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 1xoi_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 XXXXXXXXXY IQAVLDRNLA DATA SEQUENCE ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK ASKFGSTRGA DATA SEQUENCE ATVFDAFPDQ 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 NIWNVEPSDL KISLSN 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 0.000 175.536 175.510 0.044 0.000 1.280 1023 N CA 0.000 53.074 53.050 0.039 0.000 0.885 1023 N CB 0.000 38.507 38.487 0.034 0.000 1.341 1024 V N 0.265 120.198 119.914 0.032 0.000 2.370 1024 V HA -0.312 3.806 4.120 -0.003 0.000 0.252 1024 V C 2.652 178.770 176.094 0.039 0.000 1.068 1024 V CA 2.766 65.085 62.300 0.031 0.000 1.061 1024 V CB -1.298 30.541 31.823 0.026 0.000 0.656 1024 V HN 0.841 nan 8.190 nan 0.000 0.455 1025 A N -0.617 122.226 122.820 0.038 0.000 1.898 1025 A HA -0.178 4.140 4.320 -0.003 0.000 0.216 1025 A C 2.221 179.839 177.584 0.056 0.000 1.181 1025 A CA 1.554 53.615 52.037 0.038 0.000 0.620 1025 A CB -0.392 18.627 19.000 0.031 0.000 0.819 1025 A HN 0.516 nan 8.150 nan 0.000 0.442 1026 E N 0.060 120.300 120.200 0.067 0.000 2.150 1026 E HA -0.100 4.248 4.350 -0.003 0.000 0.193 1026 E C 2.029 178.703 176.600 0.123 0.000 0.985 1026 E CA 0.735 57.187 56.400 0.086 0.000 0.814 1026 E CB -0.379 29.374 29.700 0.088 0.000 0.752 1026 E HN 0.677 nan 8.360 nan 0.000 0.466 1027 L N 0.709 122.009 121.223 0.128 0.000 2.056 1027 L HA -0.161 4.177 4.340 -0.003 0.000 0.207 1027 L C 2.464 179.438 176.870 0.174 0.000 1.078 1027 L CA 1.168 56.107 54.840 0.165 0.000 0.749 1027 L CB -0.271 41.857 42.059 0.115 0.000 0.901 1027 L HN 0.028 nan 8.230 nan 0.000 0.433 1028 K N 0.091 120.557 120.400 0.110 0.000 2.097 1028 K HA -0.211 4.107 4.320 -0.003 0.000 0.205 1028 K C 2.142 178.842 176.600 0.166 0.000 1.050 1028 K CA 1.114 57.459 56.287 0.097 0.000 0.938 1028 K CB -0.066 32.448 32.500 0.024 0.000 0.718 1028 K HN 0.200 nan 8.250 nan 0.000 0.442 1029 K N 0.896 121.374 120.400 0.130 0.000 2.057 1029 K HA -0.134 4.184 4.320 -0.003 0.000 0.207 1029 K C 2.338 179.027 176.600 0.149 0.000 1.049 1029 K CA 1.581 57.938 56.287 0.117 0.000 0.931 1029 K CB -0.111 32.438 32.500 0.081 0.000 0.714 1029 K HN -0.043 nan 8.250 nan 0.000 0.440 1030 S N -0.070 115.735 115.700 0.176 0.000 2.368 1030 S HA -0.172 4.296 4.470 -0.003 0.000 0.225 1030 S C 1.757 176.524 174.600 0.279 0.000 1.030 1030 S CA 1.124 59.438 58.200 0.190 0.000 0.999 1030 S CB -0.493 62.847 63.200 0.233 0.000 0.844 1030 S HN 0.464 nan 8.310 nan 0.000 0.459 1031 F N 2.568 122.622 119.950 0.174 0.000 2.095 1031 F HA -0.089 4.436 4.527 -0.003 0.000 0.298 1031 F C 1.882 177.783 175.800 0.168 0.000 1.104 1031 F CA 2.179 60.292 58.000 0.188 0.000 1.232 1031 F CB -0.803 38.277 39.000 0.134 0.000 0.987 1031 F HN 0.327 nan 8.300 nan 0.000 0.475 1032 N N -0.338 118.587 118.700 0.375 0.000 2.166 1032 N HA -0.194 4.544 4.740 -0.003 0.000 0.186 1032 N C 2.005 177.567 175.510 0.087 0.000 1.019 1032 N CA 0.836 54.018 53.050 0.219 0.000 0.856 1032 N CB -0.218 38.376 38.487 0.178 0.000 0.993 1032 N HN 0.254 nan 8.380 nan 0.000 0.426 1033 R N 0.422 120.980 120.500 0.097 0.000 2.073 1033 R HA -0.121 4.217 4.340 -0.003 0.000 0.234 1033 R C 1.711 178.071 176.300 0.100 0.000 1.134 1033 R CA 1.565 57.732 56.100 0.112 0.000 0.952 1033 R CB -0.105 30.239 30.300 0.073 0.000 0.850 1033 R HN 0.420 nan 8.270 nan 0.000 0.433 1034 H N -0.612 118.484 119.070 0.045 0.000 2.389 1034 H HA -0.109 4.445 4.556 -0.003 0.000 0.299 1034 H C 1.829 177.064 175.328 -0.154 0.000 1.081 1034 H CA 1.322 57.331 56.048 -0.065 0.000 1.345 1034 H CB 0.110 29.795 29.762 -0.129 0.000 1.393 1034 H HN 0.111 nan 8.280 nan 0.000 0.520 1035 L N 0.094 121.263 121.223 -0.090 0.000 2.079 1035 L HA -0.197 4.141 4.340 -0.003 0.000 0.210 1035 L C 2.177 179.004 176.870 -0.071 0.000 1.081 1035 L CA 1.885 56.645 54.840 -0.133 0.000 0.752 1035 L CB -0.515 41.471 42.059 -0.122 0.000 0.896 1035 L HN 0.305 nan 8.230 nan 0.000 0.433 1036 H N -1.497 117.464 119.070 -0.180 0.000 2.260 1036 H HA -0.090 4.464 4.556 -0.003 0.000 0.304 1036 H C 1.821 176.951 175.328 -0.329 0.000 1.059 1036 H CA 2.362 58.217 56.048 -0.321 0.000 1.305 1036 H CB -0.376 29.061 29.762 -0.541 0.000 1.388 1036 H HN 0.280 nan 8.280 nan 0.000 0.496 1037 F N -0.248 119.674 119.950 -0.048 0.000 2.259 1037 F HA -0.039 4.486 4.527 -0.003 0.000 0.298 1037 F C 2.577 178.290 175.800 -0.145 0.000 1.088 1037 F CA 1.439 59.363 58.000 -0.126 0.000 1.358 1037 F CB -0.465 38.505 39.000 -0.050 0.000 1.040 1037 F HN 0.214 nan 8.300 nan 0.000 0.505 1038 T N -0.441 114.130 114.554 0.028 0.000 2.983 1038 T HA 0.090 4.438 4.350 -0.003 0.000 0.250 1038 T C 1.759 176.346 174.700 -0.188 0.000 1.037 1038 T CA 0.599 62.633 62.100 -0.111 0.000 1.142 1038 T CB 0.024 68.760 68.868 -0.220 0.000 0.876 1038 T HN -0.029 nan 8.240 nan 0.000 0.455 1039 L N 1.265 122.386 121.223 -0.170 0.000 2.585 1039 L HA 0.265 4.603 4.340 -0.003 0.000 0.226 1039 L C 0.738 177.519 176.870 -0.148 0.000 1.113 1039 L CA 0.460 55.205 54.840 -0.159 0.000 0.876 1039 L CB -0.678 41.305 42.059 -0.127 0.000 1.072 1039 L HN 0.092 nan 8.230 nan 0.000 0.468 1040 V N 0.025 119.831 119.914 -0.180 0.000 5.767 1040 V HA -0.281 3.837 4.120 -0.003 0.000 0.311 1040 V C 0.428 176.421 176.094 -0.168 0.000 0.532 1040 V CA 1.017 63.188 62.300 -0.215 0.000 0.659 1040 V CB -2.121 29.603 31.823 -0.164 0.000 0.353 1040 V HN 0.396 nan 8.190 nan 0.000 1.082 1041 K N 0.726 121.040 120.400 -0.142 0.000 2.439 1041 K HA 0.790 5.108 4.320 -0.003 0.000 0.260 1041 K C -0.508 176.079 176.600 -0.022 0.000 1.032 1041 K CA -0.298 55.938 56.287 -0.085 0.000 0.882 1041 K CB 2.479 34.920 32.500 -0.098 0.000 1.420 1041 K HN 0.484 nan 8.250 nan 0.000 0.455 1042 D N -1.169 119.236 120.400 0.008 0.000 2.493 1042 D HA 0.347 4.985 4.640 -0.003 0.000 0.239 1042 D C 0.627 176.980 176.300 0.089 0.000 1.049 1042 D CA -0.673 53.362 54.000 0.058 0.000 1.008 1042 D CB 0.930 41.758 40.800 0.046 0.000 1.398 1042 D HN 0.077 nan 8.370 nan 0.000 0.513 1043 R N 0.359 120.942 120.500 0.138 0.000 2.211 1043 R HA -0.125 4.213 4.340 -0.003 0.000 0.240 1043 R C 0.955 177.349 176.300 0.156 0.000 1.144 1043 R CA 1.502 57.725 56.100 0.205 0.000 0.992 1043 R CB -1.194 29.205 30.300 0.165 0.000 0.869 1043 R HN 0.762 nan 8.270 nan 0.000 0.462 1044 N N -1.110 117.641 118.700 0.086 0.000 2.373 1044 N HA -0.034 4.704 4.740 -0.003 0.000 0.181 1044 N C 1.098 176.630 175.510 0.037 0.000 1.082 1044 N CA 0.310 53.397 53.050 0.061 0.000 0.885 1044 N CB 0.125 38.635 38.487 0.039 0.000 0.977 1044 N HN -0.064 nan 8.380 nan 0.000 0.462 1045 V N -0.674 119.251 119.914 0.018 0.000 3.604 1045 V HA 0.416 4.534 4.120 -0.003 0.000 0.277 1045 V C 0.971 177.026 176.094 -0.064 0.000 1.399 1045 V CA -0.022 62.268 62.300 -0.017 0.000 1.034 1045 V CB -0.325 31.484 31.823 -0.023 0.000 0.824 1045 V HN 0.429 nan 8.190 nan 0.000 0.439 1046 A N 1.626 124.387 122.820 -0.098 0.000 2.498 1046 A HA 0.452 4.770 4.320 -0.003 0.000 0.239 1046 A C 0.837 178.197 177.584 -0.373 0.000 1.068 1046 A CA 0.802 52.662 52.037 -0.294 0.000 0.766 1046 A CB -0.027 18.681 19.000 -0.487 0.000 1.003 1046 A HN 0.532 nan 8.150 nan 0.000 0.497 1047 T N -0.918 113.411 114.554 -0.375 0.000 2.897 1047 T HA 0.437 4.785 4.350 -0.003 0.000 0.278 1047 T C 1.186 175.702 174.700 -0.306 0.000 0.981 1047 T CA 0.198 62.153 62.100 -0.242 0.000 0.973 1047 T CB 0.727 69.514 68.868 -0.135 0.000 1.092 1047 T HN 0.489 nan 8.240 nan 0.000 0.543 1048 T N 0.022 114.543 114.554 -0.055 0.000 2.821 1048 T HA -0.062 4.286 4.350 -0.003 0.000 0.267 1048 T C 1.988 176.733 174.700 0.075 0.000 1.046 1048 T CA 1.216 63.385 62.100 0.115 0.000 1.139 1048 T CB -0.316 68.620 68.868 0.113 0.000 0.871 1048 T HN 0.645 nan 8.240 nan 0.000 0.454 1049 R N 1.115 121.601 120.500 -0.023 0.000 2.083 1049 R HA -0.155 4.183 4.340 -0.003 0.000 0.237 1049 R C 1.907 178.208 176.300 0.001 0.000 1.137 1049 R CA 1.893 57.956 56.100 -0.061 0.000 0.951 1049 R CB -0.326 29.916 30.300 -0.098 0.000 0.851 1049 R HN 0.290 nan 8.270 nan 0.000 0.434 1050 D N -0.366 120.031 120.400 -0.006 0.000 2.123 1050 D HA -0.203 4.435 4.640 -0.003 0.000 0.196 1050 D C 1.829 178.146 176.300 0.028 0.000 0.992 1050 D CA 1.392 55.399 54.000 0.011 0.000 0.833 1050 D CB -0.401 40.279 40.800 -0.200 0.000 0.954 1050 D HN 0.309 nan 8.370 nan 0.000 0.455 1051 Y N -0.063 120.316 120.300 0.131 0.000 2.181 1051 Y HA -0.204 4.344 4.550 -0.003 0.000 0.288 1051 Y C 2.331 178.364 175.900 0.222 0.000 1.146 1051 Y CA 0.360 58.596 58.100 0.225 0.000 1.164 1051 Y CB -1.199 37.457 38.460 0.327 0.000 0.982 1051 Y HN 0.100 nan 8.280 nan 0.000 0.515 1052 Y N -0.424 120.003 120.300 0.211 0.000 2.128 1052 Y HA -0.276 4.272 4.550 -0.003 0.000 0.284 1052 Y C 1.974 177.925 175.900 0.085 0.000 1.154 1052 Y CA 1.209 59.363 58.100 0.091 0.000 1.149 1052 Y CB -1.032 37.361 38.460 -0.112 0.000 0.976 1052 Y HN 0.002 nan 8.280 nan 0.000 0.505 1053 F N 0.380 120.184 119.950 -0.244 0.000 2.134 1053 F HA -0.119 4.406 4.527 -0.003 0.000 0.299 1053 F C 2.694 178.362 175.800 -0.220 0.000 1.097 1053 F CA 1.223 59.033 58.000 -0.316 0.000 1.264 1053 F CB -1.396 37.544 39.000 -0.099 0.000 1.001 1053 F HN 0.196 nan 8.300 nan 0.000 0.479 1054 A N -0.207 122.583 122.820 -0.049 0.000 1.902 1054 A HA -0.170 4.148 4.320 -0.003 0.000 0.217 1054 A C 2.160 179.667 177.584 -0.127 0.000 1.181 1054 A CA 1.679 53.546 52.037 -0.284 0.000 0.623 1054 A CB -1.123 17.364 19.000 -0.855 0.000 0.818 1054 A HN 0.343 nan 8.150 nan 0.000 0.443 1055 L N -0.297 120.986 121.223 0.099 0.000 2.056 1055 L HA 0.012 4.350 4.340 -0.003 0.000 0.207 1055 L C 2.629 179.555 176.870 0.093 0.000 1.078 1055 L CA 2.161 57.176 54.840 0.292 0.000 0.749 1055 L CB -0.893 41.387 42.059 0.369 0.000 0.901 1055 L HN 0.328 nan 8.230 nan 0.000 0.433 1056 A N -1.209 121.528 122.820 -0.138 0.000 1.908 1056 A HA -0.279 4.039 4.320 -0.003 0.000 0.218 1056 A C 2.131 179.474 177.584 -0.401 0.000 1.181 1056 A CA 2.037 53.913 52.037 -0.269 0.000 0.627 1056 A CB -1.047 17.534 19.000 -0.698 0.000 0.818 1056 A HN 0.674 nan 8.150 nan 0.000 0.445 1057 H N -0.857 117.952 119.070 -0.436 0.000 2.389 1057 H HA -0.034 4.520 4.556 -0.003 0.000 0.299 1057 H C 2.353 177.485 175.328 -0.326 0.000 1.081 1057 H CA 1.929 57.624 56.048 -0.589 0.000 1.345 1057 H CB -0.275 28.781 29.762 -1.177 0.000 1.393 1057 H HN 0.445 nan 8.280 nan 0.000 0.520 1058 T N -0.245 114.324 114.554 0.025 0.000 2.746 1058 T HA -0.142 4.206 4.350 -0.003 0.000 0.267 1058 T C 2.237 177.143 174.700 0.344 0.000 1.039 1058 T CA 1.426 63.701 62.100 0.291 0.000 1.142 1058 T CB -0.400 68.683 68.868 0.358 0.000 0.866 1058 T HN 0.090 nan 8.240 nan 0.000 0.444 1059 V N 1.161 121.234 119.914 0.266 0.000 2.323 1059 V HA -0.096 4.022 4.120 -0.003 0.000 0.244 1059 V C 2.595 178.891 176.094 0.337 0.000 1.041 1059 V CA 1.519 64.003 62.300 0.307 0.000 1.025 1059 V CB -0.590 31.414 31.823 0.302 0.000 0.656 1059 V HN 0.333 nan 8.190 nan 0.000 0.451 1060 R N 0.208 120.840 120.500 0.219 0.000 2.103 1060 R HA -0.231 4.107 4.340 -0.003 0.000 0.242 1060 R C 2.008 178.397 176.300 0.148 0.000 1.142 1060 R CA 2.132 58.328 56.100 0.160 0.000 0.960 1060 R CB -0.410 29.762 30.300 -0.214 0.000 0.858 1060 R HN 0.513 nan 8.270 nan 0.000 0.439 1061 D N -0.467 120.013 120.400 0.134 0.000 2.182 1061 D HA -0.175 4.463 4.640 -0.003 0.000 0.201 1061 D C 1.603 177.906 176.300 0.005 0.000 0.986 1061 D CA 1.130 55.176 54.000 0.077 0.000 0.847 1061 D CB -0.345 40.495 40.800 0.067 0.000 0.942 1061 D HN 0.490 nan 8.370 nan 0.000 0.467 1062 H N -0.301 118.831 119.070 0.102 0.000 2.524 1062 H HA 0.063 4.617 4.556 -0.003 0.000 0.282 1062 H C 2.131 177.499 175.328 0.066 0.000 1.016 1062 H CA 0.354 56.449 56.048 0.077 0.000 1.270 1062 H CB 0.416 30.219 29.762 0.068 0.000 1.394 1062 H HN 0.208 nan 8.280 nan 0.000 0.568 1063 L N -0.339 120.986 121.223 0.170 0.000 2.209 1063 L HA -0.077 4.261 4.340 -0.003 0.000 0.207 1063 L C 2.521 179.489 176.870 0.162 0.000 1.094 1063 L CA 0.125 55.031 54.840 0.110 0.000 0.790 1063 L CB -0.123 41.964 42.059 0.048 0.000 0.932 1063 L HN -0.001 nan 8.230 nan 0.000 0.447 1064 V N 0.737 120.763 119.914 0.187 0.000 2.220 1064 V HA -0.340 3.778 4.120 -0.003 0.000 0.250 1064 V C 2.658 178.853 176.094 0.167 0.000 1.056 1064 V CA 2.369 64.799 62.300 0.217 0.000 1.016 1064 V CB -1.568 30.337 31.823 0.136 0.000 0.639 1064 V HN 0.585 nan 8.190 nan 0.000 0.446 1065 G N -0.620 108.237 108.800 0.095 0.000 2.529 1065 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.219 1065 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.219 1065 G C 1.738 176.684 174.900 0.076 0.000 1.177 1065 G CA 1.217 46.355 45.100 0.063 0.000 0.773 1065 G HN 0.468 nan 8.290 nan 0.000 0.573 1066 R N -1.596 118.956 120.500 0.088 0.000 2.148 1066 R HA -0.030 4.308 4.340 -0.003 0.000 0.223 1066 R C 2.216 178.604 176.300 0.147 0.000 1.088 1066 R CA 0.805 56.950 56.100 0.075 0.000 0.985 1066 R CB -0.263 30.061 30.300 0.040 0.000 0.880 1066 R HN 0.516 nan 8.270 nan 0.000 0.451 1067 W N 1.331 122.616 121.300 -0.026 0.000 2.379 1067 W HA -0.043 4.615 4.660 -0.003 0.000 0.307 1067 W C 1.561 178.057 176.519 -0.039 0.000 1.200 1067 W CA 0.863 58.191 57.345 -0.029 0.000 1.297 1067 W CB -0.537 28.922 29.460 -0.001 0.000 1.140 1067 W HN -0.053 nan 8.180 nan 0.000 0.507 1068 I N 0.257 120.900 120.570 0.121 0.000 2.179 1068 I HA -0.332 3.836 4.170 -0.003 0.000 0.242 1068 I C 2.592 178.698 176.117 -0.018 0.000 1.088 1068 I CA 1.549 62.833 61.300 -0.027 0.000 1.357 1068 I CB -0.619 37.370 38.000 -0.019 0.000 1.051 1068 I HN -0.118 nan 8.210 nan 0.000 0.409 1069 R N 0.012 120.517 120.500 0.008 0.000 2.092 1069 R HA -0.110 4.228 4.340 -0.003 0.000 0.231 1069 R C 2.334 178.605 176.300 -0.048 0.000 1.119 1069 R CA 1.803 57.898 56.100 -0.009 0.000 0.970 1069 R CB -0.517 29.779 30.300 -0.007 0.000 0.864 1069 R HN 0.362 nan 8.270 nan 0.000 0.440 1070 T N 1.060 115.564 114.554 -0.083 0.000 2.674 1070 T HA -0.138 4.210 4.350 -0.003 0.000 0.265 1070 T C 1.786 176.196 174.700 -0.484 0.000 1.039 1070 T CA 1.055 62.990 62.100 -0.276 0.000 1.150 1070 T CB -0.099 68.660 68.868 -0.181 0.000 0.864 1070 T HN 0.178 nan 8.240 nan 0.000 0.427 1071 Q N 0.777 120.450 119.800 -0.212 0.000 2.170 1071 Q HA -0.093 4.245 4.340 -0.003 0.000 0.203 1071 Q C 2.338 178.347 176.000 0.014 0.000 0.976 1071 Q CA 1.281 57.039 55.803 -0.076 0.000 0.858 1071 Q CB -0.503 28.227 28.738 -0.012 0.000 0.907 1071 Q HN 0.504 nan 8.270 nan 0.000 0.433 1072 Q N 0.161 119.960 119.800 -0.001 0.000 2.079 1072 Q HA -0.185 4.153 4.340 -0.003 0.000 0.200 1072 Q C 1.914 177.997 176.000 0.138 0.000 0.974 1072 Q CA 1.957 57.805 55.803 0.074 0.000 0.840 1072 Q CB -0.390 28.372 28.738 0.040 0.000 0.898 1072 Q HN 0.565 nan 8.270 nan 0.000 0.430 1073 H N -0.926 118.119 119.070 -0.040 0.000 2.352 1073 H HA -0.172 4.382 4.556 -0.003 0.000 0.299 1073 H C 1.144 176.548 175.328 0.126 0.000 1.097 1073 H CA 2.213 58.254 56.048 -0.012 0.000 1.311 1073 H CB -0.335 29.353 29.762 -0.124 0.000 1.377 1073 H HN 0.353 nan 8.280 nan 0.000 0.504 1074 Y N -0.933 119.388 120.300 0.036 0.000 2.274 1074 Y HA -0.192 4.356 4.550 -0.003 0.000 0.290 1074 Y C 2.439 178.351 175.900 0.019 0.000 1.145 1074 Y CA 1.080 59.176 58.100 -0.007 0.000 1.203 1074 Y CB -1.340 37.203 38.460 0.138 0.000 0.984 1074 Y HN 0.384 nan 8.280 nan 0.000 0.533 1075 Y N 1.096 121.475 120.300 0.132 0.000 2.184 1075 Y HA -0.175 4.373 4.550 -0.003 0.000 0.290 1075 Y C 1.944 177.859 175.900 0.023 0.000 1.129 1075 Y CA 1.773 59.922 58.100 0.081 0.000 1.144 1075 Y CB -0.339 38.164 38.460 0.071 0.000 0.995 1075 Y HN 0.006 nan 8.280 nan 0.000 0.513 1076 D N 0.136 120.555 120.400 0.032 0.000 2.084 1076 D HA -0.154 4.484 4.640 -0.003 0.000 0.194 1076 D C 1.852 178.065 176.300 -0.145 0.000 0.990 1076 D CA 1.424 55.386 54.000 -0.064 0.000 0.826 1076 D CB -0.142 40.686 40.800 0.046 0.000 0.971 1076 D HN 0.268 nan 8.370 nan 0.000 0.453 1077 K N -0.133 120.151 120.400 -0.194 0.000 2.365 1077 K HA 0.054 4.372 4.320 -0.003 0.000 0.197 1077 K C 0.501 177.026 176.600 -0.125 0.000 1.042 1077 K CA -0.053 56.128 56.287 -0.177 0.000 0.987 1077 K CB -0.192 32.130 32.500 -0.295 0.000 0.779 1077 K HN 0.090 nan 8.250 nan 0.000 0.484 1078 C N 2.254 121.483 119.300 -0.119 0.000 3.899 1078 C HA -0.095 4.363 4.460 -0.003 0.000 0.297 1078 C C -1.932 173.026 174.990 -0.053 0.000 1.371 1078 C CA -0.957 58.014 59.018 -0.079 0.000 2.088 1078 C CB -1.809 25.872 27.740 -0.099 0.000 1.346 1078 C HN 0.351 nan 8.230 nan 0.000 0.658 1079 P HA 0.200 nan 4.420 nan 0.000 0.274 1079 P C -0.329 176.926 177.300 -0.075 0.000 1.246 1079 P CA -0.014 63.055 63.100 -0.051 0.000 0.795 1079 P CB 0.583 32.257 31.700 -0.044 0.000 1.006 1080 K N 1.896 122.255 120.400 -0.068 0.000 2.451 1080 K HA 0.042 4.360 4.320 -0.003 0.000 0.280 1080 K C 0.156 176.666 176.600 -0.149 0.000 1.020 1080 K CA 0.023 56.258 56.287 -0.086 0.000 1.008 1080 K CB 0.282 32.747 32.500 -0.057 0.000 0.917 1080 K HN 0.344 nan 8.250 nan 0.000 0.478 1081 R N 2.123 122.514 120.500 -0.183 0.000 2.536 1081 R HA 0.363 4.701 4.340 -0.003 0.000 0.279 1081 R C -0.839 175.198 176.300 -0.437 0.000 1.001 1081 R CA -0.917 54.994 56.100 -0.315 0.000 1.027 1081 R CB 1.612 31.709 30.300 -0.338 0.000 1.096 1081 R HN 0.278 nan 8.270 nan 0.000 0.502 1082 V N 3.183 122.764 119.914 -0.556 0.000 2.448 1082 V HA 0.289 4.407 4.120 -0.003 0.000 0.295 1082 V C -1.188 174.576 176.094 -0.551 0.000 1.025 1082 V CA -0.739 61.175 62.300 -0.645 0.000 0.859 1082 V CB 1.140 32.373 31.823 -0.983 0.000 0.988 1082 V HN 0.595 nan 8.190 nan 0.000 0.431 1083 Y N 3.900 124.137 120.300 -0.104 0.000 2.402 1083 Y HA 0.417 4.965 4.550 -0.003 0.000 0.332 1083 Y C -0.414 175.586 175.900 0.167 0.000 0.960 1083 Y CA -0.788 57.378 58.100 0.110 0.000 1.228 1083 Y CB 1.156 39.613 38.460 -0.005 0.000 1.120 1083 Y HN 0.638 nan 8.280 nan 0.000 0.491 1084 Y N 4.924 125.405 120.300 0.301 0.000 2.535 1084 Y HA 0.356 4.904 4.550 -0.003 0.000 0.349 1084 Y C -0.780 175.405 175.900 0.474 0.000 0.992 1084 Y CA -0.977 57.323 58.100 0.333 0.000 1.248 1084 Y CB 0.300 38.960 38.460 0.332 0.000 1.124 1084 Y HN 0.558 nan 8.280 nan 0.000 0.520 1085 L N 5.546 126.873 121.223 0.174 0.000 2.260 1085 L HA 0.507 4.845 4.340 -0.003 0.000 0.289 1085 L C -0.477 176.461 176.870 0.114 0.000 1.057 1085 L CA 0.266 55.254 54.840 0.247 0.000 0.811 1085 L CB 0.581 42.743 42.059 0.172 0.000 1.184 1085 L HN 0.526 nan 8.230 nan 0.000 0.429 1086 S N 4.390 120.247 115.700 0.263 0.000 2.556 1086 S HA 0.459 4.927 4.470 -0.003 0.000 0.271 1086 S C 0.284 175.045 174.600 0.268 0.000 1.135 1086 S CA -0.775 57.492 58.200 0.113 0.000 0.858 1086 S CB 1.102 64.181 63.200 -0.202 0.000 1.114 1086 S HN 0.584 nan 8.310 nan 0.000 0.468 1087 L N 2.215 123.603 121.223 0.275 0.000 2.554 1087 L HA 0.373 4.711 4.340 -0.003 0.000 0.226 1087 L C 0.190 177.312 176.870 0.421 0.000 1.137 1087 L CA 1.166 56.236 54.840 0.383 0.000 0.863 1087 L CB -1.005 41.300 42.059 0.410 0.000 0.985 1087 L HN 0.712 nan 8.230 nan 0.000 0.451 1088 E N -1.047 119.291 120.200 0.230 0.000 2.331 1088 E HA 0.420 4.768 4.350 -0.003 0.000 0.275 1088 E C -1.553 174.993 176.600 -0.091 0.000 0.895 1088 E CA -0.462 56.052 56.400 0.190 0.000 0.753 1088 E CB 2.170 31.941 29.700 0.119 0.000 1.216 1088 E HN -0.178 nan 8.360 nan 0.000 0.434 1089 F N 1.874 121.938 119.950 0.190 0.000 2.828 1089 F HA 0.174 4.699 4.527 -0.003 0.000 0.355 1089 F C -0.972 174.920 175.800 0.153 0.000 1.200 1089 F CA -0.726 57.374 58.000 0.166 0.000 1.062 1089 F CB 1.024 40.115 39.000 0.153 0.000 1.351 1089 F HN 0.483 nan 8.300 nan 0.000 0.504 1090 Y N 5.294 125.666 120.300 0.121 0.000 2.724 1090 Y HA 0.218 4.766 4.550 -0.003 0.000 0.332 1090 Y C 1.063 176.988 175.900 0.040 0.000 1.276 1090 Y CA -1.030 57.097 58.100 0.044 0.000 1.597 1090 Y CB 0.290 38.755 38.460 0.008 0.000 1.584 1090 Y HN 0.532 nan 8.280 nan 0.000 0.478 1091 M N 1.192 120.946 119.600 0.257 0.000 2.254 1091 M HA 0.086 4.564 4.480 -0.003 0.000 0.265 1091 M C 1.568 177.868 176.300 -0.000 0.000 1.066 1091 M CA 1.106 56.465 55.300 0.100 0.000 1.123 1091 M CB -1.328 31.309 32.600 0.061 0.000 1.388 1091 M HN 0.664 nan 8.290 nan 0.000 0.425 1092 G N 1.059 109.877 108.800 0.031 0.000 2.598 1092 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.244 1092 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.244 1092 G C -0.288 174.578 174.900 -0.057 0.000 1.302 1092 G CA -0.311 44.756 45.100 -0.055 0.000 0.903 1092 G HN 0.440 nan 8.290 nan 0.000 0.575 1093 R N -0.842 119.601 120.500 -0.095 0.000 2.560 1093 R HA 0.582 4.920 4.340 -0.003 0.000 0.270 1093 R C 1.172 177.357 176.300 -0.192 0.000 1.074 1093 R CA 0.276 56.326 56.100 -0.083 0.000 1.140 1093 R CB 0.748 31.009 30.300 -0.066 0.000 1.073 1093 R HN 0.536 nan 8.270 nan 0.000 0.527 1094 T N 1.002 115.374 114.554 -0.303 0.000 3.018 1094 T HA 0.069 4.417 4.350 -0.003 0.000 0.246 1094 T C 1.683 175.966 174.700 -0.696 0.000 1.026 1094 T CA -0.214 61.501 62.100 -0.642 0.000 1.081 1094 T CB 0.130 68.271 68.868 -1.213 0.000 0.970 1094 T HN 0.376 nan 8.240 nan 0.000 0.475 1095 L N 1.427 122.417 121.223 -0.389 0.000 1.951 1095 L HA -0.293 4.045 4.340 -0.003 0.000 0.222 1095 L C 2.737 179.554 176.870 -0.088 0.000 1.078 1095 L CA 2.181 56.984 54.840 -0.060 0.000 0.778 1095 L CB -0.417 41.848 42.059 0.344 0.000 0.893 1095 L HN 0.330 nan 8.230 nan 0.000 0.436 1096 Q N -0.298 119.467 119.800 -0.058 0.000 2.096 1096 Q HA -0.278 4.060 4.340 -0.003 0.000 0.204 1096 Q C 2.007 177.938 176.000 -0.115 0.000 0.982 1096 Q CA 2.177 57.941 55.803 -0.065 0.000 0.850 1096 Q CB -0.230 28.470 28.738 -0.064 0.000 0.901 1096 Q HN 0.519 nan 8.270 nan 0.000 0.422 1097 N N -1.204 117.388 118.700 -0.180 0.000 2.166 1097 N HA -0.137 4.601 4.740 -0.003 0.000 0.186 1097 N C 1.261 176.670 175.510 -0.167 0.000 1.019 1097 N CA 1.736 54.675 53.050 -0.186 0.000 0.856 1097 N CB 0.055 38.401 38.487 -0.235 0.000 0.993 1097 N HN 0.272 nan 8.380 nan 0.000 0.426 1098 T N 1.318 115.735 114.554 -0.228 0.000 2.770 1098 T HA -0.026 4.322 4.350 -0.003 0.000 0.263 1098 T C 2.107 176.747 174.700 -0.099 0.000 1.039 1098 T CA 1.024 63.007 62.100 -0.194 0.000 1.142 1098 T CB -0.077 68.620 68.868 -0.284 0.000 0.868 1098 T HN 0.235 nan 8.240 nan 0.000 0.435 1099 M N 0.433 119.990 119.600 -0.072 0.000 2.080 1099 M HA -0.061 4.417 4.480 -0.003 0.000 0.260 1099 M C 2.296 178.567 176.300 -0.049 0.000 1.068 1099 M CA 1.739 57.011 55.300 -0.047 0.000 1.109 1099 M CB -0.687 31.901 32.600 -0.019 0.000 1.342 1099 M HN 0.210 nan 8.290 nan 0.000 0.405 1100 I N 0.398 120.947 120.570 -0.035 0.000 2.142 1100 I HA -0.313 3.854 4.170 -0.003 0.000 0.240 1100 I C 1.903 178.039 176.117 0.032 0.000 1.078 1100 I CA 1.307 62.613 61.300 0.011 0.000 1.343 1100 I CB -0.599 37.415 38.000 0.023 0.000 1.046 1100 I HN 0.335 nan 8.210 nan 0.000 0.405 1101 N N 0.557 119.271 118.700 0.024 0.000 2.309 1101 N HA -0.108 4.630 4.740 -0.003 0.000 0.182 1101 N C 1.388 176.806 175.510 -0.153 0.000 1.018 1101 N CA 1.037 54.084 53.050 -0.004 0.000 0.876 1101 N CB -0.198 38.305 38.487 0.026 0.000 0.972 1101 N HN 0.186 nan 8.380 nan 0.000 0.434 1102 L N -0.602 120.554 121.223 -0.112 0.000 2.591 1102 L HA 0.279 4.617 4.340 -0.003 0.000 0.228 1102 L C 1.204 177.998 176.870 -0.128 0.000 1.133 1102 L CA 0.231 55.005 54.840 -0.110 0.000 0.880 1102 L CB -0.565 41.455 42.059 -0.065 0.000 1.033 1102 L HN 0.211 nan 8.230 nan 0.000 0.450 1103 G N -0.236 108.481 108.800 -0.140 0.000 2.221 1103 G HA2 -0.295 3.663 3.960 -0.003 0.000 0.265 1103 G HA3 -0.295 3.663 3.960 -0.003 0.000 0.265 1103 G C 0.777 175.621 174.900 -0.092 0.000 1.041 1103 G CA 0.606 45.633 45.100 -0.121 0.000 0.807 1103 G HN 0.390 nan 8.290 nan 0.000 0.502 1104 L N -0.892 120.274 121.223 -0.094 0.000 2.664 1104 L HA 0.237 4.575 4.340 -0.003 0.000 0.233 1104 L C 2.499 179.328 176.870 -0.067 0.000 1.113 1104 L CA 0.711 55.488 54.840 -0.106 0.000 0.896 1104 L CB 0.129 42.078 42.059 -0.184 0.000 1.163 1104 L HN 0.428 nan 8.230 nan 0.000 0.497 1105 Q N 1.030 120.803 119.800 -0.045 0.000 2.112 1105 Q HA -0.282 4.056 4.340 -0.003 0.000 0.206 1105 Q C 1.851 177.838 176.000 -0.021 0.000 0.987 1105 Q CA 2.319 58.108 55.803 -0.025 0.000 0.858 1105 Q CB -0.014 28.714 28.738 -0.017 0.000 0.905 1105 Q HN 0.569 nan 8.270 nan 0.000 0.420 1106 N N -1.111 117.575 118.700 -0.024 0.000 2.106 1106 N HA -0.174 4.564 4.740 -0.003 0.000 0.188 1106 N C 1.765 177.264 175.510 -0.019 0.000 1.029 1106 N CA 0.928 53.965 53.050 -0.023 0.000 0.848 1106 N CB -0.128 38.345 38.487 -0.023 0.000 1.007 1106 N HN 0.323 nan 8.380 nan 0.000 0.423 1107 A N 0.462 123.268 122.820 -0.023 0.000 1.908 1107 A HA -0.171 4.147 4.320 -0.003 0.000 0.218 1107 A C 2.583 180.163 177.584 -0.008 0.000 1.181 1107 A CA 1.321 53.349 52.037 -0.016 0.000 0.627 1107 A CB -0.985 17.998 19.000 -0.027 0.000 0.818 1107 A HN 0.592 nan 8.150 nan 0.000 0.445 1108 C N -0.963 118.329 119.300 -0.014 0.000 2.466 1108 C HA -0.040 4.418 4.460 -0.003 0.000 0.278 1108 C C 2.395 177.390 174.990 0.008 0.000 1.288 1108 C CA 0.908 59.929 59.018 0.005 0.000 1.722 1108 C CB -1.157 26.593 27.740 0.016 0.000 2.017 1108 C HN 0.614 nan 8.230 nan 0.000 0.488 1109 D N 0.790 121.193 120.400 0.005 0.000 2.116 1109 D HA -0.127 4.511 4.640 -0.003 0.000 0.193 1109 D C 2.174 178.488 176.300 0.024 0.000 0.998 1109 D CA 1.311 55.316 54.000 0.008 0.000 0.836 1109 D CB -0.353 40.441 40.800 -0.011 0.000 0.951 1109 D HN 0.463 nan 8.370 nan 0.000 0.449 1110 E N 0.431 120.643 120.200 0.020 0.000 2.051 1110 E HA -0.111 4.237 4.350 -0.003 0.000 0.192 1110 E C 2.136 178.779 176.600 0.073 0.000 0.991 1110 E CA 1.011 57.447 56.400 0.059 0.000 0.799 1110 E CB -0.604 29.117 29.700 0.035 0.000 0.748 1110 E HN 0.244 nan 8.360 nan 0.000 0.449 1111 A N 1.745 124.574 122.820 0.014 0.000 1.892 1111 A HA -0.201 4.117 4.320 -0.003 0.000 0.218 1111 A C 2.231 179.741 177.584 -0.123 0.000 1.188 1111 A CA 1.539 53.553 52.037 -0.037 0.000 0.631 1111 A CB -0.601 18.383 19.000 -0.027 0.000 0.822 1111 A HN 0.165 nan 8.150 nan 0.000 0.447 1112 I N -1.584 118.910 120.570 -0.127 0.000 2.226 1112 I HA -0.221 3.947 4.170 -0.003 0.000 0.245 1112 I C 2.409 178.450 176.117 -0.127 0.000 1.100 1112 I CA 1.639 62.811 61.300 -0.213 0.000 1.374 1112 I CB -1.525 36.404 38.000 -0.118 0.000 1.057 1112 I HN 0.596 nan 8.210 nan 0.000 0.413 1113 Y N 2.287 122.508 120.300 -0.131 0.000 2.145 1113 Y HA -0.241 4.308 4.550 -0.003 0.000 0.286 1113 Y C 2.658 178.498 175.900 -0.102 0.000 1.145 1113 Y CA 1.742 59.782 58.100 -0.098 0.000 1.148 1113 Y CB -0.480 37.941 38.460 -0.064 0.000 0.981 1113 Y HN 0.221 nan 8.280 nan 0.000 0.507 1114 Q N -0.069 119.621 119.800 -0.183 0.000 2.364 1114 Q HA -0.107 4.231 4.340 -0.003 0.000 0.209 1114 Q C 1.790 177.634 176.000 -0.261 0.000 0.977 1114 Q CA 1.254 56.900 55.803 -0.261 0.000 0.885 1114 Q CB -0.123 28.569 28.738 -0.078 0.000 0.941 1114 Q HN 0.530 nan 8.270 nan 0.000 0.464 1115 L N -0.774 120.290 121.223 -0.265 0.000 2.591 1115 L HA 0.162 4.500 4.340 -0.003 0.000 0.228 1115 L C 1.040 177.745 176.870 -0.275 0.000 1.133 1115 L CA 0.231 54.909 54.840 -0.271 0.000 0.880 1115 L CB -0.015 41.803 42.059 -0.402 0.000 1.033 1115 L HN 0.306 nan 8.230 nan 0.000 0.450 1116 G N 0.805 109.424 108.800 -0.302 0.000 2.176 1116 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.252 1116 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.252 1116 G C -0.019 174.752 174.900 -0.213 0.000 1.024 1116 G CA 0.035 44.981 45.100 -0.255 0.000 0.755 1116 G HN 0.254 nan 8.290 nan 0.000 0.507 1117 L N -0.156 120.928 121.223 -0.232 0.000 2.330 1117 L HA 0.540 4.878 4.340 -0.003 0.000 0.271 1117 L C -0.194 176.629 176.870 -0.079 0.000 1.013 1117 L CA -1.137 53.581 54.840 -0.204 0.000 0.816 1117 L CB 1.607 43.464 42.059 -0.337 0.000 1.287 1117 L HN 0.092 nan 8.230 nan 0.000 0.435 1118 D N 1.909 122.293 120.400 -0.027 0.000 2.411 1118 D HA 0.061 4.699 4.640 -0.003 0.000 0.225 1118 D C 0.770 177.095 176.300 0.042 0.000 1.156 1118 D CA -0.292 53.725 54.000 0.028 0.000 0.874 1118 D CB 1.170 41.994 40.800 0.041 0.000 1.034 1118 D HN 0.440 nan 8.370 nan 0.000 0.502 1119 I N 4.252 124.848 120.570 0.045 0.000 2.248 1119 I HA -0.240 3.928 4.170 -0.003 0.000 0.248 1119 I C 1.887 178.048 176.117 0.072 0.000 1.107 1119 I CA 1.771 63.105 61.300 0.057 0.000 1.373 1119 I CB -0.115 37.912 38.000 0.046 0.000 1.055 1119 I HN 0.543 nan 8.210 nan 0.000 0.418 1120 E N 0.595 120.831 120.200 0.060 0.000 2.031 1120 E HA -0.315 4.033 4.350 -0.003 0.000 0.193 1120 E C 2.263 178.904 176.600 0.068 0.000 0.994 1120 E CA 1.845 58.281 56.400 0.059 0.000 0.800 1120 E CB -0.474 29.258 29.700 0.053 0.000 0.752 1120 E HN 0.656 nan 8.360 nan 0.000 0.447 1121 E N 0.067 120.310 120.200 0.072 0.000 2.118 1121 E HA -0.212 4.136 4.350 -0.003 0.000 0.195 1121 E C 2.091 178.747 176.600 0.094 0.000 0.992 1121 E CA 1.273 57.720 56.400 0.077 0.000 0.804 1121 E CB -0.120 29.627 29.700 0.080 0.000 0.741 1121 E HN 0.377 nan 8.360 nan 0.000 0.458 1122 L N 0.389 121.690 121.223 0.130 0.000 2.005 1122 L HA -0.167 4.171 4.340 -0.003 0.000 0.207 1122 L C 2.510 179.483 176.870 0.172 0.000 1.072 1122 L CA 1.603 56.564 54.840 0.202 0.000 0.744 1122 L CB -0.628 41.589 42.059 0.263 0.000 0.895 1122 L HN 0.179 nan 8.230 nan 0.000 0.433 1123 E N -0.068 120.219 120.200 0.145 0.000 2.118 1123 E HA -0.219 4.129 4.350 -0.003 0.000 0.195 1123 E C 2.050 178.646 176.600 -0.008 0.000 0.992 1123 E CA 0.958 57.419 56.400 0.102 0.000 0.804 1123 E CB 0.025 29.775 29.700 0.083 0.000 0.741 1123 E HN 0.348 nan 8.360 nan 0.000 0.458 1124 E N 0.396 120.597 120.200 0.002 0.000 2.338 1124 E HA -0.145 4.203 4.350 -0.003 0.000 0.197 1124 E C 1.928 178.480 176.600 -0.079 0.000 1.007 1124 E CA 0.410 56.801 56.400 -0.014 0.000 0.849 1124 E CB 0.006 29.725 29.700 0.031 0.000 0.774 1124 E HN 0.309 nan 8.360 nan 0.000 0.506 1125 I N 1.099 121.576 120.570 -0.155 0.000 2.226 1125 I HA -0.178 3.990 4.170 -0.003 0.000 0.245 1125 I C 1.337 177.198 176.117 -0.428 0.000 1.100 1125 I CA 0.610 61.745 61.300 -0.274 0.000 1.374 1125 I CB -0.786 37.014 38.000 -0.333 0.000 1.057 1125 I HN 0.147 nan 8.210 nan 0.000 0.413 1126 E N 2.516 122.335 120.200 -0.635 0.000 2.465 1126 E HA -0.085 4.263 4.350 -0.003 0.000 0.260 1126 E C -0.055 176.482 176.600 -0.104 0.000 0.980 1126 E CA -0.094 56.021 56.400 -0.474 0.000 0.927 1126 E CB 0.585 30.110 29.700 -0.292 0.000 0.934 1126 E HN 0.131 nan 8.360 nan 0.000 0.459 1127 E N 3.452 123.672 120.200 0.033 0.000 2.366 1127 E HA 0.056 4.404 4.350 -0.003 0.000 0.266 1127 E C -0.642 176.053 176.600 0.159 0.000 1.051 1127 E CA -0.180 56.305 56.400 0.143 0.000 0.884 1127 E CB 0.661 30.526 29.700 0.274 0.000 1.006 1127 E HN 0.470 nan 8.360 nan 0.000 0.417 1128 D N 0.564 121.029 120.400 0.109 0.000 2.362 1128 D HA 0.218 4.856 4.640 -0.003 0.000 0.242 1128 D C -0.430 175.890 176.300 0.035 0.000 1.132 1128 D CA -0.054 53.985 54.000 0.065 0.000 0.907 1128 D CB 0.777 41.608 40.800 0.052 0.000 1.195 1128 D HN 0.382 nan 8.370 nan 0.000 0.429 1129 A N 1.588 124.386 122.820 -0.038 0.000 2.621 1129 A HA 0.503 4.821 4.320 -0.003 0.000 0.329 1129 A C 0.841 178.258 177.584 -0.279 0.000 1.458 1129 A CA -0.509 51.308 52.037 -0.366 0.000 1.052 1129 A CB -0.174 18.703 19.000 -0.205 0.000 1.142 1129 A HN 0.466 nan 8.150 nan 0.000 0.523 1130 G N 1.966 110.542 108.800 -0.373 0.000 3.717 1130 G HA2 0.421 4.379 3.960 -0.003 0.000 0.258 1130 G HA3 0.421 4.379 3.960 -0.003 0.000 0.258 1130 G C 0.264 174.862 174.900 -0.503 0.000 1.088 1130 G CA -0.286 44.612 45.100 -0.337 0.000 1.737 1130 G HN 0.688 nan 8.290 nan 0.000 0.648 1131 L N 1.430 122.447 121.223 -0.343 0.000 2.939 1131 L HA 0.408 4.746 4.340 -0.003 0.000 0.239 1131 L C 1.003 177.825 176.870 -0.080 0.000 1.325 1131 L CA -0.264 54.514 54.840 -0.105 0.000 1.170 1131 L CB -0.341 41.786 42.059 0.115 0.000 1.538 1131 L HN 0.312 nan 8.230 nan 0.000 0.452 1132 G N -1.224 107.308 108.800 -0.448 0.000 2.677 1132 G HA2 0.199 4.157 3.960 -0.003 0.000 0.291 1132 G HA3 0.199 4.157 3.960 -0.003 0.000 0.291 1132 G C -0.180 174.380 174.900 -0.566 0.000 1.435 1132 G CA -0.464 44.405 45.100 -0.385 0.000 0.826 1132 G HN -0.066 nan 8.290 nan 0.000 0.491 1133 N N -0.727 117.855 118.700 -0.196 0.000 2.368 1133 N HA 0.196 4.934 4.740 -0.003 0.000 0.178 1133 N C 1.193 176.753 175.510 0.083 0.000 1.021 1133 N CA 1.377 54.379 53.050 -0.079 0.000 0.875 1133 N CB 1.062 39.577 38.487 0.045 0.000 1.020 1133 N HN 0.821 nan 8.380 nan 0.000 0.433 1134 G N -0.777 108.137 108.800 0.189 0.000 2.947 1134 G HA2 0.195 4.153 3.960 -0.003 0.000 0.115 1134 G HA3 0.195 4.153 3.960 -0.003 0.000 0.115 1134 G C 0.743 175.747 174.900 0.173 0.000 1.214 1134 G CA 0.247 45.496 45.100 0.248 0.000 1.324 1134 G HN 0.165 nan 8.290 nan 0.000 0.645 1135 G N 0.260 109.112 108.800 0.087 0.000 2.476 1135 G HA2 -0.055 3.903 3.960 -0.003 0.000 0.218 1135 G HA3 -0.055 3.903 3.960 -0.003 0.000 0.218 1135 G C 1.839 176.729 174.900 -0.017 0.000 1.164 1135 G CA 1.867 46.978 45.100 0.019 0.000 0.768 1135 G HN 0.697 nan 8.290 nan 0.000 0.560 1136 L N 1.678 122.884 121.223 -0.029 0.000 2.012 1136 L HA 0.096 4.434 4.340 -0.003 0.000 0.210 1136 L C 2.799 179.599 176.870 -0.117 0.000 1.073 1136 L CA 2.549 57.292 54.840 -0.162 0.000 0.748 1136 L CB -1.189 40.769 42.059 -0.169 0.000 0.891 1136 L HN 0.178 nan 8.230 nan 0.000 0.431 1137 G N -1.354 107.444 108.800 -0.003 0.000 2.408 1137 G HA2 -0.296 3.662 3.960 -0.003 0.000 0.217 1137 G HA3 -0.296 3.662 3.960 -0.003 0.000 0.217 1137 G C 1.743 176.689 174.900 0.077 0.000 1.150 1137 G CA 0.723 45.843 45.100 0.033 0.000 0.776 1137 G HN 0.348 nan 8.290 nan 0.000 0.542 1138 R N 0.060 120.623 120.500 0.104 0.000 2.115 1138 R HA 0.100 4.438 4.340 -0.003 0.000 0.230 1138 R C 2.290 178.557 176.300 -0.056 0.000 1.111 1138 R CA 0.834 56.963 56.100 0.049 0.000 0.976 1138 R CB -0.838 29.447 30.300 -0.025 0.000 0.870 1138 R HN 0.342 nan 8.270 nan 0.000 0.445 1139 L N 0.068 121.189 121.223 -0.169 0.000 2.046 1139 L HA 0.040 4.378 4.340 -0.003 0.000 0.208 1139 L C 2.049 178.553 176.870 -0.610 0.000 1.077 1139 L CA 2.125 56.712 54.840 -0.421 0.000 0.747 1139 L CB -0.828 40.968 42.059 -0.437 0.000 0.896 1139 L HN 0.232 nan 8.230 nan 0.000 0.432 1140 A N -0.525 122.082 122.820 -0.354 0.000 1.902 1140 A HA -0.112 4.206 4.320 -0.003 0.000 0.217 1140 A C 2.445 180.008 177.584 -0.035 0.000 1.181 1140 A CA 1.771 53.634 52.037 -0.289 0.000 0.623 1140 A CB -1.121 17.663 19.000 -0.359 0.000 0.818 1140 A HN 0.568 nan 8.150 nan 0.000 0.443 1141 A N -1.062 121.795 122.820 0.061 0.000 1.873 1141 A HA -0.159 4.159 4.320 -0.003 0.000 0.215 1141 A C 2.306 179.956 177.584 0.110 0.000 1.186 1141 A CA 1.655 53.789 52.037 0.163 0.000 0.616 1141 A CB -1.252 17.841 19.000 0.155 0.000 0.823 1141 A HN 0.590 nan 8.150 nan 0.000 0.442 1142 C N -1.436 117.910 119.300 0.077 0.000 2.440 1142 C HA -0.037 4.421 4.460 -0.003 0.000 0.278 1142 C C 2.428 177.563 174.990 0.241 0.000 1.295 1142 C CA 0.489 59.595 59.018 0.146 0.000 1.738 1142 C CB -1.585 26.249 27.740 0.156 0.000 1.987 1142 C HN 0.603 nan 8.230 nan 0.000 0.492 1143 F N 1.197 121.117 119.950 -0.050 0.000 2.134 1143 F HA -0.070 4.455 4.527 -0.004 0.000 0.299 1143 F C 2.251 178.001 175.800 -0.085 0.000 1.097 1143 F CA 0.986 58.911 58.000 -0.125 0.000 1.264 1143 F CB -1.436 37.335 39.000 -0.383 0.000 1.001 1143 F HN 0.193 nan 8.300 nan 0.000 0.479 1144 L N -0.312 121.003 121.223 0.153 0.000 2.012 1144 L HA -0.270 4.068 4.340 -0.003 0.000 0.210 1144 L C 2.173 179.075 176.870 0.053 0.000 1.073 1144 L CA 2.050 56.945 54.840 0.092 0.000 0.748 1144 L CB -0.788 41.343 42.059 0.120 0.000 0.891 1144 L HN 0.109 nan 8.230 nan 0.000 0.431 1145 D N -0.604 119.834 120.400 0.063 0.000 2.097 1145 D HA -0.169 4.469 4.640 -0.003 0.000 0.195 1145 D C 2.214 178.542 176.300 0.048 0.000 0.989 1145 D CA 1.458 55.479 54.000 0.035 0.000 0.827 1145 D CB 0.211 41.026 40.800 0.026 0.000 0.966 1145 D HN 0.090 nan 8.370 nan 0.000 0.456 1146 S N -0.672 115.074 115.700 0.076 0.000 2.356 1146 S HA -0.126 4.342 4.470 -0.003 0.000 0.223 1146 S C 2.011 176.637 174.600 0.043 0.000 1.032 1146 S CA 1.001 59.239 58.200 0.064 0.000 1.005 1146 S CB -0.237 63.010 63.200 0.079 0.000 0.867 1146 S HN 0.346 nan 8.310 nan 0.000 0.449 1147 M N 0.960 120.578 119.600 0.030 0.000 2.159 1147 M HA -0.099 4.379 4.480 -0.003 0.000 0.263 1147 M C 2.410 178.716 176.300 0.010 0.000 1.063 1147 M CA 1.377 56.685 55.300 0.013 0.000 1.110 1147 M CB -0.520 32.062 32.600 -0.031 0.000 1.374 1147 M HN 0.393 nan 8.290 nan 0.000 0.411 1148 A N -0.264 122.562 122.820 0.010 0.000 1.929 1148 A HA -0.099 4.219 4.320 -0.003 0.000 0.216 1148 A C 2.172 179.775 177.584 0.032 0.000 1.176 1148 A CA 1.875 53.920 52.037 0.013 0.000 0.628 1148 A CB -0.954 18.039 19.000 -0.011 0.000 0.816 1148 A HN 0.409 nan 8.150 nan 0.000 0.444 1149 T N 0.075 114.655 114.554 0.044 0.000 2.867 1149 T HA -0.035 4.313 4.350 -0.003 0.000 0.268 1149 T C 1.253 175.987 174.700 0.057 0.000 1.057 1149 T CA 1.101 63.240 62.100 0.065 0.000 1.136 1149 T CB -0.195 68.727 68.868 0.090 0.000 0.874 1149 T HN 0.190 nan 8.240 nan 0.000 0.466 1150 L N 0.557 121.810 121.223 0.050 0.000 2.591 1150 L HA 0.353 4.691 4.340 -0.003 0.000 0.228 1150 L C 1.787 178.690 176.870 0.054 0.000 1.133 1150 L CA 0.372 55.242 54.840 0.051 0.000 0.880 1150 L CB -1.007 41.084 42.059 0.053 0.000 1.033 1150 L HN 0.405 nan 8.230 nan 0.000 0.450 1151 G N -0.058 108.777 108.800 0.057 0.000 2.249 1151 G HA2 -0.289 3.669 3.960 -0.003 0.000 0.273 1151 G HA3 -0.289 3.669 3.960 -0.003 0.000 0.273 1151 G C 0.306 175.265 174.900 0.098 0.000 1.036 1151 G CA 0.200 45.351 45.100 0.085 0.000 0.824 1151 G HN 0.303 nan 8.290 nan 0.000 0.504 1152 L N -0.195 121.052 121.223 0.039 0.000 2.395 1152 L HA 0.579 4.917 4.340 -0.003 0.000 0.269 1152 L C 1.294 178.049 176.870 -0.192 0.000 1.133 1152 L CA -0.263 54.551 54.840 -0.043 0.000 0.812 1152 L CB 1.398 43.433 42.059 -0.040 0.000 1.125 1152 L HN 0.259 nan 8.230 nan 0.000 0.452 1153 A N 2.883 125.432 122.820 -0.452 0.000 3.026 1153 A HA 0.541 4.859 4.320 -0.003 0.000 0.272 1153 A C 0.347 177.560 177.584 -0.618 0.000 1.782 1153 A CA -0.159 51.254 52.037 -1.040 0.000 1.451 1153 A CB -0.727 17.549 19.000 -1.207 0.000 1.081 1153 A HN 0.701 nan 8.150 nan 0.000 0.611 1154 A N 1.221 123.742 122.820 -0.499 0.000 2.325 1154 A HA 0.810 5.128 4.320 -0.003 0.000 0.333 1154 A C -0.973 176.339 177.584 -0.453 0.000 1.155 1154 A CA -0.436 51.367 52.037 -0.390 0.000 0.814 1154 A CB 0.734 19.567 19.000 -0.279 0.000 1.206 1154 A HN 0.607 nan 8.150 nan 0.000 0.482 1155 Y N -0.090 120.132 120.300 -0.130 0.000 2.442 1155 Y HA 0.546 5.094 4.550 -0.003 0.000 0.344 1155 Y C 0.751 176.798 175.900 0.246 0.000 0.976 1155 Y CA -0.471 57.675 58.100 0.076 0.000 1.040 1155 Y CB 2.566 41.176 38.460 0.250 0.000 1.228 1155 Y HN 0.850 nan 8.280 nan 0.000 0.451 1156 G N 1.866 110.832 108.800 0.277 0.000 2.343 1156 G HA2 0.492 4.450 3.960 -0.003 0.000 0.319 1156 G HA3 0.492 4.450 3.960 -0.003 0.000 0.319 1156 G C -1.923 173.071 174.900 0.156 0.000 1.126 1156 G CA -0.348 44.946 45.100 0.324 0.000 0.889 1156 G HN 0.497 nan 8.290 nan 0.000 0.457 1157 Y N 1.171 121.733 120.300 0.437 0.000 2.331 1157 Y HA 0.622 5.170 4.550 -0.003 0.000 0.334 1157 Y C 0.740 176.967 175.900 0.544 0.000 0.960 1157 Y CA 0.048 58.380 58.100 0.387 0.000 1.130 1157 Y CB 2.519 41.222 38.460 0.405 0.000 1.164 1157 Y HN 0.855 nan 8.280 nan 0.000 0.458 1158 G N 2.473 111.584 108.800 0.519 0.000 2.815 1158 G HA2 0.628 4.586 3.960 -0.003 0.000 0.305 1158 G HA3 0.628 4.586 3.960 -0.003 0.000 0.305 1158 G C -1.678 173.462 174.900 0.400 0.000 1.277 1158 G CA -0.849 44.599 45.100 0.579 0.000 0.795 1158 G HN 0.420 nan 8.290 nan 0.000 0.528 1159 I N 0.478 121.177 120.570 0.216 0.000 2.412 1159 I HA 0.412 4.580 4.170 -0.003 0.000 0.296 1159 I C 0.399 176.419 176.117 -0.162 0.000 0.987 1159 I CA -0.707 60.599 61.300 0.010 0.000 1.180 1159 I CB 2.116 39.915 38.000 -0.335 0.000 1.340 1159 I HN 0.381 nan 8.210 nan 0.000 0.455 1160 R N 6.226 126.737 120.500 0.019 0.000 2.870 1160 R HA 0.216 4.554 4.340 -0.003 0.000 0.254 1160 R C -1.249 175.109 176.300 0.096 0.000 1.392 1160 R CA -0.461 55.688 56.100 0.081 0.000 1.322 1160 R CB -0.093 30.238 30.300 0.053 0.000 1.205 1160 R HN 0.383 nan 8.270 nan 0.000 0.597 1161 Y N 1.460 121.922 120.300 0.270 0.000 2.526 1161 Y HA -0.088 4.460 4.550 -0.003 0.000 0.330 1161 Y C 1.557 177.642 175.900 0.307 0.000 1.156 1161 Y CA 0.136 58.380 58.100 0.239 0.000 1.419 1161 Y CB 0.773 39.348 38.460 0.192 0.000 1.250 1161 Y HN 0.583 nan 8.280 nan 0.000 0.540 1162 E N 2.215 122.593 120.200 0.296 0.000 2.204 1162 E HA -0.137 4.211 4.350 -0.003 0.000 0.194 1162 E C -0.828 175.724 176.600 -0.079 0.000 0.989 1162 E CA 0.853 57.247 56.400 -0.011 0.000 0.824 1162 E CB 0.177 29.750 29.700 -0.210 0.000 0.756 1162 E HN 0.661 nan 8.360 nan 0.000 0.477 1163 Y N -0.935 119.585 120.300 0.367 0.000 2.346 1163 Y HA 0.454 5.002 4.550 -0.003 0.000 0.332 1163 Y C 0.612 176.594 175.900 0.137 0.000 0.985 1163 Y CA -0.872 57.396 58.100 0.279 0.000 1.112 1163 Y CB 2.028 40.574 38.460 0.144 0.000 1.170 1163 Y HN -0.081 nan 8.280 nan 0.000 0.447 1164 G N 1.653 110.538 108.800 0.141 0.000 2.531 1164 G HA2 0.314 4.272 3.960 -0.003 0.000 0.253 1164 G HA3 0.314 4.272 3.960 -0.003 0.000 0.253 1164 G C -0.620 174.216 174.900 -0.108 0.000 1.439 1164 G CA -0.734 44.296 45.100 -0.117 0.000 1.056 1164 G HN 0.602 nan 8.290 nan 0.000 0.555 1165 I N 1.170 121.597 120.570 -0.239 0.000 2.741 1165 I HA 0.196 4.364 4.170 -0.003 0.000 0.288 1165 I C 0.586 176.585 176.117 -0.197 0.000 1.192 1165 I CA -1.175 59.971 61.300 -0.257 0.000 1.426 1165 I CB -0.567 37.182 38.000 -0.418 0.000 1.367 1165 I HN 0.338 nan 8.210 nan 0.000 0.563 1166 F N 5.386 125.324 119.950 -0.022 0.000 2.626 1166 F HA 0.131 4.656 4.527 -0.003 0.000 0.354 1166 F C 0.384 176.214 175.800 0.051 0.000 1.168 1166 F CA -0.432 57.579 58.000 0.017 0.000 1.368 1166 F CB -0.521 38.481 39.000 0.003 0.000 1.092 1166 F HN 0.548 nan 8.300 nan 0.000 0.612 1167 N N 1.862 120.704 118.700 0.237 0.000 2.488 1167 N HA 0.080 4.818 4.740 -0.003 0.000 0.274 1167 N C -0.897 174.818 175.510 0.341 0.000 1.111 1167 N CA -0.644 52.514 53.050 0.181 0.000 0.974 1167 N CB 0.666 39.256 38.487 0.170 0.000 1.089 1167 N HN 0.687 nan 8.380 nan 0.000 0.465 1168 Q N 2.719 122.684 119.800 0.274 0.000 2.271 1168 Q HA 0.236 4.574 4.340 -0.003 0.000 0.258 1168 Q C -1.088 175.077 176.000 0.275 0.000 0.936 1168 Q CA -0.560 55.467 55.803 0.373 0.000 0.909 1168 Q CB 0.706 29.676 28.738 0.385 0.000 1.253 1168 Q HN 0.347 nan 8.270 nan 0.000 0.440 1169 K N 3.426 123.970 120.400 0.240 0.000 2.281 1169 K HA 0.535 4.853 4.320 -0.003 0.000 0.242 1169 K C -0.692 176.016 176.600 0.180 0.000 0.971 1169 K CA -0.935 55.463 56.287 0.185 0.000 0.834 1169 K CB 1.544 34.123 32.500 0.132 0.000 1.181 1169 K HN 0.608 nan 8.250 nan 0.000 0.435 1170 I N 2.890 123.558 120.570 0.163 0.000 2.411 1170 I HA 0.283 4.451 4.170 -0.003 0.000 0.284 1170 I C -0.410 175.774 176.117 0.112 0.000 1.012 1170 I CA -0.732 60.648 61.300 0.133 0.000 1.119 1170 I CB 1.068 39.155 38.000 0.145 0.000 1.261 1170 I HN 0.235 nan 8.210 nan 0.000 0.448 1171 R N 4.041 124.615 120.500 0.123 0.000 2.393 1171 R HA 0.261 4.599 4.340 -0.003 0.000 0.315 1171 R C -0.088 176.319 176.300 0.179 0.000 0.952 1171 R CA -0.791 55.380 56.100 0.119 0.000 0.842 1171 R CB 0.707 31.062 30.300 0.091 0.000 1.163 1171 R HN 0.615 nan 8.270 nan 0.000 0.450 1172 D N 1.755 122.238 120.400 0.138 0.000 2.751 1172 D HA -0.201 4.437 4.640 -0.003 0.000 0.233 1172 D C 0.902 177.279 176.300 0.129 0.000 1.149 1172 D CA 2.008 56.105 54.000 0.162 0.000 0.682 1172 D CB -0.866 40.073 40.800 0.232 0.000 1.068 1172 D HN 0.968 nan 8.370 nan 0.000 0.429 1173 G N -2.308 106.497 108.800 0.010 0.000 2.234 1173 G HA2 -0.331 3.627 3.960 -0.003 0.000 0.260 1173 G HA3 -0.331 3.627 3.960 -0.003 0.000 0.260 1173 G C 0.245 174.972 174.900 -0.289 0.000 0.987 1173 G CA 0.440 45.428 45.100 -0.185 0.000 0.625 1173 G HN 0.353 nan 8.290 nan 0.000 0.532 1174 W N 0.946 122.193 121.300 -0.087 0.000 2.516 1174 W HA 0.677 5.335 4.660 -0.003 0.000 0.343 1174 W C 0.657 177.120 176.519 -0.093 0.000 1.094 1174 W CA -0.824 56.458 57.345 -0.105 0.000 1.250 1174 W CB 0.697 30.114 29.460 -0.072 0.000 1.308 1174 W HN 0.273 nan 8.180 nan 0.000 0.588 1175 Q N 1.339 121.238 119.800 0.166 0.000 2.332 1175 Q HA 0.386 4.724 4.340 -0.003 0.000 0.263 1175 Q C -1.235 174.829 176.000 0.108 0.000 0.979 1175 Q CA 0.145 56.020 55.803 0.119 0.000 0.885 1175 Q CB 0.884 29.692 28.738 0.118 0.000 1.218 1175 Q HN 0.461 nan 8.270 nan 0.000 0.405 1176 V N 3.813 123.789 119.914 0.103 0.000 2.638 1176 V HA 0.278 4.396 4.120 -0.003 0.000 0.306 1176 V C -1.167 174.951 176.094 0.041 0.000 1.052 1176 V CA -0.797 61.528 62.300 0.042 0.000 0.885 1176 V CB 2.179 34.035 31.823 0.055 0.000 0.999 1176 V HN 0.873 nan 8.190 nan 0.000 0.424 1177 E N 2.995 123.140 120.200 -0.091 0.000 2.231 1177 E HA 0.627 4.974 4.350 -0.003 0.000 0.277 1177 E C -0.722 175.876 176.600 -0.003 0.000 0.999 1177 E CA -0.405 55.919 56.400 -0.127 0.000 0.827 1177 E CB 1.490 30.841 29.700 -0.582 0.000 1.101 1177 E HN 0.611 nan 8.360 nan 0.000 0.393 1178 E N 0.729 121.005 120.200 0.126 0.000 2.293 1178 E HA 0.539 4.887 4.350 -0.003 0.000 0.270 1178 E C -1.115 175.559 176.600 0.124 0.000 0.879 1178 E CA -1.230 55.227 56.400 0.094 0.000 0.756 1178 E CB 2.013 31.780 29.700 0.112 0.000 1.208 1178 E HN 0.574 nan 8.360 nan 0.000 0.428 1179 A N 2.231 125.077 122.820 0.044 0.000 2.524 1179 A HA -0.002 4.316 4.320 -0.003 0.000 0.250 1179 A C 0.058 177.761 177.584 0.198 0.000 1.078 1179 A CA 0.101 52.152 52.037 0.023 0.000 0.761 1179 A CB -0.083 18.796 19.000 -0.203 0.000 1.012 1179 A HN 0.592 nan 8.150 nan 0.000 0.500 1180 D N 2.083 122.662 120.400 0.298 0.000 2.508 1180 D HA 0.136 4.774 4.640 -0.003 0.000 0.224 1180 D C -0.203 176.410 176.300 0.521 0.000 1.171 1180 D CA -0.128 54.074 54.000 0.335 0.000 1.006 1180 D CB 0.252 41.187 40.800 0.226 0.000 1.073 1180 D HN 0.389 nan 8.370 nan 0.000 0.513 1181 D N 3.590 124.244 120.400 0.424 0.000 3.032 1181 D HA -0.036 4.602 4.640 -0.003 0.000 0.241 1181 D C 1.222 177.593 176.300 0.118 0.000 1.196 1181 D CA -0.499 53.661 54.000 0.267 0.000 0.927 1181 D CB -0.283 40.648 40.800 0.218 0.000 1.129 1181 D HN 0.560 nan 8.370 nan 0.000 0.458 1182 W N 0.770 122.065 121.300 -0.009 0.000 2.387 1182 W HA -0.106 4.552 4.660 -0.003 0.000 0.272 1182 W C 0.161 176.665 176.519 -0.026 0.000 1.224 1182 W CA 0.282 57.628 57.345 0.002 0.000 1.210 1182 W CB -0.860 28.625 29.460 0.041 0.000 1.125 1182 W HN 0.172 nan 8.180 nan 0.000 0.572 1183 L N 0.832 121.604 121.223 -0.752 0.000 2.607 1183 L HA 0.191 4.529 4.340 -0.003 0.000 0.228 1183 L C 2.738 179.349 176.870 -0.432 0.000 1.123 1183 L CA -0.040 54.344 54.840 -0.761 0.000 0.890 1183 L CB -0.628 40.854 42.059 -0.962 0.000 1.103 1183 L HN -0.109 nan 8.230 nan 0.000 0.468 1184 R N 0.896 121.147 120.500 -0.415 0.000 2.113 1184 R HA -0.231 4.107 4.340 -0.003 0.000 0.244 1184 R C 1.240 177.249 176.300 -0.485 0.000 1.142 1184 R CA 2.166 57.962 56.100 -0.508 0.000 0.953 1184 R CB -0.209 29.648 30.300 -0.739 0.000 0.860 1184 R HN 0.384 nan 8.270 nan 0.000 0.438 1185 Y N -0.639 119.687 120.300 0.043 0.000 2.485 1185 Y HA 0.349 4.897 4.550 -0.003 0.000 0.260 1185 Y C 0.606 176.569 175.900 0.105 0.000 1.173 1185 Y CA -0.167 58.003 58.100 0.117 0.000 1.252 1185 Y CB 1.185 39.799 38.460 0.257 0.000 1.123 1185 Y HN 0.389 nan 8.280 nan 0.000 0.524 1186 G N 1.704 110.547 108.800 0.071 0.000 2.784 1186 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.686 1186 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.686 1186 G C -1.481 173.465 174.900 0.076 0.000 1.156 1186 G CA -1.030 44.068 45.100 -0.003 0.000 0.757 1186 G HN 0.246 nan 8.290 nan 0.000 0.642 1187 N N 2.339 121.020 118.700 -0.030 0.000 2.564 1187 N HA 0.588 5.326 4.740 -0.003 0.000 0.248 1187 N C -0.422 175.077 175.510 -0.018 0.000 0.986 1187 N CA -2.022 51.051 53.050 0.039 0.000 0.921 1187 N CB 1.956 40.400 38.487 -0.071 0.000 1.136 1187 N HN 0.243 nan 8.380 nan 0.000 0.509 1188 P HA -0.035 nan 4.420 nan 0.000 0.226 1188 P C 0.357 177.370 177.300 -0.480 0.000 1.153 1188 P CA 0.859 63.678 63.100 -0.467 0.000 0.777 1188 P CB 0.034 31.247 31.700 -0.813 0.000 0.794 1189 W N 1.885 123.213 121.300 0.046 0.000 3.180 1189 W HA 0.103 4.762 4.660 -0.003 0.000 0.254 1189 W C 0.857 177.419 176.519 0.071 0.000 1.318 1189 W CA -0.529 56.838 57.345 0.037 0.000 1.608 1189 W CB -0.070 29.428 29.460 0.063 0.000 1.124 1189 W HN 0.093 nan 8.180 nan 0.000 0.694 1190 E N 0.864 121.209 120.200 0.242 0.000 2.207 1190 E HA 0.528 4.876 4.350 -0.003 0.000 0.270 1190 E C -0.884 175.864 176.600 0.246 0.000 0.927 1190 E CA -1.223 55.334 56.400 0.262 0.000 0.799 1190 E CB 1.820 31.667 29.700 0.245 0.000 1.172 1190 E HN -0.299 nan 8.360 nan 0.000 0.404 1191 K N 1.649 122.215 120.400 0.277 0.000 2.535 1191 K HA 0.208 4.526 4.320 -0.003 0.000 0.253 1191 K C -1.050 175.568 176.600 0.031 0.000 0.953 1191 K CA -0.562 55.827 56.287 0.171 0.000 0.863 1191 K CB 1.877 34.495 32.500 0.197 0.000 1.111 1191 K HN 0.530 nan 8.250 nan 0.000 0.431 1192 S N 3.798 119.441 115.700 -0.095 0.000 2.537 1192 S HA 0.192 4.660 4.470 -0.003 0.000 0.286 1192 S C -0.253 174.173 174.600 -0.289 0.000 1.299 1192 S CA -0.264 57.640 58.200 -0.494 0.000 1.067 1192 S CB 0.211 63.156 63.200 -0.424 0.000 0.864 1192 S HN 0.496 nan 8.310 nan 0.000 0.494 1193 R N 5.340 125.656 120.500 -0.307 0.000 2.860 1193 R HA 0.258 4.596 4.340 -0.003 0.000 0.282 1193 R C -2.257 173.992 176.300 -0.086 0.000 1.408 1193 R CA -2.232 53.804 56.100 -0.106 0.000 1.636 1193 R CB 0.032 30.348 30.300 0.026 0.000 1.187 1193 R HN 0.475 nan 8.270 nan 0.000 0.611 1194 P HA -0.258 nan 4.420 nan 0.000 0.215 1194 P C 1.227 178.470 177.300 -0.096 0.000 1.163 1194 P CA 1.383 64.424 63.100 -0.099 0.000 0.894 1194 P CB 0.259 31.901 31.700 -0.098 0.000 0.791 1195 E N -0.737 119.346 120.200 -0.196 0.000 2.396 1195 E HA -0.175 4.173 4.350 -0.003 0.000 0.200 1195 E C 0.721 177.063 176.600 -0.431 0.000 1.023 1195 E CA 1.172 57.368 56.400 -0.340 0.000 0.857 1195 E CB -0.952 28.452 29.700 -0.494 0.000 0.775 1195 E HN 0.298 nan 8.360 nan 0.000 0.525 1196 F N 0.699 120.648 119.950 -0.000 0.000 2.639 1196 F HA 0.346 4.871 4.527 -0.003 0.000 0.302 1196 F C 1.093 176.987 175.800 0.158 0.000 1.097 1196 F CA -0.631 57.407 58.000 0.063 0.000 1.294 1196 F CB -0.008 39.012 39.000 0.033 0.000 1.027 1196 F HN -0.087 nan 8.300 nan 0.000 0.550 1197 M N 1.472 121.212 119.600 0.233 0.000 2.252 1197 M HA 0.237 4.715 4.480 -0.003 0.000 0.329 1197 M C -0.932 175.504 176.300 0.227 0.000 1.101 1197 M CA 0.959 56.409 55.300 0.251 0.000 1.117 1197 M CB 0.464 33.147 32.600 0.138 0.000 1.563 1197 M HN 0.081 nan 8.290 nan 0.000 0.445 1198 L N 5.020 126.360 121.223 0.195 0.000 2.415 1198 L HA 0.668 5.006 4.340 -0.003 0.000 0.256 1198 L C -2.473 174.390 176.870 -0.013 0.000 1.010 1198 L CA -1.889 52.988 54.840 0.061 0.000 0.826 1198 L CB 2.467 44.506 42.059 -0.033 0.000 1.405 1198 L HN 0.545 nan 8.230 nan 0.000 0.410 1199 P HA 0.380 nan 4.420 nan 0.000 0.296 1199 P C -1.364 175.798 177.300 -0.231 0.000 1.301 1199 P CA -0.510 62.514 63.100 -0.127 0.000 0.862 1199 P CB 2.440 34.062 31.700 -0.130 0.000 1.046 1200 V N 3.742 123.499 119.914 -0.262 0.000 2.680 1200 V HA 0.360 4.478 4.120 -0.003 0.000 0.309 1200 V C 0.183 176.008 176.094 -0.449 0.000 1.052 1200 V CA -0.620 61.499 62.300 -0.301 0.000 0.908 1200 V CB 1.631 33.340 31.823 -0.191 0.000 1.001 1200 V HN 0.614 nan 8.190 nan 0.000 0.431 1201 H N 3.330 122.209 119.070 -0.320 0.000 2.499 1201 H HA 0.648 5.202 4.556 -0.003 0.000 0.340 1201 H C -1.357 173.617 175.328 -0.590 0.000 1.148 1201 H CA -0.195 55.575 56.048 -0.464 0.000 1.215 1201 H CB 1.984 31.221 29.762 -0.875 0.000 1.529 1201 H HN 0.465 nan 8.280 nan 0.000 0.510 1202 F N -0.118 119.873 119.950 0.069 0.000 2.613 1202 F HA 0.214 4.739 4.527 -0.003 0.000 0.314 1202 F C 0.009 175.946 175.800 0.229 0.000 1.075 1202 F CA -0.593 57.473 58.000 0.110 0.000 0.945 1202 F CB 0.928 39.893 39.000 -0.058 0.000 1.310 1202 F HN 0.616 nan 8.300 nan 0.000 0.467 1203 Y N 0.354 120.954 120.300 0.500 0.000 2.875 1203 Y HA -0.107 4.442 4.550 -0.003 0.000 0.467 1203 Y C 1.544 177.716 175.900 0.453 0.000 1.183 1203 Y CA 1.101 59.416 58.100 0.359 0.000 2.568 1203 Y CB -1.795 36.802 38.460 0.229 0.000 1.216 1203 Y HN 1.238 nan 8.280 nan 0.000 0.629 1204 G N 0.633 109.725 108.800 0.486 0.000 2.601 1204 G HA2 -0.020 3.938 3.960 -0.003 0.000 0.252 1204 G HA3 -0.020 3.938 3.960 -0.003 0.000 0.252 1204 G C -0.712 174.406 174.900 0.363 0.000 1.294 1204 G CA 0.652 45.960 45.100 0.346 0.000 0.912 1204 G HN 1.245 nan 8.290 nan 0.000 0.574 1205 K N -2.558 118.044 120.400 0.336 0.000 2.548 1205 K HA 0.731 5.049 4.320 -0.003 0.000 0.282 1205 K C -1.122 175.584 176.600 0.177 0.000 1.006 1205 K CA -1.104 55.309 56.287 0.210 0.000 0.892 1205 K CB 1.832 34.404 32.500 0.121 0.000 1.499 1205 K HN 0.811 nan 8.250 nan 0.000 0.433 1206 V N 0.989 120.913 119.914 0.018 0.000 2.407 1206 V HA 0.284 4.402 4.120 -0.003 0.000 0.278 1206 V C -0.386 175.580 176.094 -0.214 0.000 1.037 1206 V CA -0.429 61.801 62.300 -0.117 0.000 0.900 1206 V CB 1.025 32.706 31.823 -0.236 0.000 0.983 1206 V HN 0.825 nan 8.190 nan 0.000 0.459 1207 E N 3.388 123.462 120.200 -0.210 0.000 2.158 1207 E HA 0.334 4.682 4.350 -0.003 0.000 0.271 1207 E C -0.928 175.512 176.600 -0.268 0.000 0.911 1207 E CA -0.739 55.553 56.400 -0.180 0.000 0.767 1207 E CB 0.747 30.419 29.700 -0.047 0.000 1.120 1207 E HN 0.735 nan 8.360 nan 0.000 0.405 1208 H N 4.088 123.172 119.070 0.023 0.000 2.818 1208 H HA 0.155 4.709 4.556 -0.003 0.000 0.269 1208 H C 0.121 175.458 175.328 0.015 0.000 1.277 1208 H CA -0.153 55.904 56.048 0.015 0.000 1.290 1208 H CB 0.299 30.064 29.762 0.006 0.000 1.479 1208 H HN 0.545 nan 8.280 nan 0.000 0.507 1209 T N -1.095 113.515 114.554 0.093 0.000 2.884 1209 T HA 0.139 4.487 4.350 -0.003 0.000 0.277 1209 T C 1.336 176.071 174.700 0.059 0.000 0.976 1209 T CA -0.978 61.160 62.100 0.063 0.000 0.956 1209 T CB 1.196 70.087 68.868 0.039 0.000 1.113 1209 T HN 0.410 nan 8.240 nan 0.000 0.554 1210 N N 0.606 119.332 118.700 0.043 0.000 2.609 1210 N HA -0.034 4.704 4.740 -0.003 0.000 0.190 1210 N C 0.657 176.188 175.510 0.035 0.000 1.157 1210 N CA 1.063 54.135 53.050 0.035 0.000 0.918 1210 N CB -0.145 38.359 38.487 0.028 0.000 0.978 1210 N HN 0.862 nan 8.380 nan 0.000 0.448 1211 T N -2.275 112.302 114.554 0.039 0.000 3.448 1211 T HA 0.526 4.874 4.350 -0.003 0.000 0.271 1211 T C 0.597 175.324 174.700 0.045 0.000 1.002 1211 T CA -0.233 61.890 62.100 0.038 0.000 0.995 1211 T CB 0.784 69.671 68.868 0.032 0.000 1.153 1211 T HN 0.273 nan 8.240 nan 0.000 0.510 1212 G N 1.782 110.616 108.800 0.056 0.000 2.760 1212 G HA2 0.032 3.990 3.960 -0.003 0.000 0.246 1212 G HA3 0.032 3.990 3.960 -0.003 0.000 0.246 1212 G C -0.145 174.799 174.900 0.074 0.000 1.359 1212 G CA -0.447 44.695 45.100 0.069 0.000 0.861 1212 G HN 1.395 nan 8.290 nan 0.000 0.541 1213 T N -1.351 113.250 114.554 0.079 0.000 2.856 1213 T HA 0.666 5.014 4.350 -0.003 0.000 0.292 1213 T C 0.024 174.725 174.700 0.001 0.000 0.980 1213 T CA -0.002 62.115 62.100 0.028 0.000 1.091 1213 T CB 1.448 70.333 68.868 0.028 0.000 0.936 1213 T HN 0.676 nan 8.240 nan 0.000 0.503 1214 K N 2.411 122.797 120.400 -0.023 0.000 2.270 1214 K HA 0.332 4.650 4.320 -0.003 0.000 0.255 1214 K C -1.326 175.326 176.600 0.086 0.000 0.936 1214 K CA -0.838 55.466 56.287 0.027 0.000 0.809 1214 K CB 1.449 33.958 32.500 0.016 0.000 1.131 1214 K HN 0.694 nan 8.250 nan 0.000 0.427 1215 W N 7.032 128.265 121.300 -0.112 0.000 2.316 1215 W HA 0.307 4.965 4.660 -0.003 0.000 0.339 1215 W C -0.723 175.740 176.519 -0.093 0.000 1.002 1215 W CA -1.411 55.870 57.345 -0.107 0.000 1.465 1215 W CB -0.308 29.078 29.460 -0.123 0.000 1.300 1215 W HN 0.506 nan 8.180 nan 0.000 0.378 1216 I N 2.205 122.861 120.570 0.143 0.000 2.822 1216 I HA 0.498 4.666 4.170 -0.003 0.000 0.312 1216 I C 0.178 176.305 176.117 0.016 0.000 1.011 1216 I CA -0.678 60.628 61.300 0.011 0.000 1.105 1216 I CB 1.765 39.782 38.000 0.029 0.000 1.291 1216 I HN 0.248 nan 8.210 nan 0.000 0.474 1217 D N 1.016 121.412 120.400 -0.007 0.000 2.870 1217 D HA -0.159 4.479 4.640 -0.003 0.000 0.228 1217 D C 0.275 176.597 176.300 0.037 0.000 1.147 1217 D CA 1.332 55.347 54.000 0.025 0.000 0.757 1217 D CB -1.709 39.125 40.800 0.056 0.000 1.091 1217 D HN 0.995 nan 8.370 nan 0.000 0.429 1218 T N -2.713 111.817 114.554 -0.039 0.000 2.849 1218 T HA 0.451 4.799 4.350 -0.003 0.000 0.284 1218 T C 0.445 175.204 174.700 0.098 0.000 1.004 1218 T CA -0.613 61.485 62.100 -0.004 0.000 1.021 1218 T CB 1.970 70.668 68.868 -0.284 0.000 1.013 1218 T HN 0.036 nan 8.240 nan 0.000 0.527 1219 Q N 0.575 120.490 119.800 0.193 0.000 2.241 1219 Q HA 0.588 4.926 4.340 -0.003 0.000 0.254 1219 Q C -0.916 175.180 176.000 0.160 0.000 0.917 1219 Q CA -0.897 55.022 55.803 0.193 0.000 0.919 1219 Q CB 1.909 30.818 28.738 0.285 0.000 1.237 1219 Q HN 0.526 nan 8.270 nan 0.000 0.434 1220 V N 2.707 122.662 119.914 0.068 0.000 2.547 1220 V HA 0.476 4.594 4.120 -0.003 0.000 0.299 1220 V C -0.402 175.733 176.094 0.068 0.000 1.040 1220 V CA -0.694 61.578 62.300 -0.048 0.000 0.913 1220 V CB 1.869 33.599 31.823 -0.156 0.000 0.992 1220 V HN 0.487 nan 8.190 nan 0.000 0.449 1221 V N 5.444 125.427 119.914 0.116 0.000 2.531 1221 V HA 0.453 4.571 4.120 -0.003 0.000 0.301 1221 V C -0.220 175.987 176.094 0.189 0.000 1.034 1221 V CA -0.568 61.853 62.300 0.201 0.000 0.865 1221 V CB 1.896 33.935 31.823 0.361 0.000 0.995 1221 V HN 0.643 nan 8.190 nan 0.000 0.424 1222 L N 3.758 125.088 121.223 0.178 0.000 2.371 1222 L HA 0.697 5.035 4.340 -0.003 0.000 0.272 1222 L C 0.518 177.591 176.870 0.338 0.000 1.124 1222 L CA -0.216 54.734 54.840 0.184 0.000 0.816 1222 L CB 1.126 43.273 42.059 0.146 0.000 1.129 1222 L HN 0.747 nan 8.230 nan 0.000 0.448 1223 A N 4.124 127.115 122.820 0.285 0.000 2.285 1223 A HA 0.553 4.871 4.320 -0.003 0.000 0.310 1223 A C -0.881 177.044 177.584 0.569 0.000 1.266 1223 A CA -0.455 51.825 52.037 0.404 0.000 0.832 1223 A CB 0.886 19.752 19.000 -0.223 0.000 1.163 1223 A HN 0.505 nan 8.150 nan 0.000 0.499 1224 L N 5.883 127.447 121.223 0.567 0.000 2.255 1224 L HA 0.578 4.916 4.340 -0.003 0.000 0.289 1224 L C -2.414 174.636 176.870 0.300 0.000 1.046 1224 L CA -2.198 52.870 54.840 0.379 0.000 0.816 1224 L CB 0.998 43.224 42.059 0.278 0.000 1.197 1224 L HN 0.387 nan 8.230 nan 0.000 0.427 1225 P HA 0.195 nan 4.420 nan 0.000 0.279 1225 P C -1.736 175.334 177.300 -0.384 0.000 1.239 1225 P CA -0.037 62.719 63.100 -0.575 0.000 0.789 1225 P CB 0.589 31.596 31.700 -1.156 0.000 0.933 1226 Y N 0.591 120.723 120.300 -0.280 0.000 2.338 1226 Y HA 0.276 4.824 4.550 -0.003 0.000 0.333 1226 Y C 0.180 176.013 175.900 -0.113 0.000 0.968 1226 Y CA -0.551 57.481 58.100 -0.113 0.000 1.123 1226 Y CB 1.628 40.072 38.460 -0.028 0.000 1.165 1226 Y HN 0.219 nan 8.280 nan 0.000 0.452 1227 D N 2.080 122.534 120.400 0.090 0.000 2.198 1227 D HA 0.360 4.998 4.640 -0.003 0.000 0.245 1227 D C -0.619 175.897 176.300 0.360 0.000 1.079 1227 D CA -0.153 53.955 54.000 0.180 0.000 0.854 1227 D CB 1.805 42.714 40.800 0.182 0.000 1.148 1227 D HN 0.364 nan 8.370 nan 0.000 0.456 1228 T N 3.480 118.180 114.554 0.245 0.000 2.812 1228 T HA 0.424 4.772 4.350 -0.003 0.000 0.282 1228 T C -2.504 172.107 174.700 -0.148 0.000 0.990 1228 T CA -1.437 60.729 62.100 0.111 0.000 0.960 1228 T CB 2.000 70.911 68.868 0.072 0.000 0.948 1228 T HN 0.185 nan 8.240 nan 0.000 0.438 1229 P HA 0.236 nan 4.420 nan 0.000 0.271 1229 P C -0.940 176.047 177.300 -0.523 0.000 1.216 1229 P CA -0.309 62.111 63.100 -1.133 0.000 0.776 1229 P CB 0.819 31.596 31.700 -1.538 0.000 0.881 1230 V N 5.518 125.181 119.914 -0.417 0.000 2.305 1230 V HA 0.248 4.366 4.120 -0.003 0.000 0.275 1230 V C -1.976 173.996 176.094 -0.204 0.000 1.020 1230 V CA -1.924 60.236 62.300 -0.234 0.000 0.811 1230 V CB 1.354 33.095 31.823 -0.136 0.000 1.031 1230 V HN 0.553 nan 8.190 nan 0.000 0.439 1231 P HA 0.221 nan 4.420 nan 0.000 0.282 1231 P C 0.383 177.641 177.300 -0.069 0.000 1.262 1231 P CA 0.348 63.366 63.100 -0.137 0.000 0.773 1231 P CB 1.583 33.199 31.700 -0.141 0.000 0.879 1232 G N 2.958 111.733 108.800 -0.043 0.000 2.569 1232 G HA2 0.104 4.062 3.960 -0.003 0.000 0.249 1232 G HA3 0.104 4.062 3.960 -0.003 0.000 0.249 1232 G C -1.064 173.850 174.900 0.022 0.000 1.216 1232 G CA -0.393 44.710 45.100 0.005 0.000 0.845 1232 G HN 0.482 nan 8.290 nan 0.000 0.568 1233 Y N 2.610 122.878 120.300 -0.052 0.000 2.587 1233 Y HA 0.183 4.731 4.550 -0.003 0.000 0.344 1233 Y C 1.102 176.970 175.900 -0.053 0.000 1.061 1233 Y CA -0.682 57.382 58.100 -0.060 0.000 1.370 1233 Y CB 0.232 38.655 38.460 -0.061 0.000 1.163 1233 Y HN 0.484 nan 8.280 nan 0.000 0.527 1234 M N 4.902 124.142 119.600 -0.600 0.000 2.206 1234 M HA -0.323 4.155 4.480 -0.003 0.000 0.197 1234 M C -0.290 175.871 176.300 -0.232 0.000 0.375 1234 M CA 1.228 56.235 55.300 -0.488 0.000 0.410 1234 M CB -1.984 30.179 32.600 -0.728 0.000 1.204 1234 M HN 0.856 nan 8.290 nan 0.000 0.932 1235 N N -1.164 117.452 118.700 -0.140 0.000 2.142 1235 N HA 0.118 4.856 4.740 -0.003 0.000 0.233 1235 N C 0.196 175.667 175.510 -0.064 0.000 1.335 1235 N CA 0.228 53.230 53.050 -0.080 0.000 0.837 1235 N CB 0.167 38.630 38.487 -0.041 0.000 1.238 1235 N HN 0.303 nan 8.380 nan 0.000 0.501 1236 N N -0.916 117.743 118.700 -0.068 0.000 2.900 1236 N HA -0.149 4.589 4.740 -0.003 0.000 0.240 1236 N C -0.910 174.573 175.510 -0.045 0.000 0.953 1236 N CA 1.514 54.534 53.050 -0.051 0.000 0.950 1236 N CB -1.847 36.609 38.487 -0.053 0.000 1.102 1236 N HN 0.439 nan 8.380 nan 0.000 0.593 1237 T N 0.983 115.514 114.554 -0.039 0.000 2.845 1237 T HA 0.555 4.903 4.350 -0.003 0.000 0.288 1237 T C 0.316 175.001 174.700 -0.025 0.000 0.980 1237 T CA -0.268 61.820 62.100 -0.020 0.000 1.071 1237 T CB 2.254 71.133 68.868 0.018 0.000 0.941 1237 T HN -0.065 nan 8.240 nan 0.000 0.487 1238 V N 4.792 124.700 119.914 -0.010 0.000 2.445 1238 V HA 0.307 4.425 4.120 -0.003 0.000 0.283 1238 V C 0.123 176.230 176.094 0.022 0.000 1.014 1238 V CA -1.031 61.229 62.300 -0.067 0.000 0.852 1238 V CB 1.161 32.915 31.823 -0.116 0.000 1.021 1238 V HN 0.843 nan 8.190 nan 0.000 0.435 1239 N N 1.898 120.582 118.700 -0.027 0.000 2.418 1239 N HA 0.595 5.333 4.740 -0.003 0.000 0.283 1239 N C -0.385 175.160 175.510 0.059 0.000 1.267 1239 N CA -0.538 52.525 53.050 0.022 0.000 0.975 1239 N CB 0.946 39.395 38.487 -0.064 0.000 1.167 1239 N HN 0.547 nan 8.380 nan 0.000 0.581 1240 T N 0.917 115.500 114.554 0.048 0.000 2.861 1240 T HA 0.347 4.695 4.350 -0.003 0.000 0.287 1240 T C -0.823 173.896 174.700 0.031 0.000 1.003 1240 T CA -0.496 61.714 62.100 0.184 0.000 0.977 1240 T CB 1.198 70.285 68.868 0.366 0.000 0.996 1240 T HN 0.332 nan 8.240 nan 0.000 0.448 1241 M N 3.662 123.248 119.600 -0.023 0.000 2.072 1241 M HA 0.516 4.994 4.480 -0.003 0.000 0.331 1241 M C -0.585 175.592 176.300 -0.205 0.000 1.004 1241 M CA -0.733 54.454 55.300 -0.187 0.000 0.952 1241 M CB 0.752 33.191 32.600 -0.269 0.000 1.511 1241 M HN 0.468 nan 8.290 nan 0.000 0.422 1242 R N 4.788 125.060 120.500 -0.380 0.000 2.246 1242 R HA 0.541 4.879 4.340 -0.003 0.000 0.332 1242 R C -1.943 174.066 176.300 -0.484 0.000 0.974 1242 R CA -0.577 55.223 56.100 -0.500 0.000 0.837 1242 R CB 0.840 30.660 30.300 -0.799 0.000 1.145 1242 R HN 0.642 nan 8.270 nan 0.000 0.467 1243 L N 5.360 126.399 121.223 -0.307 0.000 2.307 1243 L HA 0.492 4.830 4.340 -0.003 0.000 0.284 1243 L C -1.035 175.789 176.870 -0.076 0.000 1.023 1243 L CA -0.489 54.288 54.840 -0.105 0.000 0.810 1243 L CB 1.182 43.250 42.059 0.016 0.000 1.231 1243 L HN 0.598 nan 8.230 nan 0.000 0.423 1244 W N 2.109 123.521 121.300 0.187 0.000 2.438 1244 W HA 0.668 5.326 4.660 -0.003 0.000 0.324 1244 W C 0.144 176.910 176.519 0.412 0.000 1.119 1244 W CA -0.352 57.157 57.345 0.274 0.000 1.221 1244 W CB 1.467 30.988 29.460 0.101 0.000 1.253 1244 W HN 0.354 nan 8.180 nan 0.000 0.555 1245 S N 1.376 117.490 115.700 0.689 0.000 2.500 1245 S HA 0.753 5.221 4.470 -0.003 0.000 0.301 1245 S C -0.371 174.552 174.600 0.538 0.000 1.092 1245 S CA -0.824 57.659 58.200 0.473 0.000 1.030 1245 S CB 1.405 64.785 63.200 0.301 0.000 1.031 1245 S HN 0.537 nan 8.310 nan 0.000 0.483 1246 A N 2.473 125.398 122.820 0.175 0.000 2.363 1246 A HA 0.792 5.110 4.320 -0.003 0.000 0.270 1246 A C 0.082 177.736 177.584 0.116 0.000 1.121 1246 A CA -0.269 51.796 52.037 0.046 0.000 0.800 1246 A CB 0.339 19.060 19.000 -0.465 0.000 1.052 1246 A HN 0.711 nan 8.150 nan 0.000 0.493 1247 R N 1.400 121.998 120.500 0.162 0.000 2.698 1247 R HA 0.635 4.973 4.340 -0.003 0.000 0.275 1247 R C -0.609 175.752 176.300 0.102 0.000 1.001 1247 R CA 0.250 56.423 56.100 0.122 0.000 0.896 1247 R CB 1.379 31.769 30.300 0.149 0.000 1.218 1247 R HN 1.084 nan 8.270 nan 0.000 0.462 1248 A N 4.712 127.573 122.820 0.069 0.000 2.388 1248 A HA 0.528 4.846 4.320 -0.003 0.000 0.257 1248 A C -2.093 175.526 177.584 0.058 0.000 1.095 1248 A CA -1.172 50.899 52.037 0.057 0.000 0.791 1248 A CB -0.292 18.729 19.000 0.035 0.000 1.029 1248 A HN 0.683 nan 8.150 nan 0.000 0.489 1263 I N 1.813 122.297 120.570 -0.143 0.000 2.163 1263 I HA -0.248 3.920 4.170 -0.003 0.000 0.243 1263 I C 2.240 178.239 176.117 -0.197 0.000 1.085 1263 I CA 2.300 63.462 61.300 -0.229 0.000 1.347 1263 I CB -1.221 36.759 38.000 -0.033 0.000 1.044 1263 I HN 0.442 nan 8.210 nan 0.000 0.408 1264 Q N 1.180 120.920 119.800 -0.101 0.000 2.096 1264 Q HA -0.121 4.217 4.340 -0.003 0.000 0.204 1264 Q C 2.242 178.185 176.000 -0.094 0.000 0.982 1264 Q CA 2.286 58.045 55.803 -0.073 0.000 0.850 1264 Q CB -0.373 28.345 28.738 -0.034 0.000 0.901 1264 Q HN 0.471 nan 8.270 nan 0.000 0.422 1265 A N -0.709 122.043 122.820 -0.113 0.000 1.902 1265 A HA -0.149 4.169 4.320 -0.003 0.000 0.217 1265 A C 2.277 179.776 177.584 -0.142 0.000 1.181 1265 A CA 1.750 53.727 52.037 -0.100 0.000 0.623 1265 A CB -0.895 18.063 19.000 -0.069 0.000 0.818 1265 A HN 0.270 nan 8.150 nan 0.000 0.443 1266 V N 0.261 120.014 119.914 -0.268 0.000 2.295 1266 V HA -0.259 3.859 4.120 -0.003 0.000 0.246 1266 V C 2.565 178.579 176.094 -0.133 0.000 1.049 1266 V CA 1.938 64.095 62.300 -0.238 0.000 1.024 1266 V CB -0.825 30.770 31.823 -0.380 0.000 0.648 1266 V HN 0.573 nan 8.190 nan 0.000 0.447 1267 L N -0.132 121.016 121.223 -0.125 0.000 2.079 1267 L HA -0.195 4.143 4.340 -0.003 0.000 0.210 1267 L C 2.129 178.970 176.870 -0.048 0.000 1.081 1267 L CA 1.456 56.253 54.840 -0.071 0.000 0.752 1267 L CB -0.790 41.233 42.059 -0.060 0.000 0.896 1267 L HN 0.346 nan 8.230 nan 0.000 0.433 1268 D N 0.017 120.387 120.400 -0.051 0.000 2.392 1268 D HA -0.100 4.538 4.640 -0.003 0.000 0.228 1268 D C 2.107 178.394 176.300 -0.022 0.000 1.003 1268 D CA 0.563 54.545 54.000 -0.031 0.000 0.917 1268 D CB -0.063 40.720 40.800 -0.029 0.000 0.890 1268 D HN 0.268 nan 8.370 nan 0.000 0.532 1269 R N 0.183 120.668 120.500 -0.025 0.000 2.237 1269 R HA -0.001 4.337 4.340 -0.003 0.000 0.219 1269 R C 1.703 178.001 176.300 -0.003 0.000 1.080 1269 R CA 0.527 56.621 56.100 -0.010 0.000 0.995 1269 R CB -0.145 30.148 30.300 -0.010 0.000 0.875 1269 R HN 0.327 nan 8.270 nan 0.000 0.462 1270 N N 0.520 119.216 118.700 -0.007 0.000 2.205 1270 N HA -0.168 4.570 4.740 -0.003 0.000 0.186 1270 N C 1.520 177.029 175.510 -0.002 0.000 1.015 1270 N CA 0.810 53.861 53.050 0.000 0.000 0.862 1270 N CB -0.105 38.383 38.487 0.000 0.000 0.986 1270 N HN 0.166 nan 8.380 nan 0.000 0.429 1271 L N 0.802 122.021 121.223 -0.007 0.000 2.012 1271 L HA -0.189 4.149 4.340 -0.003 0.000 0.210 1271 L C 2.643 179.497 176.870 -0.026 0.000 1.073 1271 L CA 1.217 56.050 54.840 -0.011 0.000 0.748 1271 L CB -0.618 41.436 42.059 -0.008 0.000 0.891 1271 L HN 0.212 nan 8.230 nan 0.000 0.431 1272 A N -0.077 122.731 122.820 -0.020 0.000 1.898 1272 A HA -0.203 4.115 4.320 -0.003 0.000 0.216 1272 A C 2.143 179.691 177.584 -0.059 0.000 1.181 1272 A CA 1.578 53.593 52.037 -0.036 0.000 0.620 1272 A CB -0.465 18.541 19.000 0.009 0.000 0.819 1272 A HN 0.436 nan 8.150 nan 0.000 0.442 1273 E N -0.043 120.142 120.200 -0.025 0.000 2.338 1273 E HA -0.134 4.214 4.350 -0.003 0.000 0.197 1273 E C 1.536 178.121 176.600 -0.025 0.000 1.007 1273 E CA 0.838 57.226 56.400 -0.021 0.000 0.849 1273 E CB -0.284 29.423 29.700 0.012 0.000 0.774 1273 E HN 0.728 nan 8.360 nan 0.000 0.506 1274 N N 0.322 119.009 118.700 -0.021 0.000 2.364 1274 N HA -0.108 4.630 4.740 -0.003 0.000 0.183 1274 N C 1.601 177.105 175.510 -0.011 0.000 1.022 1274 N CA 0.334 53.386 53.050 0.003 0.000 0.883 1274 N CB 0.012 38.501 38.487 0.003 0.000 0.965 1274 N HN 0.157 nan 8.380 nan 0.000 0.438 1275 I N 0.387 120.896 120.570 -0.102 0.000 2.208 1275 I HA -0.227 3.941 4.170 -0.003 0.000 0.245 1275 I C 1.664 177.724 176.117 -0.095 0.000 1.097 1275 I CA 1.121 62.326 61.300 -0.158 0.000 1.363 1275 I CB -0.215 37.554 38.000 -0.384 0.000 1.051 1275 I HN 0.177 nan 8.210 nan 0.000 0.413 1276 S N -0.353 115.272 115.700 -0.124 0.000 2.574 1276 S HA 0.196 4.664 4.470 -0.003 0.000 0.242 1276 S C 1.436 176.152 174.600 0.194 0.000 0.982 1276 S CA -0.599 57.618 58.200 0.027 0.000 0.977 1276 S CB 0.197 63.367 63.200 -0.050 0.000 0.814 1276 S HN 0.253 nan 8.310 nan 0.000 0.464 1277 R N 1.245 121.857 120.500 0.187 0.000 2.062 1277 R HA 0.128 4.466 4.340 -0.003 0.000 0.229 1277 R C -0.058 176.456 176.300 0.358 0.000 1.128 1277 R CA 1.391 57.635 56.100 0.241 0.000 0.960 1277 R CB 0.010 30.418 30.300 0.180 0.000 0.855 1277 R HN 0.426 nan 8.270 nan 0.000 0.432 1278 V N 0.682 120.758 119.914 0.270 0.000 2.925 1278 V HA 0.293 4.411 4.120 -0.003 0.000 0.311 1278 V C -1.017 174.980 176.094 -0.162 0.000 1.104 1278 V CA -1.334 61.038 62.300 0.120 0.000 0.954 1278 V CB 1.723 33.530 31.823 -0.027 0.000 1.022 1278 V HN 0.078 nan 8.190 nan 0.000 0.427 1279 L N 3.194 124.099 121.223 -0.530 0.000 2.367 1279 L HA 0.464 4.802 4.340 -0.003 0.000 0.275 1279 L C -0.591 176.071 176.870 -0.348 0.000 1.129 1279 L CA 0.278 54.568 54.840 -0.916 0.000 0.839 1279 L CB 0.148 41.651 42.059 -0.926 0.000 1.133 1279 L HN 0.617 nan 8.230 nan 0.000 0.453 1280 Y N 7.137 127.327 120.300 -0.183 0.000 2.605 1280 Y HA 0.172 4.720 4.550 -0.003 0.000 0.336 1280 Y C -1.264 174.628 175.900 -0.013 0.000 1.111 1280 Y CA -1.081 56.996 58.100 -0.039 0.000 1.422 1280 Y CB 0.394 38.858 38.460 0.008 0.000 1.193 1280 Y HN 0.588 nan 8.280 nan 0.000 0.526 1281 P HA -0.072 nan 4.420 nan 0.000 0.269 1281 P C -0.814 176.621 177.300 0.225 0.000 1.461 1281 P CA 0.395 63.599 63.100 0.172 0.000 0.809 1281 P CB 0.042 31.920 31.700 0.295 0.000 1.503 1282 N N 1.307 120.152 118.700 0.241 0.000 2.438 1282 N HA 0.145 4.883 4.740 -0.003 0.000 0.282 1282 N C -0.488 175.183 175.510 0.267 0.000 1.037 1282 N CA 0.116 53.339 53.050 0.287 0.000 0.942 1282 N CB 1.310 40.018 38.487 0.369 0.000 1.136 1282 N HN 0.095 nan 8.380 nan 0.000 0.481 1283 D N 1.372 121.958 120.400 0.311 0.000 2.344 1283 D HA 0.181 4.819 4.640 -0.003 0.000 0.239 1283 D C -0.475 176.062 176.300 0.395 0.000 1.064 1283 D CA -0.336 53.846 54.000 0.305 0.000 0.829 1283 D CB 0.424 41.395 40.800 0.285 0.000 1.129 1283 D HN 0.432 nan 8.370 nan 0.000 0.506 1284 N N 2.144 121.038 118.700 0.323 0.000 2.727 1284 N HA -0.267 4.471 4.740 -0.003 0.000 0.249 1284 N C -1.331 174.423 175.510 0.407 0.000 1.048 1284 N CA 0.719 53.949 53.050 0.300 0.000 0.714 1284 N CB -1.048 37.575 38.487 0.227 0.000 0.959 1284 N HN 0.335 nan 8.380 nan 0.000 0.544 1285 F N 0.395 120.459 119.950 0.190 0.000 2.605 1285 F HA 0.459 4.984 4.527 -0.003 0.000 0.320 1285 F C -1.440 174.430 175.800 0.117 0.000 1.159 1285 F CA -1.361 56.717 58.000 0.130 0.000 0.999 1285 F CB 0.824 39.851 39.000 0.045 0.000 1.258 1285 F HN -0.058 nan 8.300 nan 0.000 0.464 1286 F N 5.989 125.416 119.950 -0.871 0.000 2.420 1286 F HA 0.466 4.990 4.527 -0.003 0.000 0.352 1286 F C -0.367 174.818 175.800 -1.025 0.000 1.108 1286 F CA -0.222 57.326 58.000 -0.752 0.000 1.162 1286 F CB 0.847 39.505 39.000 -0.570 0.000 1.118 1286 F HN 0.612 nan 8.300 nan 0.000 0.510 1287 E N 4.045 123.444 120.200 -1.335 0.000 2.207 1287 E HA 0.326 4.674 4.350 -0.003 0.000 0.250 1287 E C 0.026 175.822 176.600 -1.340 0.000 0.890 1287 E CA -0.573 55.252 56.400 -0.958 0.000 0.749 1287 E CB 0.862 30.428 29.700 -0.224 0.000 1.193 1287 E HN 0.925 nan 8.360 nan 0.000 0.423 1288 G N 5.140 113.054 108.800 -1.477 0.000 3.353 1288 G HA2 -0.019 3.939 3.960 -0.003 0.000 0.247 1288 G HA3 -0.019 3.939 3.960 -0.003 0.000 0.247 1288 G C 0.191 175.004 174.900 -0.146 0.000 1.025 1288 G CA -0.144 44.317 45.100 -1.064 0.000 1.863 1288 G HN 0.222 nan 8.290 nan 0.000 0.635 1289 K N 0.391 120.736 120.400 -0.090 0.000 2.218 1289 K HA 0.104 4.422 4.320 -0.003 0.000 0.276 1289 K C 1.064 177.777 176.600 0.188 0.000 1.022 1289 K CA -0.399 55.932 56.287 0.073 0.000 0.946 1289 K CB 1.866 34.410 32.500 0.074 0.000 1.000 1289 K HN 0.450 nan 8.250 nan 0.000 0.468 1290 E N 1.828 122.116 120.200 0.146 0.000 2.118 1290 E HA -0.211 4.137 4.350 -0.003 0.000 0.195 1290 E C 1.569 178.186 176.600 0.028 0.000 0.992 1290 E CA 0.885 57.332 56.400 0.080 0.000 0.804 1290 E CB 0.141 29.890 29.700 0.082 0.000 0.741 1290 E HN 0.409 nan 8.360 nan 0.000 0.458 1291 L N 1.199 122.477 121.223 0.092 0.000 2.083 1291 L HA -0.152 4.186 4.340 -0.003 0.000 0.209 1291 L C 2.388 179.335 176.870 0.128 0.000 1.083 1291 L CA 1.746 56.657 54.840 0.119 0.000 0.752 1291 L CB -0.474 41.722 42.059 0.228 0.000 0.899 1291 L HN 0.009 nan 8.230 nan 0.000 0.433 1292 R N -0.544 119.968 120.500 0.021 0.000 2.075 1292 R HA -0.149 4.189 4.340 -0.003 0.000 0.232 1292 R C 2.126 178.415 176.300 -0.018 0.000 1.126 1292 R CA 1.859 57.882 56.100 -0.127 0.000 0.963 1292 R CB -1.021 28.974 30.300 -0.508 0.000 0.858 1292 R HN 0.406 nan 8.270 nan 0.000 0.435 1293 L N 0.922 122.030 121.223 -0.192 0.000 2.083 1293 L HA -0.093 4.245 4.340 -0.003 0.000 0.209 1293 L C 1.689 178.467 176.870 -0.154 0.000 1.083 1293 L CA 1.892 56.410 54.840 -0.538 0.000 0.752 1293 L CB -0.325 41.199 42.059 -0.893 0.000 0.899 1293 L HN 0.164 nan 8.230 nan 0.000 0.433 1294 K N -1.017 119.353 120.400 -0.050 0.000 2.097 1294 K HA -0.181 4.137 4.320 -0.003 0.000 0.206 1294 K C 2.073 178.816 176.600 0.239 0.000 1.049 1294 K CA 1.691 58.021 56.287 0.071 0.000 0.933 1294 K CB -0.188 32.185 32.500 -0.212 0.000 0.717 1294 K HN 0.524 nan 8.250 nan 0.000 0.442 1295 Q N 0.759 120.670 119.800 0.185 0.000 2.084 1295 Q HA -0.178 4.160 4.340 -0.003 0.000 0.202 1295 Q C 1.973 178.163 176.000 0.317 0.000 0.978 1295 Q CA 1.386 57.358 55.803 0.283 0.000 0.844 1295 Q CB -0.045 28.889 28.738 0.328 0.000 0.898 1295 Q HN 0.394 nan 8.270 nan 0.000 0.426 1296 E N 0.054 120.387 120.200 0.221 0.000 2.058 1296 E HA -0.226 4.122 4.350 -0.003 0.000 0.194 1296 E C 1.822 178.513 176.600 0.152 0.000 0.997 1296 E CA 1.190 57.698 56.400 0.180 0.000 0.801 1296 E CB -0.233 29.535 29.700 0.113 0.000 0.746 1296 E HN 0.326 nan 8.360 nan 0.000 0.450 1297 Y N 0.691 121.016 120.300 0.042 0.000 2.242 1297 Y HA -0.230 4.318 4.550 -0.003 0.000 0.291 1297 Y C 2.001 177.924 175.900 0.037 0.000 1.137 1297 Y CA 1.060 59.139 58.100 -0.034 0.000 1.181 1297 Y CB -0.443 37.967 38.460 -0.084 0.000 0.989 1297 Y HN 0.011 nan 8.280 nan 0.000 0.527 1298 F N 0.201 120.146 119.950 -0.009 0.000 2.043 1298 F HA -0.303 4.222 4.527 -0.003 0.000 0.297 1298 F C 2.255 177.914 175.800 -0.235 0.000 1.121 1298 F CA 2.711 60.670 58.000 -0.069 0.000 1.199 1298 F CB -0.943 38.153 39.000 0.161 0.000 0.968 1298 F HN -0.100 nan 8.300 nan 0.000 0.478 1299 V N -0.669 119.201 119.914 -0.073 0.000 2.287 1299 V HA -0.302 3.816 4.120 -0.003 0.000 0.248 1299 V C 2.420 178.328 176.094 -0.310 0.000 1.053 1299 V CA 1.711 63.913 62.300 -0.164 0.000 1.027 1299 V CB -1.681 30.229 31.823 0.146 0.000 0.646 1299 V HN 0.328 nan 8.190 nan 0.000 0.447 1300 V N 0.628 120.395 119.914 -0.245 0.000 2.287 1300 V HA -0.274 3.844 4.120 -0.003 0.000 0.248 1300 V C 2.904 178.735 176.094 -0.437 0.000 1.053 1300 V CA 2.381 64.524 62.300 -0.263 0.000 1.027 1300 V CB -1.219 30.503 31.823 -0.168 0.000 0.646 1300 V HN 0.591 nan 8.190 nan 0.000 0.447 1301 A N -0.223 122.167 122.820 -0.717 0.000 1.858 1301 A HA -0.133 4.185 4.320 -0.003 0.000 0.216 1301 A C 2.421 179.617 177.584 -0.646 0.000 1.190 1301 A CA 2.261 53.861 52.037 -0.728 0.000 0.617 1301 A CB -0.921 17.431 19.000 -1.080 0.000 0.827 1301 A HN 0.590 nan 8.150 nan 0.000 0.443 1302 A N -1.136 121.139 122.820 -0.910 0.000 1.902 1302 A HA -0.074 4.244 4.320 -0.003 0.000 0.217 1302 A C 2.321 179.364 177.584 -0.903 0.000 1.181 1302 A CA 2.345 53.649 52.037 -1.222 0.000 0.623 1302 A CB -1.309 16.341 19.000 -2.250 0.000 0.818 1302 A HN 0.443 nan 8.150 nan 0.000 0.443 1303 T N 0.595 114.756 114.554 -0.655 0.000 2.643 1303 T HA -0.117 4.231 4.350 -0.003 0.000 0.264 1303 T C 1.853 176.282 174.700 -0.452 0.000 1.045 1303 T CA 1.560 63.422 62.100 -0.396 0.000 1.155 1303 T CB -0.457 68.223 68.868 -0.314 0.000 0.863 1303 T HN 0.354 nan 8.240 nan 0.000 0.420 1304 L N 0.693 121.696 121.223 -0.367 0.000 2.042 1304 L HA -0.167 4.171 4.340 -0.003 0.000 0.210 1304 L C 2.961 179.683 176.870 -0.247 0.000 1.076 1304 L CA 1.453 56.115 54.840 -0.296 0.000 0.749 1304 L CB -0.558 41.367 42.059 -0.223 0.000 0.893 1304 L HN 0.351 nan 8.230 nan 0.000 0.432 1305 Q N -0.163 119.495 119.800 -0.236 0.000 2.084 1305 Q HA -0.268 4.070 4.340 -0.003 0.000 0.202 1305 Q C 1.784 177.747 176.000 -0.061 0.000 0.978 1305 Q CA 2.025 57.743 55.803 -0.140 0.000 0.844 1305 Q CB 0.056 28.704 28.738 -0.149 0.000 0.898 1305 Q HN 0.402 nan 8.270 nan 0.000 0.426 1306 D N -0.099 120.262 120.400 -0.065 0.000 2.144 1306 D HA -0.115 4.523 4.640 -0.003 0.000 0.200 1306 D C 1.695 177.972 176.300 -0.038 0.000 0.978 1306 D CA 0.893 54.934 54.000 0.068 0.000 0.833 1306 D CB -0.029 40.969 40.800 0.330 0.000 0.961 1306 D HN 0.255 nan 8.370 nan 0.000 0.470 1307 I N 0.041 120.475 120.570 -0.228 0.000 2.252 1307 I HA -0.216 3.952 4.170 -0.003 0.000 0.245 1307 I C 2.241 178.377 176.117 0.031 0.000 1.102 1307 I CA 0.703 61.804 61.300 -0.332 0.000 1.385 1307 I CB -0.132 37.483 38.000 -0.642 0.000 1.064 1307 I HN 0.099 nan 8.210 nan 0.000 0.414 1308 I N 0.339 120.964 120.570 0.092 0.000 2.252 1308 I HA -0.298 3.870 4.170 -0.003 0.000 0.245 1308 I C 2.785 179.099 176.117 0.328 0.000 1.102 1308 I CA 1.164 62.631 61.300 0.278 0.000 1.385 1308 I CB -0.381 37.690 38.000 0.119 0.000 1.064 1308 I HN 0.192 nan 8.210 nan 0.000 0.414 1309 R N 1.260 121.883 120.500 0.205 0.000 2.083 1309 R HA -0.249 4.089 4.340 -0.003 0.000 0.237 1309 R C 2.506 178.941 176.300 0.225 0.000 1.137 1309 R CA 1.917 58.144 56.100 0.211 0.000 0.951 1309 R CB -0.314 30.100 30.300 0.190 0.000 0.851 1309 R HN 0.216 nan 8.270 nan 0.000 0.434 1310 R N -0.512 120.101 120.500 0.188 0.000 2.081 1310 R HA -0.186 4.152 4.340 -0.003 0.000 0.235 1310 R C 2.185 178.627 176.300 0.236 0.000 1.131 1310 R CA 1.799 58.007 56.100 0.180 0.000 0.960 1310 R CB -0.479 29.884 30.300 0.106 0.000 0.856 1310 R HN 0.324 nan 8.270 nan 0.000 0.436 1311 F N 1.705 121.749 119.950 0.156 0.000 2.095 1311 F HA -0.169 4.356 4.527 -0.003 0.000 0.298 1311 F C 1.822 177.749 175.800 0.210 0.000 1.104 1311 F CA 1.767 59.856 58.000 0.147 0.000 1.232 1311 F CB -0.101 39.058 39.000 0.265 0.000 0.987 1311 F HN -0.086 nan 8.300 nan 0.000 0.475 1312 K N -0.006 120.534 120.400 0.233 0.000 2.103 1312 K HA -0.101 4.217 4.320 -0.003 0.000 0.207 1312 K C 1.902 178.569 176.600 0.110 0.000 1.048 1312 K CA 1.201 57.589 56.287 0.169 0.000 0.930 1312 K CB -0.454 32.182 32.500 0.225 0.000 0.716 1312 K HN 0.351 nan 8.250 nan 0.000 0.444 1313 A N 1.026 123.933 122.820 0.144 0.000 2.278 1313 A HA 0.006 4.324 4.320 -0.003 0.000 0.212 1313 A C 1.373 179.097 177.584 0.233 0.000 1.213 1313 A CA 0.289 52.426 52.037 0.167 0.000 0.840 1313 A CB -0.125 18.991 19.000 0.192 0.000 0.866 1313 A HN 0.245 nan 8.150 nan 0.000 0.489 1314 S N 0.013 115.797 115.700 0.140 0.000 2.763 1314 S HA 0.175 4.643 4.470 -0.003 0.000 0.237 1314 S C 0.490 175.041 174.600 -0.080 0.000 0.966 1314 S CA 0.109 58.337 58.200 0.048 0.000 1.017 1314 S CB -0.769 62.423 63.200 -0.013 0.000 0.780 1314 S HN 0.522 nan 8.310 nan 0.000 0.476 1315 K N 1.180 121.552 120.400 -0.046 0.000 5.095 1315 K HA -0.229 4.089 4.320 -0.003 0.000 0.311 1315 K C -0.829 175.707 176.600 -0.106 0.000 0.785 1315 K CA 0.576 56.787 56.287 -0.128 0.000 0.935 1315 K CB -1.735 30.687 32.500 -0.130 0.000 1.912 1315 K HN 0.667 nan 8.250 nan 0.000 0.396 1316 F N 0.525 120.344 119.950 -0.218 0.000 2.529 1316 F HA 0.543 5.068 4.527 -0.003 0.000 0.320 1316 F C 0.915 176.628 175.800 -0.146 0.000 1.118 1316 F CA -0.791 57.087 58.000 -0.204 0.000 0.915 1316 F CB 1.366 40.185 39.000 -0.302 0.000 1.161 1316 F HN 0.233 nan 8.300 nan 0.000 0.445 1317 G N 2.941 111.742 108.800 0.003 0.000 2.042 1317 G HA2 -0.016 3.942 3.960 -0.003 0.000 0.249 1317 G HA3 -0.016 3.942 3.960 -0.003 0.000 0.249 1317 G C 0.353 175.135 174.900 -0.197 0.000 0.736 1317 G CA 1.269 46.343 45.100 -0.043 0.000 0.950 1317 G HN 2.034 nan 8.290 nan 0.000 0.402 1318 S N -1.640 113.859 115.700 -0.335 0.000 3.162 1318 S HA -0.141 4.327 4.470 -0.003 0.000 0.840 1318 S C 0.338 174.637 174.600 -0.501 0.000 0.985 1318 S CA 0.840 58.833 58.200 -0.345 0.000 1.295 1318 S CB -0.846 62.249 63.200 -0.175 0.000 1.006 1318 S HN 1.288 nan 8.310 nan 0.000 0.370 1319 T N 7.270 121.477 114.554 -0.578 0.000 3.145 1319 T HA 0.313 4.661 4.350 -0.003 0.000 0.362 1319 T C 1.577 176.148 174.700 -0.214 0.000 1.340 1319 T CA -0.382 61.411 62.100 -0.512 0.000 1.069 1319 T CB 0.618 69.103 68.868 -0.639 0.000 1.129 1319 T HN 0.659 nan 8.240 nan 0.000 0.585 1320 R N 1.809 122.234 120.500 -0.124 0.000 2.446 1320 R HA 0.007 4.345 4.340 -0.003 0.000 0.206 1320 R C 1.492 177.769 176.300 -0.037 0.000 1.011 1320 R CA 2.244 58.309 56.100 -0.059 0.000 0.780 1320 R CB -0.328 29.961 30.300 -0.018 0.000 0.782 1320 R HN 0.729 nan 8.270 nan 0.000 0.428 1321 G N -4.115 104.685 108.800 0.000 0.000 2.565 1321 G HA2 0.353 4.311 3.960 -0.003 0.000 0.142 1321 G HA3 0.353 4.311 3.960 -0.003 0.000 0.142 1321 G C 0.156 175.100 174.900 0.072 0.000 1.181 1321 G CA 0.267 45.384 45.100 0.029 0.000 1.066 1321 G HN 0.511 nan 8.290 nan 0.000 0.530 1322 A N -0.070 122.798 122.820 0.080 0.000 1.534 1322 A HA -0.022 4.296 4.320 -0.003 0.000 0.355 1322 A C 1.818 179.500 177.584 0.163 0.000 4.590 1322 A CA 3.661 55.759 52.037 0.103 0.000 1.005 1322 A CB -1.511 17.534 19.000 0.075 0.000 0.635 1322 A HN 2.512 nan 8.150 nan 0.000 0.506 1323 A N -0.698 122.215 122.820 0.155 0.000 2.280 1323 A HA 0.540 4.858 4.320 -0.003 0.000 0.320 1323 A C 0.787 178.482 177.584 0.184 0.000 1.366 1323 A CA 0.791 52.970 52.037 0.237 0.000 0.938 1323 A CB 0.026 19.113 19.000 0.146 0.000 1.157 1323 A HN 1.511 nan 8.150 nan 0.000 0.536 1324 T N 0.816 115.445 114.554 0.126 0.000 3.722 1324 T HA 0.235 4.583 4.350 -0.003 0.000 0.247 1324 T C 1.119 175.785 174.700 -0.057 0.000 1.004 1324 T CA 0.551 62.583 62.100 -0.113 0.000 0.947 1324 T CB -1.407 67.260 68.868 -0.336 0.000 1.114 1324 T HN 1.485 nan 8.240 nan 0.000 0.633 1325 V N -0.959 119.004 119.914 0.080 0.000 0.449 1325 V HA -0.411 3.707 4.120 -0.003 0.000 0.092 1325 V C 1.515 177.705 176.094 0.161 0.000 2.531 1325 V CA 2.037 64.417 62.300 0.133 0.000 3.708 1325 V CB -2.381 29.559 31.823 0.195 0.000 0.981 1325 V HN 0.674 nan 8.190 nan 0.000 1.031 1326 F N -0.184 119.856 119.950 0.150 0.000 3.033 1326 F HA -0.386 4.139 4.527 -0.003 0.000 0.313 1326 F C 1.345 177.073 175.800 -0.120 0.000 0.733 1326 F CA 1.576 59.503 58.000 -0.122 0.000 0.978 1326 F CB -1.691 37.020 39.000 -0.483 0.000 1.392 1326 F HN 0.436 nan 8.300 nan 0.000 0.350 1327 D N 0.325 120.790 120.400 0.108 0.000 2.133 1327 D HA -0.148 4.490 4.640 -0.003 0.000 0.195 1327 D C 2.168 178.506 176.300 0.062 0.000 0.997 1327 D CA 1.677 55.714 54.000 0.063 0.000 0.840 1327 D CB -0.295 40.552 40.800 0.078 0.000 0.947 1327 D HN 0.464 nan 8.370 nan 0.000 0.452 1328 A N -0.915 121.965 122.820 0.100 0.000 2.251 1328 A HA 0.082 4.400 4.320 -0.003 0.000 0.209 1328 A C 1.597 179.201 177.584 0.032 0.000 1.187 1328 A CA -0.236 51.845 52.037 0.073 0.000 0.823 1328 A CB -0.715 18.344 19.000 0.100 0.000 0.846 1328 A HN 0.183 nan 8.150 nan 0.000 0.486 1329 F N 2.012 121.800 119.950 -0.268 0.000 2.065 1329 F HA -0.123 4.402 4.527 -0.003 0.000 0.298 1329 F C -0.859 174.793 175.800 -0.246 0.000 1.112 1329 F CA 2.248 59.919 58.000 -0.549 0.000 1.212 1329 F CB -0.936 37.746 39.000 -0.530 0.000 0.975 1329 F HN 0.186 nan 8.300 nan 0.000 0.476 1330 P HA -0.101 nan 4.420 nan 0.000 0.222 1330 P C 0.783 177.990 177.300 -0.155 0.000 1.147 1330 P CA 1.638 64.650 63.100 -0.148 0.000 0.790 1330 P CB -0.036 31.623 31.700 -0.068 0.000 0.780 1331 D N -1.584 118.750 120.400 -0.110 0.000 2.348 1331 D HA -0.010 4.628 4.640 -0.003 0.000 0.211 1331 D C 1.689 177.940 176.300 -0.082 0.000 0.998 1331 D CA 0.749 54.705 54.000 -0.074 0.000 0.873 1331 D CB 0.069 40.851 40.800 -0.031 0.000 0.925 1331 D HN 0.204 nan 8.370 nan 0.000 0.524 1332 Q N -0.043 119.679 119.800 -0.130 0.000 2.280 1332 Q HA 0.177 4.515 4.340 -0.003 0.000 0.228 1332 Q C -0.251 175.635 176.000 -0.191 0.000 0.857 1332 Q CA 0.205 55.945 55.803 -0.106 0.000 0.939 1332 Q CB 2.499 31.244 28.738 0.012 0.000 1.114 1332 Q HN 0.042 nan 8.270 nan 0.000 0.514 1333 V N 0.498 120.197 119.914 -0.358 0.000 2.760 1333 V HA 0.770 4.888 4.120 -0.003 0.000 0.309 1333 V C -1.091 174.839 176.094 -0.274 0.000 1.077 1333 V CA -0.946 61.125 62.300 -0.382 0.000 0.910 1333 V CB 1.908 33.174 31.823 -0.928 0.000 1.008 1333 V HN 0.085 nan 8.190 nan 0.000 0.424 1334 A N 5.539 128.284 122.820 -0.126 0.000 2.359 1334 A HA 0.926 5.244 4.320 -0.003 0.000 0.303 1334 A C -1.126 176.461 177.584 0.005 0.000 1.066 1334 A CA -0.414 51.599 52.037 -0.040 0.000 0.730 1334 A CB 1.114 20.118 19.000 0.006 0.000 1.211 1334 A HN 0.752 nan 8.150 nan 0.000 0.439 1335 I N 1.882 122.482 120.570 0.051 0.000 2.410 1335 I HA 0.306 4.474 4.170 -0.003 0.000 0.286 1335 I C -0.413 175.873 176.117 0.282 0.000 1.009 1335 I CA -0.639 60.749 61.300 0.147 0.000 1.111 1335 I CB 2.042 40.087 38.000 0.075 0.000 1.262 1335 I HN 0.686 nan 8.210 nan 0.000 0.443 1336 Q N 5.844 125.795 119.800 0.251 0.000 2.303 1336 Q HA 0.410 4.748 4.340 -0.003 0.000 0.257 1336 Q C -1.272 174.770 176.000 0.071 0.000 0.941 1336 Q CA -0.485 55.479 55.803 0.268 0.000 0.931 1336 Q CB 1.206 30.200 28.738 0.427 0.000 1.215 1336 Q HN 0.441 nan 8.270 nan 0.000 0.437 1337 L N 4.468 125.772 121.223 0.136 0.000 2.295 1337 L HA 0.258 4.596 4.340 -0.003 0.000 0.288 1337 L C -0.197 176.715 176.870 0.070 0.000 1.079 1337 L CA -0.011 54.876 54.840 0.078 0.000 0.830 1337 L CB 0.107 42.221 42.059 0.093 0.000 1.200 1337 L HN 0.598 nan 8.230 nan 0.000 0.438 1338 N N 4.237 122.890 118.700 -0.078 0.000 2.466 1338 N HA 0.079 4.817 4.740 -0.003 0.000 0.263 1338 N C -0.047 175.470 175.510 0.012 0.000 1.178 1338 N CA 0.522 53.562 53.050 -0.017 0.000 0.983 1338 N CB -0.118 38.266 38.487 -0.172 0.000 1.331 1338 N HN 0.561 nan 8.380 nan 0.000 0.500 1339 D N -0.016 120.516 120.400 0.221 0.000 4.808 1339 D HA -0.224 4.414 4.640 -0.003 0.000 0.304 1339 D C 0.352 176.718 176.300 0.111 0.000 2.360 1339 D CA 1.456 55.560 54.000 0.173 0.000 1.222 1339 D CB -0.547 40.069 40.800 -0.308 0.000 1.085 1339 D HN 0.509 nan 8.370 nan 0.000 1.266 1340 T N -2.207 112.372 114.554 0.042 0.000 3.148 1340 T HA 0.058 4.406 4.350 -0.003 0.000 0.253 1340 T C 1.686 176.455 174.700 0.116 0.000 1.134 1340 T CA 1.628 63.715 62.100 -0.021 0.000 1.051 1340 T CB -0.530 68.308 68.868 -0.050 0.000 0.959 1340 T HN 0.515 nan 8.240 nan 0.000 0.525 1341 H N 2.558 121.698 119.070 0.116 0.000 2.390 1341 H HA -0.015 4.539 4.556 -0.003 0.000 0.298 1341 H C -0.776 174.622 175.328 0.116 0.000 1.106 1341 H CA 1.059 57.202 56.048 0.157 0.000 1.297 1341 H CB -0.755 29.109 29.762 0.170 0.000 1.375 1341 H HN 0.457 nan 8.280 nan 0.000 0.509 1342 P HA 0.227 nan 4.420 nan 0.000 0.262 1342 P C 0.600 177.872 177.300 -0.047 0.000 1.651 1342 P CA 0.406 63.547 63.100 0.070 0.000 1.119 1342 P CB 0.521 32.264 31.700 0.071 0.000 1.552 1343 A N 0.887 123.671 122.820 -0.060 0.000 1.986 1343 A HA -0.171 4.147 4.320 -0.003 0.000 0.220 1343 A C 2.060 179.536 177.584 -0.181 0.000 1.171 1343 A CA 1.272 53.206 52.037 -0.172 0.000 0.640 1343 A CB -1.491 17.423 19.000 -0.143 0.000 0.811 1343 A HN 0.235 nan 8.150 nan 0.000 0.451 1344 L N -0.922 120.240 121.223 -0.102 0.000 2.447 1344 L HA -0.217 4.121 4.340 -0.003 0.000 0.225 1344 L C 2.912 179.742 176.870 -0.067 0.000 1.148 1344 L CA 0.568 55.363 54.840 -0.076 0.000 0.808 1344 L CB -0.507 41.523 42.059 -0.049 0.000 0.928 1344 L HN 0.489 nan 8.230 nan 0.000 0.448 1345 A N 0.449 123.174 122.820 -0.159 0.000 1.978 1345 A HA -0.200 4.118 4.320 -0.003 0.000 0.220 1345 A C 2.182 179.612 177.584 -0.256 0.000 1.170 1345 A CA 1.460 53.395 52.037 -0.170 0.000 0.636 1345 A CB -0.455 18.422 19.000 -0.205 0.000 0.810 1345 A HN 0.369 nan 8.150 nan 0.000 0.448 1346 I N 0.313 120.576 120.570 -0.511 0.000 2.113 1346 I HA -0.149 4.019 4.170 -0.003 0.000 0.238 1346 I C -0.334 175.778 176.117 -0.008 0.000 1.070 1346 I CA 1.596 62.683 61.300 -0.355 0.000 1.332 1346 I CB -1.008 36.791 38.000 -0.335 0.000 1.044 1346 I HN 0.253 nan 8.210 nan 0.000 0.402 1347 P HA -0.174 nan 4.420 nan 0.000 0.223 1347 P C 1.181 178.502 177.300 0.035 0.000 1.151 1347 P CA 1.462 64.590 63.100 0.047 0.000 0.787 1347 P CB 0.046 31.783 31.700 0.062 0.000 0.788 1348 E N 0.336 120.609 120.200 0.122 0.000 2.072 1348 E HA -0.126 4.222 4.350 -0.003 0.000 0.190 1348 E C 1.919 178.480 176.600 -0.064 0.000 0.982 1348 E CA 0.578 57.065 56.400 0.145 0.000 0.803 1348 E CB -1.203 28.625 29.700 0.212 0.000 0.755 1348 E HN 0.010 nan 8.360 nan 0.000 0.453 1349 L N 0.002 121.167 121.223 -0.098 0.000 2.056 1349 L HA -0.079 4.259 4.340 -0.003 0.000 0.207 1349 L C 2.099 178.681 176.870 -0.481 0.000 1.078 1349 L CA 1.696 56.306 54.840 -0.383 0.000 0.749 1349 L CB -0.555 41.339 42.059 -0.274 0.000 0.901 1349 L HN 0.216 nan 8.230 nan 0.000 0.433 1350 M N -0.735 118.748 119.600 -0.195 0.000 2.108 1350 M HA -0.237 4.241 4.480 -0.003 0.000 0.261 1350 M C 2.450 178.664 176.300 -0.144 0.000 1.066 1350 M CA 1.620 56.839 55.300 -0.135 0.000 1.107 1350 M CB -1.231 31.318 32.600 -0.084 0.000 1.356 1350 M HN 0.334 nan 8.290 nan 0.000 0.406 1351 R N 0.412 120.815 120.500 -0.162 0.000 2.091 1351 R HA -0.134 4.204 4.340 -0.003 0.000 0.238 1351 R C 2.103 178.332 176.300 -0.119 0.000 1.136 1351 R CA 1.478 57.485 56.100 -0.155 0.000 0.959 1351 R CB -0.244 29.910 30.300 -0.242 0.000 0.856 1351 R HN 0.329 nan 8.270 nan 0.000 0.437 1352 I N -0.179 120.279 120.570 -0.186 0.000 2.202 1352 I HA -0.283 3.885 4.170 -0.003 0.000 0.242 1352 I C 2.103 178.131 176.117 -0.149 0.000 1.091 1352 I CA 1.434 62.616 61.300 -0.197 0.000 1.368 1352 I CB -0.386 37.414 38.000 -0.332 0.000 1.058 1352 I HN 0.194 nan 8.210 nan 0.000 0.410 1353 F N 0.263 120.015 119.950 -0.330 0.000 2.095 1353 F HA -0.243 4.282 4.527 -0.003 0.000 0.298 1353 F C 2.472 178.133 175.800 -0.231 0.000 1.104 1353 F CA 0.943 58.701 58.000 -0.404 0.000 1.232 1353 F CB -0.191 38.551 39.000 -0.430 0.000 0.987 1353 F HN -0.121 nan 8.300 nan 0.000 0.475 1354 V N -0.260 119.679 119.914 0.041 0.000 2.283 1354 V HA -0.222 3.896 4.120 -0.003 0.000 0.239 1354 V C 1.609 177.727 176.094 0.041 0.000 1.035 1354 V CA 1.832 64.156 62.300 0.039 0.000 1.018 1354 V CB -0.513 31.346 31.823 0.060 0.000 0.658 1354 V HN 0.163 nan 8.190 nan 0.000 0.459 1355 D N -0.134 120.279 120.400 0.022 0.000 2.178 1355 D HA -0.026 4.612 4.640 -0.003 0.000 0.202 1355 D C 1.906 178.222 176.300 0.027 0.000 0.974 1355 D CA 1.315 55.331 54.000 0.026 0.000 0.841 1355 D CB 0.107 40.915 40.800 0.014 0.000 0.953 1355 D HN 0.432 nan 8.370 nan 0.000 0.478 1356 I N 0.141 120.721 120.570 0.017 0.000 2.947 1356 I HA -0.016 4.152 4.170 -0.003 0.000 0.263 1356 I C 1.641 177.788 176.117 0.050 0.000 1.130 1356 I CA 0.255 61.572 61.300 0.028 0.000 1.448 1356 I CB 0.217 38.226 38.000 0.015 0.000 1.222 1356 I HN -0.250 nan 8.210 nan 0.000 0.453 1357 E N 1.212 121.438 120.200 0.043 0.000 2.502 1357 E HA -0.033 4.315 4.350 -0.003 0.000 0.194 1357 E C 0.104 176.747 176.600 0.072 0.000 1.062 1357 E CA 0.147 56.597 56.400 0.084 0.000 0.867 1357 E CB 0.094 29.804 29.700 0.017 0.000 0.888 1357 E HN 0.193 nan 8.360 nan 0.000 0.510 1358 K N 0.083 120.513 120.400 0.050 0.000 3.088 1358 K HA -0.195 4.123 4.320 -0.003 0.000 0.273 1358 K C 0.091 176.714 176.600 0.039 0.000 1.111 1358 K CA 0.499 56.816 56.287 0.050 0.000 0.803 1358 K CB -2.502 30.033 32.500 0.058 0.000 1.226 1358 K HN 0.263 nan 8.250 nan 0.000 0.485 1359 L N 1.698 122.924 121.223 0.005 0.000 2.418 1359 L HA 0.269 4.607 4.340 -0.003 0.000 0.265 1359 L C -1.249 175.628 176.870 0.012 0.000 1.143 1359 L CA -1.871 52.951 54.840 -0.030 0.000 0.809 1359 L CB 0.091 42.047 42.059 -0.173 0.000 1.124 1359 L HN -0.107 nan 8.230 nan 0.000 0.456 1360 P HA -0.077 nan 4.420 nan 0.000 0.271 1360 P C 0.109 177.487 177.300 0.129 0.000 1.218 1360 P CA -0.254 62.902 63.100 0.094 0.000 0.780 1360 P CB 0.782 32.532 31.700 0.083 0.000 0.901 1361 W N 3.080 124.399 121.300 0.032 0.000 2.302 1361 W HA -0.296 4.362 4.660 -0.003 0.000 0.320 1361 W C 2.684 179.264 176.519 0.103 0.000 1.241 1361 W CA 3.431 60.808 57.345 0.054 0.000 1.264 1361 W CB -0.944 28.526 29.460 0.016 0.000 1.154 1361 W HN 0.487 nan 8.180 nan 0.000 0.483 1362 S N -0.216 115.726 115.700 0.404 0.000 2.374 1362 S HA -0.309 4.159 4.470 -0.003 0.000 0.227 1362 S C 1.799 176.502 174.600 0.171 0.000 1.037 1362 S CA 1.720 60.114 58.200 0.324 0.000 1.024 1362 S CB -0.665 62.680 63.200 0.241 0.000 0.861 1362 S HN 0.229 nan 8.310 nan 0.000 0.456 1363 K N 2.288 122.734 120.400 0.077 0.000 2.025 1363 K HA 0.249 4.567 4.320 -0.003 0.000 0.207 1363 K C 2.266 178.804 176.600 -0.103 0.000 1.049 1363 K CA 1.387 57.663 56.287 -0.018 0.000 0.933 1363 K CB -1.188 31.280 32.500 -0.053 0.000 0.714 1363 K HN 0.393 nan 8.250 nan 0.000 0.438 1364 A N 0.573 123.310 122.820 -0.138 0.000 1.883 1364 A HA -0.204 4.114 4.320 -0.003 0.000 0.217 1364 A C 2.273 179.852 177.584 -0.009 0.000 1.186 1364 A CA 1.594 53.545 52.037 -0.142 0.000 0.624 1364 A CB -1.285 17.644 19.000 -0.118 0.000 0.822 1364 A HN 0.701 nan 8.150 nan 0.000 0.444 1365 W N 0.734 121.829 121.300 -0.342 0.000 2.363 1365 W HA -0.182 4.476 4.660 -0.003 0.000 0.296 1365 W C 2.087 178.557 176.519 -0.082 0.000 1.212 1365 W CA 1.792 58.961 57.345 -0.293 0.000 1.260 1365 W CB -0.020 29.224 29.460 -0.360 0.000 1.131 1365 W HN 0.645 nan 8.180 nan 0.000 0.530 1366 E N 0.655 120.835 120.200 -0.033 0.000 2.031 1366 E HA -0.259 4.089 4.350 -0.003 0.000 0.193 1366 E C 2.287 178.805 176.600 -0.138 0.000 0.994 1366 E CA 1.775 58.114 56.400 -0.103 0.000 0.800 1366 E CB -0.758 28.930 29.700 -0.021 0.000 0.752 1366 E HN 0.305 nan 8.360 nan 0.000 0.447 1367 L N 0.619 121.783 121.223 -0.099 0.000 2.131 1367 L HA -0.153 4.185 4.340 -0.003 0.000 0.210 1367 L C 2.721 179.600 176.870 0.016 0.000 1.092 1367 L CA 1.479 56.292 54.840 -0.045 0.000 0.759 1367 L CB -0.587 41.391 42.059 -0.137 0.000 0.903 1367 L HN 0.221 nan 8.230 nan 0.000 0.435 1368 T N -0.741 113.808 114.554 -0.008 0.000 2.674 1368 T HA -0.226 4.122 4.350 -0.003 0.000 0.265 1368 T C 1.916 176.545 174.700 -0.118 0.000 1.039 1368 T CA 1.400 63.478 62.100 -0.036 0.000 1.150 1368 T CB -0.165 68.690 68.868 -0.023 0.000 0.864 1368 T HN 0.389 nan 8.240 nan 0.000 0.427 1369 Q N 0.633 120.227 119.800 -0.344 0.000 2.124 1369 Q HA -0.064 4.274 4.340 -0.003 0.000 0.202 1369 Q C 2.309 178.298 176.000 -0.018 0.000 0.977 1369 Q CA 1.184 56.834 55.803 -0.255 0.000 0.850 1369 Q CB -0.146 28.345 28.738 -0.412 0.000 0.901 1369 Q HN 0.455 nan 8.270 nan 0.000 0.429 1370 K N -0.307 120.040 120.400 -0.089 0.000 2.283 1370 K HA -0.053 4.265 4.320 -0.003 0.000 0.202 1370 K C 1.914 178.467 176.600 -0.079 0.000 1.048 1370 K CA 1.301 57.507 56.287 -0.136 0.000 0.948 1370 K CB 0.115 32.525 32.500 -0.149 0.000 0.742 1370 K HN 0.154 nan 8.250 nan 0.000 0.458 1371 T N 0.434 114.946 114.554 -0.071 0.000 2.852 1371 T HA 0.047 4.395 4.350 -0.003 0.000 0.256 1371 T C 0.515 175.130 174.700 -0.141 0.000 1.038 1371 T CA 0.688 62.673 62.100 -0.192 0.000 1.141 1371 T CB -0.041 68.587 68.868 -0.400 0.000 0.869 1371 T HN -0.037 nan 8.240 nan 0.000 0.439 1372 F N 1.302 121.317 119.950 0.108 0.000 2.375 1372 F HA 0.603 5.128 4.527 -0.003 0.000 0.333 1372 F C 0.427 176.240 175.800 0.021 0.000 1.104 1372 F CA -1.113 56.927 58.000 0.068 0.000 1.149 1372 F CB 0.803 39.793 39.000 -0.016 0.000 1.190 1372 F HN 0.032 nan 8.300 nan 0.000 0.533 1373 A N 2.677 125.639 122.820 0.237 0.000 2.455 1373 A HA 0.603 4.921 4.320 -0.003 0.000 0.300 1373 A C -2.227 175.445 177.584 0.147 0.000 1.040 1373 A CA -0.574 51.470 52.037 0.011 0.000 0.697 1373 A CB 1.065 20.061 19.000 -0.007 0.000 1.265 1373 A HN 0.662 nan 8.150 nan 0.000 0.407 1374 Y N 1.341 121.579 120.300 -0.103 0.000 2.364 1374 Y HA 0.688 5.236 4.550 -0.003 0.000 0.340 1374 Y C -0.466 175.388 175.900 -0.077 0.000 0.975 1374 Y CA -0.650 57.395 58.100 -0.093 0.000 1.089 1374 Y CB 1.926 40.281 38.460 -0.176 0.000 1.192 1374 Y HN 0.533 nan 8.280 nan 0.000 0.454 1375 T N 7.036 121.429 114.554 -0.268 0.000 2.758 1375 T HA 0.206 4.554 4.350 -0.003 0.000 0.285 1375 T C -0.699 173.612 174.700 -0.649 0.000 0.981 1375 T CA -0.774 61.081 62.100 -0.408 0.000 0.965 1375 T CB 0.183 69.023 68.868 -0.047 0.000 0.927 1375 T HN 0.644 nan 8.240 nan 0.000 0.448 1376 N N 2.130 120.397 118.700 -0.721 0.000 2.419 1376 N HA 0.080 4.818 4.740 -0.003 0.000 0.264 1376 N C 0.098 175.574 175.510 -0.058 0.000 1.031 1376 N CA -0.206 52.654 53.050 -0.317 0.000 0.951 1376 N CB 0.593 38.996 38.487 -0.140 0.000 1.101 1376 N HN 0.657 nan 8.380 nan 0.000 0.488 1377 H N 1.752 120.873 119.070 0.084 0.000 2.542 1377 H HA 0.176 4.730 4.556 -0.003 0.000 0.283 1377 H C -0.243 175.054 175.328 -0.052 0.000 1.059 1377 H CA 0.009 56.066 56.048 0.016 0.000 1.162 1377 H CB 0.888 30.652 29.762 0.004 0.000 1.539 1377 H HN 0.508 nan 8.280 nan 0.000 0.543 1378 T N -0.287 114.350 114.554 0.140 0.000 3.230 1378 T HA 0.113 4.461 4.350 -0.003 0.000 0.390 1378 T C -0.053 174.727 174.700 0.133 0.000 1.761 1378 T CA -0.495 61.637 62.100 0.053 0.000 1.129 1378 T CB 0.846 69.723 68.868 0.016 0.000 1.583 1378 T HN -0.117 nan 8.240 nan 0.000 0.480 1379 V N 4.072 124.027 119.914 0.068 0.000 3.427 1379 V HA 0.378 4.496 4.120 -0.003 0.000 0.305 1379 V C 0.759 176.841 176.094 -0.020 0.000 1.412 1379 V CA -0.090 62.231 62.300 0.036 0.000 1.086 1379 V CB -0.030 31.814 31.823 0.036 0.000 0.964 1379 V HN 0.668 nan 8.190 nan 0.000 0.439 1380 L N 2.210 123.402 121.223 -0.051 0.000 2.418 1380 L HA 0.151 4.489 4.340 -0.003 0.000 0.274 1380 L C -1.049 175.829 176.870 0.014 0.000 1.135 1380 L CA -1.170 53.649 54.840 -0.035 0.000 0.870 1380 L CB 0.748 42.739 42.059 -0.113 0.000 1.154 1380 L HN 0.083 nan 8.230 nan 0.000 0.462 1381 P HA -0.253 nan 4.420 nan 0.000 0.215 1381 P C 1.241 178.555 177.300 0.024 0.000 1.163 1381 P CA 1.230 64.338 63.100 0.013 0.000 0.894 1381 P CB 0.069 31.778 31.700 0.016 0.000 0.791 1382 E N -0.169 120.082 120.200 0.085 0.000 2.401 1382 E HA -0.134 4.214 4.350 -0.003 0.000 0.199 1382 E C 1.593 178.209 176.600 0.027 0.000 1.023 1382 E CA 1.550 58.009 56.400 0.097 0.000 0.859 1382 E CB -0.921 28.940 29.700 0.269 0.000 0.780 1382 E HN 0.218 nan 8.360 nan 0.000 0.523 1383 A N 1.372 124.227 122.820 0.058 0.000 2.081 1383 A HA 0.197 4.515 4.320 -0.003 0.000 0.214 1383 A C 1.455 179.039 177.584 -0.000 0.000 1.158 1383 A CA -0.279 51.796 52.037 0.062 0.000 0.724 1383 A CB -0.200 18.859 19.000 0.099 0.000 0.826 1383 A HN 0.174 nan 8.150 nan 0.000 0.463 1384 L N 1.610 122.792 121.223 -0.069 0.000 2.499 1384 L HA 0.056 4.394 4.340 -0.003 0.000 0.273 1384 L C 0.091 176.649 176.870 -0.521 0.000 1.195 1384 L CA 0.051 54.784 54.840 -0.178 0.000 0.882 1384 L CB 0.151 42.124 42.059 -0.142 0.000 1.133 1384 L HN 0.334 nan 8.230 nan 0.000 0.483 1385 E N 4.348 124.157 120.200 -0.652 0.000 2.223 1385 E HA 0.257 4.605 4.350 -0.003 0.000 0.282 1385 E C -0.573 175.376 176.600 -1.085 0.000 1.046 1385 E CA -0.242 55.312 56.400 -1.410 0.000 0.857 1385 E CB 0.767 30.031 29.700 -0.728 0.000 1.055 1385 E HN 0.424 nan 8.360 nan 0.000 0.409 1386 R N 3.846 123.514 120.500 -1.387 0.000 2.680 1386 R HA 0.177 4.515 4.340 -0.003 0.000 0.278 1386 R C -1.379 174.682 176.300 -0.398 0.000 1.582 1386 R CA -0.563 55.180 56.100 -0.594 0.000 1.177 1386 R CB 0.704 30.794 30.300 -0.350 0.000 1.232 1386 R HN 0.419 nan 8.270 nan 0.000 0.528 1387 W N 4.746 125.985 121.300 -0.101 0.000 2.287 1387 W HA 0.249 4.907 4.660 -0.003 0.000 0.313 1387 W C -1.761 174.770 176.519 0.020 0.000 1.267 1387 W CA -1.932 55.439 57.345 0.043 0.000 1.201 1387 W CB 0.525 30.001 29.460 0.026 0.000 1.196 1387 W HN 0.225 nan 8.180 nan 0.000 0.536 1388 P HA -0.073 nan 4.420 nan 0.000 0.271 1388 P C 0.763 178.154 177.300 0.153 0.000 1.216 1388 P CA 0.155 63.356 63.100 0.169 0.000 0.771 1388 P CB 1.319 33.108 31.700 0.149 0.000 0.864 1389 V N 0.859 120.838 119.914 0.108 0.000 2.332 1389 V HA -0.275 3.843 4.120 -0.003 0.000 0.248 1389 V C 1.543 177.680 176.094 0.072 0.000 1.055 1389 V CA 2.177 64.522 62.300 0.074 0.000 1.038 1389 V CB -1.592 30.294 31.823 0.105 0.000 0.651 1389 V HN 0.264 nan 8.190 nan 0.000 0.450 1390 D N 0.494 120.948 120.400 0.090 0.000 2.116 1390 D HA -0.188 4.450 4.640 -0.003 0.000 0.193 1390 D C 1.963 178.312 176.300 0.081 0.000 0.998 1390 D CA 1.982 56.032 54.000 0.084 0.000 0.836 1390 D CB -0.500 40.351 40.800 0.084 0.000 0.951 1390 D HN 0.517 nan 8.370 nan 0.000 0.449 1391 L N 0.398 121.678 121.223 0.095 0.000 1.994 1391 L HA -0.156 4.182 4.340 -0.003 0.000 0.208 1391 L C 2.288 179.172 176.870 0.023 0.000 1.071 1391 L CA 1.301 56.195 54.840 0.089 0.000 0.745 1391 L CB -0.406 41.739 42.059 0.144 0.000 0.892 1391 L HN -0.084 nan 8.230 nan 0.000 0.431 1392 V N -0.265 119.644 119.914 -0.010 0.000 2.407 1392 V HA -0.313 3.805 4.120 -0.003 0.000 0.248 1392 V C 2.541 178.580 176.094 -0.092 0.000 1.055 1392 V CA 1.973 64.210 62.300 -0.106 0.000 1.049 1392 V CB -0.754 30.992 31.823 -0.127 0.000 0.662 1392 V HN 0.617 nan 8.190 nan 0.000 0.455 1393 E N 0.452 120.634 120.200 -0.030 0.000 2.077 1393 E HA -0.292 4.056 4.350 -0.003 0.000 0.193 1393 E C 2.322 178.939 176.600 0.029 0.000 0.989 1393 E CA 1.683 58.079 56.400 -0.007 0.000 0.800 1393 E CB -0.106 29.621 29.700 0.045 0.000 0.746 1393 E HN 0.593 nan 8.360 nan 0.000 0.452 1394 K N -0.013 120.431 120.400 0.072 0.000 2.057 1394 K HA -0.148 4.170 4.320 -0.003 0.000 0.206 1394 K C 2.226 178.956 176.600 0.217 0.000 1.050 1394 K CA 1.070 57.456 56.287 0.165 0.000 0.935 1394 K CB -0.048 32.568 32.500 0.193 0.000 0.715 1394 K HN 0.162 nan 8.250 nan 0.000 0.439 1395 L N 0.556 121.801 121.223 0.037 0.000 2.127 1395 L HA 0.124 4.462 4.340 -0.003 0.000 0.203 1395 L C 0.525 177.325 176.870 -0.117 0.000 1.080 1395 L CA 1.300 56.038 54.840 -0.171 0.000 0.768 1395 L CB 0.323 42.232 42.059 -0.251 0.000 0.924 1395 L HN 0.084 nan 8.230 nan 0.000 0.444 1396 L N 0.982 122.084 121.223 -0.202 0.000 2.678 1396 L HA 0.303 4.641 4.340 -0.003 0.000 0.250 1396 L C -1.627 175.024 176.870 -0.365 0.000 1.455 1396 L CA -1.043 53.569 54.840 -0.381 0.000 0.823 1396 L CB 0.622 42.326 42.059 -0.592 0.000 1.107 1396 L HN -0.027 nan 8.230 nan 0.000 0.514 1397 P HA -0.248 nan 4.420 nan 0.000 0.216 1397 P C 1.448 178.525 177.300 -0.371 0.000 1.157 1397 P CA 1.333 64.278 63.100 -0.258 0.000 0.880 1397 P CB 0.360 31.972 31.700 -0.146 0.000 0.791 1398 R N -0.213 119.870 120.500 -0.695 0.000 2.115 1398 R HA -0.144 4.194 4.340 -0.003 0.000 0.230 1398 R C 2.251 178.235 176.300 -0.527 0.000 1.111 1398 R CA 1.633 57.356 56.100 -0.627 0.000 0.976 1398 R CB -1.720 28.055 30.300 -0.876 0.000 0.870 1398 R HN 0.291 nan 8.270 nan 0.000 0.445 1399 H N -0.874 117.871 119.070 -0.542 0.000 2.428 1399 H HA 0.001 4.555 4.556 -0.003 0.000 0.296 1399 H C 1.460 176.608 175.328 -0.300 0.000 1.062 1399 H CA 1.304 57.124 56.048 -0.379 0.000 1.350 1399 H CB -0.066 29.441 29.762 -0.426 0.000 1.403 1399 H HN 0.107 nan 8.280 nan 0.000 0.533 1400 L N 1.082 122.177 121.223 -0.213 0.000 2.093 1400 L HA -0.110 4.228 4.340 -0.003 0.000 0.208 1400 L C 1.775 178.473 176.870 -0.286 0.000 1.085 1400 L CA 1.675 56.332 54.840 -0.306 0.000 0.755 1400 L CB -0.355 41.548 42.059 -0.259 0.000 0.904 1400 L HN 0.236 nan 8.230 nan 0.000 0.435 1401 E N -0.303 119.834 120.200 -0.105 0.000 2.051 1401 E HA -0.230 4.118 4.350 -0.003 0.000 0.192 1401 E C 2.274 178.888 176.600 0.024 0.000 0.991 1401 E CA 1.749 58.176 56.400 0.045 0.000 0.799 1401 E CB -0.252 29.467 29.700 0.033 0.000 0.748 1401 E HN 0.550 nan 8.360 nan 0.000 0.449 1402 I N 1.054 121.599 120.570 -0.041 0.000 2.361 1402 I HA -0.268 3.900 4.170 -0.003 0.000 0.251 1402 I C 2.346 178.478 176.117 0.025 0.000 1.133 1402 I CA 0.983 62.298 61.300 0.025 0.000 1.413 1402 I CB -0.196 37.778 38.000 -0.044 0.000 1.073 1402 I HN 0.130 nan 8.210 nan 0.000 0.424 1403 I N -0.561 119.967 120.570 -0.070 0.000 2.353 1403 I HA -0.287 3.881 4.170 -0.003 0.000 0.248 1403 I C 2.404 178.502 176.117 -0.031 0.000 1.119 1403 I CA 1.315 62.562 61.300 -0.089 0.000 1.417 1403 I CB -0.337 37.546 38.000 -0.195 0.000 1.078 1403 I HN 0.139 nan 8.210 nan 0.000 0.421 1404 Y N 0.930 121.222 120.300 -0.014 0.000 2.224 1404 Y HA -0.254 4.294 4.550 -0.003 0.000 0.289 1404 Y C 2.584 178.448 175.900 -0.061 0.000 1.146 1404 Y CA 1.385 59.469 58.100 -0.026 0.000 1.182 1404 Y CB -0.655 37.783 38.460 -0.035 0.000 0.983 1404 Y HN 0.167 nan 8.280 nan 0.000 0.524 1405 E N 0.475 120.720 120.200 0.075 0.000 2.072 1405 E HA -0.133 4.215 4.350 -0.003 0.000 0.191 1405 E C 2.063 178.576 176.600 -0.144 0.000 0.985 1405 E CA 1.233 57.566 56.400 -0.113 0.000 0.801 1405 E CB -0.531 29.058 29.700 -0.185 0.000 0.750 1405 E HN 0.477 nan 8.360 nan 0.000 0.452 1406 I N 0.599 121.162 120.570 -0.012 0.000 2.179 1406 I HA -0.276 3.892 4.170 -0.003 0.000 0.242 1406 I C 2.244 178.351 176.117 -0.017 0.000 1.088 1406 I CA 1.362 62.607 61.300 -0.092 0.000 1.357 1406 I CB -0.409 37.506 38.000 -0.142 0.000 1.051 1406 I HN 0.196 nan 8.210 nan 0.000 0.409 1407 N N 0.706 119.444 118.700 0.064 0.000 2.084 1407 N HA -0.260 4.478 4.740 -0.003 0.000 0.190 1407 N C 1.824 177.404 175.510 0.116 0.000 1.030 1407 N CA 1.495 54.641 53.050 0.159 0.000 0.849 1407 N CB -0.143 38.455 38.487 0.186 0.000 1.012 1407 N HN 0.173 nan 8.380 nan 0.000 0.423 1408 Q N 0.736 120.554 119.800 0.030 0.000 2.045 1408 Q HA -0.111 4.227 4.340 -0.003 0.000 0.206 1408 Q C 1.550 177.518 176.000 -0.054 0.000 0.991 1408 Q CA 1.770 57.552 55.803 -0.035 0.000 0.851 1408 Q CB -0.135 28.544 28.738 -0.097 0.000 0.911 1408 Q HN 0.175 nan 8.270 nan 0.000 0.418 1409 K N -0.509 119.832 120.400 -0.098 0.000 2.147 1409 K HA -0.168 4.150 4.320 -0.003 0.000 0.205 1409 K C 2.131 178.761 176.600 0.050 0.000 1.049 1409 K CA 1.493 57.733 56.287 -0.079 0.000 0.936 1409 K CB -0.647 31.751 32.500 -0.170 0.000 0.722 1409 K HN 0.581 nan 8.250 nan 0.000 0.446 1410 H N 0.851 119.918 119.070 -0.006 0.000 2.293 1410 H HA -0.019 4.535 4.556 -0.003 0.000 0.300 1410 H C 2.071 177.422 175.328 0.037 0.000 1.082 1410 H CA 1.382 57.465 56.048 0.060 0.000 1.308 1410 H CB 0.105 29.922 29.762 0.093 0.000 1.375 1410 H HN 0.026 nan 8.280 nan 0.000 0.495 1411 L N 0.631 121.764 121.223 -0.150 0.000 2.056 1411 L HA -0.177 4.161 4.340 -0.003 0.000 0.207 1411 L C 2.430 179.227 176.870 -0.122 0.000 1.078 1411 L CA 1.049 55.759 54.840 -0.217 0.000 0.749 1411 L CB -0.474 41.525 42.059 -0.100 0.000 0.901 1411 L HN 0.299 nan 8.230 nan 0.000 0.433 1412 D N 0.059 120.419 120.400 -0.066 0.000 2.133 1412 D HA -0.202 4.436 4.640 -0.003 0.000 0.192 1412 D C 2.355 178.641 176.300 -0.024 0.000 1.001 1412 D CA 1.185 55.160 54.000 -0.042 0.000 0.844 1412 D CB -0.205 40.572 40.800 -0.039 0.000 0.944 1412 D HN 0.146 nan 8.370 nan 0.000 0.447 1413 R N 0.375 120.869 120.500 -0.010 0.000 2.073 1413 R HA -0.049 4.289 4.340 -0.003 0.000 0.234 1413 R C 2.660 178.984 176.300 0.039 0.000 1.134 1413 R CA 0.402 56.518 56.100 0.027 0.000 0.952 1413 R CB -0.958 29.385 30.300 0.071 0.000 0.850 1413 R HN 0.356 nan 8.270 nan 0.000 0.433 1414 I N 0.297 120.855 120.570 -0.021 0.000 2.163 1414 I HA -0.279 3.889 4.170 -0.003 0.000 0.243 1414 I C 2.421 178.620 176.117 0.137 0.000 1.085 1414 I CA 1.178 62.501 61.300 0.038 0.000 1.347 1414 I CB -0.411 37.471 38.000 -0.198 0.000 1.044 1414 I HN -0.093 nan 8.210 nan 0.000 0.408 1415 V N 1.002 120.935 119.914 0.031 0.000 2.332 1415 V HA -0.328 3.790 4.120 -0.003 0.000 0.248 1415 V C 2.712 178.834 176.094 0.047 0.000 1.055 1415 V CA 2.078 64.402 62.300 0.039 0.000 1.038 1415 V CB -0.898 30.922 31.823 -0.004 0.000 0.651 1415 V HN 0.526 nan 8.190 nan 0.000 0.450 1416 A N -0.597 122.241 122.820 0.030 0.000 1.933 1416 A HA -0.149 4.169 4.320 -0.003 0.000 0.218 1416 A C 2.146 179.719 177.584 -0.018 0.000 1.175 1416 A CA 1.820 53.861 52.037 0.007 0.000 0.628 1416 A CB -0.412 18.593 19.000 0.008 0.000 0.814 1416 A HN 0.537 nan 8.150 nan 0.000 0.444 1417 L N -2.738 118.491 121.223 0.010 0.000 2.307 1417 L HA 0.133 4.471 4.340 -0.003 0.000 0.211 1417 L C -0.069 176.510 176.870 -0.485 0.000 1.099 1417 L CA 0.327 55.054 54.840 -0.189 0.000 0.816 1417 L CB 0.089 42.090 42.059 -0.097 0.000 0.952 1417 L HN 0.333 nan 8.230 nan 0.000 0.455 1418 F N -1.060 118.864 119.950 -0.043 0.000 2.622 1418 F HA 0.339 4.864 4.527 -0.004 0.000 0.338 1418 F C -1.768 174.009 175.800 -0.040 0.000 1.334 1418 F CA -2.062 55.913 58.000 -0.042 0.000 1.179 1418 F CB 0.201 39.170 39.000 -0.053 0.000 1.471 1418 F HN -0.226 nan 8.300 nan 0.000 0.576 1419 P HA -0.197 nan 4.420 nan 0.000 0.217 1419 P C 0.506 177.832 177.300 0.044 0.000 1.151 1419 P CA 1.558 64.678 63.100 0.035 0.000 0.849 1419 P CB 0.195 31.894 31.700 -0.001 0.000 0.787 1420 K N -0.806 119.628 120.400 0.056 0.000 2.814 1420 K HA 0.179 4.497 4.320 -0.003 0.000 0.213 1420 K C -0.230 176.405 176.600 0.059 0.000 1.113 1420 K CA 0.123 56.437 56.287 0.045 0.000 1.145 1420 K CB -0.411 32.108 32.500 0.030 0.000 0.948 1420 K HN -0.061 nan 8.250 nan 0.000 0.464 1421 D N 0.831 121.273 120.400 0.071 0.000 2.552 1421 D HA 0.001 4.639 4.640 -0.003 0.000 0.285 1421 D C 0.987 177.283 176.300 -0.007 0.000 1.206 1421 D CA -0.292 53.731 54.000 0.037 0.000 0.826 1421 D CB 0.695 41.526 40.800 0.052 0.000 1.179 1421 D HN -0.016 nan 8.370 nan 0.000 0.508 1422 V N 0.863 120.774 119.914 -0.006 0.000 2.255 1422 V HA -0.193 3.925 4.120 -0.003 0.000 0.247 1422 V C 1.754 177.830 176.094 -0.031 0.000 1.051 1422 V CA 2.255 64.545 62.300 -0.016 0.000 1.018 1422 V CB -0.575 31.243 31.823 -0.008 0.000 0.641 1422 V HN 0.293 nan 8.190 nan 0.000 0.445 1423 D N 0.238 120.621 120.400 -0.028 0.000 2.221 1423 D HA -0.257 4.381 4.640 -0.003 0.000 0.204 1423 D C 2.296 178.562 176.300 -0.056 0.000 0.982 1423 D CA 1.656 55.639 54.000 -0.029 0.000 0.857 1423 D CB -0.349 40.438 40.800 -0.021 0.000 0.934 1423 D HN 0.586 nan 8.370 nan 0.000 0.475 1424 R N -0.211 120.231 120.500 -0.098 0.000 2.120 1424 R HA -0.105 4.233 4.340 -0.003 0.000 0.234 1424 R C 2.195 178.395 176.300 -0.166 0.000 1.123 1424 R CA 0.907 56.902 56.100 -0.175 0.000 0.975 1424 R CB -0.228 29.893 30.300 -0.298 0.000 0.866 1424 R HN 0.286 nan 8.270 nan 0.000 0.446 1425 L N 1.016 122.168 121.223 -0.119 0.000 2.017 1425 L HA -0.192 4.146 4.340 -0.003 0.000 0.208 1425 L C 2.665 179.513 176.870 -0.036 0.000 1.073 1425 L CA 1.540 56.322 54.840 -0.097 0.000 0.745 1425 L CB -0.501 41.519 42.059 -0.065 0.000 0.894 1425 L HN 0.291 nan 8.230 nan 0.000 0.432 1426 R N 0.184 120.679 120.500 -0.008 0.000 2.148 1426 R HA -0.143 4.195 4.340 -0.003 0.000 0.227 1426 R C 2.147 178.493 176.300 0.077 0.000 1.103 1426 R CA 0.990 57.113 56.100 0.038 0.000 0.983 1426 R CB -0.569 29.750 30.300 0.032 0.000 0.874 1426 R HN 0.357 nan 8.270 nan 0.000 0.451 1427 R N 0.511 121.036 120.500 0.042 0.000 2.090 1427 R HA 0.137 4.475 4.340 -0.003 0.000 0.228 1427 R C 2.118 178.509 176.300 0.151 0.000 1.110 1427 R CA 1.394 57.549 56.100 0.091 0.000 0.973 1427 R CB -0.011 30.297 30.300 0.013 0.000 0.869 1427 R HN 0.193 nan 8.270 nan 0.000 0.440 1428 M N -0.355 119.242 119.600 -0.005 0.000 2.441 1428 M HA 0.096 4.574 4.480 -0.003 0.000 0.244 1428 M C 0.696 177.128 176.300 0.221 0.000 1.122 1428 M CA -0.108 55.141 55.300 -0.085 0.000 1.041 1428 M CB 0.764 33.103 32.600 -0.434 0.000 1.438 1428 M HN -0.068 nan 8.290 nan 0.000 0.484 1429 S N 0.923 116.764 115.700 0.234 0.000 2.573 1429 S HA 0.154 4.622 4.470 -0.003 0.000 0.277 1429 S C 1.012 175.876 174.600 0.439 0.000 1.346 1429 S CA -0.309 58.070 58.200 0.298 0.000 1.034 1429 S CB 0.675 63.989 63.200 0.191 0.000 0.879 1429 S HN 0.397 nan 8.310 nan 0.000 0.528 1430 L N 2.807 124.238 121.223 0.346 0.000 2.492 1430 L HA 0.225 4.563 4.340 -0.003 0.000 0.223 1430 L C -0.045 176.936 176.870 0.186 0.000 1.132 1430 L CA 0.219 55.229 54.840 0.283 0.000 0.850 1430 L CB -0.218 41.943 42.059 0.169 0.000 0.966 1430 L HN 0.498 nan 8.230 nan 0.000 0.454 1431 I N 0.373 121.059 120.570 0.193 0.000 2.404 1431 I HA 0.227 4.395 4.170 -0.003 0.000 0.293 1431 I C 0.004 176.200 176.117 0.130 0.000 0.992 1431 I CA -0.369 61.022 61.300 0.151 0.000 1.149 1431 I CB 1.678 39.795 38.000 0.195 0.000 1.315 1431 I HN 0.078 nan 8.210 nan 0.000 0.446 1432 E N 4.826 125.081 120.200 0.091 0.000 2.063 1432 E HA 0.246 4.594 4.350 -0.003 0.000 0.265 1432 E C -0.014 176.626 176.600 0.067 0.000 0.919 1432 E CA -0.242 56.201 56.400 0.072 0.000 0.756 1432 E CB 1.462 31.185 29.700 0.039 0.000 1.120 1432 E HN 0.446 nan 8.360 nan 0.000 0.414 1433 E N 1.595 121.835 120.200 0.067 0.000 2.158 1433 E HA -0.086 4.262 4.350 -0.003 0.000 0.191 1433 E C -0.361 176.265 176.600 0.044 0.000 0.982 1433 E CA 0.476 56.911 56.400 0.057 0.000 0.823 1433 E CB 0.152 29.881 29.700 0.048 0.000 0.766 1433 E HN 0.414 nan 8.360 nan 0.000 0.468 1434 E N 0.771 120.995 120.200 0.039 0.000 2.829 1434 E HA 0.101 4.449 4.350 -0.003 0.000 0.264 1434 E C 1.074 177.693 176.600 0.031 0.000 0.922 1434 E CA 0.927 57.346 56.400 0.031 0.000 0.960 1434 E CB -0.598 29.119 29.700 0.029 0.000 0.918 1434 E HN 0.268 nan 8.360 nan 0.000 0.497 1435 G N 3.431 112.248 108.800 0.028 0.000 2.568 1435 G HA2 -0.365 3.593 3.960 -0.003 0.000 0.334 1435 G HA3 -0.365 3.593 3.960 -0.003 0.000 0.334 1435 G C -0.204 174.718 174.900 0.035 0.000 1.348 1435 G CA 0.126 45.244 45.100 0.029 0.000 0.949 1435 G HN 0.787 nan 8.290 nan 0.000 0.532 1436 S N 0.600 116.322 115.700 0.037 0.000 2.810 1436 S HA 0.153 4.621 4.470 -0.003 0.000 0.329 1436 S C 0.616 175.247 174.600 0.051 0.000 1.231 1436 S CA 0.796 59.023 58.200 0.045 0.000 1.042 1436 S CB 0.367 63.594 63.200 0.045 0.000 0.756 1436 S HN 0.633 nan 8.310 nan 0.000 0.504 1437 K N 2.732 123.170 120.400 0.064 0.000 2.249 1437 K HA 0.412 4.730 4.320 -0.003 0.000 0.280 1437 K C 0.267 176.914 176.600 0.078 0.000 1.033 1437 K CA -0.146 56.186 56.287 0.075 0.000 0.946 1437 K CB 0.741 33.299 32.500 0.097 0.000 1.005 1437 K HN 0.499 nan 8.250 nan 0.000 0.469 1438 R N 1.981 122.521 120.500 0.067 0.000 2.808 1438 R HA 0.482 4.820 4.340 -0.003 0.000 0.272 1438 R C -0.713 175.614 176.300 0.045 0.000 0.995 1438 R CA -0.829 55.305 56.100 0.056 0.000 0.917 1438 R CB 1.605 31.916 30.300 0.019 0.000 1.217 1438 R HN 0.460 nan 8.270 nan 0.000 0.471 1439 I N 1.597 122.191 120.570 0.041 0.000 2.321 1439 I HA 0.161 4.329 4.170 -0.003 0.000 0.291 1439 I C -0.079 176.017 176.117 -0.036 0.000 0.998 1439 I CA -0.652 60.661 61.300 0.021 0.000 1.227 1439 I CB 1.246 39.263 38.000 0.029 0.000 1.368 1439 I HN 0.373 nan 8.210 nan 0.000 0.466 1440 N N 7.578 126.242 118.700 -0.061 0.000 2.415 1440 N HA 0.088 4.826 4.740 -0.003 0.000 0.250 1440 N C 0.775 176.200 175.510 -0.142 0.000 1.127 1440 N CA -0.278 52.665 53.050 -0.178 0.000 0.945 1440 N CB 0.886 39.156 38.487 -0.362 0.000 1.196 1440 N HN 0.544 nan 8.380 nan 0.000 0.499 1441 M N 2.272 121.783 119.600 -0.148 0.000 2.213 1441 M HA -0.088 4.390 4.480 -0.003 0.000 0.263 1441 M C 1.949 178.105 176.300 -0.240 0.000 1.062 1441 M CA 0.828 56.047 55.300 -0.135 0.000 1.105 1441 M CB -1.583 30.972 32.600 -0.075 0.000 1.385 1441 M HN 0.590 nan 8.290 nan 0.000 0.417 1442 A N -0.592 122.086 122.820 -0.237 0.000 1.902 1442 A HA -0.177 4.141 4.320 -0.003 0.000 0.217 1442 A C 2.006 179.370 177.584 -0.367 0.000 1.181 1442 A CA 1.523 53.368 52.037 -0.319 0.000 0.623 1442 A CB -1.147 17.857 19.000 0.006 0.000 0.818 1442 A HN 0.591 nan 8.150 nan 0.000 0.443 1443 H N -1.455 117.427 119.070 -0.314 0.000 2.353 1443 H HA -0.137 4.417 4.556 -0.003 0.000 0.300 1443 H C 2.112 177.248 175.328 -0.319 0.000 1.090 1443 H CA 1.216 57.048 56.048 -0.360 0.000 1.327 1443 H CB -0.048 29.680 29.762 -0.056 0.000 1.383 1443 H HN 0.436 nan 8.280 nan 0.000 0.508 1444 L N 0.679 121.842 121.223 -0.100 0.000 2.012 1444 L HA -0.185 4.153 4.340 -0.003 0.000 0.210 1444 L C 2.277 179.018 176.870 -0.215 0.000 1.073 1444 L CA 1.507 56.280 54.840 -0.112 0.000 0.748 1444 L CB -0.802 41.196 42.059 -0.101 0.000 0.891 1444 L HN 0.315 nan 8.230 nan 0.000 0.431 1445 C N -0.352 118.701 119.300 -0.412 0.000 2.425 1445 C HA -0.120 4.338 4.460 -0.003 0.000 0.277 1445 C C 2.723 177.464 174.990 -0.415 0.000 1.280 1445 C CA 0.893 59.569 59.018 -0.570 0.000 1.744 1445 C CB -0.968 26.025 27.740 -1.245 0.000 1.989 1445 C HN 0.609 nan 8.230 nan 0.000 0.491 1446 I N 1.619 121.925 120.570 -0.440 0.000 2.226 1446 I HA -0.158 4.010 4.170 -0.003 0.000 0.245 1446 I C 2.462 178.472 176.117 -0.178 0.000 1.100 1446 I CA 1.861 62.952 61.300 -0.348 0.000 1.374 1446 I CB -0.550 37.073 38.000 -0.628 0.000 1.057 1446 I HN 0.340 nan 8.210 nan 0.000 0.413 1447 V N -1.459 118.386 119.914 -0.114 0.000 3.041 1447 V HA 0.114 4.232 4.120 -0.003 0.000 0.260 1447 V C 1.894 178.075 176.094 0.145 0.000 1.105 1447 V CA 1.512 63.856 62.300 0.074 0.000 1.125 1447 V CB -0.970 30.882 31.823 0.048 0.000 0.730 1447 V HN 0.380 nan 8.190 nan 0.000 0.479 1448 G N -0.297 108.513 108.800 0.015 0.000 3.088 1448 G HA2 0.325 4.283 3.960 -0.003 0.000 0.217 1448 G HA3 0.325 4.283 3.960 -0.003 0.000 0.217 1448 G C 0.453 175.270 174.900 -0.139 0.000 1.159 1448 G CA 0.523 45.542 45.100 -0.135 0.000 0.760 1448 G HN 0.537 nan 8.290 nan 0.000 0.550 1449 S N -0.308 115.338 115.700 -0.091 0.000 2.568 1449 S HA 0.348 4.816 4.470 -0.003 0.000 0.302 1449 S C 0.650 175.216 174.600 -0.057 0.000 1.082 1449 S CA -0.684 57.496 58.200 -0.035 0.000 1.009 1449 S CB 1.282 64.453 63.200 -0.049 0.000 1.069 1449 S HN 0.490 nan 8.310 nan 0.000 0.500 1450 H N -0.422 118.624 119.070 -0.041 0.000 2.553 1450 H HA 0.545 5.099 4.556 -0.003 0.000 0.265 1450 H C 0.047 175.335 175.328 -0.066 0.000 0.964 1450 H CA 0.120 56.137 56.048 -0.052 0.000 1.156 1450 H CB 0.144 29.883 29.762 -0.038 0.000 1.411 1450 H HN 0.517 nan 8.280 nan 0.000 0.558 1451 A N 0.945 123.454 122.820 -0.517 0.000 2.488 1451 A HA 0.555 4.873 4.320 -0.003 0.000 0.298 1451 A C -1.478 175.871 177.584 -0.392 0.000 1.044 1451 A CA -0.564 51.212 52.037 -0.436 0.000 0.693 1451 A CB 2.192 20.892 19.000 -0.499 0.000 1.272 1451 A HN 0.096 nan 8.150 nan 0.000 0.402 1452 V N 4.173 123.795 119.914 -0.487 0.000 2.525 1452 V HA 0.542 4.660 4.120 -0.003 0.000 0.299 1452 V C -0.817 174.992 176.094 -0.474 0.000 1.034 1452 V CA -0.767 61.191 62.300 -0.570 0.000 0.863 1452 V CB 1.818 33.055 31.823 -0.977 0.000 0.999 1452 V HN 1.026 nan 8.190 nan 0.000 0.423 1453 N N 3.163 121.632 118.700 -0.386 0.000 2.262 1453 N HA 0.642 5.380 4.740 -0.003 0.000 0.295 1453 N C -0.268 175.108 175.510 -0.223 0.000 1.161 1453 N CA -0.332 52.560 53.050 -0.264 0.000 0.767 1453 N CB 2.878 41.200 38.487 -0.275 0.000 1.499 1453 N HN 0.634 nan 8.380 nan 0.000 0.476 1454 G N -0.866 107.861 108.800 -0.123 0.000 2.531 1454 G HA2 0.437 4.395 3.960 -0.003 0.000 0.313 1454 G HA3 0.437 4.395 3.960 -0.003 0.000 0.313 1454 G C 0.620 175.575 174.900 0.092 0.000 1.238 1454 G CA -0.489 44.605 45.100 -0.009 0.000 0.994 1454 G HN 0.653 nan 8.290 nan 0.000 0.493 1455 V N -3.698 116.383 119.914 0.278 0.000 3.214 1455 V HA 0.701 4.819 4.120 -0.003 0.000 0.330 1455 V C 0.440 176.613 176.094 0.131 0.000 1.403 1455 V CA 0.178 62.554 62.300 0.126 0.000 1.143 1455 V CB -0.769 31.081 31.823 0.044 0.000 1.098 1455 V HN 1.452 nan 8.190 nan 0.000 0.463 1456 A N -0.464 122.451 122.820 0.158 0.000 2.583 1456 A HA 0.521 4.839 4.320 -0.003 0.000 0.298 1456 A C 0.439 178.088 177.584 0.108 0.000 1.055 1456 A CA -0.312 51.799 52.037 0.124 0.000 0.714 1456 A CB 1.014 20.077 19.000 0.105 0.000 1.277 1456 A HN 0.025 nan 8.150 nan 0.000 0.406 1457 K N 1.064 121.507 120.400 0.071 0.000 2.052 1457 K HA -0.229 4.089 4.320 -0.003 0.000 0.215 1457 K C 1.693 178.316 176.600 0.038 0.000 1.053 1457 K CA 2.211 58.523 56.287 0.041 0.000 0.934 1457 K CB -0.261 32.259 32.500 0.033 0.000 0.717 1457 K HN 0.719 nan 8.250 nan 0.000 0.450 1458 I N 0.569 121.170 120.570 0.051 0.000 2.286 1458 I HA -0.322 3.846 4.170 -0.003 0.000 0.248 1458 I C 2.526 178.680 176.117 0.061 0.000 1.115 1458 I CA 1.645 62.970 61.300 0.041 0.000 1.392 1458 I CB -0.083 37.938 38.000 0.036 0.000 1.065 1458 I HN 0.260 nan 8.210 nan 0.000 0.418 1459 H N -0.019 119.046 119.070 -0.009 0.000 2.372 1459 H HA -0.049 4.505 4.556 -0.003 0.000 0.301 1459 H C 2.268 177.595 175.328 -0.002 0.000 1.065 1459 H CA 1.964 58.004 56.048 -0.013 0.000 1.364 1459 H CB -0.160 29.594 29.762 -0.013 0.000 1.406 1459 H HN 0.210 nan 8.280 nan 0.000 0.521 1460 S N -0.184 115.436 115.700 -0.133 0.000 2.399 1460 S HA -0.155 4.313 4.470 -0.003 0.000 0.231 1460 S C 1.710 176.249 174.600 -0.101 0.000 1.022 1460 S CA 1.385 59.490 58.200 -0.158 0.000 0.983 1460 S CB -0.278 62.894 63.200 -0.046 0.000 0.803 1460 S HN 0.628 nan 8.310 nan 0.000 0.480 1461 D N 1.367 121.726 120.400 -0.069 0.000 2.117 1461 D HA -0.021 4.617 4.640 -0.003 0.000 0.198 1461 D C 1.740 177.989 176.300 -0.085 0.000 0.982 1461 D CA 0.917 54.884 54.000 -0.056 0.000 0.828 1461 D CB -0.218 40.562 40.800 -0.033 0.000 0.967 1461 D HN 0.351 nan 8.370 nan 0.000 0.464 1462 I N -0.240 120.270 120.570 -0.100 0.000 2.226 1462 I HA -0.228 3.940 4.170 -0.003 0.000 0.245 1462 I C 2.348 178.367 176.117 -0.162 0.000 1.100 1462 I CA 0.539 61.773 61.300 -0.111 0.000 1.374 1462 I CB -0.144 37.807 38.000 -0.081 0.000 1.057 1462 I HN 0.004 nan 8.210 nan 0.000 0.413 1463 V N 0.969 120.763 119.914 -0.201 0.000 2.343 1463 V HA -0.308 3.810 4.120 -0.003 0.000 0.247 1463 V C 2.508 178.577 176.094 -0.041 0.000 1.051 1463 V CA 1.993 64.216 62.300 -0.129 0.000 1.036 1463 V CB -0.679 31.106 31.823 -0.063 0.000 0.654 1463 V HN 0.423 nan 8.190 nan 0.000 0.451 1464 K N 0.277 120.621 120.400 -0.094 0.000 2.044 1464 K HA -0.147 4.171 4.320 -0.003 0.000 0.204 1464 K C 2.196 178.631 176.600 -0.275 0.000 1.049 1464 K CA 1.869 57.966 56.287 -0.318 0.000 0.945 1464 K CB -0.193 32.205 32.500 -0.171 0.000 0.724 1464 K HN 0.641 nan 8.250 nan 0.000 0.440 1465 T N -1.903 112.556 114.554 -0.158 0.000 3.067 1465 T HA 0.122 4.470 4.350 -0.003 0.000 0.257 1465 T C 1.414 176.053 174.700 -0.102 0.000 1.105 1465 T CA 0.376 62.406 62.100 -0.117 0.000 1.104 1465 T CB 0.270 69.091 68.868 -0.079 0.000 0.925 1465 T HN 0.166 nan 8.240 nan 0.000 0.498 1466 K N 0.400 120.727 120.400 -0.122 0.000 2.446 1466 K HA 0.332 4.650 4.320 -0.003 0.000 0.238 1466 K C 2.171 178.675 176.600 -0.159 0.000 1.193 1466 K CA 0.463 56.681 56.287 -0.115 0.000 0.782 1466 K CB -0.257 32.178 32.500 -0.108 0.000 1.506 1466 K HN -0.020 nan 8.250 nan 0.000 0.417 1467 V N 1.415 121.164 119.914 -0.275 0.000 2.278 1467 V HA -0.225 3.893 4.120 -0.003 0.000 0.251 1467 V C 1.292 177.062 176.094 -0.540 0.000 1.062 1467 V CA 1.846 63.836 62.300 -0.517 0.000 1.038 1467 V CB -0.480 30.818 31.823 -0.875 0.000 0.646 1467 V HN 0.252 nan 8.190 nan 0.000 0.447 1468 F N -0.896 119.066 119.950 0.020 0.000 2.908 1468 F HA 0.339 4.864 4.527 -0.003 0.000 0.328 1468 F C 1.575 177.372 175.800 -0.006 0.000 1.211 1468 F CA -0.336 57.722 58.000 0.097 0.000 1.291 1468 F CB 0.090 39.140 39.000 0.083 0.000 0.962 1468 F HN -0.102 nan 8.300 nan 0.000 0.505 1469 K N 0.874 121.309 120.400 0.058 0.000 2.044 1469 K HA -0.217 4.101 4.320 -0.003 0.000 0.210 1469 K C 1.375 177.977 176.600 0.003 0.000 1.049 1469 K CA 2.191 58.466 56.287 -0.021 0.000 0.927 1469 K CB 0.013 32.492 32.500 -0.036 0.000 0.713 1469 K HN 0.189 nan 8.250 nan 0.000 0.443 1470 D N -0.345 120.067 120.400 0.021 0.000 2.190 1470 D HA -0.174 4.463 4.640 -0.003 0.000 0.200 1470 D C 1.714 177.901 176.300 -0.189 0.000 0.992 1470 D CA 1.246 55.157 54.000 -0.148 0.000 0.854 1470 D CB -0.169 40.465 40.800 -0.278 0.000 0.936 1470 D HN 0.242 nan 8.370 nan 0.000 0.462 1471 F N 1.085 121.051 119.950 0.026 0.000 2.219 1471 F HA -0.072 4.453 4.527 -0.004 0.000 0.294 1471 F C 2.733 178.584 175.800 0.086 0.000 1.086 1471 F CA 0.832 58.893 58.000 0.102 0.000 1.330 1471 F CB -0.723 38.404 39.000 0.212 0.000 1.047 1471 F HN -0.090 nan 8.300 nan 0.000 0.495 1472 S N 0.117 115.843 115.700 0.043 0.000 2.382 1472 S HA -0.201 4.267 4.470 -0.003 0.000 0.228 1472 S C 1.713 176.330 174.600 0.028 0.000 1.027 1472 S CA 1.387 59.519 58.200 -0.113 0.000 0.991 1472 S CB -0.771 62.110 63.200 -0.532 0.000 0.823 1472 S HN 0.491 nan 8.310 nan 0.000 0.469 1473 E N 1.276 121.484 120.200 0.013 0.000 2.077 1473 E HA -0.073 4.275 4.350 -0.003 0.000 0.193 1473 E C 2.129 178.785 176.600 0.093 0.000 0.989 1473 E CA 1.264 57.688 56.400 0.041 0.000 0.800 1473 E CB -0.356 29.360 29.700 0.027 0.000 0.746 1473 E HN 0.507 nan 8.360 nan 0.000 0.452 1474 L N 0.689 121.978 121.223 0.109 0.000 2.109 1474 L HA -0.093 4.245 4.340 -0.003 0.000 0.207 1474 L C 0.446 177.416 176.870 0.165 0.000 1.086 1474 L CA 1.251 56.181 54.840 0.150 0.000 0.760 1474 L CB 0.315 42.455 42.059 0.135 0.000 0.910 1474 L HN -0.005 nan 8.230 nan 0.000 0.437 1475 E N -0.778 119.542 120.200 0.201 0.000 3.374 1475 E HA 0.155 4.503 4.350 -0.003 0.000 0.223 1475 E C -2.021 174.723 176.600 0.240 0.000 1.210 1475 E CA -1.551 54.980 56.400 0.219 0.000 0.987 1475 E CB 1.167 31.026 29.700 0.267 0.000 1.322 1475 E HN 0.189 nan 8.360 nan 0.000 0.404 1476 P HA -0.225 nan 4.420 nan 0.000 0.208 1476 P C 0.792 178.199 177.300 0.179 0.000 1.180 1476 P CA 1.139 64.325 63.100 0.143 0.000 0.935 1476 P CB 0.228 31.981 31.700 0.089 0.000 0.785 1477 D N -0.777 119.699 120.400 0.128 0.000 2.397 1477 D HA -0.202 4.436 4.640 -0.003 0.000 0.219 1477 D C 1.730 178.093 176.300 0.105 0.000 0.975 1477 D CA 0.967 55.027 54.000 0.101 0.000 0.940 1477 D CB -0.301 40.543 40.800 0.073 0.000 0.884 1477 D HN 0.374 nan 8.370 nan 0.000 0.505 1478 K N -0.204 120.292 120.400 0.160 0.000 2.062 1478 K HA -0.092 4.226 4.320 -0.003 0.000 0.205 1478 K C 0.369 176.919 176.600 -0.084 0.000 1.051 1478 K CA 0.371 56.688 56.287 0.050 0.000 0.941 1478 K CB 0.079 32.614 32.500 0.059 0.000 0.719 1478 K HN -0.115 nan 8.250 nan 0.000 0.440 1479 F N 1.958 121.902 119.950 -0.009 0.000 2.412 1479 F HA 0.236 4.761 4.527 -0.003 0.000 0.348 1479 F C 0.359 176.122 175.800 -0.062 0.000 1.102 1479 F CA 0.005 57.982 58.000 -0.038 0.000 1.196 1479 F CB 1.201 40.199 39.000 -0.005 0.000 1.144 1479 F HN 0.096 nan 8.300 nan 0.000 0.541 1480 Q N 1.295 121.092 119.800 -0.004 0.000 2.683 1480 Q HA 0.363 4.701 4.340 -0.003 0.000 0.302 1480 Q C -1.178 174.774 176.000 -0.080 0.000 1.042 1480 Q CA -1.261 54.507 55.803 -0.058 0.000 0.773 1480 Q CB 3.018 31.668 28.738 -0.148 0.000 1.508 1480 Q HN 0.651 nan 8.270 nan 0.000 0.459 1481 N N 0.552 119.192 118.700 -0.100 0.000 2.272 1481 N HA 0.315 5.053 4.740 -0.003 0.000 0.305 1481 N C -1.524 173.893 175.510 -0.156 0.000 1.103 1481 N CA -0.414 52.581 53.050 -0.092 0.000 0.791 1481 N CB 1.194 39.656 38.487 -0.042 0.000 1.356 1481 N HN 0.289 nan 8.380 nan 0.000 0.486 1482 K N 2.563 122.878 120.400 -0.142 0.000 2.740 1482 K HA 0.179 4.497 4.320 -0.003 0.000 0.246 1482 K C -1.071 175.538 176.600 0.015 0.000 1.021 1482 K CA -0.482 55.695 56.287 -0.183 0.000 1.021 1482 K CB 1.315 33.499 32.500 -0.526 0.000 1.233 1482 K HN 0.559 nan 8.250 nan 0.000 0.497 1483 T N 2.664 117.248 114.554 0.049 0.000 2.902 1483 T HA 0.086 4.434 4.350 -0.003 0.000 0.301 1483 T C 0.774 175.602 174.700 0.213 0.000 1.012 1483 T CA 0.059 62.237 62.100 0.131 0.000 1.151 1483 T CB 0.226 69.175 68.868 0.135 0.000 0.946 1483 T HN 0.254 nan 8.240 nan 0.000 0.542 1484 N N 1.199 120.041 118.700 0.236 0.000 2.267 1484 N HA 0.428 5.166 4.740 -0.003 0.000 0.226 1484 N C 0.518 176.206 175.510 0.296 0.000 1.314 1484 N CA 0.263 53.480 53.050 0.279 0.000 0.887 1484 N CB 0.382 38.971 38.487 0.169 0.000 1.120 1484 N HN 0.869 nan 8.380 nan 0.000 0.440 1485 G N -1.374 107.601 108.800 0.291 0.000 2.649 1485 G HA2 0.638 4.596 3.960 -0.003 0.000 0.290 1485 G HA3 0.638 4.596 3.960 -0.003 0.000 0.290 1485 G C -1.282 173.730 174.900 0.187 0.000 1.426 1485 G CA -0.699 44.560 45.100 0.266 0.000 0.794 1485 G HN 0.572 nan 8.290 nan 0.000 0.483 1486 I N -2.164 118.503 120.570 0.162 0.000 2.730 1486 I HA 0.726 4.894 4.170 -0.003 0.000 0.298 1486 I C -0.181 176.075 176.117 0.233 0.000 1.089 1486 I CA -0.946 60.438 61.300 0.139 0.000 1.041 1486 I CB 2.460 40.434 38.000 -0.045 0.000 1.235 1486 I HN 0.488 nan 8.210 nan 0.000 0.423 1487 T N 4.981 119.724 114.554 0.316 0.000 2.779 1487 T HA 0.316 4.664 4.350 -0.003 0.000 0.296 1487 T C -1.315 173.492 174.700 0.178 0.000 0.938 1487 T CA -1.477 60.743 62.100 0.200 0.000 1.119 1487 T CB 0.660 69.599 68.868 0.119 0.000 0.891 1487 T HN 0.650 nan 8.240 nan 0.000 0.526 1488 P HA 0.041 nan 4.420 nan 0.000 0.242 1488 P C 0.981 178.248 177.300 -0.055 0.000 1.197 1488 P CA 0.263 63.397 63.100 0.056 0.000 0.765 1488 P CB 0.392 32.122 31.700 0.049 0.000 0.936 1489 R N 0.500 120.920 120.500 -0.134 0.000 2.052 1489 R HA 0.058 4.396 4.340 -0.003 0.000 0.224 1489 R C 2.708 178.881 176.300 -0.210 0.000 1.165 1489 R CA 1.426 57.395 56.100 -0.218 0.000 0.939 1489 R CB -1.268 28.901 30.300 -0.219 0.000 0.834 1489 R HN -0.003 nan 8.270 nan 0.000 0.435 1490 R N -0.686 119.635 120.500 -0.299 0.000 2.083 1490 R HA -0.135 4.203 4.340 -0.003 0.000 0.237 1490 R C 1.024 176.934 176.300 -0.651 0.000 1.137 1490 R CA 1.827 57.592 56.100 -0.558 0.000 0.951 1490 R CB -0.248 29.563 30.300 -0.816 0.000 0.851 1490 R HN 0.292 nan 8.270 nan 0.000 0.434 1491 W N 0.137 121.381 121.300 -0.093 0.000 3.438 1491 W HA 0.160 4.818 4.660 -0.003 0.000 0.322 1491 W C 1.165 177.638 176.519 -0.076 0.000 1.261 1491 W CA -0.585 56.701 57.345 -0.099 0.000 1.788 1491 W CB 0.397 29.798 29.460 -0.099 0.000 1.065 1491 W HN 0.219 nan 8.180 nan 0.000 0.715 1492 L N -1.717 119.531 121.223 0.043 0.000 2.208 1492 L HA 0.102 4.440 4.340 -0.003 0.000 0.133 1492 L C 1.686 178.559 176.870 0.005 0.000 1.385 1492 L CA 0.329 55.198 54.840 0.048 0.000 1.030 1492 L CB -0.920 41.195 42.059 0.094 0.000 2.075 1492 L HN -0.107 nan 8.230 nan 0.000 0.482 1493 L N 1.017 122.229 121.223 -0.019 0.000 2.042 1493 L HA -0.237 4.101 4.340 -0.003 0.000 0.210 1493 L C 2.588 179.425 176.870 -0.056 0.000 1.076 1493 L CA 1.879 56.700 54.840 -0.031 0.000 0.749 1493 L CB -0.390 41.620 42.059 -0.082 0.000 0.893 1493 L HN 0.403 nan 8.230 nan 0.000 0.432 1494 L N -0.014 121.143 121.223 -0.109 0.000 2.071 1494 L HA -0.179 4.159 4.340 -0.003 0.000 0.201 1494 L C 2.919 179.715 176.870 -0.125 0.000 1.076 1494 L CA 1.471 56.231 54.840 -0.133 0.000 0.755 1494 L CB -0.095 41.835 42.059 -0.214 0.000 0.915 1494 L HN 0.532 nan 8.230 nan 0.000 0.445 1495 C N -1.021 118.188 119.300 -0.151 0.000 2.448 1495 C HA 0.057 4.515 4.460 -0.003 0.000 0.280 1495 C C 1.342 176.301 174.990 -0.052 0.000 1.398 1495 C CA 0.036 58.986 59.018 -0.113 0.000 1.774 1495 C CB -1.189 26.483 27.740 -0.113 0.000 1.888 1495 C HN 0.616 nan 8.230 nan 0.000 0.519 1496 N N 1.137 119.818 118.700 -0.032 0.000 2.723 1496 N HA 0.260 4.998 4.740 -0.003 0.000 0.290 1496 N C -1.596 173.912 175.510 -0.004 0.000 1.882 1496 N CA -1.574 51.469 53.050 -0.012 0.000 0.851 1496 N CB 0.629 39.115 38.487 -0.000 0.000 1.234 1496 N HN 0.298 nan 8.380 nan 0.000 0.491 1497 P HA -0.103 nan 4.420 nan 0.000 0.217 1497 P C 1.371 178.675 177.300 0.007 0.000 1.148 1497 P CA 1.063 64.164 63.100 0.002 0.000 0.828 1497 P CB 0.225 31.922 31.700 -0.006 0.000 0.783 1498 G N 0.671 109.470 108.800 -0.002 0.000 2.421 1498 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.216 1498 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.216 1498 G C 1.677 176.570 174.900 -0.011 0.000 1.171 1498 G CA 0.333 45.429 45.100 -0.008 0.000 0.775 1498 G HN 0.242 nan 8.290 nan 0.000 0.543 1499 L N 0.512 121.727 121.223 -0.013 0.000 2.027 1499 L HA -0.026 4.312 4.340 -0.003 0.000 0.206 1499 L C 3.321 180.185 176.870 -0.009 0.000 1.074 1499 L CA 1.493 56.319 54.840 -0.023 0.000 0.745 1499 L CB -0.443 41.604 42.059 -0.021 0.000 0.898 1499 L HN 0.331 nan 8.230 nan 0.000 0.433 1500 A N -0.363 122.475 122.820 0.031 0.000 1.917 1500 A HA -0.315 4.003 4.320 -0.003 0.000 0.219 1500 A C 2.179 179.832 177.584 0.115 0.000 1.182 1500 A CA 2.126 54.229 52.037 0.110 0.000 0.633 1500 A CB -0.649 18.430 19.000 0.130 0.000 0.819 1500 A HN 0.609 nan 8.150 nan 0.000 0.448 1501 E N -0.387 119.851 120.200 0.062 0.000 2.051 1501 E HA -0.167 4.181 4.350 -0.003 0.000 0.192 1501 E C 2.022 178.646 176.600 0.040 0.000 0.991 1501 E CA 1.033 57.465 56.400 0.053 0.000 0.799 1501 E CB -0.232 29.484 29.700 0.026 0.000 0.748 1501 E HN 0.582 nan 8.360 nan 0.000 0.449 1502 L N 0.917 122.150 121.223 0.016 0.000 2.012 1502 L HA -0.218 4.120 4.340 -0.003 0.000 0.210 1502 L C 2.424 179.307 176.870 0.022 0.000 1.073 1502 L CA 1.397 56.249 54.840 0.020 0.000 0.748 1502 L CB -0.251 41.799 42.059 -0.015 0.000 0.891 1502 L HN 0.321 nan 8.230 nan 0.000 0.431 1503 I N -0.441 120.107 120.570 -0.036 0.000 2.252 1503 I HA -0.250 3.918 4.170 -0.003 0.000 0.245 1503 I C 2.779 178.838 176.117 -0.096 0.000 1.102 1503 I CA 1.013 62.217 61.300 -0.161 0.000 1.385 1503 I CB -0.508 37.240 38.000 -0.419 0.000 1.064 1503 I HN 0.268 nan 8.210 nan 0.000 0.414 1504 A N 0.729 123.594 122.820 0.076 0.000 1.877 1504 A HA -0.241 4.077 4.320 -0.003 0.000 0.216 1504 A C 2.193 179.825 177.584 0.081 0.000 1.186 1504 A CA 1.787 53.943 52.037 0.198 0.000 0.620 1504 A CB -0.655 18.474 19.000 0.216 0.000 0.822 1504 A HN 0.435 nan 8.150 nan 0.000 0.443 1505 E N -0.386 119.839 120.200 0.041 0.000 2.118 1505 E HA -0.199 4.149 4.350 -0.003 0.000 0.195 1505 E C 1.913 178.509 176.600 -0.006 0.000 0.992 1505 E CA 1.310 57.724 56.400 0.023 0.000 0.804 1505 E CB -0.026 29.688 29.700 0.023 0.000 0.741 1505 E HN 0.409 nan 8.360 nan 0.000 0.458 1506 K N 0.210 120.558 120.400 -0.086 0.000 2.098 1506 K HA 0.021 4.339 4.320 -0.003 0.000 0.203 1506 K C 2.094 178.672 176.600 -0.038 0.000 1.051 1506 K CA 0.876 57.051 56.287 -0.187 0.000 0.957 1506 K CB 0.220 32.281 32.500 -0.733 0.000 0.738 1506 K HN 0.332 nan 8.250 nan 0.000 0.447 1507 I N -3.525 117.026 120.570 -0.032 0.000 4.147 1507 I HA 0.371 4.539 4.170 -0.003 0.000 0.329 1507 I C 0.327 176.502 176.117 0.098 0.000 1.424 1507 I CA -0.252 61.078 61.300 0.050 0.000 1.127 1507 I CB 0.697 38.713 38.000 0.027 0.000 1.128 1507 I HN 0.096 nan 8.210 nan 0.000 0.417 1508 G N 2.236 111.101 108.800 0.108 0.000 2.710 1508 G HA2 -0.196 3.762 3.960 -0.003 0.000 0.668 1508 G HA3 -0.196 3.762 3.960 -0.003 0.000 0.668 1508 G C -0.156 174.861 174.900 0.195 0.000 1.320 1508 G CA 0.014 45.186 45.100 0.119 0.000 0.860 1508 G HN 0.491 nan 8.290 nan 0.000 0.538 1509 E N -0.325 119.930 120.200 0.090 0.000 2.479 1509 E HA 0.096 4.444 4.350 -0.003 0.000 0.193 1509 E C 1.128 177.631 176.600 -0.163 0.000 1.049 1509 E CA 0.224 56.595 56.400 -0.049 0.000 0.870 1509 E CB 0.230 29.901 29.700 -0.048 0.000 0.944 1509 E HN 0.447 nan 8.360 nan 0.000 0.492 1510 D N 0.977 121.370 120.400 -0.012 0.000 2.182 1510 D HA -0.203 4.435 4.640 -0.003 0.000 0.201 1510 D C 1.698 177.975 176.300 -0.037 0.000 0.986 1510 D CA 1.009 55.002 54.000 -0.011 0.000 0.847 1510 D CB -0.252 40.574 40.800 0.044 0.000 0.942 1510 D HN 0.479 nan 8.370 nan 0.000 0.467 1511 Y N 0.162 120.464 120.300 0.003 0.000 2.315 1511 Y HA -0.203 4.345 4.550 -0.003 0.000 0.288 1511 Y C 2.106 177.987 175.900 -0.031 0.000 1.154 1511 Y CA 1.056 59.148 58.100 -0.012 0.000 1.229 1511 Y CB -1.157 37.292 38.460 -0.018 0.000 0.980 1511 Y HN -0.019 nan 8.280 nan 0.000 0.540 1512 V N -0.370 119.120 119.914 -0.707 0.000 2.332 1512 V HA -0.254 3.864 4.120 -0.003 0.000 0.248 1512 V C 1.916 177.851 176.094 -0.264 0.000 1.055 1512 V CA 2.220 64.194 62.300 -0.544 0.000 1.038 1512 V CB -0.750 30.677 31.823 -0.659 0.000 0.651 1512 V HN 0.438 nan 8.190 nan 0.000 0.450 1513 K N 0.094 120.415 120.400 -0.132 0.000 2.361 1513 K HA 0.149 4.467 4.320 -0.003 0.000 0.194 1513 K C 0.213 176.811 176.600 -0.003 0.000 1.032 1513 K CA 0.670 56.940 56.287 -0.029 0.000 1.048 1513 K CB 0.276 32.801 32.500 0.042 0.000 0.842 1513 K HN 0.542 nan 8.250 nan 0.000 0.526 1514 D N 0.638 121.041 120.400 0.004 0.000 2.429 1514 D HA 0.052 4.690 4.640 -0.003 0.000 0.255 1514 D C 0.205 176.542 176.300 0.062 0.000 1.257 1514 D CA -0.314 53.703 54.000 0.029 0.000 0.890 1514 D CB 0.808 41.625 40.800 0.030 0.000 1.267 1514 D HN -0.179 nan 8.370 nan 0.000 0.521 1515 L N 2.412 123.673 121.223 0.063 0.000 2.261 1515 L HA -0.100 4.238 4.340 -0.003 0.000 0.216 1515 L C 2.155 179.060 176.870 0.060 0.000 1.114 1515 L CA 2.026 56.924 54.840 0.096 0.000 0.777 1515 L CB -0.570 41.539 42.059 0.082 0.000 0.910 1515 L HN 0.478 nan 8.230 nan 0.000 0.440 1516 S N -2.047 113.670 115.700 0.028 0.000 2.440 1516 S HA -0.224 4.244 4.470 -0.003 0.000 0.238 1516 S C 1.764 176.375 174.600 0.019 0.000 1.010 1516 S CA 0.739 58.943 58.200 0.007 0.000 0.972 1516 S CB -0.528 62.669 63.200 -0.004 0.000 0.774 1516 S HN 0.528 nan 8.310 nan 0.000 0.501 1517 Q N 1.002 120.830 119.800 0.047 0.000 2.364 1517 Q HA 0.119 4.457 4.340 -0.003 0.000 0.209 1517 Q C 2.005 178.018 176.000 0.022 0.000 0.977 1517 Q CA 0.658 56.494 55.803 0.055 0.000 0.885 1517 Q CB -0.639 28.162 28.738 0.106 0.000 0.941 1517 Q HN 0.633 nan 8.270 nan 0.000 0.464 1518 L N 0.717 121.935 121.223 -0.008 0.000 2.265 1518 L HA -0.154 4.184 4.340 -0.003 0.000 0.215 1518 L C 2.382 179.160 176.870 -0.153 0.000 1.117 1518 L CA 1.498 56.281 54.840 -0.094 0.000 0.782 1518 L CB -0.848 41.153 42.059 -0.096 0.000 0.914 1518 L HN 0.304 nan 8.230 nan 0.000 0.441 1519 T N -3.305 111.176 114.554 -0.122 0.000 2.897 1519 T HA -0.217 4.131 4.350 -0.003 0.000 0.271 1519 T C 1.702 176.316 174.700 -0.142 0.000 1.084 1519 T CA 0.941 62.925 62.100 -0.194 0.000 1.123 1519 T CB -0.226 68.664 68.868 0.037 0.000 0.865 1519 T HN 0.319 nan 8.240 nan 0.000 0.496 1520 K N 0.807 121.179 120.400 -0.047 0.000 2.209 1520 K HA 0.114 4.432 4.320 -0.003 0.000 0.204 1520 K C 2.092 178.731 176.600 0.065 0.000 1.048 1520 K CA 0.958 57.259 56.287 0.024 0.000 0.940 1520 K CB -0.457 32.072 32.500 0.047 0.000 0.729 1520 K HN 0.389 nan 8.250 nan 0.000 0.451 1521 L N 0.157 121.363 121.223 -0.028 0.000 2.349 1521 L HA -0.199 4.139 4.340 -0.003 0.000 0.220 1521 L C 1.761 178.721 176.870 0.150 0.000 1.130 1521 L CA 1.114 55.980 54.840 0.043 0.000 0.791 1521 L CB -0.643 41.344 42.059 -0.119 0.000 0.918 1521 L HN 0.340 nan 8.230 nan 0.000 0.444 1522 H N -1.384 117.744 119.070 0.098 0.000 2.489 1522 H HA -0.126 4.428 4.556 -0.002 0.000 0.295 1522 H C 2.361 177.685 175.328 -0.007 0.000 1.082 1522 H CA 0.975 57.053 56.048 0.050 0.000 1.295 1522 H CB 0.185 29.954 29.762 0.012 0.000 1.380 1522 H HN 0.254 nan 8.280 nan 0.000 0.548 1523 S N 0.055 115.764 115.700 0.014 0.000 2.474 1523 S HA -0.089 4.379 4.470 -0.003 0.000 0.235 1523 S C 0.671 174.956 174.600 -0.525 0.000 0.997 1523 S CA 0.768 58.778 58.200 -0.316 0.000 0.949 1523 S CB -0.050 62.807 63.200 -0.571 0.000 0.766 1523 S HN 0.335 nan 8.310 nan 0.000 0.517 1524 F N 0.519 120.403 119.950 -0.111 0.000 2.641 1524 F HA 0.404 4.929 4.527 -0.003 0.000 0.302 1524 F C 1.322 177.145 175.800 0.039 0.000 1.098 1524 F CA -0.474 57.456 58.000 -0.116 0.000 1.318 1524 F CB -0.609 38.120 39.000 -0.452 0.000 1.035 1524 F HN 0.055 nan 8.300 nan 0.000 0.551 1525 L N 0.044 121.363 121.223 0.161 0.000 2.089 1525 L HA -0.209 4.129 4.340 -0.003 0.000 0.213 1525 L C 2.324 179.268 176.870 0.124 0.000 1.079 1525 L CA 1.757 56.688 54.840 0.152 0.000 0.758 1525 L CB -0.689 41.430 42.059 0.099 0.000 0.891 1525 L HN 0.410 nan 8.230 nan 0.000 0.433 1526 G N -2.237 106.615 108.800 0.086 0.000 3.277 1526 G HA2 -0.077 3.881 3.960 -0.003 0.000 0.243 1526 G HA3 -0.077 3.881 3.960 -0.003 0.000 0.243 1526 G C 0.095 175.052 174.900 0.095 0.000 1.107 1526 G CA -0.251 44.892 45.100 0.071 0.000 0.771 1526 G HN 0.125 nan 8.290 nan 0.000 0.544 1527 D N 1.331 121.823 120.400 0.154 0.000 2.416 1527 D HA 0.122 4.760 4.640 -0.003 0.000 0.240 1527 D C 0.651 177.078 176.300 0.211 0.000 1.250 1527 D CA -0.352 53.766 54.000 0.197 0.000 0.967 1527 D CB 0.534 41.518 40.800 0.307 0.000 1.059 1527 D HN 0.123 nan 8.370 nan 0.000 0.512 1528 D N 2.150 122.629 120.400 0.131 0.000 2.133 1528 D HA -0.184 4.454 4.640 -0.003 0.000 0.195 1528 D C 2.114 178.470 176.300 0.093 0.000 0.997 1528 D CA 0.918 54.975 54.000 0.095 0.000 0.840 1528 D CB 0.160 40.995 40.800 0.059 0.000 0.947 1528 D HN 0.276 nan 8.370 nan 0.000 0.452 1529 V N 0.434 120.415 119.914 0.111 0.000 2.332 1529 V HA -0.252 3.866 4.120 -0.003 0.000 0.248 1529 V C 1.983 178.146 176.094 0.115 0.000 1.055 1529 V CA 1.392 63.750 62.300 0.097 0.000 1.038 1529 V CB -0.591 31.296 31.823 0.107 0.000 0.651 1529 V HN 0.150 nan 8.190 nan 0.000 0.450 1530 F N 0.542 120.521 119.950 0.048 0.000 2.075 1530 F HA -0.165 4.360 4.527 -0.003 0.000 0.297 1530 F C 2.097 177.898 175.800 0.002 0.000 1.113 1530 F CA 1.602 59.611 58.000 0.015 0.000 1.218 1530 F CB -0.458 38.573 39.000 0.050 0.000 0.984 1530 F HN 0.014 nan 8.300 nan 0.000 0.472 1531 L N -0.021 121.179 121.223 -0.038 0.000 2.081 1531 L HA -0.271 4.067 4.340 -0.003 0.000 0.212 1531 L C 2.615 179.389 176.870 -0.160 0.000 1.080 1531 L CA 1.694 56.460 54.840 -0.123 0.000 0.754 1531 L CB -0.675 41.401 42.059 0.030 0.000 0.893 1531 L HN 0.124 nan 8.230 nan 0.000 0.433 1532 R N -0.034 120.409 120.500 -0.096 0.000 2.073 1532 R HA -0.159 4.179 4.340 -0.003 0.000 0.234 1532 R C 2.185 178.403 176.300 -0.136 0.000 1.134 1532 R CA 1.415 57.463 56.100 -0.087 0.000 0.952 1532 R CB -0.308 29.968 30.300 -0.041 0.000 0.850 1532 R HN 0.423 nan 8.270 nan 0.000 0.433 1533 E N 0.632 120.724 120.200 -0.182 0.000 2.077 1533 E HA -0.210 4.138 4.350 -0.003 0.000 0.193 1533 E C 1.919 178.348 176.600 -0.284 0.000 0.989 1533 E CA 0.967 57.245 56.400 -0.205 0.000 0.800 1533 E CB -0.119 29.467 29.700 -0.191 0.000 0.746 1533 E HN 0.102 nan 8.360 nan 0.000 0.452 1534 L N 0.982 121.930 121.223 -0.459 0.000 2.012 1534 L HA -0.168 4.170 4.340 -0.003 0.000 0.210 1534 L C 2.221 178.973 176.870 -0.196 0.000 1.073 1534 L CA 2.100 56.699 54.840 -0.401 0.000 0.748 1534 L CB -0.608 41.157 42.059 -0.490 0.000 0.891 1534 L HN 0.055 nan 8.230 nan 0.000 0.431 1535 A N -0.832 121.895 122.820 -0.154 0.000 1.933 1535 A HA -0.259 4.059 4.320 -0.003 0.000 0.218 1535 A C 2.447 179.977 177.584 -0.091 0.000 1.175 1535 A CA 1.916 53.897 52.037 -0.094 0.000 0.628 1535 A CB -0.619 18.329 19.000 -0.087 0.000 0.814 1535 A HN 0.512 nan 8.150 nan 0.000 0.444 1536 K N -0.230 120.110 120.400 -0.099 0.000 2.026 1536 K HA -0.105 4.213 4.320 -0.003 0.000 0.208 1536 K C 1.844 178.403 176.600 -0.069 0.000 1.048 1536 K CA 1.625 57.866 56.287 -0.078 0.000 0.929 1536 K CB -0.311 32.146 32.500 -0.072 0.000 0.713 1536 K HN 0.217 nan 8.250 nan 0.000 0.439 1537 V N 1.774 121.640 119.914 -0.080 0.000 2.255 1537 V HA -0.287 3.831 4.120 -0.003 0.000 0.247 1537 V C 2.415 178.481 176.094 -0.048 0.000 1.051 1537 V CA 2.217 64.480 62.300 -0.062 0.000 1.018 1537 V CB -0.531 31.248 31.823 -0.075 0.000 0.641 1537 V HN 0.392 nan 8.190 nan 0.000 0.445 1538 K N 0.388 120.757 120.400 -0.051 0.000 2.063 1538 K HA -0.243 4.075 4.320 -0.003 0.000 0.208 1538 K C 2.256 178.815 176.600 -0.067 0.000 1.048 1538 K CA 2.001 58.264 56.287 -0.040 0.000 0.928 1538 K CB -0.610 31.880 32.500 -0.018 0.000 0.713 1538 K HN 0.549 nan 8.250 nan 0.000 0.442 1539 Q N 0.502 120.257 119.800 -0.075 0.000 2.077 1539 Q HA -0.246 4.092 4.340 -0.003 0.000 0.206 1539 Q C 1.745 177.711 176.000 -0.056 0.000 0.989 1539 Q CA 2.222 57.974 55.803 -0.084 0.000 0.853 1539 Q CB -0.138 28.557 28.738 -0.071 0.000 0.907 1539 Q HN 0.541 nan 8.270 nan 0.000 0.418 1540 E N 0.147 120.326 120.200 -0.034 0.000 2.077 1540 E HA -0.180 4.168 4.350 -0.003 0.000 0.193 1540 E C 1.847 178.457 176.600 0.016 0.000 0.989 1540 E CA 1.353 57.748 56.400 -0.008 0.000 0.800 1540 E CB -0.200 29.494 29.700 -0.009 0.000 0.746 1540 E HN 0.534 nan 8.360 nan 0.000 0.452 1541 N N 0.858 119.563 118.700 0.009 0.000 2.084 1541 N HA -0.143 4.595 4.740 -0.003 0.000 0.190 1541 N C 1.715 177.284 175.510 0.097 0.000 1.030 1541 N CA 0.867 53.944 53.050 0.045 0.000 0.849 1541 N CB -0.009 38.490 38.487 0.019 0.000 1.012 1541 N HN 0.037 nan 8.380 nan 0.000 0.423 1542 K N 0.400 120.803 120.400 0.005 0.000 2.147 1542 K HA -0.106 4.212 4.320 -0.003 0.000 0.205 1542 K C 1.711 178.384 176.600 0.121 0.000 1.049 1542 K CA 0.713 56.975 56.287 -0.041 0.000 0.936 1542 K CB -0.043 32.163 32.500 -0.489 0.000 0.722 1542 K HN 0.057 nan 8.250 nan 0.000 0.446 1543 L N 1.677 122.943 121.223 0.071 0.000 2.005 1543 L HA -0.141 4.197 4.340 -0.003 0.000 0.207 1543 L C 2.301 179.258 176.870 0.146 0.000 1.072 1543 L CA 1.745 56.641 54.840 0.094 0.000 0.744 1543 L CB -0.521 41.567 42.059 0.049 0.000 0.895 1543 L HN 0.050 nan 8.230 nan 0.000 0.433 1544 K N -1.457 119.032 120.400 0.149 0.000 2.032 1544 K HA -0.265 4.053 4.320 -0.003 0.000 0.209 1544 K C 2.268 179.023 176.600 0.259 0.000 1.048 1544 K CA 1.774 58.163 56.287 0.171 0.000 0.927 1544 K CB -0.365 32.224 32.500 0.148 0.000 0.712 1544 K HN 0.169 nan 8.250 nan 0.000 0.441 1545 F N 1.403 121.456 119.950 0.172 0.000 2.234 1545 F HA -0.096 4.429 4.527 -0.003 0.000 0.299 1545 F C 2.138 178.128 175.800 0.318 0.000 1.087 1545 F CA 1.271 59.411 58.000 0.233 0.000 1.340 1545 F CB -0.265 38.878 39.000 0.239 0.000 1.031 1545 F HN -0.012 nan 8.300 nan 0.000 0.500 1546 S N -0.129 115.738 115.700 0.279 0.000 2.399 1546 S HA -0.218 4.250 4.470 -0.003 0.000 0.231 1546 S C 1.918 176.560 174.600 0.070 0.000 1.022 1546 S CA 1.206 59.514 58.200 0.181 0.000 0.983 1546 S CB -0.321 63.041 63.200 0.270 0.000 0.803 1546 S HN 0.523 nan 8.310 nan 0.000 0.480 1547 Q N -0.325 119.532 119.800 0.095 0.000 2.050 1547 Q HA -0.117 4.221 4.340 -0.003 0.000 0.202 1547 Q C 1.909 177.925 176.000 0.026 0.000 0.980 1547 Q CA 1.455 57.295 55.803 0.062 0.000 0.840 1547 Q CB -0.291 28.497 28.738 0.084 0.000 0.898 1547 Q HN 0.592 nan 8.270 nan 0.000 0.424 1548 F N 1.403 121.281 119.950 -0.120 0.000 2.043 1548 F HA -0.281 4.245 4.527 -0.003 0.000 0.297 1548 F C 1.909 177.590 175.800 -0.199 0.000 1.121 1548 F CA 1.495 59.392 58.000 -0.172 0.000 1.199 1548 F CB -0.303 38.544 39.000 -0.256 0.000 0.968 1548 F HN -0.018 nan 8.300 nan 0.000 0.478 1549 L N 0.119 121.271 121.223 -0.118 0.000 2.043 1549 L HA -0.269 4.069 4.340 -0.003 0.000 0.212 1549 L C 2.445 179.326 176.870 0.019 0.000 1.075 1549 L CA 1.976 56.805 54.840 -0.018 0.000 0.752 1549 L CB -0.853 41.141 42.059 -0.109 0.000 0.891 1549 L HN 0.294 nan 8.230 nan 0.000 0.432 1550 E N -0.718 119.459 120.200 -0.038 0.000 2.107 1550 E HA -0.186 4.162 4.350 -0.003 0.000 0.191 1550 E C 2.135 178.679 176.600 -0.093 0.000 0.982 1550 E CA 1.711 58.094 56.400 -0.027 0.000 0.809 1550 E CB -0.176 29.519 29.700 -0.008 0.000 0.756 1550 E HN 0.561 nan 8.360 nan 0.000 0.459 1551 T N -0.677 113.777 114.554 -0.166 0.000 3.035 1551 T HA -0.045 4.303 4.350 -0.003 0.000 0.268 1551 T C 1.583 176.095 174.700 -0.314 0.000 1.109 1551 T CA 0.688 62.667 62.100 -0.202 0.000 1.119 1551 T CB 0.151 68.904 68.868 -0.193 0.000 0.900 1551 T HN -0.027 nan 8.240 nan 0.000 0.503 1552 E N -0.159 119.759 120.200 -0.471 0.000 2.201 1552 E HA 0.165 4.513 4.350 -0.003 0.000 0.193 1552 E C -0.474 175.656 176.600 -0.783 0.000 0.957 1552 E CA 0.483 56.448 56.400 -0.724 0.000 0.858 1552 E CB 0.301 29.345 29.700 -1.094 0.000 0.816 1552 E HN 0.640 nan 8.360 nan 0.000 0.475 1553 Y N 0.437 120.653 120.300 -0.140 0.000 2.429 1553 Y HA 0.289 4.837 4.550 -0.003 0.000 0.342 1553 Y C 1.183 177.044 175.900 -0.065 0.000 1.004 1553 Y CA -0.720 57.334 58.100 -0.076 0.000 1.075 1553 Y CB 1.510 39.937 38.460 -0.054 0.000 1.214 1553 Y HN -0.280 nan 8.280 nan 0.000 0.455 1554 K N 0.978 121.429 120.400 0.084 0.000 2.360 1554 K HA -0.022 4.296 4.320 -0.003 0.000 0.201 1554 K C -0.048 176.579 176.600 0.044 0.000 1.046 1554 K CA 0.312 56.622 56.287 0.038 0.000 0.945 1554 K CB -0.056 32.461 32.500 0.028 0.000 0.750 1554 K HN 0.531 nan 8.250 nan 0.000 0.464 1555 V N 1.772 121.728 119.914 0.070 0.000 3.178 1555 V HA -0.058 4.060 4.120 -0.003 0.000 0.306 1555 V C 0.219 176.332 176.094 0.032 0.000 1.107 1555 V CA -0.031 62.293 62.300 0.040 0.000 1.195 1555 V CB 0.787 32.624 31.823 0.024 0.000 0.993 1555 V HN 0.153 nan 8.190 nan 0.000 0.493 1556 K N 3.678 124.093 120.400 0.025 0.000 2.339 1556 K HA 0.461 4.779 4.320 -0.003 0.000 0.264 1556 K C -1.028 175.593 176.600 0.036 0.000 0.986 1556 K CA -0.418 55.887 56.287 0.030 0.000 0.866 1556 K CB 0.669 33.186 32.500 0.028 0.000 1.103 1556 K HN 0.437 nan 8.250 nan 0.000 0.441 1557 I N 3.693 124.294 120.570 0.051 0.000 2.365 1557 I HA 0.174 4.342 4.170 -0.003 0.000 0.291 1557 I C 0.216 176.399 176.117 0.111 0.000 1.004 1557 I CA -0.583 60.764 61.300 0.078 0.000 1.311 1557 I CB 0.963 39.028 38.000 0.108 0.000 1.401 1557 I HN 0.688 nan 8.210 nan 0.000 0.491 1558 N N 9.624 128.399 118.700 0.124 0.000 2.415 1558 N HA 0.145 4.883 4.740 -0.003 0.000 0.250 1558 N C -1.592 174.019 175.510 0.168 0.000 1.127 1558 N CA -1.851 51.271 53.050 0.119 0.000 0.945 1558 N CB 1.032 39.582 38.487 0.105 0.000 1.196 1558 N HN 0.317 nan 8.380 nan 0.000 0.499 1559 P HA -0.088 nan 4.420 nan 0.000 0.231 1559 P C 0.771 178.086 177.300 0.025 0.000 1.158 1559 P CA 0.692 63.852 63.100 0.100 0.000 0.763 1559 P CB 0.454 32.192 31.700 0.063 0.000 0.805 1560 S N -0.550 115.179 115.700 0.048 0.000 2.548 1560 S HA 0.067 4.535 4.470 -0.003 0.000 0.215 1560 S C 0.909 175.539 174.600 0.050 0.000 0.976 1560 S CA -0.247 57.969 58.200 0.026 0.000 0.908 1560 S CB -0.499 62.717 63.200 0.026 0.000 0.781 1560 S HN 0.290 nan 8.310 nan 0.000 0.519 1561 S N 1.562 117.312 115.700 0.082 0.000 2.592 1561 S HA 0.406 4.874 4.470 -0.003 0.000 0.271 1561 S C 0.089 174.690 174.600 0.002 0.000 1.326 1561 S CA -0.756 57.480 58.200 0.061 0.000 1.024 1561 S CB 0.598 63.881 63.200 0.139 0.000 0.921 1561 S HN 0.530 nan 8.310 nan 0.000 0.527 1562 M N 3.065 122.483 119.600 -0.302 0.000 2.217 1562 M HA 0.280 4.758 4.480 -0.003 0.000 0.352 1562 M C -1.606 174.688 176.300 -0.010 0.000 1.376 1562 M CA -0.203 54.748 55.300 -0.582 0.000 1.107 1562 M CB -0.230 31.592 32.600 -1.296 0.000 1.723 1562 M HN 0.647 nan 8.290 nan 0.000 0.461 1563 F N 4.158 123.994 119.950 -0.191 0.000 2.405 1563 F HA 0.209 4.734 4.527 -0.003 0.000 0.358 1563 F C 0.286 176.024 175.800 -0.103 0.000 1.151 1563 F CA -0.739 57.212 58.000 -0.082 0.000 1.161 1563 F CB -0.158 38.848 39.000 0.009 0.000 1.245 1563 F HN 0.505 nan 8.300 nan 0.000 0.545 1564 D N 4.039 124.439 120.400 0.001 0.000 2.396 1564 D HA 0.381 5.019 4.640 -0.003 0.000 0.225 1564 D C -0.976 175.259 176.300 -0.108 0.000 1.121 1564 D CA -0.031 53.924 54.000 -0.074 0.000 0.853 1564 D CB 0.965 41.710 40.800 -0.091 0.000 1.043 1564 D HN 0.149 nan 8.370 nan 0.000 0.500 1565 V N 4.345 124.166 119.914 -0.155 0.000 2.604 1565 V HA 0.405 4.523 4.120 -0.003 0.000 0.305 1565 V C -0.216 175.696 176.094 -0.304 0.000 1.043 1565 V CA -0.840 61.340 62.300 -0.199 0.000 0.888 1565 V CB 1.811 33.570 31.823 -0.105 0.000 0.995 1565 V HN 0.529 nan 8.190 nan 0.000 0.429 1566 Q N 3.551 123.200 119.800 -0.252 0.000 2.490 1566 Q HA 0.603 4.941 4.340 -0.003 0.000 0.255 1566 Q C -1.461 174.359 176.000 -0.300 0.000 0.997 1566 Q CA -0.423 55.224 55.803 -0.260 0.000 0.709 1566 Q CB 1.847 30.463 28.738 -0.202 0.000 1.255 1566 Q HN 0.795 nan 8.270 nan 0.000 0.486 1567 V N 1.455 121.175 119.914 -0.323 0.000 2.444 1567 V HA 0.874 4.992 4.120 -0.003 0.000 0.294 1567 V C -0.831 174.960 176.094 -0.504 0.000 1.022 1567 V CA -0.492 61.413 62.300 -0.660 0.000 0.850 1567 V CB 1.090 32.231 31.823 -1.137 0.000 0.992 1567 V HN 0.802 nan 8.190 nan 0.000 0.426 1568 K N 2.644 122.819 120.400 -0.375 0.000 2.999 1568 K HA 0.453 4.771 4.320 -0.003 0.000 0.295 1568 K C -1.224 175.388 176.600 0.020 0.000 1.082 1568 K CA -1.223 55.039 56.287 -0.040 0.000 0.816 1568 K CB 0.871 33.329 32.500 -0.070 0.000 1.492 1568 K HN 0.409 nan 8.250 nan 0.000 0.362 1569 R N 0.991 121.548 120.500 0.095 0.000 2.623 1569 R HA 0.165 4.503 4.340 -0.003 0.000 0.271 1569 R C 0.289 176.620 176.300 0.051 0.000 1.043 1569 R CA -0.326 55.843 56.100 0.115 0.000 1.083 1569 R CB -0.194 30.202 30.300 0.159 0.000 0.974 1569 R HN 0.469 nan 8.270 nan 0.000 0.436 1570 I N 4.160 124.770 120.570 0.068 0.000 2.471 1570 I HA 0.099 4.267 4.170 -0.003 0.000 0.286 1570 I C 0.759 176.868 176.117 -0.013 0.000 1.079 1570 I CA 0.587 61.883 61.300 -0.007 0.000 1.398 1570 I CB -0.264 37.729 38.000 -0.011 0.000 1.403 1570 I HN 0.384 nan 8.210 nan 0.000 0.530 1571 H N 4.993 123.957 119.070 -0.177 0.000 3.094 1571 H HA 0.209 4.763 4.556 -0.003 0.000 0.346 1571 H C 0.326 175.528 175.328 -0.210 0.000 1.238 1571 H CA -0.393 55.599 56.048 -0.093 0.000 1.209 1571 H CB 1.696 31.441 29.762 -0.029 0.000 1.911 1571 H HN 0.601 nan 8.280 nan 0.000 0.540 1572 E N 1.880 122.203 120.200 0.205 0.000 2.110 1572 E HA -0.222 4.126 4.350 -0.003 0.000 0.193 1572 E C 1.311 177.707 176.600 -0.340 0.000 0.988 1572 E CA 1.713 58.150 56.400 0.061 0.000 0.804 1572 E CB -0.065 29.845 29.700 0.351 0.000 0.745 1572 E HN 0.572 nan 8.360 nan 0.000 0.458 1573 Y N 0.910 120.725 120.300 -0.808 0.000 2.421 1573 Y HA -0.021 4.527 4.550 -0.004 0.000 0.292 1573 Y C 1.579 177.185 175.900 -0.489 0.000 1.136 1573 Y CA 0.670 58.023 58.100 -1.246 0.000 1.255 1573 Y CB 0.054 37.776 38.460 -1.231 0.000 0.991 1573 Y HN -0.212 nan 8.280 nan 0.000 0.552 1574 K N 1.117 121.000 120.400 -0.863 0.000 2.228 1574 K HA 0.010 4.328 4.320 -0.003 0.000 0.202 1574 K C 0.399 176.800 176.600 -0.331 0.000 1.051 1574 K CA 0.949 56.848 56.287 -0.648 0.000 0.960 1574 K CB -0.214 31.949 32.500 -0.563 0.000 0.743 1574 K HN 0.459 nan 8.250 nan 0.000 0.458 1575 R N 1.333 121.675 120.500 -0.264 0.000 3.332 1575 R HA -0.130 4.208 4.340 -0.003 0.000 0.263 1575 R C 0.885 177.097 176.300 -0.146 0.000 1.053 1575 R CA 0.563 56.565 56.100 -0.164 0.000 0.705 1575 R CB -1.848 28.367 30.300 -0.142 0.000 1.166 1575 R HN 0.347 nan 8.270 nan 0.000 0.427 1576 Q N 0.264 119.981 119.800 -0.138 0.000 2.437 1576 Q HA -0.110 4.228 4.340 -0.003 0.000 0.210 1576 Q C 1.712 177.668 176.000 -0.072 0.000 0.972 1576 Q CA 0.963 56.701 55.803 -0.107 0.000 0.903 1576 Q CB 0.042 28.725 28.738 -0.093 0.000 0.967 1576 Q HN 0.676 nan 8.270 nan 0.000 0.486 1577 L N 0.300 121.482 121.223 -0.069 0.000 2.056 1577 L HA -0.163 4.175 4.340 -0.003 0.000 0.207 1577 L C 2.215 179.092 176.870 0.013 0.000 1.078 1577 L CA 0.782 55.599 54.840 -0.038 0.000 0.749 1577 L CB -0.210 41.832 42.059 -0.029 0.000 0.901 1577 L HN 0.242 nan 8.230 nan 0.000 0.433 1578 L N 0.225 121.445 121.223 -0.003 0.000 2.042 1578 L HA -0.284 4.054 4.340 -0.003 0.000 0.210 1578 L C 2.020 178.969 176.870 0.131 0.000 1.076 1578 L CA 2.221 57.084 54.840 0.038 0.000 0.749 1578 L CB -1.000 40.967 42.059 -0.154 0.000 0.893 1578 L HN 0.351 nan 8.230 nan 0.000 0.432 1579 N N -1.746 116.984 118.700 0.049 0.000 2.084 1579 N HA -0.273 4.465 4.740 -0.003 0.000 0.190 1579 N C 2.164 177.777 175.510 0.171 0.000 1.030 1579 N CA 1.463 54.624 53.050 0.184 0.000 0.849 1579 N CB -0.301 38.214 38.487 0.047 0.000 1.012 1579 N HN 0.577 nan 8.380 nan 0.000 0.423 1580 C N 0.656 119.991 119.300 0.059 0.000 2.413 1580 C HA -0.037 4.421 4.460 -0.003 0.000 0.276 1580 C C 2.553 177.561 174.990 0.031 0.000 1.248 1580 C CA 0.464 59.474 59.018 -0.013 0.000 1.742 1580 C CB -1.387 26.297 27.740 -0.094 0.000 2.017 1580 C HN 0.496 nan 8.230 nan 0.000 0.481 1581 L N -0.309 120.992 121.223 0.131 0.000 2.046 1581 L HA -0.176 4.162 4.340 -0.003 0.000 0.208 1581 L C 2.828 179.862 176.870 0.273 0.000 1.077 1581 L CA 2.110 57.078 54.840 0.213 0.000 0.747 1581 L CB -1.206 41.056 42.059 0.338 0.000 0.896 1581 L HN 0.575 nan 8.230 nan 0.000 0.432 1582 H N -0.012 119.178 119.070 0.201 0.000 2.389 1582 H HA -0.112 4.442 4.556 -0.003 0.000 0.299 1582 H C 2.177 177.521 175.328 0.027 0.000 1.081 1582 H CA 1.664 57.748 56.048 0.060 0.000 1.345 1582 H CB 0.362 30.072 29.762 -0.087 0.000 1.393 1582 H HN 0.112 nan 8.280 nan 0.000 0.520 1583 V N 1.498 121.396 119.914 -0.027 0.000 2.295 1583 V HA -0.253 3.865 4.120 -0.003 0.000 0.246 1583 V C 2.843 178.897 176.094 -0.067 0.000 1.049 1583 V CA 1.737 63.982 62.300 -0.092 0.000 1.024 1583 V CB -0.469 31.320 31.823 -0.057 0.000 0.648 1583 V HN 0.375 nan 8.190 nan 0.000 0.447 1584 I N -0.155 120.402 120.570 -0.022 0.000 2.315 1584 I HA -0.216 3.952 4.170 -0.003 0.000 0.248 1584 I C 2.506 178.694 176.117 0.118 0.000 1.117 1584 I CA 1.659 63.016 61.300 0.095 0.000 1.404 1584 I CB -0.705 37.354 38.000 0.099 0.000 1.071 1584 I HN 0.316 nan 8.210 nan 0.000 0.419 1585 T N 0.920 115.492 114.554 0.031 0.000 2.746 1585 T HA -0.172 4.176 4.350 -0.003 0.000 0.267 1585 T C 1.946 176.588 174.700 -0.097 0.000 1.039 1585 T CA 1.451 63.549 62.100 -0.003 0.000 1.142 1585 T CB -0.160 68.721 68.868 0.021 0.000 0.866 1585 T HN 0.264 nan 8.240 nan 0.000 0.444 1586 M N -0.304 119.173 119.600 -0.204 0.000 2.132 1586 M HA -0.056 4.422 4.480 -0.003 0.000 0.263 1586 M C 2.217 178.442 176.300 -0.126 0.000 1.065 1586 M CA 1.557 56.745 55.300 -0.186 0.000 1.122 1586 M CB -0.473 32.009 32.600 -0.196 0.000 1.365 1586 M HN 0.278 nan 8.290 nan 0.000 0.411 1587 Y N 1.952 122.165 120.300 -0.145 0.000 2.128 1587 Y HA -0.259 4.289 4.550 -0.003 0.000 0.284 1587 Y C 2.063 177.908 175.900 -0.092 0.000 1.154 1587 Y CA 1.771 59.814 58.100 -0.094 0.000 1.149 1587 Y CB -0.587 37.885 38.460 0.020 0.000 0.976 1587 Y HN 0.256 nan 8.280 nan 0.000 0.505 1588 N N 0.440 119.023 118.700 -0.194 0.000 2.289 1588 N HA -0.130 4.608 4.740 -0.003 0.000 0.184 1588 N C 1.832 177.180 175.510 -0.269 0.000 1.016 1588 N CA 1.288 54.158 53.050 -0.300 0.000 0.872 1588 N CB -0.295 38.110 38.487 -0.138 0.000 0.973 1588 N HN 0.498 nan 8.380 nan 0.000 0.433 1589 R N 0.326 120.696 120.500 -0.217 0.000 2.073 1589 R HA 0.146 4.484 4.340 -0.003 0.000 0.229 1589 R C 2.217 178.372 176.300 -0.241 0.000 1.120 1589 R CA 0.583 56.571 56.100 -0.187 0.000 0.967 1589 R CB -0.142 30.074 30.300 -0.140 0.000 0.862 1589 R HN 0.204 nan 8.270 nan 0.000 0.436 1590 I N 1.123 121.495 120.570 -0.329 0.000 2.179 1590 I HA -0.290 3.878 4.170 -0.003 0.000 0.242 1590 I C 2.141 178.086 176.117 -0.287 0.000 1.088 1590 I CA 1.259 62.353 61.300 -0.343 0.000 1.357 1590 I CB -0.231 37.536 38.000 -0.388 0.000 1.051 1590 I HN 0.071 nan 8.210 nan 0.000 0.409 1591 K N 0.779 120.953 120.400 -0.377 0.000 2.026 1591 K HA -0.196 4.122 4.320 -0.003 0.000 0.208 1591 K C 2.078 178.555 176.600 -0.206 0.000 1.048 1591 K CA 1.087 57.186 56.287 -0.314 0.000 0.929 1591 K CB -0.501 31.736 32.500 -0.439 0.000 0.713 1591 K HN 0.151 nan 8.250 nan 0.000 0.439 1592 K N 1.232 121.511 120.400 -0.202 0.000 2.209 1592 K HA -0.143 4.175 4.320 -0.003 0.000 0.204 1592 K C 0.003 176.538 176.600 -0.109 0.000 1.048 1592 K CA 1.101 57.304 56.287 -0.139 0.000 0.940 1592 K CB 0.101 32.523 32.500 -0.130 0.000 0.729 1592 K HN 0.026 nan 8.250 nan 0.000 0.451 1593 D N -0.609 119.720 120.400 -0.118 0.000 2.846 1593 D HA 0.200 4.838 4.640 -0.003 0.000 0.279 1593 D C -2.317 173.928 176.300 -0.092 0.000 1.222 1593 D CA -1.651 52.297 54.000 -0.087 0.000 0.769 1593 D CB 0.956 41.716 40.800 -0.067 0.000 1.299 1593 D HN -0.156 nan 8.370 nan 0.000 0.537 1594 P HA -0.121 nan 4.420 nan 0.000 0.225 1594 P C 0.532 177.797 177.300 -0.057 0.000 1.141 1594 P CA 1.155 64.202 63.100 -0.087 0.000 0.774 1594 P CB 0.274 31.933 31.700 -0.069 0.000 0.760 1595 K N -1.812 118.564 120.400 -0.041 0.000 2.402 1595 K HA 0.093 4.411 4.320 -0.003 0.000 0.204 1595 K C 0.752 177.353 176.600 0.001 0.000 1.056 1595 K CA -0.359 55.918 56.287 -0.016 0.000 1.069 1595 K CB 0.541 33.033 32.500 -0.012 0.000 0.888 1595 K HN 0.075 nan 8.250 nan 0.000 0.546 1596 K N 2.009 122.406 120.400 -0.003 0.000 2.440 1596 K HA 0.046 4.364 4.320 -0.003 0.000 0.270 1596 K C -0.303 176.338 176.600 0.069 0.000 0.980 1596 K CA -0.151 56.150 56.287 0.023 0.000 0.953 1596 K CB 0.436 32.945 32.500 0.016 0.000 0.925 1596 K HN -0.004 nan 8.250 nan 0.000 0.497 1597 L N 4.447 125.713 121.223 0.072 0.000 2.534 1597 L HA 0.150 4.488 4.340 -0.003 0.000 0.271 1597 L C -0.130 176.839 176.870 0.165 0.000 1.178 1597 L CA 0.079 54.972 54.840 0.089 0.000 0.907 1597 L CB -0.335 41.754 42.059 0.050 0.000 1.164 1597 L HN 0.488 nan 8.230 nan 0.000 0.482 1598 F N 3.453 123.395 119.950 -0.012 0.000 2.574 1598 F HA 0.471 4.997 4.527 -0.003 0.000 0.313 1598 F C -0.571 175.221 175.800 -0.012 0.000 1.130 1598 F CA -0.801 57.189 58.000 -0.018 0.000 0.936 1598 F CB 1.418 40.402 39.000 -0.027 0.000 1.219 1598 F HN -0.012 nan 8.300 nan 0.000 0.445 1599 V N 7.599 127.051 119.914 -0.770 0.000 2.470 1599 V HA 0.238 4.356 4.120 -0.003 0.000 0.276 1599 V C -1.967 173.561 176.094 -0.943 0.000 1.040 1599 V CA -1.354 60.581 62.300 -0.609 0.000 1.008 1599 V CB 0.482 32.027 31.823 -0.462 0.000 0.990 1599 V HN 0.580 nan 8.190 nan 0.000 0.477 1600 P HA 0.307 nan 4.420 nan 0.000 0.271 1600 P C -0.489 176.735 177.300 -0.127 0.000 1.218 1600 P CA -0.104 62.986 63.100 -0.017 0.000 0.780 1600 P CB 0.586 32.333 31.700 0.079 0.000 0.901 1601 R N 0.885 121.411 120.500 0.043 0.000 2.771 1601 R HA 0.598 4.936 4.340 -0.003 0.000 0.274 1601 R C -0.841 175.478 176.300 0.031 0.000 0.987 1601 R CA -0.660 55.425 56.100 -0.024 0.000 0.908 1601 R CB 2.024 32.305 30.300 -0.032 0.000 1.213 1601 R HN 0.292 nan 8.270 nan 0.000 0.468 1602 T N 1.759 116.309 114.554 -0.007 0.000 2.864 1602 T HA 0.233 4.581 4.350 -0.003 0.000 0.310 1602 T C -0.432 174.177 174.700 -0.152 0.000 1.040 1602 T CA -0.463 61.575 62.100 -0.102 0.000 0.977 1602 T CB 1.160 69.868 68.868 -0.267 0.000 0.976 1602 T HN 0.135 nan 8.240 nan 0.000 0.459 1603 V N 5.945 125.791 119.914 -0.113 0.000 2.385 1603 V HA 0.423 4.541 4.120 -0.003 0.000 0.269 1603 V C 0.068 176.071 176.094 -0.152 0.000 1.043 1603 V CA -0.509 61.725 62.300 -0.109 0.000 0.906 1603 V CB 0.471 32.258 31.823 -0.059 0.000 0.995 1603 V HN 0.771 nan 8.190 nan 0.000 0.467 1604 I N 6.688 127.156 120.570 -0.171 0.000 2.389 1604 I HA 0.528 4.696 4.170 -0.003 0.000 0.288 1604 I C -0.509 175.481 176.117 -0.211 0.000 0.999 1604 I CA -0.281 60.904 61.300 -0.191 0.000 1.129 1604 I CB 1.611 39.512 38.000 -0.165 0.000 1.288 1604 I HN 0.413 nan 8.210 nan 0.000 0.444 1605 I N 5.275 125.688 120.570 -0.262 0.000 2.466 1605 I HA 0.667 4.835 4.170 -0.003 0.000 0.289 1605 I C 0.139 175.876 176.117 -0.634 0.000 1.026 1605 I CA -0.361 60.746 61.300 -0.321 0.000 1.078 1605 I CB 2.098 39.992 38.000 -0.178 0.000 1.249 1605 I HN 0.664 nan 8.210 nan 0.000 0.429 1606 G N 3.131 111.550 108.800 -0.635 0.000 2.672 1606 G HA2 0.869 4.827 3.960 -0.003 0.000 0.292 1606 G HA3 0.869 4.827 3.960 -0.003 0.000 0.292 1606 G C -0.935 173.670 174.900 -0.492 0.000 1.375 1606 G CA -0.847 43.770 45.100 -0.806 0.000 0.890 1606 G HN 0.968 nan 8.290 nan 0.000 0.476 1607 G N -0.523 108.143 108.800 -0.224 0.000 2.337 1607 G HA2 0.387 4.345 3.960 -0.003 0.000 0.310 1607 G HA3 0.387 4.345 3.960 -0.003 0.000 0.310 1607 G C -1.288 173.749 174.900 0.228 0.000 1.534 1607 G CA -1.032 44.111 45.100 0.073 0.000 0.982 1607 G HN 0.605 nan 8.290 nan 0.000 0.672 1608 K N -0.087 120.447 120.400 0.223 0.000 2.110 1608 K HA 0.757 5.075 4.320 -0.003 0.000 0.263 1608 K C 0.226 176.988 176.600 0.271 0.000 0.975 1608 K CA -0.219 56.224 56.287 0.261 0.000 0.895 1608 K CB 2.092 34.626 32.500 0.056 0.000 1.060 1608 K HN 0.885 nan 8.250 nan 0.000 0.448 1609 A N 1.377 124.394 122.820 0.328 0.000 2.324 1609 A HA 0.656 4.974 4.320 -0.003 0.000 0.330 1609 A C -0.492 177.274 177.584 0.304 0.000 1.165 1609 A CA -0.750 51.416 52.037 0.215 0.000 0.813 1609 A CB 1.101 20.147 19.000 0.078 0.000 1.197 1609 A HN 0.776 nan 8.150 nan 0.000 0.484 1610 A N 3.233 126.217 122.820 0.274 0.000 2.511 1610 A HA 0.485 4.803 4.320 -0.003 0.000 0.242 1610 A C -1.400 176.255 177.584 0.118 0.000 1.069 1610 A CA -0.845 51.340 52.037 0.247 0.000 0.763 1610 A CB -0.390 18.732 19.000 0.204 0.000 1.001 1610 A HN 0.598 nan 8.150 nan 0.000 0.498 1611 P HA -0.171 nan 4.420 nan 0.000 0.217 1611 P C 1.252 178.531 177.300 -0.035 0.000 1.151 1611 P CA 2.135 65.170 63.100 -0.108 0.000 0.849 1611 P CB 0.207 31.798 31.700 -0.181 0.000 0.787 1612 G N -3.383 105.413 108.800 -0.008 0.000 3.337 1612 G HA2 -0.064 3.894 3.960 -0.003 0.000 0.246 1612 G HA3 -0.064 3.894 3.960 -0.003 0.000 0.246 1612 G C -0.375 174.524 174.900 -0.002 0.000 1.131 1612 G CA 0.006 45.098 45.100 -0.012 0.000 0.773 1612 G HN 0.154 nan 8.290 nan 0.000 0.544 1613 Y N 2.067 122.283 120.300 -0.140 0.000 2.691 1613 Y HA 0.247 4.795 4.550 -0.003 0.000 0.338 1613 Y C 1.372 177.236 175.900 -0.060 0.000 1.148 1613 Y CA -1.963 56.031 58.100 -0.176 0.000 1.430 1613 Y CB -0.584 37.750 38.460 -0.210 0.000 1.303 1613 Y HN 0.371 nan 8.280 nan 0.000 0.499 1614 H N 4.111 123.289 119.070 0.180 0.000 2.265 1614 H HA -0.190 4.364 4.556 -0.003 0.000 0.295 1614 H C 1.632 176.992 175.328 0.054 0.000 1.084 1614 H CA 2.242 58.346 56.048 0.094 0.000 1.261 1614 H CB 0.468 30.275 29.762 0.075 0.000 1.360 1614 H HN 0.513 nan 8.280 nan 0.000 0.487 1615 M N 0.643 120.249 119.600 0.010 0.000 2.149 1615 M HA -0.126 4.352 4.480 -0.003 0.000 0.261 1615 M C 2.693 178.782 176.300 -0.353 0.000 1.064 1615 M CA 1.413 56.633 55.300 -0.134 0.000 1.102 1615 M CB -1.304 31.336 32.600 0.067 0.000 1.369 1615 M HN 0.414 nan 8.290 nan 0.000 0.408 1616 A N -0.267 122.117 122.820 -0.726 0.000 1.902 1616 A HA -0.198 4.120 4.320 -0.003 0.000 0.217 1616 A C 2.246 179.641 177.584 -0.314 0.000 1.181 1616 A CA 1.724 53.339 52.037 -0.703 0.000 0.623 1616 A CB -0.535 17.813 19.000 -1.087 0.000 0.818 1616 A HN 0.496 nan 8.150 nan 0.000 0.443 1617 K N -1.182 119.086 120.400 -0.219 0.000 2.147 1617 K HA -0.081 4.237 4.320 -0.003 0.000 0.205 1617 K C 2.002 178.577 176.600 -0.042 0.000 1.049 1617 K CA 1.330 57.577 56.287 -0.067 0.000 0.936 1617 K CB -0.225 32.286 32.500 0.018 0.000 0.722 1617 K HN 0.354 nan 8.250 nan 0.000 0.446 1618 M N 0.525 120.053 119.600 -0.120 0.000 2.132 1618 M HA -0.084 4.394 4.480 -0.003 0.000 0.263 1618 M C 2.154 178.409 176.300 -0.075 0.000 1.065 1618 M CA 1.442 56.715 55.300 -0.045 0.000 1.122 1618 M CB -0.678 31.883 32.600 -0.065 0.000 1.365 1618 M HN 0.122 nan 8.290 nan 0.000 0.411 1619 I N -0.187 120.304 120.570 -0.131 0.000 2.286 1619 I HA -0.309 3.859 4.170 -0.003 0.000 0.248 1619 I C 2.301 178.312 176.117 -0.177 0.000 1.115 1619 I CA 1.061 62.273 61.300 -0.147 0.000 1.392 1619 I CB -0.327 37.586 38.000 -0.146 0.000 1.065 1619 I HN 0.199 nan 8.210 nan 0.000 0.418 1620 I N 0.340 120.791 120.570 -0.199 0.000 2.202 1620 I HA -0.272 3.896 4.170 -0.003 0.000 0.242 1620 I C 2.652 178.502 176.117 -0.445 0.000 1.091 1620 I CA 1.159 62.255 61.300 -0.340 0.000 1.368 1620 I CB -0.428 37.338 38.000 -0.390 0.000 1.058 1620 I HN 0.153 nan 8.210 nan 0.000 0.410 1621 K N 1.167 121.302 120.400 -0.441 0.000 2.147 1621 K HA -0.160 4.158 4.320 -0.003 0.000 0.205 1621 K C 2.106 178.503 176.600 -0.337 0.000 1.049 1621 K CA 1.287 57.200 56.287 -0.622 0.000 0.936 1621 K CB -0.414 31.361 32.500 -1.209 0.000 0.722 1621 K HN 0.322 nan 8.250 nan 0.000 0.446 1622 L N 0.656 121.723 121.223 -0.261 0.000 1.994 1622 L HA -0.201 4.137 4.340 -0.003 0.000 0.208 1622 L C 2.337 178.959 176.870 -0.413 0.000 1.071 1622 L CA 1.367 55.911 54.840 -0.493 0.000 0.745 1622 L CB -0.305 41.405 42.059 -0.583 0.000 0.892 1622 L HN 0.137 nan 8.230 nan 0.000 0.431 1623 I N -0.088 120.297 120.570 -0.308 0.000 2.163 1623 I HA -0.355 3.813 4.170 -0.003 0.000 0.243 1623 I C 2.637 178.625 176.117 -0.215 0.000 1.085 1623 I CA 2.017 63.185 61.300 -0.219 0.000 1.347 1623 I CB -0.667 37.306 38.000 -0.045 0.000 1.044 1623 I HN 0.462 nan 8.210 nan 0.000 0.408 1624 T N -2.379 112.019 114.554 -0.259 0.000 2.788 1624 T HA -0.122 4.226 4.350 -0.003 0.000 0.268 1624 T C 1.976 176.561 174.700 -0.191 0.000 1.044 1624 T CA 1.566 63.534 62.100 -0.220 0.000 1.139 1624 T CB -0.469 68.221 68.868 -0.298 0.000 0.867 1624 T HN 0.210 nan 8.240 nan 0.000 0.454 1625 S N 1.107 116.681 115.700 -0.209 0.000 2.348 1625 S HA -0.045 4.423 4.470 -0.003 0.000 0.221 1625 S C 2.262 176.767 174.600 -0.158 0.000 1.033 1625 S CA 1.189 59.320 58.200 -0.115 0.000 1.010 1625 S CB -0.696 62.518 63.200 0.022 0.000 0.891 1625 S HN 0.392 nan 8.310 nan 0.000 0.442 1626 V N 2.224 121.911 119.914 -0.380 0.000 2.332 1626 V HA -0.255 3.863 4.120 -0.003 0.000 0.248 1626 V C 2.649 178.561 176.094 -0.303 0.000 1.055 1626 V CA 1.797 63.745 62.300 -0.586 0.000 1.038 1626 V CB -1.265 30.104 31.823 -0.757 0.000 0.651 1626 V HN 0.547 nan 8.190 nan 0.000 0.450 1627 A N -0.279 122.408 122.820 -0.222 0.000 1.908 1627 A HA -0.280 4.038 4.320 -0.003 0.000 0.218 1627 A C 2.030 179.549 177.584 -0.109 0.000 1.181 1627 A CA 2.099 54.047 52.037 -0.148 0.000 0.627 1627 A CB -0.663 18.270 19.000 -0.112 0.000 0.818 1627 A HN 0.550 nan 8.150 nan 0.000 0.445 1628 D N -0.343 120.002 120.400 -0.091 0.000 2.123 1628 D HA -0.107 4.531 4.640 -0.003 0.000 0.196 1628 D C 2.099 178.364 176.300 -0.058 0.000 0.992 1628 D CA 1.491 55.456 54.000 -0.058 0.000 0.833 1628 D CB -0.346 40.426 40.800 -0.045 0.000 0.954 1628 D HN 0.237 nan 8.370 nan 0.000 0.455 1629 V N 0.625 120.500 119.914 -0.064 0.000 2.307 1629 V HA -0.190 3.928 4.120 -0.003 0.000 0.245 1629 V C 2.683 178.691 176.094 -0.143 0.000 1.045 1629 V CA 0.983 63.234 62.300 -0.083 0.000 1.024 1629 V CB -0.424 31.401 31.823 0.002 0.000 0.651 1629 V HN 0.038 nan 8.190 nan 0.000 0.449 1630 V N 0.831 120.616 119.914 -0.215 0.000 2.261 1630 V HA -0.238 3.880 4.120 -0.003 0.000 0.246 1630 V C 2.266 178.338 176.094 -0.037 0.000 1.047 1630 V CA 2.205 64.399 62.300 -0.176 0.000 1.015 1630 V CB -0.894 30.829 31.823 -0.167 0.000 0.642 1630 V HN 0.575 nan 8.190 nan 0.000 0.446 1631 N N 0.811 119.484 118.700 -0.045 0.000 2.364 1631 N HA -0.098 4.640 4.740 -0.003 0.000 0.183 1631 N C 1.299 176.810 175.510 0.002 0.000 1.022 1631 N CA 1.032 54.072 53.050 -0.017 0.000 0.883 1631 N CB -0.362 38.109 38.487 -0.026 0.000 0.965 1631 N HN 0.551 nan 8.380 nan 0.000 0.438 1632 N N 0.413 119.113 118.700 -0.001 0.000 2.205 1632 N HA -0.042 4.696 4.740 -0.003 0.000 0.201 1632 N C -0.420 175.108 175.510 0.030 0.000 1.128 1632 N CA -0.013 53.043 53.050 0.010 0.000 0.867 1632 N CB 0.611 39.097 38.487 -0.002 0.000 0.996 1632 N HN 0.150 nan 8.380 nan 0.000 0.503 1633 D N 2.130 122.566 120.400 0.060 0.000 2.352 1633 D HA 0.136 4.774 4.640 -0.003 0.000 0.245 1633 D C -1.593 174.756 176.300 0.083 0.000 1.224 1633 D CA -1.898 52.167 54.000 0.108 0.000 0.879 1633 D CB 1.762 42.714 40.800 0.252 0.000 1.057 1633 D HN -0.035 nan 8.370 nan 0.000 0.491 1634 P HA -0.193 nan 4.420 nan 0.000 0.217 1634 P C 1.361 178.678 177.300 0.028 0.000 1.151 1634 P CA 1.082 64.202 63.100 0.034 0.000 0.849 1634 P CB 0.172 31.887 31.700 0.025 0.000 0.787 1635 M N -0.824 118.793 119.600 0.030 0.000 2.229 1635 M HA -0.084 4.394 4.480 -0.003 0.000 0.264 1635 M C 1.801 178.095 176.300 -0.010 0.000 1.063 1635 M CA 1.336 56.636 55.300 0.001 0.000 1.114 1635 M CB -0.986 31.603 32.600 -0.018 0.000 1.387 1635 M HN -0.132 nan 8.290 nan 0.000 0.420 1636 V N -2.950 116.976 119.914 0.021 0.000 2.446 1636 V HA 0.291 4.409 4.120 -0.003 0.000 0.244 1636 V C 1.736 177.836 176.094 0.010 0.000 1.039 1636 V CA 0.892 63.192 62.300 0.001 0.000 1.045 1636 V CB -1.794 30.075 31.823 0.077 0.000 0.681 1636 V HN 0.554 nan 8.190 nan 0.000 0.459 1637 G N 1.486 110.305 108.800 0.031 0.000 2.652 1637 G HA2 -0.459 3.499 3.960 -0.003 0.000 0.318 1637 G HA3 -0.459 3.499 3.960 -0.003 0.000 0.318 1637 G C 1.179 176.100 174.900 0.035 0.000 1.295 1637 G CA 2.294 47.412 45.100 0.029 0.000 0.999 1637 G HN 1.781 nan 8.290 nan 0.000 0.548 1638 S N 0.401 116.125 115.700 0.040 0.000 2.660 1638 S HA 0.107 4.575 4.470 -0.003 0.000 0.228 1638 S C 1.791 176.441 174.600 0.083 0.000 0.966 1638 S CA 1.482 59.715 58.200 0.056 0.000 0.940 1638 S CB -0.025 63.208 63.200 0.055 0.000 0.773 1638 S HN 0.734 nan 8.310 nan 0.000 0.535 1639 K N -0.125 120.319 120.400 0.073 0.000 2.097 1639 K HA 0.182 4.500 4.320 -0.003 0.000 0.205 1639 K C 0.126 176.849 176.600 0.206 0.000 1.050 1639 K CA 0.708 57.070 56.287 0.125 0.000 0.938 1639 K CB -0.125 32.349 32.500 -0.043 0.000 0.718 1639 K HN 0.419 nan 8.250 nan 0.000 0.442 1640 L N 0.414 121.696 121.223 0.098 0.000 2.526 1640 L HA 0.354 4.692 4.340 -0.003 0.000 0.263 1640 L C -2.031 174.866 176.870 0.046 0.000 0.943 1640 L CA -0.553 54.349 54.840 0.104 0.000 0.859 1640 L CB 1.898 43.996 42.059 0.065 0.000 1.313 1640 L HN -0.271 nan 8.230 nan 0.000 0.406 1641 K N 3.857 124.270 120.400 0.022 0.000 2.378 1641 K HA 0.773 5.091 4.320 -0.003 0.000 0.252 1641 K C -1.539 175.023 176.600 -0.063 0.000 0.931 1641 K CA -0.605 55.669 56.287 -0.022 0.000 0.794 1641 K CB 2.594 35.079 32.500 -0.025 0.000 1.181 1641 K HN 0.410 nan 8.250 nan 0.000 0.425 1642 V N 3.996 123.861 119.914 -0.082 0.000 2.540 1642 V HA 0.539 4.657 4.120 -0.003 0.000 0.302 1642 V C -0.373 175.636 176.094 -0.140 0.000 1.035 1642 V CA -0.915 61.320 62.300 -0.108 0.000 0.873 1642 V CB 1.846 33.607 31.823 -0.104 0.000 0.992 1642 V HN 0.524 nan 8.190 nan 0.000 0.428 1643 I N 4.264 124.725 120.570 -0.181 0.000 2.533 1643 I HA 0.387 4.555 4.170 -0.003 0.000 0.290 1643 I C -0.871 175.114 176.117 -0.219 0.000 1.056 1643 I CA -0.596 60.538 61.300 -0.276 0.000 1.057 1643 I CB 1.930 39.686 38.000 -0.406 0.000 1.240 1643 I HN 0.636 nan 8.210 nan 0.000 0.423 1644 F N 6.698 126.475 119.950 -0.289 0.000 2.350 1644 F HA 0.365 4.890 4.527 -0.003 0.000 0.365 1644 F C 0.050 175.766 175.800 -0.141 0.000 1.122 1644 F CA -0.428 57.471 58.000 -0.168 0.000 1.139 1644 F CB 0.621 39.559 39.000 -0.103 0.000 1.220 1644 F HN 0.321 nan 8.300 nan 0.000 0.499 1645 L N 6.753 127.699 121.223 -0.463 0.000 2.565 1645 L HA 0.096 4.434 4.340 -0.003 0.000 0.275 1645 L C 0.221 177.086 176.870 -0.009 0.000 1.137 1645 L CA 0.257 55.020 54.840 -0.128 0.000 0.915 1645 L CB 0.080 42.093 42.059 -0.076 0.000 1.232 1645 L HN 0.672 nan 8.230 nan 0.000 0.473 1646 E N 3.666 124.082 120.200 0.359 0.000 2.366 1646 E HA -0.028 4.320 4.350 -0.003 0.000 0.266 1646 E C 0.564 177.360 176.600 0.326 0.000 1.051 1646 E CA -0.257 56.386 56.400 0.406 0.000 0.884 1646 E CB 0.455 30.419 29.700 0.440 0.000 1.006 1646 E HN 0.525 nan 8.360 nan 0.000 0.417 1647 N N 1.691 120.568 118.700 0.295 0.000 2.725 1647 N HA -0.262 4.476 4.740 -0.003 0.000 0.251 1647 N C -1.361 174.263 175.510 0.189 0.000 1.031 1647 N CA 0.420 53.598 53.050 0.214 0.000 0.720 1647 N CB -1.430 37.172 38.487 0.192 0.000 0.930 1647 N HN 0.441 nan 8.380 nan 0.000 0.543 1648 Y N 1.505 121.847 120.300 0.069 0.000 2.721 1648 Y HA 0.143 4.691 4.550 -0.003 0.000 0.329 1648 Y C 1.099 177.026 175.900 0.045 0.000 1.211 1648 Y CA 0.527 58.646 58.100 0.033 0.000 1.512 1648 Y CB 0.244 38.693 38.460 -0.019 0.000 1.249 1648 Y HN 0.360 nan 8.280 nan 0.000 0.549 1649 R N 2.610 122.816 120.500 -0.491 0.000 2.747 1649 R HA 0.470 4.808 4.340 -0.003 0.000 0.272 1649 R C -0.317 175.686 176.300 -0.495 0.000 1.032 1649 R CA -0.647 55.239 56.100 -0.356 0.000 0.896 1649 R CB 0.399 30.670 30.300 -0.049 0.000 1.253 1649 R HN 0.353 nan 8.270 nan 0.000 0.461 1650 V N 1.116 120.746 119.914 -0.475 0.000 2.231 1650 V HA -0.338 3.780 4.120 -0.003 0.000 0.250 1650 V C 2.556 178.519 176.094 -0.218 0.000 1.058 1650 V CA 3.022 65.093 62.300 -0.381 0.000 1.022 1650 V CB -0.883 30.673 31.823 -0.444 0.000 0.640 1650 V HN 0.955 nan 8.190 nan 0.000 0.445 1651 S N -0.501 115.095 115.700 -0.174 0.000 2.399 1651 S HA -0.164 4.304 4.470 -0.003 0.000 0.231 1651 S C 2.007 176.541 174.600 -0.111 0.000 1.022 1651 S CA 1.706 59.826 58.200 -0.134 0.000 0.983 1651 S CB -0.548 62.605 63.200 -0.078 0.000 0.803 1651 S HN 0.517 nan 8.310 nan 0.000 0.480 1652 L N 0.811 121.970 121.223 -0.108 0.000 2.131 1652 L HA 0.088 4.426 4.340 -0.003 0.000 0.206 1652 L C 2.922 179.766 176.870 -0.043 0.000 1.087 1652 L CA 1.111 55.911 54.840 -0.067 0.000 0.767 1652 L CB -0.848 41.223 42.059 0.019 0.000 0.917 1652 L HN 0.482 nan 8.230 nan 0.000 0.441 1653 A N 0.003 122.775 122.820 -0.080 0.000 1.940 1653 A HA -0.252 4.066 4.320 -0.003 0.000 0.219 1653 A C 1.927 179.559 177.584 0.080 0.000 1.176 1653 A CA 1.733 53.812 52.037 0.070 0.000 0.631 1653 A CB -0.475 18.523 19.000 -0.005 0.000 0.814 1653 A HN 0.549 nan 8.150 nan 0.000 0.446 1654 E N -0.412 119.809 120.200 0.035 0.000 2.333 1654 E HA -0.161 4.187 4.350 -0.003 0.000 0.198 1654 E C 1.824 178.375 176.600 -0.081 0.000 1.007 1654 E CA 1.122 57.497 56.400 -0.042 0.000 0.845 1654 E CB -0.045 29.530 29.700 -0.207 0.000 0.766 1654 E HN 0.633 nan 8.360 nan 0.000 0.507 1655 K N 0.092 120.424 120.400 -0.113 0.000 2.121 1655 K HA 0.027 4.345 4.320 -0.003 0.000 0.203 1655 K C 2.198 178.574 176.600 -0.373 0.000 1.041 1655 K CA 0.425 56.623 56.287 -0.149 0.000 0.969 1655 K CB -0.137 32.290 32.500 -0.121 0.000 0.799 1655 K HN -0.055 nan 8.250 nan 0.000 0.456 1656 V N 2.283 121.868 119.914 -0.548 0.000 2.358 1656 V HA -0.186 3.932 4.120 -0.003 0.000 0.246 1656 V C 1.988 177.841 176.094 -0.402 0.000 1.047 1656 V CA 1.407 63.166 62.300 -0.902 0.000 1.035 1656 V CB -0.238 31.212 31.823 -0.622 0.000 0.658 1656 V HN 0.263 nan 8.190 nan 0.000 0.452 1657 I N 0.541 120.944 120.570 -0.280 0.000 2.151 1657 I HA -0.182 3.986 4.170 -0.003 0.000 0.243 1657 I C -0.192 175.843 176.117 -0.138 0.000 1.080 1657 I CA 1.964 63.053 61.300 -0.351 0.000 1.339 1657 I CB -1.635 36.022 38.000 -0.571 0.000 1.039 1657 I HN 0.375 nan 8.210 nan 0.000 0.409 1658 P HA -0.110 nan 4.420 nan 0.000 0.225 1658 P C 0.755 178.054 177.300 -0.003 0.000 1.148 1658 P CA 1.210 64.288 63.100 -0.037 0.000 0.779 1658 P CB 0.054 31.732 31.700 -0.036 0.000 0.780 1659 A N -1.785 121.023 122.820 -0.019 0.000 2.379 1659 A HA 0.187 4.505 4.320 -0.003 0.000 0.236 1659 A C 0.711 178.391 177.584 0.161 0.000 1.272 1659 A CA 0.315 52.385 52.037 0.055 0.000 0.886 1659 A CB -0.679 18.401 19.000 0.133 0.000 0.962 1659 A HN 0.051 nan 8.150 nan 0.000 0.504 1660 T N 0.364 115.031 114.554 0.188 0.000 2.882 1660 T HA 0.282 4.630 4.350 -0.003 0.000 0.287 1660 T C 0.123 174.966 174.700 0.239 0.000 0.992 1660 T CA -0.279 61.988 62.100 0.278 0.000 1.076 1660 T CB 1.378 70.499 68.868 0.422 0.000 0.961 1660 T HN 0.235 nan 8.240 nan 0.000 0.490 1661 D N 0.822 121.362 120.400 0.233 0.000 2.394 1661 D HA 0.113 4.751 4.640 -0.003 0.000 0.226 1661 D C 0.103 176.635 176.300 0.387 0.000 0.990 1661 D CA 0.260 54.458 54.000 0.329 0.000 0.902 1661 D CB 0.554 41.474 40.800 0.201 0.000 1.038 1661 D HN 0.190 nan 8.370 nan 0.000 0.499 1662 L N 1.438 122.763 121.223 0.170 0.000 2.376 1662 L HA 0.339 4.677 4.340 -0.003 0.000 0.275 1662 L C -0.982 175.781 176.870 -0.178 0.000 0.987 1662 L CA -0.195 54.677 54.840 0.055 0.000 0.828 1662 L CB 1.826 43.906 42.059 0.034 0.000 1.249 1662 L HN -0.223 nan 8.230 nan 0.000 0.409 1663 S N 4.795 120.320 115.700 -0.291 0.000 2.438 1663 S HA 0.382 4.850 4.470 -0.003 0.000 0.293 1663 S C -0.292 174.078 174.600 -0.383 0.000 1.141 1663 S CA -0.559 57.250 58.200 -0.651 0.000 1.080 1663 S CB 0.572 63.310 63.200 -0.770 0.000 0.978 1663 S HN 0.625 nan 8.310 nan 0.000 0.479 1664 E N 4.035 124.006 120.200 -0.383 0.000 2.152 1664 E HA 0.212 4.560 4.350 -0.003 0.000 0.285 1664 E C -0.528 175.963 176.600 -0.181 0.000 1.043 1664 E CA -0.379 55.905 56.400 -0.194 0.000 0.839 1664 E CB 0.972 30.577 29.700 -0.159 0.000 1.069 1664 E HN 0.602 nan 8.360 nan 0.000 0.399 1665 Q N 2.764 122.507 119.800 -0.095 0.000 3.244 1665 Q HA 0.257 4.595 4.340 -0.003 0.000 0.249 1665 Q C 0.482 176.449 176.000 -0.056 0.000 0.951 1665 Q CA -0.112 55.636 55.803 -0.092 0.000 0.740 1665 Q CB 0.306 28.990 28.738 -0.089 0.000 1.334 1665 Q HN 0.625 nan 8.270 nan 0.000 0.448 1666 I N -1.475 119.054 120.570 -0.069 0.000 3.637 1666 I HA 0.292 4.460 4.170 -0.003 0.000 0.342 1666 I C 0.423 176.477 176.117 -0.106 0.000 1.545 1666 I CA -0.640 60.632 61.300 -0.046 0.000 1.126 1666 I CB 0.361 38.336 38.000 -0.042 0.000 1.375 1666 I HN 0.027 nan 8.210 nan 0.000 0.467 1667 S N 0.401 116.037 115.700 -0.108 0.000 2.579 1667 S HA 0.208 4.676 4.470 -0.003 0.000 0.275 1667 S C 0.551 175.125 174.600 -0.044 0.000 1.345 1667 S CA -0.286 57.872 58.200 -0.070 0.000 1.031 1667 S CB 0.479 63.693 63.200 0.024 0.000 0.892 1667 S HN 0.404 nan 8.310 nan 0.000 0.529 1668 T N 2.787 117.351 114.554 0.016 0.000 2.902 1668 T HA 0.382 4.730 4.350 -0.003 0.000 0.301 1668 T C 0.749 175.457 174.700 0.014 0.000 1.012 1668 T CA 0.263 62.384 62.100 0.035 0.000 1.151 1668 T CB -0.033 68.935 68.868 0.167 0.000 0.946 1668 T HN 1.032 nan 8.240 nan 0.000 0.542 1669 A N 2.833 125.629 122.820 -0.040 0.000 2.580 1669 A HA 0.429 4.747 4.320 -0.003 0.000 0.244 1669 A C 1.655 179.233 177.584 -0.011 0.000 1.045 1669 A CA 0.343 52.352 52.037 -0.046 0.000 0.761 1669 A CB -0.958 18.003 19.000 -0.064 0.000 0.962 1669 A HN 1.726 nan 8.150 nan 0.000 0.512 1670 G N 1.490 110.285 108.800 -0.009 0.000 2.176 1670 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.232 1670 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.232 1670 G C 0.880 175.774 174.900 -0.009 0.000 0.986 1670 G CA 1.078 46.179 45.100 0.000 0.000 0.643 1670 G HN 1.979 nan 8.290 nan 0.000 0.522 1671 T N -2.477 112.066 114.554 -0.017 0.000 3.034 1671 T HA 0.401 4.749 4.350 -0.003 0.000 0.248 1671 T C 0.774 175.322 174.700 -0.253 0.000 1.040 1671 T CA 1.083 63.103 62.100 -0.134 0.000 1.107 1671 T CB 0.554 69.390 68.868 -0.054 0.000 0.932 1671 T HN 0.258 nan 8.240 nan 0.000 0.474 1672 E N 1.517 121.698 120.200 -0.032 0.000 1.963 1672 E HA 0.672 5.020 4.350 -0.003 0.000 0.274 1672 E C 1.205 177.754 176.600 -0.085 0.000 1.061 1672 E CA 0.004 56.421 56.400 0.028 0.000 0.847 1672 E CB 0.608 30.371 29.700 0.105 0.000 1.083 1672 E HN 0.338 nan 8.360 nan 0.000 0.402 1673 A N 3.298 125.988 122.820 -0.217 0.000 1.915 1673 A HA -0.272 4.046 4.320 -0.003 0.000 0.220 1673 A C 1.994 179.437 177.584 -0.234 0.000 1.198 1673 A CA 2.464 54.218 52.037 -0.472 0.000 0.647 1673 A CB -0.265 18.212 19.000 -0.873 0.000 0.825 1673 A HN 0.600 nan 8.150 nan 0.000 0.456 1674 S N -4.302 111.325 115.700 -0.122 0.000 3.916 1674 S HA 0.443 4.911 4.470 -0.003 0.000 0.231 1674 S C 0.680 175.258 174.600 -0.037 0.000 1.161 1674 S CA 1.349 59.524 58.200 -0.043 0.000 0.938 1674 S CB -0.175 63.022 63.200 -0.005 0.000 1.170 1674 S HN 2.341 nan 8.310 nan 0.000 0.508 1675 G N 0.379 109.161 108.800 -0.029 0.000 2.716 1675 G HA2 -0.041 3.917 3.960 -0.003 0.000 0.686 1675 G HA3 -0.041 3.917 3.960 -0.003 0.000 0.686 1675 G C 0.245 175.104 174.900 -0.069 0.000 1.337 1675 G CA 0.440 45.515 45.100 -0.041 0.000 0.829 1675 G HN 1.364 nan 8.290 nan 0.000 0.599 1676 T N -2.142 112.353 114.554 -0.098 0.000 3.051 1676 T HA 0.375 4.723 4.350 -0.003 0.000 0.254 1676 T C 2.363 176.928 174.700 -0.225 0.000 0.916 1676 T CA 1.273 63.281 62.100 -0.154 0.000 0.894 1676 T CB 0.211 68.980 68.868 -0.164 0.000 1.251 1676 T HN 1.920 nan 8.240 nan 0.000 0.517 1677 G N 3.384 112.080 108.800 -0.173 0.000 2.442 1677 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.219 1677 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.219 1677 G C 1.574 176.473 174.900 -0.001 0.000 1.141 1677 G CA 1.344 46.354 45.100 -0.151 0.000 0.763 1677 G HN 0.687 nan 8.290 nan 0.000 0.554 1678 N N 1.188 119.884 118.700 -0.007 0.000 2.094 1678 N HA -0.179 4.559 4.740 -0.003 0.000 0.191 1678 N C 2.040 177.500 175.510 -0.084 0.000 1.023 1678 N CA 1.944 54.988 53.050 -0.010 0.000 0.857 1678 N CB -0.746 37.675 38.487 -0.110 0.000 1.013 1678 N HN 0.424 nan 8.380 nan 0.000 0.426 1679 M N 0.201 119.683 119.600 -0.197 0.000 2.175 1679 M HA 0.006 4.484 4.480 -0.003 0.000 0.264 1679 M C 1.961 178.176 176.300 -0.142 0.000 1.063 1679 M CA 1.395 56.556 55.300 -0.232 0.000 1.119 1679 M CB -0.237 32.235 32.600 -0.214 0.000 1.377 1679 M HN 0.136 nan 8.290 nan 0.000 0.415 1680 K N 0.129 120.387 120.400 -0.236 0.000 2.057 1680 K HA -0.088 4.230 4.320 -0.003 0.000 0.206 1680 K C 1.747 178.227 176.600 -0.201 0.000 1.050 1680 K CA 1.324 57.431 56.287 -0.299 0.000 0.935 1680 K CB -0.291 31.824 32.500 -0.642 0.000 0.715 1680 K HN 0.138 nan 8.250 nan 0.000 0.439 1681 F N 1.358 121.236 119.950 -0.120 0.000 2.134 1681 F HA -0.133 4.392 4.527 -0.003 0.000 0.299 1681 F C 2.579 178.352 175.800 -0.046 0.000 1.097 1681 F CA 1.239 59.197 58.000 -0.071 0.000 1.264 1681 F CB -0.362 38.591 39.000 -0.079 0.000 1.001 1681 F HN 0.003 nan 8.300 nan 0.000 0.479 1682 M N -0.409 119.261 119.600 0.117 0.000 2.117 1682 M HA -0.202 4.276 4.480 -0.003 0.000 0.262 1682 M C 2.178 178.512 176.300 0.056 0.000 1.065 1682 M CA 1.634 56.968 55.300 0.056 0.000 1.114 1682 M CB -0.305 32.290 32.600 -0.008 0.000 1.361 1682 M HN 0.272 nan 8.290 nan 0.000 0.408 1683 L N 0.274 121.524 121.223 0.045 0.000 2.201 1683 L HA -0.151 4.187 4.340 -0.003 0.000 0.212 1683 L C 1.041 177.934 176.870 0.039 0.000 1.105 1683 L CA 1.124 55.995 54.840 0.052 0.000 0.775 1683 L CB -0.428 41.670 42.059 0.065 0.000 0.913 1683 L HN 0.435 nan 8.230 nan 0.000 0.440 1684 N N 0.042 118.764 118.700 0.038 0.000 2.276 1684 N HA 0.066 4.804 4.740 -0.003 0.000 0.212 1684 N C 0.917 176.459 175.510 0.054 0.000 1.127 1684 N CA 0.845 53.916 53.050 0.034 0.000 0.834 1684 N CB 0.792 39.283 38.487 0.007 0.000 1.014 1684 N HN 0.432 nan 8.380 nan 0.000 0.491 1685 G N 0.278 109.116 108.800 0.063 0.000 2.130 1685 G HA2 -0.193 3.765 3.960 -0.003 0.000 0.216 1685 G HA3 -0.193 3.765 3.960 -0.003 0.000 0.216 1685 G C -0.007 174.970 174.900 0.130 0.000 0.999 1685 G CA 0.112 45.257 45.100 0.074 0.000 0.686 1685 G HN 0.535 nan 8.290 nan 0.000 0.515 1686 A N -0.341 122.568 122.820 0.148 0.000 2.337 1686 A HA 0.896 5.214 4.320 -0.003 0.000 0.331 1686 A C 0.170 177.803 177.584 0.081 0.000 1.137 1686 A CA -0.661 51.485 52.037 0.183 0.000 0.807 1686 A CB 1.149 20.303 19.000 0.257 0.000 1.250 1686 A HN 0.703 nan 8.150 nan 0.000 0.468 1687 L N 0.994 122.241 121.223 0.039 0.000 2.343 1687 L HA 0.443 4.781 4.340 -0.003 0.000 0.275 1687 L C 0.106 176.978 176.870 0.004 0.000 1.056 1687 L CA -0.400 54.401 54.840 -0.064 0.000 0.804 1687 L CB 1.794 43.670 42.059 -0.306 0.000 1.203 1687 L HN 0.717 nan 8.230 nan 0.000 0.440 1688 T N 3.474 118.047 114.554 0.032 0.000 2.829 1688 T HA 0.480 4.828 4.350 -0.003 0.000 0.282 1688 T C -0.374 174.409 174.700 0.137 0.000 0.990 1688 T CA -0.239 61.877 62.100 0.026 0.000 1.028 1688 T CB 1.600 70.463 68.868 -0.009 0.000 0.951 1688 T HN 0.369 nan 8.240 nan 0.000 0.460 1689 I N 2.563 123.192 120.570 0.098 0.000 2.389 1689 I HA 0.717 4.885 4.170 -0.003 0.000 0.288 1689 I C -0.014 176.259 176.117 0.259 0.000 0.999 1689 I CA 0.044 61.473 61.300 0.215 0.000 1.129 1689 I CB 0.497 38.549 38.000 0.087 0.000 1.288 1689 I HN 0.810 nan 8.210 nan 0.000 0.444 1690 G N 3.883 112.876 108.800 0.322 0.000 2.495 1690 G HA2 0.411 4.369 3.960 -0.003 0.000 0.294 1690 G HA3 0.411 4.369 3.960 -0.003 0.000 0.294 1690 G C -0.941 173.759 174.900 -0.334 0.000 1.397 1690 G CA -0.262 44.902 45.100 0.107 0.000 0.790 1690 G HN 0.589 nan 8.290 nan 0.000 0.486 1691 T N -2.264 111.984 114.554 -0.510 0.000 2.881 1691 T HA 0.548 4.896 4.350 -0.003 0.000 0.278 1691 T C 0.488 175.026 174.700 -0.271 0.000 0.982 1691 T CA -0.509 61.248 62.100 -0.573 0.000 0.989 1691 T CB 1.437 70.001 68.868 -0.506 0.000 1.058 1691 T HN 0.374 nan 8.240 nan 0.000 0.529 1692 M N 2.863 122.335 119.600 -0.213 0.000 3.237 1692 M HA 0.383 4.861 4.480 -0.003 0.000 0.266 1692 M C -0.854 175.390 176.300 -0.093 0.000 1.456 1692 M CA -0.302 54.926 55.300 -0.119 0.000 1.593 1692 M CB -1.724 30.823 32.600 -0.089 0.000 1.129 1692 M HN 0.741 nan 8.290 nan 0.000 0.547 1693 D N 1.236 121.585 120.400 -0.086 0.000 2.661 1693 D HA 0.720 5.358 4.640 -0.003 0.000 0.228 1693 D C 0.514 176.791 176.300 -0.039 0.000 1.183 1693 D CA 0.801 54.768 54.000 -0.056 0.000 0.844 1693 D CB 1.437 42.200 40.800 -0.062 0.000 1.555 1693 D HN 0.573 nan 8.370 nan 0.000 0.453 1694 G N 1.510 110.300 108.800 -0.016 0.000 2.614 1694 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.303 1694 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.303 1694 G C 1.015 175.914 174.900 -0.002 0.000 1.270 1694 G CA 1.034 46.128 45.100 -0.010 0.000 0.988 1694 G HN 1.133 nan 8.290 nan 0.000 0.551 1695 A N -0.273 122.536 122.820 -0.019 0.000 2.206 1695 A HA 0.123 4.441 4.320 -0.003 0.000 0.211 1695 A C 2.089 179.627 177.584 -0.077 0.000 1.158 1695 A CA 1.781 53.808 52.037 -0.017 0.000 0.761 1695 A CB -0.438 18.528 19.000 -0.058 0.000 0.801 1695 A HN 0.607 nan 8.150 nan 0.000 0.473 1696 N N 0.496 119.145 118.700 -0.085 0.000 2.149 1696 N HA -0.149 4.589 4.740 -0.003 0.000 0.188 1696 N C 1.595 177.077 175.510 -0.046 0.000 1.019 1696 N CA 1.612 54.607 53.050 -0.092 0.000 0.857 1696 N CB -0.561 37.874 38.487 -0.087 0.000 0.997 1696 N HN 0.289 nan 8.380 nan 0.000 0.426 1697 V N 1.260 121.163 119.914 -0.019 0.000 2.343 1697 V HA -0.200 3.918 4.120 -0.003 0.000 0.247 1697 V C 1.878 178.003 176.094 0.052 0.000 1.051 1697 V CA 1.637 63.941 62.300 0.006 0.000 1.036 1697 V CB -0.486 31.341 31.823 0.008 0.000 0.654 1697 V HN 0.357 nan 8.190 nan 0.000 0.451 1698 E N -0.663 119.601 120.200 0.106 0.000 2.285 1698 E HA -0.096 4.252 4.350 -0.003 0.000 0.194 1698 E C 2.162 178.973 176.600 0.351 0.000 0.997 1698 E CA 0.829 57.358 56.400 0.215 0.000 0.845 1698 E CB -0.149 29.730 29.700 0.298 0.000 0.782 1698 E HN 0.551 nan 8.360 nan 0.000 0.491 1699 M N 0.329 120.055 119.600 0.211 0.000 2.132 1699 M HA -0.097 4.381 4.480 -0.003 0.000 0.263 1699 M C 2.431 178.803 176.300 0.120 0.000 1.065 1699 M CA 1.321 56.713 55.300 0.153 0.000 1.122 1699 M CB -0.067 32.442 32.600 -0.152 0.000 1.365 1699 M HN 0.146 nan 8.290 nan 0.000 0.411 1700 A N 0.381 123.234 122.820 0.054 0.000 1.902 1700 A HA -0.176 4.142 4.320 -0.003 0.000 0.217 1700 A C 1.907 179.514 177.584 0.038 0.000 1.181 1700 A CA 1.692 53.742 52.037 0.022 0.000 0.623 1700 A CB -0.681 18.315 19.000 -0.005 0.000 0.818 1700 A HN 0.523 nan 8.150 nan 0.000 0.443 1701 E N -0.292 119.943 120.200 0.059 0.000 2.058 1701 E HA -0.204 4.144 4.350 -0.003 0.000 0.194 1701 E C 2.016 178.646 176.600 0.051 0.000 0.997 1701 E CA 1.287 57.715 56.400 0.046 0.000 0.801 1701 E CB -0.182 29.548 29.700 0.050 0.000 0.746 1701 E HN 0.553 nan 8.360 nan 0.000 0.450 1702 E N 0.377 120.633 120.200 0.095 0.000 2.047 1702 E HA -0.122 4.226 4.350 -0.003 0.000 0.191 1702 E C 1.818 178.468 176.600 0.084 0.000 0.987 1702 E CA 1.200 57.650 56.400 0.083 0.000 0.799 1702 E CB -0.148 29.624 29.700 0.121 0.000 0.752 1702 E HN 0.230 nan 8.360 nan 0.000 0.449 1703 A N 0.197 123.073 122.820 0.094 0.000 2.308 1703 A HA 0.422 4.740 4.320 -0.003 0.000 0.217 1703 A C 0.865 178.461 177.584 0.021 0.000 1.216 1703 A CA 0.800 52.880 52.037 0.071 0.000 0.864 1703 A CB 0.133 19.175 19.000 0.069 0.000 0.902 1703 A HN 0.223 nan 8.150 nan 0.000 0.499 1704 G N -0.339 108.465 108.800 0.007 0.000 3.190 1704 G HA2 -0.140 3.818 3.960 -0.003 0.000 0.686 1704 G HA3 -0.140 3.818 3.960 -0.003 0.000 0.686 1704 G C 0.128 175.002 174.900 -0.043 0.000 1.033 1704 G CA 0.130 45.216 45.100 -0.023 0.000 0.797 1704 G HN 0.326 nan 8.290 nan 0.000 0.567 1705 E N 0.612 120.785 120.200 -0.045 0.000 2.160 1705 E HA -0.216 4.132 4.350 -0.003 0.000 0.195 1705 E C 2.353 178.888 176.600 -0.108 0.000 0.991 1705 E CA 1.607 57.970 56.400 -0.062 0.000 0.810 1705 E CB 0.077 29.749 29.700 -0.047 0.000 0.742 1705 E HN 0.719 nan 8.360 nan 0.000 0.466 1706 E N 0.110 120.242 120.200 -0.114 0.000 2.478 1706 E HA -0.156 4.192 4.350 -0.003 0.000 0.198 1706 E C 0.669 177.122 176.600 -0.245 0.000 1.046 1706 E CA 0.582 56.882 56.400 -0.167 0.000 0.870 1706 E CB -0.104 29.522 29.700 -0.123 0.000 0.818 1706 E HN 0.228 nan 8.360 nan 0.000 0.527 1707 N N 0.461 119.044 118.700 -0.196 0.000 2.268 1707 N HA 0.167 4.905 4.740 -0.003 0.000 0.204 1707 N C -0.530 174.830 175.510 -0.250 0.000 1.124 1707 N CA 0.130 53.050 53.050 -0.216 0.000 0.838 1707 N CB 0.562 38.981 38.487 -0.114 0.000 0.994 1707 N HN 0.122 nan 8.380 nan 0.000 0.489 1708 L N -0.287 120.767 121.223 -0.280 0.000 2.409 1708 L HA 0.423 4.761 4.340 -0.003 0.000 0.262 1708 L C -0.791 175.908 176.870 -0.285 0.000 0.992 1708 L CA -0.518 54.204 54.840 -0.197 0.000 0.817 1708 L CB 1.831 43.844 42.059 -0.077 0.000 1.350 1708 L HN -0.144 nan 8.230 nan 0.000 0.411 1709 F N 3.904 123.841 119.950 -0.021 0.000 2.499 1709 F HA 0.348 4.874 4.527 -0.002 0.000 0.353 1709 F C 0.211 176.082 175.800 0.118 0.000 1.196 1709 F CA -0.375 57.645 58.000 0.033 0.000 1.244 1709 F CB -0.084 38.928 39.000 0.020 0.000 1.577 1709 F HN 0.082 nan 8.300 nan 0.000 0.614 1710 I N 3.517 124.180 120.570 0.156 0.000 2.581 1710 I HA 0.301 4.469 4.170 -0.003 0.000 0.288 1710 I C 0.036 176.278 176.117 0.208 0.000 1.047 1710 I CA -0.458 60.903 61.300 0.102 0.000 1.374 1710 I CB 0.492 38.487 38.000 -0.008 0.000 1.423 1710 I HN 0.373 nan 8.210 nan 0.000 0.549 1711 F N 1.926 121.907 119.950 0.051 0.000 2.779 1711 F HA 0.797 5.322 4.527 -0.004 0.000 0.316 1711 F C 0.045 175.870 175.800 0.043 0.000 1.164 1711 F CA -0.380 57.655 58.000 0.059 0.000 0.924 1711 F CB 0.853 39.910 39.000 0.095 0.000 1.348 1711 F HN 0.814 nan 8.300 nan 0.000 0.467 1712 G N 0.935 109.866 108.800 0.219 0.000 2.796 1712 G HA2 -0.131 3.827 3.960 -0.003 0.000 0.226 1712 G HA3 -0.131 3.827 3.960 -0.003 0.000 0.226 1712 G C -0.699 174.190 174.900 -0.019 0.000 1.381 1712 G CA -0.441 44.718 45.100 0.099 0.000 0.867 1712 G HN 0.965 nan 8.290 nan 0.000 0.552 1713 M N 0.509 120.105 119.600 -0.006 0.000 2.252 1713 M HA 0.276 4.754 4.480 -0.003 0.000 0.333 1713 M C 1.325 177.590 176.300 -0.059 0.000 1.111 1713 M CA 0.588 55.880 55.300 -0.013 0.000 1.140 1713 M CB 0.353 32.951 32.600 -0.004 0.000 1.538 1713 M HN 0.563 nan 8.290 nan 0.000 0.448 1714 R N 1.150 121.628 120.500 -0.037 0.000 2.810 1714 R HA 0.427 4.765 4.340 -0.003 0.000 0.245 1714 R C 1.195 177.477 176.300 -0.031 0.000 1.168 1714 R CA -0.811 55.261 56.100 -0.046 0.000 1.096 1714 R CB 0.885 31.165 30.300 -0.034 0.000 1.259 1714 R HN 0.752 nan 8.270 nan 0.000 0.518 1715 I N 1.200 121.753 120.570 -0.028 0.000 2.248 1715 I HA -0.340 3.828 4.170 -0.003 0.000 0.248 1715 I C 0.910 177.019 176.117 -0.014 0.000 1.107 1715 I CA 1.814 63.102 61.300 -0.020 0.000 1.373 1715 I CB 0.030 38.019 38.000 -0.018 0.000 1.055 1715 I HN 0.516 nan 8.210 nan 0.000 0.418 1716 D N 0.753 121.148 120.400 -0.009 0.000 2.144 1716 D HA -0.164 4.474 4.640 -0.003 0.000 0.200 1716 D C 1.775 178.077 176.300 0.005 0.000 0.978 1716 D CA 1.137 55.136 54.000 -0.003 0.000 0.833 1716 D CB -0.366 40.434 40.800 -0.000 0.000 0.961 1716 D HN 0.455 nan 8.370 nan 0.000 0.470 1717 D N 0.409 120.813 120.400 0.007 0.000 2.117 1717 D HA -0.089 4.549 4.640 -0.003 0.000 0.198 1717 D C 2.286 178.596 176.300 0.017 0.000 0.982 1717 D CA 0.479 54.491 54.000 0.020 0.000 0.828 1717 D CB -0.167 40.648 40.800 0.024 0.000 0.967 1717 D HN 0.075 nan 8.370 nan 0.000 0.464 1718 V N 1.725 121.637 119.914 -0.003 0.000 2.469 1718 V HA -0.236 3.882 4.120 -0.003 0.000 0.251 1718 V C 2.542 178.630 176.094 -0.011 0.000 1.064 1718 V CA 1.717 64.005 62.300 -0.020 0.000 1.066 1718 V CB -0.713 31.091 31.823 -0.032 0.000 0.667 1718 V HN 0.174 nan 8.190 nan 0.000 0.461 1719 A N 0.003 122.821 122.820 -0.003 0.000 1.873 1719 A HA -0.036 4.282 4.320 -0.003 0.000 0.215 1719 A C 2.462 180.055 177.584 0.015 0.000 1.186 1719 A CA 1.829 53.866 52.037 0.001 0.000 0.616 1719 A CB -0.814 18.185 19.000 -0.002 0.000 0.823 1719 A HN 0.542 nan 8.150 nan 0.000 0.442 1720 A N -0.458 122.376 122.820 0.024 0.000 1.883 1720 A HA -0.100 4.218 4.320 -0.003 0.000 0.217 1720 A C 2.130 179.747 177.584 0.055 0.000 1.186 1720 A CA 1.872 53.931 52.037 0.037 0.000 0.624 1720 A CB -0.688 18.336 19.000 0.041 0.000 0.822 1720 A HN 0.618 nan 8.150 nan 0.000 0.444 1721 L N 0.190 121.451 121.223 0.064 0.000 2.046 1721 L HA -0.171 4.167 4.340 -0.003 0.000 0.208 1721 L C 1.661 178.588 176.870 0.094 0.000 1.077 1721 L CA 2.424 57.325 54.840 0.102 0.000 0.747 1721 L CB -0.806 41.312 42.059 0.098 0.000 0.896 1721 L HN 0.362 nan 8.230 nan 0.000 0.432 1722 D N -0.575 119.853 120.400 0.047 0.000 2.144 1722 D HA -0.216 4.422 4.640 -0.003 0.000 0.199 1722 D C 2.113 178.442 176.300 0.049 0.000 0.984 1722 D CA 1.182 55.207 54.000 0.041 0.000 0.834 1722 D CB 0.067 40.871 40.800 0.006 0.000 0.955 1722 D HN 0.401 nan 8.370 nan 0.000 0.465 1723 K N 1.133 121.558 120.400 0.042 0.000 1.984 1723 K HA -0.147 4.171 4.320 -0.003 0.000 0.209 1723 K C 2.052 178.682 176.600 0.051 0.000 1.046 1723 K CA 1.136 57.446 56.287 0.039 0.000 0.934 1723 K CB 0.021 32.540 32.500 0.031 0.000 0.717 1723 K HN -0.118 nan 8.250 nan 0.000 0.438 1724 K N -0.128 120.309 120.400 0.061 0.000 2.152 1724 K HA -0.102 4.216 4.320 -0.003 0.000 0.206 1724 K C -0.152 176.495 176.600 0.079 0.000 1.048 1724 K CA 1.276 57.603 56.287 0.067 0.000 0.933 1724 K CB -0.190 32.356 32.500 0.076 0.000 0.721 1724 K HN 0.445 nan 8.250 nan 0.000 0.447 1725 G N 0.168 109.029 108.800 0.102 0.000 3.225 1725 G HA2 -0.233 3.725 3.960 -0.003 0.000 0.686 1725 G HA3 -0.233 3.725 3.960 -0.003 0.000 0.686 1725 G C -1.509 173.503 174.900 0.188 0.000 1.105 1725 G CA -0.340 44.832 45.100 0.121 0.000 0.831 1725 G HN 0.262 nan 8.290 nan 0.000 0.578 1726 Y N 2.329 122.665 120.300 0.060 0.000 2.404 1726 Y HA 0.590 5.138 4.550 -0.003 0.000 0.344 1726 Y C 0.504 176.459 175.900 0.092 0.000 0.995 1726 Y CA -0.664 57.487 58.100 0.086 0.000 1.201 1726 Y CB 1.251 39.737 38.460 0.043 0.000 1.151 1726 Y HN 0.586 nan 8.280 nan 0.000 0.517 1727 E N 5.400 125.460 120.200 -0.234 0.000 2.376 1727 E HA 0.438 4.786 4.350 -0.003 0.000 0.236 1727 E C 0.361 176.753 176.600 -0.346 0.000 0.962 1727 E CA -0.080 56.178 56.400 -0.237 0.000 0.768 1727 E CB 0.702 30.368 29.700 -0.057 0.000 1.236 1727 E HN 0.956 nan 8.360 nan 0.000 0.431 1728 A N 5.185 127.603 122.820 -0.671 0.000 1.917 1728 A HA -0.295 4.022 4.320 -0.003 0.000 0.219 1728 A C 1.960 179.628 177.584 0.139 0.000 1.182 1728 A CA 2.053 53.855 52.037 -0.391 0.000 0.633 1728 A CB -0.427 18.218 19.000 -0.590 0.000 0.819 1728 A HN 0.723 nan 8.150 nan 0.000 0.448 1729 K N -0.233 120.245 120.400 0.131 0.000 2.127 1729 K HA -0.284 4.034 4.320 -0.003 0.000 0.208 1729 K C 1.726 178.485 176.600 0.265 0.000 1.047 1729 K CA 1.841 58.339 56.287 0.352 0.000 0.927 1729 K CB -0.428 32.242 32.500 0.283 0.000 0.716 1729 K HN 0.500 nan 8.250 nan 0.000 0.450 1730 E N 0.615 120.873 120.200 0.097 0.000 2.068 1730 E HA -0.251 4.097 4.350 -0.003 0.000 0.207 1730 E C 1.873 178.410 176.600 -0.105 0.000 1.032 1730 E CA 2.348 58.706 56.400 -0.070 0.000 0.839 1730 E CB -0.290 29.255 29.700 -0.259 0.000 0.758 1730 E HN 0.523 nan 8.360 nan 0.000 0.457 1731 Y N -1.250 119.096 120.300 0.075 0.000 2.181 1731 Y HA -0.228 4.319 4.550 -0.004 0.000 0.288 1731 Y C 2.220 178.082 175.900 -0.063 0.000 1.146 1731 Y CA 1.513 59.636 58.100 0.038 0.000 1.164 1731 Y CB -0.917 37.604 38.460 0.103 0.000 0.982 1731 Y HN 0.264 nan 8.280 nan 0.000 0.515 1732 Y N 1.540 121.810 120.300 -0.051 0.000 2.081 1732 Y HA -0.331 4.217 4.550 -0.003 0.000 0.280 1732 Y C 2.297 178.164 175.900 -0.054 0.000 1.163 1732 Y CA 2.182 60.185 58.100 -0.162 0.000 1.135 1732 Y CB -0.453 38.041 38.460 0.056 0.000 0.970 1732 Y HN 0.158 nan 8.280 nan 0.000 0.498 1733 E N 0.078 120.225 120.200 -0.088 0.000 2.482 1733 E HA 0.066 4.414 4.350 -0.003 0.000 0.196 1733 E C 1.551 178.058 176.600 -0.156 0.000 1.047 1733 E CA 0.810 57.088 56.400 -0.203 0.000 0.869 1733 E CB -0.237 29.453 29.700 -0.016 0.000 0.836 1733 E HN 0.506 nan 8.360 nan 0.000 0.520 1734 A N -0.380 122.372 122.820 -0.113 0.000 2.288 1734 A HA 0.305 4.623 4.320 -0.003 0.000 0.216 1734 A C 0.310 177.858 177.584 -0.060 0.000 1.199 1734 A CA -0.143 51.847 52.037 -0.079 0.000 0.891 1734 A CB 0.349 19.308 19.000 -0.069 0.000 0.923 1734 A HN 0.167 nan 8.150 nan 0.000 0.500 1735 L N 1.059 122.233 121.223 -0.082 0.000 2.353 1735 L HA 0.318 4.656 4.340 -0.003 0.000 0.270 1735 L C -1.677 175.127 176.870 -0.110 0.000 1.003 1735 L CA -1.929 52.886 54.840 -0.041 0.000 0.862 1735 L CB 2.000 44.085 42.059 0.043 0.000 1.221 1735 L HN 0.047 nan 8.230 nan 0.000 0.430 1736 P HA -0.227 nan 4.420 nan 0.000 0.215 1736 P C 0.936 178.184 177.300 -0.087 0.000 1.157 1736 P CA 1.504 64.539 63.100 -0.108 0.000 0.874 1736 P CB 0.519 32.175 31.700 -0.072 0.000 0.790 1737 E N -0.676 119.512 120.200 -0.020 0.000 2.118 1737 E HA -0.174 4.174 4.350 -0.003 0.000 0.195 1737 E C 2.118 178.700 176.600 -0.030 0.000 0.992 1737 E CA 0.755 57.169 56.400 0.023 0.000 0.804 1737 E CB -0.527 29.251 29.700 0.130 0.000 0.741 1737 E HN 0.139 nan 8.360 nan 0.000 0.458 1738 L N 1.573 122.693 121.223 -0.172 0.000 2.072 1738 L HA -0.131 4.207 4.340 -0.003 0.000 0.205 1738 L C 2.208 178.916 176.870 -0.269 0.000 1.079 1738 L CA 1.798 56.343 54.840 -0.492 0.000 0.752 1738 L CB -0.311 41.226 42.059 -0.869 0.000 0.906 1738 L HN -0.117 nan 8.230 nan 0.000 0.436 1739 K N -0.704 119.554 120.400 -0.235 0.000 2.009 1739 K HA -0.247 4.071 4.320 -0.003 0.000 0.210 1739 K C 2.160 178.751 176.600 -0.014 0.000 1.049 1739 K CA 2.077 58.252 56.287 -0.187 0.000 0.929 1739 K CB -0.444 31.807 32.500 -0.415 0.000 0.714 1739 K HN 0.318 nan 8.250 nan 0.000 0.440 1740 L N 0.996 122.181 121.223 -0.064 0.000 2.042 1740 L HA -0.163 4.175 4.340 -0.003 0.000 0.210 1740 L C 2.024 178.887 176.870 -0.011 0.000 1.076 1740 L CA 1.493 56.304 54.840 -0.047 0.000 0.749 1740 L CB -0.503 41.508 42.059 -0.079 0.000 0.893 1740 L HN 0.062 nan 8.230 nan 0.000 0.432 1741 V N -0.170 119.745 119.914 0.002 0.000 2.255 1741 V HA -0.315 3.803 4.120 -0.003 0.000 0.247 1741 V C 2.541 178.706 176.094 0.117 0.000 1.051 1741 V CA 1.904 64.243 62.300 0.065 0.000 1.018 1741 V CB -0.628 31.215 31.823 0.033 0.000 0.641 1741 V HN 0.375 nan 8.190 nan 0.000 0.445 1742 I N 0.255 120.892 120.570 0.111 0.000 2.142 1742 I HA -0.207 3.961 4.170 -0.003 0.000 0.240 1742 I C 2.373 178.625 176.117 0.225 0.000 1.078 1742 I CA 1.688 63.111 61.300 0.205 0.000 1.343 1742 I CB -1.497 36.671 38.000 0.279 0.000 1.046 1742 I HN 0.376 nan 8.210 nan 0.000 0.405 1743 D N 0.622 121.153 120.400 0.219 0.000 2.133 1743 D HA -0.220 4.418 4.640 -0.003 0.000 0.195 1743 D C 2.219 178.597 176.300 0.130 0.000 0.997 1743 D CA 1.207 55.307 54.000 0.168 0.000 0.840 1743 D CB -0.248 40.631 40.800 0.132 0.000 0.947 1743 D HN 0.499 nan 8.370 nan 0.000 0.452 1744 Q N 0.085 119.939 119.800 0.089 0.000 2.096 1744 Q HA -0.111 4.227 4.340 -0.003 0.000 0.204 1744 Q C 2.543 178.681 176.000 0.231 0.000 0.982 1744 Q CA 0.856 56.694 55.803 0.058 0.000 0.850 1744 Q CB -0.046 28.608 28.738 -0.140 0.000 0.901 1744 Q HN 0.368 nan 8.270 nan 0.000 0.422 1745 I N 0.539 121.295 120.570 0.310 0.000 2.202 1745 I HA -0.252 3.916 4.170 -0.003 0.000 0.242 1745 I C 1.994 178.333 176.117 0.369 0.000 1.091 1745 I CA 1.331 62.854 61.300 0.372 0.000 1.368 1745 I CB -0.208 37.925 38.000 0.221 0.000 1.058 1745 I HN 0.192 nan 8.210 nan 0.000 0.410 1746 D N 0.817 121.381 120.400 0.273 0.000 2.178 1746 D HA -0.152 4.486 4.640 -0.003 0.000 0.202 1746 D C 1.715 178.124 176.300 0.182 0.000 0.974 1746 D CA 1.091 55.227 54.000 0.227 0.000 0.841 1746 D CB 0.038 40.938 40.800 0.167 0.000 0.953 1746 D HN 0.181 nan 8.370 nan 0.000 0.478 1747 N N -0.711 118.089 118.700 0.167 0.000 2.353 1747 N HA 0.125 4.863 4.740 -0.003 0.000 0.185 1747 N C 1.053 176.642 175.510 0.132 0.000 1.098 1747 N CA 0.927 54.053 53.050 0.127 0.000 0.872 1747 N CB 1.113 39.661 38.487 0.102 0.000 0.970 1747 N HN 0.298 nan 8.380 nan 0.000 0.467 1748 G N 0.901 109.813 108.800 0.187 0.000 2.131 1748 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.201 1748 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.201 1748 G C 0.474 175.443 174.900 0.116 0.000 1.000 1748 G CA 0.033 45.231 45.100 0.162 0.000 0.680 1748 G HN 0.354 nan 8.290 nan 0.000 0.514 1749 F N 0.353 120.265 119.950 -0.062 0.000 2.216 1749 F HA 0.247 4.772 4.527 -0.003 0.000 0.300 1749 F C 1.730 177.307 175.800 -0.373 0.000 1.085 1749 F CA 1.631 59.463 58.000 -0.279 0.000 1.326 1749 F CB -0.019 38.683 39.000 -0.497 0.000 1.027 1749 F HN 0.148 nan 8.300 nan 0.000 0.497 1750 F N -0.216 119.821 119.950 0.145 0.000 2.664 1750 F HA 0.228 4.753 4.527 -0.003 0.000 0.303 1750 F C 0.757 176.615 175.800 0.098 0.000 1.092 1750 F CA 0.178 58.208 58.000 0.049 0.000 1.305 1750 F CB -0.225 38.839 39.000 0.106 0.000 1.054 1750 F HN 0.022 nan 8.300 nan 0.000 0.565 1751 S N -1.143 114.681 115.700 0.207 0.000 2.606 1751 S HA 0.237 4.705 4.470 -0.003 0.000 0.156 1751 S C -2.146 172.469 174.600 0.025 0.000 1.308 1751 S CA -0.890 57.376 58.200 0.110 0.000 1.228 1751 S CB 0.641 63.888 63.200 0.078 0.000 1.568 1751 S HN -0.126 nan 8.310 nan 0.000 0.397 1752 P HA -0.173 nan 4.420 nan 0.000 0.214 1752 P C 0.868 178.157 177.300 -0.019 0.000 1.163 1752 P CA 1.503 64.580 63.100 -0.038 0.000 0.889 1752 P CB -0.010 31.642 31.700 -0.080 0.000 0.790 1753 K N -0.328 120.062 120.400 -0.018 0.000 2.574 1753 K HA -0.062 4.256 4.320 -0.003 0.000 0.193 1753 K C 1.055 177.651 176.600 -0.007 0.000 1.035 1753 K CA 0.546 56.827 56.287 -0.010 0.000 0.982 1753 K CB -0.395 32.103 32.500 -0.005 0.000 0.795 1753 K HN 0.403 nan 8.250 nan 0.000 0.491 1754 Q N -0.783 119.010 119.800 -0.012 0.000 4.170 1754 Q HA 0.128 4.466 4.340 -0.003 0.000 0.163 1754 Q C -2.432 173.549 176.000 -0.032 0.000 0.857 1754 Q CA -0.800 54.989 55.803 -0.022 0.000 0.779 1754 Q CB 1.169 29.889 28.738 -0.030 0.000 1.531 1754 Q HN -0.159 nan 8.270 nan 0.000 0.448 1755 P HA -0.198 nan 4.420 nan 0.000 0.217 1755 P C 0.348 177.668 177.300 0.033 0.000 1.148 1755 P CA 1.625 64.741 63.100 0.027 0.000 0.834 1755 P CB 0.202 31.920 31.700 0.030 0.000 0.783 1756 D N -1.820 118.581 120.400 0.002 0.000 2.463 1756 D HA 0.021 4.659 4.640 -0.003 0.000 0.224 1756 D C 1.475 177.747 176.300 -0.047 0.000 1.174 1756 D CA -0.330 53.678 54.000 0.013 0.000 0.829 1756 D CB -0.648 40.167 40.800 0.025 0.000 0.993 1756 D HN 0.021 nan 8.370 nan 0.000 0.497 1757 L N -0.038 121.068 121.223 -0.195 0.000 2.043 1757 L HA -0.082 4.256 4.340 -0.003 0.000 0.212 1757 L C 1.107 177.727 176.870 -0.416 0.000 1.075 1757 L CA 1.670 56.270 54.840 -0.399 0.000 0.752 1757 L CB -0.583 41.010 42.059 -0.777 0.000 0.891 1757 L HN -0.039 nan 8.230 nan 0.000 0.432 1758 F N -1.003 119.010 119.950 0.105 0.000 2.664 1758 F HA 0.182 4.708 4.527 -0.003 0.000 0.301 1758 F C 1.982 177.856 175.800 0.122 0.000 1.126 1758 F CA -0.110 57.951 58.000 0.102 0.000 1.373 1758 F CB -0.911 38.145 39.000 0.093 0.000 1.042 1758 F HN 0.029 nan 8.300 nan 0.000 0.535 1759 K N 0.711 121.234 120.400 0.206 0.000 2.152 1759 K HA -0.198 4.120 4.320 -0.003 0.000 0.206 1759 K C 1.360 178.089 176.600 0.215 0.000 1.048 1759 K CA 1.745 58.147 56.287 0.191 0.000 0.933 1759 K CB 0.002 32.580 32.500 0.129 0.000 0.721 1759 K HN 0.104 nan 8.250 nan 0.000 0.447 1760 D N 0.636 121.169 120.400 0.221 0.000 2.097 1760 D HA -0.147 4.491 4.640 -0.003 0.000 0.195 1760 D C 1.863 178.306 176.300 0.239 0.000 0.989 1760 D CA 1.182 55.325 54.000 0.238 0.000 0.827 1760 D CB -0.107 40.869 40.800 0.294 0.000 0.966 1760 D HN 0.283 nan 8.370 nan 0.000 0.456 1761 I N 0.885 121.598 120.570 0.238 0.000 2.179 1761 I HA -0.230 3.938 4.170 -0.003 0.000 0.242 1761 I C 2.270 178.510 176.117 0.205 0.000 1.088 1761 I CA 0.541 61.957 61.300 0.193 0.000 1.357 1761 I CB -0.164 37.939 38.000 0.171 0.000 1.051 1761 I HN -0.011 nan 8.210 nan 0.000 0.409 1762 I N 1.113 121.838 120.570 0.259 0.000 2.127 1762 I HA -0.318 3.850 4.170 -0.003 0.000 0.241 1762 I C 2.209 178.538 176.117 0.354 0.000 1.075 1762 I CA 1.939 63.432 61.300 0.322 0.000 1.334 1762 I CB -1.697 36.480 38.000 0.295 0.000 1.040 1762 I HN 0.300 nan 8.210 nan 0.000 0.405 1763 N N 0.382 119.279 118.700 0.329 0.000 2.094 1763 N HA -0.215 4.523 4.740 -0.003 0.000 0.191 1763 N C 1.826 177.602 175.510 0.443 0.000 1.023 1763 N CA 1.309 54.616 53.050 0.428 0.000 0.857 1763 N CB -0.317 38.384 38.487 0.358 0.000 1.013 1763 N HN 0.279 nan 8.380 nan 0.000 0.426 1764 M N -0.316 119.482 119.600 0.329 0.000 2.200 1764 M HA 0.010 4.488 4.480 -0.003 0.000 0.265 1764 M C 1.365 177.726 176.300 0.103 0.000 1.066 1764 M CA 1.194 56.668 55.300 0.289 0.000 1.127 1764 M CB -0.407 32.329 32.600 0.225 0.000 1.379 1764 M HN 0.126 nan 8.290 nan 0.000 0.420 1765 L N 0.043 121.263 121.223 -0.005 0.000 2.141 1765 L HA -0.065 4.273 4.340 -0.003 0.000 0.209 1765 L C 1.846 178.356 176.870 -0.601 0.000 1.094 1765 L CA 1.764 56.397 54.840 -0.345 0.000 0.763 1765 L CB -0.997 40.867 42.059 -0.325 0.000 0.908 1765 L HN 0.213 nan 8.230 nan 0.000 0.437 1766 F N -2.927 116.784 119.950 -0.398 0.000 2.446 1766 F HA -0.045 4.480 4.527 -0.003 0.000 0.292 1766 F C 1.399 176.640 175.800 -0.931 0.000 1.096 1766 F CA 0.795 58.362 58.000 -0.721 0.000 1.438 1766 F CB 0.037 38.420 39.000 -1.029 0.000 1.107 1766 F HN 0.018 nan 8.300 nan 0.000 0.546 1767 Y N -3.340 116.928 120.300 -0.053 0.000 2.432 1767 Y HA 0.214 4.762 4.550 -0.003 0.000 0.252 1767 Y C 0.272 175.767 175.900 -0.675 0.000 1.097 1767 Y CA -0.080 57.791 58.100 -0.382 0.000 1.250 1767 Y CB 0.025 38.165 38.460 -0.534 0.000 1.245 1767 Y HN 0.005 nan 8.280 nan 0.000 0.522 1768 H N -1.465 117.704 119.070 0.166 0.000 2.750 1768 H HA 0.167 4.721 4.556 -0.003 0.000 0.239 1768 H C -0.880 174.487 175.328 0.065 0.000 1.210 1768 H CA -0.583 55.537 56.048 0.121 0.000 0.936 1768 H CB 0.402 30.244 29.762 0.132 0.000 2.074 1768 H HN -0.054 nan 8.280 nan 0.000 0.622 1769 D N 1.971 122.432 120.400 0.102 0.000 2.453 1769 D HA 0.020 4.658 4.640 -0.003 0.000 0.223 1769 D C 1.076 177.337 176.300 -0.064 0.000 1.183 1769 D CA -0.469 53.557 54.000 0.044 0.000 0.933 1769 D CB 0.484 41.275 40.800 -0.016 0.000 1.038 1769 D HN 0.532 nan 8.370 nan 0.000 0.513 1770 R N 2.027 122.384 120.500 -0.238 0.000 2.328 1770 R HA 0.047 4.385 4.340 -0.003 0.000 0.200 1770 R C 0.139 176.011 176.300 -0.713 0.000 0.983 1770 R CA 0.365 56.183 56.100 -0.469 0.000 1.062 1770 R CB -0.232 29.745 30.300 -0.539 0.000 0.956 1770 R HN 0.204 nan 8.270 nan 0.000 0.479 1771 F N 0.941 120.847 119.950 -0.073 0.000 2.683 1771 F HA 0.333 4.858 4.527 -0.004 0.000 0.306 1771 F C -0.137 175.538 175.800 -0.208 0.000 1.102 1771 F CA -1.195 56.752 58.000 -0.089 0.000 1.244 1771 F CB 0.530 39.539 39.000 0.016 0.000 1.029 1771 F HN -0.188 nan 8.300 nan 0.000 0.545 1772 K N -0.222 119.976 120.400 -0.338 0.000 3.490 1772 K HA -0.170 4.148 4.320 -0.003 0.000 0.273 1772 K C 0.957 177.421 176.600 -0.227 0.000 0.916 1772 K CA 0.378 56.293 56.287 -0.620 0.000 0.718 1772 K CB -2.095 30.003 32.500 -0.671 0.000 1.477 1772 K HN 0.222 nan 8.250 nan 0.000 0.452 1773 V N -0.251 119.593 119.914 -0.117 0.000 2.295 1773 V HA -0.263 3.855 4.120 -0.003 0.000 0.246 1773 V C 1.936 178.123 176.094 0.155 0.000 1.049 1773 V CA 2.211 64.509 62.300 -0.004 0.000 1.024 1773 V CB -0.445 31.355 31.823 -0.039 0.000 0.648 1773 V HN 0.595 nan 8.190 nan 0.000 0.447 1774 F N 0.283 120.206 119.950 -0.045 0.000 2.216 1774 F HA -0.144 4.381 4.527 -0.004 0.000 0.300 1774 F C 2.517 178.104 175.800 -0.356 0.000 1.085 1774 F CA 0.551 58.470 58.000 -0.135 0.000 1.326 1774 F CB -0.377 38.520 39.000 -0.172 0.000 1.027 1774 F HN 0.186 nan 8.300 nan 0.000 0.497 1775 A N -0.403 122.231 122.820 -0.310 0.000 2.019 1775 A HA -0.200 4.118 4.320 -0.003 0.000 0.219 1775 A C 1.552 179.103 177.584 -0.056 0.000 1.164 1775 A CA 1.958 53.707 52.037 -0.480 0.000 0.644 1775 A CB -0.437 18.389 19.000 -0.289 0.000 0.805 1775 A HN 0.241 nan 8.150 nan 0.000 0.449 1776 D N -3.030 117.413 120.400 0.072 0.000 2.407 1776 D HA 0.082 4.720 4.640 -0.003 0.000 0.208 1776 D C 1.209 177.673 176.300 0.273 0.000 1.083 1776 D CA -0.035 54.089 54.000 0.206 0.000 0.844 1776 D CB -0.103 40.839 40.800 0.236 0.000 0.967 1776 D HN 0.534 nan 8.370 nan 0.000 0.506 1777 Y N 2.448 122.837 120.300 0.148 0.000 2.040 1777 Y HA -0.306 4.242 4.550 -0.003 0.000 0.275 1777 Y C 2.301 178.296 175.900 0.159 0.000 1.171 1777 Y CA 2.452 60.661 58.100 0.181 0.000 1.123 1777 Y CB -0.015 38.533 38.460 0.147 0.000 0.963 1777 Y HN -0.057 nan 8.280 nan 0.000 0.493 1778 E N 0.013 120.335 120.200 0.204 0.000 2.033 1778 E HA -0.284 4.064 4.350 -0.003 0.000 0.199 1778 E C 2.282 178.870 176.600 -0.020 0.000 1.011 1778 E CA 1.474 57.911 56.400 0.062 0.000 0.815 1778 E CB -0.511 29.317 29.700 0.213 0.000 0.755 1778 E HN 0.575 nan 8.360 nan 0.000 0.451 1779 A N 0.063 122.940 122.820 0.095 0.000 1.978 1779 A HA -0.209 4.109 4.320 -0.003 0.000 0.220 1779 A C 2.073 179.648 177.584 -0.014 0.000 1.170 1779 A CA 1.584 53.690 52.037 0.116 0.000 0.636 1779 A CB -0.898 18.257 19.000 0.258 0.000 0.810 1779 A HN 0.622 nan 8.150 nan 0.000 0.448 1780 Y N 0.666 120.772 120.300 -0.323 0.000 2.163 1780 Y HA -0.144 4.403 4.550 -0.004 0.000 0.288 1780 Y C 2.342 177.858 175.900 -0.640 0.000 1.136 1780 Y CA 1.723 59.306 58.100 -0.862 0.000 1.147 1780 Y CB -0.592 37.420 38.460 -0.746 0.000 0.987 1780 Y HN 0.055 nan 8.280 nan 0.000 0.509 1781 V N 1.151 120.686 119.914 -0.633 0.000 2.407 1781 V HA -0.285 3.833 4.120 -0.003 0.000 0.248 1781 V C 2.462 178.340 176.094 -0.360 0.000 1.055 1781 V CA 2.272 64.234 62.300 -0.563 0.000 1.049 1781 V CB -0.705 30.815 31.823 -0.505 0.000 0.662 1781 V HN 0.356 nan 8.190 nan 0.000 0.455 1782 K N -0.644 119.607 120.400 -0.249 0.000 2.097 1782 K HA -0.213 4.105 4.320 -0.003 0.000 0.205 1782 K C 2.301 178.824 176.600 -0.129 0.000 1.050 1782 K CA 1.799 58.009 56.287 -0.129 0.000 0.938 1782 K CB -0.425 32.047 32.500 -0.047 0.000 0.718 1782 K HN 0.526 nan 8.250 nan 0.000 0.442 1783 C N 1.326 120.514 119.300 -0.186 0.000 2.446 1783 C HA -0.040 4.418 4.460 -0.003 0.000 0.277 1783 C C 2.734 177.572 174.990 -0.253 0.000 1.275 1783 C CA 0.693 59.641 59.018 -0.116 0.000 1.727 1783 C CB -0.650 27.033 27.740 -0.094 0.000 2.010 1783 C HN 0.528 nan 8.230 nan 0.000 0.486 1784 Q N 0.641 120.146 119.800 -0.492 0.000 2.096 1784 Q HA -0.170 4.168 4.340 -0.003 0.000 0.204 1784 Q C 1.776 177.601 176.000 -0.291 0.000 0.982 1784 Q CA 1.883 57.360 55.803 -0.543 0.000 0.850 1784 Q CB -0.639 27.545 28.738 -0.923 0.000 0.901 1784 Q HN 0.704 nan 8.270 nan 0.000 0.422 1785 D N 0.556 120.848 120.400 -0.180 0.000 2.117 1785 D HA -0.130 4.508 4.640 -0.003 0.000 0.197 1785 D C 1.849 178.112 176.300 -0.062 0.000 0.987 1785 D CA 1.037 54.986 54.000 -0.086 0.000 0.829 1785 D CB -0.031 40.741 40.800 -0.046 0.000 0.961 1785 D HN 0.227 nan 8.370 nan 0.000 0.460 1786 K N 0.439 120.819 120.400 -0.035 0.000 2.063 1786 K HA -0.108 4.210 4.320 -0.003 0.000 0.208 1786 K C 2.226 178.845 176.600 0.032 0.000 1.048 1786 K CA 0.661 56.996 56.287 0.080 0.000 0.928 1786 K CB -0.175 32.458 32.500 0.222 0.000 0.713 1786 K HN -0.033 nan 8.250 nan 0.000 0.442 1787 V N 1.013 120.741 119.914 -0.310 0.000 2.252 1787 V HA -0.307 3.811 4.120 -0.003 0.000 0.249 1787 V C 2.160 178.228 176.094 -0.044 0.000 1.056 1787 V CA 2.078 64.059 62.300 -0.532 0.000 1.022 1787 V CB -0.520 30.908 31.823 -0.660 0.000 0.641 1787 V HN 0.294 nan 8.190 nan 0.000 0.445 1788 S N -1.045 114.590 115.700 -0.107 0.000 2.370 1788 S HA -0.256 4.212 4.470 -0.003 0.000 0.226 1788 S C 2.017 176.628 174.600 0.018 0.000 1.033 1788 S CA 1.339 59.483 58.200 -0.093 0.000 1.011 1788 S CB -0.351 62.742 63.200 -0.180 0.000 0.852 1788 S HN 0.555 nan 8.310 nan 0.000 0.457 1789 Q N 0.615 120.442 119.800 0.045 0.000 2.030 1789 Q HA -0.070 4.268 4.340 -0.003 0.000 0.204 1789 Q C 2.322 178.408 176.000 0.144 0.000 0.986 1789 Q CA 1.089 56.938 55.803 0.077 0.000 0.843 1789 Q CB -0.911 27.877 28.738 0.084 0.000 0.904 1789 Q HN 0.449 nan 8.270 nan 0.000 0.420 1790 L N -0.155 121.223 121.223 0.257 0.000 2.127 1790 L HA -0.191 4.147 4.340 -0.003 0.000 0.211 1790 L C 2.182 179.303 176.870 0.419 0.000 1.089 1790 L CA 1.570 56.637 54.840 0.379 0.000 0.757 1790 L CB -0.676 41.726 42.059 0.571 0.000 0.899 1790 L HN 0.179 nan 8.230 nan 0.000 0.434 1791 Y N -0.748 119.663 120.300 0.184 0.000 2.403 1791 Y HA -0.199 4.349 4.550 -0.003 0.000 0.291 1791 Y C 2.278 178.068 175.900 -0.184 0.000 1.143 1791 Y CA 1.537 59.490 58.100 -0.245 0.000 1.257 1791 Y CB -0.183 37.944 38.460 -0.556 0.000 0.984 1791 Y HN 0.211 nan 8.280 nan 0.000 0.550 1792 M N -0.522 119.055 119.600 -0.039 0.000 2.557 1792 M HA -0.105 4.373 4.480 -0.003 0.000 0.259 1792 M C 0.391 176.641 176.300 -0.083 0.000 1.086 1792 M CA 0.753 56.008 55.300 -0.075 0.000 1.096 1792 M CB -0.042 32.547 32.600 -0.019 0.000 1.424 1792 M HN 0.058 nan 8.290 nan 0.000 0.488 1793 N N 0.641 119.317 118.700 -0.039 0.000 2.936 1793 N HA 0.189 4.927 4.740 -0.003 0.000 0.243 1793 N C -2.270 173.231 175.510 -0.014 0.000 1.149 1793 N CA -1.950 51.094 53.050 -0.010 0.000 0.914 1793 N CB 0.958 39.474 38.487 0.049 0.000 1.179 1793 N HN -0.148 nan 8.380 nan 0.000 0.502 1794 P HA -0.218 nan 4.420 nan 0.000 0.216 1794 P C 1.226 178.532 177.300 0.011 0.000 1.154 1794 P CA 1.470 64.501 63.100 -0.115 0.000 0.865 1794 P CB 0.430 32.039 31.700 -0.153 0.000 0.789 1795 K N -0.556 119.855 120.400 0.018 0.000 2.062 1795 K HA -0.067 4.251 4.320 -0.003 0.000 0.205 1795 K C 1.975 178.619 176.600 0.074 0.000 1.051 1795 K CA 1.390 57.702 56.287 0.042 0.000 0.941 1795 K CB -0.544 31.973 32.500 0.029 0.000 0.719 1795 K HN -0.025 nan 8.250 nan 0.000 0.440 1796 A N 1.391 124.263 122.820 0.086 0.000 1.897 1796 A HA -0.159 4.159 4.320 -0.003 0.000 0.215 1796 A C 2.001 179.667 177.584 0.137 0.000 1.181 1796 A CA 1.003 53.096 52.037 0.094 0.000 0.620 1796 A CB -1.048 18.008 19.000 0.093 0.000 0.821 1796 A HN 0.722 nan 8.150 nan 0.000 0.443 1797 W N 1.490 122.787 121.300 -0.006 0.000 2.354 1797 W HA -0.159 4.499 4.660 -0.003 0.000 0.315 1797 W C 1.381 177.910 176.519 0.017 0.000 1.206 1797 W CA 1.920 59.276 57.345 0.018 0.000 1.290 1797 W CB -0.464 28.965 29.460 -0.052 0.000 1.152 1797 W HN 0.388 nan 8.180 nan 0.000 0.489 1798 N N -0.170 118.694 118.700 0.275 0.000 2.459 1798 N HA -0.105 4.633 4.740 -0.003 0.000 0.181 1798 N C 1.549 177.097 175.510 0.064 0.000 1.046 1798 N CA 1.741 54.883 53.050 0.155 0.000 0.904 1798 N CB -0.454 38.099 38.487 0.112 0.000 0.964 1798 N HN 0.105 nan 8.380 nan 0.000 0.444 1799 T N 1.053 115.642 114.554 0.059 0.000 2.904 1799 T HA 0.020 4.368 4.350 -0.003 0.000 0.267 1799 T C 1.907 176.617 174.700 0.016 0.000 1.059 1799 T CA 0.506 62.639 62.100 0.055 0.000 1.137 1799 T CB 0.123 69.023 68.868 0.052 0.000 0.879 1799 T HN 0.192 nan 8.240 nan 0.000 0.467 1800 M N 0.605 120.175 119.600 -0.050 0.000 2.200 1800 M HA -0.038 4.440 4.480 -0.003 0.000 0.265 1800 M C 2.116 178.349 176.300 -0.111 0.000 1.066 1800 M CA 1.121 56.354 55.300 -0.111 0.000 1.127 1800 M CB -0.136 32.336 32.600 -0.213 0.000 1.379 1800 M HN 0.041 nan 8.290 nan 0.000 0.420 1801 V N 0.917 120.750 119.914 -0.136 0.000 2.287 1801 V HA -0.292 3.826 4.120 -0.003 0.000 0.248 1801 V C 2.341 178.434 176.094 -0.001 0.000 1.053 1801 V CA 1.765 64.018 62.300 -0.078 0.000 1.027 1801 V CB -0.852 30.959 31.823 -0.021 0.000 0.646 1801 V HN 0.535 nan 8.190 nan 0.000 0.447 1802 L N 0.123 121.369 121.223 0.038 0.000 2.042 1802 L HA -0.178 4.160 4.340 -0.003 0.000 0.210 1802 L C 2.364 179.284 176.870 0.083 0.000 1.076 1802 L CA 1.970 56.866 54.840 0.094 0.000 0.749 1802 L CB -0.724 41.441 42.059 0.176 0.000 0.893 1802 L HN 0.238 nan 8.230 nan 0.000 0.432 1803 K N -0.731 119.720 120.400 0.086 0.000 2.148 1803 K HA -0.118 4.200 4.320 -0.003 0.000 0.204 1803 K C 1.958 178.610 176.600 0.088 0.000 1.050 1803 K CA 1.326 57.689 56.287 0.126 0.000 0.942 1803 K CB -0.237 32.315 32.500 0.087 0.000 0.724 1803 K HN 0.486 nan 8.250 nan 0.000 0.446 1804 N N 0.950 119.672 118.700 0.037 0.000 2.080 1804 N HA -0.094 4.644 4.740 -0.003 0.000 0.189 1804 N C 1.956 177.494 175.510 0.048 0.000 1.036 1804 N CA 1.136 54.208 53.050 0.036 0.000 0.846 1804 N CB -0.069 38.419 38.487 0.002 0.000 1.015 1804 N HN 0.108 nan 8.380 nan 0.000 0.423 1805 I N 1.537 122.124 120.570 0.028 0.000 2.208 1805 I HA -0.226 3.942 4.170 -0.003 0.000 0.245 1805 I C 2.363 178.467 176.117 -0.021 0.000 1.097 1805 I CA 0.857 62.165 61.300 0.013 0.000 1.363 1805 I CB -0.304 37.697 38.000 0.002 0.000 1.051 1805 I HN 0.080 nan 8.210 nan 0.000 0.413 1806 A N 0.362 123.144 122.820 -0.064 0.000 2.121 1806 A HA 0.081 4.399 4.320 -0.003 0.000 0.218 1806 A C 2.095 179.594 177.584 -0.141 0.000 1.154 1806 A CA 1.562 53.468 52.037 -0.218 0.000 0.679 1806 A CB -0.442 18.241 19.000 -0.529 0.000 0.795 1806 A HN 0.446 nan 8.150 nan 0.000 0.458 1807 A N -0.272 122.557 122.820 0.016 0.000 2.503 1807 A HA 0.370 4.688 4.320 -0.003 0.000 0.263 1807 A C 1.659 179.315 177.584 0.121 0.000 1.258 1807 A CA 0.787 52.875 52.037 0.084 0.000 0.936 1807 A CB -0.370 18.715 19.000 0.142 0.000 1.070 1807 A HN 0.730 nan 8.150 nan 0.000 0.522 1808 S N -1.282 114.496 115.700 0.130 0.000 2.593 1808 S HA 0.138 4.606 4.470 -0.003 0.000 0.217 1808 S C 1.770 176.463 174.600 0.155 0.000 0.966 1808 S CA 0.765 59.125 58.200 0.266 0.000 0.914 1808 S CB -0.303 63.023 63.200 0.209 0.000 0.776 1808 S HN 0.537 nan 8.310 nan 0.000 0.523 1809 G N 3.274 112.091 108.800 0.028 0.000 2.469 1809 G HA2 -0.329 3.629 3.960 -0.003 0.000 0.219 1809 G HA3 -0.329 3.629 3.960 -0.003 0.000 0.219 1809 G C 1.402 176.242 174.900 -0.100 0.000 1.150 1809 G CA 1.224 46.316 45.100 -0.013 0.000 0.763 1809 G HN 0.773 nan 8.290 nan 0.000 0.561 1810 K N -0.141 120.083 120.400 -0.293 0.000 2.360 1810 K HA 0.042 4.360 4.320 -0.003 0.000 0.201 1810 K C 1.286 177.596 176.600 -0.483 0.000 1.046 1810 K CA 0.976 56.995 56.287 -0.447 0.000 0.945 1810 K CB -0.427 31.686 32.500 -0.645 0.000 0.750 1810 K HN 0.290 nan 8.250 nan 0.000 0.464 1811 F N 1.363 121.336 119.950 0.037 0.000 2.693 1811 F HA 0.242 4.767 4.527 -0.004 0.000 0.303 1811 F C 0.662 176.496 175.800 0.057 0.000 1.143 1811 F CA -0.514 57.511 58.000 0.043 0.000 1.389 1811 F CB -0.321 38.695 39.000 0.027 0.000 1.060 1811 F HN -0.024 nan 8.300 nan 0.000 0.535 1812 S N 0.108 115.889 115.700 0.136 0.000 2.545 1812 S HA 0.129 4.597 4.470 -0.003 0.000 0.275 1812 S C 1.445 176.128 174.600 0.138 0.000 1.299 1812 S CA -0.131 58.146 58.200 0.129 0.000 1.048 1812 S CB 0.761 64.009 63.200 0.080 0.000 0.938 1812 S HN 0.331 nan 8.310 nan 0.000 0.496 1813 S N 3.278 119.082 115.700 0.175 0.000 2.507 1813 S HA -0.083 4.385 4.470 -0.003 0.000 0.235 1813 S C 0.955 175.630 174.600 0.125 0.000 0.988 1813 S CA 0.759 59.092 58.200 0.221 0.000 0.944 1813 S CB -0.347 63.045 63.200 0.320 0.000 0.762 1813 S HN 0.778 nan 8.310 nan 0.000 0.526 1814 D N 1.921 122.372 120.400 0.085 0.000 2.144 1814 D HA -0.067 4.571 4.640 -0.003 0.000 0.200 1814 D C 2.070 178.387 176.300 0.029 0.000 0.978 1814 D CA 0.810 54.838 54.000 0.047 0.000 0.833 1814 D CB -0.317 40.505 40.800 0.037 0.000 0.961 1814 D HN 0.383 nan 8.370 nan 0.000 0.470 1815 R N 0.572 121.091 120.500 0.031 0.000 2.075 1815 R HA -0.091 4.247 4.340 -0.003 0.000 0.232 1815 R C 1.779 178.085 176.300 0.010 0.000 1.126 1815 R CA 1.376 57.480 56.100 0.007 0.000 0.963 1815 R CB -0.446 29.845 30.300 -0.015 0.000 0.858 1815 R HN 0.094 nan 8.270 nan 0.000 0.435 1816 T N 2.184 116.769 114.554 0.051 0.000 2.652 1816 T HA -0.118 4.230 4.350 -0.003 0.000 0.267 1816 T C 1.928 176.646 174.700 0.029 0.000 1.039 1816 T CA 1.400 63.550 62.100 0.084 0.000 1.153 1816 T CB -0.127 68.870 68.868 0.216 0.000 0.863 1816 T HN 0.117 nan 8.240 nan 0.000 0.428 1817 I N 1.476 121.988 120.570 -0.096 0.000 2.208 1817 I HA -0.135 4.032 4.170 -0.003 0.000 0.245 1817 I C 2.302 178.398 176.117 -0.035 0.000 1.097 1817 I CA 1.458 62.671 61.300 -0.145 0.000 1.363 1817 I CB -0.980 36.954 38.000 -0.110 0.000 1.051 1817 I HN 0.331 nan 8.210 nan 0.000 0.413 1818 K N 0.712 121.105 120.400 -0.012 0.000 2.044 1818 K HA -0.224 4.094 4.320 -0.003 0.000 0.210 1818 K C 1.995 178.566 176.600 -0.049 0.000 1.049 1818 K CA 1.683 57.965 56.287 -0.007 0.000 0.927 1818 K CB -0.189 32.308 32.500 -0.006 0.000 0.713 1818 K HN 0.408 nan 8.250 nan 0.000 0.443 1819 E N -0.150 120.003 120.200 -0.079 0.000 2.058 1819 E HA -0.211 4.137 4.350 -0.003 0.000 0.194 1819 E C 2.005 178.452 176.600 -0.254 0.000 0.997 1819 E CA 1.465 57.776 56.400 -0.149 0.000 0.801 1819 E CB -0.205 29.395 29.700 -0.167 0.000 0.746 1819 E HN 0.322 nan 8.360 nan 0.000 0.450 1820 Y N 0.663 120.687 120.300 -0.460 0.000 2.097 1820 Y HA -0.287 4.261 4.550 -0.003 0.000 0.282 1820 Y C 2.481 177.902 175.900 -0.797 0.000 1.152 1820 Y CA 1.380 58.961 58.100 -0.865 0.000 1.136 1820 Y CB -0.478 37.072 38.460 -1.517 0.000 0.975 1820 Y HN 0.065 nan 8.280 nan 0.000 0.498 1821 A N -0.360 122.311 122.820 -0.247 0.000 1.908 1821 A HA -0.308 4.010 4.320 -0.003 0.000 0.218 1821 A C 2.186 179.797 177.584 0.045 0.000 1.181 1821 A CA 2.096 54.203 52.037 0.116 0.000 0.627 1821 A CB -0.828 18.299 19.000 0.211 0.000 0.818 1821 A HN 0.590 nan 8.150 nan 0.000 0.445 1822 Q N -0.846 118.935 119.800 -0.031 0.000 2.096 1822 Q HA -0.102 4.236 4.340 -0.003 0.000 0.197 1822 Q C 0.962 176.934 176.000 -0.047 0.000 0.964 1822 Q CA 1.414 57.202 55.803 -0.026 0.000 0.838 1822 Q CB -0.037 28.680 28.738 -0.036 0.000 0.906 1822 Q HN 0.675 nan 8.270 nan 0.000 0.444 1823 N N -0.738 117.895 118.700 -0.112 0.000 2.236 1823 N HA 0.176 4.914 4.740 -0.003 0.000 0.196 1823 N C 1.014 176.461 175.510 -0.105 0.000 1.114 1823 N CA 0.377 53.361 53.050 -0.110 0.000 0.859 1823 N CB 1.024 39.420 38.487 -0.151 0.000 0.982 1823 N HN 0.327 nan 8.380 nan 0.000 0.493 1824 I N -1.778 118.710 120.570 -0.136 0.000 3.990 1824 I HA 0.082 4.250 4.170 -0.003 0.000 0.275 1824 I C 1.047 177.271 176.117 0.179 0.000 1.157 1824 I CA -0.055 61.211 61.300 -0.056 0.000 1.338 1824 I CB 0.250 38.068 38.000 -0.305 0.000 1.588 1824 I HN -0.014 nan 8.210 nan 0.000 0.441 1825 W N 1.536 122.915 121.300 0.132 0.000 2.658 1825 W HA 0.145 4.803 4.660 -0.003 0.000 0.263 1825 W C 0.611 177.153 176.519 0.038 0.000 1.274 1825 W CA 0.252 57.655 57.345 0.095 0.000 1.343 1825 W CB -1.137 28.370 29.460 0.079 0.000 1.106 1825 W HN 0.300 nan 8.180 nan 0.000 0.615 1826 N N 0.076 118.909 118.700 0.222 0.000 2.726 1826 N HA -0.174 4.564 4.740 -0.003 0.000 0.253 1826 N C -0.874 174.707 175.510 0.117 0.000 1.059 1826 N CA 0.978 54.099 53.050 0.118 0.000 0.701 1826 N CB -1.173 37.355 38.487 0.069 0.000 0.899 1826 N HN -0.034 nan 8.380 nan 0.000 0.548 1827 V N -2.777 117.228 119.914 0.151 0.000 3.141 1827 V HA 0.794 4.912 4.120 -0.003 0.000 0.312 1827 V C 0.053 176.204 176.094 0.095 0.000 1.157 1827 V CA -0.908 61.459 62.300 0.110 0.000 1.041 1827 V CB 2.262 34.157 31.823 0.120 0.000 1.071 1827 V HN 0.202 nan 8.190 nan 0.000 0.441 1828 E N 1.961 122.203 120.200 0.069 0.000 2.218 1828 E HA 0.481 4.829 4.350 -0.003 0.000 0.263 1828 E C -2.801 173.837 176.600 0.063 0.000 0.879 1828 E CA -2.241 54.196 56.400 0.062 0.000 0.762 1828 E CB 2.446 32.175 29.700 0.050 0.000 1.166 1828 E HN 0.683 nan 8.360 nan 0.000 0.415 1829 P HA 0.008 nan 4.420 nan 0.000 0.263 1829 P C -0.843 176.490 177.300 0.055 0.000 1.276 1829 P CA -0.042 63.094 63.100 0.059 0.000 0.986 1829 P CB 0.175 31.907 31.700 0.053 0.000 1.105 1830 S N 2.659 118.399 115.700 0.067 0.000 2.429 1830 S HA 0.082 4.550 4.470 -0.003 0.000 0.292 1830 S C 0.298 174.926 174.600 0.046 0.000 1.183 1830 S CA -0.170 58.069 58.200 0.066 0.000 1.088 1830 S CB -0.363 62.898 63.200 0.102 0.000 1.018 1830 S HN 0.480 nan 8.310 nan 0.000 0.511 1831 D N 3.987 124.407 120.400 0.033 0.000 2.373 1831 D HA 0.588 5.226 4.640 -0.003 0.000 0.227 1831 D C 0.035 176.340 176.300 0.007 0.000 1.091 1831 D CA -0.628 53.385 54.000 0.021 0.000 0.840 1831 D CB 0.050 40.863 40.800 0.023 0.000 1.060 1831 D HN 0.480 nan 8.370 nan 0.000 0.502 1832 L N 0.278 121.497 121.223 -0.006 0.000 2.626 1832 L HA 0.615 4.953 4.340 -0.003 0.000 0.280 1832 L C -1.359 175.491 176.870 -0.034 0.000 0.798 1832 L CA -1.376 53.453 54.840 -0.019 0.000 1.129 1832 L CB 0.762 42.809 42.059 -0.020 0.000 1.650 1832 L HN 0.095 nan 8.230 nan 0.000 0.341 1833 K N 0.480 120.855 120.400 -0.043 0.000 2.570 1833 K HA 0.616 4.934 4.320 -0.003 0.000 0.256 1833 K C -1.852 174.717 176.600 -0.053 0.000 0.939 1833 K CA -0.412 55.844 56.287 -0.051 0.000 0.833 1833 K CB 2.727 35.199 32.500 -0.047 0.000 1.318 1833 K HN 0.419 nan 8.250 nan 0.000 0.433 1834 I N 2.823 123.356 120.570 -0.061 0.000 2.307 1834 I HA 0.086 4.254 4.170 -0.003 0.000 0.289 1834 I C 0.418 176.514 176.117 -0.035 0.000 1.021 1834 I CA -0.601 60.666 61.300 -0.055 0.000 1.224 1834 I CB 1.451 39.406 38.000 -0.076 0.000 1.376 1834 I HN 0.666 nan 8.210 nan 0.000 0.470 1835 S N 6.423 122.107 115.700 -0.025 0.000 2.817 1835 S HA -0.028 4.440 4.470 -0.003 0.000 0.333 1835 S C 0.591 175.184 174.600 -0.012 0.000 1.227 1835 S CA -0.180 58.011 58.200 -0.016 0.000 1.027 1835 S CB 0.211 63.405 63.200 -0.011 0.000 0.732 1835 S HN 0.440 nan 8.310 nan 0.000 0.499 1836 L N 2.310 123.530 121.223 -0.006 0.000 2.484 1836 L HA 0.113 4.451 4.340 -0.003 0.000 0.158 1836 L C 1.660 178.531 176.870 0.002 0.000 1.161 1836 L CA 0.375 55.215 54.840 0.001 0.000 2.088 1836 L CB -0.540 41.526 42.059 0.011 0.000 2.337 1836 L HN 0.947 nan 8.230 nan 0.000 0.594 1837 S N -0.084 115.618 115.700 0.005 0.000 2.835 1837 S HA 0.276 4.744 4.470 -0.003 0.000 0.194 1837 S C -0.168 174.434 174.600 0.003 0.000 1.364 1837 S CA -0.900 57.301 58.200 0.002 0.000 1.167 1837 S CB -0.647 62.553 63.200 0.000 0.000 1.223 1837 S HN 0.351 nan 8.310 nan 0.000 0.512 1838 N N 0.000 118.702 118.700 0.003 0.000 1.763 1838 N HA 0.000 4.738 4.740 -0.003 0.000 0.220 1838 N CA 0.000 53.052 53.050 0.003 0.000 0.885 1838 N CB 0.000 38.489 38.487 0.003 0.000 1.341 1838 N HN 0.000 nan 8.380 nan 0.000 0.667