.290 nan 0.000 0.638 1187 N N 1.356 120.112 118.700 0.094 0.000 2.524 1187 N HA 0.581 5.321 4.740 0.000 0.000 0.261 1187 N C -1.044 174.518 175.510 0.086 0.000 0.998 1187 N CA -2.148 50.993 53.050 0.151 0.000 0.915 1187 N CB 2.236 40.740 38.487 0.028 0.000 1.187 1187 N HN 0.252 nan 8.380 nan 0.000 0.507 1188 P HA 0.092 nan 4.420 nan 0.000 0.245 1188 P C 0.182 177.106 177.300 -0.628 0.000 1.212 1188 P CA 0.443 63.260 63.100 -0.471 0.000 0.774 1188 P CB -0.079 31.139 31.700 -0.803 0.000 0.999 1189 W N 1.508 122.828 121.300 0.034 0.000 3.278 1189 W HA 0.169 4.829 4.660 0.000 0.000 0.308 1189 W C 0.853 177.421 176.519 0.082 0.000 1.253 1189 W CA -0.462 56.899 57.345 0.026 0.000 1.759 1189 W CB 0.248 29.725 29.460 0.029 0.000 1.093 1189 W HN 0.029 nan 8.180 nan 0.000 0.648 1190 E N 0.649 121.008 120.200 0.266 0.000 2.263 1190 E HA 0.595 4.945 4.350 0.000 0.000 0.264 1190 E C -0.901 175.869 176.600 0.284 0.000 0.923 1190 E CA -1.183 55.395 56.400 0.296 0.000 0.802 1190 E CB 1.847 31.719 29.700 0.286 0.000 1.228 1190 E HN -0.362 nan 8.360 nan 0.000 0.417 1191 K N 1.415 121.996 120.400 0.302 0.000 2.616 1191 K HA 0.190 4.510 4.320 0.000 0.000 0.241 1191 K C -1.211 175.420 176.600 0.053 0.000 0.961 1191 K CA -0.524 55.874 56.287 0.184 0.000 0.942 1191 K CB 1.584 34.182 32.500 0.163 0.000 1.153 1191 K HN 0.668 nan 8.250 nan 0.000 0.452 1192 S N 3.768 119.420 115.700 -0.079 0.000 2.549 1192 S HA 0.284 4.754 4.470 0.000 0.000 0.286 1192 S C -0.070 174.370 174.600 -0.266 0.000 1.314 1192 S CA -0.412 57.463 58.200 -0.542 0.000 1.062 1192 S CB 0.578 63.350 63.200 -0.715 0.000 0.865 1192 S HN 0.422 nan 8.310 nan 0.000 0.498 1193 R N 3.174 123.530 120.500 -0.240 0.000 2.587 1193 R HA 0.270 4.610 4.340 0.000 0.000 0.283 1193 R C -2.492 173.811 176.300 0.004 0.000 1.472 1193 R CA -2.017 54.061 56.100 -0.037 0.000 1.578 1193 R CB 0.427 30.782 30.300 0.091 0.000 1.130 1193 R HN 0.494 nan 8.270 nan 0.000 0.602 1194 P HA -0.208 nan 4.420 nan 0.000 0.219 1194 P C 1.232 178.527 177.300 -0.008 0.000 1.146 1194 P CA 1.088 64.173 63.100 -0.024 0.000 0.808 1194 P CB 0.295 31.969 31.700 -0.044 0.000 0.779 1195 E N -0.640 119.515 120.200 -0.075 0.000 2.409 1195 E HA -0.152 4.198 4.350 0.000 0.000 0.198 1195 E C 0.660 177.089 176.600 -0.284 0.000 1.024 1195 E CA 1.022 57.294 56.400 -0.213 0.000 0.861 1195 E CB -0.832 28.657 29.700 -0.351 0.000 0.788 1195 E HN 0.271 nan 8.360 nan 0.000 0.521 1196 F N 0.908 120.880 119.950 0.036 0.000 2.641 1196 F HA 0.333 4.860 4.527 -0.000 0.000 0.302 1196 F C 1.064 176.987 175.800 0.205 0.000 1.098 1196 F CA -0.541 57.521 58.000 0.105 0.000 1.318 1196 F CB 0.096 39.151 39.000 0.092 0.000 1.035 1196 F HN -0.081 nan 8.300 nan 0.000 0.551 1197 M N 1.583 121.347 119.600 0.273 0.000 2.250 1197 M HA 0.226 4.706 4.480 0.000 0.000 0.337 1197 M C -0.924 175.489 176.300 0.189 0.000 1.161 1197 M CA 0.880 56.338 55.300 0.263 0.000 1.088 1197 M CB 0.421 33.111 32.600 0.150 0.000 1.639 1197 M HN 0.075 nan 8.290 nan 0.000 0.447 1198 L N 5.699 126.995 121.223 0.121 0.000 2.376 1198 L HA 0.707 5.047 4.340 0.000 0.000 0.258 1198 L C -2.435 174.378 176.870 -0.095 0.000 1.013 1198 L CA -2.010 52.813 54.840 -0.029 0.000 0.822 1198 L CB 2.395 44.354 42.059 -0.168 0.000 1.388 1198 L HN 0.541 nan 8.230 nan 0.000 0.413 1199 P HA 0.398 nan 4.420 nan 0.000 0.296 1199 P C -1.341 175.750 177.300 -0.349 0.000 1.301 1199 P CA -0.550 62.426 63.100 -0.207 0.000 0.862 1199 P CB 2.160 33.740 31.700 -0.200 0.000 1.046 1200 V N 3.553 123.243 119.914 -0.373 0.000 2.680 1200 V HA 0.395 4.515 4.120 0.000 0.000 0.309 1200 V C 0.061 175.821 176.094 -0.555 0.000 1.052 1200 V CA -0.614 61.432 62.300 -0.424 0.000 0.908 1200 V CB 1.622 33.277 31.823 -0.280 0.000 1.001 1200 V HN 0.598 nan 8.190 nan 0.000 0.431 1201 H N 3.272 122.137 119.070 -0.342 0.000 2.492 1201 H HA 0.632 5.188 4.556 0.000 0.000 0.345 1201 H C -1.450 173.554 175.328 -0.541 0.000 1.136 1201 H CA -0.297 55.474 56.048 -0.461 0.000 1.202 1201 H CB 1.933 31.180 29.762 -0.857 0.000 1.524 1201 H HN 0.470 nan 8.280 nan 0.000 0.506 1202 F N 0.848 120.830 119.950 0.053 0.000 2.588 1202 F HA 0.250 4.777 4.527 0.000 0.000 0.310 1202 F C -0.046 175.825 175.800 0.118 0.000 1.082 1202 F CA -0.467 57.548 58.000 0.025 0.000 0.929 1202 F CB 1.054 39.952 39.000 -0.170 0.000 1.254 1202 F HN 0.662 nan 8.300 nan 0.000 0.455 1203 Y N 0.399 121.004 120.300 0.509 0.000 2.904 1203 Y HA -0.066 4.484 4.550 0.000 0.000 0.466 1203 Y C 1.446 177.617 175.900 0.451 0.000 1.202 1203 Y CA 0.703 59.025 58.100 0.369 0.000 2.491 1203 Y CB -1.764 36.836 38.460 0.233 0.000 1.237 1203 Y HN 1.202 nan 8.280 nan 0.000 0.633 1204 G N 0.832 109.921 108.800 0.481 0.000 2.697 1204 G HA2 0.000 3.960 3.960 0.000 0.000 0.240 1204 G HA3 0.000 3.960 3.960 0.000 0.000 0.240 1204 G C -0.903 174.214 174.900 0.362 0.000 1.346 1204 G CA 0.397 45.693 45.100 0.327 0.000 0.887 1204 G HN 1.170 nan 8.290 nan 0.000 0.569 1205 K N -1.827 118.760 120.400 0.312 0.000 2.512 1205 K HA 0.723 5.043 4.320 0.000 0.000 0.263 1205 K C -0.791 175.928 176.600 0.197 0.000 0.966 1205 K CA -1.009 55.408 56.287 0.216 0.000 0.851 1205 K CB 2.244 34.818 32.500 0.124 0.000 1.395 1205 K HN 0.739 nan 8.250 nan 0.000 0.440 1206 V N 1.105 121.049 119.914 0.051 0.000 2.498 1206 V HA 0.218 4.338 4.120 0.000 0.000 0.279 1206 V C -0.087 175.911 176.094 -0.160 0.000 1.048 1206 V CA -0.352 61.894 62.300 -0.091 0.000 0.967 1206 V CB 0.883 32.590 31.823 -0.194 0.000 0.988 1206 V HN 0.876 nan 8.190 nan 0.000 0.473 1207 E N 3.093 123.163 120.200 -0.216 0.000 2.176 1207 E HA 0.359 4.709 4.350 0.000 0.000 0.267 1207 E C -0.992 175.425 176.600 -0.305 0.000 0.893 1207 E CA -0.674 55.625 56.400 -0.168 0.000 0.761 1207 E CB 0.813 30.481 29.700 -0.053 0.000 1.133 1207 E HN 0.744 nan 8.360 nan 0.000 0.409 1208 H N 4.085 123.166 119.070 0.018 0.000 2.683 1208 H HA 0.209 4.765 4.556 0.000 0.000 0.270 1208 H C -0.065 175.268 175.328 0.008 0.000 1.201 1208 H CA -0.206 55.847 56.048 0.008 0.000 1.277 1208 H CB 0.600 30.361 29.762 -0.002 0.000 1.400 1208 H HN 0.613 nan 8.280 nan 0.000 0.504 1209 T N -0.819 113.789 114.554 0.089 0.000 2.864 1209 T HA 0.107 4.457 4.350 0.000 0.000 0.276 1209 T C 1.336 176.069 174.700 0.055 0.000 1.006 1209 T CA -0.779 61.356 62.100 0.059 0.000 0.970 1209 T CB 0.856 69.744 68.868 0.034 0.000 1.420 1209 T HN 0.327 nan 8.240 nan 0.000 0.601 1210 N N 0.277 119.000 118.700 0.038 0.000 2.300 1210 N HA -0.024 4.716 4.740 0.000 0.000 0.179 1210 N C 1.668 177.197 175.510 0.033 0.000 1.016 1210 N CA 1.205 54.274 53.050 0.032 0.000 0.876 1210 N CB -0.954 37.547 38.487 0.024 0.000 0.979 1210 N HN 0.791 nan 8.380 nan 0.000 0.432 1211 T N -3.657 110.915 114.554 0.031 0.000 3.113 1211 T HA 0.427 4.777 4.350 0.000 0.000 0.263 1211 T C 1.075 175.797 174.700 0.037 0.000 1.143 1211 T CA 0.163 62.281 62.100 0.030 0.000 1.090 1211 T CB -0.474 68.409 68.868 0.025 0.000 0.922 1211 T HN 0.522 nan 8.240 nan 0.000 0.521 1212 G N 0.688 109.515 108.800 0.045 0.000 2.337 1212 G HA2 0.061 4.021 3.960 0.000 0.000 0.197 1212 G HA3 0.061 4.021 3.960 0.000 0.000 0.197 1212 G C -0.714 174.222 174.900 0.059 0.000 1.238 1212 G CA -0.558 44.578 45.100 0.060 0.000 1.119 1212 G HN 0.414 nan 8.290 nan 0.000 0.514 1213 T N 2.518 117.103 114.554 0.052 0.000 2.771 1213 T HA 0.593 4.943 4.350 0.000 0.000 0.291 1213 T C -0.281 174.394 174.700 -0.041 0.000 0.954 1213 T CA -0.318 61.763 62.100 -0.031 0.000 1.045 1213 T CB 1.255 70.114 68.868 -0.015 0.000 0.917 1213 T HN 0.530 nan 8.240 nan 0.000 0.484 1214 K N 2.500 122.859 120.400 -0.069 0.000 2.483 1214 K HA 0.156 4.476 4.320 0.000 0.000 0.256 1214 K C -0.989 175.643 176.600 0.054 0.000 0.961 1214 K CA -0.678 55.606 56.287 -0.005 0.000 0.873 1214 K CB 1.716 34.211 32.500 -0.008 0.000 1.107 1214 K HN 0.607 nan 8.250 nan 0.000 0.432 1215 W N 6.497 127.712 121.300 -0.141 0.000 2.546 1215 W HA 0.227 4.887 4.660 0.000 0.000 0.323 1215 W C -0.397 176.051 176.519 -0.119 0.000 1.272 1215 W CA -1.393 55.872 57.345 -0.134 0.000 1.404 1215 W CB -0.522 28.848 29.460 -0.151 0.000 1.411 1215 W HN 0.592 nan 8.180 nan 0.000 0.480 1216 I N 2.673 123.309 120.570 0.110 0.000 2.846 1216 I HA 0.537 4.707 4.170 0.000 0.000 0.307 1216 I C 0.049 176.155 176.117 -0.017 0.000 1.053 1216 I CA -0.753 60.531 61.300 -0.026 0.000 1.050 1216 I CB 2.082 40.084 38.000 0.004 0.000 1.239 1216 I HN 0.258 nan 8.210 nan 0.000 0.439 1217 D N 1.118 121.492 120.400 -0.042 0.000 2.800 1217 D HA -0.153 4.487 4.640 0.000 0.000 0.232 1217 D C 0.168 176.474 176.300 0.009 0.000 1.137 1217 D CA 1.373 55.373 54.000 0.001 0.000 0.718 1217 D CB -1.697 39.127 40.800 0.040 0.000 1.084 1217 D HN 1.048 nan 8.370 nan 0.000 0.432 1218 T N -3.079 111.421 114.554 -0.091 0.000 2.824 1218 T HA 0.480 4.830 4.350 0.000 0.000 0.277 1218 T C 0.399 175.144 174.700 0.074 0.000 0.975 1218 T CA -0.625 61.433 62.100 -0.070 0.000 0.966 1218 T CB 2.086 70.683 68.868 -0.451 0.000 1.054 1218 T HN 0.058 nan 8.240 nan 0.000 0.533 1219 Q N 0.287 120.195 119.800 0.180 0.000 2.282 1219 Q HA 0.596 4.936 4.340 0.000 0.000 0.260 1219 Q C -1.151 174.947 176.000 0.164 0.000 0.964 1219 Q CA -0.886 55.042 55.803 0.208 0.000 0.880 1219 Q CB 2.032 30.975 28.738 0.341 0.000 1.286 1219 Q HN 0.543 nan 8.270 nan 0.000 0.445 1220 V N 2.855 122.820 119.914 0.084 0.000 2.547 1220 V HA 0.482 4.602 4.120 0.000 0.000 0.299 1220 V C -0.482 175.654 176.094 0.071 0.000 1.040 1220 V CA -0.639 61.642 62.300 -0.032 0.000 0.913 1220 V CB 1.871 33.623 31.823 -0.118 0.000 0.992 1220 V HN 0.485 nan 8.190 nan 0.000 0.449 1221 V N 5.621 125.593 119.914 0.096 0.000 2.525 1221 V HA 0.417 4.537 4.120 0.000 0.000 0.299 1221 V C -0.148 176.048 176.094 0.170 0.000 1.034 1221 V CA -0.527 61.888 62.300 0.191 0.000 0.863 1221 V CB 1.827 33.867 31.823 0.362 0.000 0.999 1221 V HN 0.653 nan 8.190 nan 0.000 0.423 1222 L N 3.699 125.015 121.223 0.156 0.000 2.439 1222 L HA 0.602 4.942 4.340 0.000 0.000 0.269 1222 L C 0.613 177.662 176.870 0.298 0.000 1.179 1222 L CA -0.049 54.883 54.840 0.152 0.000 0.828 1222 L CB 0.841 42.980 42.059 0.132 0.000 1.106 1222 L HN 0.751 nan 8.230 nan 0.000 0.467 1223 A N 3.983 126.932 122.820 0.215 0.000 2.360 1223 A HA 0.515 4.835 4.320 0.000 0.000 0.309 1223 A C -0.892 177.013 177.584 0.535 0.000 1.311 1223 A CA -0.452 51.766 52.037 0.301 0.000 0.805 1223 A CB 0.760 19.510 19.000 -0.417 0.000 1.144 1223 A HN 0.456 nan 8.150 nan 0.000 0.486 1224 L N 5.586 127.151 121.223 0.570 0.000 2.260 1224 L HA 0.567 4.907 4.340 0.000 0.000 0.289 1224 L C -2.355 174.750 176.870 0.391 0.000 1.057 1224 L CA -2.133 52.960 54.840 0.421 0.000 0.811 1224 L CB 0.924 43.158 42.059 0.292 0.000 1.184 1224 L HN 0.375 nan 8.230 nan 0.000 0.429 1225 P HA 0.244 nan 4.420 nan 0.000 0.286 1225 P C -1.790 175.336 177.300 -0.290 0.000 1.261 1225 P CA -0.184 62.672 63.100 -0.407 0.000 0.821 1225 P CB 0.705 31.824 31.700 -0.969 0.000 1.013 1226 Y N 0.440 120.622 120.300 -0.197 0.000 2.361 1226 Y HA 0.303 4.853 4.550 0.000 0.000 0.337 1226 Y C 0.209 176.064 175.900 -0.074 0.000 0.965 1226 Y CA -0.513 57.550 58.100 -0.062 0.000 1.091 1226 Y CB 1.654 40.122 38.460 0.012 0.000 1.182 1226 Y HN 0.213 nan 8.280 nan 0.000 0.450 1227 D N 2.083 122.556 120.400 0.121 0.000 2.198 1227 D HA 0.368 5.008 4.640 0.000 0.000 0.245 1227 D C -0.652 175.870 176.300 0.370 0.000 1.079 1227 D CA -0.121 53.991 54.000 0.188 0.000 0.854 1227 D CB 1.829 42.737 40.800 0.180 0.000 1.148 1227 D HN 0.385 nan 8.370 nan 0.000 0.456 1228 T N 3.344 118.043 114.554 0.242 0.000 2.824 1228 T HA 0.443 4.793 4.350 0.000 0.000 0.282 1228 T C -2.547 172.040 174.700 -0.189 0.000 0.993 1228 T CA -1.473 60.684 62.100 0.095 0.000 0.967 1228 T CB 2.082 70.979 68.868 0.049 0.000 0.960 1228 T HN 0.164 nan 8.240 nan 0.000 0.441 1229 P HA 0.266 nan 4.420 nan 0.000 0.276 1229 P C -0.874 176.090 177.300 -0.560 0.000 1.235 1229 P CA -0.338 62.056 63.100 -1.177 0.000 0.772 1229 P CB 0.773 31.521 31.700 -1.586 0.000 0.871 1230 V N 6.139 125.785 119.914 -0.445 0.000 2.266 1230 V HA 0.231 4.352 4.120 0.000 0.000 0.271 1230 V C -1.947 174.012 176.094 -0.224 0.000 1.032 1230 V CA -1.930 60.211 62.300 -0.265 0.000 0.806 1230 V CB 1.131 32.844 31.823 -0.183 0.000 1.052 1230 V HN 0.538 nan 8.190 nan 0.000 0.449 1231 P HA 0.214 nan 4.420 nan 0.000 0.276 1231 P C 0.425 177.678 177.300 -0.077 0.000 1.243 1231 P CA 0.380 63.395 63.100 -0.142 0.000 0.768 1231 P CB 1.464 33.083 31.700 -0.136 0.000 0.856 1232 G N 2.789 111.560 108.800 -0.048 0.000 2.572 1232 G HA2 0.143 4.103 3.960 0.000 0.000 0.261 1232 G HA3 0.143 4.103 3.960 0.000 0.000 0.261 1232 G C -1.183 173.731 174.900 0.025 0.000 1.197 1232 G CA -0.395 44.705 45.100 -0.000 0.000 0.870 1232 G HN 0.481 nan 8.290 nan 0.000 0.548 1233 Y N 1.978 122.243 120.300 -0.058 0.000 2.436 1233 Y HA 0.257 4.807 4.550 0.000 0.000 0.343 1233 Y C 0.993 176.860 175.900 -0.055 0.000 1.008 1233 Y CA -0.944 57.117 58.100 -0.064 0.000 1.241 1233 Y CB 0.356 38.774 38.460 -0.069 0.000 1.153 1233 Y HN 0.475 nan 8.280 nan 0.000 0.521 1234 M N 5.560 124.804 119.600 -0.593 0.000 2.405 1234 M HA -0.316 4.164 4.480 0.000 0.000 0.181 1234 M C -0.358 175.805 176.300 -0.228 0.000 0.878 1234 M CA 1.189 56.202 55.300 -0.479 0.000 0.537 1234 M CB -1.816 30.358 32.600 -0.710 0.000 1.090 1234 M HN 0.876 nan 8.290 nan 0.000 0.874 1235 N N -0.980 117.639 118.700 -0.135 0.000 2.073 1235 N HA 0.084 4.824 4.740 0.000 0.000 0.227 1235 N C 0.234 175.709 175.510 -0.058 0.000 1.367 1235 N CA 0.246 53.251 53.050 -0.075 0.000 0.775 1235 N CB 0.266 38.732 38.487 -0.035 0.000 1.234 1235 N HN 0.365 nan 8.380 nan 0.000 0.512 1236 N N -0.939 117.724 118.700 -0.062 0.000 2.972 1236 N HA -0.132 4.608 4.740 0.000 0.000 0.225 1236 N C -1.001 174.483 175.510 -0.044 0.000 0.883 1236 N CA 1.622 54.642 53.050 -0.052 0.000 1.010 1236 N CB -1.537 36.913 38.487 -0.062 0.000 1.052 1236 N HN 0.494 nan 8.380 nan 0.000 0.598 1237 T N 0.880 115.414 114.554 -0.034 0.000 2.799 1237 T HA 0.622 4.972 4.350 0.000 0.000 0.286 1237 T C 0.193 174.876 174.700 -0.028 0.000 0.973 1237 T CA -0.362 61.729 62.100 -0.016 0.000 1.035 1237 T CB 2.571 71.451 68.868 0.020 0.000 0.932 1237 T HN -0.071 nan 8.240 nan 0.000 0.469 1238 V N 4.360 124.263 119.914 -0.018 0.000 2.462 1238 V HA 0.319 4.439 4.120 0.000 0.000 0.288 1238 V C 0.050 176.126 176.094 -0.030 0.000 1.020 1238 V CA -1.003 61.242 62.300 -0.091 0.000 0.857 1238 V CB 1.154 32.901 31.823 -0.127 0.000 1.013 1238 V HN 0.838 nan 8.190 nan 0.000 0.431 1239 N N 1.881 120.530 118.700 -0.085 0.000 2.431 1239 N HA 0.622 5.362 4.740 0.000 0.000 0.289 1239 N C -0.368 175.102 175.510 -0.066 0.000 1.277 1239 N CA -0.561 52.452 53.050 -0.060 0.000 0.972 1239 N CB 0.950 39.357 38.487 -0.133 0.000 1.143 1239 N HN 0.565 nan 8.380 nan 0.000 0.578 1240 T N 0.829 115.324 114.554 -0.098 0.000 2.876 1240 T HA 0.372 4.722 4.350 0.000 0.000 0.289 1240 T C -0.922 173.716 174.700 -0.104 0.000 1.014 1240 T CA -0.511 61.608 62.100 0.033 0.000 0.986 1240 T CB 1.241 70.247 68.868 0.230 0.000 1.021 1240 T HN 0.321 nan 8.240 nan 0.000 0.458 1241 M N 3.298 122.825 119.600 -0.122 0.000 2.078 1241 M HA 0.523 5.003 4.480 0.000 0.000 0.320 1241 M C -0.692 175.451 176.300 -0.261 0.000 0.969 1241 M CA -0.731 54.407 55.300 -0.272 0.000 0.929 1241 M CB 0.849 33.254 32.600 -0.326 0.000 1.504 1241 M HN 0.447 nan 8.290 nan 0.000 0.419 1242 R N 4.499 124.745 120.500 -0.424 0.000 2.229 1242 R HA 0.540 4.880 4.340 0.000 0.000 0.332 1242 R C -1.839 174.215 176.300 -0.410 0.000 0.989 1242 R CA -0.550 55.261 56.100 -0.482 0.000 0.842 1242 R CB 0.790 30.628 30.300 -0.770 0.000 1.119 1242 R HN 0.621 nan 8.270 nan 0.000 0.456 1243 L N 5.416 126.482 121.223 -0.262 0.000 2.322 1243 L HA 0.466 4.806 4.340 0.000 0.000 0.281 1243 L C -0.994 175.852 176.870 -0.041 0.000 1.014 1243 L CA -0.592 54.206 54.840 -0.071 0.000 0.815 1243 L CB 1.153 43.240 42.059 0.047 0.000 1.247 1243 L HN 0.603 nan 8.230 nan 0.000 0.421 1244 W N 2.109 123.553 121.300 0.240 0.000 2.438 1244 W HA 0.628 5.288 4.660 0.000 0.000 0.324 1244 W C 0.443 177.222 176.519 0.433 0.000 1.119 1244 W CA -0.291 57.239 57.345 0.308 0.000 1.221 1244 W CB 1.506 31.048 29.460 0.136 0.000 1.253 1244 W HN 0.371 nan 8.180 nan 0.000 0.555 1245 S N 1.311 117.443 115.700 0.721 0.000 2.482 1245 S HA 0.752 5.222 4.470 0.000 0.000 0.303 1245 S C -0.482 174.453 174.600 0.558 0.000 1.091 1245 S CA -0.712 57.796 58.200 0.513 0.000 1.057 1245 S CB 0.828 64.282 63.200 0.422 0.000 1.031 1245 S HN 0.492 nan 8.310 nan 0.000 0.485 1246 A N 4.560 127.515 122.820 0.224 0.000 2.328 1246 A HA 0.731 5.051 4.320 0.000 0.000 0.284 1246 A C 0.036 177.701 177.584 0.136 0.000 1.160 1246 A CA -0.439 51.651 52.037 0.090 0.000 0.818 1246 A CB 0.403 19.167 19.000 -0.393 0.000 1.087 1246 A HN 0.763 nan 8.150 nan 0.000 0.504 1247 R N 0.895 121.503 120.500 0.180 0.000 2.771 1247 R HA 0.633 4.973 4.340 0.000 0.000 0.274 1247 R C -0.581 175.786 176.300 0.112 0.000 0.987 1247 R CA -0.600 55.581 56.100 0.135 0.000 0.908 1247 R CB 2.386 32.779 30.300 0.154 0.000 1.213 1247 R HN 0.831 nan 8.270 nan 0.000 0.468 1248 A N 3.384 126.252 122.820 0.081 0.000 2.354 1248 A HA 0.552 4.872 4.320 0.000 0.000 0.269 1248 A C -1.883 175.739 177.584 0.064 0.000 1.109 1248 A CA -1.088 50.990 52.037 0.068 0.000 0.800 1248 A CB -0.021 19.007 19.000 0.048 0.000 1.045 1248 A HN 0.408 nan 8.150 nan 0.000 0.489 1261 D N -0.882 119.545 120.400 0.045 0.000 2.312 1261 D HA 0.357 4.997 4.640 0.000 0.000 0.252 1261 D C 0.999 177.347 176.300 0.080 0.000 1.150 1261 D CA -0.440 53.597 54.000 0.062 0.000 0.870 1261 D CB 0.927 41.748 40.800 0.036 0.000 1.153 1261 D HN 0.369 nan 8.370 nan 0.000 0.457 1262 Y N 5.517 125.822 120.300 0.008 0.000 2.049 1262 Y HA -0.213 4.337 4.550 0.000 0.000 0.277 1262 Y C 1.681 177.588 175.900 0.011 0.000 1.143 1262 Y CA 1.509 59.615 58.100 0.010 0.000 1.115 1262 Y CB -0.262 38.204 38.460 0.009 0.000 0.975 1262 Y HN 0.465 nan 8.280 nan 0.000 0.487 1263 I N 0.692 121.152 120.570 -0.182 0.000 2.113 1263 I HA -0.358 3.812 4.170 0.000 0.000 0.242 1263 I C 2.443 178.430 176.117 -0.217 0.000 1.064 1263 I CA 2.060 63.198 61.300 -0.271 0.000 1.320 1263 I CB -1.547 36.432 38.000 -0.034 0.000 1.028 1263 I HN 0.395 nan 8.210 nan 0.000 0.406 1264 Q N 0.947 120.683 119.800 -0.106 0.000 2.096 1264 Q HA -0.132 4.208 4.340 0.000 0.000 0.204 1264 Q C 2.227 178.173 176.000 -0.090 0.000 0.982 1264 Q CA 2.350 58.109 55.803 -0.073 0.000 0.850 1264 Q CB -0.428 28.291 28.738 -0.031 0.000 0.901 1264 Q HN 0.497 nan 8.270 nan 0.000 0.422 1265 A N -0.859 121.896 122.820 -0.108 0.000 1.933 1265 A HA -0.119 4.201 4.320 0.000 0.000 0.218 1265 A C 2.258 179.766 177.584 -0.127 0.000 1.175 1265 A CA 1.597 53.581 52.037 -0.089 0.000 0.628 1265 A CB -0.664 18.302 19.000 -0.056 0.000 0.814 1265 A HN 0.267 nan 8.150 nan 0.000 0.444 1266 V N 0.147 119.916 119.914 -0.241 0.000 2.323 1266 V HA -0.214 3.906 4.120 0.000 0.000 0.244 1266 V C 2.533 178.555 176.094 -0.121 0.000 1.041 1266 V CA 1.768 63.936 62.300 -0.219 0.000 1.025 1266 V CB -0.713 30.892 31.823 -0.363 0.000 0.656 1266 V HN 0.573 nan 8.190 nan 0.000 0.451 1267 L N -0.158 120.997 121.223 -0.114 0.000 2.083 1267 L HA -0.189 4.151 4.340 0.000 0.000 0.209 1267 L C 2.137 178.983 176.870 -0.040 0.000 1.083 1267 L CA 1.461 56.263 54.840 -0.062 0.000 0.752 1267 L CB -0.818 41.209 42.059 -0.053 0.000 0.899 1267 L HN 0.327 nan 8.230 nan 0.000 0.433 1268 D N 0.087 120.462 120.400 -0.043 0.000 2.384 1268 D HA -0.119 4.521 4.640 0.000 0.000 0.222 1268 D C 2.131 178.424 176.300 -0.012 0.000 0.976 1268 D CA 0.624 54.610 54.000 -0.023 0.000 0.915 1268 D CB -0.094 40.693 40.800 -0.021 0.000 0.896 1268 D HN 0.226 nan 8.370 nan 0.000 0.523 1269 R N 0.032 120.522 120.500 -0.016 0.000 2.237 1269 R HA -0.001 4.339 4.340 0.000 0.000 0.219 1269 R C 1.598 177.903 176.300 0.009 0.000 1.080 1269 R CA 0.608 56.708 56.100 -0.000 0.000 0.995 1269 R CB -0.179 30.120 30.300 -0.002 0.000 0.875 1269 R HN 0.362 nan 8.270 nan 0.000 0.462 1270 N N 0.511 119.213 118.700 0.005 0.000 2.289 1270 N HA -0.140 4.600 4.740 0.000 0.000 0.184 1270 N C 1.466 176.983 175.510 0.012 0.000 1.016 1270 N CA 0.697 53.755 53.050 0.013 0.000 0.872 1270 N CB -0.073 38.421 38.487 0.012 0.000 0.973 1270 N HN 0.183 nan 8.380 nan 0.000 0.433 1271 L N 0.588 121.815 121.223 0.007 0.000 2.083 1271 L HA -0.106 4.234 4.340 0.000 0.000 0.209 1271 L C 2.597 179.463 176.870 -0.008 0.000 1.083 1271 L CA 0.913 55.755 54.840 0.004 0.000 0.752 1271 L CB -0.571 41.492 42.059 0.007 0.000 0.899 1271 L HN 0.202 nan 8.230 nan 0.000 0.433 1272 A N 0.257 123.077 122.820 0.001 0.000 1.872 1272 A HA -0.154 4.166 4.320 0.000 0.000 0.214 1272 A C 2.121 179.683 177.584 -0.036 0.000 1.187 1272 A CA 1.191 53.223 52.037 -0.008 0.000 0.614 1272 A CB -0.373 18.648 19.000 0.035 0.000 0.826 1272 A HN 0.427 nan 8.150 nan 0.000 0.442 1273 E N 0.141 120.337 120.200 -0.007 0.000 2.409 1273 E HA -0.106 4.244 4.350 0.000 0.000 0.198 1273 E C 1.294 177.890 176.600 -0.008 0.000 1.024 1273 E CA 0.618 57.014 56.400 -0.005 0.000 0.861 1273 E CB -0.307 29.411 29.700 0.029 0.000 0.788 1273 E HN 0.688 nan 8.360 nan 0.000 0.521 1274 N N 0.529 119.226 118.700 -0.004 0.000 2.520 1274 N HA -0.061 4.679 4.740 0.000 0.000 0.185 1274 N C 1.583 177.100 175.510 0.012 0.000 1.068 1274 N CA 0.184 53.248 53.050 0.024 0.000 0.911 1274 N CB 0.076 38.576 38.487 0.022 0.000 0.961 1274 N HN 0.172 nan 8.380 nan 0.000 0.446 1275 I N 0.260 120.781 120.570 -0.082 0.000 2.286 1275 I HA -0.191 3.979 4.170 0.000 0.000 0.248 1275 I C 1.540 177.609 176.117 -0.080 0.000 1.115 1275 I CA 1.047 62.261 61.300 -0.144 0.000 1.392 1275 I CB -0.166 37.611 38.000 -0.371 0.000 1.065 1275 I HN 0.141 nan 8.210 nan 0.000 0.418 1276 S N -0.316 115.321 115.700 -0.105 0.000 2.561 1276 S HA 0.220 4.690 4.470 0.000 0.000 0.245 1276 S C 1.373 176.102 174.600 0.215 0.000 1.001 1276 S CA -0.619 57.606 58.200 0.041 0.000 1.002 1276 S CB 0.241 63.413 63.200 -0.047 0.000 0.805 1276 S HN 0.241 nan 8.310 nan 0.000 0.458 1277 R N 0.677 121.312 120.500 0.224 0.000 2.062 1277 R HA 0.267 4.607 4.340 0.000 0.000 0.229 1277 R C 0.462 177.014 176.300 0.421 0.000 1.128 1277 R CA 1.229 57.500 56.100 0.284 0.000 0.960 1277 R CB 0.058 30.491 30.300 0.222 0.000 0.855 1277 R HN 0.418 nan 8.270 nan 0.000 0.432 1278 V N 0.278 120.404 119.914 0.355 0.000 3.012 1278 V HA 0.347 4.467 4.120 0.000 0.000 0.307 1278 V C -1.587 174.486 176.094 -0.035 0.000 1.166 1278 V CA -1.283 61.155 62.300 0.229 0.000 0.974 1278 V CB 1.827 33.716 31.823 0.109 0.000 1.040 1278 V HN 0.144 nan 8.190 nan 0.000 0.428 1279 L N 5.935 126.907 121.223 -0.417 0.000 2.380 1279 L HA 0.500 4.840 4.340 0.000 0.000 0.273 1279 L C -0.868 175.871 176.870 -0.219 0.000 1.138 1279 L CA 0.389 54.774 54.840 -0.759 0.000 0.832 1279 L CB 0.681 42.196 42.059 -0.908 0.000 1.124 1279 L HN 0.708 nan 8.230 nan 0.000 0.454 1280 Y N 6.224 126.425 120.300 -0.165 0.000 2.496 1280 Y HA 0.225 4.775 4.550 0.000 0.000 0.334 1280 Y C -1.368 174.530 175.900 -0.004 0.000 1.080 1280 Y CA -1.317 56.767 58.100 -0.026 0.000 1.355 1280 Y CB 0.582 39.053 38.460 0.019 0.000 1.193 1280 Y HN 0.580 nan 8.280 nan 0.000 0.523 1281 P HA -0.018 nan 4.420 nan 0.000 0.254 1281 P C -0.922 176.507 177.300 0.215 0.000 1.631 1281 P CA 0.309 63.509 63.100 0.167 0.000 0.861 1281 P CB -0.054 31.832 31.700 0.309 0.000 1.663 1282 N N 1.081 119.920 118.700 0.232 0.000 2.430 1282 N HA 0.184 4.924 4.740 0.000 0.000 0.292 1282 N C -0.716 174.952 175.510 0.263 0.000 1.051 1282 N CA 0.005 53.224 53.050 0.282 0.000 0.917 1282 N CB 1.580 40.292 38.487 0.375 0.000 1.164 1282 N HN 0.072 nan 8.380 nan 0.000 0.484 1283 D N 1.361 121.943 120.400 0.303 0.000 2.471 1283 D HA 0.198 4.838 4.640 0.000 0.000 0.245 1283 D C -0.687 175.869 176.300 0.427 0.000 1.116 1283 D CA -0.299 53.890 54.000 0.316 0.000 0.853 1283 D CB 0.256 41.235 40.800 0.298 0.000 1.123 1283 D HN 0.497 nan 8.370 nan 0.000 0.540 1284 N N 2.442 121.356 118.700 0.356 0.000 2.738 1284 N HA -0.255 4.485 4.740 0.000 0.000 0.249 1284 N C -1.428 174.363 175.510 0.468 0.000 1.047 1284 N CA 0.643 53.901 53.050 0.346 0.000 0.707 1284 N CB -1.029 37.634 38.487 0.293 0.000 0.937 1284 N HN 0.357 nan 8.380 nan 0.000 0.545 1285 F N 0.701 120.771 119.950 0.199 0.000 2.670 1285 F HA 0.406 4.934 4.527 0.000 0.000 0.332 1285 F C -1.603 174.270 175.800 0.121 0.000 1.179 1285 F CA -1.267 56.811 58.000 0.130 0.000 1.076 1285 F CB 0.708 39.728 39.000 0.032 0.000 1.322 1285 F HN -0.048 nan 8.300 nan 0.000 0.515 1286 F N 6.289 125.772 119.950 -0.778 0.000 2.420 1286 F HA 0.464 4.991 4.527 0.000 0.000 0.352 1286 F C -0.312 174.896 175.800 -0.986 0.000 1.108 1286 F CA -0.206 57.370 58.000 -0.707 0.000 1.162 1286 F CB 0.816 39.498 39.000 -0.529 0.000 1.118 1286 F HN 0.605 nan 8.300 nan 0.000 0.510 1287 E N 4.279 123.762 120.200 -1.194 0.000 2.255 1287 E HA 0.284 4.634 4.350 0.000 0.000 0.245 1287 E C 0.076 175.971 176.600 -1.174 0.000 0.909 1287 E CA -0.584 55.249 56.400 -0.944 0.000 0.747 1287 E CB 0.770 30.348 29.700 -0.204 0.000 1.215 1287 E HN 0.957 nan 8.360 nan 0.000 0.424 1288 G N 5.028 112.869 108.800 -1.598 0.000 2.991 1288 G HA2 -0.041 3.919 3.960 0.000 0.000 0.262 1288 G HA3 -0.041 3.919 3.960 0.000 0.000 0.262 1288 G C 0.214 174.997 174.900 -0.194 0.000 0.765 1288 G CA 0.005 44.427 45.100 -1.128 0.000 2.051 1288 G HN 0.209 nan 8.290 nan 0.000 0.602 1289 K N 0.382 120.755 120.400 -0.045 0.000 2.118 1289 K HA 0.147 4.467 4.320 0.000 0.000 0.267 1289 K C 0.989 177.732 176.600 0.239 0.000 0.991 1289 K CA -0.543 55.817 56.287 0.121 0.000 0.916 1289 K CB 1.979 34.574 32.500 0.158 0.000 1.041 1289 K HN 0.418 nan 8.250 nan 0.000 0.455 1290 E N 1.690 121.995 120.200 0.175 0.000 2.110 1290 E HA -0.198 4.152 4.350 0.000 0.000 0.193 1290 E C 1.554 178.173 176.600 0.031 0.000 0.988 1290 E CA 0.895 57.354 56.400 0.098 0.000 0.804 1290 E CB 0.205 29.960 29.700 0.092 0.000 0.745 1290 E HN 0.370 nan 8.360 nan 0.000 0.458 1291 L N 1.366 122.639 121.223 0.083 0.000 2.083 1291 L HA -0.152 4.188 4.340 0.000 0.000 0.209 1291 L C 2.387 179.288 176.870 0.051 0.000 1.083 1291 L CA 1.736 56.626 54.840 0.083 0.000 0.752 1291 L CB -0.583 41.601 42.059 0.207 0.000 0.899 1291 L HN -0.003 nan 8.230 nan 0.000 0.433 1292 R N -0.579 119.889 120.500 -0.052 0.000 2.115 1292 R HA -0.138 4.202 4.340 0.000 0.000 0.230 1292 R C 2.076 178.366 176.300 -0.017 0.000 1.111 1292 R CA 1.709 57.684 56.100 -0.208 0.000 0.976 1292 R CB -0.962 29.006 30.300 -0.553 0.000 0.870 1292 R HN 0.413 nan 8.270 nan 0.000 0.445 1293 L N 0.628 121.781 121.223 -0.116 0.000 2.093 1293 L HA -0.015 4.325 4.340 0.000 0.000 0.208 1293 L C 1.744 178.533 176.870 -0.134 0.000 1.085 1293 L CA 1.814 56.383 54.840 -0.451 0.000 0.755 1293 L CB -0.309 41.234 42.059 -0.860 0.000 0.904 1293 L HN 0.132 nan 8.230 nan 0.000 0.435 1294 K N -0.960 119.403 120.400 -0.061 0.000 2.026 1294 K HA -0.187 4.133 4.320 0.000 0.000 0.208 1294 K C 2.086 178.822 176.600 0.226 0.000 1.048 1294 K CA 1.810 58.112 56.287 0.025 0.000 0.929 1294 K CB -0.215 32.096 32.500 -0.314 0.000 0.713 1294 K HN 0.465 nan 8.250 nan 0.000 0.439 1295 Q N 0.688 120.578 119.800 0.150 0.000 2.112 1295 Q HA -0.219 4.121 4.340 0.000 0.000 0.206 1295 Q C 1.963 178.144 176.000 0.302 0.000 0.987 1295 Q CA 1.577 57.530 55.803 0.249 0.000 0.858 1295 Q CB -0.083 28.817 28.738 0.270 0.000 0.905 1295 Q HN 0.403 nan 8.270 nan 0.000 0.420 1296 E N -0.324 120.000 120.200 0.207 0.000 2.072 1296 E HA -0.201 4.149 4.350 0.000 0.000 0.191 1296 E C 1.740 178.431 176.600 0.152 0.000 0.985 1296 E CA 0.974 57.477 56.400 0.172 0.000 0.801 1296 E CB -0.134 29.628 29.700 0.104 0.000 0.750 1296 E HN 0.347 nan 8.360 nan 0.000 0.452 1297 Y N 0.593 120.928 120.300 0.057 0.000 2.243 1297 Y HA -0.175 4.375 4.550 0.000 0.000 0.293 1297 Y C 1.971 177.891 175.900 0.034 0.000 1.124 1297 Y CA 0.811 58.895 58.100 -0.027 0.000 1.159 1297 Y CB -0.457 37.971 38.460 -0.052 0.000 1.008 1297 Y HN -0.012 nan 8.280 nan 0.000 0.527 1298 F N -0.089 119.863 119.950 0.003 0.000 2.027 1298 F HA -0.306 4.221 4.527 0.000 0.000 0.297 1298 F C 2.485 178.133 175.800 -0.252 0.000 1.129 1298 F CA 2.347 60.302 58.000 -0.075 0.000 1.195 1298 F CB -1.165 37.938 39.000 0.171 0.000 0.960 1298 F HN -0.075 nan 8.300 nan 0.000 0.485 1299 V N -0.443 119.423 119.914 -0.079 0.000 2.490 1299 V HA -0.200 3.920 4.120 0.000 0.000 0.250 1299 V C 2.216 178.146 176.094 -0.274 0.000 1.061 1299 V CA 1.803 64.003 62.300 -0.167 0.000 1.064 1299 V CB -0.307 31.632 31.823 0.192 0.000 0.670 1299 V HN 0.312 nan 8.190 nan 0.000 0.461 1300 V N -0.017 119.749 119.914 -0.247 0.000 2.453 1300 V HA -0.110 4.010 4.120 0.000 0.000 0.247 1300 V C 2.618 178.461 176.094 -0.418 0.000 1.048 1300 V CA 1.881 64.031 62.300 -0.251 0.000 1.049 1300 V CB -0.432 31.301 31.823 -0.151 0.000 0.672 1300 V HN 0.635 nan 8.190 nan 0.000 0.457 1301 A N -0.421 121.989 122.820 -0.682 0.000 1.898 1301 A HA 0.073 4.393 4.320 0.000 0.000 0.214 1301 A C 2.376 179.558 177.584 -0.670 0.000 1.183 1301 A CA 1.545 53.156 52.037 -0.711 0.000 0.622 1301 A CB -0.638 17.706 19.000 -1.093 0.000 0.824 1301 A HN 0.520 nan 8.150 nan 0.000 0.444 1302 A N -0.768 121.494 122.820 -0.930 0.000 1.902 1302 A HA -0.075 4.245 4.320 0.000 0.000 0.217 1302 A C 2.298 179.332 177.584 -0.916 0.000 1.181 1302 A CA 2.304 53.592 52.037 -1.247 0.000 0.623 1302 A CB -1.249 16.395 19.000 -2.259 0.000 0.818 1302 A HN 0.404 nan 8.150 nan 0.000 0.443 1303 T N 0.453 114.601 114.554 -0.676 0.000 2.708 1303 T HA -0.073 4.277 4.350 0.000 0.000 0.266 1303 T C 1.833 176.220 174.700 -0.522 0.000 1.037 1303 T CA 1.431 63.214 62.100 -0.528 0.000 1.146 1303 T CB -0.364 68.199 68.868 -0.508 0.000 0.865 1303 T HN 0.347 nan 8.240 nan 0.000 0.435 1304 L N 0.587 121.566 121.223 -0.407 0.000 2.046 1304 L HA -0.141 4.199 4.340 0.000 0.000 0.208 1304 L C 2.956 179.674 176.870 -0.255 0.000 1.077 1304 L CA 1.404 56.053 54.840 -0.319 0.000 0.747 1304 L CB -0.537 41.371 42.059 -0.252 0.000 0.896 1304 L HN 0.328 nan 8.230 nan 0.000 0.432 1305 Q N -0.198 119.454 119.800 -0.246 0.000 2.030 1305 Q HA -0.285 4.055 4.340 0.000 0.000 0.204 1305 Q C 1.878 177.843 176.000 -0.059 0.000 0.986 1305 Q CA 2.180 57.898 55.803 -0.143 0.000 0.843 1305 Q CB -0.104 28.533 28.738 -0.168 0.000 0.904 1305 Q HN 0.381 nan 8.270 nan 0.000 0.420 1306 D N 0.122 120.484 120.400 -0.062 0.000 2.123 1306 D HA -0.158 4.482 4.640 0.000 0.000 0.196 1306 D C 1.640 177.941 176.300 0.001 0.000 0.992 1306 D CA 1.069 55.116 54.000 0.077 0.000 0.833 1306 D CB -0.082 40.880 40.800 0.270 0.000 0.954 1306 D HN 0.211 nan 8.370 nan 0.000 0.455 1307 I N -0.280 120.177 120.570 -0.188 0.000 2.252 1307 I HA -0.206 3.964 4.170 0.000 0.000 0.245 1307 I C 2.259 178.405 176.117 0.047 0.000 1.102 1307 I CA 0.566 61.698 61.300 -0.280 0.000 1.385 1307 I CB -0.098 37.524 38.000 -0.630 0.000 1.064 1307 I HN 0.056 nan 8.210 nan 0.000 0.414 1308 I N 0.592 121.225 120.570 0.104 0.000 2.315 1308 I HA -0.283 3.887 4.170 0.000 0.000 0.248 1308 I C 2.755 179.079 176.117 0.346 0.000 1.117 1308 I CA 1.242 62.717 61.300 0.290 0.000 1.404 1308 I CB -0.282 37.791 38.000 0.122 0.000 1.071 1308 I HN 0.148 nan 8.210 nan 0.000 0.419 1309 R N 0.916 121.551 120.500 0.225 0.000 2.081 1309 R HA -0.209 4.131 4.340 0.000 0.000 0.235 1309 R C 2.459 178.910 176.300 0.253 0.000 1.131 1309 R CA 1.649 57.888 56.100 0.232 0.000 0.960 1309 R CB -0.373 30.051 30.300 0.207 0.000 0.856 1309 R HN 0.217 nan 8.270 nan 0.000 0.436 1310 R N -0.467 120.174 120.500 0.234 0.000 2.148 1310 R HA -0.149 4.191 4.340 0.000 0.000 0.227 1310 R C 2.013 178.474 176.300 0.268 0.000 1.103 1310 R CA 1.398 57.633 56.100 0.226 0.000 0.983 1310 R CB -0.340 30.057 30.300 0.163 0.000 0.874 1310 R HN 0.340 nan 8.270 nan 0.000 0.451 1311 F N 1.389 121.439 119.950 0.166 0.000 2.146 1311 F HA -0.062 4.465 4.527 -0.000 0.000 0.298 1311 F C 1.688 177.600 175.800 0.188 0.000 1.096 1311 F CA 1.527 59.622 58.000 0.158 0.000 1.275 1311 F CB 0.049 39.193 39.000 0.240 0.000 1.008 1311 F HN -0.127 nan 8.300 nan 0.000 0.480 1312 K N 0.125 120.662 120.400 0.228 0.000 2.097 1312 K HA -0.025 4.295 4.320 0.000 0.000 0.205 1312 K C 2.096 178.762 176.600 0.110 0.000 1.050 1312 K CA 1.104 57.471 56.287 0.135 0.000 0.938 1312 K CB -0.418 32.211 32.500 0.215 0.000 0.718 1312 K HN 0.317 nan 8.250 nan 0.000 0.442 1313 A N 1.345 124.254 122.820 0.149 0.000 2.167 1313 A HA -0.010 4.310 4.320 0.000 0.000 0.214 1313 A C 1.298 179.017 177.584 0.225 0.000 1.151 1313 A CA 0.453 52.588 52.037 0.163 0.000 0.735 1313 A CB -0.371 18.733 19.000 0.174 0.000 0.802 1313 A HN 0.345 nan 8.150 nan 0.000 0.467 1314 S N -0.468 115.329 115.700 0.161 0.000 2.632 1314 S HA 0.135 4.605 4.470 0.000 0.000 0.254 1314 S C 0.808 175.425 174.600 0.028 0.000 1.291 1314 S CA 0.610 58.891 58.200 0.135 0.000 0.974 1314 S CB 0.432 63.646 63.200 0.022 0.000 1.016 1314 S HN 0.311 nan 8.310 nan 0.000 0.579 1315 K N -0.597 119.734 120.400 -0.115 0.000 2.367 1315 K HA 0.217 4.537 4.320 0.000 0.000 0.194 1315 K C 0.615 177.121 176.600 -0.157 0.000 1.027 1315 K CA -0.226 55.955 56.287 -0.177 0.000 1.075 1315 K CB -0.274 32.051 32.500 -0.292 0.000 0.845 1315 K HN 0.578 nan 8.250 nan 0.000 0.529 1324 T N 0.994 115.604 114.554 0.094 0.000 2.918 1324 T HA 0.557 4.907 4.350 0.000 0.000 0.283 1324 T C -0.272 174.374 174.700 -0.091 0.000 1.001 1324 T CA -0.104 61.977 62.100 -0.030 0.000 1.041 1324 T CB 2.072 70.817 68.868 -0.205 0.000 1.028 1324 T HN 0.335 nan 8.240 nan 0.000 0.511 1325 V N 3.221 123.096 119.914 -0.064 0.000 2.333 1325 V HA 0.299 4.419 4.120 0.000 0.000 0.274 1325 V C -0.321 175.669 176.094 -0.172 0.000 1.028 1325 V CA -0.246 62.081 62.300 0.045 0.000 0.851 1325 V CB 0.358 32.347 31.823 0.277 0.000 1.000 1325 V HN 0.875 nan 8.190 nan 0.000 0.456 1326 F N 1.078 121.023 119.950 -0.008 0.000 2.653 1326 F HA 0.193 4.720 4.527 -0.000 0.000 0.304 1326 F C 1.553 177.257 175.800 -0.159 0.000 1.092 1326 F CA -0.237 57.648 58.000 -0.191 0.000 1.279 1326 F CB 0.129 38.794 39.000 -0.557 0.000 1.044 1326 F HN 0.435 nan 8.300 nan 0.000 0.564 1327 D N 1.046 121.494 120.400 0.080 0.000 2.190 1327 D HA -0.204 4.436 4.640 0.000 0.000 0.200 1327 D C 2.174 178.522 176.300 0.079 0.000 0.992 1327 D CA 1.506 55.544 54.000 0.062 0.000 0.854 1327 D CB 0.014 40.865 40.800 0.084 0.000 0.936 1327 D HN 0.263 nan 8.370 nan 0.000 0.462 1328 A N -1.064 121.830 122.820 0.124 0.000 2.308 1328 A HA 0.119 4.439 4.320 0.000 0.000 0.217 1328 A C 1.517 179.167 177.584 0.110 0.000 1.216 1328 A CA -0.338 51.781 52.037 0.137 0.000 0.864 1328 A CB -0.596 18.533 19.000 0.215 0.000 0.902 1328 A HN 0.180 nan 8.150 nan 0.000 0.499 1329 F N 2.205 122.024 119.950 -0.219 0.000 2.043 1329 F HA -0.156 4.371 4.527 0.000 0.000 0.297 1329 F C -0.793 174.874 175.800 -0.221 0.000 1.118 1329 F CA 2.601 60.295 58.000 -0.509 0.000 1.202 1329 F CB -0.891 37.798 39.000 -0.518 0.000 0.965 1329 F HN 0.195 nan 8.300 nan 0.000 0.482 1330 P HA -0.118 nan 4.420 nan 0.000 0.225 1330 P C 0.741 177.975 177.300 -0.109 0.000 1.148 1330 P CA 1.680 64.724 63.100 -0.095 0.000 0.779 1330 P CB -0.096 31.582 31.700 -0.037 0.000 0.780 1331 D N -1.523 118.841 120.400 -0.061 0.000 2.349 1331 D HA -0.003 4.637 4.640 0.000 0.000 0.215 1331 D C 1.662 177.945 176.300 -0.028 0.000 1.016 1331 D CA 0.670 54.654 54.000 -0.026 0.000 0.870 1331 D CB 0.255 41.066 40.800 0.018 0.000 0.917 1331 D HN 0.186 nan 8.370 nan 0.000 0.524 1332 Q N -0.221 119.534 119.800 -0.074 0.000 2.322 1332 Q HA 0.170 4.510 4.340 0.000 0.000 0.250 1332 Q C 0.008 175.912 176.000 -0.160 0.000 0.853 1332 Q CA 0.285 56.059 55.803 -0.048 0.000 0.951 1332 Q CB 2.338 31.150 28.738 0.123 0.000 1.114 1332 Q HN 0.035 nan 8.270 nan 0.000 0.523 1333 V N 0.539 120.238 119.914 -0.358 0.000 2.735 1333 V HA 0.832 4.952 4.120 0.000 0.000 0.310 1333 V C -1.014 174.920 176.094 -0.267 0.000 1.061 1333 V CA -0.932 61.135 62.300 -0.387 0.000 0.913 1333 V CB 1.925 33.166 31.823 -0.969 0.000 1.005 1333 V HN 0.101 nan 8.190 nan 0.000 0.428 1334 A N 5.173 127.918 122.820 -0.125 0.000 2.402 1334 A HA 0.886 5.206 4.320 0.000 0.000 0.291 1334 A C -1.202 176.356 177.584 -0.044 0.000 1.051 1334 A CA -0.342 51.647 52.037 -0.081 0.000 0.716 1334 A CB 1.027 19.982 19.000 -0.075 0.000 1.223 1334 A HN 0.730 nan 8.150 nan 0.000 0.425 1335 I N 1.857 122.402 120.570 -0.041 0.000 2.382 1335 I HA 0.321 4.491 4.170 0.000 0.000 0.286 1335 I C -0.258 175.988 176.117 0.215 0.000 1.002 1335 I CA -0.648 60.691 61.300 0.065 0.000 1.135 1335 I CB 2.032 40.004 38.000 -0.046 0.000 1.288 1335 I HN 0.676 nan 8.210 nan 0.000 0.448 1336 Q N 5.829 125.737 119.800 0.179 0.000 2.296 1336 Q HA 0.402 4.742 4.340 0.000 0.000 0.257 1336 Q C -1.265 174.755 176.000 0.033 0.000 0.942 1336 Q CA -0.445 55.483 55.803 0.207 0.000 0.939 1336 Q CB 1.096 30.020 28.738 0.311 0.000 1.198 1336 Q HN 0.424 nan 8.270 nan 0.000 0.429 1337 L N 4.543 125.838 121.223 0.121 0.000 2.283 1337 L HA 0.275 4.615 4.340 0.000 0.000 0.287 1337 L C -0.177 176.724 176.870 0.052 0.000 1.073 1337 L CA -0.017 54.867 54.840 0.074 0.000 0.822 1337 L CB 0.430 42.559 42.059 0.117 0.000 1.186 1337 L HN 0.588 nan 8.230 nan 0.000 0.436 1338 N N 4.021 122.678 118.700 -0.071 0.000 2.549 1338 N HA 0.090 4.830 4.740 0.000 0.000 0.267 1338 N C -0.203 175.322 175.510 0.023 0.000 1.182 1338 N CA 0.393 53.451 53.050 0.014 0.000 1.019 1338 N CB -0.324 38.082 38.487 -0.135 0.000 1.380 1338 N HN 0.541 nan 8.380 nan 0.000 0.505 1339 D N -0.605 119.939 120.400 0.240 0.000 5.703 1339 D HA -0.225 4.415 4.640 0.000 0.000 0.317 1339 D C 0.580 176.988 176.300 0.181 0.000 2.508 1339 D CA 1.440 55.575 54.000 0.225 0.000 1.333 1339 D CB -0.409 40.299 40.800 -0.154 0.000 1.145 1339 D HN 0.477 nan 8.370 nan 0.000 1.293 1340 T N -1.942 112.730 114.554 0.196 0.000 3.160 1340 T HA -0.008 4.342 4.350 0.000 0.000 0.257 1340 T C 1.689 176.505 174.700 0.193 0.000 1.147 1340 T CA 1.878 64.042 62.100 0.106 0.000 1.064 1340 T CB -0.554 68.337 68.868 0.039 0.000 0.949 1340 T HN 0.525 nan 8.240 nan 0.000 0.526 1341 H N 2.476 121.616 119.070 0.117 0.000 2.353 1341 H HA -0.014 4.542 4.556 0.000 0.000 0.298 1341 H C -0.884 174.505 175.328 0.102 0.000 1.103 1341 H CA 0.990 57.122 56.048 0.139 0.000 1.293 1341 H CB -0.857 28.995 29.762 0.150 0.000 1.372 1341 H HN 0.464 nan 8.280 nan 0.000 0.501 1342 P HA 0.220 nan 4.420 nan 0.000 0.254 1342 P C 0.541 177.813 177.300 -0.047 0.000 1.620 1342 P CA 0.330 63.471 63.100 0.068 0.000 1.050 1342 P CB 0.336 32.076 31.700 0.067 0.000 1.539 1343 A N 0.767 123.559 122.820 -0.047 0.000 1.940 1343 A HA -0.162 4.158 4.320 0.000 0.000 0.219 1343 A C 1.999 179.469 177.584 -0.190 0.000 1.176 1343 A CA 1.259 53.200 52.037 -0.159 0.000 0.631 1343 A CB -1.513 17.416 19.000 -0.118 0.000 0.814 1343 A HN 0.237 nan 8.150 nan 0.000 0.446 1344 L N -0.731 120.420 121.223 -0.121 0.000 2.551 1344 L HA -0.218 4.122 4.340 0.000 0.000 0.230 1344 L C 2.828 179.633 176.870 -0.108 0.000 1.163 1344 L CA 0.519 55.289 54.840 -0.117 0.000 0.826 1344 L CB -0.497 41.501 42.059 -0.102 0.000 0.943 1344 L HN 0.495 nan 8.230 nan 0.000 0.452 1345 A N 0.290 122.998 122.820 -0.186 0.000 2.019 1345 A HA -0.152 4.168 4.320 0.000 0.000 0.219 1345 A C 2.156 179.574 177.584 -0.276 0.000 1.164 1345 A CA 1.180 53.102 52.037 -0.192 0.000 0.644 1345 A CB -0.342 18.536 19.000 -0.205 0.000 0.805 1345 A HN 0.366 nan 8.150 nan 0.000 0.449 1346 I N 0.393 120.679 120.570 -0.474 0.000 2.110 1346 I HA -0.130 4.040 4.170 0.000 0.000 0.236 1346 I C -0.383 175.702 176.117 -0.054 0.000 1.068 1346 I CA 1.388 62.484 61.300 -0.340 0.000 1.333 1346 I CB -1.156 36.650 38.000 -0.324 0.000 1.054 1346 I HN 0.211 nan 8.210 nan 0.000 0.402 1347 P HA -0.187 nan 4.420 nan 0.000 0.225 1347 P C 1.173 178.510 177.300 0.062 0.000 1.148 1347 P CA 1.529 64.654 63.100 0.042 0.000 0.779 1347 P CB 0.010 31.751 31.700 0.068 0.000 0.780 1348 E N 0.181 120.453 120.200 0.121 0.000 2.076 1348 E HA -0.121 4.229 4.350 0.000 0.000 0.190 1348 E C 1.908 178.464 176.600 -0.074 0.000 0.979 1348 E CA 0.515 57.007 56.400 0.154 0.000 0.807 1348 E CB -1.158 28.649 29.700 0.179 0.000 0.761 1348 E HN 0.014 nan 8.360 nan 0.000 0.454 1349 L N 0.003 121.137 121.223 -0.148 0.000 2.046 1349 L HA -0.077 4.263 4.340 0.000 0.000 0.208 1349 L C 2.093 178.623 176.870 -0.565 0.000 1.077 1349 L CA 1.716 56.282 54.840 -0.457 0.000 0.747 1349 L CB -0.510 41.322 42.059 -0.378 0.000 0.896 1349 L HN 0.226 nan 8.230 nan 0.000 0.432 1350 M N -0.733 118.707 119.600 -0.268 0.000 2.117 1350 M HA -0.213 4.267 4.480 0.000 0.000 0.262 1350 M C 2.457 178.671 176.300 -0.142 0.000 1.065 1350 M CA 1.573 56.763 55.300 -0.184 0.000 1.114 1350 M CB -1.168 31.327 32.600 -0.175 0.000 1.361 1350 M HN 0.338 nan 8.290 nan 0.000 0.408 1351 R N 0.422 120.834 120.500 -0.146 0.000 2.083 1351 R HA -0.149 4.191 4.340 0.000 0.000 0.237 1351 R C 2.094 178.339 176.300 -0.092 0.000 1.137 1351 R CA 1.549 57.571 56.100 -0.132 0.000 0.951 1351 R CB -0.283 29.882 30.300 -0.225 0.000 0.851 1351 R HN 0.323 nan 8.270 nan 0.000 0.434 1352 I N -0.151 120.330 120.570 -0.148 0.000 2.202 1352 I HA -0.286 3.884 4.170 0.000 0.000 0.242 1352 I C 2.159 178.225 176.117 -0.085 0.000 1.091 1352 I CA 1.404 62.618 61.300 -0.143 0.000 1.368 1352 I CB -0.377 37.465 38.000 -0.264 0.000 1.058 1352 I HN 0.211 nan 8.210 nan 0.000 0.410 1353 F N 0.207 119.964 119.950 -0.322 0.000 2.095 1353 F HA -0.269 4.258 4.527 0.000 0.000 0.298 1353 F C 2.473 178.142 175.800 -0.219 0.000 1.104 1353 F CA 1.025 58.787 58.000 -0.396 0.000 1.232 1353 F CB -0.148 38.602 39.000 -0.417 0.000 0.987 1353 F HN -0.100 nan 8.300 nan 0.000 0.475 1354 V N -0.440 119.515 119.914 0.068 0.000 2.341 1354 V HA -0.207 3.913 4.120 0.000 0.000 0.240 1354 V C 1.577 177.705 176.094 0.056 0.000 1.035 1354 V CA 1.707 64.048 62.300 0.069 0.000 1.033 1354 V CB -0.471 31.425 31.823 0.121 0.000 0.678 1354 V HN 0.141 nan 8.190 nan 0.000 0.464 1355 D N -0.072 120.351 120.400 0.038 0.000 2.178 1355 D HA -0.048 4.592 4.640 0.000 0.000 0.202 1355 D C 1.901 178.220 176.300 0.031 0.000 0.974 1355 D CA 1.370 55.390 54.000 0.033 0.000 0.841 1355 D CB 0.126 40.936 40.800 0.017 0.000 0.953 1355 D HN 0.418 nan 8.370 nan 0.000 0.478 1356 I N 0.131 120.716 120.570 0.025 0.000 2.900 1356 I HA -0.032 4.138 4.170 0.000 0.000 0.251 1356 I C 1.701 177.851 176.117 0.055 0.000 1.102 1356 I CA 0.185 61.506 61.300 0.034 0.000 1.457 1356 I CB 0.163 38.178 38.000 0.026 0.000 1.285 1356 I HN -0.247 nan 8.210 nan 0.000 0.459 1357 E N 1.342 121.570 120.200 0.046 0.000 2.482 1357 E HA -0.073 4.277 4.350 0.000 0.000 0.196 1357 E C 0.230 176.876 176.600 0.076 0.000 1.047 1357 E CA 0.248 56.701 56.400 0.088 0.000 0.869 1357 E CB -0.001 29.697 29.700 -0.004 0.000 0.836 1357 E HN 0.241 nan 8.360 nan 0.000 0.520 1358 K N -0.088 120.342 120.400 0.050 0.000 3.160 1358 K HA -0.190 4.130 4.320 0.000 0.000 0.280 1358 K C 0.102 176.727 176.600 0.042 0.000 1.154 1358 K CA 0.437 56.756 56.287 0.052 0.000 0.822 1358 K CB -2.330 30.206 32.500 0.060 0.000 1.239 1358 K HN 0.246 nan 8.250 nan 0.000 0.489 1359 L N 1.771 122.998 121.223 0.006 0.000 2.436 1359 L HA 0.237 4.577 4.340 0.000 0.000 0.265 1359 L C -1.381 175.505 176.870 0.027 0.000 1.168 1359 L CA -1.768 53.059 54.840 -0.022 0.000 0.815 1359 L CB 0.018 41.978 42.059 -0.165 0.000 1.109 1359 L HN -0.119 nan 8.230 nan 0.000 0.462 1360 P HA -0.083 nan 4.420 nan 0.000 0.280 1360 P C 0.439 177.834 177.300 0.159 0.000 1.244 1360 P CA -0.350 62.816 63.100 0.108 0.000 0.784 1360 P CB 0.717 32.472 31.700 0.092 0.000 0.913 1361 W N 4.394 125.718 121.300 0.040 0.000 2.275 1361 W HA -0.311 4.349 4.660 0.000 0.000 0.321 1361 W C 1.800 178.392 176.519 0.122 0.000 1.269 1361 W CA 3.285 60.671 57.345 0.069 0.000 1.274 1361 W CB -1.262 28.212 29.460 0.024 0.000 1.141 1361 W HN 0.512 nan 8.180 nan 0.000 0.493 1362 S N 0.665 116.586 115.700 0.368 0.000 2.359 1362 S HA -0.321 4.149 4.470 0.000 0.000 0.223 1362 S C 1.883 176.578 174.600 0.158 0.000 1.039 1362 S CA 1.993 60.365 58.200 0.287 0.000 1.042 1362 S CB -0.821 62.505 63.200 0.210 0.000 0.915 1362 S HN 0.184 nan 8.310 nan 0.000 0.439 1363 K N 2.271 122.718 120.400 0.078 0.000 2.002 1363 K HA 0.179 4.499 4.320 0.000 0.000 0.209 1363 K C 2.366 178.920 176.600 -0.076 0.000 1.048 1363 K CA 1.681 57.964 56.287 -0.007 0.000 0.930 1363 K CB -1.377 31.098 32.500 -0.042 0.000 0.714 1363 K HN 0.438 nan 8.250 nan 0.000 0.438 1364 A N 0.599 123.354 122.820 -0.109 0.000 1.892 1364 A HA -0.228 4.092 4.320 0.000 0.000 0.218 1364 A C 2.299 179.900 177.584 0.027 0.000 1.188 1364 A CA 1.777 53.755 52.037 -0.098 0.000 0.631 1364 A CB -1.313 17.664 19.000 -0.039 0.000 0.822 1364 A HN 0.726 nan 8.150 nan 0.000 0.447 1365 W N 0.663 121.784 121.300 -0.298 0.000 2.402 1365 W HA -0.144 4.516 4.660 -0.000 0.000 0.286 1365 W C 2.046 178.519 176.519 -0.077 0.000 1.221 1365 W CA 1.702 58.886 57.345 -0.269 0.000 1.257 1365 W CB 0.008 29.253 29.460 -0.358 0.000 1.120 1365 W HN 0.649 nan 8.180 nan 0.000 0.551 1366 E N 0.752 120.917 120.200 -0.058 0.000 2.047 1366 E HA -0.229 4.121 4.350 0.000 0.000 0.191 1366 E C 2.290 178.804 176.600 -0.142 0.000 0.987 1366 E CA 1.412 57.743 56.400 -0.114 0.000 0.799 1366 E CB -0.704 28.987 29.700 -0.014 0.000 0.752 1366 E HN 0.303 nan 8.360 nan 0.000 0.449 1367 L N 0.689 121.858 121.223 -0.090 0.000 2.083 1367 L HA -0.154 4.186 4.340 0.000 0.000 0.209 1367 L C 2.745 179.623 176.870 0.014 0.000 1.083 1367 L CA 1.543 56.365 54.840 -0.030 0.000 0.752 1367 L CB -0.649 41.358 42.059 -0.086 0.000 0.899 1367 L HN 0.198 nan 8.230 nan 0.000 0.433 1368 T N -0.664 113.872 114.554 -0.029 0.000 2.674 1368 T HA -0.245 4.105 4.350 0.000 0.000 0.265 1368 T C 1.905 176.519 174.700 -0.143 0.000 1.039 1368 T CA 1.488 63.536 62.100 -0.086 0.000 1.150 1368 T CB -0.197 68.574 68.868 -0.162 0.000 0.864 1368 T HN 0.394 nan 8.240 nan 0.000 0.427 1369 Q N 0.478 120.055 119.800 -0.373 0.000 2.135 1369 Q HA -0.091 4.249 4.340 0.000 0.000 0.204 1369 Q C 2.296 178.289 176.000 -0.011 0.000 0.981 1369 Q CA 1.263 56.909 55.803 -0.262 0.000 0.856 1369 Q CB -0.148 28.352 28.738 -0.396 0.000 0.902 1369 Q HN 0.416 nan 8.270 nan 0.000 0.425 1370 K N -0.469 119.889 120.400 -0.069 0.000 2.288 1370 K HA -0.036 4.284 4.320 0.000 0.000 0.201 1370 K C 1.924 178.508 176.600 -0.028 0.000 1.048 1370 K CA 1.213 57.443 56.287 -0.095 0.000 0.956 1370 K CB 0.244 32.673 32.500 -0.118 0.000 0.746 1370 K HN 0.117 nan 8.250 nan 0.000 0.461 1371 T N 0.086 114.619 114.554 -0.035 0.000 2.894 1371 T HA 0.061 4.411 4.350 0.000 0.000 0.258 1371 T C 0.359 174.944 174.700 -0.192 0.000 1.043 1371 T CA 0.716 62.714 62.100 -0.169 0.000 1.141 1371 T CB 0.001 68.670 68.868 -0.333 0.000 0.873 1371 T HN -0.054 nan 8.240 nan 0.000 0.449 1372 F N 1.084 121.087 119.950 0.087 0.000 2.397 1372 F HA 0.623 5.150 4.527 -0.000 0.000 0.331 1372 F C 0.338 176.142 175.800 0.006 0.000 1.090 1372 F CA -1.154 56.873 58.000 0.045 0.000 1.065 1372 F CB 1.002 39.976 39.000 -0.043 0.000 1.184 1372 F HN -0.009 nan 8.300 nan 0.000 0.499 1373 A N 2.729 125.695 122.820 0.243 0.000 2.422 1373 A HA 0.605 4.925 4.320 0.000 0.000 0.302 1373 A C -2.254 175.425 177.584 0.158 0.000 1.041 1373 A CA -0.557 51.498 52.037 0.030 0.000 0.708 1373 A CB 1.038 20.082 19.000 0.074 0.000 1.257 1373 A HN 0.680 nan 8.150 nan 0.000 0.414 1374 Y N 1.383 121.628 120.300 -0.092 0.000 2.341 1374 Y HA 0.674 5.224 4.550 0.000 0.000 0.338 1374 Y C -0.484 175.374 175.900 -0.070 0.000 0.965 1374 Y CA -0.519 57.530 58.100 -0.086 0.000 1.108 1374 Y CB 1.931 40.289 38.460 -0.171 0.000 1.180 1374 Y HN 0.525 nan 8.280 nan 0.000 0.458 1375 T N 7.042 121.373 114.554 -0.372 0.000 2.758 1375 T HA 0.198 4.548 4.350 0.000 0.000 0.285 1375 T C -0.655 173.580 174.700 -0.775 0.000 0.981 1375 T CA -0.734 61.065 62.100 -0.500 0.000 0.965 1375 T CB 0.107 68.874 68.868 -0.169 0.000 0.927 1375 T HN 0.654 nan 8.240 nan 0.000 0.448 1376 N N 2.250 120.488 118.700 -0.769 0.000 2.419 1376 N HA 0.079 4.819 4.740 0.000 0.000 0.264 1376 N C 0.275 175.724 175.510 -0.102 0.000 1.031 1376 N CA -0.249 52.592 53.050 -0.350 0.000 0.951 1376 N CB 0.595 38.996 38.487 -0.142 0.000 1.101 1376 N HN 0.656 nan 8.380 nan 0.000 0.488 1377 H N 1.555 120.674 119.070 0.081 0.000 2.586 1377 H HA 0.150 4.706 4.556 0.000 0.000 0.273 1377 H C -0.066 175.235 175.328 -0.045 0.000 0.997 1377 H CA 0.116 56.169 56.048 0.008 0.000 1.177 1377 H CB 1.061 30.816 29.762 -0.012 0.000 1.471 1377 H HN 0.472 nan 8.280 nan 0.000 0.538 1378 T N -0.024 114.646 114.554 0.193 0.000 2.827 1378 T HA 0.242 4.592 4.350 0.000 0.000 0.328 1378 T C 0.129 174.952 174.700 0.204 0.000 1.598 1378 T CA -0.484 61.689 62.100 0.122 0.000 1.043 1378 T CB 1.216 70.125 68.868 0.068 0.000 1.447 1378 T HN -0.067 nan 8.240 nan 0.000 0.491 1379 V N 1.377 121.358 119.914 0.112 0.000 3.346 1379 V HA 0.518 4.638 4.120 0.000 0.000 0.309 1379 V C 0.500 176.602 176.094 0.013 0.000 1.457 1379 V CA -0.252 62.090 62.300 0.069 0.000 1.069 1379 V CB -0.211 31.645 31.823 0.056 0.000 0.944 1379 V HN 0.628 nan 8.190 nan 0.000 0.449 1380 L N 2.630 123.848 121.223 -0.009 0.000 2.385 1380 L HA 0.257 4.597 4.340 0.000 0.000 0.281 1380 L C -0.961 175.942 176.870 0.055 0.000 1.106 1380 L CA -1.243 53.604 54.840 0.011 0.000 0.856 1380 L CB 0.910 42.949 42.059 -0.034 0.000 1.186 1380 L HN 0.054 nan 8.230 nan 0.000 0.453 1381 P HA -0.268 nan 4.420 nan 0.000 0.218 1381 P C 1.210 178.546 177.300 0.060 0.000 1.154 1381 P CA 1.299 64.424 63.100 0.043 0.000 0.872 1381 P CB 0.055 31.779 31.700 0.041 0.000 0.790 1382 E N -0.401 119.868 120.200 0.115 0.000 2.472 1382 E HA -0.076 4.274 4.350 0.000 0.000 0.200 1382 E C 1.470 178.132 176.600 0.103 0.000 1.046 1382 E CA 1.300 57.787 56.400 0.145 0.000 0.871 1382 E CB -0.661 29.214 29.700 0.292 0.000 0.806 1382 E HN 0.210 nan 8.360 nan 0.000 0.533 1383 A N 1.225 124.110 122.820 0.110 0.000 2.169 1383 A HA 0.233 4.553 4.320 0.000 0.000 0.210 1383 A C 1.343 178.952 177.584 0.042 0.000 1.168 1383 A CA -0.368 51.736 52.037 0.111 0.000 0.813 1383 A CB -0.116 18.966 19.000 0.138 0.000 0.861 1383 A HN 0.171 nan 8.150 nan 0.000 0.481 1384 L N 1.585 122.800 121.223 -0.013 0.000 2.559 1384 L HA 0.047 4.387 4.340 0.000 0.000 0.274 1384 L C 0.124 176.728 176.870 -0.444 0.000 1.205 1384 L CA 0.141 54.909 54.840 -0.120 0.000 0.907 1384 L CB 0.148 42.158 42.059 -0.082 0.000 1.153 1384 L HN 0.320 nan 8.230 nan 0.000 0.490 1385 E N 4.176 124.006 120.200 -0.616 0.000 2.052 1385 E HA 0.235 4.585 4.350 0.000 0.000 0.283 1385 E C -0.573 175.397 176.600 -1.050 0.000 1.071 1385 E CA -0.350 55.216 56.400 -1.389 0.000 0.851 1385 E CB 0.696 29.930 29.700 -0.777 0.000 1.066 1385 E HN 0.373 nan 8.360 nan 0.000 0.396 1386 R N 3.506 123.255 120.500 -1.251 0.000 2.407 1386 R HA 0.217 4.557 4.340 0.000 0.000 0.298 1386 R C -1.342 174.762 176.300 -0.326 0.000 1.166 1386 R CA -0.475 55.322 56.100 -0.504 0.000 1.006 1386 R CB 0.752 30.901 30.300 -0.253 0.000 1.145 1386 R HN 0.397 nan 8.270 nan 0.000 0.538 1387 W N 4.693 125.930 121.300 -0.105 0.000 2.287 1387 W HA 0.293 4.953 4.660 -0.000 0.000 0.313 1387 W C -1.892 174.641 176.519 0.024 0.000 1.267 1387 W CA -2.210 55.159 57.345 0.040 0.000 1.201 1387 W CB 0.774 30.233 29.460 -0.001 0.000 1.196 1387 W HN 0.288 nan 8.180 nan 0.000 0.536 1388 P HA -0.073 nan 4.420 nan 0.000 0.271 1388 P C 0.875 178.269 177.300 0.156 0.000 1.226 1388 P CA 0.067 63.278 63.100 0.185 0.000 0.765 1388 P CB 0.755 32.555 31.700 0.166 0.000 0.835 1389 V N 0.838 120.817 119.914 0.107 0.000 2.546 1389 V HA -0.277 3.843 4.120 0.000 0.000 0.254 1389 V C 1.282 177.417 176.094 0.069 0.000 1.076 1389 V CA 2.035 64.375 62.300 0.066 0.000 1.087 1389 V CB -1.106 30.772 31.823 0.091 0.000 0.674 1389 V HN 0.253 nan 8.190 nan 0.000 0.470 1390 D N 0.171 120.625 120.400 0.089 0.000 2.117 1390 D HA -0.089 4.551 4.640 0.000 0.000 0.198 1390 D C 1.891 178.240 176.300 0.082 0.000 0.982 1390 D CA 1.668 55.718 54.000 0.084 0.000 0.828 1390 D CB -0.269 40.582 40.800 0.084 0.000 0.967 1390 D HN 0.519 nan 8.370 nan 0.000 0.464 1391 L N 0.331 121.614 121.223 0.099 0.000 2.027 1391 L HA -0.116 4.224 4.340 0.000 0.000 0.206 1391 L C 2.206 179.091 176.870 0.026 0.000 1.074 1391 L CA 1.261 56.158 54.840 0.095 0.000 0.745 1391 L CB -0.460 41.693 42.059 0.157 0.000 0.898 1391 L HN -0.106 nan 8.230 nan 0.000 0.433 1392 V N -0.126 119.780 119.914 -0.014 0.000 2.332 1392 V HA -0.327 3.793 4.120 0.000 0.000 0.248 1392 V C 2.560 178.598 176.094 -0.093 0.000 1.055 1392 V CA 2.008 64.239 62.300 -0.116 0.000 1.038 1392 V CB -0.778 30.961 31.823 -0.140 0.000 0.651 1392 V HN 0.630 nan 8.190 nan 0.000 0.450 1393 E N 0.228 120.407 120.200 -0.035 0.000 2.118 1393 E HA -0.283 4.067 4.350 0.000 0.000 0.195 1393 E C 2.329 178.948 176.600 0.032 0.000 0.992 1393 E CA 1.441 57.835 56.400 -0.010 0.000 0.804 1393 E CB -0.115 29.609 29.700 0.040 0.000 0.741 1393 E HN 0.462 nan 8.360 nan 0.000 0.458 1394 K N 0.171 120.617 120.400 0.076 0.000 2.167 1394 K HA -0.093 4.227 4.320 0.000 0.000 0.203 1394 K C 2.039 178.798 176.600 0.264 0.000 1.052 1394 K CA 0.504 56.894 56.287 0.172 0.000 0.956 1394 K CB 0.057 32.669 32.500 0.186 0.000 0.735 1394 K HN 0.212 nan 8.250 nan 0.000 0.451 1395 L N 0.381 121.655 121.223 0.085 0.000 2.200 1395 L HA 0.154 4.494 4.340 0.000 0.000 0.200 1395 L C 0.646 177.472 176.870 -0.072 0.000 1.072 1395 L CA 1.102 55.885 54.840 -0.094 0.000 0.787 1395 L CB 0.284 42.234 42.059 -0.181 0.000 0.957 1395 L HN -0.008 nan 8.230 nan 0.000 0.459 1396 L N 1.082 122.195 121.223 -0.184 0.000 2.637 1396 L HA 0.323 4.663 4.340 0.000 0.000 0.241 1396 L C -1.651 174.996 176.870 -0.371 0.000 1.398 1396 L CA -1.165 53.452 54.840 -0.373 0.000 0.895 1396 L CB 0.549 42.260 42.059 -0.580 0.000 1.183 1396 L HN -0.019 nan 8.230 nan 0.000 0.497 1397 P HA -0.232 nan 4.420 nan 0.000 0.216 1397 P C 1.489 178.552 177.300 -0.395 0.000 1.153 1397 P CA 1.270 64.207 63.100 -0.271 0.000 0.858 1397 P CB 0.341 31.953 31.700 -0.147 0.000 0.789 1398 R N -0.147 119.900 120.500 -0.756 0.000 2.075 1398 R HA -0.144 4.196 4.340 0.000 0.000 0.232 1398 R C 2.300 178.276 176.300 -0.539 0.000 1.126 1398 R CA 1.715 57.415 56.100 -0.667 0.000 0.963 1398 R CB -1.784 27.952 30.300 -0.940 0.000 0.858 1398 R HN 0.272 nan 8.270 nan 0.000 0.435 1399 H N -0.569 118.178 119.070 -0.538 0.000 2.423 1399 H HA -0.055 4.502 4.556 0.000 0.000 0.297 1399 H C 1.553 176.704 175.328 -0.294 0.000 1.075 1399 H CA 1.458 57.282 56.048 -0.373 0.000 1.342 1399 H CB -0.141 29.361 29.762 -0.433 0.000 1.395 1399 H HN 0.112 nan 8.280 nan 0.000 0.530 1400 L N 1.173 122.268 121.223 -0.212 0.000 2.046 1400 L HA -0.140 4.200 4.340 0.000 0.000 0.208 1400 L C 1.830 178.522 176.870 -0.297 0.000 1.077 1400 L CA 1.729 56.384 54.840 -0.308 0.000 0.747 1400 L CB -0.472 41.431 42.059 -0.261 0.000 0.896 1400 L HN 0.250 nan 8.230 nan 0.000 0.432 1401 E N -0.366 119.771 120.200 -0.105 0.000 2.058 1401 E HA -0.244 4.106 4.350 0.000 0.000 0.194 1401 E C 2.261 178.883 176.600 0.037 0.000 0.997 1401 E CA 1.829 58.262 56.400 0.055 0.000 0.801 1401 E CB -0.257 29.467 29.700 0.040 0.000 0.746 1401 E HN 0.564 nan 8.360 nan 0.000 0.450 1402 I N 0.864 121.427 120.570 -0.012 0.000 2.286 1402 I HA -0.276 3.894 4.170 0.000 0.000 0.248 1402 I C 2.324 178.498 176.117 0.094 0.000 1.115 1402 I CA 1.008 62.368 61.300 0.101 0.000 1.392 1402 I CB -0.216 37.804 38.000 0.033 0.000 1.065 1402 I HN 0.116 nan 8.210 nan 0.000 0.418 1403 I N -0.540 120.008 120.570 -0.037 0.000 2.315 1403 I HA -0.298 3.872 4.170 0.000 0.000 0.248 1403 I C 2.372 178.480 176.117 -0.016 0.000 1.117 1403 I CA 1.347 62.608 61.300 -0.066 0.000 1.404 1403 I CB -0.329 37.562 38.000 -0.182 0.000 1.071 1403 I HN 0.134 nan 8.210 nan 0.000 0.419 1404 Y N 0.764 121.063 120.300 -0.002 0.000 2.200 1404 Y HA -0.200 4.350 4.550 0.000 0.000 0.290 1404 Y C 2.644 178.510 175.900 -0.058 0.000 1.137 1404 Y CA 0.952 59.039 58.100 -0.022 0.000 1.163 1404 Y CB -0.546 37.890 38.460 -0.040 0.000 0.988 1404 Y HN 0.112 nan 8.280 nan 0.000 0.518 1405 E N 0.398 120.641 120.200 0.071 0.000 2.031 1405 E HA -0.183 4.167 4.350 0.000 0.000 0.193 1405 E C 2.379 178.922 176.600 -0.096 0.000 0.994 1405 E CA 1.150 57.456 56.400 -0.157 0.000 0.800 1405 E CB -0.506 28.935 29.700 -0.432 0.000 0.752 1405 E HN 0.448 nan 8.360 nan 0.000 0.447 1406 I N 1.397 122.002 120.570 0.059 0.000 2.151 1406 I HA -0.338 3.832 4.170 0.000 0.000 0.243 1406 I C 2.358 178.482 176.117 0.012 0.000 1.080 1406 I CA 1.315 62.579 61.300 -0.059 0.000 1.339 1406 I CB -0.352 37.571 38.000 -0.129 0.000 1.039 1406 I HN 0.110 nan 8.210 nan 0.000 0.409 1407 N N 0.508 119.265 118.700 0.095 0.000 2.084 1407 N HA -0.251 4.489 4.740 0.000 0.000 0.190 1407 N C 1.797 177.395 175.510 0.146 0.000 1.030 1407 N CA 1.500 54.666 53.050 0.194 0.000 0.849 1407 N CB -0.196 38.419 38.487 0.214 0.000 1.012 1407 N HN 0.214 nan 8.380 nan 0.000 0.423 1408 Q N 1.117 120.953 119.800 0.059 0.000 2.014 1408 Q HA -0.111 4.229 4.340 0.000 0.000 0.207 1408 Q C 1.612 177.604 176.000 -0.013 0.000 0.993 1408 Q CA 1.882 57.680 55.803 -0.007 0.000 0.850 1408 Q CB -0.242 28.448 28.738 -0.079 0.000 0.916 1408 Q HN 0.258 nan 8.270 nan 0.000 0.417 1409 K N -0.475 119.901 120.400 -0.041 0.000 2.152 1409 K HA -0.205 4.115 4.320 0.000 0.000 0.206 1409 K C 2.192 178.843 176.600 0.084 0.000 1.048 1409 K CA 1.514 57.789 56.287 -0.021 0.000 0.933 1409 K CB -0.592 31.869 32.500 -0.065 0.000 0.721 1409 K HN 0.595 nan 8.250 nan 0.000 0.447 1410 H N 1.130 120.213 119.070 0.021 0.000 2.276 1410 H HA -0.018 4.538 4.556 0.000 0.000 0.301 1410 H C 2.099 177.470 175.328 0.072 0.000 1.073 1410 H CA 1.228 57.328 56.048 0.087 0.000 1.311 1410 H CB 0.067 29.907 29.762 0.130 0.000 1.379 1410 H HN 0.043 nan 8.280 nan 0.000 0.494 1411 L N 0.695 121.838 121.223 -0.132 0.000 2.201 1411 L HA -0.149 4.191 4.340 0.000 0.000 0.212 1411 L C 2.153 178.966 176.870 -0.095 0.000 1.105 1411 L CA 0.778 55.498 54.840 -0.200 0.000 0.775 1411 L CB -0.335 41.667 42.059 -0.094 0.000 0.913 1411 L HN 0.288 nan 8.230 nan 0.000 0.440 1412 D N -0.070 120.303 120.400 -0.045 0.000 2.182 1412 D HA -0.151 4.489 4.640 0.000 0.000 0.201 1412 D C 2.378 178.662 176.300 -0.027 0.000 0.986 1412 D CA 0.862 54.842 54.000 -0.033 0.000 0.847 1412 D CB -0.039 40.745 40.800 -0.026 0.000 0.942 1412 D HN 0.128 nan 8.370 nan 0.000 0.467 1413 R N 0.068 120.561 120.500 -0.012 0.000 2.073 1413 R HA 0.025 4.365 4.340 0.000 0.000 0.229 1413 R C 2.497 178.779 176.300 -0.030 0.000 1.120 1413 R CA 0.320 56.422 56.100 0.003 0.000 0.967 1413 R CB -0.582 29.764 30.300 0.077 0.000 0.862 1413 R HN 0.288 nan 8.270 nan 0.000 0.436 1414 I N 0.154 120.700 120.570 -0.039 0.000 2.179 1414 I HA -0.248 3.922 4.170 0.000 0.000 0.242 1414 I C 2.440 178.580 176.117 0.039 0.000 1.088 1414 I CA 1.002 62.330 61.300 0.046 0.000 1.357 1414 I CB -0.464 37.528 38.000 -0.015 0.000 1.051 1414 I HN -0.147 nan 8.210 nan 0.000 0.409 1415 V N 1.051 120.961 119.914 -0.008 0.000 2.324 1415 V HA -0.373 3.747 4.120 0.000 0.000 0.250 1415 V C 2.715 178.780 176.094 -0.049 0.000 1.060 1415 V CA 2.178 64.472 62.300 -0.010 0.000 1.042 1415 V CB -1.122 30.687 31.823 -0.023 0.000 0.650 1415 V HN 0.545 nan 8.190 nan 0.000 0.450 1416 A N -0.660 122.115 122.820 -0.074 0.000 1.933 1416 A HA -0.143 4.177 4.320 0.000 0.000 0.218 1416 A C 2.168 179.641 177.584 -0.185 0.000 1.175 1416 A CA 1.889 53.866 52.037 -0.099 0.000 0.628 1416 A CB -0.402 18.551 19.000 -0.078 0.000 0.814 1416 A HN 0.544 nan 8.150 nan 0.000 0.444 1417 L N -2.756 118.274 121.223 -0.322 0.000 2.202 1417 L HA 0.126 4.466 4.340 0.000 0.000 0.205 1417 L C 0.093 176.425 176.870 -0.898 0.000 1.083 1417 L CA 0.432 54.853 54.840 -0.699 0.000 0.790 1417 L CB -0.036 41.383 42.059 -1.066 0.000 0.942 1417 L HN 0.359 nan 8.230 nan 0.000 0.452 1418 F N -0.964 118.966 119.950 -0.033 0.000 2.531 1418 F HA 0.337 4.864 4.527 0.000 0.000 0.333 1418 F C -1.773 174.007 175.800 -0.034 0.000 1.292 1418 F CA -1.850 56.129 58.000 -0.034 0.000 1.184 1418 F CB 0.183 39.156 39.000 -0.044 0.000 1.426 1418 F HN -0.222 nan 8.300 nan 0.000 0.559 1419 P HA -0.214 nan 4.420 nan 0.000 0.215 1419 P C 1.162 178.487 177.300 0.042 0.000 1.163 1419 P CA 1.686 64.803 63.100 0.029 0.000 0.894 1419 P CB 0.270 31.971 31.700 0.002 0.000 0.791 1420 K N -1.298 119.133 120.400 0.052 0.000 2.505 1420 K HA 0.020 4.340 4.320 0.000 0.000 0.192 1420 K C 0.243 176.866 176.600 0.039 0.000 1.025 1420 K CA 0.206 56.515 56.287 0.038 0.000 1.086 1420 K CB -0.294 32.224 32.500 0.031 0.000 0.840 1420 K HN 0.037 nan 8.250 nan 0.000 0.514 1421 D N 0.702 121.139 120.400 0.062 0.000 2.479 1421 D HA 0.008 4.648 4.640 0.000 0.000 0.218 1421 D C 0.979 177.287 176.300 0.015 0.000 1.131 1421 D CA -0.124 53.894 54.000 0.030 0.000 0.916 1421 D CB 1.063 41.878 40.800 0.025 0.000 1.022 1421 D HN -0.074 nan 8.370 nan 0.000 0.515 1422 V N 0.900 120.817 119.914 0.004 0.000 2.649 1422 V HA -0.037 4.083 4.120 0.000 0.000 0.248 1422 V C 1.784 177.874 176.094 -0.007 0.000 1.054 1422 V CA 0.899 63.199 62.300 0.000 0.000 1.073 1422 V CB -0.326 31.497 31.823 0.002 0.000 0.699 1422 V HN 0.232 nan 8.190 nan 0.000 0.463 1423 D N 0.754 121.146 120.400 -0.014 0.000 2.117 1423 D HA -0.183 4.457 4.640 0.000 0.000 0.198 1423 D C 2.298 178.581 176.300 -0.028 0.000 0.982 1423 D CA 1.407 55.398 54.000 -0.015 0.000 0.828 1423 D CB -0.160 40.629 40.800 -0.018 0.000 0.967 1423 D HN 0.377 nan 8.370 nan 0.000 0.464 1424 R N -0.185 120.279 120.500 -0.060 0.000 2.103 1424 R HA -0.138 4.202 4.340 0.000 0.000 0.242 1424 R C 2.252 178.503 176.300 -0.082 0.000 1.142 1424 R CA 1.144 57.179 56.100 -0.108 0.000 0.960 1424 R CB -0.327 29.866 30.300 -0.179 0.000 0.858 1424 R HN 0.256 nan 8.270 nan 0.000 0.439 1425 L N 0.230 121.425 121.223 -0.047 0.000 1.994 1425 L HA -0.211 4.129 4.340 0.000 0.000 0.208 1425 L C 2.644 179.517 176.870 0.004 0.000 1.071 1425 L CA 2.020 56.838 54.840 -0.037 0.000 0.745 1425 L CB -0.471 41.576 42.059 -0.020 0.000 0.892 1425 L HN 0.316 nan 8.230 nan 0.000 0.431 1426 R N -0.200 120.314 120.500 0.024 0.000 2.189 1426 R HA -0.127 4.213 4.340 0.000 0.000 0.218 1426 R C 2.151 178.513 176.300 0.102 0.000 1.074 1426 R CA 1.018 57.154 56.100 0.061 0.000 0.991 1426 R CB -0.446 29.882 30.300 0.046 0.000 0.883 1426 R HN 0.161 nan 8.270 nan 0.000 0.457 1427 R N -0.059 120.487 120.500 0.077 0.000 2.153 1427 R HA 0.201 4.541 4.340 0.000 0.000 0.218 1427 R C 1.653 178.084 176.300 0.220 0.000 1.072 1427 R CA 1.316 57.491 56.100 0.125 0.000 0.990 1427 R CB 0.085 30.411 30.300 0.044 0.000 0.889 1427 R HN 0.291 nan 8.270 nan 0.000 0.452 1428 M N -0.517 119.143 119.600 0.099 0.000 2.382 1428 M HA 0.092 4.572 4.480 0.000 0.000 0.247 1428 M C 0.594 177.131 176.300 0.394 0.000 1.104 1428 M CA -0.115 55.216 55.300 0.050 0.000 1.030 1428 M CB 0.880 33.279 32.600 -0.336 0.000 1.424 1428 M HN -0.066 nan 8.290 nan 0.000 0.486 1429 S N 0.988 116.888 115.700 0.333 0.000 2.568 1429 S HA 0.125 4.595 4.470 0.000 0.000 0.282 1429 S C 1.016 175.912 174.600 0.494 0.000 1.338 1429 S CA -0.348 58.068 58.200 0.360 0.000 1.045 1429 S CB 0.654 63.983 63.200 0.214 0.000 0.873 1429 S HN 0.406 nan 8.310 nan 0.000 0.516 1430 L N 3.208 124.671 121.223 0.400 0.000 2.478 1430 L HA 0.187 4.527 4.340 0.000 0.000 0.223 1430 L C 0.137 177.102 176.870 0.159 0.000 1.140 1430 L CA 0.256 55.269 54.840 0.288 0.000 0.842 1430 L CB -0.354 41.821 42.059 0.193 0.000 0.953 1430 L HN 0.532 nan 8.230 nan 0.000 0.452 1431 I N 0.293 120.970 120.570 0.177 0.000 2.412 1431 I HA 0.221 4.391 4.170 0.000 0.000 0.296 1431 I C 0.082 176.265 176.117 0.109 0.000 0.987 1431 I CA -0.246 61.135 61.300 0.134 0.000 1.180 1431 I CB 1.696 39.809 38.000 0.188 0.000 1.340 1431 I HN 0.047 nan 8.210 nan 0.000 0.455 1432 E N 4.318 124.560 120.200 0.071 0.000 2.035 1432 E HA 0.191 4.541 4.350 0.000 0.000 0.271 1432 E C 0.129 176.766 176.600 0.062 0.000 0.953 1432 E CA -0.146 56.286 56.400 0.055 0.000 0.777 1432 E CB 1.146 30.859 29.700 0.021 0.000 1.104 1432 E HN 0.453 nan 8.360 nan 0.000 0.408 1433 E N 1.660 121.899 120.200 0.065 0.000 2.358 1433 E HA -0.080 4.270 4.350 0.000 0.000 0.195 1433 E C -0.449 176.179 176.600 0.045 0.000 1.010 1433 E CA 0.406 56.841 56.400 0.058 0.000 0.856 1433 E CB 0.193 29.924 29.700 0.052 0.000 0.795 1433 E HN 0.395 nan 8.360 nan 0.000 0.504 1434 E N 0.734 120.959 120.200 0.041 0.000 2.603 1434 E HA 0.174 4.524 4.350 0.000 0.000 0.242 1434 E C 0.808 177.428 176.600 0.033 0.000 1.083 1434 E CA 0.782 57.202 56.400 0.033 0.000 0.950 1434 E CB -0.303 29.415 29.700 0.031 0.000 0.952 1434 E HN 0.320 nan 8.360 nan 0.000 0.498 1435 G N 3.127 111.946 108.800 0.031 0.000 2.547 1435 G HA2 -0.353 3.607 3.960 0.000 0.000 0.271 1435 G HA3 -0.353 3.607 3.960 0.000 0.000 0.271 1435 G C 0.230 175.152 174.900 0.038 0.000 1.209 1435 G CA -0.174 44.945 45.100 0.031 0.000 0.959 1435 G HN 0.605 nan 8.290 nan 0.000 0.563 1436 S N 1.701 117.425 115.700 0.040 0.000 2.507 1436 S HA 0.306 4.776 4.470 0.000 0.000 0.299 1436 S C 0.938 175.571 174.600 0.056 0.000 1.214 1436 S CA 0.367 58.596 58.200 0.048 0.000 1.137 1436 S CB -0.365 62.864 63.200 0.049 0.000 1.009 1436 S HN 0.528 nan 8.310 nan 0.000 0.512 1437 K N 4.063 124.502 120.400 0.065 0.000 2.524 1437 K HA 0.062 4.382 4.320 0.000 0.000 0.279 1437 K C 0.194 176.841 176.600 0.078 0.000 0.993 1437 K CA 0.633 56.965 56.287 0.075 0.000 1.030 1437 K CB 0.331 32.890 32.500 0.097 0.000 0.891 1437 K HN 0.573 nan 8.250 nan 0.000 0.488 1438 R N 1.915 122.456 120.500 0.067 0.000 2.771 1438 R HA 0.458 4.798 4.340 0.000 0.000 0.274 1438 R C -0.496 175.830 176.300 0.043 0.000 0.987 1438 R CA -0.885 55.252 56.100 0.062 0.000 0.908 1438 R CB 1.464 31.785 30.300 0.035 0.000 1.213 1438 R HN 0.451 nan 8.270 nan 0.000 0.468 1439 I N 1.697 122.296 120.570 0.048 0.000 2.331 1439 I HA 0.134 4.304 4.170 0.000 0.000 0.292 1439 I C 0.061 176.159 176.117 -0.032 0.000 0.998 1439 I CA -0.638 60.673 61.300 0.019 0.000 1.267 1439 I CB 1.099 39.113 38.000 0.024 0.000 1.386 1439 I HN 0.396 nan 8.210 nan 0.000 0.476 1440 N N 7.681 126.335 118.700 -0.077 0.000 2.508 1440 N HA 0.078 4.818 4.740 0.000 0.000 0.253 1440 N C 0.855 176.287 175.510 -0.130 0.000 1.145 1440 N CA -0.272 52.672 53.050 -0.177 0.000 0.973 1440 N CB 0.718 38.971 38.487 -0.389 0.000 1.305 1440 N HN 0.517 nan 8.380 nan 0.000 0.506 1441 M N 1.790 121.321 119.600 -0.115 0.000 2.260 1441 M HA -0.140 4.340 4.480 0.000 0.000 0.261 1441 M C 1.841 178.025 176.300 -0.193 0.000 1.066 1441 M CA 0.925 56.162 55.300 -0.104 0.000 1.082 1441 M CB -1.574 30.998 32.600 -0.047 0.000 1.388 1441 M HN 0.590 nan 8.290 nan 0.000 0.419 1442 A N -0.939 121.781 122.820 -0.167 0.000 1.898 1442 A HA -0.158 4.162 4.320 0.000 0.000 0.216 1442 A C 2.027 179.427 177.584 -0.307 0.000 1.181 1442 A CA 1.349 53.245 52.037 -0.234 0.000 0.620 1442 A CB -1.028 18.026 19.000 0.091 0.000 0.819 1442 A HN 0.593 nan 8.150 nan 0.000 0.442 1443 H N -1.384 117.515 119.070 -0.285 0.000 2.353 1443 H HA -0.123 4.433 4.556 0.000 0.000 0.300 1443 H C 2.117 177.246 175.328 -0.332 0.000 1.090 1443 H CA 1.216 57.055 56.048 -0.348 0.000 1.327 1443 H CB -0.014 29.742 29.762 -0.011 0.000 1.383 1443 H HN 0.441 nan 8.280 nan 0.000 0.508 1444 L N 0.732 121.894 121.223 -0.102 0.000 2.012 1444 L HA -0.172 4.168 4.340 0.000 0.000 0.210 1444 L C 2.301 179.026 176.870 -0.242 0.000 1.073 1444 L CA 1.514 56.281 54.840 -0.122 0.000 0.748 1444 L CB -0.880 41.115 42.059 -0.106 0.000 0.891 1444 L HN 0.275 nan 8.230 nan 0.000 0.431 1445 C N -0.282 118.752 119.300 -0.444 0.000 2.425 1445 C HA -0.115 4.345 4.460 0.000 0.000 0.277 1445 C C 2.724 177.402 174.990 -0.521 0.000 1.280 1445 C CA 0.914 59.550 59.018 -0.637 0.000 1.744 1445 C CB -0.998 25.945 27.740 -1.329 0.000 1.989 1445 C HN 0.622 nan 8.230 nan 0.000 0.491 1446 I N 1.576 121.813 120.570 -0.554 0.000 2.226 1446 I HA -0.163 4.007 4.170 0.000 0.000 0.245 1446 I C 2.501 178.460 176.117 -0.263 0.000 1.100 1446 I CA 1.875 62.901 61.300 -0.457 0.000 1.374 1446 I CB -0.553 36.990 38.000 -0.762 0.000 1.057 1446 I HN 0.343 nan 8.210 nan 0.000 0.413 1447 V N -1.279 118.519 119.914 -0.193 0.000 2.719 1447 V HA 0.097 4.217 4.120 0.000 0.000 0.252 1447 V C 1.884 178.034 176.094 0.093 0.000 1.065 1447 V CA 1.532 63.839 62.300 0.011 0.000 1.086 1447 V CB -1.139 30.679 31.823 -0.009 0.000 0.700 1447 V HN 0.375 nan 8.190 nan 0.000 0.467 1448 G N -0.214 108.576 108.800 -0.016 0.000 3.284 1448 G HA2 0.419 4.379 3.960 0.000 0.000 0.236 1448 G HA3 0.419 4.379 3.960 0.000 0.000 0.236 1448 G C 0.276 175.078 174.900 -0.164 0.000 1.158 1448 G CA 0.470 45.478 45.100 -0.154 0.000 0.774 1448 G HN 0.530 nan 8.290 nan 0.000 0.545 1449 S N -1.100 114.526 115.700 -0.124 0.000 2.548 1449 S HA 0.358 4.828 4.470 0.000 0.000 0.286 1449 S C 0.356 174.910 174.600 -0.077 0.000 1.098 1449 S CA -0.649 57.513 58.200 -0.064 0.000 0.930 1449 S CB 1.485 64.638 63.200 -0.078 0.000 1.070 1449 S HN 0.570 nan 8.310 nan 0.000 0.480 1450 H N -0.363 118.680 119.070 -0.046 0.000 2.548 1450 H HA 0.702 5.259 4.556 0.000 0.000 0.265 1450 H C 0.117 175.405 175.328 -0.066 0.000 0.969 1450 H CA 0.435 56.452 56.048 -0.053 0.000 1.155 1450 H CB 0.250 29.992 29.762 -0.033 0.000 1.394 1450 H HN 0.548 nan 8.280 nan 0.000 0.570 1451 A N 0.596 123.100 122.820 -0.527 0.000 2.517 1451 A HA 0.598 4.918 4.320 0.000 0.000 0.297 1451 A C -1.645 175.720 177.584 -0.365 0.000 1.050 1451 A CA -0.657 51.126 52.037 -0.424 0.000 0.694 1451 A CB 1.652 20.380 19.000 -0.454 0.000 1.277 1451 A HN 0.139 nan 8.150 nan 0.000 0.400 1452 V N 4.077 123.722 119.914 -0.449 0.000 2.531 1452 V HA 0.594 4.714 4.120 0.000 0.000 0.301 1452 V C -0.615 175.253 176.094 -0.377 0.000 1.034 1452 V CA -0.731 61.280 62.300 -0.482 0.000 0.865 1452 V CB 1.826 33.154 31.823 -0.825 0.000 0.995 1452 V HN 1.022 nan 8.190 nan 0.000 0.424 1453 N N 2.991 121.495 118.700 -0.327 0.000 2.262 1453 N HA 0.615 5.355 4.740 0.000 0.000 0.295 1453 N C -0.379 175.031 175.510 -0.166 0.000 1.161 1453 N CA -0.326 52.601 53.050 -0.205 0.000 0.767 1453 N CB 2.868 41.228 38.487 -0.212 0.000 1.499 1453 N HN 0.662 nan 8.380 nan 0.000 0.476 1454 G N -0.770 107.997 108.800 -0.055 0.000 2.511 1454 G HA2 0.432 4.392 3.960 0.000 0.000 0.316 1454 G HA3 0.432 4.392 3.960 0.000 0.000 0.316 1454 G C 0.776 175.765 174.900 0.148 0.000 1.210 1454 G CA -0.546 44.616 45.100 0.102 0.000 0.969 1454 G HN 0.602 nan 8.290 nan 0.000 0.492 1455 V N -3.327 116.757 119.914 0.283 0.000 3.542 1455 V HA 0.669 4.789 4.120 0.000 0.000 0.296 1455 V C 0.603 176.766 176.094 0.115 0.000 1.364 1455 V CA 0.288 62.656 62.300 0.114 0.000 1.118 1455 V CB -0.921 30.921 31.823 0.031 0.000 0.972 1455 V HN 1.344 nan 8.190 nan 0.000 0.430 1456 A N -0.499 122.412 122.820 0.151 0.000 2.582 1456 A HA 0.520 4.840 4.320 0.000 0.000 0.297 1456 A C 0.542 178.195 177.584 0.115 0.000 1.059 1456 A CA -0.401 51.710 52.037 0.123 0.000 0.705 1456 A CB 1.090 20.151 19.000 0.103 0.000 1.279 1456 A HN -0.020 nan 8.150 nan 0.000 0.404 1457 K N 1.013 121.461 120.400 0.079 0.000 2.049 1457 K HA -0.252 4.068 4.320 0.000 0.000 0.219 1457 K C 1.750 178.380 176.600 0.050 0.000 1.056 1457 K CA 2.264 58.582 56.287 0.051 0.000 0.946 1457 K CB -0.374 32.151 32.500 0.041 0.000 0.723 1457 K HN 0.742 nan 8.250 nan 0.000 0.453 1458 I N 0.579 121.185 120.570 0.060 0.000 2.163 1458 I HA -0.365 3.805 4.170 0.000 0.000 0.243 1458 I C 2.639 178.797 176.117 0.068 0.000 1.085 1458 I CA 1.843 63.173 61.300 0.050 0.000 1.347 1458 I CB -0.188 37.839 38.000 0.045 0.000 1.044 1458 I HN 0.256 nan 8.210 nan 0.000 0.408 1459 H N 0.401 119.473 119.070 0.003 0.000 2.270 1459 H HA -0.148 4.408 4.556 0.000 0.000 0.299 1459 H C 2.344 177.679 175.328 0.012 0.000 1.077 1459 H CA 2.359 58.408 56.048 0.002 0.000 1.294 1459 H CB -0.470 29.294 29.762 0.004 0.000 1.371 1459 H HN 0.299 nan 8.280 nan 0.000 0.491 1460 S N -0.235 115.425 115.700 -0.067 0.000 2.402 1460 S HA -0.220 4.250 4.470 0.000 0.000 0.233 1460 S C 1.809 176.362 174.600 -0.079 0.000 1.030 1460 S CA 1.547 59.684 58.200 -0.106 0.000 1.003 1460 S CB -0.433 62.764 63.200 -0.005 0.000 0.813 1460 S HN 0.689 nan 8.310 nan 0.000 0.477 1461 D N 1.059 121.429 120.400 -0.051 0.000 2.117 1461 D HA -0.044 4.596 4.640 0.000 0.000 0.198 1461 D C 1.700 177.955 176.300 -0.076 0.000 0.982 1461 D CA 0.952 54.925 54.000 -0.045 0.000 0.828 1461 D CB -0.241 40.544 40.800 -0.024 0.000 0.967 1461 D HN 0.385 nan 8.370 nan 0.000 0.464 1462 I N -0.350 120.163 120.570 -0.096 0.000 2.315 1462 I HA -0.181 3.989 4.170 0.000 0.000 0.248 1462 I C 2.327 178.351 176.117 -0.154 0.000 1.117 1462 I CA 0.354 61.587 61.300 -0.111 0.000 1.404 1462 I CB 0.050 37.996 38.000 -0.089 0.000 1.071 1462 I HN -0.002 nan 8.210 nan 0.000 0.419 1463 V N 0.840 120.642 119.914 -0.186 0.000 2.295 1463 V HA -0.302 3.818 4.120 0.000 0.000 0.246 1463 V C 2.472 178.560 176.094 -0.010 0.000 1.049 1463 V CA 1.886 64.132 62.300 -0.089 0.000 1.024 1463 V CB -0.614 31.174 31.823 -0.059 0.000 0.648 1463 V HN 0.399 nan 8.190 nan 0.000 0.447 1464 K N 0.297 120.647 120.400 -0.083 0.000 1.975 1464 K HA -0.176 4.144 4.320 0.000 0.000 0.210 1464 K C 2.369 178.817 176.600 -0.253 0.000 1.041 1464 K CA 2.095 58.217 56.287 -0.275 0.000 0.942 1464 K CB -0.496 31.926 32.500 -0.131 0.000 0.729 1464 K HN 0.617 nan 8.250 nan 0.000 0.439 1465 T N -0.943 113.522 114.554 -0.149 0.000 2.821 1465 T HA -0.064 4.286 4.350 0.000 0.000 0.267 1465 T C 1.751 176.384 174.700 -0.111 0.000 1.046 1465 T CA 1.145 63.175 62.100 -0.116 0.000 1.139 1465 T CB 0.042 68.864 68.868 -0.077 0.000 0.871 1465 T HN 0.120 nan 8.240 nan 0.000 0.454 1466 K N 0.497 120.822 120.400 -0.124 0.000 2.218 1466 K HA 0.381 4.701 4.320 0.000 0.000 0.222 1466 K C 2.338 178.830 176.600 -0.180 0.000 1.030 1466 K CA 0.688 56.899 56.287 -0.127 0.000 0.946 1466 K CB -0.655 31.776 32.500 -0.115 0.000 1.000 1466 K HN 0.050 nan 8.250 nan 0.000 0.461 1467 V N 0.795 120.539 119.914 -0.284 0.000 2.363 1467 V HA -0.233 3.887 4.120 0.000 0.000 0.254 1467 V C 1.038 176.718 176.094 -0.690 0.000 1.074 1467 V CA 1.810 63.778 62.300 -0.552 0.000 1.069 1467 V CB -0.548 30.779 31.823 -0.827 0.000 0.659 1467 V HN 0.274 nan 8.190 nan 0.000 0.455 1468 F N -1.239 118.696 119.950 -0.026 0.000 2.841 1468 F HA 0.353 4.880 4.527 0.000 0.000 0.358 1468 F C 1.506 177.246 175.800 -0.100 0.000 1.261 1468 F CA -0.399 57.612 58.000 0.020 0.000 1.233 1468 F CB 0.163 39.163 39.000 0.000 0.000 1.008 1468 F HN -0.152 nan 8.300 nan 0.000 0.507 1469 K N 0.832 121.229 120.400 -0.005 0.000 2.044 1469 K HA -0.214 4.106 4.320 0.000 0.000 0.210 1469 K C 1.356 177.934 176.600 -0.037 0.000 1.049 1469 K CA 2.233 58.480 56.287 -0.066 0.000 0.927 1469 K CB 0.019 32.475 32.500 -0.073 0.000 0.713 1469 K HN 0.181 nan 8.250 nan 0.000 0.443 1470 D N -0.156 120.235 120.400 -0.016 0.000 2.133 1470 D HA -0.185 4.455 4.640 0.000 0.000 0.195 1470 D C 1.785 178.011 176.300 -0.123 0.000 0.997 1470 D CA 1.335 55.256 54.000 -0.132 0.000 0.840 1470 D CB -0.286 40.387 40.800 -0.212 0.000 0.947 1470 D HN 0.217 nan 8.370 nan 0.000 0.452 1471 F N 1.369 121.341 119.950 0.036 0.000 2.098 1471 F HA -0.142 4.385 4.527 0.000 0.000 0.294 1471 F C 2.789 178.668 175.800 0.131 0.000 1.107 1471 F CA 1.255 59.333 58.000 0.130 0.000 1.234 1471 F CB -0.666 38.468 39.000 0.224 0.000 1.002 1471 F HN -0.075 nan 8.300 nan 0.000 0.472 1472 S N -0.417 115.324 115.700 0.069 0.000 2.419 1472 S HA -0.234 4.236 4.470 0.000 0.000 0.235 1472 S C 1.761 176.399 174.600 0.065 0.000 1.019 1472 S CA 1.434 59.594 58.200 -0.066 0.000 0.982 1472 S CB -0.695 62.172 63.200 -0.556 0.000 0.789 1472 S HN 0.472 nan 8.310 nan 0.000 0.490 1473 E N 0.457 120.677 120.200 0.034 0.000 2.077 1473 E HA -0.053 4.297 4.350 0.000 0.000 0.193 1473 E C 1.779 178.445 176.600 0.110 0.000 0.989 1473 E CA 1.047 57.471 56.400 0.041 0.000 0.800 1473 E CB -0.150 29.539 29.700 -0.019 0.000 0.746 1473 E HN 0.350 nan 8.360 nan 0.000 0.452 1474 L N 0.883 122.197 121.223 0.152 0.000 2.005 1474 L HA -0.095 4.245 4.340 0.000 0.000 0.207 1474 L C 0.474 177.458 176.870 0.191 0.000 1.072 1474 L CA 1.657 56.616 54.840 0.199 0.000 0.744 1474 L CB -0.170 42.024 42.059 0.225 0.000 0.895 1474 L HN 0.044 nan 8.230 nan 0.000 0.433 1475 E N -1.094 119.246 120.200 0.234 0.000 2.489 1475 E HA 0.207 4.557 4.350 0.000 0.000 0.232 1475 E C -2.076 174.683 176.600 0.264 0.000 0.990 1475 E CA -1.616 54.919 56.400 0.226 0.000 0.768 1475 E CB 1.017 30.858 29.700 0.234 0.000 1.270 1475 E HN 0.109 nan 8.360 nan 0.000 0.423 1476 P HA -0.170 nan 4.420 nan 0.000 0.215 1476 P C 0.738 178.155 177.300 0.194 0.000 1.157 1476 P CA 0.953 64.156 63.100 0.172 0.000 0.863 1476 P CB 0.284 32.046 31.700 0.103 0.000 0.787 1477 D N -0.507 119.979 120.400 0.142 0.000 2.265 1477 D HA -0.173 4.467 4.640 0.000 0.000 0.208 1477 D C 1.820 178.180 176.300 0.099 0.000 0.977 1477 D CA 0.989 55.053 54.000 0.106 0.000 0.871 1477 D CB -0.323 40.525 40.800 0.080 0.000 0.925 1477 D HN 0.286 nan 8.370 nan 0.000 0.485 1478 K N -0.305 120.171 120.400 0.127 0.000 2.097 1478 K HA -0.096 4.224 4.320 0.000 0.000 0.205 1478 K C 0.178 176.690 176.600 -0.147 0.000 1.050 1478 K CA 0.436 56.714 56.287 -0.015 0.000 0.938 1478 K CB 0.024 32.485 32.500 -0.065 0.000 0.718 1478 K HN -0.059 nan 8.250 nan 0.000 0.442 1479 F N 2.061 122.012 119.950 0.002 0.000 2.420 1479 F HA 0.188 4.715 4.527 -0.000 0.000 0.352 1479 F C 0.255 176.030 175.800 -0.041 0.000 1.108 1479 F CA -0.123 57.864 58.000 -0.021 0.000 1.162 1479 F CB 1.193 40.199 39.000 0.010 0.000 1.118 1479 F HN 0.109 nan 8.300 nan 0.000 0.510 1480 Q N 1.803 121.626 119.800 0.038 0.000 2.882 1480 Q HA 0.446 4.786 4.340 0.000 0.000 0.315 1480 Q C -1.393 174.579 176.000 -0.048 0.000 1.004 1480 Q CA -1.357 54.435 55.803 -0.019 0.000 0.777 1480 Q CB 2.524 31.207 28.738 -0.091 0.000 1.506 1480 Q HN 0.611 nan 8.270 nan 0.000 0.489 1481 N N -0.010 118.643 118.700 -0.078 0.000 2.240 1481 N HA 0.299 5.039 4.740 0.000 0.000 0.302 1481 N C -1.468 173.952 175.510 -0.149 0.000 1.106 1481 N CA -0.490 52.514 53.050 -0.076 0.000 0.778 1481 N CB 1.407 39.877 38.487 -0.028 0.000 1.431 1481 N HN 0.355 nan 8.380 nan 0.000 0.479 1482 K N 2.513 122.830 120.400 -0.138 0.000 2.764 1482 K HA 0.178 4.498 4.320 0.000 0.000 0.239 1482 K C -1.056 175.543 176.600 -0.001 0.000 1.048 1482 K CA -0.469 55.700 56.287 -0.198 0.000 1.057 1482 K CB 1.170 33.337 32.500 -0.555 0.000 1.251 1482 K HN 0.570 nan 8.250 nan 0.000 0.524 1483 T N 2.551 117.125 114.554 0.034 0.000 2.908 1483 T HA 0.055 4.405 4.350 0.000 0.000 0.301 1483 T C 0.833 175.648 174.700 0.191 0.000 1.019 1483 T CA 0.151 62.322 62.100 0.118 0.000 1.152 1483 T CB 0.187 69.129 68.868 0.124 0.000 0.966 1483 T HN 0.244 nan 8.240 nan 0.000 0.540 1484 N N 1.185 120.015 118.700 0.216 0.000 2.231 1484 N HA 0.446 5.186 4.740 0.000 0.000 0.223 1484 N C 0.522 176.198 175.510 0.276 0.000 1.329 1484 N CA 0.298 53.500 53.050 0.254 0.000 0.889 1484 N CB 0.346 38.920 38.487 0.146 0.000 1.125 1484 N HN 0.891 nan 8.380 nan 0.000 0.447 1485 G N -1.392 107.567 108.800 0.265 0.000 2.623 1485 G HA2 0.589 4.549 3.960 0.000 0.000 0.290 1485 G HA3 0.589 4.549 3.960 0.000 0.000 0.290 1485 G C -1.252 173.755 174.900 0.178 0.000 1.437 1485 G CA -0.711 44.539 45.100 0.251 0.000 0.798 1485 G HN 0.557 nan 8.290 nan 0.000 0.488 1486 I N -1.928 118.732 120.570 0.151 0.000 2.846 1486 I HA 0.778 4.949 4.170 0.000 0.000 0.307 1486 I C 0.094 176.353 176.117 0.237 0.000 1.053 1486 I CA -1.032 60.350 61.300 0.138 0.000 1.050 1486 I CB 2.466 40.428 38.000 -0.063 0.000 1.239 1486 I HN 0.455 nan 8.210 nan 0.000 0.439 1487 T N 3.976 118.731 114.554 0.335 0.000 2.761 1487 T HA 0.345 4.695 4.350 0.000 0.000 0.296 1487 T C -1.472 173.332 174.700 0.174 0.000 0.934 1487 T CA -1.629 60.589 62.100 0.197 0.000 1.091 1487 T CB 0.622 69.549 68.868 0.100 0.000 0.896 1487 T HN 0.611 nan 8.240 nan 0.000 0.515 1488 P HA 0.048 nan 4.420 nan 0.000 0.239 1488 P C 0.959 178.221 177.300 -0.064 0.000 1.184 1488 P CA 0.296 63.427 63.100 0.052 0.000 0.760 1488 P CB 0.330 32.053 31.700 0.040 0.000 0.884 1489 R N 0.496 120.910 120.500 -0.143 0.000 2.046 1489 R HA 0.083 4.423 4.340 0.000 0.000 0.223 1489 R C 2.665 178.823 176.300 -0.237 0.000 1.179 1489 R CA 1.331 57.288 56.100 -0.239 0.000 0.952 1489 R CB -1.079 29.072 30.300 -0.249 0.000 0.843 1489 R HN -0.002 nan 8.270 nan 0.000 0.439 1490 R N -0.744 119.550 120.500 -0.343 0.000 2.115 1490 R HA -0.110 4.230 4.340 0.000 0.000 0.230 1490 R C 0.835 176.714 176.300 -0.702 0.000 1.111 1490 R CA 1.509 57.252 56.100 -0.596 0.000 0.976 1490 R CB -0.163 29.629 30.300 -0.847 0.000 0.870 1490 R HN 0.308 nan 8.270 nan 0.000 0.445 1491 W N -0.127 121.108 121.300 -0.110 0.000 3.388 1491 W HA 0.196 4.856 4.660 0.000 0.000 0.324 1491 W C 0.766 177.231 176.519 -0.090 0.000 1.250 1491 W CA -0.809 56.467 57.345 -0.114 0.000 1.809 1491 W CB 0.506 29.900 29.460 -0.109 0.000 1.083 1491 W HN 0.213 nan 8.180 nan 0.000 0.685 1492 L N -1.795 119.455 121.223 0.045 0.000 2.208 1492 L HA 0.215 4.555 4.340 0.000 0.000 0.133 1492 L C 1.727 178.594 176.870 -0.004 0.000 1.385 1492 L CA 0.574 55.441 54.840 0.046 0.000 1.030 1492 L CB -1.042 41.074 42.059 0.095 0.000 2.075 1492 L HN -0.199 nan 8.230 nan 0.000 0.482 1493 L N 0.436 121.638 121.223 -0.035 0.000 2.013 1493 L HA -0.236 4.104 4.340 0.000 0.000 0.212 1493 L C 2.499 179.325 176.870 -0.073 0.000 1.073 1493 L CA 2.334 57.143 54.840 -0.052 0.000 0.753 1493 L CB -0.677 41.317 42.059 -0.109 0.000 0.890 1493 L HN 0.435 nan 8.230 nan 0.000 0.432 1494 L N 0.080 121.227 121.223 -0.127 0.000 2.034 1494 L HA -0.188 4.152 4.340 0.000 0.000 0.203 1494 L C 2.955 179.742 176.870 -0.139 0.000 1.074 1494 L CA 1.534 56.283 54.840 -0.151 0.000 0.748 1494 L CB -0.082 41.836 42.059 -0.236 0.000 0.905 1494 L HN 0.548 nan 8.230 nan 0.000 0.439 1495 C N -1.210 117.995 119.300 -0.157 0.000 2.448 1495 C HA 0.079 4.539 4.460 0.000 0.000 0.280 1495 C C 1.231 176.182 174.990 -0.066 0.000 1.398 1495 C CA -0.043 58.904 59.018 -0.118 0.000 1.774 1495 C CB -1.149 26.534 27.740 -0.094 0.000 1.888 1495 C HN 0.602 nan 8.230 nan 0.000 0.519 1496 N N 1.101 119.774 118.700 -0.045 0.000 2.752 1496 N HA 0.304 5.044 4.740 0.000 0.000 0.260 1496 N C -1.749 173.750 175.510 -0.018 0.000 1.562 1496 N CA -1.793 51.240 53.050 -0.028 0.000 0.788 1496 N CB 0.860 39.338 38.487 -0.015 0.000 1.192 1496 N HN 0.221 nan 8.380 nan 0.000 0.503 1497 P HA -0.064 nan 4.420 nan 0.000 0.215 1497 P C 1.412 178.709 177.300 -0.006 0.000 1.153 1497 P CA 1.071 64.164 63.100 -0.012 0.000 0.853 1497 P CB 0.175 31.863 31.700 -0.019 0.000 0.788 1498 G N 0.630 109.419 108.800 -0.017 0.000 2.440 1498 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 1498 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 1498 G C 1.668 176.551 174.900 -0.028 0.000 1.154 1498 G CA 0.425 45.511 45.100 -0.023 0.000 0.767 1498 G HN 0.244 nan 8.290 nan 0.000 0.552 1499 L N 0.326 121.532 121.223 -0.028 0.000 2.044 1499 L HA 0.053 4.394 4.340 0.000 0.000 0.205 1499 L C 3.311 180.167 176.870 -0.024 0.000 1.075 1499 L CA 1.348 56.164 54.840 -0.040 0.000 0.747 1499 L CB -0.442 41.595 42.059 -0.037 0.000 0.903 1499 L HN 0.332 nan 8.230 nan 0.000 0.435 1500 A N -0.042 122.792 122.820 0.022 0.000 1.883 1500 A HA -0.316 4.004 4.320 0.000 0.000 0.217 1500 A C 2.159 179.810 177.584 0.111 0.000 1.186 1500 A CA 2.129 54.233 52.037 0.112 0.000 0.624 1500 A CB -0.654 18.423 19.000 0.130 0.000 0.822 1500 A HN 0.620 nan 8.150 nan 0.000 0.444 1501 E N -0.316 119.917 120.200 0.056 0.000 2.051 1501 E HA -0.171 4.179 4.350 0.000 0.000 0.192 1501 E C 2.008 178.623 176.600 0.024 0.000 0.991 1501 E CA 1.059 57.486 56.400 0.045 0.000 0.799 1501 E CB -0.264 29.447 29.700 0.019 0.000 0.748 1501 E HN 0.570 nan 8.360 nan 0.000 0.449 1502 L N 0.752 121.972 121.223 -0.005 0.000 1.989 1502 L HA -0.222 4.118 4.340 0.000 0.000 0.211 1502 L C 2.511 179.373 176.870 -0.012 0.000 1.071 1502 L CA 1.564 56.397 54.840 -0.011 0.000 0.749 1502 L CB -0.280 41.748 42.059 -0.052 0.000 0.890 1502 L HN 0.332 nan 8.230 nan 0.000 0.431 1503 I N -0.235 120.293 120.570 -0.069 0.000 2.226 1503 I HA -0.290 3.880 4.170 0.000 0.000 0.245 1503 I C 2.762 178.804 176.117 -0.125 0.000 1.100 1503 I CA 1.203 62.388 61.300 -0.192 0.000 1.374 1503 I CB -0.442 37.277 38.000 -0.468 0.000 1.057 1503 I HN 0.305 nan 8.210 nan 0.000 0.413 1504 A N 0.253 123.102 122.820 0.047 0.000 1.902 1504 A HA -0.239 4.081 4.320 0.000 0.000 0.217 1504 A C 2.197 179.821 177.584 0.066 0.000 1.181 1504 A CA 1.733 53.873 52.037 0.170 0.000 0.623 1504 A CB -0.603 18.523 19.000 0.209 0.000 0.818 1504 A HN 0.441 nan 8.150 nan 0.000 0.443 1505 E N -0.538 119.679 120.200 0.028 0.000 2.204 1505 E HA -0.141 4.209 4.350 0.000 0.000 0.195 1505 E C 1.755 178.347 176.600 -0.014 0.000 0.990 1505 E CA 1.034 57.444 56.400 0.016 0.000 0.821 1505 E CB 0.036 29.746 29.700 0.017 0.000 0.750 1505 E HN 0.474 nan 8.360 nan 0.000 0.477 1506 K N -0.064 120.278 120.400 -0.098 0.000 2.276 1506 K HA 0.087 4.407 4.320 0.000 0.000 0.198 1506 K C 1.875 178.421 176.600 -0.089 0.000 1.052 1506 K CA 0.673 56.824 56.287 -0.228 0.000 0.984 1506 K CB 0.748 32.783 32.500 -0.775 0.000 0.836 1506 K HN 0.261 nan 8.250 nan 0.000 0.490 1507 I N -3.986 116.549 120.570 -0.059 0.000 4.442 1507 I HA 0.360 4.530 4.170 0.000 0.000 0.331 1507 I C 0.324 176.494 176.117 0.088 0.000 1.364 1507 I CA -0.390 60.930 61.300 0.033 0.000 1.207 1507 I CB 1.149 39.148 38.000 -0.002 0.000 1.298 1507 I HN 0.057 nan 8.210 nan 0.000 0.463 1508 G N 2.920 111.782 108.800 0.102 0.000 2.712 1508 G HA2 -0.185 3.775 3.960 0.000 0.000 0.683 1508 G HA3 -0.185 3.775 3.960 0.000 0.000 0.683 1508 G C -0.007 175.018 174.900 0.209 0.000 1.320 1508 G CA 0.040 45.213 45.100 0.122 0.000 0.847 1508 G HN 0.623 nan 8.290 nan 0.000 0.553 1509 E N -0.491 119.775 120.200 0.110 0.000 2.463 1509 E HA 0.173 4.523 4.350 0.000 0.000 0.193 1509 E C 0.669 177.191 176.600 -0.130 0.000 1.041 1509 E CA 0.319 56.708 56.400 -0.017 0.000 0.879 1509 E CB 0.381 30.059 29.700 -0.036 0.000 0.997 1509 E HN 0.366 nan 8.360 nan 0.000 0.478 1510 D N 1.537 121.943 120.400 0.011 0.000 2.178 1510 D HA -0.206 4.434 4.640 0.000 0.000 0.201 1510 D C 1.666 177.952 176.300 -0.023 0.000 0.980 1510 D CA 1.133 55.135 54.000 0.005 0.000 0.842 1510 D CB -0.370 40.461 40.800 0.053 0.000 0.948 1510 D HN 0.549 nan 8.370 nan 0.000 0.472 1511 Y N -0.103 120.198 120.300 0.002 0.000 2.298 1511 Y HA -0.176 4.374 4.550 0.000 0.000 0.287 1511 Y C 1.898 177.780 175.900 -0.031 0.000 1.164 1511 Y CA 0.609 58.701 58.100 -0.013 0.000 1.229 1511 Y CB -0.865 37.583 38.460 -0.020 0.000 0.977 1511 Y HN -0.154 nan 8.280 nan 0.000 0.538 1512 V N 0.811 120.263 119.914 -0.770 0.000 2.490 1512 V HA -0.224 3.896 4.120 0.000 0.000 0.250 1512 V C 2.100 178.011 176.094 -0.306 0.000 1.061 1512 V CA 2.259 64.183 62.300 -0.627 0.000 1.064 1512 V CB -0.518 30.856 31.823 -0.747 0.000 0.670 1512 V HN 0.435 nan 8.190 nan 0.000 0.461 1513 K N -0.889 119.422 120.400 -0.148 0.000 2.354 1513 K HA 0.095 4.415 4.320 0.000 0.000 0.194 1513 K C 0.162 176.758 176.600 -0.008 0.000 1.038 1513 K CA 0.235 56.502 56.287 -0.033 0.000 1.052 1513 K CB 0.500 33.028 32.500 0.047 0.000 0.861 1513 K HN 0.281 nan 8.250 nan 0.000 0.535 1514 D N 0.723 121.122 120.400 -0.002 0.000 2.429 1514 D HA 0.050 4.690 4.640 0.000 0.000 0.255 1514 D C 0.195 176.532 176.300 0.060 0.000 1.257 1514 D CA -0.280 53.736 54.000 0.026 0.000 0.890 1514 D CB 0.769 41.587 40.800 0.030 0.000 1.267 1514 D HN -0.154 nan 8.370 nan 0.000 0.521 1515 L N 2.254 123.516 121.223 0.064 0.000 2.349 1515 L HA -0.096 4.244 4.340 0.000 0.000 0.220 1515 L C 2.174 179.085 176.870 0.068 0.000 1.130 1515 L CA 1.835 56.739 54.840 0.106 0.000 0.791 1515 L CB -0.457 41.657 42.059 0.093 0.000 0.918 1515 L HN 0.454 nan 8.230 nan 0.000 0.444 1516 S N -1.938 113.783 115.700 0.035 0.000 2.469 1516 S HA -0.206 4.264 4.470 0.000 0.000 0.238 1516 S C 1.720 176.335 174.600 0.025 0.000 0.998 1516 S CA 0.698 58.906 58.200 0.013 0.000 0.957 1516 S CB -0.460 62.740 63.200 0.000 0.000 0.764 1516 S HN 0.553 nan 8.310 nan 0.000 0.514 1517 Q N 0.743 120.576 119.800 0.055 0.000 2.437 1517 Q HA 0.156 4.496 4.340 0.000 0.000 0.210 1517 Q C 1.956 177.970 176.000 0.024 0.000 0.972 1517 Q CA 0.531 56.371 55.803 0.062 0.000 0.903 1517 Q CB -0.470 28.340 28.738 0.119 0.000 0.967 1517 Q HN 0.623 nan 8.270 nan 0.000 0.486 1518 L N 0.832 122.052 121.223 -0.005 0.000 2.362 1518 L HA -0.134 4.206 4.340 0.000 0.000 0.219 1518 L C 2.427 179.210 176.870 -0.145 0.000 1.134 1518 L CA 1.488 56.271 54.840 -0.096 0.000 0.807 1518 L CB -0.743 41.262 42.059 -0.089 0.000 0.927 1518 L HN 0.305 nan 8.230 nan 0.000 0.447 1519 T N -3.539 110.958 114.554 -0.096 0.000 3.007 1519 T HA -0.195 4.155 4.350 0.000 0.000 0.270 1519 T C 1.706 176.356 174.700 -0.083 0.000 1.107 1519 T CA 0.837 62.862 62.100 -0.124 0.000 1.118 1519 T CB -0.142 68.759 68.868 0.055 0.000 0.889 1519 T HN 0.182 nan 8.240 nan 0.000 0.506 1520 K N 0.441 120.823 120.400 -0.030 0.000 2.442 1520 K HA 0.256 4.576 4.320 0.000 0.000 0.198 1520 K C 1.754 178.406 176.600 0.085 0.000 1.042 1520 K CA 0.473 56.783 56.287 0.038 0.000 0.958 1520 K CB -0.310 32.223 32.500 0.055 0.000 0.766 1520 K HN 0.387 nan 8.250 nan 0.000 0.474 1521 L N -0.323 120.873 121.223 -0.045 0.000 2.551 1521 L HA -0.094 4.246 4.340 0.000 0.000 0.228 1521 L C 1.330 178.257 176.870 0.094 0.000 1.153 1521 L CA 0.710 55.542 54.840 -0.013 0.000 0.851 1521 L CB -0.326 41.627 42.059 -0.176 0.000 0.959 1521 L HN 0.321 nan 8.230 nan 0.000 0.451 1522 H N -1.590 117.538 119.070 0.096 0.000 2.521 1522 H HA -0.067 4.489 4.556 0.000 0.000 0.286 1522 H C 2.294 177.618 175.328 -0.006 0.000 1.034 1522 H CA 0.822 56.899 56.048 0.047 0.000 1.278 1522 H CB 0.333 30.103 29.762 0.013 0.000 1.386 1522 H HN 0.238 nan 8.280 nan 0.000 0.567 1523 S N 0.205 115.923 115.700 0.032 0.000 2.447 1523 S HA -0.088 4.382 4.470 0.000 0.000 0.233 1523 S C 0.544 174.854 174.600 -0.485 0.000 1.006 1523 S CA 0.744 58.769 58.200 -0.291 0.000 0.957 1523 S CB -0.050 62.828 63.200 -0.537 0.000 0.773 1523 S HN 0.319 nan 8.310 nan 0.000 0.507 1524 F N 0.759 120.604 119.950 -0.176 0.000 2.730 1524 F HA 0.423 4.950 4.527 0.000 0.000 0.295 1524 F C 1.190 176.962 175.800 -0.046 0.000 1.143 1524 F CA -0.530 57.330 58.000 -0.234 0.000 1.367 1524 F CB -0.677 37.880 39.000 -0.739 0.000 0.970 1524 F HN 0.065 nan 8.300 nan 0.000 0.514 1525 L N -0.013 121.283 121.223 0.122 0.000 2.056 1525 L HA -0.080 4.260 4.340 0.000 0.000 0.207 1525 L C 2.388 179.328 176.870 0.116 0.000 1.078 1525 L CA 1.508 56.432 54.840 0.140 0.000 0.749 1525 L CB -0.555 41.562 42.059 0.097 0.000 0.901 1525 L HN 0.408 nan 8.230 nan 0.000 0.433 1526 G N -1.928 106.912 108.800 0.067 0.000 3.233 1526 G HA2 -0.097 3.863 3.960 0.000 0.000 0.227 1526 G HA3 -0.097 3.863 3.960 0.000 0.000 0.227 1526 G C 0.097 175.045 174.900 0.080 0.000 1.175 1526 G CA -0.230 44.905 45.100 0.058 0.000 0.781 1526 G HN 0.098 nan 8.290 nan 0.000 0.542 1527 D N 0.943 121.426 120.400 0.138 0.000 2.453 1527 D HA 0.146 4.786 4.640 0.000 0.000 0.223 1527 D C 0.355 176.783 176.300 0.213 0.000 1.183 1527 D CA -0.315 53.796 54.000 0.185 0.000 0.933 1527 D CB 0.816 41.783 40.800 0.277 0.000 1.038 1527 D HN 0.079 nan 8.370 nan 0.000 0.513 1528 D N 1.769 122.249 120.400 0.134 0.000 2.178 1528 D HA -0.137 4.503 4.640 0.000 0.000 0.201 1528 D C 2.103 178.462 176.300 0.100 0.000 0.980 1528 D CA 0.676 54.737 54.000 0.102 0.000 0.842 1528 D CB 0.444 41.282 40.800 0.064 0.000 0.948 1528 D HN 0.247 nan 8.370 nan 0.000 0.472 1529 V N 0.364 120.350 119.914 0.120 0.000 2.427 1529 V HA -0.189 3.931 4.120 0.000 0.000 0.248 1529 V C 1.855 178.025 176.094 0.128 0.000 1.051 1529 V CA 1.094 63.456 62.300 0.103 0.000 1.048 1529 V CB -0.492 31.394 31.823 0.106 0.000 0.666 1529 V HN 0.179 nan 8.190 nan 0.000 0.456 1530 F N 0.632 120.612 119.950 0.050 0.000 2.128 1530 F HA -0.095 4.432 4.527 0.000 0.000 0.295 1530 F C 2.032 177.839 175.800 0.012 0.000 1.100 1530 F CA 1.543 59.560 58.000 0.029 0.000 1.260 1530 F CB -0.305 38.739 39.000 0.074 0.000 1.009 1530 F HN 0.011 nan 8.300 nan 0.000 0.476 1531 L N 0.000 121.232 121.223 0.014 0.000 2.081 1531 L HA -0.241 4.099 4.340 0.000 0.000 0.212 1531 L C 2.635 179.415 176.870 -0.150 0.000 1.080 1531 L CA 1.570 56.351 54.840 -0.099 0.000 0.754 1531 L CB -0.663 41.429 42.059 0.056 0.000 0.893 1531 L HN 0.099 nan 8.230 nan 0.000 0.433 1532 R N -0.033 120.414 120.500 -0.088 0.000 2.092 1532 R HA -0.138 4.202 4.340 0.000 0.000 0.231 1532 R C 2.203 178.427 176.300 -0.127 0.000 1.119 1532 R CA 1.171 57.222 56.100 -0.080 0.000 0.970 1532 R CB 0.018 30.297 30.300 -0.035 0.000 0.864 1532 R HN 0.390 nan 8.270 nan 0.000 0.440 1533 E N -0.064 120.028 120.200 -0.181 0.000 2.072 1533 E HA -0.198 4.152 4.350 0.000 0.000 0.191 1533 E C 1.798 178.233 176.600 -0.274 0.000 0.985 1533 E CA 0.940 57.221 56.400 -0.200 0.000 0.801 1533 E CB -0.066 29.521 29.700 -0.188 0.000 0.750 1533 E HN 0.121 nan 8.360 nan 0.000 0.452 1534 L N 1.213 122.163 121.223 -0.454 0.000 1.970 1534 L HA -0.201 4.139 4.340 0.000 0.000 0.212 1534 L C 2.267 179.017 176.870 -0.200 0.000 1.071 1534 L CA 2.259 56.857 54.840 -0.405 0.000 0.751 1534 L CB -0.750 41.000 42.059 -0.514 0.000 0.889 1534 L HN 0.066 nan 8.230 nan 0.000 0.432 1535 A N -0.627 122.100 122.820 -0.155 0.000 1.940 1535 A HA -0.311 4.009 4.320 0.000 0.000 0.219 1535 A C 2.381 179.912 177.584 -0.089 0.000 1.176 1535 A CA 2.175 54.160 52.037 -0.087 0.000 0.631 1535 A CB -0.700 18.255 19.000 -0.076 0.000 0.814 1535 A HN 0.551 nan 8.150 nan 0.000 0.446 1536 K N -0.297 120.043 120.400 -0.101 0.000 2.026 1536 K HA -0.093 4.227 4.320 0.000 0.000 0.208 1536 K C 1.663 178.216 176.600 -0.077 0.000 1.048 1536 K CA 1.769 58.007 56.287 -0.082 0.000 0.929 1536 K CB -0.504 31.950 32.500 -0.077 0.000 0.713 1536 K HN 0.142 nan 8.250 nan 0.000 0.439 1537 V N 1.454 121.314 119.914 -0.090 0.000 2.287 1537 V HA -0.273 3.847 4.120 0.000 0.000 0.248 1537 V C 2.430 178.486 176.094 -0.063 0.000 1.053 1537 V CA 2.260 64.514 62.300 -0.076 0.000 1.027 1537 V CB -0.592 31.176 31.823 -0.090 0.000 0.646 1537 V HN 0.437 nan 8.190 nan 0.000 0.447 1538 K N 0.189 120.552 120.400 -0.063 0.000 2.147 1538 K HA -0.216 4.104 4.320 0.000 0.000 0.205 1538 K C 2.104 178.656 176.600 -0.079 0.000 1.049 1538 K CA 1.589 57.845 56.287 -0.051 0.000 0.936 1538 K CB -0.426 32.063 32.500 -0.018 0.000 0.722 1538 K HN 0.376 nan 8.250 nan 0.000 0.446 1539 Q N 1.156 120.907 119.800 -0.080 0.000 2.084 1539 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 1539 Q C 1.571 177.526 176.000 -0.075 0.000 0.978 1539 Q CA 2.011 57.760 55.803 -0.091 0.000 0.844 1539 Q CB -0.119 28.574 28.738 -0.075 0.000 0.898 1539 Q HN 0.536 nan 8.270 nan 0.000 0.426 1540 E N -0.462 119.706 120.200 -0.053 0.000 2.153 1540 E HA -0.156 4.194 4.350 0.000 0.000 0.194 1540 E C 1.802 178.391 176.600 -0.018 0.000 0.988 1540 E CA 1.064 57.445 56.400 -0.031 0.000 0.811 1540 E CB -0.153 29.531 29.700 -0.027 0.000 0.746 1540 E HN 0.508 nan 8.360 nan 0.000 0.466 1541 N N 0.681 119.361 118.700 -0.032 0.000 2.080 1541 N HA -0.147 4.593 4.740 0.000 0.000 0.189 1541 N C 1.680 177.195 175.510 0.008 0.000 1.036 1541 N CA 0.948 53.989 53.050 -0.014 0.000 0.846 1541 N CB 0.018 38.482 38.487 -0.039 0.000 1.015 1541 N HN 0.007 nan 8.380 nan 0.000 0.423 1542 K N 0.740 121.080 120.400 -0.100 0.000 2.103 1542 K HA -0.120 4.200 4.320 0.000 0.000 0.207 1542 K C 1.994 178.571 176.600 -0.037 0.000 1.048 1542 K CA 0.850 56.994 56.287 -0.237 0.000 0.930 1542 K CB -0.168 31.982 32.500 -0.584 0.000 0.716 1542 K HN 0.116 nan 8.250 nan 0.000 0.444 1543 L N 1.276 122.489 121.223 -0.017 0.000 2.027 1543 L HA -0.197 4.143 4.340 0.000 0.000 0.206 1543 L C 2.488 179.417 176.870 0.098 0.000 1.074 1543 L CA 1.510 56.373 54.840 0.038 0.000 0.745 1543 L CB -0.196 41.871 42.059 0.013 0.000 0.898 1543 L HN 0.072 nan 8.230 nan 0.000 0.433 1544 K N -1.021 119.443 120.400 0.107 0.000 2.032 1544 K HA -0.259 4.061 4.320 0.000 0.000 0.209 1544 K C 2.143 178.888 176.600 0.241 0.000 1.048 1544 K CA 1.805 58.178 56.287 0.142 0.000 0.927 1544 K CB -0.262 32.307 32.500 0.116 0.000 0.712 1544 K HN 0.139 nan 8.250 nan 0.000 0.441 1545 F N 1.150 121.172 119.950 0.120 0.000 2.234 1545 F HA -0.079 4.448 4.527 0.000 0.000 0.299 1545 F C 2.208 178.211 175.800 0.338 0.000 1.087 1545 F CA 1.124 59.251 58.000 0.212 0.000 1.340 1545 F CB -0.372 38.745 39.000 0.195 0.000 1.031 1545 F HN -0.018 nan 8.300 nan 0.000 0.500 1546 S N -0.053 115.800 115.700 0.254 0.000 2.382 1546 S HA -0.236 4.234 4.470 0.000 0.000 0.228 1546 S C 1.912 176.559 174.600 0.078 0.000 1.027 1546 S CA 1.445 59.755 58.200 0.183 0.000 0.991 1546 S CB -0.285 63.050 63.200 0.225 0.000 0.823 1546 S HN 0.520 nan 8.310 nan 0.000 0.469 1547 Q N -0.271 119.591 119.800 0.102 0.000 2.050 1547 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 1547 Q C 1.947 177.986 176.000 0.064 0.000 0.980 1547 Q CA 1.679 57.529 55.803 0.077 0.000 0.840 1547 Q CB -0.384 28.410 28.738 0.094 0.000 0.898 1547 Q HN 0.637 nan 8.270 nan 0.000 0.424 1548 F N 1.468 121.379 119.950 -0.066 0.000 2.065 1548 F HA -0.261 4.266 4.527 0.000 0.000 0.298 1548 F C 1.787 177.519 175.800 -0.114 0.000 1.112 1548 F CA 1.459 59.403 58.000 -0.093 0.000 1.212 1548 F CB -0.268 38.656 39.000 -0.126 0.000 0.975 1548 F HN -0.038 nan 8.300 nan 0.000 0.476 1549 L N 0.285 121.382 121.223 -0.210 0.000 2.012 1549 L HA -0.226 4.114 4.340 0.000 0.000 0.210 1549 L C 2.557 179.390 176.870 -0.062 0.000 1.073 1549 L CA 1.851 56.591 54.840 -0.167 0.000 0.748 1549 L CB -0.887 41.065 42.059 -0.179 0.000 0.891 1549 L HN 0.235 nan 8.230 nan 0.000 0.431 1550 E N -0.460 119.705 120.200 -0.060 0.000 2.110 1550 E HA -0.226 4.124 4.350 0.000 0.000 0.193 1550 E C 2.158 178.717 176.600 -0.069 0.000 0.988 1550 E CA 1.946 58.326 56.400 -0.033 0.000 0.804 1550 E CB -0.227 29.466 29.700 -0.011 0.000 0.745 1550 E HN 0.617 nan 8.360 nan 0.000 0.458 1551 T N -0.675 113.807 114.554 -0.119 0.000 2.942 1551 T HA -0.060 4.290 4.350 0.000 0.000 0.265 1551 T C 1.711 176.269 174.700 -0.236 0.000 1.062 1551 T CA 0.634 62.649 62.100 -0.141 0.000 1.139 1551 T CB 0.167 68.967 68.868 -0.113 0.000 0.883 1551 T HN -0.073 nan 8.240 nan 0.000 0.468 1552 E N 0.739 120.700 120.200 -0.397 0.000 2.021 1552 E HA 0.123 4.473 4.350 0.000 0.000 0.189 1552 E C -0.141 176.096 176.600 -0.604 0.000 0.980 1552 E CA 0.834 56.864 56.400 -0.617 0.000 0.803 1552 E CB -0.165 28.920 29.700 -1.024 0.000 0.766 1552 E HN 0.650 nan 8.360 nan 0.000 0.449 1553 Y N 0.435 120.606 120.300 -0.215 0.000 2.387 1553 Y HA 0.307 4.857 4.550 0.000 0.000 0.330 1553 Y C 0.665 176.504 175.900 -0.102 0.000 1.133 1553 Y CA -0.862 57.162 58.100 -0.127 0.000 1.152 1553 Y CB 0.787 39.180 38.460 -0.111 0.000 1.215 1553 Y HN -0.263 nan 8.280 nan 0.000 0.466 1554 K N 2.267 122.704 120.400 0.062 0.000 2.155 1554 K HA 0.484 4.804 4.320 0.000 0.000 0.240 1554 K C -1.714 174.905 176.600 0.031 0.000 1.193 1554 K CA 0.133 56.434 56.287 0.023 0.000 1.104 1554 K CB -0.513 31.992 32.500 0.009 0.000 1.558 1554 K HN 0.560 nan 8.250 nan 0.000 0.313 1555 V N 2.785 122.715 119.914 0.027 0.000 2.891 1555 V HA 0.162 4.282 4.120 0.000 0.000 0.304 1555 V C -1.134 174.958 176.094 -0.004 0.000 1.171 1555 V CA -1.088 61.215 62.300 0.005 0.000 0.943 1555 V CB 2.052 33.867 31.823 -0.014 0.000 1.037 1555 V HN 0.389 nan 8.190 nan 0.000 0.427 1556 K N 4.845 125.242 120.400 -0.004 0.000 2.273 1556 K HA 0.463 4.783 4.320 0.000 0.000 0.287 1556 K C -0.506 176.093 176.600 -0.001 0.000 1.089 1556 K CA -0.255 56.033 56.287 0.002 0.000 0.909 1556 K CB 0.053 32.556 32.500 0.006 0.000 1.123 1556 K HN 0.425 nan 8.250 nan 0.000 0.473 1557 I N 3.071 123.646 120.570 0.009 0.000 2.581 1557 I HA 0.082 4.252 4.170 0.000 0.000 0.288 1557 I C 0.441 176.594 176.117 0.059 0.000 1.047 1557 I CA -0.407 60.907 61.300 0.023 0.000 1.374 1557 I CB 0.924 38.960 38.000 0.061 0.000 1.423 1557 I HN 0.624 nan 8.210 nan 0.000 0.549 1558 N N 8.370 127.112 118.700 0.070 0.000 2.558 1558 N HA 0.214 4.954 4.740 0.000 0.000 0.233 1558 N C -1.728 173.871 175.510 0.147 0.000 1.038 1558 N CA -2.170 50.925 53.050 0.075 0.000 0.934 1558 N CB 1.121 39.627 38.487 0.033 0.000 1.175 1558 N HN 0.231 nan 8.380 nan 0.000 0.512 1559 P HA -0.157 nan 4.420 nan 0.000 0.219 1559 P C 0.655 177.973 177.300 0.030 0.000 1.144 1559 P CA 1.201 64.352 63.100 0.084 0.000 0.806 1559 P CB 0.168 31.893 31.700 0.040 0.000 0.771 1560 S N -2.064 113.660 115.700 0.041 0.000 2.556 1560 S HA 0.112 4.582 4.470 0.000 0.000 0.216 1560 S C 0.907 175.540 174.600 0.054 0.000 0.970 1560 S CA -0.365 57.849 58.200 0.024 0.000 0.912 1560 S CB -0.796 62.410 63.200 0.009 0.000 0.790 1560 S HN 0.213 nan 8.310 nan 0.000 0.504 1561 S N 1.683 117.431 115.700 0.081 0.000 2.592 1561 S HA 0.464 4.934 4.470 0.000 0.000 0.271 1561 S C 0.016 174.637 174.600 0.035 0.000 1.326 1561 S CA -0.828 57.386 58.200 0.024 0.000 1.024 1561 S CB 0.370 63.584 63.200 0.024 0.000 0.921 1561 S HN 0.501 nan 8.310 nan 0.000 0.527 1562 M N 2.669 122.088 119.600 -0.302 0.000 2.217 1562 M HA 0.271 4.751 4.480 0.000 0.000 0.352 1562 M C -1.594 174.689 176.300 -0.029 0.000 1.376 1562 M CA -0.238 54.745 55.300 -0.528 0.000 1.107 1562 M CB -0.289 31.566 32.600 -1.242 0.000 1.723 1562 M HN 0.689 nan 8.290 nan 0.000 0.461 1563 F N 4.028 123.866 119.950 -0.186 0.000 2.405 1563 F HA 0.189 4.716 4.527 0.000 0.000 0.358 1563 F C 0.415 176.156 175.800 -0.098 0.000 1.151 1563 F CA -0.681 57.269 58.000 -0.084 0.000 1.161 1563 F CB -0.078 38.934 39.000 0.019 0.000 1.245 1563 F HN 0.450 nan 8.300 nan 0.000 0.545 1564 D N 4.254 124.610 120.400 -0.073 0.000 2.380 1564 D HA 0.340 4.980 4.640 0.000 0.000 0.230 1564 D C -0.970 175.247 176.300 -0.139 0.000 1.154 1564 D CA 0.022 53.952 54.000 -0.117 0.000 0.859 1564 D CB 0.955 41.666 40.800 -0.147 0.000 1.045 1564 D HN 0.151 nan 8.370 nan 0.000 0.495 1565 V N 4.326 124.143 119.914 -0.162 0.000 2.540 1565 V HA 0.385 4.505 4.120 0.000 0.000 0.302 1565 V C -0.159 175.759 176.094 -0.293 0.000 1.035 1565 V CA -0.852 61.337 62.300 -0.185 0.000 0.873 1565 V CB 1.800 33.588 31.823 -0.057 0.000 0.992 1565 V HN 0.515 nan 8.190 nan 0.000 0.428 1566 Q N 3.793 123.450 119.800 -0.238 0.000 2.397 1566 Q HA 0.640 4.980 4.340 0.000 0.000 0.260 1566 Q C -1.588 174.252 176.000 -0.267 0.000 1.002 1566 Q CA -0.464 55.194 55.803 -0.242 0.000 0.716 1566 Q CB 1.922 30.543 28.738 -0.195 0.000 1.258 1566 Q HN 0.774 nan 8.270 nan 0.000 0.477 1567 V N 1.666 121.418 119.914 -0.269 0.000 2.487 1567 V HA 0.854 4.974 4.120 0.000 0.000 0.298 1567 V C -0.733 175.119 176.094 -0.404 0.000 1.028 1567 V CA -0.557 61.404 62.300 -0.566 0.000 0.860 1567 V CB 1.117 32.362 31.823 -0.964 0.000 0.991 1567 V HN 0.880 nan 8.190 nan 0.000 0.427 1568 K N 2.430 122.643 120.400 -0.311 0.000 3.073 1568 K HA 0.458 4.778 4.320 0.000 0.000 0.300 1568 K C -1.276 175.358 176.600 0.057 0.000 1.082 1568 K CA -1.246 55.045 56.287 0.007 0.000 0.803 1568 K CB 0.837 33.313 32.500 -0.039 0.000 1.488 1568 K HN 0.373 nan 8.250 nan 0.000 0.372 1569 R N 0.936 121.502 120.500 0.109 0.000 2.590 1569 R HA 0.213 4.553 4.340 0.000 0.000 0.274 1569 R C 0.194 176.533 176.300 0.065 0.000 1.061 1569 R CA -0.443 55.733 56.100 0.127 0.000 1.081 1569 R CB -0.195 30.208 30.300 0.172 0.000 0.984 1569 R HN 0.472 nan 8.270 nan 0.000 0.448 1570 I N 3.943 124.559 120.570 0.076 0.000 2.505 1570 I HA 0.080 4.250 4.170 0.000 0.000 0.287 1570 I C 0.510 176.619 176.117 -0.012 0.000 1.104 1570 I CA 0.478 61.782 61.300 0.007 0.000 1.387 1570 I CB -0.680 37.328 38.000 0.012 0.000 1.404 1570 I HN 0.485 nan 8.210 nan 0.000 0.528 1571 H N 3.498 122.472 119.070 -0.160 0.000 3.038 1571 H HA 0.219 4.775 4.556 0.000 0.000 0.362 1571 H C 0.637 175.822 175.328 -0.237 0.000 1.167 1571 H CA -0.479 55.499 56.048 -0.117 0.000 1.197 1571 H CB 1.943 31.624 29.762 -0.135 0.000 1.840 1571 H HN 0.584 nan 8.280 nan 0.000 0.540 1572 E N 2.009 122.326 120.200 0.195 0.000 2.085 1572 E HA -0.267 4.083 4.350 0.000 0.000 0.194 1572 E C 1.251 177.632 176.600 -0.364 0.000 0.994 1572 E CA 1.644 58.078 56.400 0.057 0.000 0.801 1572 E CB -0.022 29.906 29.700 0.379 0.000 0.743 1572 E HN 0.634 nan 8.360 nan 0.000 0.453 1573 Y N 0.945 120.677 120.300 -0.948 0.000 2.421 1573 Y HA -0.041 4.509 4.550 0.000 0.000 0.292 1573 Y C 1.596 177.162 175.900 -0.557 0.000 1.136 1573 Y CA 0.887 58.120 58.100 -1.445 0.000 1.255 1573 Y CB -0.120 37.511 38.460 -1.382 0.000 0.991 1573 Y HN -0.203 nan 8.280 nan 0.000 0.552 1574 K N 0.512 120.362 120.400 -0.916 0.000 2.296 1574 K HA 0.058 4.378 4.320 0.000 0.000 0.200 1574 K C 0.184 176.584 176.600 -0.334 0.000 1.048 1574 K CA 0.573 56.452 56.287 -0.679 0.000 0.966 1574 K CB 0.013 32.118 32.500 -0.658 0.000 0.754 1574 K HN 0.217 nan 8.250 nan 0.000 0.466 1575 R N 0.234 120.579 120.500 -0.258 0.000 3.332 1575 R HA -0.208 4.132 4.340 0.000 0.000 0.263 1575 R C 0.310 176.522 176.300 -0.147 0.000 1.053 1575 R CA 0.170 56.175 56.100 -0.160 0.000 0.705 1575 R CB -1.896 28.320 30.300 -0.140 0.000 1.166 1575 R HN 0.241 nan 8.270 nan 0.000 0.427 1576 Q N 0.166 119.885 119.800 -0.135 0.000 2.291 1576 Q HA 0.015 4.355 4.340 0.000 0.000 0.205 1576 Q C 1.912 177.865 176.000 -0.078 0.000 0.970 1576 Q CA 1.062 56.800 55.803 -0.107 0.000 0.876 1576 Q CB 0.112 28.797 28.738 -0.088 0.000 0.935 1576 Q HN 0.567 nan 8.270 nan 0.000 0.455 1577 L N -0.283 120.896 121.223 -0.074 0.000 2.056 1577 L HA -0.168 4.172 4.340 0.000 0.000 0.207 1577 L C 1.980 178.848 176.870 -0.003 0.000 1.078 1577 L CA 0.837 55.647 54.840 -0.049 0.000 0.749 1577 L CB -0.269 41.766 42.059 -0.040 0.000 0.901 1577 L HN 0.356 nan 8.230 nan 0.000 0.433 1578 L N 0.284 121.494 121.223 -0.021 0.000 2.012 1578 L HA -0.298 4.042 4.340 0.000 0.000 0.210 1578 L C 2.082 178.994 176.870 0.070 0.000 1.073 1578 L CA 2.163 57.005 54.840 0.004 0.000 0.748 1578 L CB -1.056 40.896 42.059 -0.178 0.000 0.891 1578 L HN 0.334 nan 8.230 nan 0.000 0.431 1579 N N -1.593 117.105 118.700 -0.003 0.000 2.104 1579 N HA -0.276 4.464 4.740 0.000 0.000 0.190 1579 N C 2.105 177.708 175.510 0.154 0.000 1.024 1579 N CA 1.432 54.561 53.050 0.132 0.000 0.853 1579 N CB -0.242 38.255 38.487 0.017 0.000 1.008 1579 N HN 0.590 nan 8.380 nan 0.000 0.424 1580 C N 0.686 120.014 119.300 0.046 0.000 2.422 1580 C HA 0.022 4.482 4.460 0.000 0.000 0.279 1580 C C 2.505 177.509 174.990 0.024 0.000 1.305 1580 C CA 0.281 59.286 59.018 -0.022 0.000 1.757 1580 C CB -1.322 26.351 27.740 -0.112 0.000 1.962 1580 C HN 0.473 nan 8.230 nan 0.000 0.499 1581 L N -0.517 120.789 121.223 0.139 0.000 2.156 1581 L HA -0.093 4.247 4.340 0.000 0.000 0.208 1581 L C 2.778 179.830 176.870 0.302 0.000 1.095 1581 L CA 1.613 56.586 54.840 0.221 0.000 0.770 1581 L CB -1.122 41.133 42.059 0.327 0.000 0.914 1581 L HN 0.553 nan 8.230 nan 0.000 0.439 1582 H N 0.056 119.265 119.070 0.231 0.000 2.428 1582 H HA -0.083 4.473 4.556 0.000 0.000 0.296 1582 H C 2.133 177.495 175.328 0.057 0.000 1.062 1582 H CA 1.388 57.502 56.048 0.110 0.000 1.350 1582 H CB 0.456 30.225 29.762 0.011 0.000 1.403 1582 H HN 0.091 nan 8.280 nan 0.000 0.533 1583 V N 1.269 121.194 119.914 0.018 0.000 2.358 1583 V HA -0.231 3.889 4.120 0.000 0.000 0.246 1583 V C 2.799 178.882 176.094 -0.019 0.000 1.047 1583 V CA 1.658 63.928 62.300 -0.050 0.000 1.035 1583 V CB -0.428 31.368 31.823 -0.044 0.000 0.658 1583 V HN 0.337 nan 8.190 nan 0.000 0.452 1584 I N -0.296 120.283 120.570 0.015 0.000 2.252 1584 I HA -0.209 3.961 4.170 0.000 0.000 0.245 1584 I C 2.511 178.748 176.117 0.200 0.000 1.102 1584 I CA 1.657 63.043 61.300 0.143 0.000 1.385 1584 I CB -0.591 37.493 38.000 0.140 0.000 1.064 1584 I HN 0.282 nan 8.210 nan 0.000 0.414 1585 T N 0.638 115.256 114.554 0.107 0.000 2.759 1585 T HA -0.181 4.169 4.350 0.000 0.000 0.269 1585 T C 1.922 176.602 174.700 -0.034 0.000 1.042 1585 T CA 1.391 63.533 62.100 0.071 0.000 1.140 1585 T CB -0.130 68.794 68.868 0.094 0.000 0.864 1585 T HN 0.258 nan 8.240 nan 0.000 0.455 1586 M N -0.483 119.042 119.600 -0.125 0.000 2.156 1586 M HA -0.022 4.458 4.480 0.000 0.000 0.264 1586 M C 2.179 178.506 176.300 0.044 0.000 1.067 1586 M CA 1.446 56.689 55.300 -0.094 0.000 1.131 1586 M CB -0.344 32.185 32.600 -0.119 0.000 1.368 1586 M HN 0.317 nan 8.290 nan 0.000 0.416 1587 Y N 1.711 122.010 120.300 -0.000 0.000 2.128 1587 Y HA -0.280 4.270 4.550 0.000 0.000 0.284 1587 Y C 2.022 177.948 175.900 0.043 0.000 1.154 1587 Y CA 1.838 59.972 58.100 0.056 0.000 1.149 1587 Y CB -0.489 38.042 38.460 0.118 0.000 0.976 1587 Y HN 0.260 nan 8.280 nan 0.000 0.505 1588 N N 0.616 119.340 118.700 0.040 0.000 2.149 1588 N HA -0.175 4.565 4.740 0.000 0.000 0.188 1588 N C 1.879 177.280 175.510 -0.182 0.000 1.019 1588 N CA 1.723 54.712 53.050 -0.101 0.000 0.857 1588 N CB -0.419 38.089 38.487 0.036 0.000 0.997 1588 N HN 0.455 nan 8.380 nan 0.000 0.426 1589 R N 0.429 120.831 120.500 -0.164 0.000 2.096 1589 R HA 0.080 4.420 4.340 0.000 0.000 0.235 1589 R C 2.179 178.311 176.300 -0.281 0.000 1.127 1589 R CA 0.702 56.667 56.100 -0.226 0.000 0.968 1589 R CB -0.196 29.935 30.300 -0.282 0.000 0.861 1589 R HN 0.262 nan 8.270 nan 0.000 0.440 1590 I N 0.849 121.251 120.570 -0.280 0.000 2.493 1590 I HA -0.243 3.927 4.170 0.000 0.000 0.254 1590 I C 1.870 177.858 176.117 -0.216 0.000 1.160 1590 I CA 1.096 62.254 61.300 -0.237 0.000 1.445 1590 I CB -0.131 37.802 38.000 -0.111 0.000 1.086 1590 I HN 0.093 nan 8.210 nan 0.000 0.433 1591 K N 0.897 121.130 120.400 -0.279 0.000 2.044 1591 K HA -0.108 4.212 4.320 0.000 0.000 0.204 1591 K C 1.910 178.410 176.600 -0.166 0.000 1.049 1591 K CA 0.809 56.955 56.287 -0.236 0.000 0.945 1591 K CB -0.404 31.912 32.500 -0.308 0.000 0.724 1591 K HN 0.186 nan 8.250 nan 0.000 0.440 1592 K N 1.214 121.514 120.400 -0.167 0.000 2.574 1592 K HA -0.118 4.202 4.320 0.000 0.000 0.193 1592 K C -0.434 176.094 176.600 -0.120 0.000 1.035 1592 K CA 0.684 56.893 56.287 -0.130 0.000 0.982 1592 K CB 0.216 32.642 32.500 -0.124 0.000 0.795 1592 K HN -0.010 nan 8.250 nan 0.000 0.491 1593 D N -0.850 119.470 120.400 -0.133 0.000 3.785 1593 D HA 0.082 4.722 4.640 0.000 0.000 0.241 1593 D C -2.451 173.777 176.300 -0.119 0.000 1.488 1593 D CA -0.791 53.138 54.000 -0.118 0.000 0.912 1593 D CB 0.689 41.411 40.800 -0.131 0.000 1.418 1593 D HN -0.108 nan 8.370 nan 0.000 0.749 1594 P HA -0.013 nan 4.420 nan 0.000 0.231 1594 P C 0.904 178.183 177.300 -0.035 0.000 1.158 1594 P CA 0.808 63.870 63.100 -0.063 0.000 0.763 1594 P CB 0.322 31.993 31.700 -0.048 0.000 0.805 1595 K N -0.994 119.381 120.400 -0.041 0.000 2.354 1595 K HA 0.067 4.387 4.320 0.000 0.000 0.194 1595 K C 0.805 177.393 176.600 -0.020 0.000 1.038 1595 K CA -0.175 56.099 56.287 -0.022 0.000 1.052 1595 K CB 0.157 32.644 32.500 -0.022 0.000 0.861 1595 K HN 0.024 nan 8.250 nan 0.000 0.535 1596 K N 2.284 122.654 120.400 -0.050 0.000 2.484 1596 K HA -0.005 4.315 4.320 0.000 0.000 0.280 1596 K C -0.275 176.324 176.600 -0.001 0.000 1.013 1596 K CA -0.255 55.999 56.287 -0.054 0.000 1.029 1596 K CB 0.262 32.686 32.500 -0.127 0.000 0.902 1596 K HN 0.029 nan 8.250 nan 0.000 0.481 1597 L N 3.016 124.254 121.223 0.026 0.000 2.628 1597 L HA 0.188 4.528 4.340 0.000 0.000 0.274 1597 L C -0.427 176.549 176.870 0.178 0.000 1.209 1597 L CA 0.474 55.362 54.840 0.080 0.000 0.930 1597 L CB -0.229 41.865 42.059 0.057 0.000 1.183 1597 L HN 0.443 nan 8.230 nan 0.000 0.492 1598 F N 2.812 122.750 119.950 -0.020 0.000 2.569 1598 F HA 0.566 5.093 4.527 0.000 0.000 0.312 1598 F C -0.428 175.357 175.800 -0.025 0.000 1.109 1598 F CA -1.355 56.628 58.000 -0.028 0.000 0.919 1598 F CB 2.118 41.096 39.000 -0.037 0.000 1.211 1598 F HN 0.193 nan 8.300 nan 0.000 0.446 1599 V N 7.298 127.105 119.914 -0.179 0.000 2.427 1599 V HA 0.185 4.305 4.120 0.000 0.000 0.268 1599 V C -1.801 173.879 176.094 -0.691 0.000 1.046 1599 V CA -1.361 60.749 62.300 -0.316 0.000 0.970 1599 V CB 0.632 32.322 31.823 -0.221 0.000 1.001 1599 V HN 0.469 nan 8.190 nan 0.000 0.476 1600 P HA 0.283 nan 4.420 nan 0.000 0.269 1600 P C -0.561 176.492 177.300 -0.413 0.000 1.215 1600 P CA -0.251 62.601 63.100 -0.413 0.000 0.780 1600 P CB 0.974 32.561 31.700 -0.189 0.000 0.898 1601 R N -0.002 120.290 120.500 -0.347 0.000 2.698 1601 R HA 0.521 4.861 4.340 0.000 0.000 0.275 1601 R C -0.856 175.314 176.300 -0.216 0.000 1.001 1601 R CA -0.591 55.335 56.100 -0.290 0.000 0.896 1601 R CB 2.171 32.288 30.300 -0.305 0.000 1.218 1601 R HN 0.345 nan 8.270 nan 0.000 0.462 1602 T N 1.879 116.285 114.554 -0.247 0.000 2.977 1602 T HA 0.216 4.566 4.350 0.000 0.000 0.346 1602 T C -0.438 174.048 174.700 -0.357 0.000 1.140 1602 T CA -0.466 61.423 62.100 -0.353 0.000 1.040 1602 T CB 0.997 69.472 68.868 -0.655 0.000 1.046 1602 T HN 0.130 nan 8.240 nan 0.000 0.494 1603 V N 5.577 125.343 119.914 -0.246 0.000 2.408 1603 V HA 0.381 4.501 4.120 0.000 0.000 0.267 1603 V C 0.151 176.116 176.094 -0.215 0.000 1.047 1603 V CA -0.418 61.763 62.300 -0.198 0.000 0.937 1603 V CB 0.215 31.963 31.823 -0.125 0.000 0.999 1603 V HN 0.745 nan 8.190 nan 0.000 0.472 1604 I N 6.463 126.904 120.570 -0.215 0.000 2.404 1604 I HA 0.542 4.712 4.170 0.000 0.000 0.293 1604 I C -0.372 175.618 176.117 -0.211 0.000 0.992 1604 I CA -0.247 60.927 61.300 -0.210 0.000 1.149 1604 I CB 1.733 39.638 38.000 -0.158 0.000 1.315 1604 I HN 0.402 nan 8.210 nan 0.000 0.446 1605 I N 4.965 125.380 120.570 -0.257 0.000 2.478 1605 I HA 0.621 4.791 4.170 0.000 0.000 0.287 1605 I C -0.008 175.728 176.117 -0.635 0.000 1.042 1605 I CA -0.318 60.792 61.300 -0.317 0.000 1.067 1605 I CB 2.008 39.906 38.000 -0.172 0.000 1.233 1605 I HN 0.695 nan 8.210 nan 0.000 0.431 1606 G N 3.236 111.653 108.800 -0.640 0.000 2.619 1606 G HA2 0.882 4.842 3.960 0.000 0.000 0.296 1606 G HA3 0.882 4.842 3.960 0.000 0.000 0.296 1606 G C -0.930 173.656 174.900 -0.522 0.000 1.334 1606 G CA -0.939 43.673 45.100 -0.813 0.000 0.934 1606 G HN 0.934 nan 8.290 nan 0.000 0.476 1607 G N -0.443 108.198 108.800 -0.266 0.000 2.352 1607 G HA2 0.409 4.369 3.960 0.000 0.000 0.303 1607 G HA3 0.409 4.369 3.960 0.000 0.000 0.303 1607 G C -1.330 173.692 174.900 0.203 0.000 1.593 1607 G CA -0.992 44.137 45.100 0.048 0.000 0.963 1607 G HN 0.602 nan 8.290 nan 0.000 0.685 1608 K N -0.226 120.303 120.400 0.215 0.000 2.098 1608 K HA 0.777 5.097 4.320 0.000 0.000 0.258 1608 K C 0.245 177.003 176.600 0.263 0.000 0.973 1608 K CA -0.119 56.316 56.287 0.247 0.000 0.898 1608 K CB 1.870 34.398 32.500 0.046 0.000 1.057 1608 K HN 0.899 nan 8.250 nan 0.000 0.447 1609 A N 1.377 124.400 122.820 0.338 0.000 2.330 1609 A HA 0.663 4.983 4.320 0.000 0.000 0.327 1609 A C -0.654 177.119 177.584 0.315 0.000 1.155 1609 A CA -0.775 51.401 52.037 0.232 0.000 0.803 1609 A CB 1.185 20.254 19.000 0.116 0.000 1.208 1609 A HN 0.768 nan 8.150 nan 0.000 0.477 1610 A N 3.801 126.783 122.820 0.271 0.000 2.546 1610 A HA 0.459 4.779 4.320 0.000 0.000 0.243 1610 A C -1.310 176.356 177.584 0.136 0.000 1.063 1610 A CA -0.697 51.486 52.037 0.244 0.000 0.757 1610 A CB -0.381 18.720 19.000 0.168 0.000 0.991 1610 A HN 0.600 nan 8.150 nan 0.000 0.503 1611 P HA -0.178 nan 4.420 nan 0.000 0.218 1611 P C 1.288 178.565 177.300 -0.040 0.000 1.154 1611 P CA 2.154 65.184 63.100 -0.117 0.000 0.872 1611 P CB 0.140 31.708 31.700 -0.220 0.000 0.790 1612 G N -3.220 105.573 108.800 -0.011 0.000 3.233 1612 G HA2 -0.076 3.884 3.960 0.000 0.000 0.227 1612 G HA3 -0.076 3.884 3.960 0.000 0.000 0.227 1612 G C -0.354 174.556 174.900 0.017 0.000 1.175 1612 G CA -0.005 45.090 45.100 -0.009 0.000 0.781 1612 G HN 0.158 nan 8.290 nan 0.000 0.542 1613 Y N 1.866 122.094 120.300 -0.121 0.000 2.650 1613 Y HA 0.254 4.804 4.550 0.000 0.000 0.343 1613 Y C 1.323 177.201 175.900 -0.037 0.000 1.078 1613 Y CA -1.959 56.047 58.100 -0.156 0.000 1.356 1613 Y CB -0.535 37.798 38.460 -0.210 0.000 1.204 1613 Y HN 0.374 nan 8.280 nan 0.000 0.508 1614 H N 3.641 122.834 119.070 0.204 0.000 2.251 1614 H HA -0.225 4.331 4.556 0.000 0.000 0.294 1614 H C 1.704 177.047 175.328 0.024 0.000 1.078 1614 H CA 2.346 58.448 56.048 0.090 0.000 1.246 1614 H CB 0.409 30.218 29.762 0.078 0.000 1.358 1614 H HN 0.612 nan 8.280 nan 0.000 0.488 1615 M N 1.084 120.662 119.600 -0.037 0.000 2.110 1615 M HA -0.186 4.294 4.480 0.000 0.000 0.257 1615 M C 2.658 178.711 176.300 -0.412 0.000 1.071 1615 M CA 2.064 57.240 55.300 -0.206 0.000 1.096 1615 M CB -1.126 31.470 32.600 -0.006 0.000 1.300 1615 M HN 0.405 nan 8.290 nan 0.000 0.411 1616 A N -0.740 121.568 122.820 -0.854 0.000 1.948 1616 A HA -0.251 4.069 4.320 0.000 0.000 0.220 1616 A C 2.211 179.606 177.584 -0.315 0.000 1.177 1616 A CA 2.214 53.818 52.037 -0.721 0.000 0.636 1616 A CB -0.754 17.599 19.000 -1.078 0.000 0.815 1616 A HN 0.629 nan 8.150 nan 0.000 0.449 1617 K N -1.438 118.830 120.400 -0.221 0.000 2.288 1617 K HA 0.021 4.341 4.320 0.000 0.000 0.201 1617 K C 1.885 178.469 176.600 -0.027 0.000 1.048 1617 K CA 0.927 57.185 56.287 -0.049 0.000 0.956 1617 K CB -0.138 32.390 32.500 0.047 0.000 0.746 1617 K HN 0.355 nan 8.250 nan 0.000 0.461 1618 M N 0.510 120.025 119.600 -0.141 0.000 2.123 1618 M HA -0.034 4.446 4.480 0.000 0.000 0.263 1618 M C 2.102 178.363 176.300 -0.064 0.000 1.069 1618 M CA 1.381 56.635 55.300 -0.077 0.000 1.133 1618 M CB -0.524 31.978 32.600 -0.162 0.000 1.356 1618 M HN 0.097 nan 8.290 nan 0.000 0.415 1619 I N -0.147 120.347 120.570 -0.127 0.000 2.423 1619 I HA -0.308 3.862 4.170 0.000 0.000 0.254 1619 I C 2.243 178.260 176.117 -0.168 0.000 1.151 1619 I CA 0.958 62.174 61.300 -0.140 0.000 1.421 1619 I CB -0.260 37.653 38.000 -0.144 0.000 1.079 1619 I HN 0.211 nan 8.210 nan 0.000 0.431 1620 I N 0.185 120.641 120.570 -0.190 0.000 2.193 1620 I HA -0.248 3.922 4.170 0.000 0.000 0.240 1620 I C 2.638 178.480 176.117 -0.458 0.000 1.084 1620 I CA 0.990 62.089 61.300 -0.335 0.000 1.365 1620 I CB -0.415 37.377 38.000 -0.348 0.000 1.064 1620 I HN 0.130 nan 8.210 nan 0.000 0.410 1621 K N 1.254 121.394 120.400 -0.434 0.000 2.074 1621 K HA -0.186 4.134 4.320 0.000 0.000 0.209 1621 K C 2.106 178.525 176.600 -0.302 0.000 1.048 1621 K CA 1.489 57.413 56.287 -0.606 0.000 0.926 1621 K CB -0.646 31.248 32.500 -1.010 0.000 0.713 1621 K HN 0.298 nan 8.250 nan 0.000 0.444 1622 L N 0.421 121.513 121.223 -0.218 0.000 1.989 1622 L HA -0.218 4.122 4.340 0.000 0.000 0.211 1622 L C 2.388 178.974 176.870 -0.474 0.000 1.071 1622 L CA 1.416 55.917 54.840 -0.566 0.000 0.749 1622 L CB -0.304 41.361 42.059 -0.657 0.000 0.890 1622 L HN 0.138 nan 8.230 nan 0.000 0.431 1623 I N -0.165 120.198 120.570 -0.346 0.000 2.163 1623 I HA -0.360 3.810 4.170 0.000 0.000 0.243 1623 I C 2.591 178.555 176.117 -0.254 0.000 1.085 1623 I CA 2.085 63.233 61.300 -0.253 0.000 1.347 1623 I CB -0.492 37.476 38.000 -0.054 0.000 1.044 1623 I HN 0.447 nan 8.210 nan 0.000 0.408 1624 T N -2.696 111.673 114.554 -0.308 0.000 2.833 1624 T HA -0.124 4.226 4.350 0.000 0.000 0.269 1624 T C 1.983 176.546 174.700 -0.228 0.000 1.054 1624 T CA 1.529 63.474 62.100 -0.260 0.000 1.135 1624 T CB -0.459 68.205 68.868 -0.339 0.000 0.869 1624 T HN 0.197 nan 8.240 nan 0.000 0.466 1625 S N 0.904 116.450 115.700 -0.256 0.000 2.355 1625 S HA -0.004 4.466 4.470 0.000 0.000 0.222 1625 S C 2.257 176.706 174.600 -0.252 0.000 1.031 1625 S CA 0.962 59.053 58.200 -0.180 0.000 0.993 1625 S CB -0.550 62.612 63.200 -0.063 0.000 0.859 1625 S HN 0.367 nan 8.310 nan 0.000 0.453 1626 V N 2.110 121.719 119.914 -0.507 0.000 2.407 1626 V HA -0.207 3.913 4.120 0.000 0.000 0.248 1626 V C 2.587 178.452 176.094 -0.383 0.000 1.055 1626 V CA 1.667 63.523 62.300 -0.739 0.000 1.049 1626 V CB -1.158 30.152 31.823 -0.855 0.000 0.662 1626 V HN 0.523 nan 8.190 nan 0.000 0.455 1627 A N -0.109 122.547 122.820 -0.273 0.000 1.883 1627 A HA -0.278 4.042 4.320 0.000 0.000 0.217 1627 A C 2.004 179.505 177.584 -0.138 0.000 1.186 1627 A CA 2.146 54.077 52.037 -0.178 0.000 0.624 1627 A CB -0.729 18.194 19.000 -0.129 0.000 0.822 1627 A HN 0.518 nan 8.150 nan 0.000 0.444 1628 D N -0.548 119.777 120.400 -0.125 0.000 2.149 1628 D HA -0.107 4.533 4.640 0.000 0.000 0.198 1628 D C 2.007 178.256 176.300 -0.085 0.000 0.990 1628 D CA 1.334 55.283 54.000 -0.085 0.000 0.839 1628 D CB -0.291 40.465 40.800 -0.073 0.000 0.948 1628 D HN 0.211 nan 8.370 nan 0.000 0.460 1629 V N -0.027 119.817 119.914 -0.118 0.000 2.255 1629 V HA -0.181 3.939 4.120 0.000 0.000 0.243 1629 V C 2.589 178.598 176.094 -0.142 0.000 1.038 1629 V CA 0.916 63.124 62.300 -0.154 0.000 1.008 1629 V CB -0.433 31.251 31.823 -0.231 0.000 0.645 1629 V HN 0.038 nan 8.190 nan 0.000 0.449 1630 V N 0.780 120.549 119.914 -0.241 0.000 2.231 1630 V HA -0.330 3.790 4.120 0.000 0.000 0.248 1630 V C 2.300 178.410 176.094 0.026 0.000 1.054 1630 V CA 2.603 64.844 62.300 -0.098 0.000 1.015 1630 V CB -1.015 30.740 31.823 -0.113 0.000 0.638 1630 V HN 0.575 nan 8.190 nan 0.000 0.444 1631 N N 0.643 119.327 118.700 -0.028 0.000 2.272 1631 N HA -0.124 4.616 4.740 0.000 0.000 0.185 1631 N C 1.291 176.806 175.510 0.009 0.000 1.014 1631 N CA 1.206 54.248 53.050 -0.013 0.000 0.870 1631 N CB -0.352 38.112 38.487 -0.038 0.000 0.975 1631 N HN 0.537 nan 8.380 nan 0.000 0.433 1632 N N -0.055 118.652 118.700 0.012 0.000 2.205 1632 N HA -0.026 4.715 4.740 0.000 0.000 0.201 1632 N C -0.645 174.895 175.510 0.050 0.000 1.128 1632 N CA 0.002 53.065 53.050 0.022 0.000 0.867 1632 N CB 0.477 38.967 38.487 0.005 0.000 0.996 1632 N HN 0.146 nan 8.380 nan 0.000 0.503 1633 D N 2.499 122.954 120.400 0.092 0.000 2.336 1633 D HA 0.096 4.736 4.640 0.000 0.000 0.249 1633 D C -1.332 175.024 176.300 0.093 0.000 1.213 1633 D CA -1.780 52.300 54.000 0.132 0.000 0.870 1633 D CB 1.756 42.722 40.800 0.277 0.000 1.076 1633 D HN 0.062 nan 8.370 nan 0.000 0.483 1634 P HA -0.170 nan 4.420 nan 0.000 0.222 1634 P C 1.520 178.844 177.300 0.040 0.000 1.147 1634 P CA 0.680 63.806 63.100 0.044 0.000 0.790 1634 P CB 0.266 31.986 31.700 0.033 0.000 0.780 1635 M N 0.901 120.527 119.600 0.044 0.000 2.077 1635 M HA -0.111 4.369 4.480 0.000 0.000 0.261 1635 M C 2.055 178.371 176.300 0.027 0.000 1.070 1635 M CA 1.787 57.099 55.300 0.021 0.000 1.125 1635 M CB -0.883 31.716 32.600 -0.003 0.000 1.339 1635 M HN -0.130 nan 8.290 nan 0.000 0.409 1636 V N -0.979 118.969 119.914 0.058 0.000 2.379 1636 V HA 0.192 4.312 4.120 0.000 0.000 0.245 1636 V C 1.696 177.832 176.094 0.072 0.000 1.044 1636 V CA 1.312 63.659 62.300 0.080 0.000 1.036 1636 V CB -1.912 30.005 31.823 0.157 0.000 0.664 1636 V HN 0.783 nan 8.190 nan 0.000 0.453 1637 G N 1.157 109.995 108.800 0.063 0.000 2.651 1637 G HA2 -0.451 3.509 3.960 0.000 0.000 0.315 1637 G HA3 -0.451 3.509 3.960 0.000 0.000 0.315 1637 G C 1.091 176.012 174.900 0.035 0.000 1.258 1637 G CA 2.110 47.235 45.100 0.043 0.000 1.002 1637 G HN 1.884 nan 8.290 nan 0.000 0.551 1638 S N 0.399 116.114 115.700 0.024 0.000 2.701 1638 S HA 0.212 4.683 4.470 0.000 0.000 0.220 1638 S C 1.655 176.255 174.600 0.001 0.000 0.954 1638 S CA 1.214 59.420 58.200 0.010 0.000 0.936 1638 S CB 0.127 63.332 63.200 0.009 0.000 0.777 1638 S HN 0.717 nan 8.310 nan 0.000 0.518 1639 K N 0.057 120.473 120.400 0.026 0.000 2.167 1639 K HA 0.292 4.612 4.320 0.000 0.000 0.203 1639 K C 0.095 176.673 176.600 -0.036 0.000 1.052 1639 K CA 0.537 56.839 56.287 0.026 0.000 0.956 1639 K CB -0.032 32.559 32.500 0.152 0.000 0.735 1639 K HN 0.453 nan 8.250 nan 0.000 0.451 1640 L N 0.308 121.534 121.223 0.005 0.000 2.565 1640 L HA 0.332 4.672 4.340 0.000 0.000 0.261 1640 L C -2.127 174.731 176.870 -0.021 0.000 0.932 1640 L CA -0.567 54.259 54.840 -0.023 0.000 0.878 1640 L CB 1.746 43.838 42.059 0.056 0.000 1.333 1640 L HN -0.263 nan 8.230 nan 0.000 0.409 1641 K N 4.151 124.505 120.400 -0.076 0.000 2.427 1641 K HA 0.730 5.050 4.320 0.000 0.000 0.252 1641 K C -1.620 174.901 176.600 -0.131 0.000 0.931 1641 K CA -0.723 55.509 56.287 -0.092 0.000 0.793 1641 K CB 2.740 35.174 32.500 -0.110 0.000 1.211 1641 K HN 0.419 nan 8.250 nan 0.000 0.426 1642 V N 4.244 124.083 119.914 -0.125 0.000 2.448 1642 V HA 0.501 4.621 4.120 0.000 0.000 0.295 1642 V C -0.259 175.739 176.094 -0.160 0.000 1.025 1642 V CA -0.856 61.359 62.300 -0.143 0.000 0.859 1642 V CB 1.632 33.378 31.823 -0.129 0.000 0.988 1642 V HN 0.563 nan 8.190 nan 0.000 0.431 1643 I N 4.368 124.819 120.570 -0.199 0.000 2.545 1643 I HA 0.420 4.590 4.170 0.000 0.000 0.292 1643 I C -0.915 175.092 176.117 -0.183 0.000 1.040 1643 I CA -0.475 60.667 61.300 -0.264 0.000 1.068 1643 I CB 2.093 39.826 38.000 -0.445 0.000 1.251 1643 I HN 0.585 nan 8.210 nan 0.000 0.424 1644 F N 6.409 126.211 119.950 -0.246 0.000 2.334 1644 F HA 0.377 4.904 4.527 0.000 0.000 0.367 1644 F C -0.014 175.739 175.800 -0.079 0.000 1.115 1644 F CA -0.503 57.419 58.000 -0.130 0.000 1.116 1644 F CB 0.700 39.661 39.000 -0.066 0.000 1.230 1644 F HN 0.306 nan 8.300 nan 0.000 0.484 1645 L N 6.275 127.251 121.223 -0.412 0.000 2.565 1645 L HA 0.071 4.411 4.340 0.000 0.000 0.275 1645 L C 0.467 177.344 176.870 0.012 0.000 1.137 1645 L CA 0.298 55.078 54.840 -0.100 0.000 0.915 1645 L CB 0.092 42.109 42.059 -0.070 0.000 1.232 1645 L HN 0.687 nan 8.230 nan 0.000 0.473 1646 E N 3.645 124.070 120.200 0.375 0.000 2.390 1646 E HA -0.075 4.275 4.350 0.000 0.000 0.261 1646 E C 0.627 177.418 176.600 0.319 0.000 1.076 1646 E CA -0.216 56.423 56.400 0.398 0.000 0.905 1646 E CB 0.446 30.383 29.700 0.395 0.000 0.984 1646 E HN 0.524 nan 8.360 nan 0.000 0.427 1647 N N 1.979 120.852 118.700 0.288 0.000 2.699 1647 N HA -0.279 4.461 4.740 0.000 0.000 0.256 1647 N C -1.525 174.109 175.510 0.207 0.000 0.993 1647 N CA 0.531 53.712 53.050 0.218 0.000 0.759 1647 N CB -1.261 37.340 38.487 0.189 0.000 0.906 1647 N HN 0.394 nan 8.380 nan 0.000 0.541 1648 Y N 1.522 121.865 120.300 0.072 0.000 2.632 1648 Y HA 0.181 4.731 4.550 0.000 0.000 0.329 1648 Y C 1.116 177.041 175.900 0.042 0.000 1.174 1648 Y CA 0.252 58.374 58.100 0.038 0.000 1.469 1648 Y CB 0.284 38.736 38.460 -0.014 0.000 1.242 1648 Y HN 0.365 nan 8.280 nan 0.000 0.540 1649 R N 2.507 122.718 120.500 -0.481 0.000 2.766 1649 R HA 0.487 4.827 4.340 0.000 0.000 0.270 1649 R C -0.256 175.733 176.300 -0.519 0.000 1.035 1649 R CA -0.699 55.165 56.100 -0.394 0.000 0.911 1649 R CB 0.422 30.670 30.300 -0.086 0.000 1.243 1649 R HN 0.331 nan 8.270 nan 0.000 0.460 1650 V N 0.971 120.591 119.914 -0.489 0.000 2.282 1650 V HA -0.303 3.817 4.120 0.000 0.000 0.249 1650 V C 2.578 178.542 176.094 -0.217 0.000 1.057 1650 V CA 2.841 64.912 62.300 -0.381 0.000 1.032 1650 V CB -0.769 30.779 31.823 -0.457 0.000 0.645 1650 V HN 0.950 nan 8.190 nan 0.000 0.447 1651 S N -0.662 114.929 115.700 -0.183 0.000 2.423 1651 S HA -0.110 4.360 4.470 0.000 0.000 0.231 1651 S C 1.994 176.529 174.600 -0.108 0.000 1.014 1651 S CA 1.454 59.569 58.200 -0.142 0.000 0.965 1651 S CB -0.395 62.748 63.200 -0.096 0.000 0.785 1651 S HN 0.536 nan 8.310 nan 0.000 0.495 1652 L N 0.512 121.682 121.223 -0.089 0.000 2.209 1652 L HA 0.189 4.529 4.340 0.000 0.000 0.207 1652 L C 2.844 179.709 176.870 -0.009 0.000 1.094 1652 L CA 0.979 55.801 54.840 -0.030 0.000 0.790 1652 L CB -0.706 41.405 42.059 0.087 0.000 0.932 1652 L HN 0.495 nan 8.230 nan 0.000 0.447 1653 A N -0.156 122.652 122.820 -0.021 0.000 1.933 1653 A HA -0.230 4.090 4.320 0.000 0.000 0.218 1653 A C 1.944 179.568 177.584 0.065 0.000 1.175 1653 A CA 1.531 53.629 52.037 0.102 0.000 0.628 1653 A CB -0.385 18.630 19.000 0.025 0.000 0.814 1653 A HN 0.514 nan 8.150 nan 0.000 0.444 1654 E N -0.471 119.755 120.200 0.044 0.000 2.268 1654 E HA -0.134 4.216 4.350 0.000 0.000 0.195 1654 E C 1.866 178.400 176.600 -0.110 0.000 0.995 1654 E CA 1.033 57.419 56.400 -0.023 0.000 0.836 1654 E CB -0.009 29.579 29.700 -0.186 0.000 0.763 1654 E HN 0.599 nan 8.360 nan 0.000 0.491 1655 K N -0.028 120.273 120.400 -0.165 0.000 2.121 1655 K HA 0.018 4.338 4.320 0.000 0.000 0.203 1655 K C 2.130 178.386 176.600 -0.573 0.000 1.041 1655 K CA 0.471 56.601 56.287 -0.262 0.000 0.969 1655 K CB -0.004 32.355 32.500 -0.235 0.000 0.799 1655 K HN -0.038 nan 8.250 nan 0.000 0.456 1656 V N 1.969 121.475 119.914 -0.679 0.000 2.591 1656 V HA -0.137 3.983 4.120 0.000 0.000 0.249 1656 V C 1.876 177.718 176.094 -0.420 0.000 1.053 1656 V CA 1.224 62.947 62.300 -0.961 0.000 1.068 1656 V CB -0.195 31.309 31.823 -0.531 0.000 0.689 1656 V HN 0.254 nan 8.190 nan 0.000 0.462 1657 I N 0.919 121.308 120.570 -0.303 0.000 2.179 1657 I HA -0.129 4.041 4.170 0.000 0.000 0.242 1657 I C -0.214 175.807 176.117 -0.160 0.000 1.088 1657 I CA 1.631 62.715 61.300 -0.361 0.000 1.357 1657 I CB -1.772 35.882 38.000 -0.577 0.000 1.051 1657 I HN 0.374 nan 8.210 nan 0.000 0.409 1658 P HA -0.100 nan 4.420 nan 0.000 0.225 1658 P C 0.747 178.020 177.300 -0.045 0.000 1.148 1658 P CA 1.127 64.184 63.100 -0.072 0.000 0.779 1658 P CB 0.023 31.678 31.700 -0.074 0.000 0.780 1659 A N -1.701 121.072 122.820 -0.078 0.000 2.423 1659 A HA 0.213 4.533 4.320 0.000 0.000 0.246 1659 A C 0.688 178.326 177.584 0.090 0.000 1.278 1659 A CA 0.279 52.295 52.037 -0.035 0.000 0.903 1659 A CB -0.663 18.321 19.000 -0.026 0.000 0.997 1659 A HN 0.044 nan 8.150 nan 0.000 0.510 1660 T N 0.263 114.919 114.554 0.171 0.000 2.837 1660 T HA 0.277 4.627 4.350 0.000 0.000 0.285 1660 T C 0.158 175.011 174.700 0.255 0.000 0.984 1660 T CA -0.333 61.936 62.100 0.282 0.000 1.049 1660 T CB 1.380 70.510 68.868 0.437 0.000 0.947 1660 T HN 0.253 nan 8.240 nan 0.000 0.472 1661 D N 1.032 121.595 120.400 0.272 0.000 2.338 1661 D HA 0.111 4.751 4.640 0.000 0.000 0.224 1661 D C 0.151 176.701 176.300 0.417 0.000 0.967 1661 D CA 0.388 54.626 54.000 0.397 0.000 0.896 1661 D CB 0.492 41.491 40.800 0.333 0.000 1.028 1661 D HN 0.184 nan 8.370 nan 0.000 0.493 1662 L N 0.715 122.051 121.223 0.189 0.000 2.349 1662 L HA 0.331 4.671 4.340 0.000 0.000 0.278 1662 L C -0.756 175.990 176.870 -0.207 0.000 0.996 1662 L CA -0.523 54.347 54.840 0.050 0.000 0.825 1662 L CB 2.058 44.132 42.059 0.025 0.000 1.243 1662 L HN -0.268 nan 8.230 nan 0.000 0.412 1663 S N 4.381 119.883 115.700 -0.329 0.000 2.429 1663 S HA 0.468 4.938 4.470 0.000 0.000 0.302 1663 S C -0.577 173.781 174.600 -0.402 0.000 1.115 1663 S CA -0.643 57.123 58.200 -0.725 0.000 1.095 1663 S CB 0.460 63.162 63.200 -0.830 0.000 0.987 1663 S HN 0.643 nan 8.310 nan 0.000 0.474 1664 E N 4.098 124.065 120.200 -0.387 0.000 2.089 1664 E HA 0.210 4.560 4.350 0.000 0.000 0.284 1664 E C -0.511 175.996 176.600 -0.155 0.000 1.023 1664 E CA -0.418 55.869 56.400 -0.189 0.000 0.819 1664 E CB 0.959 30.564 29.700 -0.158 0.000 1.076 1664 E HN 0.618 nan 8.360 nan 0.000 0.396 1665 Q N 2.757 122.517 119.800 -0.067 0.000 3.075 1665 Q HA 0.250 4.590 4.340 0.000 0.000 0.318 1665 Q C 0.604 176.593 176.000 -0.018 0.000 0.907 1665 Q CA -0.119 55.647 55.803 -0.061 0.000 0.882 1665 Q CB 0.153 28.855 28.738 -0.061 0.000 1.386 1665 Q HN 0.621 nan 8.270 nan 0.000 0.408 1666 I N -1.569 118.984 120.570 -0.028 0.000 3.731 1666 I HA 0.264 4.434 4.170 0.000 0.000 0.341 1666 I C 0.436 176.499 176.117 -0.090 0.000 1.532 1666 I CA -0.615 60.684 61.300 -0.001 0.000 1.163 1666 I CB 0.191 38.193 38.000 0.003 0.000 1.339 1666 I HN -0.002 nan 8.210 nan 0.000 0.449 1667 S N 0.528 116.169 115.700 -0.099 0.000 2.572 1667 S HA 0.214 4.684 4.470 0.000 0.000 0.279 1667 S C 0.577 175.150 174.600 -0.045 0.000 1.341 1667 S CA -0.365 57.789 58.200 -0.076 0.000 1.043 1667 S CB 0.454 63.656 63.200 0.002 0.000 0.887 1667 S HN 0.422 nan 8.310 nan 0.000 0.516 1668 T N 2.590 117.152 114.554 0.013 0.000 2.934 1668 T HA 0.368 4.718 4.350 0.000 0.000 0.306 1668 T C 0.712 175.419 174.700 0.013 0.000 1.042 1668 T CA 0.180 62.298 62.100 0.031 0.000 1.145 1668 T CB 0.009 68.976 68.868 0.166 0.000 0.982 1668 T HN 1.052 nan 8.240 nan 0.000 0.544 1669 A N 2.344 125.141 122.820 -0.037 0.000 2.561 1669 A HA 0.461 4.781 4.320 0.000 0.000 0.251 1669 A C 1.635 179.217 177.584 -0.005 0.000 1.062 1669 A CA 0.237 52.250 52.037 -0.040 0.000 0.761 1669 A CB -1.098 17.865 19.000 -0.060 0.000 0.986 1669 A HN 1.763 nan 8.150 nan 0.000 0.510 1670 G N 1.635 110.436 108.800 0.001 0.000 2.176 1670 G HA2 -0.241 3.719 3.960 0.000 0.000 0.232 1670 G HA3 -0.241 3.719 3.960 0.000 0.000 0.232 1670 G C 0.881 175.784 174.900 0.006 0.000 0.986 1670 G CA 1.035 46.141 45.100 0.011 0.000 0.643 1670 G HN 1.908 nan 8.290 nan 0.000 0.522 1671 T N -2.482 112.072 114.554 -0.000 0.000 3.023 1671 T HA 0.418 4.768 4.350 0.000 0.000 0.249 1671 T C 0.715 175.279 174.700 -0.228 0.000 1.050 1671 T CA 1.116 63.146 62.100 -0.117 0.000 1.088 1671 T CB 0.646 69.500 68.868 -0.024 0.000 0.946 1671 T HN 0.253 nan 8.240 nan 0.000 0.480 1672 E N 1.283 121.478 120.200 -0.010 0.000 2.035 1672 E HA 0.699 5.049 4.350 0.000 0.000 0.271 1672 E C 1.143 177.707 176.600 -0.061 0.000 0.953 1672 E CA -0.093 56.329 56.400 0.037 0.000 0.777 1672 E CB 0.721 30.482 29.700 0.102 0.000 1.104 1672 E HN 0.287 nan 8.360 nan 0.000 0.408 1673 A N 3.282 125.990 122.820 -0.186 0.000 1.940 1673 A HA -0.267 4.053 4.320 0.000 0.000 0.221 1673 A C 1.926 179.376 177.584 -0.222 0.000 1.190 1673 A CA 2.525 54.294 52.037 -0.446 0.000 0.647 1673 A CB -0.222 18.255 19.000 -0.872 0.000 0.821 1673 A HN 0.618 nan 8.150 nan 0.000 0.457 1674 S N -4.508 111.120 115.700 -0.119 0.000 4.257 1674 S HA 0.440 4.910 4.470 0.000 0.000 0.208 1674 S C 0.670 175.247 174.600 -0.039 0.000 1.152 1674 S CA 1.343 59.516 58.200 -0.045 0.000 1.110 1674 S CB -0.259 62.931 63.200 -0.017 0.000 1.434 1674 S HN 2.387 nan 8.310 nan 0.000 0.509 1675 G N 0.226 109.005 108.800 -0.035 0.000 2.692 1675 G HA2 0.040 4.000 3.960 0.000 0.000 0.686 1675 G HA3 0.040 4.000 3.960 0.000 0.000 0.686 1675 G C 0.238 175.094 174.900 -0.073 0.000 1.243 1675 G CA 0.395 45.470 45.100 -0.043 0.000 0.782 1675 G HN 1.466 nan 8.290 nan 0.000 0.625 1676 T N -2.543 111.950 114.554 -0.102 0.000 3.051 1676 T HA 0.369 4.719 4.350 0.000 0.000 0.254 1676 T C 2.340 176.895 174.700 -0.241 0.000 0.916 1676 T CA 1.278 63.280 62.100 -0.162 0.000 0.894 1676 T CB 0.230 68.996 68.868 -0.170 0.000 1.251 1676 T HN 1.925 nan 8.240 nan 0.000 0.517 1677 G N 3.296 111.980 108.800 -0.193 0.000 2.432 1677 G HA2 -0.239 3.721 3.960 0.000 0.000 0.219 1677 G HA3 -0.239 3.721 3.960 0.000 0.000 0.219 1677 G C 1.572 176.442 174.900 -0.049 0.000 1.135 1677 G CA 1.269 46.247 45.100 -0.204 0.000 0.767 1677 G HN 0.679 nan 8.290 nan 0.000 0.550 1678 N N 1.243 119.932 118.700 -0.019 0.000 2.061 1678 N HA -0.179 4.561 4.740 0.000 0.000 0.193 1678 N C 2.036 177.494 175.510 -0.086 0.000 1.030 1678 N CA 1.882 54.930 53.050 -0.004 0.000 0.856 1678 N CB -0.776 37.650 38.487 -0.102 0.000 1.023 1678 N HN 0.400 nan 8.380 nan 0.000 0.424 1679 M N 0.311 119.784 119.600 -0.210 0.000 2.175 1679 M HA -0.003 4.477 4.480 0.000 0.000 0.264 1679 M C 1.963 178.161 176.300 -0.170 0.000 1.063 1679 M CA 1.432 56.584 55.300 -0.247 0.000 1.119 1679 M CB -0.191 32.273 32.600 -0.227 0.000 1.377 1679 M HN 0.156 nan 8.290 nan 0.000 0.415 1680 K N -0.099 120.133 120.400 -0.280 0.000 2.057 1680 K HA -0.096 4.224 4.320 0.000 0.000 0.207 1680 K C 1.733 178.176 176.600 -0.261 0.000 1.049 1680 K CA 1.284 57.350 56.287 -0.369 0.000 0.931 1680 K CB -0.295 31.755 32.500 -0.750 0.000 0.714 1680 K HN 0.158 nan 8.250 nan 0.000 0.440 1681 F N 1.451 121.313 119.950 -0.147 0.000 2.113 1681 F HA -0.114 4.413 4.527 0.000 0.000 0.297 1681 F C 2.638 178.400 175.800 -0.064 0.000 1.103 1681 F CA 1.272 59.218 58.000 -0.090 0.000 1.248 1681 F CB -0.441 38.506 39.000 -0.089 0.000 0.999 1681 F HN -0.033 nan 8.300 nan 0.000 0.475 1682 M N -0.382 119.282 119.600 0.106 0.000 2.149 1682 M HA -0.230 4.250 4.480 0.000 0.000 0.261 1682 M C 2.070 178.394 176.300 0.040 0.000 1.064 1682 M CA 1.684 57.010 55.300 0.044 0.000 1.102 1682 M CB -0.313 32.277 32.600 -0.017 0.000 1.369 1682 M HN 0.284 nan 8.290 nan 0.000 0.408 1683 L N 0.123 121.364 121.223 0.029 0.000 2.240 1683 L HA -0.107 4.233 4.340 0.000 0.000 0.211 1683 L C 1.080 177.964 176.870 0.023 0.000 1.106 1683 L CA 1.086 55.947 54.840 0.035 0.000 0.793 1683 L CB -0.441 41.648 42.059 0.049 0.000 0.927 1683 L HN 0.452 nan 8.230 nan 0.000 0.446 1684 N N 0.204 118.916 118.700 0.020 0.000 2.314 1684 N HA 0.051 4.791 4.740 0.000 0.000 0.200 1684 N C 0.762 176.297 175.510 0.040 0.000 1.135 1684 N CA 0.806 53.867 53.050 0.018 0.000 0.835 1684 N CB 0.634 39.115 38.487 -0.011 0.000 0.989 1684 N HN 0.406 nan 8.380 nan 0.000 0.478 1685 G N 0.645 109.474 108.800 0.048 0.000 2.204 1685 G HA2 -0.173 3.787 3.960 0.000 0.000 0.244 1685 G HA3 -0.173 3.787 3.960 0.000 0.000 0.244 1685 G C -0.134 174.833 174.900 0.112 0.000 1.062 1685 G CA 0.124 45.259 45.100 0.057 0.000 0.798 1685 G HN 0.509 nan 8.290 nan 0.000 0.496 1686 A N -0.368 122.529 122.820 0.128 0.000 2.356 1686 A HA 0.905 5.225 4.320 0.000 0.000 0.323 1686 A C 0.235 177.846 177.584 0.046 0.000 1.119 1686 A CA -0.725 51.408 52.037 0.160 0.000 0.790 1686 A CB 1.299 20.445 19.000 0.242 0.000 1.273 1686 A HN 0.698 nan 8.150 nan 0.000 0.452 1687 L N 0.744 121.961 121.223 -0.010 0.000 2.399 1687 L HA 0.496 4.836 4.340 0.000 0.000 0.265 1687 L C 0.094 176.965 176.870 0.003 0.000 1.089 1687 L CA -0.410 54.372 54.840 -0.097 0.000 0.802 1687 L CB 1.729 43.599 42.059 -0.315 0.000 1.180 1687 L HN 0.718 nan 8.230 nan 0.000 0.454 1688 T N 2.490 117.071 114.554 0.045 0.000 2.797 1688 T HA 0.479 4.829 4.350 0.000 0.000 0.279 1688 T C -0.509 174.291 174.700 0.165 0.000 0.991 1688 T CA -0.253 61.873 62.100 0.044 0.000 0.979 1688 T CB 1.707 70.575 68.868 -0.001 0.000 0.943 1688 T HN 0.362 nan 8.240 nan 0.000 0.444 1689 I N 2.863 123.501 120.570 0.113 0.000 2.355 1689 I HA 0.733 4.903 4.170 0.000 0.000 0.288 1689 I C 0.072 176.356 176.117 0.279 0.000 0.999 1689 I CA 0.278 61.701 61.300 0.205 0.000 1.163 1689 I CB 0.197 38.209 38.000 0.019 0.000 1.316 1689 I HN 0.784 nan 8.210 nan 0.000 0.454 1690 G N 3.837 112.877 108.800 0.399 0.000 2.550 1690 G HA2 0.467 4.427 3.960 0.000 0.000 0.293 1690 G HA3 0.467 4.427 3.960 0.000 0.000 0.293 1690 G C -0.924 173.885 174.900 -0.152 0.000 1.402 1690 G CA -0.191 45.058 45.100 0.248 0.000 0.784 1690 G HN 0.589 nan 8.290 nan 0.000 0.482 1691 T N -2.321 112.006 114.554 -0.378 0.000 2.881 1691 T HA 0.527 4.877 4.350 0.000 0.000 0.278 1691 T C 0.524 175.088 174.700 -0.226 0.000 0.982 1691 T CA -0.532 61.270 62.100 -0.497 0.000 0.989 1691 T CB 1.393 69.982 68.868 -0.465 0.000 1.058 1691 T HN 0.312 nan 8.240 nan 0.000 0.529 1692 M N 2.698 122.187 119.600 -0.186 0.000 3.596 1692 M HA 0.379 4.859 4.480 0.000 0.000 0.219 1692 M C -0.763 175.491 176.300 -0.076 0.000 1.471 1692 M CA -0.593 54.647 55.300 -0.099 0.000 1.644 1692 M CB -1.942 30.613 32.600 -0.076 0.000 1.083 1692 M HN 0.701 nan 8.290 nan 0.000 0.579 1693 D N 0.177 120.534 120.400 -0.072 0.000 2.601 1693 D HA 0.736 5.376 4.640 0.000 0.000 0.230 1693 D C 0.671 176.956 176.300 -0.026 0.000 1.106 1693 D CA 0.766 54.741 54.000 -0.043 0.000 0.873 1693 D CB 1.446 42.217 40.800 -0.049 0.000 1.515 1693 D HN 0.510 nan 8.370 nan 0.000 0.468 1694 G N 1.331 110.129 108.800 -0.003 0.000 2.627 1694 G HA2 -0.246 3.714 3.960 0.000 0.000 0.312 1694 G HA3 -0.246 3.714 3.960 0.000 0.000 0.312 1694 G C 1.013 175.917 174.900 0.007 0.000 1.299 1694 G CA 1.103 46.204 45.100 0.001 0.000 0.989 1694 G HN 1.058 nan 8.290 nan 0.000 0.547 1695 A N -0.363 122.450 122.820 -0.012 0.000 2.209 1695 A HA 0.096 4.416 4.320 0.000 0.000 0.212 1695 A C 2.114 179.659 177.584 -0.064 0.000 1.158 1695 A CA 1.842 53.874 52.037 -0.007 0.000 0.742 1695 A CB -0.458 18.511 19.000 -0.052 0.000 0.790 1695 A HN 0.619 nan 8.150 nan 0.000 0.472 1696 N N 0.514 119.170 118.700 -0.074 0.000 2.094 1696 N HA -0.159 4.581 4.740 0.000 0.000 0.191 1696 N C 1.586 177.076 175.510 -0.032 0.000 1.023 1696 N CA 1.668 54.672 53.050 -0.077 0.000 0.857 1696 N CB -0.593 37.855 38.487 -0.067 0.000 1.013 1696 N HN 0.280 nan 8.380 nan 0.000 0.426 1697 V N 1.098 121.008 119.914 -0.007 0.000 2.392 1697 V HA -0.201 3.919 4.120 0.000 0.000 0.249 1697 V C 1.945 178.074 176.094 0.059 0.000 1.059 1697 V CA 1.633 63.943 62.300 0.017 0.000 1.051 1697 V CB -0.453 31.381 31.823 0.018 0.000 0.658 1697 V HN 0.366 nan 8.190 nan 0.000 0.455 1698 E N -0.711 119.556 120.200 0.111 0.000 2.158 1698 E HA -0.078 4.272 4.350 0.000 0.000 0.191 1698 E C 2.214 179.026 176.600 0.354 0.000 0.982 1698 E CA 0.799 57.332 56.400 0.223 0.000 0.823 1698 E CB -0.141 29.751 29.700 0.319 0.000 0.766 1698 E HN 0.532 nan 8.360 nan 0.000 0.468 1699 M N 0.412 120.151 119.600 0.232 0.000 2.159 1699 M HA -0.142 4.338 4.480 0.000 0.000 0.263 1699 M C 2.385 178.765 176.300 0.133 0.000 1.063 1699 M CA 1.377 56.779 55.300 0.170 0.000 1.110 1699 M CB -0.082 32.420 32.600 -0.163 0.000 1.374 1699 M HN 0.134 nan 8.290 nan 0.000 0.411 1700 A N 0.258 123.119 122.820 0.068 0.000 1.898 1700 A HA -0.164 4.156 4.320 0.000 0.000 0.216 1700 A C 1.918 179.530 177.584 0.047 0.000 1.181 1700 A CA 1.591 53.649 52.037 0.034 0.000 0.620 1700 A CB -0.623 18.382 19.000 0.009 0.000 0.819 1700 A HN 0.525 nan 8.150 nan 0.000 0.442 1701 E N -0.263 119.978 120.200 0.068 0.000 2.077 1701 E HA -0.189 4.161 4.350 0.000 0.000 0.193 1701 E C 1.957 178.588 176.600 0.053 0.000 0.989 1701 E CA 1.218 57.648 56.400 0.051 0.000 0.800 1701 E CB -0.128 29.603 29.700 0.053 0.000 0.746 1701 E HN 0.572 nan 8.360 nan 0.000 0.452 1702 E N 0.676 120.932 120.200 0.094 0.000 2.016 1702 E HA -0.108 4.242 4.350 0.000 0.000 0.190 1702 E C 2.077 178.728 176.600 0.085 0.000 0.985 1702 E CA 1.146 57.596 56.400 0.084 0.000 0.802 1702 E CB -0.365 29.413 29.700 0.130 0.000 0.762 1702 E HN 0.220 nan 8.360 nan 0.000 0.448 1703 A N 0.509 123.389 122.820 0.099 0.000 2.016 1703 A HA 0.262 4.582 4.320 0.000 0.000 0.217 1703 A C 1.087 178.686 177.584 0.024 0.000 1.162 1703 A CA 1.286 53.367 52.037 0.072 0.000 0.662 1703 A CB -0.203 18.832 19.000 0.058 0.000 0.812 1703 A HN 0.314 nan 8.150 nan 0.000 0.450 1704 G N -0.856 107.951 108.800 0.011 0.000 3.355 1704 G HA2 -0.083 3.877 3.960 0.000 0.000 0.686 1704 G HA3 -0.083 3.877 3.960 0.000 0.000 0.686 1704 G C 0.045 174.922 174.900 -0.037 0.000 1.097 1704 G CA 0.215 45.305 45.100 -0.017 0.000 0.881 1704 G HN 0.290 nan 8.290 nan 0.000 0.550 1705 E N 0.599 120.778 120.200 -0.035 0.000 2.147 1705 E HA -0.260 4.090 4.350 0.000 0.000 0.199 1705 E C 2.418 178.963 176.600 -0.092 0.000 1.005 1705 E CA 1.865 58.236 56.400 -0.049 0.000 0.810 1705 E CB 0.081 29.761 29.700 -0.033 0.000 0.736 1705 E HN 0.730 nan 8.360 nan 0.000 0.460 1706 E N 0.198 120.341 120.200 -0.095 0.000 2.265 1706 E HA -0.199 4.151 4.350 0.000 0.000 0.196 1706 E C 0.792 177.261 176.600 -0.218 0.000 0.996 1706 E CA 0.871 57.189 56.400 -0.137 0.000 0.832 1706 E CB -0.250 29.391 29.700 -0.098 0.000 0.756 1706 E HN 0.287 nan 8.360 nan 0.000 0.491 1707 N N 0.407 118.997 118.700 -0.185 0.000 2.268 1707 N HA 0.174 4.914 4.740 0.000 0.000 0.204 1707 N C -0.403 174.946 175.510 -0.269 0.000 1.124 1707 N CA 0.128 53.044 53.050 -0.222 0.000 0.838 1707 N CB 0.601 39.015 38.487 -0.123 0.000 0.994 1707 N HN 0.121 nan 8.380 nan 0.000 0.489 1708 L N -0.327 120.727 121.223 -0.281 0.000 2.388 1708 L HA 0.417 4.757 4.340 0.000 0.000 0.264 1708 L C -0.653 176.056 176.870 -0.268 0.000 0.998 1708 L CA -0.535 54.181 54.840 -0.207 0.000 0.817 1708 L CB 1.982 43.995 42.059 -0.077 0.000 1.338 1708 L HN -0.132 nan 8.230 nan 0.000 0.414 1709 F N 3.954 123.902 119.950 -0.005 0.000 2.573 1709 F HA 0.312 4.839 4.527 0.000 0.000 0.349 1709 F C 0.161 176.043 175.800 0.137 0.000 1.213 1709 F CA -0.434 57.594 58.000 0.046 0.000 1.300 1709 F CB -0.075 38.941 39.000 0.026 0.000 1.661 1709 F HN 0.097 nan 8.300 nan 0.000 0.616 1710 I N 3.003 123.690 120.570 0.195 0.000 2.575 1710 I HA 0.211 4.381 4.170 0.000 0.000 0.285 1710 I C 0.103 176.377 176.117 0.262 0.000 1.085 1710 I CA -0.389 61.007 61.300 0.160 0.000 1.403 1710 I CB -0.147 37.875 38.000 0.036 0.000 1.409 1710 I HN 0.345 nan 8.210 nan 0.000 0.557 1711 F N 2.177 122.169 119.950 0.070 0.000 2.923 1711 F HA 0.822 5.350 4.527 0.000 0.000 0.323 1711 F C 0.182 176.017 175.800 0.058 0.000 1.189 1711 F CA -0.373 57.673 58.000 0.076 0.000 0.930 1711 F CB 0.843 39.910 39.000 0.112 0.000 1.414 1711 F HN 0.817 nan 8.300 nan 0.000 0.496 1712 G N 0.942 109.822 108.800 0.133 0.000 2.804 1712 G HA2 -0.040 3.920 3.960 0.000 0.000 0.230 1712 G HA3 -0.040 3.920 3.960 0.000 0.000 0.230 1712 G C -0.599 174.265 174.900 -0.061 0.000 1.386 1712 G CA -0.334 44.760 45.100 -0.010 0.000 0.875 1712 G HN 1.385 nan 8.290 nan 0.000 0.557 1713 M N -0.420 119.154 119.600 -0.042 0.000 2.255 1713 M HA 0.674 5.154 4.480 0.000 0.000 0.336 1713 M C 0.726 176.985 176.300 -0.069 0.000 1.135 1713 M CA -0.386 54.897 55.300 -0.028 0.000 1.145 1713 M CB 0.825 33.426 32.600 0.002 0.000 1.473 1713 M HN 0.644 nan 8.290 nan 0.000 0.462 1714 R N 1.061 121.535 120.500 -0.043 0.000 2.608 1714 R HA 0.418 4.758 4.340 0.000 0.000 0.255 1714 R C 1.000 177.280 176.300 -0.032 0.000 1.086 1714 R CA -0.787 55.285 56.100 -0.048 0.000 1.125 1714 R CB 0.749 31.029 30.300 -0.033 0.000 1.193 1714 R HN 0.867 nan 8.270 nan 0.000 0.553 1715 I N 1.412 121.965 120.570 -0.029 0.000 2.181 1715 I HA -0.389 3.781 4.170 0.000 0.000 0.247 1715 I C 1.249 177.357 176.117 -0.015 0.000 1.081 1715 I CA 1.971 63.259 61.300 -0.021 0.000 1.340 1715 I CB -0.075 37.916 38.000 -0.016 0.000 1.036 1715 I HN 0.526 nan 8.210 nan 0.000 0.417 1716 D N 0.574 120.967 120.400 -0.011 0.000 2.097 1716 D HA -0.167 4.473 4.640 0.000 0.000 0.197 1716 D C 1.840 178.141 176.300 0.003 0.000 0.984 1716 D CA 1.535 55.533 54.000 -0.004 0.000 0.826 1716 D CB -0.513 40.286 40.800 -0.001 0.000 0.973 1716 D HN 0.454 nan 8.370 nan 0.000 0.460 1717 D N 0.471 120.874 120.400 0.005 0.000 2.149 1717 D HA -0.105 4.535 4.640 0.000 0.000 0.198 1717 D C 2.186 178.495 176.300 0.014 0.000 0.990 1717 D CA 0.498 54.509 54.000 0.018 0.000 0.839 1717 D CB -0.115 40.698 40.800 0.023 0.000 0.948 1717 D HN 0.115 nan 8.370 nan 0.000 0.460 1718 V N 1.419 121.329 119.914 -0.007 0.000 2.626 1718 V HA -0.163 3.957 4.120 0.000 0.000 0.252 1718 V C 2.520 178.604 176.094 -0.016 0.000 1.067 1718 V CA 1.502 63.788 62.300 -0.024 0.000 1.081 1718 V CB -0.551 31.250 31.823 -0.037 0.000 0.686 1718 V HN 0.183 nan 8.190 nan 0.000 0.468 1719 A N 0.057 122.873 122.820 -0.006 0.000 1.897 1719 A HA 0.043 4.363 4.320 0.000 0.000 0.215 1719 A C 2.417 180.008 177.584 0.012 0.000 1.181 1719 A CA 1.616 53.651 52.037 -0.003 0.000 0.620 1719 A CB -0.650 18.347 19.000 -0.005 0.000 0.821 1719 A HN 0.514 nan 8.150 nan 0.000 0.443 1720 A N -0.477 122.355 122.820 0.021 0.000 1.930 1720 A HA -0.013 4.307 4.320 0.000 0.000 0.217 1720 A C 2.074 179.690 177.584 0.053 0.000 1.175 1720 A CA 1.699 53.756 52.037 0.035 0.000 0.627 1720 A CB -0.546 18.477 19.000 0.038 0.000 0.815 1720 A HN 0.645 nan 8.150 nan 0.000 0.443 1721 L N -0.124 121.136 121.223 0.061 0.000 2.141 1721 L HA -0.100 4.240 4.340 0.000 0.000 0.209 1721 L C 1.511 178.438 176.870 0.094 0.000 1.094 1721 L CA 2.158 57.059 54.840 0.102 0.000 0.763 1721 L CB -0.736 41.385 42.059 0.104 0.000 0.908 1721 L HN 0.295 nan 8.230 nan 0.000 0.437 1722 D N -0.276 120.151 120.400 0.045 0.000 2.084 1722 D HA -0.198 4.442 4.640 0.000 0.000 0.196 1722 D C 2.101 178.430 176.300 0.049 0.000 0.985 1722 D CA 1.257 55.279 54.000 0.036 0.000 0.826 1722 D CB 0.072 40.873 40.800 0.002 0.000 0.978 1722 D HN 0.322 nan 8.370 nan 0.000 0.456 1723 K N 0.956 121.380 120.400 0.039 0.000 1.987 1723 K HA -0.182 4.138 4.320 0.000 0.000 0.216 1723 K C 2.042 178.673 176.600 0.051 0.000 1.051 1723 K CA 1.397 57.706 56.287 0.037 0.000 0.942 1723 K CB -0.036 32.482 32.500 0.030 0.000 0.722 1723 K HN -0.113 nan 8.250 nan 0.000 0.444 1724 K N -0.071 120.366 120.400 0.061 0.000 2.218 1724 K HA -0.118 4.202 4.320 0.000 0.000 0.205 1724 K C 0.110 176.761 176.600 0.085 0.000 1.046 1724 K CA 1.152 57.481 56.287 0.070 0.000 0.933 1724 K CB -0.209 32.339 32.500 0.081 0.000 0.728 1724 K HN 0.505 nan 8.250 nan 0.000 0.454 1725 G N -0.386 108.478 108.800 0.106 0.000 2.675 1725 G HA2 -0.253 3.707 3.960 0.000 0.000 0.686 1725 G HA3 -0.253 3.707 3.960 0.000 0.000 0.686 1725 G C -1.700 173.327 174.900 0.212 0.000 1.215 1725 G CA -0.374 44.803 45.100 0.128 0.000 0.777 1725 G HN 0.221 nan 8.290 nan 0.000 0.638 1726 Y N 1.652 121.990 120.300 0.063 0.000 2.369 1726 Y HA 0.648 5.198 4.550 0.000 0.000 0.337 1726 Y C 0.218 176.183 175.900 0.109 0.000 0.961 1726 Y CA -1.022 57.133 58.100 0.091 0.000 1.186 1726 Y CB 1.472 39.958 38.460 0.044 0.000 1.139 1726 Y HN 0.567 nan 8.280 nan 0.000 0.494 1727 E N 5.349 125.407 120.200 -0.237 0.000 2.173 1727 E HA 0.416 4.766 4.350 0.000 0.000 0.249 1727 E C 0.292 176.687 176.600 -0.341 0.000 0.923 1727 E CA -0.056 56.212 56.400 -0.221 0.000 0.754 1727 E CB 0.980 30.653 29.700 -0.044 0.000 1.177 1727 E HN 0.987 nan 8.360 nan 0.000 0.430 1728 A N 5.646 128.127 122.820 -0.565 0.000 1.859 1728 A HA -0.279 4.041 4.320 0.000 0.000 0.217 1728 A C 1.995 179.701 177.584 0.203 0.000 1.198 1728 A CA 1.991 53.842 52.037 -0.310 0.000 0.629 1728 A CB -0.409 18.325 19.000 -0.444 0.000 0.830 1728 A HN 0.707 nan 8.150 nan 0.000 0.446 1729 K N 0.037 120.618 120.400 0.302 0.000 2.189 1729 K HA -0.278 4.042 4.320 0.000 0.000 0.207 1729 K C 1.484 178.289 176.600 0.341 0.000 1.046 1729 K CA 1.910 58.521 56.287 0.541 0.000 0.928 1729 K CB -0.660 32.086 32.500 0.409 0.000 0.720 1729 K HN 0.680 nan 8.250 nan 0.000 0.458 1730 E N 0.433 120.714 120.200 0.136 0.000 2.033 1730 E HA -0.206 4.144 4.350 0.000 0.000 0.199 1730 E C 2.053 178.594 176.600 -0.098 0.000 1.011 1730 E CA 2.026 58.392 56.400 -0.057 0.000 0.815 1730 E CB -0.379 29.164 29.700 -0.262 0.000 0.755 1730 E HN 0.500 nan 8.360 nan 0.000 0.451 1731 Y N -0.809 119.541 120.300 0.084 0.000 2.224 1731 Y HA -0.242 4.308 4.550 0.000 0.000 0.289 1731 Y C 2.249 178.110 175.900 -0.064 0.000 1.146 1731 Y CA 1.363 59.491 58.100 0.046 0.000 1.182 1731 Y CB -0.650 37.884 38.460 0.123 0.000 0.983 1731 Y HN 0.228 nan 8.280 nan 0.000 0.524 1732 Y N 1.124 121.408 120.300 -0.026 0.000 2.181 1732 Y HA -0.213 4.337 4.550 0.000 0.000 0.288 1732 Y C 2.247 178.124 175.900 -0.038 0.000 1.146 1732 Y CA 1.754 59.769 58.100 -0.141 0.000 1.164 1732 Y CB -0.211 38.318 38.460 0.115 0.000 0.982 1732 Y HN -0.018 nan 8.280 nan 0.000 0.515 1733 E N 0.162 120.253 120.200 -0.181 0.000 2.230 1733 E HA 0.037 4.387 4.350 0.000 0.000 0.192 1733 E C 2.206 178.694 176.600 -0.187 0.000 0.987 1733 E CA 0.858 57.087 56.400 -0.285 0.000 0.841 1733 E CB -0.196 29.455 29.700 -0.081 0.000 0.783 1733 E HN 0.543 nan 8.360 nan 0.000 0.481 1734 A N 0.157 122.909 122.820 -0.114 0.000 2.067 1734 A HA 0.046 4.366 4.320 0.000 0.000 0.217 1734 A C 0.881 178.434 177.584 -0.051 0.000 1.156 1734 A CA 0.381 52.370 52.037 -0.081 0.000 0.683 1734 A CB -0.005 18.943 19.000 -0.088 0.000 0.808 1734 A HN 0.121 nan 8.150 nan 0.000 0.455 1735 L N -0.095 121.089 121.223 -0.066 0.000 2.388 1735 L HA 0.335 4.675 4.340 0.000 0.000 0.267 1735 L C -1.854 174.965 176.870 -0.084 0.000 0.995 1735 L CA -1.906 52.922 54.840 -0.020 0.000 0.864 1735 L CB 1.853 43.966 42.059 0.091 0.000 1.216 1735 L HN -0.053 nan 8.230 nan 0.000 0.430 1736 P HA -0.225 nan 4.420 nan 0.000 0.216 1736 P C 1.031 178.300 177.300 -0.051 0.000 1.157 1736 P CA 1.475 64.527 63.100 -0.081 0.000 0.880 1736 P CB 0.399 32.067 31.700 -0.053 0.000 0.791 1737 E N -0.598 119.614 120.200 0.021 0.000 2.058 1737 E HA -0.190 4.160 4.350 0.000 0.000 0.194 1737 E C 2.109 178.725 176.600 0.026 0.000 0.997 1737 E CA 0.974 57.421 56.400 0.079 0.000 0.801 1737 E CB -0.845 28.976 29.700 0.202 0.000 0.746 1737 E HN 0.166 nan 8.360 nan 0.000 0.450 1738 L N 1.905 123.052 121.223 -0.126 0.000 1.976 1738 L HA -0.178 4.162 4.340 0.000 0.000 0.209 1738 L C 2.426 179.154 176.870 -0.237 0.000 1.071 1738 L CA 2.072 56.609 54.840 -0.504 0.000 0.746 1738 L CB -0.649 40.903 42.059 -0.846 0.000 0.890 1738 L HN -0.053 nan 8.230 nan 0.000 0.432 1739 K N -0.842 119.445 120.400 -0.188 0.000 2.089 1739 K HA -0.269 4.051 4.320 0.000 0.000 0.210 1739 K C 2.172 178.814 176.600 0.070 0.000 1.048 1739 K CA 2.221 58.452 56.287 -0.093 0.000 0.926 1739 K CB -0.474 31.756 32.500 -0.450 0.000 0.714 1739 K HN 0.358 nan 8.250 nan 0.000 0.448 1740 L N 0.987 122.206 121.223 -0.006 0.000 2.017 1740 L HA -0.141 4.199 4.340 0.000 0.000 0.208 1740 L C 2.066 178.981 176.870 0.074 0.000 1.073 1740 L CA 1.477 56.328 54.840 0.019 0.000 0.745 1740 L CB -0.628 41.425 42.059 -0.009 0.000 0.894 1740 L HN 0.064 nan 8.230 nan 0.000 0.432 1741 V N 0.118 120.080 119.914 0.080 0.000 2.231 1741 V HA -0.337 3.783 4.120 0.000 0.000 0.248 1741 V C 2.605 178.801 176.094 0.170 0.000 1.054 1741 V CA 1.985 64.371 62.300 0.143 0.000 1.015 1741 V CB -0.703 31.167 31.823 0.078 0.000 0.638 1741 V HN 0.387 nan 8.190 nan 0.000 0.444 1742 I N 0.484 121.133 120.570 0.131 0.000 2.091 1742 I HA -0.252 3.918 4.170 0.000 0.000 0.239 1742 I C 2.383 178.626 176.117 0.210 0.000 1.061 1742 I CA 1.948 63.361 61.300 0.189 0.000 1.317 1742 I CB -1.594 36.542 38.000 0.227 0.000 1.031 1742 I HN 0.379 nan 8.210 nan 0.000 0.401 1743 D N 0.389 120.919 120.400 0.217 0.000 2.158 1743 D HA -0.218 4.422 4.640 0.000 0.000 0.197 1743 D C 2.227 178.608 176.300 0.136 0.000 0.995 1743 D CA 1.068 55.166 54.000 0.162 0.000 0.846 1743 D CB -0.247 40.637 40.800 0.140 0.000 0.941 1743 D HN 0.497 nan 8.370 nan 0.000 0.456 1744 Q N -0.009 119.877 119.800 0.142 0.000 2.050 1744 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 1744 Q C 2.490 178.665 176.000 0.292 0.000 0.980 1744 Q CA 0.821 56.717 55.803 0.155 0.000 0.840 1744 Q CB -0.038 28.833 28.738 0.223 0.000 0.898 1744 Q HN 0.311 nan 8.270 nan 0.000 0.424 1745 I N 0.542 121.322 120.570 0.350 0.000 2.142 1745 I HA -0.283 3.887 4.170 0.000 0.000 0.240 1745 I C 2.019 178.328 176.117 0.320 0.000 1.078 1745 I CA 1.308 62.820 61.300 0.352 0.000 1.343 1745 I CB -0.167 37.953 38.000 0.200 0.000 1.046 1745 I HN 0.193 nan 8.210 nan 0.000 0.405 1746 D N 0.698 121.245 120.400 0.245 0.000 2.178 1746 D HA -0.161 4.479 4.640 0.000 0.000 0.201 1746 D C 1.687 178.089 176.300 0.170 0.000 0.980 1746 D CA 1.136 55.257 54.000 0.202 0.000 0.842 1746 D CB -0.131 40.754 40.800 0.142 0.000 0.948 1746 D HN 0.215 nan 8.370 nan 0.000 0.472 1747 N N -0.640 118.153 118.700 0.155 0.000 2.461 1747 N HA 0.094 4.834 4.740 0.000 0.000 0.188 1747 N C 1.210 176.801 175.510 0.134 0.000 1.134 1747 N CA 0.978 54.099 53.050 0.118 0.000 0.878 1747 N CB 0.806 39.341 38.487 0.080 0.000 0.972 1747 N HN 0.298 nan 8.380 nan 0.000 0.456 1748 G N 0.522 109.436 108.800 0.189 0.000 2.141 1748 G HA2 -0.299 3.661 3.960 0.000 0.000 0.231 1748 G HA3 -0.299 3.661 3.960 0.000 0.000 0.231 1748 G C 0.567 175.564 174.900 0.161 0.000 0.984 1748 G CA 0.092 45.300 45.100 0.179 0.000 0.660 1748 G HN 0.324 nan 8.290 nan 0.000 0.525 1749 F N 0.678 120.591 119.950 -0.061 0.000 2.202 1749 F HA 0.213 4.740 4.527 0.000 0.000 0.301 1749 F C 1.711 177.284 175.800 -0.378 0.000 1.082 1749 F CA 1.362 59.197 58.000 -0.275 0.000 1.313 1749 F CB -0.172 38.543 39.000 -0.474 0.000 1.024 1749 F HN 0.165 nan 8.300 nan 0.000 0.495 1750 F N -0.288 119.626 119.950 -0.061 0.000 2.664 1750 F HA 0.223 4.750 4.527 0.000 0.000 0.303 1750 F C 0.667 176.475 175.800 0.013 0.000 1.092 1750 F CA 0.278 58.171 58.000 -0.177 0.000 1.305 1750 F CB -0.329 38.563 39.000 -0.179 0.000 1.054 1750 F HN -0.012 nan 8.300 nan 0.000 0.565 1751 S N -2.103 113.711 115.700 0.190 0.000 2.708 1751 S HA 0.285 4.755 4.470 0.000 0.000 0.141 1751 S C -2.418 172.224 174.600 0.071 0.000 1.349 1751 S CA -0.968 57.314 58.200 0.136 0.000 1.206 1751 S CB 0.788 64.079 63.200 0.151 0.000 1.603 1751 S HN -0.188 nan 8.310 nan 0.000 0.415 1752 P HA -0.206 nan 4.420 nan 0.000 0.216 1752 P C 1.187 178.506 177.300 0.031 0.000 1.167 1752 P CA 1.572 64.692 63.100 0.034 0.000 0.914 1752 P CB 0.029 31.739 31.700 0.016 0.000 0.793 1753 K N -0.679 119.735 120.400 0.024 0.000 2.574 1753 K HA -0.060 4.260 4.320 0.000 0.000 0.193 1753 K C 0.451 177.061 176.600 0.017 0.000 1.035 1753 K CA 0.876 57.175 56.287 0.020 0.000 0.982 1753 K CB -0.322 32.189 32.500 0.019 0.000 0.795 1753 K HN 0.446 nan 8.250 nan 0.000 0.491 1754 Q N -0.637 119.172 119.800 0.016 0.000 3.853 1754 Q HA 0.140 4.480 4.340 0.000 0.000 0.220 1754 Q C -2.341 173.662 176.000 0.004 0.000 0.826 1754 Q CA -1.079 54.724 55.803 -0.001 0.000 0.821 1754 Q CB 1.636 30.357 28.738 -0.028 0.000 1.546 1754 Q HN -0.116 nan 8.270 nan 0.000 0.410 1755 P HA -0.226 nan 4.420 nan 0.000 0.217 1755 P C 0.247 177.591 177.300 0.074 0.000 1.148 1755 P CA 1.638 64.778 63.100 0.068 0.000 0.834 1755 P CB 0.193 31.928 31.700 0.059 0.000 0.783 1756 D N -2.333 118.088 120.400 0.036 0.000 2.340 1756 D HA 0.013 4.653 4.640 0.000 0.000 0.217 1756 D C 1.510 177.802 176.300 -0.014 0.000 1.081 1756 D CA -0.305 53.720 54.000 0.041 0.000 0.842 1756 D CB -0.996 39.827 40.800 0.038 0.000 0.934 1756 D HN -0.033 nan 8.370 nan 0.000 0.511 1757 L N -0.087 121.059 121.223 -0.129 0.000 2.064 1757 L HA -0.147 4.193 4.340 0.000 0.000 0.216 1757 L C 0.795 177.390 176.870 -0.459 0.000 1.077 1757 L CA 1.688 56.309 54.840 -0.365 0.000 0.766 1757 L CB -0.500 41.147 42.059 -0.687 0.000 0.890 1757 L HN 0.028 nan 8.230 nan 0.000 0.435 1758 F N -1.172 118.827 119.950 0.082 0.000 2.798 1758 F HA 0.195 4.722 4.527 0.000 0.000 0.291 1758 F C 1.767 177.625 175.800 0.096 0.000 1.174 1758 F CA -0.339 57.704 58.000 0.072 0.000 1.392 1758 F CB -0.572 38.463 39.000 0.058 0.000 0.966 1758 F HN -0.085 nan 8.300 nan 0.000 0.509 1759 K N 1.083 121.588 120.400 0.174 0.000 2.002 1759 K HA -0.151 4.169 4.320 0.000 0.000 0.209 1759 K C 1.507 178.221 176.600 0.191 0.000 1.048 1759 K CA 1.589 57.976 56.287 0.167 0.000 0.930 1759 K CB -0.466 32.104 32.500 0.117 0.000 0.714 1759 K HN 0.159 nan 8.250 nan 0.000 0.438 1760 D N 0.356 120.868 120.400 0.188 0.000 2.158 1760 D HA -0.170 4.470 4.640 0.000 0.000 0.197 1760 D C 2.030 178.449 176.300 0.198 0.000 0.995 1760 D CA 1.056 55.179 54.000 0.205 0.000 0.846 1760 D CB -0.182 40.774 40.800 0.260 0.000 0.941 1760 D HN 0.262 nan 8.370 nan 0.000 0.456 1761 I N 0.676 121.364 120.570 0.197 0.000 2.163 1761 I HA -0.211 3.959 4.170 0.000 0.000 0.240 1761 I C 2.302 178.519 176.117 0.167 0.000 1.081 1761 I CA 0.566 61.964 61.300 0.162 0.000 1.353 1761 I CB -0.177 37.925 38.000 0.169 0.000 1.054 1761 I HN -0.038 nan 8.210 nan 0.000 0.407 1762 I N 1.094 121.794 120.570 0.217 0.000 2.208 1762 I HA -0.319 3.851 4.170 0.000 0.000 0.245 1762 I C 2.288 178.578 176.117 0.290 0.000 1.097 1762 I CA 1.822 63.281 61.300 0.264 0.000 1.363 1762 I CB -1.626 36.528 38.000 0.257 0.000 1.051 1762 I HN 0.353 nan 8.210 nan 0.000 0.413 1763 N N 0.538 119.398 118.700 0.267 0.000 2.120 1763 N HA -0.200 4.540 4.740 0.000 0.000 0.188 1763 N C 1.898 177.612 175.510 0.341 0.000 1.024 1763 N CA 1.224 54.480 53.050 0.342 0.000 0.852 1763 N CB -0.167 38.528 38.487 0.346 0.000 1.003 1763 N HN 0.160 nan 8.380 nan 0.000 0.424 1764 M N -0.183 119.575 119.600 0.263 0.000 2.099 1764 M HA -0.089 4.391 4.480 0.000 0.000 0.262 1764 M C 1.406 177.738 176.300 0.054 0.000 1.067 1764 M CA 1.231 56.671 55.300 0.234 0.000 1.124 1764 M CB -0.646 32.058 32.600 0.173 0.000 1.353 1764 M HN 0.196 nan 8.290 nan 0.000 0.410 1765 L N 0.242 121.425 121.223 -0.067 0.000 2.129 1765 L HA -0.193 4.147 4.340 0.000 0.000 0.212 1765 L C 2.084 178.565 176.870 -0.648 0.000 1.087 1765 L CA 1.938 56.524 54.840 -0.423 0.000 0.757 1765 L CB -1.446 40.367 42.059 -0.411 0.000 0.896 1765 L HN 0.269 nan 8.230 nan 0.000 0.434 1766 F N -3.086 116.635 119.950 -0.382 0.000 2.437 1766 F HA -0.064 4.463 4.527 0.000 0.000 0.288 1766 F C 1.706 177.048 175.800 -0.762 0.000 1.085 1766 F CA 0.697 58.311 58.000 -0.644 0.000 1.430 1766 F CB -0.044 38.356 39.000 -1.000 0.000 1.120 1766 F HN -0.004 nan 8.300 nan 0.000 0.556 1767 Y N -3.002 117.307 120.300 0.014 0.000 2.426 1767 Y HA 0.198 4.748 4.550 0.000 0.000 0.249 1767 Y C 0.053 175.528 175.900 -0.709 0.000 1.103 1767 Y CA -0.069 57.825 58.100 -0.345 0.000 1.256 1767 Y CB 0.194 38.379 38.460 -0.460 0.000 1.208 1767 Y HN -0.009 nan 8.280 nan 0.000 0.519 1768 H N -1.355 117.812 119.070 0.163 0.000 2.924 1768 H HA 0.196 4.752 4.556 0.000 0.000 0.229 1768 H C -1.304 174.050 175.328 0.043 0.000 1.345 1768 H CA -0.751 55.364 56.048 0.112 0.000 1.044 1768 H CB 0.288 30.125 29.762 0.126 0.000 2.221 1768 H HN -0.059 nan 8.280 nan 0.000 0.574 1769 D N 1.236 121.680 120.400 0.074 0.000 2.456 1769 D HA 0.126 4.766 4.640 0.000 0.000 0.219 1769 D C 0.964 177.173 176.300 -0.151 0.000 1.126 1769 D CA -0.454 53.539 54.000 -0.013 0.000 0.890 1769 D CB 0.638 41.400 40.800 -0.063 0.000 1.025 1769 D HN 0.350 nan 8.370 nan 0.000 0.511 1770 R N 2.338 122.631 120.500 -0.345 0.000 2.280 1770 R HA -0.010 4.330 4.340 0.000 0.000 0.207 1770 R C 0.451 176.288 176.300 -0.771 0.000 1.043 1770 R CA 0.656 56.395 56.100 -0.602 0.000 1.006 1770 R CB 0.006 29.827 30.300 -0.798 0.000 0.885 1770 R HN 0.359 nan 8.270 nan 0.000 0.467 1771 F N 1.402 121.303 119.950 -0.081 0.000 2.639 1771 F HA 0.257 4.784 4.527 0.000 0.000 0.300 1771 F C -0.025 175.652 175.800 -0.206 0.000 1.109 1771 F CA -1.025 56.915 58.000 -0.099 0.000 1.335 1771 F CB -0.140 38.859 39.000 -0.002 0.000 1.014 1771 F HN -0.224 nan 8.300 nan 0.000 0.537 1772 K N -0.187 120.017 120.400 -0.327 0.000 4.116 1772 K HA -0.189 4.131 4.320 0.000 0.000 0.277 1772 K C 0.996 177.462 176.600 -0.222 0.000 0.835 1772 K CA 0.102 56.051 56.287 -0.562 0.000 0.740 1772 K CB -1.451 30.580 32.500 -0.782 0.000 1.714 1772 K HN 0.225 nan 8.250 nan 0.000 0.433 1773 V N 0.329 120.157 119.914 -0.143 0.000 2.343 1773 V HA -0.245 3.875 4.120 0.000 0.000 0.247 1773 V C 1.883 178.069 176.094 0.153 0.000 1.051 1773 V CA 1.948 64.232 62.300 -0.027 0.000 1.036 1773 V CB -0.485 31.294 31.823 -0.072 0.000 0.654 1773 V HN 0.572 nan 8.190 nan 0.000 0.451 1774 F N 0.257 120.179 119.950 -0.046 0.000 2.259 1774 F HA -0.047 4.480 4.527 0.000 0.000 0.298 1774 F C 2.471 178.041 175.800 -0.385 0.000 1.088 1774 F CA 0.489 58.416 58.000 -0.123 0.000 1.358 1774 F CB -0.317 38.600 39.000 -0.138 0.000 1.040 1774 F HN 0.174 nan 8.300 nan 0.000 0.505 1775 A N -0.728 121.880 122.820 -0.353 0.000 2.172 1775 A HA -0.169 4.151 4.320 0.000 0.000 0.216 1775 A C 1.290 178.821 177.584 -0.088 0.000 1.154 1775 A CA 1.697 53.393 52.037 -0.568 0.000 0.701 1775 A CB -0.394 18.431 19.000 -0.292 0.000 0.789 1775 A HN 0.220 nan 8.150 nan 0.000 0.465 1776 D N -3.305 117.130 120.400 0.058 0.000 2.469 1776 D HA 0.107 4.747 4.640 0.000 0.000 0.213 1776 D C 1.056 177.540 176.300 0.307 0.000 1.135 1776 D CA -0.163 53.956 54.000 0.198 0.000 0.834 1776 D CB -0.061 40.850 40.800 0.184 0.000 1.009 1776 D HN 0.488 nan 8.370 nan 0.000 0.507 1777 Y N 2.052 122.458 120.300 0.177 0.000 2.128 1777 Y HA -0.226 4.324 4.550 0.000 0.000 0.284 1777 Y C 2.214 178.239 175.900 0.207 0.000 1.154 1777 Y CA 2.290 60.523 58.100 0.221 0.000 1.149 1777 Y CB 0.168 38.736 38.460 0.180 0.000 0.976 1777 Y HN -0.048 nan 8.280 nan 0.000 0.505 1778 E N 0.124 120.454 120.200 0.217 0.000 2.017 1778 E HA -0.238 4.112 4.350 0.000 0.000 0.193 1778 E C 2.335 178.947 176.600 0.019 0.000 0.997 1778 E CA 1.446 57.891 56.400 0.076 0.000 0.804 1778 E CB -0.521 29.305 29.700 0.209 0.000 0.757 1778 E HN 0.520 nan 8.360 nan 0.000 0.448 1779 A N 0.132 123.037 122.820 0.140 0.000 1.948 1779 A HA -0.232 4.088 4.320 0.000 0.000 0.220 1779 A C 2.131 179.766 177.584 0.085 0.000 1.177 1779 A CA 1.751 53.892 52.037 0.174 0.000 0.636 1779 A CB -1.041 18.141 19.000 0.304 0.000 0.815 1779 A HN 0.626 nan 8.150 nan 0.000 0.449 1780 Y N 0.926 121.130 120.300 -0.161 0.000 2.089 1780 Y HA -0.194 4.356 4.550 0.000 0.000 0.282 1780 Y C 2.443 178.021 175.900 -0.535 0.000 1.139 1780 Y CA 1.899 59.601 58.100 -0.664 0.000 1.123 1780 Y CB -0.765 37.389 38.460 -0.511 0.000 0.980 1780 Y HN 0.066 nan 8.280 nan 0.000 0.493 1781 V N 0.520 120.104 119.914 -0.551 0.000 2.392 1781 V HA -0.322 3.798 4.120 0.000 0.000 0.249 1781 V C 2.348 178.245 176.094 -0.328 0.000 1.059 1781 V CA 2.322 64.324 62.300 -0.497 0.000 1.051 1781 V CB -0.776 30.769 31.823 -0.464 0.000 0.658 1781 V HN 0.262 nan 8.190 nan 0.000 0.455 1782 K N -0.718 119.546 120.400 -0.227 0.000 2.026 1782 K HA -0.195 4.125 4.320 0.000 0.000 0.208 1782 K C 2.331 178.855 176.600 -0.126 0.000 1.048 1782 K CA 1.820 58.037 56.287 -0.117 0.000 0.929 1782 K CB -0.621 31.857 32.500 -0.037 0.000 0.713 1782 K HN 0.536 nan 8.250 nan 0.000 0.439 1783 C N 1.094 120.287 119.300 -0.178 0.000 2.413 1783 C HA -0.127 4.333 4.460 0.000 0.000 0.276 1783 C C 2.639 177.451 174.990 -0.296 0.000 1.236 1783 C CA 0.901 59.831 59.018 -0.146 0.000 1.735 1783 C CB -0.703 26.928 27.740 -0.182 0.000 2.031 1783 C HN 0.483 nan 8.230 nan 0.000 0.474 1784 Q N 0.405 119.890 119.800 -0.525 0.000 2.152 1784 Q HA -0.179 4.161 4.340 0.000 0.000 0.206 1784 Q C 1.741 177.576 176.000 -0.275 0.000 0.985 1784 Q CA 1.902 57.372 55.803 -0.555 0.000 0.863 1784 Q CB -0.632 27.590 28.738 -0.859 0.000 0.904 1784 Q HN 0.702 nan 8.270 nan 0.000 0.422 1785 D N 0.473 120.778 120.400 -0.159 0.000 2.117 1785 D HA -0.120 4.520 4.640 0.000 0.000 0.197 1785 D C 1.846 178.130 176.300 -0.026 0.000 0.987 1785 D CA 1.063 55.032 54.000 -0.050 0.000 0.829 1785 D CB -0.022 40.761 40.800 -0.029 0.000 0.961 1785 D HN 0.121 nan 8.370 nan 0.000 0.460 1786 K N 0.238 120.628 120.400 -0.017 0.000 2.103 1786 K HA -0.087 4.233 4.320 0.000 0.000 0.207 1786 K C 2.091 178.737 176.600 0.077 0.000 1.048 1786 K CA 0.372 56.721 56.287 0.103 0.000 0.930 1786 K CB -0.220 32.419 32.500 0.231 0.000 0.716 1786 K HN -0.034 nan 8.250 nan 0.000 0.444 1787 V N 0.318 120.055 119.914 -0.296 0.000 2.237 1787 V HA -0.287 3.833 4.120 0.000 0.000 0.245 1787 V C 2.038 178.141 176.094 0.014 0.000 1.046 1787 V CA 2.083 64.082 62.300 -0.502 0.000 1.007 1787 V CB -0.546 30.853 31.823 -0.706 0.000 0.638 1787 V HN 0.287 nan 8.190 nan 0.000 0.445 1788 S N -0.933 114.739 115.700 -0.047 0.000 2.387 1788 S HA -0.271 4.199 4.470 0.000 0.000 0.230 1788 S C 2.008 176.674 174.600 0.110 0.000 1.035 1788 S CA 1.395 59.595 58.200 0.001 0.000 1.014 1788 S CB -0.341 62.854 63.200 -0.008 0.000 0.836 1788 S HN 0.547 nan 8.310 nan 0.000 0.466 1789 Q N 0.483 120.358 119.800 0.125 0.000 2.020 1789 Q HA -0.059 4.281 4.340 0.000 0.000 0.202 1789 Q C 2.335 178.459 176.000 0.206 0.000 0.982 1789 Q CA 1.058 56.949 55.803 0.147 0.000 0.838 1789 Q CB -0.897 27.924 28.738 0.138 0.000 0.899 1789 Q HN 0.469 nan 8.270 nan 0.000 0.423 1790 L N -0.096 121.319 121.223 0.321 0.000 2.127 1790 L HA -0.182 4.158 4.340 0.000 0.000 0.211 1790 L C 2.144 179.289 176.870 0.458 0.000 1.089 1790 L CA 1.573 56.670 54.840 0.429 0.000 0.757 1790 L CB -0.694 41.746 42.059 0.634 0.000 0.899 1790 L HN 0.184 nan 8.230 nan 0.000 0.434 1791 Y N -0.942 119.486 120.300 0.213 0.000 2.497 1791 Y HA -0.167 4.383 4.550 0.000 0.000 0.292 1791 Y C 2.245 178.045 175.900 -0.166 0.000 1.137 1791 Y CA 1.353 59.301 58.100 -0.254 0.000 1.285 1791 Y CB -0.126 38.000 38.460 -0.557 0.000 0.991 1791 Y HN 0.216 nan 8.280 nan 0.000 0.556 1792 M N -0.649 118.981 119.600 0.049 0.000 2.492 1792 M HA -0.093 4.387 4.480 0.000 0.000 0.262 1792 M C 0.362 176.646 176.300 -0.027 0.000 1.090 1792 M CA 0.710 56.014 55.300 0.008 0.000 1.110 1792 M CB 0.048 32.683 32.600 0.057 0.000 1.407 1792 M HN 0.039 nan 8.290 nan 0.000 0.470 1793 N N 0.535 119.240 118.700 0.008 0.000 2.936 1793 N HA 0.189 4.929 4.740 0.000 0.000 0.243 1793 N C -2.236 173.280 175.510 0.009 0.000 1.149 1793 N CA -2.122 50.941 53.050 0.021 0.000 0.914 1793 N CB 0.808 39.339 38.487 0.074 0.000 1.179 1793 N HN -0.153 nan 8.380 nan 0.000 0.502 1794 P HA -0.269 nan 4.420 nan 0.000 0.217 1794 P C 1.337 178.654 177.300 0.028 0.000 1.162 1794 P CA 1.501 64.537 63.100 -0.106 0.000 0.901 1794 P CB 0.374 31.992 31.700 -0.137 0.000 0.793 1795 K N -0.641 119.774 120.400 0.026 0.000 2.113 1795 K HA -0.171 4.149 4.320 0.000 0.000 0.208 1795 K C 1.900 178.550 176.600 0.083 0.000 1.047 1795 K CA 1.808 58.125 56.287 0.050 0.000 0.928 1795 K CB -0.554 31.968 32.500 0.036 0.000 0.716 1795 K HN 0.040 nan 8.250 nan 0.000 0.446 1796 A N 0.597 123.477 122.820 0.100 0.000 2.016 1796 A HA -0.125 4.195 4.320 0.000 0.000 0.217 1796 A C 1.841 179.519 177.584 0.157 0.000 1.162 1796 A CA 0.533 52.636 52.037 0.110 0.000 0.662 1796 A CB -0.696 18.367 19.000 0.106 0.000 0.812 1796 A HN 0.666 nan 8.150 nan 0.000 0.450 1797 W N 1.353 122.650 121.300 -0.005 0.000 2.407 1797 W HA -0.093 4.567 4.660 0.000 0.000 0.305 1797 W C 1.163 177.689 176.519 0.012 0.000 1.196 1797 W CA 1.515 58.868 57.345 0.014 0.000 1.311 1797 W CB -0.369 29.056 29.460 -0.057 0.000 1.135 1797 W HN 0.371 nan 8.180 nan 0.000 0.514 1798 N N 0.097 118.954 118.700 0.262 0.000 2.459 1798 N HA -0.104 4.636 4.740 0.000 0.000 0.181 1798 N C 1.518 177.064 175.510 0.059 0.000 1.046 1798 N CA 1.643 54.776 53.050 0.137 0.000 0.904 1798 N CB -0.286 38.267 38.487 0.109 0.000 0.964 1798 N HN 0.103 nan 8.380 nan 0.000 0.444 1799 T N 1.200 115.790 114.554 0.061 0.000 2.812 1799 T HA -0.002 4.348 4.350 0.000 0.000 0.264 1799 T C 1.945 176.654 174.700 0.015 0.000 1.042 1799 T CA 0.573 62.708 62.100 0.058 0.000 1.140 1799 T CB 0.078 68.980 68.868 0.056 0.000 0.870 1799 T HN 0.176 nan 8.240 nan 0.000 0.445 1800 M N 0.739 120.305 119.600 -0.057 0.000 2.132 1800 M HA -0.064 4.416 4.480 0.000 0.000 0.263 1800 M C 2.168 178.390 176.300 -0.130 0.000 1.065 1800 M CA 1.199 56.426 55.300 -0.121 0.000 1.122 1800 M CB -0.202 32.262 32.600 -0.227 0.000 1.365 1800 M HN 0.055 nan 8.290 nan 0.000 0.411 1801 V N 0.862 120.672 119.914 -0.173 0.000 2.287 1801 V HA -0.294 3.826 4.120 0.000 0.000 0.248 1801 V C 2.342 178.421 176.094 -0.026 0.000 1.053 1801 V CA 1.772 63.998 62.300 -0.123 0.000 1.027 1801 V CB -0.839 30.933 31.823 -0.085 0.000 0.646 1801 V HN 0.532 nan 8.190 nan 0.000 0.447 1802 L N 0.150 121.387 121.223 0.023 0.000 2.042 1802 L HA -0.170 4.170 4.340 0.000 0.000 0.210 1802 L C 2.351 179.265 176.870 0.072 0.000 1.076 1802 L CA 1.949 56.840 54.840 0.085 0.000 0.749 1802 L CB -0.848 41.320 42.059 0.180 0.000 0.893 1802 L HN 0.222 nan 8.230 nan 0.000 0.432 1803 K N -0.653 119.796 120.400 0.083 0.000 2.209 1803 K HA -0.136 4.184 4.320 0.000 0.000 0.204 1803 K C 1.878 178.535 176.600 0.094 0.000 1.048 1803 K CA 1.330 57.699 56.287 0.136 0.000 0.940 1803 K CB -0.175 32.372 32.500 0.079 0.000 0.729 1803 K HN 0.571 nan 8.250 nan 0.000 0.451 1804 N N 0.703 119.421 118.700 0.029 0.000 2.132 1804 N HA -0.039 4.701 4.740 0.000 0.000 0.187 1804 N C 2.003 177.532 175.510 0.033 0.000 1.038 1804 N CA 0.829 53.894 53.050 0.025 0.000 0.846 1804 N CB -0.028 38.450 38.487 -0.015 0.000 1.012 1804 N HN 0.054 nan 8.380 nan 0.000 0.429 1805 I N 1.708 122.284 120.570 0.010 0.000 2.208 1805 I HA -0.245 3.925 4.170 0.000 0.000 0.245 1805 I C 2.386 178.479 176.117 -0.041 0.000 1.097 1805 I CA 0.899 62.196 61.300 -0.005 0.000 1.363 1805 I CB -0.316 37.673 38.000 -0.019 0.000 1.051 1805 I HN 0.115 nan 8.210 nan 0.000 0.413 1806 A N 0.345 123.111 122.820 -0.089 0.000 2.121 1806 A HA 0.108 4.428 4.320 0.000 0.000 0.218 1806 A C 1.999 179.484 177.584 -0.164 0.000 1.154 1806 A CA 1.541 53.426 52.037 -0.254 0.000 0.679 1806 A CB -0.412 18.218 19.000 -0.616 0.000 0.795 1806 A HN 0.443 nan 8.150 nan 0.000 0.458 1807 A N -0.246 122.576 122.820 0.003 0.000 2.594 1807 A HA 0.425 4.745 4.320 0.000 0.000 0.287 1807 A C 1.432 179.087 177.584 0.118 0.000 1.227 1807 A CA 0.698 52.785 52.037 0.082 0.000 0.952 1807 A CB -0.347 18.741 19.000 0.147 0.000 1.161 1807 A HN 0.686 nan 8.150 nan 0.000 0.524 1808 S N -1.774 113.996 115.700 0.116 0.000 2.556 1808 S HA 0.163 4.633 4.470 0.000 0.000 0.216 1808 S C 1.777 176.468 174.600 0.153 0.000 0.970 1808 S CA 0.736 59.082 58.200 0.244 0.000 0.912 1808 S CB -0.175 63.142 63.200 0.195 0.000 0.790 1808 S HN 0.563 nan 8.310 nan 0.000 0.504 1809 G N 3.168 111.989 108.800 0.035 0.000 2.505 1809 G HA2 -0.350 3.610 3.960 0.000 0.000 0.220 1809 G HA3 -0.350 3.610 3.960 0.000 0.000 0.220 1809 G C 1.339 176.188 174.900 -0.084 0.000 1.145 1809 G CA 1.257 46.356 45.100 -0.001 0.000 0.761 1809 G HN 0.680 nan 8.290 nan 0.000 0.571 1810 K N -0.096 120.148 120.400 -0.260 0.000 2.160 1810 K HA -0.092 4.228 4.320 0.000 0.000 0.206 1810 K C 1.418 177.737 176.600 -0.468 0.000 1.047 1810 K CA 1.210 57.226 56.287 -0.451 0.000 0.930 1810 K CB -0.408 31.645 32.500 -0.744 0.000 0.720 1810 K HN 0.309 nan 8.250 nan 0.000 0.450 1811 F N 1.392 121.361 119.950 0.032 0.000 2.695 1811 F HA 0.184 4.711 4.527 0.000 0.000 0.301 1811 F C 0.730 176.561 175.800 0.052 0.000 1.182 1811 F CA -0.228 57.795 58.000 0.037 0.000 1.412 1811 F CB -0.286 38.726 39.000 0.020 0.000 1.056 1811 F HN -0.072 nan 8.300 nan 0.000 0.522 1812 S N 0.079 115.856 115.700 0.128 0.000 2.545 1812 S HA 0.141 4.611 4.470 0.000 0.000 0.275 1812 S C 1.407 176.091 174.600 0.140 0.000 1.299 1812 S CA -0.224 58.051 58.200 0.126 0.000 1.048 1812 S CB 0.786 64.033 63.200 0.078 0.000 0.938 1812 S HN 0.327 nan 8.310 nan 0.000 0.496 1813 S N 3.083 118.891 115.700 0.179 0.000 2.547 1813 S HA -0.057 4.413 4.470 0.000 0.000 0.235 1813 S C 0.861 175.546 174.600 0.141 0.000 0.980 1813 S CA 0.636 58.982 58.200 0.243 0.000 0.941 1813 S CB -0.282 63.120 63.200 0.337 0.000 0.763 1813 S HN 0.762 nan 8.310 nan 0.000 0.532 1814 D N 1.677 122.130 120.400 0.089 0.000 2.194 1814 D HA 0.004 4.644 4.640 0.000 0.000 0.204 1814 D C 2.100 178.415 176.300 0.026 0.000 0.964 1814 D CA 0.556 54.583 54.000 0.046 0.000 0.846 1814 D CB -0.208 40.612 40.800 0.034 0.000 0.962 1814 D HN 0.284 nan 8.370 nan 0.000 0.490 1815 R N 0.527 121.044 120.500 0.029 0.000 2.075 1815 R HA -0.043 4.297 4.340 0.000 0.000 0.226 1815 R C 1.722 178.023 176.300 0.002 0.000 1.114 1815 R CA 1.164 57.264 56.100 0.002 0.000 0.972 1815 R CB -0.587 29.701 30.300 -0.020 0.000 0.869 1815 R HN 0.077 nan 8.270 nan 0.000 0.437 1816 T N 2.304 116.889 114.554 0.050 0.000 2.652 1816 T HA -0.111 4.239 4.350 0.000 0.000 0.267 1816 T C 1.906 176.624 174.700 0.031 0.000 1.039 1816 T CA 1.319 63.471 62.100 0.087 0.000 1.153 1816 T CB -0.125 68.900 68.868 0.262 0.000 0.863 1816 T HN 0.095 nan 8.240 nan 0.000 0.428 1817 I N 1.193 121.705 120.570 -0.096 0.000 2.361 1817 I HA -0.093 4.077 4.170 0.000 0.000 0.251 1817 I C 2.318 178.388 176.117 -0.079 0.000 1.133 1817 I CA 1.367 62.552 61.300 -0.191 0.000 1.413 1817 I CB -0.859 37.039 38.000 -0.169 0.000 1.073 1817 I HN 0.281 nan 8.210 nan 0.000 0.424 1818 K N 0.606 120.982 120.400 -0.039 0.000 2.057 1818 K HA -0.183 4.137 4.320 0.000 0.000 0.207 1818 K C 1.953 178.513 176.600 -0.067 0.000 1.049 1818 K CA 1.335 57.606 56.287 -0.028 0.000 0.931 1818 K CB 0.009 32.498 32.500 -0.018 0.000 0.714 1818 K HN 0.370 nan 8.250 nan 0.000 0.440 1819 E N -0.778 119.361 120.200 -0.103 0.000 2.152 1819 E HA -0.169 4.181 4.350 0.000 0.000 0.192 1819 E C 1.707 178.141 176.600 -0.277 0.000 0.983 1819 E CA 0.993 57.292 56.400 -0.170 0.000 0.818 1819 E CB -0.001 29.583 29.700 -0.193 0.000 0.758 1819 E HN 0.323 nan 8.360 nan 0.000 0.467 1820 Y N 0.723 120.742 120.300 -0.468 0.000 2.133 1820 Y HA -0.178 4.372 4.550 0.000 0.000 0.287 1820 Y C 2.468 177.897 175.900 -0.785 0.000 1.134 1820 Y CA 1.258 58.843 58.100 -0.858 0.000 1.133 1820 Y CB -0.417 37.146 38.460 -1.495 0.000 0.987 1820 Y HN 0.029 nan 8.280 nan 0.000 0.502 1821 A N -0.346 122.309 122.820 -0.275 0.000 1.908 1821 A HA -0.277 4.043 4.320 0.000 0.000 0.218 1821 A C 2.185 179.795 177.584 0.043 0.000 1.181 1821 A CA 2.029 54.123 52.037 0.094 0.000 0.627 1821 A CB -0.707 18.399 19.000 0.176 0.000 0.818 1821 A HN 0.522 nan 8.150 nan 0.000 0.445 1822 Q N -0.671 119.108 119.800 -0.035 0.000 2.049 1822 Q HA -0.098 4.242 4.340 0.000 0.000 0.198 1822 Q C 0.965 176.943 176.000 -0.038 0.000 0.971 1822 Q CA 1.441 57.229 55.803 -0.025 0.000 0.833 1822 Q CB -0.077 28.637 28.738 -0.041 0.000 0.896 1822 Q HN 0.751 nan 8.270 nan 0.000 0.434 1823 N N -0.884 117.758 118.700 -0.097 0.000 2.205 1823 N HA 0.156 4.896 4.740 0.000 0.000 0.201 1823 N C 1.243 176.714 175.510 -0.065 0.000 1.128 1823 N CA 0.284 53.284 53.050 -0.083 0.000 0.867 1823 N CB 1.043 39.459 38.487 -0.120 0.000 0.996 1823 N HN 0.278 nan 8.380 nan 0.000 0.503 1824 I N -1.459 119.052 120.570 -0.097 0.000 3.878 1824 I HA 0.094 4.264 4.170 0.000 0.000 0.273 1824 I C 1.216 177.478 176.117 0.241 0.000 1.165 1824 I CA -0.031 61.272 61.300 0.005 0.000 1.360 1824 I CB 0.117 37.997 38.000 -0.201 0.000 1.539 1824 I HN -0.010 nan 8.210 nan 0.000 0.447 1825 W N 1.476 122.864 121.300 0.146 0.000 2.576 1825 W HA 0.123 4.783 4.660 -0.000 0.000 0.270 1825 W C 0.696 177.244 176.519 0.049 0.000 1.255 1825 W CA 0.191 57.598 57.345 0.104 0.000 1.314 1825 W CB -1.180 28.330 29.460 0.084 0.000 1.101 1825 W HN 0.300 nan 8.180 nan 0.000 0.595 1826 N N 0.045 118.886 118.700 0.234 0.000 2.756 1826 N HA -0.178 4.562 4.740 0.000 0.000 0.248 1826 N C -0.916 174.668 175.510 0.124 0.000 1.062 1826 N CA 1.018 54.146 53.050 0.129 0.000 0.696 1826 N CB -1.293 37.243 38.487 0.082 0.000 0.946 1826 N HN -0.037 nan 8.380 nan 0.000 0.548 1827 V N -2.607 117.402 119.914 0.158 0.000 2.864 1827 V HA 0.756 4.876 4.120 0.000 0.000 0.314 1827 V C 0.334 176.487 176.094 0.097 0.000 1.073 1827 V CA -1.006 61.364 62.300 0.117 0.000 0.956 1827 V CB 2.166 34.066 31.823 0.128 0.000 1.023 1827 V HN 0.229 nan 8.190 nan 0.000 0.435 1828 E N 2.475 122.717 120.200 0.071 0.000 2.179 1828 E HA 0.616 4.966 4.350 0.000 0.000 0.275 1828 E C -2.657 173.984 176.600 0.069 0.000 0.945 1828 E CA -2.132 54.306 56.400 0.064 0.000 0.792 1828 E CB 1.992 31.724 29.700 0.054 0.000 1.125 1828 E HN 0.721 nan 8.360 nan 0.000 0.397 1829 P HA 0.096 nan 4.420 nan 0.000 0.275 1829 P C -1.163 176.179 177.300 0.070 0.000 1.228 1829 P CA -0.352 62.788 63.100 0.066 0.000 0.786 1829 P CB 1.133 32.865 31.700 0.054 0.000 0.927 1830 S N 1.238 116.986 115.700 0.081 0.000 2.498 1830 S HA 0.472 4.942 4.470 0.000 0.000 0.317 1830 S C -0.777 173.853 174.600 0.049 0.000 1.090 1830 S CA -0.393 57.856 58.200 0.082 0.000 1.089 1830 S CB 0.274 63.555 63.200 0.136 0.000 0.997 1830 S HN 0.325 nan 8.310 nan 0.000 0.470 1831 D N 0.000 120.418 120.400 0.030 0.000 6.856 1831 D HA 0.000 4.640 4.640 0.000 0.000 0.175 1831 D CA 0.000 54.007 54.000 0.012 0.000 0.868 1831 D CB 0.000 40.809 40.800 0.015 0.000 0.688 1831 D HN 0.000 nan 8.370 nan 0.000 0.683