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 1m0t_1_B DATA FIRST_RESID 1005 DATA SEQUENCE PPSKDQLNEL IQEVNQWAIT NGLSMYPPKF EENPSNASVS PVTIYPTPIP DATA SEQUENCE RKCFDEAVQI QPVFNELYAR ITQDMAQPDS YLXXXXXXXX XXXXEFTGKL DATA SEQUENCE WSLYLATLKS AQYKKQNFRL GIFRSDYLID KKXXXEQIKQ VEFNTVSVSF DATA SEQUENCE AGLSEKVDRL HSYLNRANKY DPKGPIYNDQ NMVISDSGYL LSKALAKAVE DATA SEQUENCE SYKSQQSSST TSDPIVAFIV QRNERNVFDQ KVLELNLLEK FGTKSVRLTF DATA SEQUENCE DDVNDKLFID DKTGKLFIRD TEQEIAVVYY RTGYTTTDYT SEKDWEARLF DATA SEQUENCE LEKSFAIKAP DLLTQLSGSK KIQQLLTDEG VLGKYISDAE KKSSLLKTFV DATA SEQUENCE KIYPLDDTKL GREGKRLALS EPSKYVLKPQ XXXXXNNVYK ENIPNFLKGI DATA SEQUENCE EERHWDAYIL MELIEPELNE NNIILRDNKS YNEPIISELG IYGCVLFNDE DATA SEQUENCE QVLSNEFSGS LLRSKFXXXX XXXXXXXXGC LDSIILY 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 1005 P HA 0.000 nan 4.420 nan 0.000 0.216 1005 P C 0.000 177.294 177.300 -0.011 0.000 1.155 1005 P CA 0.000 63.071 63.100 -0.048 0.000 0.800 1005 P CB 0.000 31.684 31.700 -0.026 0.000 0.726 1006 P HA 0.203 nan 4.420 nan 0.000 0.269 1006 P C 0.262 177.587 177.300 0.043 0.000 1.209 1006 P CA 0.046 63.184 63.100 0.064 0.000 0.776 1006 P CB 0.783 32.569 31.700 0.143 0.000 0.876 1007 S N 1.090 116.809 115.700 0.030 0.000 2.576 1007 S HA 0.013 4.483 4.470 -0.000 0.000 0.272 1007 S C 1.312 175.928 174.600 0.027 0.000 1.352 1007 S CA -0.369 57.843 58.200 0.021 0.000 1.021 1007 S CB 1.008 64.217 63.200 0.014 0.000 0.887 1007 S HN 0.639 nan 8.310 nan 0.000 0.542 1008 K N 0.752 121.163 120.400 0.018 0.000 2.059 1008 K HA -0.252 4.068 4.320 -0.000 0.000 0.212 1008 K C 0.951 177.564 176.600 0.020 0.000 1.050 1008 K CA 2.305 58.603 56.287 0.017 0.000 0.927 1008 K CB -0.456 32.050 32.500 0.009 0.000 0.714 1008 K HN 0.705 nan 8.250 nan 0.000 0.447 1009 D N 0.213 120.625 120.400 0.018 0.000 2.183 1009 D HA -0.102 4.538 4.640 -0.000 0.000 0.203 1009 D C 1.999 178.315 176.300 0.026 0.000 0.969 1009 D CA 0.929 54.941 54.000 0.019 0.000 0.842 1009 D CB -0.069 40.740 40.800 0.014 0.000 0.957 1009 D HN 0.371 nan 8.370 nan 0.000 0.484 1010 Q N -0.250 119.569 119.800 0.032 0.000 2.167 1010 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 1010 Q C 2.010 178.044 176.000 0.055 0.000 0.970 1010 Q CA 0.577 56.406 55.803 0.043 0.000 0.855 1010 Q CB 0.012 28.780 28.738 0.050 0.000 0.911 1010 Q HN 0.183 nan 8.270 nan 0.000 0.438 1011 L N 0.714 121.970 121.223 0.056 0.000 2.072 1011 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 1011 L C 1.540 178.436 176.870 0.043 0.000 1.079 1011 L CA 1.605 56.482 54.840 0.061 0.000 0.752 1011 L CB -0.414 41.684 42.059 0.064 0.000 0.906 1011 L HN 0.097 nan 8.230 nan 0.000 0.436 1012 N N -0.286 118.434 118.700 0.033 0.000 2.166 1012 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 1012 N C 1.819 177.346 175.510 0.029 0.000 1.019 1012 N CA 1.362 54.428 53.050 0.027 0.000 0.856 1012 N CB -0.178 38.322 38.487 0.020 0.000 0.993 1012 N HN 0.392 nan 8.380 nan 0.000 0.426 1013 E N 0.575 120.792 120.200 0.029 0.000 2.106 1013 E HA -0.052 4.298 4.350 -0.000 0.000 0.192 1013 E C 1.995 178.613 176.600 0.030 0.000 0.984 1013 E CA 0.225 56.642 56.400 0.029 0.000 0.806 1013 E CB -0.480 29.236 29.700 0.026 0.000 0.750 1013 E HN 0.239 nan 8.360 nan 0.000 0.458 1014 L N 0.375 121.616 121.223 0.030 0.000 2.093 1014 L HA 0.055 4.395 4.340 -0.000 0.000 0.208 1014 L C 2.156 179.038 176.870 0.020 0.000 1.085 1014 L CA 1.490 56.341 54.840 0.018 0.000 0.755 1014 L CB -0.436 41.636 42.059 0.022 0.000 0.904 1014 L HN 0.236 nan 8.230 nan 0.000 0.435 1015 I N -1.112 119.476 120.570 0.030 0.000 2.315 1015 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 1015 I C 2.486 178.630 176.117 0.045 0.000 1.117 1015 I CA 1.273 62.596 61.300 0.038 0.000 1.404 1015 I CB -0.215 37.809 38.000 0.039 0.000 1.071 1015 I HN 0.449 nan 8.210 nan 0.000 0.419 1016 Q N 0.781 120.606 119.800 0.042 0.000 2.119 1016 Q HA -0.213 4.127 4.340 -0.000 0.000 0.201 1016 Q C 2.100 178.137 176.000 0.062 0.000 0.972 1016 Q CA 1.243 57.073 55.803 0.045 0.000 0.847 1016 Q CB 0.151 28.911 28.738 0.037 0.000 0.903 1016 Q HN 0.357 nan 8.270 nan 0.000 0.433 1017 E N -0.138 120.102 120.200 0.068 0.000 2.077 1017 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 1017 E C 2.116 178.798 176.600 0.136 0.000 0.989 1017 E CA 1.127 57.591 56.400 0.107 0.000 0.800 1017 E CB -0.133 29.620 29.700 0.088 0.000 0.746 1017 E HN 0.242 nan 8.360 nan 0.000 0.452 1018 V N 2.420 122.390 119.914 0.094 0.000 2.261 1018 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 1018 V C 2.078 178.253 176.094 0.135 0.000 1.047 1018 V CA 1.752 64.115 62.300 0.106 0.000 1.015 1018 V CB -0.551 31.312 31.823 0.068 0.000 0.642 1018 V HN 0.213 nan 8.190 nan 0.000 0.446 1019 N N 0.012 118.768 118.700 0.093 0.000 2.069 1019 N HA -0.201 4.539 4.740 -0.000 0.000 0.191 1019 N C 1.942 177.488 175.510 0.061 0.000 1.031 1019 N CA 1.628 54.720 53.050 0.070 0.000 0.852 1019 N CB -0.369 38.147 38.487 0.048 0.000 1.018 1019 N HN 0.603 nan 8.380 nan 0.000 0.423 1020 Q N -0.712 119.127 119.800 0.065 0.000 2.030 1020 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 1020 Q C 1.997 178.008 176.000 0.018 0.000 0.986 1020 Q CA 1.473 57.295 55.803 0.031 0.000 0.843 1020 Q CB -0.311 28.453 28.738 0.044 0.000 0.904 1020 Q HN 0.474 nan 8.270 nan 0.000 0.420 1021 W N 0.945 122.180 121.300 -0.107 0.000 2.355 1021 W HA -0.222 4.438 4.660 -0.000 0.000 0.309 1021 W C 2.386 178.815 176.519 -0.149 0.000 1.206 1021 W CA 1.994 59.226 57.345 -0.189 0.000 1.284 1021 W CB -0.313 29.003 29.460 -0.239 0.000 1.145 1021 W HN 0.149 nan 8.180 nan 0.000 0.502 1022 A N 0.335 123.341 122.820 0.311 0.000 1.883 1022 A HA -0.234 4.085 4.320 -0.000 0.000 0.217 1022 A C 1.961 179.496 177.584 -0.082 0.000 1.186 1022 A CA 2.217 54.364 52.037 0.185 0.000 0.624 1022 A CB -1.093 18.015 19.000 0.180 0.000 0.822 1022 A HN 0.411 nan 8.150 nan 0.000 0.444 1023 I N -0.647 119.867 120.570 -0.094 0.000 2.252 1023 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 1023 I C 2.456 178.436 176.117 -0.229 0.000 1.102 1023 I CA 1.682 62.891 61.300 -0.152 0.000 1.385 1023 I CB -0.558 37.377 38.000 -0.107 0.000 1.064 1023 I HN 0.242 nan 8.210 nan 0.000 0.414 1024 T N 0.458 114.847 114.554 -0.274 0.000 2.881 1024 T HA -0.104 4.246 4.350 -0.000 0.000 0.270 1024 T C 1.457 175.893 174.700 -0.439 0.000 1.068 1024 T CA 1.116 63.013 62.100 -0.338 0.000 1.131 1024 T CB -0.227 68.412 68.868 -0.382 0.000 0.871 1024 T HN 0.340 nan 8.240 nan 0.000 0.479 1025 N N -0.025 118.332 118.700 -0.573 0.000 2.230 1025 N HA 0.175 4.915 4.740 -0.000 0.000 0.202 1025 N C 1.203 176.509 175.510 -0.340 0.000 1.119 1025 N CA 0.489 53.180 53.050 -0.597 0.000 0.851 1025 N CB 0.899 38.687 38.487 -1.166 0.000 0.990 1025 N HN 0.480 nan 8.380 nan 0.000 0.497 1026 G N 1.680 110.312 108.800 -0.281 0.000 2.160 1026 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.251 1026 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.251 1026 G C 0.043 174.856 174.900 -0.144 0.000 1.008 1026 G CA -0.087 44.868 45.100 -0.241 0.000 0.724 1026 G HN 0.309 nan 8.290 nan 0.000 0.514 1027 L N 2.159 123.335 121.223 -0.079 0.000 2.391 1027 L HA 0.644 4.984 4.340 -0.000 0.000 0.249 1027 L C 0.394 177.266 176.870 0.003 0.000 1.308 1027 L CA -0.023 54.837 54.840 0.034 0.000 1.209 1027 L CB -0.589 41.559 42.059 0.148 0.000 1.401 1027 L HN 0.271 nan 8.230 nan 0.000 0.416 1028 S N 3.057 118.739 115.700 -0.030 0.000 2.732 1028 S HA 0.814 5.284 4.470 -0.000 0.000 0.293 1028 S C -0.702 173.987 174.600 0.147 0.000 1.159 1028 S CA -0.859 57.311 58.200 -0.050 0.000 0.847 1028 S CB 2.154 65.164 63.200 -0.318 0.000 1.169 1028 S HN 0.475 nan 8.310 nan 0.000 0.501 1029 M N 0.566 120.259 119.600 0.154 0.000 2.578 1029 M HA 0.465 4.945 4.480 -0.000 0.000 0.276 1029 M C -2.191 174.242 176.300 0.223 0.000 1.245 1029 M CA -0.594 54.851 55.300 0.242 0.000 0.871 1029 M CB 1.867 34.565 32.600 0.162 0.000 1.722 1029 M HN 0.833 nan 8.290 nan 0.000 0.473 1030 Y N 3.020 123.383 120.300 0.105 0.000 2.319 1030 Y HA 0.374 4.924 4.550 -0.000 0.000 0.328 1030 Y C -1.928 174.011 175.900 0.064 0.000 1.133 1030 Y CA -1.574 56.513 58.100 -0.022 0.000 1.265 1030 Y CB 0.953 39.014 38.460 -0.666 0.000 1.218 1030 Y HN 0.368 nan 8.280 nan 0.000 0.508 1031 P HA 0.161 nan 4.420 nan 0.000 0.277 1031 P C -2.763 174.700 177.300 0.271 0.000 1.271 1031 P CA -2.019 61.227 63.100 0.243 0.000 0.795 1031 P CB 0.442 32.264 31.700 0.202 0.000 1.101 1032 P HA -0.001 nan 4.420 nan 0.000 0.268 1032 P C -0.173 177.206 177.300 0.131 0.000 1.205 1032 P CA 0.489 63.688 63.100 0.166 0.000 0.771 1032 P CB 0.006 31.771 31.700 0.108 0.000 0.858 1033 K N 0.426 120.866 120.400 0.067 0.000 3.230 1033 K HA -0.208 4.112 4.320 -0.000 0.000 0.285 1033 K C 0.853 177.377 176.600 -0.126 0.000 1.196 1033 K CA 1.287 57.531 56.287 -0.072 0.000 0.838 1033 K CB -3.167 29.311 32.500 -0.036 0.000 1.262 1033 K HN 0.726 nan 8.250 nan 0.000 0.492 1034 F N 0.590 120.475 119.950 -0.108 0.000 2.333 1034 F HA -0.014 4.513 4.527 -0.000 0.000 0.300 1034 F C 1.715 177.357 175.800 -0.263 0.000 1.083 1034 F CA 1.358 59.229 58.000 -0.215 0.000 1.395 1034 F CB -0.429 38.292 39.000 -0.465 0.000 1.056 1034 F HN 0.215 nan 8.300 nan 0.000 0.529 1035 E N 1.306 120.837 120.200 -1.115 0.000 2.147 1035 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 1035 E C 1.852 178.246 176.600 -0.343 0.000 1.005 1035 E CA 1.961 57.887 56.400 -0.789 0.000 0.810 1035 E CB -0.588 28.744 29.700 -0.613 0.000 0.736 1035 E HN 0.662 nan 8.360 nan 0.000 0.460 1036 E N -0.036 120.022 120.200 -0.237 0.000 2.118 1036 E HA -0.097 4.253 4.350 -0.000 0.000 0.195 1036 E C 0.407 176.965 176.600 -0.070 0.000 0.992 1036 E CA 0.916 57.245 56.400 -0.120 0.000 0.804 1036 E CB -0.024 29.629 29.700 -0.079 0.000 0.741 1036 E HN 0.168 nan 8.360 nan 0.000 0.458 1037 N N -0.888 117.783 118.700 -0.049 0.000 2.827 1037 N HA 0.095 4.835 4.740 -0.000 0.000 0.240 1037 N C -2.651 172.898 175.510 0.066 0.000 1.352 1037 N CA -1.085 51.973 53.050 0.013 0.000 0.760 1037 N CB 1.070 39.577 38.487 0.034 0.000 1.426 1037 N HN -0.209 nan 8.380 nan 0.000 0.561 1038 P HA -0.011 nan 4.420 nan 0.000 0.247 1038 P C 0.730 178.232 177.300 0.337 0.000 1.225 1038 P CA 0.534 63.726 63.100 0.153 0.000 0.768 1038 P CB 0.058 31.848 31.700 0.149 0.000 1.020 1039 S N -2.227 113.604 115.700 0.218 0.000 2.556 1039 S HA 0.057 4.527 4.470 -0.000 0.000 0.216 1039 S C 0.658 175.358 174.600 0.167 0.000 0.970 1039 S CA -0.522 57.786 58.200 0.180 0.000 0.912 1039 S CB -0.682 62.578 63.200 0.100 0.000 0.790 1039 S HN 0.097 nan 8.310 nan 0.000 0.504 1040 N N 0.856 119.695 118.700 0.231 0.000 2.296 1040 N HA 0.622 5.362 4.740 -0.000 0.000 0.294 1040 N C -1.263 174.407 175.510 0.266 0.000 1.033 1040 N CA -0.259 52.897 53.050 0.176 0.000 0.839 1040 N CB 2.180 40.745 38.487 0.129 0.000 1.395 1040 N HN 0.225 nan 8.380 nan 0.000 0.479 1041 A N 1.799 124.684 122.820 0.109 0.000 2.515 1041 A HA 0.758 5.078 4.320 -0.000 0.000 0.296 1041 A C -0.906 176.684 177.584 0.010 0.000 1.094 1041 A CA -0.597 51.476 52.037 0.059 0.000 0.718 1041 A CB 1.447 20.272 19.000 -0.291 0.000 1.307 1041 A HN 0.622 nan 8.150 nan 0.000 0.408 1042 S N -0.602 115.121 115.700 0.037 0.000 2.607 1042 S HA 0.596 5.066 4.470 -0.000 0.000 0.303 1042 S C -0.261 174.347 174.600 0.013 0.000 1.086 1042 S CA -0.626 57.595 58.200 0.035 0.000 0.995 1042 S CB 1.645 64.894 63.200 0.083 0.000 1.084 1042 S HN 0.710 nan 8.310 nan 0.000 0.507 1043 V N 3.100 123.027 119.914 0.021 0.000 2.655 1043 V HA 0.150 4.270 4.120 -0.000 0.000 0.300 1043 V C 0.888 177.015 176.094 0.056 0.000 1.044 1043 V CA -0.271 62.046 62.300 0.029 0.000 1.095 1043 V CB 0.577 32.427 31.823 0.044 0.000 0.952 1043 V HN 1.035 nan 8.190 nan 0.000 0.485 1044 S N 7.023 122.759 115.700 0.061 0.000 2.579 1044 S HA 0.303 4.773 4.470 -0.000 0.000 0.275 1044 S C -2.206 172.427 174.600 0.056 0.000 1.345 1044 S CA -1.066 57.177 58.200 0.073 0.000 1.031 1044 S CB 0.677 63.928 63.200 0.085 0.000 0.892 1044 S HN 0.687 nan 8.310 nan 0.000 0.529 1045 P HA 0.277 nan 4.420 nan 0.000 0.271 1045 P C -0.375 176.927 177.300 0.003 0.000 1.220 1045 P CA -0.252 62.867 63.100 0.032 0.000 0.768 1045 P CB 0.656 32.362 31.700 0.010 0.000 0.848 1046 V N -0.096 119.837 119.914 0.031 0.000 3.188 1046 V HA 0.676 4.796 4.120 -0.000 0.000 0.305 1046 V C -0.002 176.139 176.094 0.079 0.000 1.232 1046 V CA -0.991 61.328 62.300 0.030 0.000 1.043 1046 V CB 1.406 33.246 31.823 0.029 0.000 1.068 1046 V HN 0.625 nan 8.190 nan 0.000 0.439 1047 T N -0.193 114.431 114.554 0.117 0.000 2.899 1047 T HA 0.553 4.903 4.350 -0.000 0.000 0.284 1047 T C 0.917 175.739 174.700 0.203 0.000 1.004 1047 T CA -0.547 61.639 62.100 0.145 0.000 1.043 1047 T CB 1.189 70.139 68.868 0.138 0.000 1.013 1047 T HN 0.587 nan 8.240 nan 0.000 0.518 1048 I N -0.539 120.068 120.570 0.062 0.000 2.585 1048 I HA 0.134 4.304 4.170 -0.000 0.000 0.254 1048 I C 0.403 176.251 176.117 -0.448 0.000 1.129 1048 I CA 0.687 61.904 61.300 -0.137 0.000 1.455 1048 I CB -0.749 37.059 38.000 -0.319 0.000 1.111 1048 I HN 0.640 nan 8.210 nan 0.000 0.433 1049 Y N 1.669 121.851 120.300 -0.197 0.000 2.602 1049 Y HA 0.464 5.014 4.550 -0.000 0.000 0.330 1049 Y C -2.162 173.419 175.900 -0.532 0.000 1.114 1049 Y CA -2.724 55.128 58.100 -0.413 0.000 1.182 1049 Y CB 0.312 38.623 38.460 -0.249 0.000 1.305 1049 Y HN -0.139 nan 8.280 nan 0.000 0.502 1050 P HA 0.160 nan 4.420 nan 0.000 0.281 1050 P C -0.849 176.384 177.300 -0.112 0.000 1.249 1050 P CA -0.371 62.612 63.100 -0.195 0.000 0.810 1050 P CB 1.319 32.833 31.700 -0.310 0.000 1.008 1051 T N 3.200 117.729 114.554 -0.041 0.000 2.829 1051 T HA 0.388 4.738 4.350 -0.000 0.000 0.282 1051 T C -2.358 172.334 174.700 -0.015 0.000 0.990 1051 T CA -1.466 60.621 62.100 -0.021 0.000 1.028 1051 T CB 0.428 69.305 68.868 0.013 0.000 0.951 1051 T HN 0.269 nan 8.240 nan 0.000 0.460 1052 P HA 0.288 nan 4.420 nan 0.000 0.271 1052 P C -0.864 176.579 177.300 0.237 0.000 1.220 1052 P CA -0.217 62.931 63.100 0.079 0.000 0.768 1052 P CB 0.378 32.017 31.700 -0.102 0.000 0.848 1053 I N 4.892 125.641 120.570 0.298 0.000 2.619 1053 I HA 0.301 4.471 4.170 -0.000 0.000 0.292 1053 I C -2.560 173.501 176.117 -0.093 0.000 1.100 1053 I CA -3.135 58.267 61.300 0.170 0.000 1.043 1053 I CB 2.129 40.176 38.000 0.079 0.000 1.239 1053 I HN 0.043 nan 8.210 nan 0.000 0.420 1054 P HA 0.200 nan 4.420 nan 0.000 0.267 1054 P C 0.823 177.953 177.300 -0.284 0.000 1.209 1054 P CA -0.077 62.633 63.100 -0.650 0.000 0.763 1054 P CB 0.754 32.210 31.700 -0.406 0.000 0.816 1055 R N 4.215 124.545 120.500 -0.283 0.000 2.103 1055 R HA -0.242 4.098 4.340 -0.000 0.000 0.242 1055 R C 2.194 178.479 176.300 -0.026 0.000 1.142 1055 R CA 2.489 58.532 56.100 -0.094 0.000 0.960 1055 R CB -0.607 29.638 30.300 -0.091 0.000 0.858 1055 R HN 0.369 nan 8.270 nan 0.000 0.439 1056 K N 0.177 120.522 120.400 -0.091 0.000 2.063 1056 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 1056 K C 2.128 178.689 176.600 -0.065 0.000 1.048 1056 K CA 1.754 57.999 56.287 -0.070 0.000 0.928 1056 K CB -1.352 31.098 32.500 -0.084 0.000 0.713 1056 K HN 0.465 nan 8.250 nan 0.000 0.442 1057 C N -0.817 118.441 119.300 -0.070 0.000 2.446 1057 C HA 0.080 4.540 4.460 -0.000 0.000 0.277 1057 C C 2.404 177.355 174.990 -0.064 0.000 1.275 1057 C CA 0.588 59.562 59.018 -0.074 0.000 1.727 1057 C CB -1.057 26.649 27.740 -0.056 0.000 2.010 1057 C HN 0.678 nan 8.230 nan 0.000 0.486 1058 F N 2.173 122.043 119.950 -0.134 0.000 2.146 1058 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 1058 F C 2.117 177.840 175.800 -0.129 0.000 1.096 1058 F CA 1.924 59.858 58.000 -0.111 0.000 1.275 1058 F CB -0.354 38.600 39.000 -0.076 0.000 1.008 1058 F HN 0.210 nan 8.300 nan 0.000 0.480 1059 D N 0.239 120.600 120.400 -0.065 0.000 2.117 1059 D HA -0.215 4.425 4.640 -0.000 0.000 0.198 1059 D C 2.108 178.264 176.300 -0.240 0.000 0.982 1059 D CA 1.445 55.343 54.000 -0.170 0.000 0.828 1059 D CB -0.483 40.288 40.800 -0.048 0.000 0.967 1059 D HN 0.542 nan 8.370 nan 0.000 0.464 1060 E N 0.778 120.861 120.200 -0.194 0.000 2.077 1060 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 1060 E C 1.988 178.439 176.600 -0.248 0.000 0.989 1060 E CA 1.001 57.287 56.400 -0.189 0.000 0.800 1060 E CB 0.062 29.665 29.700 -0.162 0.000 0.746 1060 E HN 0.139 nan 8.360 nan 0.000 0.452 1061 A N 0.603 123.206 122.820 -0.362 0.000 1.877 1061 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 1061 A C 2.424 179.844 177.584 -0.274 0.000 1.186 1061 A CA 1.500 53.281 52.037 -0.426 0.000 0.620 1061 A CB -0.746 17.929 19.000 -0.542 0.000 0.822 1061 A HN 0.228 nan 8.150 nan 0.000 0.443 1062 V N -0.076 119.547 119.914 -0.484 0.000 2.295 1062 V HA -0.321 3.799 4.120 -0.000 0.000 0.246 1062 V C 2.739 178.618 176.094 -0.357 0.000 1.049 1062 V CA 2.374 64.303 62.300 -0.618 0.000 1.024 1062 V CB -0.793 30.418 31.823 -1.020 0.000 0.648 1062 V HN 0.764 nan 8.190 nan 0.000 0.447 1063 Q N -0.066 119.571 119.800 -0.271 0.000 2.124 1063 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 1063 Q C 2.120 178.091 176.000 -0.048 0.000 0.977 1063 Q CA 2.270 57.985 55.803 -0.147 0.000 0.850 1063 Q CB -0.167 28.491 28.738 -0.134 0.000 0.901 1063 Q HN 0.876 nan 8.270 nan 0.000 0.429 1064 I N -2.185 118.379 120.570 -0.010 0.000 3.251 1064 I HA -0.036 4.134 4.170 -0.000 0.000 0.277 1064 I C 2.070 178.327 176.117 0.234 0.000 1.268 1064 I CA 0.419 61.758 61.300 0.066 0.000 1.449 1064 I CB -0.223 37.819 38.000 0.070 0.000 1.083 1064 I HN 0.096 nan 8.210 nan 0.000 0.464 1065 Q N 2.690 122.671 119.800 0.302 0.000 2.062 1065 Q HA -0.151 4.189 4.340 -0.000 0.000 0.209 1065 Q C -0.478 175.752 176.000 0.384 0.000 0.996 1065 Q CA 2.755 58.825 55.803 0.444 0.000 0.859 1065 Q CB -1.626 27.381 28.738 0.448 0.000 0.920 1065 Q HN 0.350 nan 8.270 nan 0.000 0.415 1066 P HA -0.144 nan 4.420 nan 0.000 0.217 1066 P C 1.154 178.543 177.300 0.149 0.000 1.148 1066 P CA 1.383 64.601 63.100 0.196 0.000 0.828 1066 P CB -0.033 31.746 31.700 0.132 0.000 0.783 1067 V N -1.893 118.072 119.914 0.085 0.000 2.427 1067 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 1067 V C 2.075 178.141 176.094 -0.048 0.000 1.051 1067 V CA 1.640 63.917 62.300 -0.037 0.000 1.048 1067 V CB -1.297 30.428 31.823 -0.163 0.000 0.666 1067 V HN -0.013 nan 8.190 nan 0.000 0.456 1068 F N 1.029 121.040 119.950 0.102 0.000 2.146 1068 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 1068 F C 2.409 178.304 175.800 0.159 0.000 1.096 1068 F CA 1.354 59.391 58.000 0.062 0.000 1.275 1068 F CB -0.703 38.335 39.000 0.064 0.000 1.008 1068 F HN 0.174 nan 8.300 nan 0.000 0.480 1069 N N 0.335 119.335 118.700 0.501 0.000 2.061 1069 N HA -0.242 4.498 4.740 -0.000 0.000 0.193 1069 N C 1.922 177.627 175.510 0.326 0.000 1.030 1069 N CA 1.604 54.990 53.050 0.560 0.000 0.856 1069 N CB -0.682 38.048 38.487 0.405 0.000 1.023 1069 N HN 0.421 nan 8.380 nan 0.000 0.424 1070 E N 0.242 120.539 120.200 0.162 0.000 2.106 1070 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 1070 E C 1.965 178.544 176.600 -0.035 0.000 0.984 1070 E CA 0.477 56.896 56.400 0.033 0.000 0.806 1070 E CB -0.055 29.654 29.700 0.016 0.000 0.750 1070 E HN 0.137 nan 8.360 nan 0.000 0.458 1071 L N 0.162 121.360 121.223 -0.043 0.000 1.994 1071 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 1071 L C 1.905 178.578 176.870 -0.328 0.000 1.071 1071 L CA 1.842 56.568 54.840 -0.191 0.000 0.745 1071 L CB -0.758 41.154 42.059 -0.246 0.000 0.892 1071 L HN 0.208 nan 8.230 nan 0.000 0.431 1072 Y N -0.464 119.718 120.300 -0.197 0.000 2.373 1072 Y HA -0.043 4.507 4.550 -0.000 0.000 0.293 1072 Y C 2.473 178.259 175.900 -0.189 0.000 1.129 1072 Y CA 1.114 59.085 58.100 -0.215 0.000 1.226 1072 Y CB -0.646 37.650 38.460 -0.274 0.000 1.000 1072 Y HN 0.333 nan 8.280 nan 0.000 0.549 1073 A N 0.225 122.964 122.820 -0.135 0.000 1.897 1073 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 1073 A C 2.221 179.503 177.584 -0.504 0.000 1.181 1073 A CA 1.320 52.931 52.037 -0.710 0.000 0.620 1073 A CB -0.401 18.061 19.000 -0.896 0.000 0.821 1073 A HN 0.359 nan 8.150 nan 0.000 0.443 1074 R N -0.560 119.774 120.500 -0.277 0.000 2.092 1074 R HA -0.034 4.306 4.340 -0.000 0.000 0.231 1074 R C 1.909 178.117 176.300 -0.153 0.000 1.119 1074 R CA 1.216 57.237 56.100 -0.132 0.000 0.970 1074 R CB -0.349 29.943 30.300 -0.013 0.000 0.864 1074 R HN 0.409 nan 8.270 nan 0.000 0.440 1075 I N 0.761 121.104 120.570 -0.378 0.000 2.163 1075 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 1075 I C 2.066 178.096 176.117 -0.144 0.000 1.085 1075 I CA 1.745 62.766 61.300 -0.465 0.000 1.347 1075 I CB -1.281 36.387 38.000 -0.554 0.000 1.044 1075 I HN 0.187 nan 8.210 nan 0.000 0.408 1076 T N 0.665 115.179 114.554 -0.067 0.000 2.720 1076 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 1076 T C 1.887 176.660 174.700 0.123 0.000 1.037 1076 T CA 1.390 63.538 62.100 0.080 0.000 1.144 1076 T CB -0.234 68.774 68.868 0.233 0.000 0.864 1076 T HN 0.417 nan 8.240 nan 0.000 0.444 1077 Q N 0.346 120.207 119.800 0.102 0.000 2.119 1077 Q HA -0.122 4.218 4.340 -0.000 0.000 0.201 1077 Q C 2.150 178.224 176.000 0.123 0.000 0.972 1077 Q CA 1.345 57.234 55.803 0.143 0.000 0.847 1077 Q CB -0.159 28.647 28.738 0.115 0.000 0.903 1077 Q HN 0.418 nan 8.270 nan 0.000 0.433 1078 D N 0.339 120.810 120.400 0.119 0.000 2.117 1078 D HA -0.093 4.547 4.640 -0.000 0.000 0.198 1078 D C 1.691 178.070 176.300 0.131 0.000 0.982 1078 D CA 1.066 55.158 54.000 0.154 0.000 0.828 1078 D CB 0.091 41.067 40.800 0.293 0.000 0.967 1078 D HN 0.143 nan 8.370 nan 0.000 0.464 1079 M N -0.259 119.405 119.600 0.107 0.000 2.296 1079 M HA -0.036 4.444 4.480 -0.000 0.000 0.265 1079 M C 2.044 178.421 176.300 0.129 0.000 1.064 1079 M CA 1.117 56.483 55.300 0.111 0.000 1.109 1079 M CB 0.019 32.662 32.600 0.072 0.000 1.396 1079 M HN 0.065 nan 8.290 nan 0.000 0.430 1080 A N -0.529 122.368 122.820 0.127 0.000 2.119 1080 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 1080 A C 0.900 178.584 177.584 0.166 0.000 1.153 1080 A CA 0.652 52.785 52.037 0.161 0.000 0.692 1080 A CB -0.097 19.003 19.000 0.166 0.000 0.799 1080 A HN 0.341 nan 8.150 nan 0.000 0.458 1081 Q N 0.157 120.039 119.800 0.136 0.000 2.274 1081 Q HA 0.221 4.561 4.340 -0.000 0.000 0.256 1081 Q C -1.780 174.290 176.000 0.117 0.000 0.927 1081 Q CA -2.213 53.655 55.803 0.109 0.000 0.939 1081 Q CB 1.098 29.881 28.738 0.076 0.000 1.201 1081 Q HN 0.291 nan 8.270 nan 0.000 0.426 1082 P HA -0.209 nan 4.420 nan 0.000 0.213 1082 P C 0.690 178.038 177.300 0.080 0.000 1.170 1082 P CA 2.097 65.265 63.100 0.113 0.000 0.898 1082 P CB 0.002 31.752 31.700 0.084 0.000 0.787 1083 D N -0.386 120.032 120.400 0.030 0.000 2.378 1083 D HA 0.121 4.761 4.640 -0.000 0.000 0.227 1083 D C 1.386 177.629 176.300 -0.095 0.000 1.012 1083 D CA 0.802 54.785 54.000 -0.029 0.000 0.905 1083 D CB -0.798 39.970 40.800 -0.054 0.000 0.895 1083 D HN 0.509 nan 8.370 nan 0.000 0.532 1084 S N -1.409 114.278 115.700 -0.023 0.000 2.564 1084 S HA 0.473 4.942 4.470 -0.000 0.000 0.278 1084 S C 0.844 175.474 174.600 0.050 0.000 1.333 1084 S CA -0.483 57.702 58.200 -0.026 0.000 1.048 1084 S CB -0.050 63.184 63.200 0.056 0.000 0.900 1084 S HN 0.494 nan 8.310 nan 0.000 0.505 1085 Y N 1.138 121.460 120.300 0.037 0.000 2.421 1085 Y HA -0.023 4.527 4.550 -0.000 0.000 0.292 1085 Y C 1.221 177.136 175.900 0.025 0.000 1.136 1085 Y CA -0.071 58.043 58.100 0.023 0.000 1.255 1085 Y CB 0.215 38.680 38.460 0.007 0.000 0.991 1085 Y HN 0.710 nan 8.280 nan 0.000 0.552 1100 F N 2.911 122.866 119.950 0.008 0.000 2.091 1100 F HA -0.148 4.379 4.527 -0.000 0.000 0.299 1100 F C 2.420 178.239 175.800 0.033 0.000 1.103 1100 F CA 3.267 61.296 58.000 0.049 0.000 1.228 1100 F CB -0.625 38.443 39.000 0.113 0.000 0.984 1100 F HN 0.269 nan 8.300 nan 0.000 0.477 1101 T N -0.041 114.503 114.554 -0.016 0.000 2.759 1101 T HA -0.133 4.217 4.350 -0.000 0.000 0.269 1101 T C 2.148 176.800 174.700 -0.080 0.000 1.042 1101 T CA 1.445 63.486 62.100 -0.098 0.000 1.140 1101 T CB -1.212 67.664 68.868 0.012 0.000 0.864 1101 T HN 0.483 nan 8.240 nan 0.000 0.455 1102 G N 1.306 110.069 108.800 -0.062 0.000 2.422 1102 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 1102 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 1102 G C 1.606 176.446 174.900 -0.100 0.000 1.146 1102 G CA 1.137 46.215 45.100 -0.037 0.000 0.769 1102 G HN 0.382 nan 8.290 nan 0.000 0.547 1103 K N 0.456 120.684 120.400 -0.287 0.000 2.026 1103 K HA 0.106 4.425 4.320 -0.000 0.000 0.208 1103 K C 2.459 178.773 176.600 -0.476 0.000 1.048 1103 K CA 0.859 56.802 56.287 -0.572 0.000 0.929 1103 K CB -0.610 31.245 32.500 -1.075 0.000 0.713 1103 K HN 0.335 nan 8.250 nan 0.000 0.439 1104 L N -0.470 120.531 121.223 -0.371 0.000 2.012 1104 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 1104 L C 2.457 179.322 176.870 -0.009 0.000 1.073 1104 L CA 1.559 56.300 54.840 -0.166 0.000 0.748 1104 L CB -0.577 41.346 42.059 -0.228 0.000 0.891 1104 L HN 0.459 nan 8.230 nan 0.000 0.431 1105 W N 0.346 121.578 121.300 -0.114 0.000 2.363 1105 W HA -0.242 4.417 4.660 -0.000 0.000 0.296 1105 W C 2.695 179.228 176.519 0.023 0.000 1.212 1105 W CA 1.751 59.095 57.345 -0.001 0.000 1.260 1105 W CB -0.111 29.334 29.460 -0.024 0.000 1.131 1105 W HN 0.213 nan 8.180 nan 0.000 0.530 1106 S N 0.793 116.501 115.700 0.012 0.000 2.359 1106 S HA -0.234 4.236 4.470 -0.000 0.000 0.224 1106 S C 1.906 176.414 174.600 -0.153 0.000 1.035 1106 S CA 1.694 59.841 58.200 -0.088 0.000 1.018 1106 S CB -0.563 62.553 63.200 -0.141 0.000 0.876 1106 S HN 0.152 nan 8.310 nan 0.000 0.448 1107 L N 0.657 121.804 121.223 -0.126 0.000 2.046 1107 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 1107 L C 2.220 179.031 176.870 -0.099 0.000 1.077 1107 L CA 1.955 56.755 54.840 -0.067 0.000 0.747 1107 L CB -1.247 40.831 42.059 0.032 0.000 0.896 1107 L HN 0.527 nan 8.230 nan 0.000 0.432 1108 Y N -0.145 119.997 120.300 -0.263 0.000 2.081 1108 Y HA -0.293 4.257 4.550 -0.000 0.000 0.280 1108 Y C 2.327 177.990 175.900 -0.395 0.000 1.163 1108 Y CA 1.694 59.581 58.100 -0.354 0.000 1.135 1108 Y CB -0.489 37.624 38.460 -0.577 0.000 0.970 1108 Y HN 0.090 nan 8.280 nan 0.000 0.498 1109 L N -0.223 120.609 121.223 -0.652 0.000 2.079 1109 L HA -0.282 4.058 4.340 -0.000 0.000 0.210 1109 L C 2.779 179.414 176.870 -0.392 0.000 1.081 1109 L CA 1.259 55.753 54.840 -0.576 0.000 0.752 1109 L CB -1.081 40.771 42.059 -0.346 0.000 0.896 1109 L HN 0.392 nan 8.230 nan 0.000 0.433 1110 A N 0.131 122.788 122.820 -0.272 0.000 1.933 1110 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 1110 A C 2.398 179.873 177.584 -0.181 0.000 1.175 1110 A CA 2.195 54.129 52.037 -0.171 0.000 0.628 1110 A CB -0.939 18.003 19.000 -0.096 0.000 0.814 1110 A HN 0.544 nan 8.150 nan 0.000 0.444 1111 T N -2.713 111.698 114.554 -0.239 0.000 3.007 1111 T HA -0.009 4.341 4.350 -0.000 0.000 0.270 1111 T C 1.387 175.943 174.700 -0.241 0.000 1.107 1111 T CA 1.187 63.171 62.100 -0.193 0.000 1.118 1111 T CB -0.323 68.454 68.868 -0.152 0.000 0.889 1111 T HN 0.079 nan 8.240 nan 0.000 0.506 1112 L N 0.641 121.653 121.223 -0.351 0.000 2.465 1112 L HA 0.281 4.621 4.340 -0.000 0.000 0.224 1112 L C 1.139 177.904 176.870 -0.176 0.000 1.145 1112 L CA 0.870 55.535 54.840 -0.290 0.000 0.834 1112 L CB -0.746 41.099 42.059 -0.356 0.000 0.944 1112 L HN 0.295 nan 8.230 nan 0.000 0.451 1113 K N 0.510 120.818 120.400 -0.153 0.000 2.416 1113 K HA 0.129 4.449 4.320 -0.000 0.000 0.283 1113 K C 0.983 177.514 176.600 -0.115 0.000 1.037 1113 K CA -0.050 56.170 56.287 -0.111 0.000 0.995 1113 K CB 0.351 32.798 32.500 -0.089 0.000 0.938 1113 K HN 0.194 nan 8.250 nan 0.000 0.475 1114 S N 1.561 117.198 115.700 -0.105 0.000 2.564 1114 S HA 0.243 4.713 4.470 -0.000 0.000 0.263 1114 S C 0.150 174.646 174.600 -0.174 0.000 1.378 1114 S CA -0.461 57.665 58.200 -0.124 0.000 0.996 1114 S CB 0.676 63.821 63.200 -0.092 0.000 0.881 1114 S HN 0.717 nan 8.310 nan 0.000 0.555 1115 A N 0.260 122.932 122.820 -0.246 0.000 2.610 1115 A HA 0.543 4.863 4.320 -0.000 0.000 0.291 1115 A C 0.455 177.839 177.584 -0.334 0.000 1.086 1115 A CA -0.782 51.025 52.037 -0.383 0.000 0.677 1115 A CB 0.624 19.135 19.000 -0.816 0.000 1.278 1115 A HN 0.784 nan 8.150 nan 0.000 0.414 1116 Q N -0.780 118.867 119.800 -0.254 0.000 2.170 1116 Q HA -0.078 4.262 4.340 -0.000 0.000 0.203 1116 Q C -0.073 175.893 176.000 -0.057 0.000 0.976 1116 Q CA 1.858 57.610 55.803 -0.086 0.000 0.858 1116 Q CB -0.355 28.406 28.738 0.039 0.000 0.907 1116 Q HN 0.740 nan 8.270 nan 0.000 0.433 1117 Y N -0.055 120.227 120.300 -0.030 0.000 2.453 1117 Y HA 0.394 4.944 4.550 -0.000 0.000 0.326 1117 Y C -0.136 175.748 175.900 -0.027 0.000 1.186 1117 Y CA -2.040 56.023 58.100 -0.062 0.000 1.200 1117 Y CB 0.470 38.863 38.460 -0.112 0.000 1.247 1117 Y HN -0.295 nan 8.280 nan 0.000 0.482 1118 K N 3.011 123.498 120.400 0.145 0.000 2.368 1118 K HA 0.176 4.496 4.320 -0.000 0.000 0.282 1118 K C -0.975 175.844 176.600 0.365 0.000 1.035 1118 K CA -0.197 56.177 56.287 0.146 0.000 0.973 1118 K CB 0.732 33.295 32.500 0.104 0.000 0.957 1118 K HN 0.900 nan 8.250 nan 0.000 0.474 1119 K N 2.320 122.891 120.400 0.284 0.000 2.319 1119 K HA -0.059 4.261 4.320 -0.000 0.000 0.265 1119 K C 0.184 176.979 176.600 0.325 0.000 1.000 1119 K CA -0.277 56.224 56.287 0.357 0.000 0.943 1119 K CB 0.319 32.917 32.500 0.163 0.000 0.950 1119 K HN 0.521 nan 8.250 nan 0.000 0.485 1120 Q N 2.690 122.573 119.800 0.138 0.000 2.271 1120 Q HA -0.041 4.299 4.340 -0.000 0.000 0.273 1120 Q C 0.324 176.293 176.000 -0.052 0.000 1.051 1120 Q CA 0.337 55.962 55.803 -0.296 0.000 0.901 1120 Q CB 0.378 28.757 28.738 -0.597 0.000 1.174 1120 Q HN 0.599 nan 8.270 nan 0.000 0.385 1121 N N 4.327 123.052 118.700 0.042 0.000 2.299 1121 N HA 0.005 4.745 4.740 -0.000 0.000 0.187 1121 N C -0.536 175.153 175.510 0.298 0.000 1.099 1121 N CA 0.156 53.317 53.050 0.185 0.000 0.867 1121 N CB 0.192 38.825 38.487 0.245 0.000 0.974 1121 N HN 0.401 nan 8.380 nan 0.000 0.477 1122 F N 2.238 122.084 119.950 -0.174 0.000 2.404 1122 F HA 0.430 4.957 4.527 -0.000 0.000 0.339 1122 F C 1.047 176.677 175.800 -0.283 0.000 1.105 1122 F CA -1.292 56.580 58.000 -0.214 0.000 1.087 1122 F CB 1.211 40.107 39.000 -0.172 0.000 1.143 1122 F HN -0.135 nan 8.300 nan 0.000 0.491 1123 R N 3.124 123.426 120.500 -0.331 0.000 2.771 1123 R HA 0.723 5.063 4.340 -0.000 0.000 0.274 1123 R C -2.295 173.722 176.300 -0.472 0.000 0.987 1123 R CA -1.097 54.762 56.100 -0.401 0.000 0.908 1123 R CB 2.124 32.120 30.300 -0.507 0.000 1.213 1123 R HN 0.649 nan 8.270 nan 0.000 0.468 1124 L N 0.674 121.746 121.223 -0.251 0.000 2.341 1124 L HA 0.665 5.005 4.340 -0.000 0.000 0.278 1124 L C -0.568 176.231 176.870 -0.118 0.000 1.005 1124 L CA -0.081 54.648 54.840 -0.184 0.000 0.818 1124 L CB 2.105 44.066 42.059 -0.164 0.000 1.259 1124 L HN 0.916 nan 8.230 nan 0.000 0.418 1125 G N 6.087 114.784 108.800 -0.171 0.000 2.370 1125 G HA2 0.585 4.545 3.960 -0.000 0.000 0.317 1125 G HA3 0.585 4.545 3.960 -0.000 0.000 0.317 1125 G C -0.845 173.579 174.900 -0.792 0.000 1.162 1125 G CA -0.363 44.433 45.100 -0.506 0.000 0.922 1125 G HN 0.577 nan 8.290 nan 0.000 0.454 1126 I N 3.188 123.486 120.570 -0.453 0.000 2.405 1126 I HA 0.355 4.525 4.170 -0.000 0.000 0.280 1126 I C -0.504 175.609 176.117 -0.007 0.000 1.027 1126 I CA -0.370 60.782 61.300 -0.247 0.000 1.161 1126 I CB 0.674 38.621 38.000 -0.087 0.000 1.300 1126 I HN 0.326 nan 8.210 nan 0.000 0.463 1127 F N 4.658 124.594 119.950 -0.023 0.000 2.509 1127 F HA 0.680 5.207 4.527 -0.000 0.000 0.334 1127 F C 0.395 176.044 175.800 -0.251 0.000 1.060 1127 F CA -1.154 56.714 58.000 -0.219 0.000 0.997 1127 F CB 1.851 40.712 39.000 -0.233 0.000 1.271 1127 F HN 0.282 nan 8.300 nan 0.000 0.488 1128 R N 0.877 121.163 120.500 -0.357 0.000 2.510 1128 R HA 0.273 4.613 4.340 -0.000 0.000 0.287 1128 R C -1.619 174.305 176.300 -0.627 0.000 1.084 1128 R CA -0.351 55.499 56.100 -0.417 0.000 0.934 1128 R CB 2.099 32.161 30.300 -0.397 0.000 1.201 1128 R HN 0.691 nan 8.270 nan 0.000 0.431 1129 S N 2.430 117.883 115.700 -0.413 0.000 2.480 1129 S HA 0.336 4.806 4.470 -0.000 0.000 0.286 1129 S C -0.999 173.337 174.600 -0.440 0.000 1.180 1129 S CA -0.590 57.362 58.200 -0.414 0.000 1.075 1129 S CB 0.869 63.964 63.200 -0.175 0.000 0.996 1129 S HN 0.493 nan 8.310 nan 0.000 0.487 1130 D N 3.408 123.483 120.400 -0.542 0.000 2.308 1130 D HA 0.393 5.033 4.640 -0.000 0.000 0.242 1130 D C -1.168 174.856 176.300 -0.460 0.000 1.059 1130 D CA 0.071 53.854 54.000 -0.362 0.000 0.830 1130 D CB 1.088 41.749 40.800 -0.231 0.000 1.161 1130 D HN 0.489 nan 8.370 nan 0.000 0.494 1131 Y N 0.411 120.696 120.300 -0.025 0.000 2.536 1131 Y HA 0.507 5.057 4.550 -0.000 0.000 0.347 1131 Y C 0.149 176.057 175.900 0.014 0.000 1.000 1131 Y CA -0.989 57.114 58.100 0.005 0.000 1.051 1131 Y CB 1.780 40.251 38.460 0.018 0.000 1.259 1131 Y HN 0.079 nan 8.280 nan 0.000 0.468 1132 L N 3.402 124.743 121.223 0.196 0.000 2.331 1132 L HA 0.480 4.820 4.340 -0.000 0.000 0.275 1132 L C -0.811 176.133 176.870 0.123 0.000 1.022 1132 L CA -1.049 53.865 54.840 0.122 0.000 0.812 1132 L CB 1.360 43.468 42.059 0.082 0.000 1.257 1132 L HN 0.481 nan 8.230 nan 0.000 0.435 1133 I N 1.861 122.486 120.570 0.091 0.000 2.291 1133 I HA 0.098 4.268 4.170 -0.000 0.000 0.292 1133 I C -0.108 176.045 176.117 0.061 0.000 1.064 1133 I CA -0.175 61.169 61.300 0.072 0.000 1.269 1133 I CB 0.493 38.536 38.000 0.072 0.000 1.418 1133 I HN 0.513 nan 8.210 nan 0.000 0.485 1134 D N 6.209 126.642 120.400 0.055 0.000 2.312 1134 D HA 0.331 4.971 4.640 -0.000 0.000 0.252 1134 D C 0.387 176.706 176.300 0.031 0.000 1.150 1134 D CA -0.052 53.972 54.000 0.041 0.000 0.870 1134 D CB 0.836 41.659 40.800 0.040 0.000 1.153 1134 D HN 0.574 nan 8.370 nan 0.000 0.457 1135 K N 3.782 124.198 120.400 0.027 0.000 2.655 1135 K HA 0.272 4.592 4.320 -0.000 0.000 0.213 1135 K C 0.037 176.643 176.600 0.011 0.000 1.126 1135 K CA -0.558 55.744 56.287 0.025 0.000 1.076 1135 K CB -0.124 32.396 32.500 0.034 0.000 1.644 1135 K HN 0.450 nan 8.250 nan 0.000 0.523 1141 Q N 2.269 122.071 119.800 0.004 0.000 2.289 1141 Q HA 0.522 4.862 4.340 -0.000 0.000 0.270 1141 Q C -1.517 174.492 176.000 0.015 0.000 1.038 1141 Q CA -0.802 55.002 55.803 0.000 0.000 0.812 1141 Q CB 1.411 30.156 28.738 0.012 0.000 1.300 1141 Q HN 0.633 nan 8.270 nan 0.000 0.427 1142 I N 0.663 121.226 120.570 -0.012 0.000 2.496 1142 I HA 0.527 4.697 4.170 -0.000 0.000 0.285 1142 I C -0.547 175.658 176.117 0.147 0.000 1.080 1142 I CA -0.478 60.830 61.300 0.014 0.000 1.404 1142 I CB 0.757 38.621 38.000 -0.225 0.000 1.403 1142 I HN 0.239 nan 8.210 nan 0.000 0.539 1143 K N 6.319 126.866 120.400 0.245 0.000 2.450 1143 K HA 0.278 4.598 4.320 -0.000 0.000 0.257 1143 K C -0.881 175.902 176.600 0.305 0.000 0.953 1143 K CA -0.514 55.928 56.287 0.259 0.000 0.844 1143 K CB 1.981 34.575 32.500 0.157 0.000 1.103 1143 K HN 0.727 nan 8.250 nan 0.000 0.429 1144 Q N 2.297 122.279 119.800 0.302 0.000 2.286 1144 Q HA 0.070 4.410 4.340 -0.000 0.000 0.267 1144 Q C 0.809 176.797 176.000 -0.021 0.000 1.028 1144 Q CA -0.054 55.712 55.803 -0.060 0.000 0.901 1144 Q CB 0.706 29.384 28.738 -0.100 0.000 1.183 1144 Q HN 0.496 nan 8.270 nan 0.000 0.392 1145 V N 0.378 120.232 119.914 -0.100 0.000 3.661 1145 V HA 0.389 4.509 4.120 -0.000 0.000 0.271 1145 V C -0.151 175.891 176.094 -0.086 0.000 1.315 1145 V CA 0.254 62.523 62.300 -0.051 0.000 1.072 1145 V CB 0.519 32.324 31.823 -0.029 0.000 0.830 1145 V HN 0.710 nan 8.190 nan 0.000 0.443 1146 E N -0.244 119.861 120.200 -0.158 0.000 2.400 1146 E HA 0.512 4.862 4.350 -0.000 0.000 0.285 1146 E C -2.081 174.396 176.600 -0.205 0.000 1.005 1146 E CA -0.467 55.843 56.400 -0.151 0.000 0.816 1146 E CB 1.889 31.502 29.700 -0.146 0.000 1.220 1146 E HN 0.141 nan 8.360 nan 0.000 0.426 1147 F N 4.158 123.909 119.950 -0.332 0.000 2.496 1147 F HA 0.547 5.074 4.527 -0.000 0.000 0.341 1147 F C -0.961 174.585 175.800 -0.423 0.000 1.134 1147 F CA -0.624 57.096 58.000 -0.467 0.000 0.968 1147 F CB 1.081 39.714 39.000 -0.611 0.000 1.205 1147 F HN 0.361 nan 8.300 nan 0.000 0.436 1148 N N 3.653 121.847 118.700 -0.844 0.000 2.426 1148 N HA 0.178 4.918 4.740 -0.000 0.000 0.275 1148 N C 0.494 175.633 175.510 -0.619 0.000 1.019 1148 N CA 0.094 52.817 53.050 -0.545 0.000 0.941 1148 N CB 1.734 39.995 38.487 -0.376 0.000 1.123 1148 N HN 0.688 nan 8.380 nan 0.000 0.486 1149 T N -2.106 112.240 114.554 -0.347 0.000 3.054 1149 T HA 0.196 4.546 4.350 -0.000 0.000 0.255 1149 T C 0.328 175.128 174.700 0.167 0.000 1.035 1149 T CA -0.232 61.776 62.100 -0.153 0.000 0.941 1149 T CB 0.070 68.820 68.868 -0.195 0.000 1.026 1149 T HN 0.255 nan 8.240 nan 0.000 0.533 1150 V N 0.458 120.405 119.914 0.056 0.000 2.932 1150 V HA 0.655 4.775 4.120 -0.000 0.000 0.307 1150 V C -0.082 175.993 176.094 -0.032 0.000 1.147 1150 V CA -0.055 62.298 62.300 0.089 0.000 0.951 1150 V CB 1.706 33.609 31.823 0.132 0.000 1.031 1150 V HN 0.480 nan 8.190 nan 0.000 0.426 1151 S N 3.490 119.186 115.700 -0.008 0.000 3.378 1151 S HA -0.143 4.327 4.470 -0.000 0.000 0.365 1151 S C -0.154 174.309 174.600 -0.228 0.000 0.951 1151 S CA 0.744 58.861 58.200 -0.139 0.000 1.274 1151 S CB -1.343 61.779 63.200 -0.130 0.000 0.915 1151 S HN 2.165 nan 8.310 nan 0.000 0.513 1152 V N 1.092 120.952 119.914 -0.090 0.000 2.686 1152 V HA 0.781 4.901 4.120 -0.000 0.000 0.295 1152 V C 0.796 176.867 176.094 -0.039 0.000 1.055 1152 V CA -0.214 62.050 62.300 -0.060 0.000 1.050 1152 V CB 1.605 33.467 31.823 0.064 0.000 0.984 1152 V HN 0.534 nan 8.190 nan 0.000 0.482 1153 S N 2.525 118.180 115.700 -0.074 0.000 2.747 1153 S HA 0.806 5.276 4.470 -0.000 0.000 0.300 1153 S C -0.239 174.369 174.600 0.014 0.000 1.121 1153 S CA -0.272 57.776 58.200 -0.255 0.000 0.995 1153 S CB 0.770 63.520 63.200 -0.749 0.000 1.113 1153 S HN 1.039 nan 8.310 nan 0.000 0.547 1154 F N -1.335 118.672 119.950 0.095 0.000 2.794 1154 F HA -0.272 4.255 4.527 -0.000 0.000 0.335 1154 F C 1.682 177.536 175.800 0.089 0.000 0.653 1154 F CA 0.278 58.343 58.000 0.108 0.000 1.266 1154 F CB -2.160 36.918 39.000 0.129 0.000 1.666 1154 F HN 0.598 nan 8.300 nan 0.000 0.314 1155 A N 0.285 123.110 122.820 0.009 0.000 1.978 1155 A HA 0.092 4.412 4.320 -0.000 0.000 0.220 1155 A C 2.456 179.991 177.584 -0.080 0.000 1.170 1155 A CA 2.224 54.066 52.037 -0.327 0.000 0.636 1155 A CB -1.079 17.529 19.000 -0.654 0.000 0.810 1155 A HN 0.652 nan 8.150 nan 0.000 0.448 1156 G N -0.442 108.359 108.800 0.001 0.000 2.404 1156 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.213 1156 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.213 1156 G C 1.481 176.441 174.900 0.100 0.000 1.189 1156 G CA 0.778 45.906 45.100 0.047 0.000 0.796 1156 G HN 0.405 nan 8.290 nan 0.000 0.532 1157 L N 1.083 122.400 121.223 0.156 0.000 2.201 1157 L HA -0.042 4.298 4.340 -0.000 0.000 0.212 1157 L C 3.044 180.001 176.870 0.144 0.000 1.105 1157 L CA 0.989 55.932 54.840 0.170 0.000 0.775 1157 L CB -0.357 41.849 42.059 0.245 0.000 0.913 1157 L HN 0.362 nan 8.230 nan 0.000 0.440 1158 S N 0.349 116.150 115.700 0.167 0.000 2.359 1158 S HA -0.231 4.239 4.470 -0.000 0.000 0.224 1158 S C 1.811 176.475 174.600 0.107 0.000 1.035 1158 S CA 1.672 59.960 58.200 0.147 0.000 1.018 1158 S CB -0.073 63.262 63.200 0.226 0.000 0.876 1158 S HN 0.490 nan 8.310 nan 0.000 0.448 1159 E N 0.615 120.879 120.200 0.106 0.000 2.077 1159 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 1159 E C 2.285 178.949 176.600 0.107 0.000 0.989 1159 E CA 1.164 57.624 56.400 0.100 0.000 0.800 1159 E CB -0.126 29.632 29.700 0.096 0.000 0.746 1159 E HN 0.574 nan 8.360 nan 0.000 0.452 1160 K N 0.548 121.026 120.400 0.130 0.000 2.097 1160 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 1160 K C 2.217 178.883 176.600 0.109 0.000 1.050 1160 K CA 1.021 57.438 56.287 0.218 0.000 0.938 1160 K CB -0.020 32.616 32.500 0.227 0.000 0.718 1160 K HN -0.014 nan 8.250 nan 0.000 0.442 1161 V N 2.088 121.993 119.914 -0.015 0.000 2.427 1161 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 1161 V C 1.549 177.425 176.094 -0.365 0.000 1.051 1161 V CA 1.788 63.949 62.300 -0.232 0.000 1.048 1161 V CB -0.459 31.239 31.823 -0.209 0.000 0.666 1161 V HN 0.238 nan 8.190 nan 0.000 0.456 1162 D N 0.295 120.605 120.400 -0.151 0.000 2.097 1162 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 1162 D C 2.434 178.675 176.300 -0.098 0.000 0.989 1162 D CA 1.282 55.228 54.000 -0.090 0.000 0.827 1162 D CB -0.262 40.544 40.800 0.011 0.000 0.966 1162 D HN 0.354 nan 8.370 nan 0.000 0.456 1163 R N -0.104 120.357 120.500 -0.064 0.000 2.148 1163 R HA -0.060 4.280 4.340 -0.000 0.000 0.227 1163 R C 2.177 178.241 176.300 -0.392 0.000 1.103 1163 R CA 0.297 56.370 56.100 -0.046 0.000 0.983 1163 R CB -0.275 30.137 30.300 0.186 0.000 0.874 1163 R HN 0.153 nan 8.270 nan 0.000 0.451 1164 L N 0.259 121.007 121.223 -0.790 0.000 1.976 1164 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 1164 L C 1.804 178.350 176.870 -0.540 0.000 1.071 1164 L CA 1.939 55.988 54.840 -1.318 0.000 0.746 1164 L CB -0.677 40.805 42.059 -0.961 0.000 0.890 1164 L HN 0.187 nan 8.230 nan 0.000 0.432 1165 H N -1.574 117.317 119.070 -0.298 0.000 2.387 1165 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 1165 H C 2.432 177.717 175.328 -0.072 0.000 1.099 1165 H CA 1.080 57.066 56.048 -0.105 0.000 1.315 1165 H CB -0.021 29.749 29.762 0.012 0.000 1.380 1165 H HN 0.506 nan 8.280 nan 0.000 0.513 1166 S N 0.185 115.909 115.700 0.039 0.000 2.368 1166 S HA -0.241 4.229 4.470 -0.000 0.000 0.225 1166 S C 2.078 176.666 174.600 -0.019 0.000 1.030 1166 S CA 1.293 59.517 58.200 0.040 0.000 0.999 1166 S CB -0.475 62.748 63.200 0.039 0.000 0.844 1166 S HN 0.503 nan 8.310 nan 0.000 0.459 1167 Y N 2.098 122.270 120.300 -0.212 0.000 2.097 1167 Y HA -0.108 4.442 4.550 -0.000 0.000 0.282 1167 Y C 1.941 177.682 175.900 -0.264 0.000 1.152 1167 Y CA 1.978 59.944 58.100 -0.224 0.000 1.136 1167 Y CB -0.647 37.571 38.460 -0.405 0.000 0.975 1167 Y HN 0.266 nan 8.280 nan 0.000 0.498 1168 L N 0.310 121.233 121.223 -0.500 0.000 2.127 1168 L HA -0.261 4.079 4.340 -0.000 0.000 0.211 1168 L C 2.284 178.693 176.870 -0.769 0.000 1.089 1168 L CA 1.791 56.154 54.840 -0.795 0.000 0.757 1168 L CB -0.721 40.669 42.059 -1.114 0.000 0.899 1168 L HN 0.333 nan 8.230 nan 0.000 0.434 1169 N N 0.458 118.921 118.700 -0.396 0.000 2.109 1169 N HA -0.129 4.611 4.740 -0.000 0.000 0.188 1169 N C 1.928 177.395 175.510 -0.072 0.000 1.034 1169 N CA 1.256 54.321 53.050 0.025 0.000 0.846 1169 N CB 0.039 38.722 38.487 0.327 0.000 1.010 1169 N HN 0.080 nan 8.380 nan 0.000 0.425 1170 R N -0.549 119.880 120.500 -0.117 0.000 2.189 1170 R HA 0.136 4.476 4.340 -0.000 0.000 0.218 1170 R C 0.974 177.166 176.300 -0.181 0.000 1.074 1170 R CA 0.976 57.013 56.100 -0.104 0.000 0.991 1170 R CB -0.002 30.268 30.300 -0.051 0.000 0.883 1170 R HN 0.205 nan 8.270 nan 0.000 0.457 1171 A N 0.882 123.481 122.820 -0.368 0.000 2.423 1171 A HA 0.114 4.434 4.320 -0.000 0.000 0.246 1171 A C -0.253 177.168 177.584 -0.271 0.000 1.278 1171 A CA -0.436 51.371 52.037 -0.384 0.000 0.903 1171 A CB 0.120 18.636 19.000 -0.807 0.000 0.997 1171 A HN 0.276 nan 8.150 nan 0.000 0.510 1172 N N -0.279 118.298 118.700 -0.205 0.000 2.740 1172 N HA -0.131 4.609 4.740 -0.000 0.000 0.248 1172 N C 0.558 175.990 175.510 -0.130 0.000 1.062 1172 N CA 1.149 54.125 53.050 -0.124 0.000 0.704 1172 N CB -0.681 37.760 38.487 -0.077 0.000 0.968 1172 N HN 0.504 nan 8.380 nan 0.000 0.547 1173 K N -0.882 119.389 120.400 -0.215 0.000 2.308 1173 K HA 0.169 4.489 4.320 -0.000 0.000 0.197 1173 K C 1.678 178.234 176.600 -0.073 0.000 1.049 1173 K CA 0.566 56.745 56.287 -0.180 0.000 0.991 1173 K CB 0.002 32.333 32.500 -0.282 0.000 0.836 1173 K HN 0.519 nan 8.250 nan 0.000 0.500 1174 Y N 0.708 120.969 120.300 -0.065 0.000 2.314 1174 Y HA -0.078 4.472 4.550 -0.000 0.000 0.293 1174 Y C 0.478 176.362 175.900 -0.027 0.000 1.129 1174 Y CA 0.272 58.359 58.100 -0.022 0.000 1.201 1174 Y CB 0.550 38.997 38.460 -0.023 0.000 0.999 1174 Y HN -0.026 nan 8.280 nan 0.000 0.541 1175 D N -1.277 119.185 120.400 0.104 0.000 2.891 1175 D HA 0.111 4.751 4.640 -0.000 0.000 0.224 1175 D C -2.380 173.920 176.300 0.001 0.000 1.321 1175 D CA -2.127 51.894 54.000 0.035 0.000 0.929 1175 D CB 1.976 42.778 40.800 0.003 0.000 1.551 1175 D HN -0.186 nan 8.370 nan 0.000 0.574 1176 P HA -0.110 nan 4.420 nan 0.000 0.225 1176 P C 0.803 178.093 177.300 -0.017 0.000 1.148 1176 P CA 0.548 63.640 63.100 -0.014 0.000 0.779 1176 P CB 0.593 32.288 31.700 -0.007 0.000 0.780 1177 K N -0.527 119.863 120.400 -0.016 0.000 2.314 1177 K HA 0.264 4.584 4.320 -0.000 0.000 0.198 1177 K C 1.417 178.005 176.600 -0.020 0.000 1.045 1177 K CA 0.657 56.934 56.287 -0.018 0.000 0.988 1177 K CB 0.319 32.807 32.500 -0.019 0.000 0.783 1177 K HN 0.264 nan 8.250 nan 0.000 0.484 1178 G N 1.471 110.258 108.800 -0.023 0.000 2.337 1178 G HA2 0.072 4.032 3.960 -0.000 0.000 0.298 1178 G HA3 0.072 4.032 3.960 -0.000 0.000 0.298 1178 G C -3.206 171.682 174.900 -0.020 0.000 1.335 1178 G CA -1.026 44.060 45.100 -0.023 0.000 0.875 1178 G HN -0.260 nan 8.290 nan 0.000 0.579 1179 P HA 0.259 nan 4.420 nan 0.000 0.271 1179 P C 1.011 178.286 177.300 -0.042 0.000 1.216 1179 P CA -0.152 62.953 63.100 0.009 0.000 0.776 1179 P CB 0.915 32.636 31.700 0.034 0.000 0.881 1180 I N -0.940 119.554 120.570 -0.127 0.000 3.883 1180 I HA 0.244 4.414 4.170 -0.000 0.000 0.326 1180 I C -0.207 175.644 176.117 -0.444 0.000 1.283 1180 I CA -0.172 60.922 61.300 -0.344 0.000 1.161 1180 I CB -0.273 37.391 38.000 -0.560 0.000 1.012 1180 I HN 0.091 nan 8.210 nan 0.000 0.421 1181 Y N 0.759 121.075 120.300 0.026 0.000 2.536 1181 Y HA 0.425 4.975 4.550 -0.000 0.000 0.347 1181 Y C -0.008 175.902 175.900 0.017 0.000 1.000 1181 Y CA -1.283 56.824 58.100 0.012 0.000 1.051 1181 Y CB 0.971 39.447 38.460 0.027 0.000 1.259 1181 Y HN -0.089 nan 8.280 nan 0.000 0.468 1182 N N 2.372 121.190 118.700 0.196 0.000 2.402 1182 N HA 0.000 4.740 4.740 -0.000 0.000 0.252 1182 N C 0.343 175.909 175.510 0.093 0.000 1.118 1182 N CA 0.276 53.389 53.050 0.106 0.000 0.945 1182 N CB 0.472 39.003 38.487 0.074 0.000 1.147 1182 N HN 0.693 nan 8.380 nan 0.000 0.495 1183 D N 2.691 123.141 120.400 0.083 0.000 2.239 1183 D HA -0.215 4.425 4.640 -0.000 0.000 0.202 1183 D C 0.868 177.188 176.300 0.034 0.000 0.993 1183 D CA 1.370 55.407 54.000 0.062 0.000 0.874 1183 D CB 0.349 41.181 40.800 0.053 0.000 0.922 1183 D HN 0.704 nan 8.370 nan 0.000 0.464 1184 Q N -0.141 119.677 119.800 0.030 0.000 2.364 1184 Q HA -0.044 4.296 4.340 -0.000 0.000 0.207 1184 Q C 1.206 177.204 176.000 -0.003 0.000 0.970 1184 Q CA 0.602 56.414 55.803 0.016 0.000 0.888 1184 Q CB 0.224 28.973 28.738 0.019 0.000 0.951 1184 Q HN 0.189 nan 8.270 nan 0.000 0.469 1185 N N -0.818 117.879 118.700 -0.004 0.000 2.299 1185 N HA 0.096 4.836 4.740 -0.000 0.000 0.187 1185 N C -0.337 175.121 175.510 -0.088 0.000 1.099 1185 N CA 0.337 53.364 53.050 -0.039 0.000 0.867 1185 N CB 0.502 38.985 38.487 -0.007 0.000 0.974 1185 N HN 0.231 nan 8.380 nan 0.000 0.477 1186 M N 1.407 120.967 119.600 -0.066 0.000 2.108 1186 M HA 0.192 4.672 4.480 -0.000 0.000 0.347 1186 M C -0.350 175.902 176.300 -0.081 0.000 1.326 1186 M CA -0.321 54.927 55.300 -0.087 0.000 1.126 1186 M CB 1.534 34.109 32.600 -0.040 0.000 1.606 1186 M HN -0.326 nan 8.290 nan 0.000 0.462 1187 V N 5.877 125.710 119.914 -0.136 0.000 2.572 1187 V HA 0.171 4.291 4.120 -0.000 0.000 0.291 1187 V C 0.249 176.336 176.094 -0.012 0.000 1.039 1187 V CA 0.223 62.450 62.300 -0.122 0.000 1.055 1187 V CB 0.504 32.161 31.823 -0.277 0.000 0.969 1187 V HN 0.668 nan 8.190 nan 0.000 0.482 1188 I N 4.550 125.144 120.570 0.040 0.000 2.464 1188 I HA 0.223 4.393 4.170 -0.000 0.000 0.277 1188 I C 0.455 176.642 176.117 0.116 0.000 1.040 1188 I CA 0.009 61.350 61.300 0.068 0.000 1.153 1188 I CB 1.515 39.550 38.000 0.058 0.000 1.274 1188 I HN 0.664 nan 8.210 nan 0.000 0.469 1189 S N 3.829 119.614 115.700 0.142 0.000 2.572 1189 S HA 0.125 4.595 4.470 -0.000 0.000 0.279 1189 S C 0.455 175.140 174.600 0.140 0.000 1.341 1189 S CA -0.034 58.276 58.200 0.185 0.000 1.043 1189 S CB 0.576 63.904 63.200 0.212 0.000 0.887 1189 S HN 0.529 nan 8.310 nan 0.000 0.516 1190 D N 1.899 122.385 120.400 0.142 0.000 2.538 1190 D HA 0.127 4.767 4.640 -0.000 0.000 0.231 1190 D C 1.555 177.918 176.300 0.106 0.000 1.229 1190 D CA 0.234 54.312 54.000 0.129 0.000 0.828 1190 D CB 0.228 41.114 40.800 0.144 0.000 1.035 1190 D HN 0.625 nan 8.370 nan 0.000 0.495 1191 S N -0.275 115.445 115.700 0.033 0.000 2.402 1191 S HA -0.179 4.291 4.470 -0.000 0.000 0.233 1191 S C 2.148 176.652 174.600 -0.159 0.000 1.030 1191 S CA 1.393 59.516 58.200 -0.129 0.000 1.003 1191 S CB -0.636 62.419 63.200 -0.241 0.000 0.813 1191 S HN 0.280 nan 8.310 nan 0.000 0.477 1192 G N 0.278 109.052 108.800 -0.044 0.000 2.404 1192 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.215 1192 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.215 1192 G C 1.280 176.202 174.900 0.037 0.000 1.174 1192 G CA 0.839 45.928 45.100 -0.018 0.000 0.780 1192 G HN 0.617 nan 8.290 nan 0.000 0.537 1193 Y N 1.109 121.405 120.300 -0.008 0.000 2.200 1193 Y HA 0.071 4.621 4.550 -0.000 0.000 0.290 1193 Y C 2.519 178.441 175.900 0.037 0.000 1.137 1193 Y CA 1.201 59.332 58.100 0.053 0.000 1.163 1193 Y CB -0.194 38.304 38.460 0.062 0.000 0.988 1193 Y HN 0.086 nan 8.280 nan 0.000 0.518 1194 L N -0.713 120.513 121.223 0.005 0.000 2.141 1194 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 1194 L C 2.240 178.954 176.870 -0.259 0.000 1.094 1194 L CA 0.778 55.537 54.840 -0.136 0.000 0.763 1194 L CB -0.557 41.465 42.059 -0.063 0.000 0.908 1194 L HN 0.271 nan 8.230 nan 0.000 0.437 1195 L N -0.815 120.252 121.223 -0.260 0.000 2.093 1195 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 1195 L C 2.639 179.288 176.870 -0.370 0.000 1.085 1195 L CA 1.400 56.050 54.840 -0.318 0.000 0.755 1195 L CB -0.395 41.469 42.059 -0.326 0.000 0.904 1195 L HN 0.094 nan 8.230 nan 0.000 0.435 1196 S N -0.882 114.631 115.700 -0.313 0.000 2.383 1196 S HA -0.211 4.259 4.470 -0.000 0.000 0.227 1196 S C 1.960 176.192 174.600 -0.614 0.000 1.026 1196 S CA 1.196 59.206 58.200 -0.316 0.000 0.981 1196 S CB -0.180 62.970 63.200 -0.083 0.000 0.818 1196 S HN 0.372 nan 8.310 nan 0.000 0.472 1197 K N 1.506 121.468 120.400 -0.730 0.000 2.097 1197 K HA -0.005 4.315 4.320 -0.000 0.000 0.205 1197 K C 2.179 178.371 176.600 -0.679 0.000 1.050 1197 K CA 1.067 56.729 56.287 -1.041 0.000 0.938 1197 K CB -0.309 31.819 32.500 -0.619 0.000 0.718 1197 K HN 0.287 nan 8.250 nan 0.000 0.442 1198 A N 1.296 123.834 122.820 -0.471 0.000 1.902 1198 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 1198 A C 2.092 179.449 177.584 -0.379 0.000 1.181 1198 A CA 1.210 53.034 52.037 -0.356 0.000 0.623 1198 A CB -0.555 18.261 19.000 -0.306 0.000 0.818 1198 A HN 0.312 nan 8.150 nan 0.000 0.443 1199 L N -0.867 120.084 121.223 -0.455 0.000 2.056 1199 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 1199 L C 3.117 179.763 176.870 -0.374 0.000 1.078 1199 L CA 1.030 55.608 54.840 -0.435 0.000 0.749 1199 L CB -0.533 41.218 42.059 -0.514 0.000 0.901 1199 L HN 0.433 nan 8.230 nan 0.000 0.433 1200 A N 0.281 122.810 122.820 -0.484 0.000 1.902 1200 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 1200 A C 2.343 179.743 177.584 -0.308 0.000 1.181 1200 A CA 2.111 53.887 52.037 -0.436 0.000 0.623 1200 A CB -0.460 18.030 19.000 -0.850 0.000 0.818 1200 A HN 0.346 nan 8.150 nan 0.000 0.443 1201 K N -0.169 120.029 120.400 -0.335 0.000 2.097 1201 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 1201 K C 2.030 178.558 176.600 -0.120 0.000 1.049 1201 K CA 1.391 57.563 56.287 -0.191 0.000 0.933 1201 K CB -0.364 32.029 32.500 -0.179 0.000 0.717 1201 K HN 0.337 nan 8.250 nan 0.000 0.442 1202 A N 0.434 123.162 122.820 -0.154 0.000 1.902 1202 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 1202 A C 2.237 179.784 177.584 -0.061 0.000 1.181 1202 A CA 1.610 53.588 52.037 -0.100 0.000 0.623 1202 A CB -0.637 18.269 19.000 -0.158 0.000 0.818 1202 A HN 0.165 nan 8.150 nan 0.000 0.443 1203 V N 0.380 120.230 119.914 -0.107 0.000 2.295 1203 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 1203 V C 2.572 178.685 176.094 0.031 0.000 1.049 1203 V CA 2.165 64.424 62.300 -0.068 0.000 1.024 1203 V CB -0.694 31.067 31.823 -0.102 0.000 0.648 1203 V HN 0.524 nan 8.190 nan 0.000 0.447 1204 E N 0.649 120.850 120.200 0.000 0.000 2.106 1204 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 1204 E C 2.523 179.145 176.600 0.038 0.000 0.984 1204 E CA 1.652 58.068 56.400 0.025 0.000 0.806 1204 E CB -0.512 29.193 29.700 0.008 0.000 0.750 1204 E HN 0.757 nan 8.360 nan 0.000 0.458 1205 S N 0.153 115.879 115.700 0.044 0.000 2.402 1205 S HA -0.184 4.286 4.470 -0.000 0.000 0.229 1205 S C 2.154 176.748 174.600 -0.010 0.000 1.021 1205 S CA 0.854 59.089 58.200 0.058 0.000 0.974 1205 S CB -0.626 62.669 63.200 0.157 0.000 0.800 1205 S HN 0.355 nan 8.310 nan 0.000 0.484 1206 Y N 2.501 122.735 120.300 -0.111 0.000 2.114 1206 Y HA -0.035 4.515 4.550 -0.000 0.000 0.284 1206 Y C 2.253 178.093 175.900 -0.100 0.000 1.143 1206 Y CA 1.914 59.919 58.100 -0.159 0.000 1.135 1206 Y CB -0.386 37.984 38.460 -0.150 0.000 0.980 1206 Y HN 0.165 nan 8.280 nan 0.000 0.499 1207 K N -0.378 120.064 120.400 0.069 0.000 2.147 1207 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 1207 K C 2.130 178.683 176.600 -0.078 0.000 1.049 1207 K CA 1.469 57.753 56.287 -0.005 0.000 0.936 1207 K CB -0.202 32.346 32.500 0.080 0.000 0.722 1207 K HN 0.188 nan 8.250 nan 0.000 0.446 1208 S N 1.335 116.998 115.700 -0.061 0.000 2.481 1208 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 1208 S C 1.577 176.118 174.600 -0.098 0.000 0.996 1208 S CA 0.771 58.938 58.200 -0.055 0.000 0.942 1208 S CB -0.062 63.128 63.200 -0.017 0.000 0.768 1208 S HN 0.321 nan 8.310 nan 0.000 0.520 1209 Q N 0.341 120.031 119.800 -0.183 0.000 2.170 1209 Q HA 0.001 4.341 4.340 -0.000 0.000 0.203 1209 Q C 0.955 176.871 176.000 -0.139 0.000 0.976 1209 Q CA 0.804 56.484 55.803 -0.204 0.000 0.858 1209 Q CB 0.100 28.655 28.738 -0.304 0.000 0.907 1209 Q HN 0.490 nan 8.270 nan 0.000 0.433 1210 Q N 0.431 120.147 119.800 -0.140 0.000 2.280 1210 Q HA 0.222 4.562 4.340 -0.000 0.000 0.259 1210 Q C -1.343 174.609 176.000 -0.080 0.000 0.964 1210 Q CA -0.411 55.330 55.803 -0.103 0.000 0.844 1210 Q CB 1.724 30.389 28.738 -0.123 0.000 1.334 1210 Q HN 0.148 nan 8.270 nan 0.000 0.423 1211 S N 1.899 117.569 115.700 -0.050 0.000 2.669 1211 S HA 0.831 5.301 4.470 -0.000 0.000 0.270 1211 S C -0.230 174.357 174.600 -0.022 0.000 1.225 1211 S CA -0.117 58.066 58.200 -0.029 0.000 0.991 1211 S CB 1.510 64.699 63.200 -0.017 0.000 0.987 1211 S HN 0.719 nan 8.310 nan 0.000 0.552 1212 S N -0.535 115.160 115.700 -0.008 0.000 2.549 1212 S HA 0.493 4.963 4.470 -0.000 0.000 0.280 1212 S C 0.157 174.760 174.600 0.004 0.000 1.109 1212 S CA -0.589 57.610 58.200 -0.000 0.000 0.905 1212 S CB 1.414 64.620 63.200 0.010 0.000 1.081 1212 S HN 0.740 nan 8.310 nan 0.000 0.477 1213 S N 1.047 116.749 115.700 0.004 0.000 2.607 1213 S HA 0.283 4.753 4.470 -0.000 0.000 0.224 1213 S C 0.735 175.341 174.600 0.010 0.000 0.969 1213 S CA 0.871 59.074 58.200 0.006 0.000 0.927 1213 S CB -1.211 61.991 63.200 0.004 0.000 0.772 1213 S HN 1.202 nan 8.310 nan 0.000 0.533 1214 T N 0.576 115.138 114.554 0.014 0.000 2.848 1214 T HA 0.639 4.989 4.350 -0.000 0.000 0.285 1214 T C 0.088 174.802 174.700 0.025 0.000 0.995 1214 T CA -0.104 62.006 62.100 0.018 0.000 0.970 1214 T CB 0.861 69.740 68.868 0.018 0.000 0.976 1214 T HN 0.228 nan 8.240 nan 0.000 0.441 1215 T N 1.417 115.986 114.554 0.025 0.000 2.723 1215 T HA 0.406 4.756 4.350 -0.000 0.000 0.260 1215 T C 0.608 175.333 174.700 0.041 0.000 1.019 1215 T CA 1.313 63.432 62.100 0.030 0.000 1.155 1215 T CB -0.401 68.484 68.868 0.028 0.000 1.024 1215 T HN 1.062 nan 8.240 nan 0.000 0.491 1216 S N 1.800 117.528 115.700 0.047 0.000 2.500 1216 S HA 0.551 5.021 4.470 -0.000 0.000 0.301 1216 S C -1.147 173.490 174.600 0.061 0.000 1.092 1216 S CA -0.638 57.601 58.200 0.064 0.000 1.030 1216 S CB 1.475 64.717 63.200 0.070 0.000 1.031 1216 S HN 0.751 nan 8.310 nan 0.000 0.483 1217 D N 4.118 124.557 120.400 0.064 0.000 2.656 1217 D HA 0.385 5.024 4.640 -0.000 0.000 0.303 1217 D C -2.372 173.950 176.300 0.036 0.000 1.199 1217 D CA -1.373 52.656 54.000 0.048 0.000 0.797 1217 D CB 0.894 41.718 40.800 0.041 0.000 1.170 1217 D HN 0.338 nan 8.370 nan 0.000 0.509 1218 P HA 0.212 nan 4.420 nan 0.000 0.270 1218 P C 0.214 177.471 177.300 -0.072 0.000 1.223 1218 P CA -0.371 62.705 63.100 -0.039 0.000 0.785 1218 P CB 1.226 32.895 31.700 -0.051 0.000 0.923 1219 I N -1.939 118.563 120.570 -0.113 0.000 3.237 1219 I HA 0.620 4.790 4.170 -0.000 0.000 0.308 1219 I C -0.730 175.316 176.117 -0.119 0.000 1.093 1219 I CA -1.533 59.718 61.300 -0.082 0.000 1.001 1219 I CB 1.875 39.851 38.000 -0.039 0.000 1.245 1219 I HN -0.054 nan 8.210 nan 0.000 0.485 1220 V N 2.135 122.023 119.914 -0.043 0.000 2.427 1220 V HA 0.657 4.777 4.120 -0.000 0.000 0.286 1220 V C 0.350 176.490 176.094 0.076 0.000 1.034 1220 V CA -0.423 61.859 62.300 -0.029 0.000 0.893 1220 V CB 1.217 33.060 31.823 0.033 0.000 0.982 1220 V HN 0.864 nan 8.190 nan 0.000 0.452 1221 A N 5.180 127.999 122.820 -0.002 0.000 2.271 1221 A HA 0.785 5.105 4.320 -0.000 0.000 0.317 1221 A C -0.886 176.742 177.584 0.073 0.000 1.245 1221 A CA -0.324 51.740 52.037 0.044 0.000 0.857 1221 A CB 0.142 19.104 19.000 -0.064 0.000 1.175 1221 A HN 0.580 nan 8.150 nan 0.000 0.512 1222 F N 3.384 123.273 119.950 -0.102 0.000 2.404 1222 F HA 0.337 4.864 4.527 -0.000 0.000 0.358 1222 F C 0.337 176.000 175.800 -0.228 0.000 1.120 1222 F CA -0.896 57.021 58.000 -0.138 0.000 1.144 1222 F CB 1.137 40.083 39.000 -0.089 0.000 1.133 1222 F HN 0.329 nan 8.300 nan 0.000 0.495 1223 I N 6.107 126.548 120.570 -0.216 0.000 2.291 1223 I HA 0.251 4.421 4.170 -0.000 0.000 0.290 1223 I C -0.017 175.927 176.117 -0.288 0.000 1.050 1223 I CA -0.538 60.587 61.300 -0.292 0.000 1.245 1223 I CB 0.349 38.122 38.000 -0.379 0.000 1.405 1223 I HN 0.272 nan 8.210 nan 0.000 0.478 1224 V N 3.780 123.540 119.914 -0.255 0.000 2.919 1224 V HA 0.544 4.664 4.120 -0.000 0.000 0.316 1224 V C -0.062 175.887 176.094 -0.242 0.000 1.077 1224 V CA -0.999 61.175 62.300 -0.208 0.000 0.977 1224 V CB 1.923 33.676 31.823 -0.116 0.000 1.039 1224 V HN 0.785 nan 8.190 nan 0.000 0.441 1225 Q N 1.599 121.295 119.800 -0.172 0.000 2.373 1225 Q HA 0.295 4.635 4.340 -0.000 0.000 0.255 1225 Q C -0.027 175.923 176.000 -0.083 0.000 0.980 1225 Q CA -0.375 55.344 55.803 -0.140 0.000 0.882 1225 Q CB 0.695 29.381 28.738 -0.085 0.000 1.249 1225 Q HN 0.776 nan 8.270 nan 0.000 0.438 1226 R N 2.838 123.299 120.500 -0.065 0.000 2.643 1226 R HA 0.022 4.362 4.340 -0.000 0.000 0.270 1226 R C 0.096 176.407 176.300 0.019 0.000 1.061 1226 R CA -0.155 55.929 56.100 -0.028 0.000 1.107 1226 R CB 0.214 30.496 30.300 -0.029 0.000 0.999 1226 R HN 0.791 nan 8.270 nan 0.000 0.460 1227 N N 1.297 120.036 118.700 0.065 0.000 2.727 1227 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 1227 N C -0.684 175.026 175.510 0.334 0.000 1.048 1227 N CA 1.012 54.177 53.050 0.192 0.000 0.714 1227 N CB -0.846 37.646 38.487 0.008 0.000 0.959 1227 N HN 0.598 nan 8.380 nan 0.000 0.544 1228 E N 0.643 120.960 120.200 0.196 0.000 2.351 1228 E HA 0.069 4.419 4.350 -0.000 0.000 0.266 1228 E C 1.144 177.722 176.600 -0.036 0.000 1.031 1228 E CA 0.199 56.633 56.400 0.057 0.000 0.911 1228 E CB 0.506 30.179 29.700 -0.045 0.000 0.986 1228 E HN 0.231 nan 8.360 nan 0.000 0.446 1229 R N 3.296 123.777 120.500 -0.031 0.000 2.173 1229 R HA 0.036 4.376 4.340 -0.000 0.000 0.208 1229 R C 0.527 176.699 176.300 -0.212 0.000 1.035 1229 R CA 0.646 56.662 56.100 -0.140 0.000 1.004 1229 R CB 0.080 30.418 30.300 0.062 0.000 0.917 1229 R HN 0.350 nan 8.270 nan 0.000 0.462 1230 N N 0.874 119.468 118.700 -0.177 0.000 2.575 1230 N HA -0.012 4.728 4.740 -0.000 0.000 0.275 1230 N C 0.847 176.164 175.510 -0.322 0.000 1.202 1230 N CA -0.076 52.856 53.050 -0.196 0.000 0.945 1230 N CB 0.570 38.971 38.487 -0.144 0.000 1.247 1230 N HN -0.059 nan 8.380 nan 0.000 0.510 1231 V N 0.047 119.618 119.914 -0.572 0.000 2.515 1231 V HA -0.133 3.987 4.120 -0.000 0.000 0.250 1231 V C 1.180 176.939 176.094 -0.559 0.000 1.058 1231 V CA 1.682 63.626 62.300 -0.593 0.000 1.064 1231 V CB -0.601 30.803 31.823 -0.698 0.000 0.675 1231 V HN 0.299 nan 8.190 nan 0.000 0.461 1232 F N 1.100 120.923 119.950 -0.211 0.000 2.293 1232 F HA -0.039 4.488 4.527 -0.000 0.000 0.300 1232 F C 2.153 177.896 175.800 -0.095 0.000 1.086 1232 F CA 1.596 59.493 58.000 -0.172 0.000 1.375 1232 F CB -1.053 37.823 39.000 -0.207 0.000 1.045 1232 F HN 0.357 nan 8.300 nan 0.000 0.516 1233 D N -0.034 120.381 120.400 0.025 0.000 2.117 1233 D HA -0.159 4.481 4.640 -0.000 0.000 0.198 1233 D C 1.958 178.262 176.300 0.007 0.000 0.982 1233 D CA 1.384 55.401 54.000 0.029 0.000 0.828 1233 D CB -0.104 40.682 40.800 -0.023 0.000 0.967 1233 D HN 0.340 nan 8.370 nan 0.000 0.464 1234 Q N -0.584 119.197 119.800 -0.030 0.000 2.123 1234 Q HA -0.095 4.245 4.340 -0.000 0.000 0.199 1234 Q C 1.996 178.010 176.000 0.024 0.000 0.966 1234 Q CA 0.890 56.726 55.803 0.054 0.000 0.845 1234 Q CB -0.008 28.750 28.738 0.033 0.000 0.907 1234 Q HN 0.053 nan 8.270 nan 0.000 0.439 1235 K N 0.656 121.019 120.400 -0.060 0.000 2.152 1235 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 1235 K C 1.792 178.375 176.600 -0.029 0.000 1.048 1235 K CA 0.809 57.047 56.287 -0.083 0.000 0.933 1235 K CB -0.331 32.149 32.500 -0.034 0.000 0.721 1235 K HN 0.009 nan 8.250 nan 0.000 0.447 1236 V N 0.935 120.860 119.914 0.018 0.000 2.392 1236 V HA -0.260 3.860 4.120 -0.000 0.000 0.249 1236 V C 2.091 178.215 176.094 0.049 0.000 1.059 1236 V CA 1.675 63.994 62.300 0.033 0.000 1.051 1236 V CB -0.426 31.423 31.823 0.045 0.000 0.658 1236 V HN 0.284 nan 8.190 nan 0.000 0.455 1237 L N -0.627 120.647 121.223 0.084 0.000 2.072 1237 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 1237 L C 2.536 179.488 176.870 0.136 0.000 1.079 1237 L CA 1.561 56.482 54.840 0.135 0.000 0.752 1237 L CB -0.739 41.480 42.059 0.266 0.000 0.906 1237 L HN 0.342 nan 8.230 nan 0.000 0.436 1238 E N 0.535 120.747 120.200 0.019 0.000 2.058 1238 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 1238 E C 2.343 178.919 176.600 -0.041 0.000 0.997 1238 E CA 1.206 57.525 56.400 -0.135 0.000 0.801 1238 E CB -0.144 29.315 29.700 -0.401 0.000 0.746 1238 E HN 0.439 nan 8.360 nan 0.000 0.450 1239 L N 1.006 122.213 121.223 -0.027 0.000 2.093 1239 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 1239 L C 2.173 179.062 176.870 0.032 0.000 1.085 1239 L CA 0.615 55.451 54.840 -0.007 0.000 0.755 1239 L CB -0.462 41.590 42.059 -0.012 0.000 0.904 1239 L HN 0.151 nan 8.230 nan 0.000 0.435 1240 N N 0.379 119.119 118.700 0.068 0.000 2.166 1240 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 1240 N C 2.008 177.624 175.510 0.177 0.000 1.019 1240 N CA 1.120 54.240 53.050 0.117 0.000 0.856 1240 N CB -0.186 38.396 38.487 0.158 0.000 0.993 1240 N HN 0.286 nan 8.380 nan 0.000 0.426 1241 L N 0.389 121.718 121.223 0.178 0.000 2.012 1241 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 1241 L C 2.352 179.324 176.870 0.170 0.000 1.073 1241 L CA 0.929 55.904 54.840 0.224 0.000 0.748 1241 L CB -0.330 41.800 42.059 0.119 0.000 0.891 1241 L HN 0.154 nan 8.230 nan 0.000 0.431 1242 L N -0.692 120.578 121.223 0.078 0.000 2.023 1242 L HA -0.149 4.191 4.340 -0.000 0.000 0.205 1242 L C 2.600 179.478 176.870 0.013 0.000 1.073 1242 L CA 1.620 56.483 54.840 0.039 0.000 0.745 1242 L CB -0.413 41.651 42.059 0.009 0.000 0.900 1242 L HN 0.135 nan 8.230 nan 0.000 0.435 1243 E N 0.019 120.216 120.200 -0.004 0.000 2.106 1243 E HA -0.147 4.202 4.350 -0.000 0.000 0.192 1243 E C 2.012 178.553 176.600 -0.098 0.000 0.984 1243 E CA 0.974 57.352 56.400 -0.037 0.000 0.806 1243 E CB -0.140 29.543 29.700 -0.028 0.000 0.750 1243 E HN 0.492 nan 8.360 nan 0.000 0.458 1244 K N -0.450 119.848 120.400 -0.171 0.000 2.276 1244 K HA 0.116 4.436 4.320 -0.000 0.000 0.198 1244 K C 1.397 177.520 176.600 -0.794 0.000 1.052 1244 K CA 0.422 56.415 56.287 -0.490 0.000 0.984 1244 K CB 0.149 32.268 32.500 -0.635 0.000 0.836 1244 K HN 0.150 nan 8.250 nan 0.000 0.490 1245 F N -0.036 119.911 119.950 -0.004 0.000 2.724 1245 F HA 0.287 4.814 4.527 -0.000 0.000 0.310 1245 F C 1.086 176.878 175.800 -0.014 0.000 1.107 1245 F CA -0.109 57.879 58.000 -0.019 0.000 1.218 1245 F CB 0.548 39.515 39.000 -0.055 0.000 1.042 1245 F HN 0.104 nan 8.300 nan 0.000 0.540 1246 G N 1.299 110.148 108.800 0.081 0.000 2.233 1246 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.270 1246 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.270 1246 G C 0.131 175.071 174.900 0.067 0.000 1.011 1246 G CA 0.762 45.897 45.100 0.057 0.000 0.762 1246 G HN 0.286 nan 8.290 nan 0.000 0.511 1247 T N 0.422 115.030 114.554 0.090 0.000 2.767 1247 T HA 0.556 4.906 4.350 -0.000 0.000 0.284 1247 T C 0.491 175.215 174.700 0.040 0.000 0.973 1247 T CA -0.415 61.720 62.100 0.058 0.000 0.996 1247 T CB 1.726 70.625 68.868 0.051 0.000 0.927 1247 T HN 0.314 nan 8.240 nan 0.000 0.456 1248 K N 1.835 122.247 120.400 0.021 0.000 2.117 1248 K HA 0.724 5.044 4.320 -0.000 0.000 0.240 1248 K C 0.265 176.871 176.600 0.011 0.000 1.031 1248 K CA -0.460 55.832 56.287 0.008 0.000 0.909 1248 K CB 0.746 33.248 32.500 0.004 0.000 1.097 1248 K HN 0.784 nan 8.250 nan 0.000 0.492 1249 S N -1.636 114.060 115.700 -0.006 0.000 2.611 1249 S HA 0.702 5.172 4.470 -0.000 0.000 0.268 1249 S C -1.384 173.193 174.600 -0.037 0.000 1.156 1249 S CA -1.026 57.181 58.200 0.012 0.000 0.817 1249 S CB 1.132 64.372 63.200 0.066 0.000 1.122 1249 S HN 0.162 nan 8.310 nan 0.000 0.466 1250 V N 0.615 120.525 119.914 -0.007 0.000 3.007 1250 V HA 0.605 4.725 4.120 -0.000 0.000 0.311 1250 V C -0.867 175.212 176.094 -0.026 0.000 1.120 1250 V CA -0.881 61.398 62.300 -0.035 0.000 0.980 1250 V CB 2.270 34.089 31.823 -0.007 0.000 1.033 1250 V HN 0.917 nan 8.190 nan 0.000 0.429 1251 R N 3.402 123.861 120.500 -0.067 0.000 2.265 1251 R HA 0.753 5.093 4.340 -0.000 0.000 0.328 1251 R C -1.437 174.839 176.300 -0.041 0.000 0.969 1251 R CA -0.403 55.663 56.100 -0.056 0.000 0.832 1251 R CB 1.100 31.334 30.300 -0.110 0.000 1.139 1251 R HN 0.506 nan 8.270 nan 0.000 0.457 1252 L N 2.080 123.276 121.223 -0.044 0.000 2.386 1252 L HA 0.481 4.821 4.340 -0.000 0.000 0.271 1252 L C 0.576 177.369 176.870 -0.128 0.000 0.993 1252 L CA -0.922 53.881 54.840 -0.062 0.000 0.819 1252 L CB 2.249 44.285 42.059 -0.039 0.000 1.294 1252 L HN 0.646 nan 8.230 nan 0.000 0.414 1253 T N -2.472 112.013 114.554 -0.115 0.000 2.862 1253 T HA 0.358 4.708 4.350 -0.000 0.000 0.276 1253 T C 0.972 175.589 174.700 -0.139 0.000 0.974 1253 T CA -0.374 61.618 62.100 -0.179 0.000 0.966 1253 T CB 0.743 69.557 68.868 -0.090 0.000 1.072 1253 T HN 0.266 nan 8.240 nan 0.000 0.538 1254 F N 0.712 120.629 119.950 -0.054 0.000 2.216 1254 F HA 0.003 4.530 4.527 -0.000 0.000 0.300 1254 F C 2.205 177.987 175.800 -0.029 0.000 1.085 1254 F CA 0.972 58.947 58.000 -0.041 0.000 1.326 1254 F CB -0.809 38.140 39.000 -0.085 0.000 1.027 1254 F HN 0.554 nan 8.300 nan 0.000 0.497 1255 D N 0.190 120.670 120.400 0.134 0.000 2.097 1255 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 1255 D C 1.885 178.209 176.300 0.042 0.000 0.989 1255 D CA 1.502 55.543 54.000 0.068 0.000 0.827 1255 D CB -0.433 40.388 40.800 0.035 0.000 0.966 1255 D HN 0.239 nan 8.370 nan 0.000 0.456 1256 D N 0.272 120.688 120.400 0.027 0.000 2.144 1256 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 1256 D C 2.316 178.633 176.300 0.029 0.000 0.984 1256 D CA 0.392 54.403 54.000 0.018 0.000 0.834 1256 D CB -0.199 40.602 40.800 0.002 0.000 0.955 1256 D HN 0.081 nan 8.370 nan 0.000 0.465 1257 V N 1.490 121.437 119.914 0.056 0.000 2.332 1257 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 1257 V C 1.945 178.017 176.094 -0.037 0.000 1.055 1257 V CA 1.771 64.118 62.300 0.078 0.000 1.038 1257 V CB -0.658 31.283 31.823 0.198 0.000 0.651 1257 V HN 0.207 nan 8.190 nan 0.000 0.450 1258 N N -0.333 118.346 118.700 -0.035 0.000 2.244 1258 N HA -0.143 4.597 4.740 -0.000 0.000 0.183 1258 N C 1.454 176.906 175.510 -0.097 0.000 1.016 1258 N CA 1.476 54.456 53.050 -0.117 0.000 0.866 1258 N CB -0.063 38.398 38.487 -0.044 0.000 0.980 1258 N HN 0.520 nan 8.380 nan 0.000 0.430 1259 D N -0.249 120.130 120.400 -0.036 0.000 2.301 1259 D HA 0.116 4.756 4.640 -0.000 0.000 0.206 1259 D C 1.449 177.754 176.300 0.009 0.000 0.979 1259 D CA 0.581 54.572 54.000 -0.015 0.000 0.874 1259 D CB 0.245 41.044 40.800 -0.001 0.000 0.968 1259 D HN 0.363 nan 8.370 nan 0.000 0.510 1260 K N -0.644 119.772 120.400 0.026 0.000 2.399 1260 K HA 0.290 4.610 4.320 -0.000 0.000 0.196 1260 K C 0.544 177.224 176.600 0.134 0.000 1.103 1260 K CA 0.030 56.359 56.287 0.069 0.000 0.986 1260 K CB 0.915 33.451 32.500 0.061 0.000 0.952 1260 K HN 0.186 nan 8.250 nan 0.000 0.541 1261 L N 1.376 122.676 121.223 0.129 0.000 2.375 1261 L HA 0.499 4.839 4.340 -0.000 0.000 0.268 1261 L C -0.449 176.651 176.870 0.384 0.000 1.058 1261 L CA -1.161 53.834 54.840 0.258 0.000 0.803 1261 L CB 0.707 42.966 42.059 0.333 0.000 1.212 1261 L HN -0.031 nan 8.230 nan 0.000 0.451 1262 F N 0.708 120.897 119.950 0.399 0.000 2.668 1262 F HA 0.710 5.237 4.527 -0.000 0.000 0.309 1262 F C -1.588 174.479 175.800 0.445 0.000 1.117 1262 F CA -1.005 57.263 58.000 0.448 0.000 0.951 1262 F CB 1.148 40.288 39.000 0.234 0.000 1.323 1262 F HN 0.159 nan 8.300 nan 0.000 0.451 1263 I N 2.648 123.304 120.570 0.143 0.000 2.474 1263 I HA 0.228 4.398 4.170 -0.000 0.000 0.294 1263 I C -0.869 175.279 176.117 0.053 0.000 1.005 1263 I CA -0.818 60.389 61.300 -0.155 0.000 1.113 1263 I CB 1.638 39.567 38.000 -0.119 0.000 1.289 1263 I HN 0.624 nan 8.210 nan 0.000 0.436 1264 D N 5.770 126.155 120.400 -0.026 0.000 2.339 1264 D HA -0.014 4.626 4.640 -0.000 0.000 0.256 1264 D C 0.586 176.941 176.300 0.092 0.000 1.214 1264 D CA -0.179 53.927 54.000 0.178 0.000 0.877 1264 D CB 1.192 42.087 40.800 0.159 0.000 1.111 1264 D HN 0.515 nan 8.370 nan 0.000 0.478 1265 D N 4.044 124.547 120.400 0.171 0.000 2.182 1265 D HA -0.221 4.419 4.640 -0.000 0.000 0.201 1265 D C 1.304 177.731 176.300 0.211 0.000 0.986 1265 D CA 1.201 55.320 54.000 0.199 0.000 0.847 1265 D CB -0.096 40.809 40.800 0.175 0.000 0.942 1265 D HN 0.452 nan 8.370 nan 0.000 0.467 1266 K N -0.504 119.968 120.400 0.120 0.000 2.155 1266 K HA -0.009 4.311 4.320 -0.000 0.000 0.203 1266 K C 1.874 178.505 176.600 0.052 0.000 1.052 1266 K CA 1.633 57.975 56.287 0.092 0.000 0.948 1266 K CB 0.020 32.546 32.500 0.043 0.000 0.728 1266 K HN 0.416 nan 8.250 nan 0.000 0.448 1267 T N -4.689 109.811 114.554 -0.089 0.000 2.959 1267 T HA 0.244 4.594 4.350 -0.000 0.000 0.254 1267 T C 1.445 175.658 174.700 -0.812 0.000 1.003 1267 T CA 0.420 62.331 62.100 -0.315 0.000 0.950 1267 T CB 0.922 69.631 68.868 -0.266 0.000 1.090 1267 T HN 0.272 nan 8.240 nan 0.000 0.503 1268 G N 2.081 110.294 108.800 -0.979 0.000 2.205 1268 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.261 1268 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.261 1268 G C 0.081 174.641 174.900 -0.567 0.000 0.980 1268 G CA 0.274 44.487 45.100 -1.477 0.000 0.632 1268 G HN 0.701 nan 8.290 nan 0.000 0.533 1269 K N -0.090 120.106 120.400 -0.340 0.000 2.485 1269 K HA 0.339 4.659 4.320 -0.000 0.000 0.277 1269 K C 0.086 176.447 176.600 -0.398 0.000 0.990 1269 K CA -0.285 55.864 56.287 -0.230 0.000 0.994 1269 K CB 0.804 33.225 32.500 -0.132 0.000 0.906 1269 K HN 0.182 nan 8.250 nan 0.000 0.488 1270 L N 4.202 125.102 121.223 -0.538 0.000 2.275 1270 L HA 0.437 4.777 4.340 -0.000 0.000 0.288 1270 L C -1.269 175.145 176.870 -0.759 0.000 1.046 1270 L CA 0.212 54.741 54.840 -0.519 0.000 0.805 1270 L CB 0.215 42.063 42.059 -0.350 0.000 1.193 1270 L HN 0.409 nan 8.230 nan 0.000 0.426 1271 F N 4.314 124.066 119.950 -0.331 0.000 2.603 1271 F HA 0.537 5.064 4.527 -0.000 0.000 0.317 1271 F C -0.175 175.643 175.800 0.030 0.000 1.066 1271 F CA -0.697 57.205 58.000 -0.164 0.000 0.941 1271 F CB 1.582 40.474 39.000 -0.179 0.000 1.291 1271 F HN 0.164 nan 8.300 nan 0.000 0.472 1272 I N 2.248 123.004 120.570 0.310 0.000 2.315 1272 I HA 0.323 4.493 4.170 -0.000 0.000 0.291 1272 I C 0.398 176.703 176.117 0.313 0.000 1.006 1272 I CA -0.629 60.821 61.300 0.251 0.000 1.265 1272 I CB 1.115 39.206 38.000 0.151 0.000 1.387 1272 I HN 0.478 nan 8.210 nan 0.000 0.475 1273 R N 4.799 125.483 120.500 0.306 0.000 2.697 1273 R HA -0.095 4.245 4.340 -0.000 0.000 0.265 1273 R C 0.436 176.808 176.300 0.121 0.000 1.009 1273 R CA 0.760 56.989 56.100 0.214 0.000 1.099 1273 R CB 0.216 30.594 30.300 0.131 0.000 0.965 1273 R HN 0.722 nan 8.270 nan 0.000 0.428 1274 D N -0.939 119.499 120.400 0.064 0.000 3.177 1274 D HA -0.279 4.361 4.640 -0.000 0.000 0.179 1274 D C 1.250 177.581 176.300 0.051 0.000 1.613 1274 D CA 2.572 56.593 54.000 0.035 0.000 2.105 1274 D CB -1.053 39.762 40.800 0.025 0.000 1.351 1274 D HN 0.756 nan 8.370 nan 0.000 0.417 1275 T N -2.769 111.834 114.554 0.082 0.000 3.043 1275 T HA 0.316 4.665 4.350 -0.000 0.000 0.263 1275 T C 1.265 176.029 174.700 0.107 0.000 1.094 1275 T CA 2.993 65.141 62.100 0.081 0.000 1.127 1275 T CB 0.104 69.020 68.868 0.080 0.000 0.905 1275 T HN 0.869 nan 8.240 nan 0.000 0.490 1276 E N 0.020 120.314 120.200 0.157 0.000 3.170 1276 E HA -0.269 4.081 4.350 -0.000 0.000 0.284 1276 E C 0.070 176.853 176.600 0.306 0.000 0.967 1276 E CA 1.440 57.959 56.400 0.198 0.000 0.919 1276 E CB -2.803 26.945 29.700 0.080 0.000 1.469 1276 E HN 0.927 nan 8.360 nan 0.000 0.444 1277 Q N -0.349 119.597 119.800 0.245 0.000 2.313 1277 Q HA 0.435 4.774 4.340 -0.000 0.000 0.266 1277 Q C 0.234 176.352 176.000 0.196 0.000 0.989 1277 Q CA 0.183 56.096 55.803 0.182 0.000 0.890 1277 Q CB 0.926 29.723 28.738 0.098 0.000 1.200 1277 Q HN 0.630 nan 8.270 nan 0.000 0.396 1278 E N 2.798 123.050 120.200 0.086 0.000 2.249 1278 E HA 0.261 4.611 4.350 -0.000 0.000 0.280 1278 E C -0.969 175.465 176.600 -0.276 0.000 1.016 1278 E CA -0.475 55.772 56.400 -0.255 0.000 0.830 1278 E CB 0.785 30.361 29.700 -0.206 0.000 1.081 1278 E HN 0.501 nan 8.360 nan 0.000 0.395 1279 I N 4.253 124.577 120.570 -0.409 0.000 2.307 1279 I HA 0.181 4.351 4.170 -0.000 0.000 0.289 1279 I C 0.760 176.525 176.117 -0.586 0.000 1.021 1279 I CA -0.159 60.921 61.300 -0.366 0.000 1.224 1279 I CB 1.523 39.359 38.000 -0.273 0.000 1.376 1279 I HN 0.674 nan 8.210 nan 0.000 0.470 1280 A N 6.186 128.589 122.820 -0.696 0.000 1.943 1280 A HA 0.226 4.546 4.320 -0.000 0.000 0.213 1280 A C 0.759 177.861 177.584 -0.803 0.000 1.181 1280 A CA 0.752 52.016 52.037 -1.288 0.000 0.653 1280 A CB 0.340 18.757 19.000 -0.972 0.000 0.833 1280 A HN 0.433 nan 8.150 nan 0.000 0.451 1281 V N 0.342 119.979 119.914 -0.461 0.000 2.638 1281 V HA 0.396 4.516 4.120 -0.000 0.000 0.306 1281 V C -1.016 174.916 176.094 -0.270 0.000 1.052 1281 V CA -0.651 61.455 62.300 -0.323 0.000 0.885 1281 V CB 1.915 33.574 31.823 -0.274 0.000 0.999 1281 V HN 0.018 nan 8.190 nan 0.000 0.424 1282 V N 5.064 124.820 119.914 -0.263 0.000 2.311 1282 V HA 0.330 4.450 4.120 -0.000 0.000 0.275 1282 V C -0.923 174.941 176.094 -0.383 0.000 1.022 1282 V CA -0.603 61.496 62.300 -0.335 0.000 0.830 1282 V CB 1.015 32.629 31.823 -0.350 0.000 1.012 1282 V HN 0.765 nan 8.190 nan 0.000 0.452 1283 Y N 6.456 126.427 120.300 -0.548 0.000 2.369 1283 Y HA 0.545 5.095 4.550 -0.000 0.000 0.337 1283 Y C -0.696 174.903 175.900 -0.501 0.000 0.961 1283 Y CA -1.846 55.938 58.100 -0.527 0.000 1.186 1283 Y CB 0.635 38.687 38.460 -0.679 0.000 1.139 1283 Y HN 0.602 nan 8.280 nan 0.000 0.494 1284 Y N 6.133 126.233 120.300 -0.334 0.000 2.393 1284 Y HA 0.380 4.930 4.550 -0.000 0.000 0.338 1284 Y C 0.883 176.464 175.900 -0.531 0.000 1.029 1284 Y CA -0.219 57.672 58.100 -0.348 0.000 1.239 1284 Y CB 0.808 39.214 38.460 -0.091 0.000 1.170 1284 Y HN 0.428 nan 8.280 nan 0.000 0.515 1285 R N 1.491 121.801 120.500 -0.317 0.000 2.629 1285 R HA 0.264 4.604 4.340 -0.000 0.000 0.386 1285 R C -0.404 175.870 176.300 -0.042 0.000 1.071 1285 R CA -0.116 55.819 56.100 -0.274 0.000 1.104 1285 R CB 0.796 30.886 30.300 -0.350 0.000 1.370 1285 R HN 0.695 nan 8.270 nan 0.000 0.574 1286 T N -2.827 111.756 114.554 0.047 0.000 2.733 1286 T HA 0.432 4.782 4.350 -0.000 0.000 0.312 1286 T C -0.263 174.451 174.700 0.023 0.000 1.590 1286 T CA 0.463 62.576 62.100 0.021 0.000 1.005 1286 T CB 1.324 70.060 68.868 -0.220 0.000 1.528 1286 T HN 0.258 nan 8.240 nan 0.000 0.496 1287 G N 0.856 109.540 108.800 -0.194 0.000 2.134 1287 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.209 1287 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.209 1287 G C 0.253 175.286 174.900 0.222 0.000 0.993 1287 G CA 0.950 45.991 45.100 -0.099 0.000 0.669 1287 G HN 1.296 nan 8.290 nan 0.000 0.519 1288 Y N -1.077 119.330 120.300 0.178 0.000 2.467 1288 Y HA 0.672 5.222 4.550 -0.000 0.000 0.250 1288 Y C 0.803 176.789 175.900 0.143 0.000 1.155 1288 Y CA 0.044 58.293 58.100 0.248 0.000 1.249 1288 Y CB 0.310 38.831 38.460 0.102 0.000 1.146 1288 Y HN 0.285 nan 8.280 nan 0.000 0.524 1289 T N -0.489 113.755 114.554 -0.517 0.000 2.903 1289 T HA 0.192 4.542 4.350 -0.000 0.000 0.299 1289 T C 0.811 175.100 174.700 -0.685 0.000 1.093 1289 T CA 0.115 61.797 62.100 -0.697 0.000 1.002 1289 T CB 1.793 70.372 68.868 -0.481 0.000 1.127 1289 T HN 0.177 nan 8.240 nan 0.000 0.488 1290 T N 1.300 115.329 114.554 -0.876 0.000 2.699 1290 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 1290 T C 1.908 176.615 174.700 0.011 0.000 1.036 1290 T CA 2.952 64.891 62.100 -0.269 0.000 1.147 1290 T CB -0.809 67.981 68.868 -0.130 0.000 0.862 1290 T HN 0.867 nan 8.240 nan 0.000 0.446 1291 T N -0.668 113.828 114.554 -0.097 0.000 3.155 1291 T HA -0.044 4.306 4.350 -0.000 0.000 0.264 1291 T C 1.278 175.918 174.700 -0.099 0.000 1.160 1291 T CA 1.005 63.071 62.100 -0.056 0.000 1.075 1291 T CB -0.325 68.501 68.868 -0.070 0.000 0.921 1291 T HN 0.364 nan 8.240 nan 0.000 0.533 1292 D N 0.470 120.758 120.400 -0.186 0.000 2.277 1292 D HA 0.025 4.665 4.640 -0.000 0.000 0.208 1292 D C -0.358 175.710 176.300 -0.386 0.000 0.962 1292 D CA 0.683 54.488 54.000 -0.324 0.000 0.865 1292 D CB -0.114 40.373 40.800 -0.523 0.000 0.939 1292 D HN 0.558 nan 8.370 nan 0.000 0.510 1293 Y N 0.632 120.804 120.300 -0.214 0.000 2.595 1293 Y HA 0.168 4.718 4.550 -0.000 0.000 0.336 1293 Y C 1.605 177.425 175.900 -0.132 0.000 0.996 1293 Y CA -0.587 57.286 58.100 -0.379 0.000 1.260 1293 Y CB 0.920 38.809 38.460 -0.953 0.000 1.108 1293 Y HN -0.202 nan 8.280 nan 0.000 0.509 1294 T N -2.203 112.355 114.554 0.007 0.000 3.113 1294 T HA 0.167 4.517 4.350 -0.000 0.000 0.256 1294 T C 0.512 175.259 174.700 0.078 0.000 1.131 1294 T CA 0.624 62.752 62.100 0.046 0.000 1.074 1294 T CB -0.160 68.722 68.868 0.024 0.000 0.944 1294 T HN 0.531 nan 8.240 nan 0.000 0.516 1295 S N -0.821 114.938 115.700 0.098 0.000 2.643 1295 S HA 0.402 4.872 4.470 -0.000 0.000 0.266 1295 S C 0.309 175.033 174.600 0.207 0.000 1.130 1295 S CA -0.387 57.893 58.200 0.133 0.000 0.817 1295 S CB 1.268 64.516 63.200 0.081 0.000 1.107 1295 S HN -0.022 nan 8.310 nan 0.000 0.471 1296 E N 1.072 121.393 120.200 0.202 0.000 2.160 1296 E HA -0.050 4.300 4.350 -0.000 0.000 0.195 1296 E C 1.788 178.496 176.600 0.179 0.000 0.991 1296 E CA 2.023 58.562 56.400 0.231 0.000 0.810 1296 E CB -0.312 29.462 29.700 0.123 0.000 0.742 1296 E HN 0.482 nan 8.360 nan 0.000 0.466 1297 K N 0.329 120.790 120.400 0.102 0.000 2.097 1297 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 1297 K C 1.737 178.342 176.600 0.009 0.000 1.049 1297 K CA 1.441 57.762 56.287 0.057 0.000 0.933 1297 K CB -0.777 31.747 32.500 0.040 0.000 0.717 1297 K HN 0.413 nan 8.250 nan 0.000 0.442 1298 D N -0.683 119.680 120.400 -0.061 0.000 2.117 1298 D HA -0.100 4.539 4.640 -0.000 0.000 0.197 1298 D C 1.741 177.774 176.300 -0.445 0.000 0.987 1298 D CA 1.075 54.852 54.000 -0.370 0.000 0.829 1298 D CB -0.336 40.192 40.800 -0.454 0.000 0.961 1298 D HN 0.474 nan 8.370 nan 0.000 0.460 1299 W N 1.575 122.829 121.300 -0.076 0.000 2.363 1299 W HA -0.084 4.576 4.660 -0.000 0.000 0.296 1299 W C 2.400 178.884 176.519 -0.059 0.000 1.212 1299 W CA 0.680 57.975 57.345 -0.083 0.000 1.260 1299 W CB -0.166 29.225 29.460 -0.115 0.000 1.131 1299 W HN 0.068 nan 8.180 nan 0.000 0.530 1300 E N -0.236 120.069 120.200 0.175 0.000 2.150 1300 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 1300 E C 2.286 178.977 176.600 0.153 0.000 0.985 1300 E CA 1.056 57.543 56.400 0.146 0.000 0.814 1300 E CB -0.333 29.430 29.700 0.104 0.000 0.752 1300 E HN 0.249 nan 8.360 nan 0.000 0.466 1301 A N 1.341 124.209 122.820 0.080 0.000 1.897 1301 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 1301 A C 2.091 179.859 177.584 0.307 0.000 1.181 1301 A CA 1.371 53.515 52.037 0.177 0.000 0.620 1301 A CB -0.274 18.843 19.000 0.194 0.000 0.821 1301 A HN 0.008 nan 8.150 nan 0.000 0.443 1302 R N -0.241 120.350 120.500 0.152 0.000 2.073 1302 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 1302 R C 1.871 178.352 176.300 0.301 0.000 1.134 1302 R CA 1.821 58.102 56.100 0.300 0.000 0.952 1302 R CB -0.964 29.454 30.300 0.197 0.000 0.850 1302 R HN 0.419 nan 8.270 nan 0.000 0.433 1303 L N -0.009 121.363 121.223 0.248 0.000 2.083 1303 L HA -0.007 4.332 4.340 -0.000 0.000 0.209 1303 L C 2.047 179.055 176.870 0.232 0.000 1.083 1303 L CA 1.697 56.661 54.840 0.207 0.000 0.752 1303 L CB -0.809 41.349 42.059 0.165 0.000 0.899 1303 L HN 0.311 nan 8.230 nan 0.000 0.433 1304 F N -0.503 119.525 119.950 0.131 0.000 2.102 1304 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 1304 F C 2.004 177.880 175.800 0.127 0.000 1.105 1304 F CA 1.847 59.921 58.000 0.123 0.000 1.239 1304 F CB -0.186 38.887 39.000 0.121 0.000 0.991 1304 F HN 0.062 nan 8.300 nan 0.000 0.474 1305 L N 0.112 121.485 121.223 0.250 0.000 2.017 1305 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 1305 L C 2.546 179.455 176.870 0.065 0.000 1.073 1305 L CA 1.297 56.210 54.840 0.121 0.000 0.745 1305 L CB -0.838 41.398 42.059 0.295 0.000 0.894 1305 L HN 0.091 nan 8.230 nan 0.000 0.432 1306 E N 0.538 120.831 120.200 0.156 0.000 2.153 1306 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 1306 E C 2.044 178.683 176.600 0.065 0.000 0.988 1306 E CA 1.155 57.632 56.400 0.129 0.000 0.811 1306 E CB -0.101 29.688 29.700 0.149 0.000 0.746 1306 E HN 0.487 nan 8.360 nan 0.000 0.466 1307 K N 1.114 121.533 120.400 0.031 0.000 2.365 1307 K HA 0.009 4.329 4.320 -0.000 0.000 0.197 1307 K C 1.251 177.891 176.600 0.066 0.000 1.042 1307 K CA 0.154 56.469 56.287 0.047 0.000 0.987 1307 K CB 0.160 32.687 32.500 0.044 0.000 0.779 1307 K HN 0.038 nan 8.250 nan 0.000 0.484 1308 S N -0.232 115.418 115.700 -0.084 0.000 2.606 1308 S HA 0.015 4.485 4.470 -0.000 0.000 0.257 1308 S C 0.677 175.273 174.600 -0.007 0.000 1.327 1308 S CA -0.560 57.555 58.200 -0.140 0.000 0.984 1308 S CB 0.372 63.398 63.200 -0.289 0.000 0.941 1308 S HN 0.193 nan 8.310 nan 0.000 0.576 1309 F N 1.105 120.926 119.950 -0.215 0.000 2.811 1309 F HA 0.411 4.938 4.527 -0.000 0.000 0.301 1309 F C 1.299 177.099 175.800 0.001 0.000 1.151 1309 F CA -0.224 57.710 58.000 -0.111 0.000 1.412 1309 F CB -0.862 38.014 39.000 -0.206 0.000 1.113 1309 F HN 0.794 nan 8.300 nan 0.000 0.579 1310 A N 0.974 123.730 122.820 -0.107 0.000 2.425 1310 A HA 0.305 4.625 4.320 -0.000 0.000 0.242 1310 A C 0.205 177.663 177.584 -0.211 0.000 1.077 1310 A CA -0.359 51.549 52.037 -0.215 0.000 0.781 1310 A CB -0.138 18.694 19.000 -0.282 0.000 1.020 1310 A HN 0.243 nan 8.150 nan 0.000 0.494 1311 I N 1.396 121.838 120.570 -0.213 0.000 2.416 1311 I HA 0.150 4.320 4.170 -0.000 0.000 0.288 1311 I C 0.129 176.166 176.117 -0.133 0.000 1.051 1311 I CA -0.155 61.055 61.300 -0.151 0.000 1.375 1311 I CB 0.959 38.894 38.000 -0.108 0.000 1.407 1311 I HN 0.528 nan 8.210 nan 0.000 0.516 1312 K N 4.860 125.221 120.400 -0.065 0.000 2.118 1312 K HA 0.646 4.966 4.320 -0.000 0.000 0.267 1312 K C -0.430 176.190 176.600 0.034 0.000 0.991 1312 K CA -0.320 55.976 56.287 0.016 0.000 0.916 1312 K CB 1.669 34.266 32.500 0.162 0.000 1.041 1312 K HN 0.653 nan 8.250 nan 0.000 0.455 1313 A N 4.483 127.358 122.820 0.090 0.000 2.893 1313 A HA 0.413 4.733 4.320 -0.000 0.000 0.333 1313 A C -2.590 175.180 177.584 0.309 0.000 1.152 1313 A CA -1.203 50.903 52.037 0.116 0.000 0.782 1313 A CB 0.208 19.220 19.000 0.020 0.000 1.108 1313 A HN 0.466 nan 8.150 nan 0.000 0.469 1314 P HA 0.524 nan 4.420 nan 0.000 0.290 1314 P C -1.154 176.302 177.300 0.260 0.000 1.302 1314 P CA -0.362 62.887 63.100 0.247 0.000 0.893 1314 P CB 1.666 33.527 31.700 0.269 0.000 1.272 1315 D N -0.327 120.182 120.400 0.182 0.000 2.411 1315 D HA 0.084 4.724 4.640 -0.000 0.000 0.251 1315 D C 1.633 178.008 176.300 0.126 0.000 1.201 1315 D CA -0.548 53.550 54.000 0.164 0.000 0.996 1315 D CB -0.031 40.842 40.800 0.122 0.000 1.101 1315 D HN 0.165 nan 8.370 nan 0.000 0.504 1316 L N -0.777 120.512 121.223 0.110 0.000 1.990 1316 L HA -0.214 4.126 4.340 -0.000 0.000 0.213 1316 L C 2.567 179.465 176.870 0.047 0.000 1.072 1316 L CA 1.189 56.074 54.840 0.075 0.000 0.755 1316 L CB -0.512 41.611 42.059 0.108 0.000 0.889 1316 L HN 0.369 nan 8.230 nan 0.000 0.432 1317 L N -0.979 120.248 121.223 0.006 0.000 2.083 1317 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 1317 L C 2.633 179.562 176.870 0.098 0.000 1.083 1317 L CA 1.542 56.357 54.840 -0.041 0.000 0.752 1317 L CB -0.786 41.201 42.059 -0.120 0.000 0.899 1317 L HN 0.325 nan 8.230 nan 0.000 0.433 1318 T N -1.195 113.472 114.554 0.187 0.000 2.746 1318 T HA -0.281 4.069 4.350 -0.000 0.000 0.267 1318 T C 1.802 176.640 174.700 0.229 0.000 1.039 1318 T CA 1.474 63.751 62.100 0.296 0.000 1.142 1318 T CB -0.157 68.963 68.868 0.420 0.000 0.866 1318 T HN 0.354 nan 8.240 nan 0.000 0.444 1319 Q N 0.438 120.346 119.800 0.178 0.000 2.096 1319 Q HA -0.088 4.252 4.340 -0.000 0.000 0.204 1319 Q C 2.195 178.268 176.000 0.121 0.000 0.982 1319 Q CA 1.341 57.230 55.803 0.144 0.000 0.850 1319 Q CB -0.332 28.470 28.738 0.108 0.000 0.901 1319 Q HN 0.484 nan 8.270 nan 0.000 0.422 1320 L N 0.726 122.010 121.223 0.103 0.000 2.275 1320 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 1320 L C 2.563 179.489 176.870 0.095 0.000 1.119 1320 L CA 1.058 55.953 54.840 0.092 0.000 0.790 1320 L CB -0.368 41.747 42.059 0.094 0.000 0.919 1320 L HN 0.342 nan 8.230 nan 0.000 0.443 1321 S N -0.620 115.150 115.700 0.116 0.000 2.507 1321 S HA -0.066 4.404 4.470 -0.000 0.000 0.235 1321 S C 1.727 176.452 174.600 0.209 0.000 0.988 1321 S CA 0.757 59.040 58.200 0.137 0.000 0.944 1321 S CB -0.385 62.920 63.200 0.176 0.000 0.762 1321 S HN 0.407 nan 8.310 nan 0.000 0.526 1322 G N 1.556 110.436 108.800 0.134 0.000 3.141 1322 G HA2 0.271 4.231 3.960 -0.000 0.000 0.218 1322 G HA3 0.271 4.231 3.960 -0.000 0.000 0.218 1322 G C 0.411 175.363 174.900 0.086 0.000 1.170 1322 G CA 0.106 45.256 45.100 0.085 0.000 0.769 1322 G HN 0.671 nan 8.290 nan 0.000 0.546 1323 S N -0.371 115.384 115.700 0.092 0.000 2.579 1323 S HA 0.214 4.684 4.470 -0.000 0.000 0.275 1323 S C 1.252 175.883 174.600 0.053 0.000 1.345 1323 S CA -0.238 58.008 58.200 0.076 0.000 1.031 1323 S CB 1.724 64.962 63.200 0.063 0.000 0.892 1323 S HN 0.236 nan 8.310 nan 0.000 0.529 1324 K N 1.333 121.757 120.400 0.040 0.000 2.063 1324 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 1324 K C 2.487 179.081 176.600 -0.009 0.000 1.048 1324 K CA 1.539 57.835 56.287 0.014 0.000 0.928 1324 K CB -0.335 32.172 32.500 0.013 0.000 0.713 1324 K HN 0.524 nan 8.250 nan 0.000 0.442 1325 K N 0.959 121.354 120.400 -0.009 0.000 2.020 1325 K HA -0.127 4.193 4.320 -0.000 0.000 0.212 1325 K C 2.120 178.692 176.600 -0.047 0.000 1.050 1325 K CA 1.600 57.868 56.287 -0.031 0.000 0.929 1325 K CB -0.702 31.777 32.500 -0.035 0.000 0.714 1325 K HN 0.266 nan 8.250 nan 0.000 0.443 1326 I N 1.134 121.683 120.570 -0.036 0.000 2.208 1326 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 1326 I C 2.864 178.930 176.117 -0.084 0.000 1.097 1326 I CA 1.606 62.870 61.300 -0.061 0.000 1.363 1326 I CB -0.474 37.503 38.000 -0.038 0.000 1.051 1326 I HN 0.390 nan 8.210 nan 0.000 0.413 1327 Q N 0.314 120.095 119.800 -0.033 0.000 2.124 1327 Q HA -0.277 4.063 4.340 -0.000 0.000 0.202 1327 Q C 2.585 178.480 176.000 -0.176 0.000 0.977 1327 Q CA 2.202 57.971 55.803 -0.058 0.000 0.850 1327 Q CB -0.317 28.420 28.738 -0.001 0.000 0.901 1327 Q HN 0.717 nan 8.270 nan 0.000 0.429 1328 Q N 0.635 120.356 119.800 -0.132 0.000 2.137 1328 Q HA -0.047 4.293 4.340 -0.000 0.000 0.198 1328 Q C 1.920 177.830 176.000 -0.150 0.000 0.960 1328 Q CA 1.046 56.761 55.803 -0.147 0.000 0.847 1328 Q CB -0.720 27.963 28.738 -0.091 0.000 0.915 1328 Q HN 0.371 nan 8.270 nan 0.000 0.448 1329 L N -0.097 121.054 121.223 -0.122 0.000 2.187 1329 L HA -0.092 4.248 4.340 -0.000 0.000 0.213 1329 L C 2.396 179.196 176.870 -0.116 0.000 1.100 1329 L CA 1.197 55.978 54.840 -0.099 0.000 0.765 1329 L CB -0.001 42.010 42.059 -0.081 0.000 0.904 1329 L HN 0.440 nan 8.230 nan 0.000 0.437 1330 L N -1.490 119.619 121.223 -0.190 0.000 2.341 1330 L HA -0.089 4.251 4.340 -0.000 0.000 0.214 1330 L C 2.362 179.075 176.870 -0.262 0.000 1.115 1330 L CA 1.152 55.862 54.840 -0.216 0.000 0.820 1330 L CB -0.705 41.169 42.059 -0.309 0.000 0.944 1330 L HN 0.405 nan 8.230 nan 0.000 0.452 1331 T N -4.278 110.040 114.554 -0.393 0.000 3.051 1331 T HA -0.066 4.284 4.350 -0.000 0.000 0.269 1331 T C 0.585 175.267 174.700 -0.029 0.000 1.127 1331 T CA 0.207 62.095 62.100 -0.352 0.000 1.107 1331 T CB -0.400 68.279 68.868 -0.314 0.000 0.898 1331 T HN 0.095 nan 8.240 nan 0.000 0.517 1332 D N 2.039 122.414 120.400 -0.041 0.000 2.316 1332 D HA 0.145 4.785 4.640 -0.000 0.000 0.245 1332 D C 0.950 177.273 176.300 0.037 0.000 1.171 1332 D CA -0.130 53.868 54.000 -0.003 0.000 0.856 1332 D CB 1.499 42.285 40.800 -0.023 0.000 1.090 1332 D HN 0.456 nan 8.370 nan 0.000 0.476 1333 E N 2.202 122.432 120.200 0.051 0.000 2.219 1333 E HA -0.194 4.156 4.350 -0.000 0.000 0.198 1333 E C 1.801 178.419 176.600 0.029 0.000 0.998 1333 E CA 1.295 57.726 56.400 0.051 0.000 0.818 1333 E CB 0.103 29.826 29.700 0.039 0.000 0.741 1333 E HN 0.641 nan 8.360 nan 0.000 0.477 1334 G N -0.061 108.749 108.800 0.017 0.000 2.394 1334 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.214 1334 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.214 1334 G C 1.601 176.505 174.900 0.006 0.000 1.176 1334 G CA 0.728 45.831 45.100 0.005 0.000 0.786 1334 G HN 0.230 nan 8.290 nan 0.000 0.533 1335 V N 0.564 120.491 119.914 0.021 0.000 2.548 1335 V HA -0.060 4.060 4.120 -0.000 0.000 0.249 1335 V C 2.653 178.815 176.094 0.114 0.000 1.055 1335 V CA 1.278 63.610 62.300 0.054 0.000 1.065 1335 V CB -0.229 31.626 31.823 0.054 0.000 0.681 1335 V HN 0.300 nan 8.190 nan 0.000 0.462 1336 L N 1.466 122.745 121.223 0.092 0.000 2.056 1336 L HA 0.004 4.344 4.340 -0.000 0.000 0.207 1336 L C 2.371 179.290 176.870 0.083 0.000 1.078 1336 L CA 2.279 57.190 54.840 0.119 0.000 0.749 1336 L CB -1.199 40.924 42.059 0.107 0.000 0.901 1336 L HN 0.297 nan 8.230 nan 0.000 0.433 1337 G N -0.978 107.835 108.800 0.022 0.000 2.527 1337 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 1337 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 1337 G C 1.529 176.381 174.900 -0.080 0.000 1.117 1337 G CA 0.804 45.891 45.100 -0.021 0.000 0.759 1337 G HN 0.471 nan 8.290 nan 0.000 0.556 1338 K N -0.821 119.488 120.400 -0.151 0.000 2.167 1338 K HA 0.022 4.342 4.320 -0.000 0.000 0.203 1338 K C 1.483 177.758 176.600 -0.543 0.000 1.052 1338 K CA 0.865 56.919 56.287 -0.389 0.000 0.956 1338 K CB -0.065 32.080 32.500 -0.591 0.000 0.735 1338 K HN 0.503 nan 8.250 nan 0.000 0.451 1339 Y N 0.109 120.373 120.300 -0.060 0.000 2.444 1339 Y HA 0.320 4.870 4.550 -0.000 0.000 0.249 1339 Y C 0.527 176.382 175.900 -0.075 0.000 1.134 1339 Y CA -0.276 57.780 58.100 -0.074 0.000 1.261 1339 Y CB 0.743 39.140 38.460 -0.105 0.000 1.143 1339 Y HN -0.155 nan 8.280 nan 0.000 0.523 1340 I N -0.607 119.983 120.570 0.033 0.000 2.500 1340 I HA 0.185 4.355 4.170 -0.000 0.000 0.286 1340 I C 0.213 176.314 176.117 -0.028 0.000 1.063 1340 I CA -0.178 61.118 61.300 -0.006 0.000 1.062 1340 I CB 2.090 40.077 38.000 -0.022 0.000 1.223 1340 I HN -0.087 nan 8.210 nan 0.000 0.435 1341 S N 2.043 117.724 115.700 -0.032 0.000 2.317 1341 S HA -0.138 4.332 4.470 -0.000 0.000 0.212 1341 S C 0.672 175.253 174.600 -0.032 0.000 1.030 1341 S CA 0.536 58.716 58.200 -0.034 0.000 0.970 1341 S CB -0.071 63.111 63.200 -0.031 0.000 0.928 1341 S HN 0.790 nan 8.310 nan 0.000 0.451 1342 D N 1.158 121.539 120.400 -0.032 0.000 2.793 1342 D HA 0.118 4.758 4.640 -0.000 0.000 0.230 1342 D C 1.123 177.400 176.300 -0.038 0.000 1.139 1342 D CA 0.363 54.343 54.000 -0.033 0.000 0.838 1342 D CB 0.591 41.369 40.800 -0.035 0.000 1.149 1342 D HN 0.397 nan 8.370 nan 0.000 0.526 1343 A N 3.708 126.509 122.820 -0.033 0.000 1.933 1343 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 1343 A C 1.991 179.550 177.584 -0.043 0.000 1.175 1343 A CA 1.940 53.957 52.037 -0.034 0.000 0.628 1343 A CB -0.470 18.515 19.000 -0.025 0.000 0.814 1343 A HN 0.776 nan 8.150 nan 0.000 0.444 1344 E N 0.387 120.561 120.200 -0.044 0.000 2.051 1344 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 1344 E C 1.983 178.540 176.600 -0.072 0.000 0.991 1344 E CA 1.470 57.839 56.400 -0.051 0.000 0.799 1344 E CB -0.207 29.467 29.700 -0.044 0.000 0.748 1344 E HN 0.563 nan 8.360 nan 0.000 0.449 1345 K N 0.798 121.153 120.400 -0.075 0.000 2.097 1345 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 1345 K C 2.125 178.645 176.600 -0.134 0.000 1.049 1345 K CA 1.044 57.269 56.287 -0.104 0.000 0.933 1345 K CB -0.096 32.349 32.500 -0.092 0.000 0.717 1345 K HN 0.019 nan 8.250 nan 0.000 0.442 1346 K N 0.551 120.890 120.400 -0.102 0.000 2.026 1346 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 1346 K C 2.644 179.170 176.600 -0.122 0.000 1.048 1346 K CA 1.581 57.806 56.287 -0.103 0.000 0.929 1346 K CB -0.267 32.199 32.500 -0.057 0.000 0.713 1346 K HN 0.188 nan 8.250 nan 0.000 0.439 1347 S N 0.913 116.557 115.700 -0.094 0.000 2.370 1347 S HA -0.174 4.296 4.470 -0.000 0.000 0.226 1347 S C 2.067 176.590 174.600 -0.129 0.000 1.033 1347 S CA 2.121 60.268 58.200 -0.089 0.000 1.011 1347 S CB -0.421 62.743 63.200 -0.060 0.000 0.852 1347 S HN 0.127 nan 8.310 nan 0.000 0.457 1348 S N 0.960 116.574 115.700 -0.144 0.000 2.368 1348 S HA 0.029 4.499 4.470 -0.000 0.000 0.225 1348 S C 1.845 176.295 174.600 -0.251 0.000 1.030 1348 S CA 1.138 59.240 58.200 -0.163 0.000 0.999 1348 S CB -0.334 62.777 63.200 -0.147 0.000 0.844 1348 S HN 0.557 nan 8.310 nan 0.000 0.459 1349 L N 0.902 121.911 121.223 -0.356 0.000 2.005 1349 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 1349 L C 2.254 178.600 176.870 -0.874 0.000 1.072 1349 L CA 1.043 55.517 54.840 -0.609 0.000 0.744 1349 L CB -0.626 41.066 42.059 -0.611 0.000 0.895 1349 L HN 0.278 nan 8.230 nan 0.000 0.433 1350 L N -0.180 120.699 121.223 -0.574 0.000 2.129 1350 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 1350 L C 2.595 179.298 176.870 -0.278 0.000 1.087 1350 L CA 1.349 55.940 54.840 -0.415 0.000 0.757 1350 L CB -0.508 41.488 42.059 -0.104 0.000 0.896 1350 L HN 0.242 nan 8.230 nan 0.000 0.434 1351 K N -0.479 119.795 120.400 -0.210 0.000 2.152 1351 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 1351 K C 2.010 178.575 176.600 -0.058 0.000 1.048 1351 K CA 1.868 58.099 56.287 -0.093 0.000 0.933 1351 K CB -0.205 32.247 32.500 -0.079 0.000 0.721 1351 K HN 0.490 nan 8.250 nan 0.000 0.447 1352 T N -1.426 113.050 114.554 -0.131 0.000 3.100 1352 T HA 0.063 4.413 4.350 -0.000 0.000 0.253 1352 T C 0.463 175.295 174.700 0.219 0.000 1.118 1352 T CA -0.174 61.966 62.100 0.067 0.000 1.058 1352 T CB -0.074 68.940 68.868 0.243 0.000 0.953 1352 T HN -0.208 nan 8.240 nan 0.000 0.515 1353 F N 1.752 121.790 119.950 0.147 0.000 2.371 1353 F HA 0.539 5.066 4.527 -0.000 0.000 0.329 1353 F C 0.427 176.269 175.800 0.070 0.000 1.107 1353 F CA -2.662 55.401 58.000 0.104 0.000 1.137 1353 F CB 0.680 39.726 39.000 0.076 0.000 1.214 1353 F HN -0.194 nan 8.300 nan 0.000 0.536 1354 V N 4.331 124.401 119.914 0.260 0.000 2.439 1354 V HA 0.108 4.227 4.120 -0.000 0.000 0.271 1354 V C 0.329 176.490 176.094 0.112 0.000 1.040 1354 V CA -0.781 61.609 62.300 0.150 0.000 1.002 1354 V CB -0.055 31.827 31.823 0.099 0.000 1.000 1354 V HN 0.450 nan 8.190 nan 0.000 0.477 1355 K N 5.451 125.913 120.400 0.104 0.000 2.218 1355 K HA 0.540 4.860 4.320 -0.000 0.000 0.276 1355 K C -0.363 176.201 176.600 -0.061 0.000 1.022 1355 K CA -0.213 56.064 56.287 -0.018 0.000 0.946 1355 K CB 2.075 34.581 32.500 0.009 0.000 1.000 1355 K HN 0.720 nan 8.250 nan 0.000 0.468 1356 I N 1.643 122.047 120.570 -0.275 0.000 2.582 1356 I HA 0.393 4.563 4.170 -0.000 0.000 0.292 1356 I C -1.609 174.276 176.117 -0.387 0.000 1.066 1356 I CA -0.944 60.257 61.300 -0.165 0.000 1.053 1356 I CB 1.328 39.289 38.000 -0.064 0.000 1.241 1356 I HN 0.461 nan 8.210 nan 0.000 0.421 1357 Y N 5.661 125.972 120.300 0.018 0.000 2.536 1357 Y HA 0.648 5.198 4.550 -0.000 0.000 0.347 1357 Y C -2.506 173.398 175.900 0.007 0.000 1.000 1357 Y CA -2.380 55.721 58.100 0.001 0.000 1.051 1357 Y CB 1.794 40.227 38.460 -0.043 0.000 1.259 1357 Y HN 0.394 nan 8.280 nan 0.000 0.468 1358 P HA 0.371 nan 4.420 nan 0.000 0.284 1358 P C -0.765 176.625 177.300 0.151 0.000 1.258 1358 P CA -0.473 62.705 63.100 0.129 0.000 0.824 1358 P CB 1.077 32.834 31.700 0.096 0.000 1.038 1359 L N 2.024 123.344 121.223 0.161 0.000 2.935 1359 L HA 0.327 4.667 4.340 -0.000 0.000 0.243 1359 L C 0.081 177.084 176.870 0.223 0.000 1.313 1359 L CA -0.205 54.765 54.840 0.217 0.000 0.969 1359 L CB -0.452 41.764 42.059 0.262 0.000 1.320 1359 L HN 0.456 nan 8.230 nan 0.000 0.511 1360 D N -3.512 116.974 120.400 0.143 0.000 2.808 1360 D HA 0.082 4.722 4.640 -0.000 0.000 0.249 1360 D C -0.212 176.120 176.300 0.053 0.000 1.151 1360 D CA -0.518 53.539 54.000 0.094 0.000 1.089 1360 D CB 0.811 41.656 40.800 0.073 0.000 1.295 1360 D HN -0.222 nan 8.370 nan 0.000 0.631 1361 D N -1.479 118.936 120.400 0.026 0.000 2.894 1361 D HA 0.520 5.160 4.640 -0.000 0.000 0.248 1361 D C 0.312 176.620 176.300 0.014 0.000 1.291 1361 D CA 0.657 54.661 54.000 0.007 0.000 0.840 1361 D CB -0.110 40.683 40.800 -0.012 0.000 1.044 1361 D HN 0.578 nan 8.370 nan 0.000 0.484 1362 T N -1.220 113.350 114.554 0.028 0.000 2.849 1362 T HA 0.575 4.925 4.350 -0.000 0.000 0.272 1362 T C 1.898 176.617 174.700 0.031 0.000 1.046 1362 T CA 0.336 62.452 62.100 0.027 0.000 0.983 1362 T CB 0.167 69.054 68.868 0.032 0.000 1.721 1362 T HN 0.193 nan 8.240 nan 0.000 0.594 1363 K N -0.500 119.921 120.400 0.035 0.000 1.980 1363 K HA 0.452 4.772 4.320 -0.000 0.000 0.208 1363 K C 2.698 179.334 176.600 0.060 0.000 1.043 1363 K CA 2.240 58.550 56.287 0.039 0.000 0.938 1363 K CB -1.718 30.803 32.500 0.035 0.000 0.724 1363 K HN 1.339 nan 8.250 nan 0.000 0.438 1364 L N 1.096 122.367 121.223 0.080 0.000 2.478 1364 L HA 0.349 4.689 4.340 -0.000 0.000 0.223 1364 L C 2.749 179.706 176.870 0.144 0.000 1.140 1364 L CA 1.918 56.840 54.840 0.136 0.000 0.842 1364 L CB -1.695 40.452 42.059 0.147 0.000 0.953 1364 L HN 0.614 nan 8.230 nan 0.000 0.452 1365 G N -0.505 108.354 108.800 0.098 0.000 2.414 1365 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.215 1365 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.215 1365 G C 1.905 176.848 174.900 0.071 0.000 1.188 1365 G CA 0.741 45.897 45.100 0.094 0.000 0.783 1365 G HN 0.579 nan 8.290 nan 0.000 0.537 1366 R N 0.257 120.784 120.500 0.046 0.000 2.120 1366 R HA -0.030 4.309 4.340 -0.000 0.000 0.234 1366 R C 2.433 178.735 176.300 0.003 0.000 1.123 1366 R CA 1.218 57.334 56.100 0.026 0.000 0.975 1366 R CB -0.291 30.016 30.300 0.011 0.000 0.866 1366 R HN 0.537 nan 8.270 nan 0.000 0.446 1367 E N 0.242 120.440 120.200 -0.003 0.000 2.077 1367 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 1367 E C 2.024 178.498 176.600 -0.210 0.000 0.989 1367 E CA 1.274 57.635 56.400 -0.065 0.000 0.800 1367 E CB -0.141 29.556 29.700 -0.004 0.000 0.746 1367 E HN 0.412 nan 8.360 nan 0.000 0.452 1368 G N 1.236 109.930 108.800 -0.176 0.000 2.421 1368 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 1368 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 1368 G C 1.504 176.277 174.900 -0.212 0.000 1.171 1368 G CA 0.992 45.909 45.100 -0.305 0.000 0.775 1368 G HN 0.198 nan 8.290 nan 0.000 0.543 1369 K N 0.220 120.614 120.400 -0.010 0.000 2.032 1369 K HA -0.076 4.244 4.320 -0.000 0.000 0.209 1369 K C 2.732 179.353 176.600 0.036 0.000 1.048 1369 K CA 1.168 57.537 56.287 0.137 0.000 0.927 1369 K CB -0.210 32.474 32.500 0.308 0.000 0.712 1369 K HN 0.160 nan 8.250 nan 0.000 0.441 1370 R N 0.930 121.420 120.500 -0.016 0.000 2.096 1370 R HA -0.126 4.214 4.340 -0.000 0.000 0.240 1370 R C 2.417 178.665 176.300 -0.086 0.000 1.139 1370 R CA 1.480 57.560 56.100 -0.033 0.000 0.952 1370 R CB -0.570 29.704 30.300 -0.043 0.000 0.854 1370 R HN 0.153 nan 8.270 nan 0.000 0.436 1371 L N -0.002 121.098 121.223 -0.204 0.000 2.046 1371 L HA -0.140 4.199 4.340 -0.000 0.000 0.208 1371 L C 2.678 179.387 176.870 -0.268 0.000 1.077 1371 L CA 1.187 55.861 54.840 -0.276 0.000 0.747 1371 L CB -0.627 41.074 42.059 -0.598 0.000 0.896 1371 L HN 0.285 nan 8.230 nan 0.000 0.432 1372 A N -0.013 122.617 122.820 -0.316 0.000 1.972 1372 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 1372 A C 2.132 179.648 177.584 -0.113 0.000 1.169 1372 A CA 1.412 53.299 52.037 -0.250 0.000 0.635 1372 A CB -0.447 18.381 19.000 -0.288 0.000 0.810 1372 A HN 0.438 nan 8.150 nan 0.000 0.446 1373 L N -0.494 120.693 121.223 -0.059 0.000 2.556 1373 L HA 0.034 4.374 4.340 -0.000 0.000 0.226 1373 L C 2.482 179.360 176.870 0.012 0.000 1.089 1373 L CA 0.918 55.755 54.840 -0.004 0.000 0.864 1373 L CB 0.020 42.109 42.059 0.051 0.000 1.067 1373 L HN 0.517 nan 8.230 nan 0.000 0.477 1374 S N -0.893 114.811 115.700 0.008 0.000 2.468 1374 S HA 0.060 4.530 4.470 -0.000 0.000 0.226 1374 S C 0.994 175.623 174.600 0.049 0.000 1.051 1374 S CA -0.030 58.184 58.200 0.024 0.000 0.943 1374 S CB 0.144 63.353 63.200 0.015 0.000 0.810 1374 S HN 0.374 nan 8.310 nan 0.000 0.509 1375 E N 1.833 122.084 120.200 0.085 0.000 4.170 1375 E HA 0.226 4.576 4.350 -0.000 0.000 0.215 1375 E C -2.187 174.548 176.600 0.225 0.000 1.119 1375 E CA -1.624 54.861 56.400 0.142 0.000 1.396 1375 E CB 1.471 31.279 29.700 0.180 0.000 1.182 1375 E HN 0.378 nan 8.360 nan 0.000 0.438 1376 P HA -0.203 nan 4.420 nan 0.000 0.216 1376 P C 1.153 178.544 177.300 0.151 0.000 1.150 1376 P CA 1.239 64.424 63.100 0.143 0.000 0.843 1376 P CB 0.297 32.026 31.700 0.048 0.000 0.787 1377 S N -0.212 115.539 115.700 0.085 0.000 2.500 1377 S HA -0.077 4.393 4.470 -0.000 0.000 0.239 1377 S C 1.610 176.204 174.600 -0.009 0.000 0.989 1377 S CA 1.049 59.275 58.200 0.043 0.000 0.951 1377 S CB -0.560 62.655 63.200 0.024 0.000 0.759 1377 S HN 0.381 nan 8.310 nan 0.000 0.523 1378 K N -0.433 119.922 120.400 -0.074 0.000 2.393 1378 K HA 0.179 4.499 4.320 -0.000 0.000 0.193 1378 K C -0.538 175.688 176.600 -0.624 0.000 1.026 1378 K CA 0.367 56.417 56.287 -0.395 0.000 1.064 1378 K CB 0.369 32.481 32.500 -0.646 0.000 0.833 1378 K HN 0.348 nan 8.250 nan 0.000 0.521 1379 Y N -0.883 119.430 120.300 0.022 0.000 2.738 1379 Y HA 0.448 4.998 4.550 -0.000 0.000 0.327 1379 Y C -0.329 175.559 175.900 -0.020 0.000 1.166 1379 Y CA -1.706 56.403 58.100 0.016 0.000 1.117 1379 Y CB 1.147 39.611 38.460 0.007 0.000 1.317 1379 Y HN -0.325 nan 8.280 nan 0.000 0.506 1380 V N 0.034 120.024 119.914 0.127 0.000 2.686 1380 V HA 0.656 4.776 4.120 -0.000 0.000 0.306 1380 V C -1.544 174.453 176.094 -0.161 0.000 1.065 1380 V CA -0.954 61.272 62.300 -0.125 0.000 0.894 1380 V CB 1.640 33.356 31.823 -0.178 0.000 1.004 1380 V HN 0.598 nan 8.190 nan 0.000 0.424 1381 L N 4.323 125.361 121.223 -0.308 0.000 2.275 1381 L HA 0.684 5.024 4.340 -0.000 0.000 0.288 1381 L C -0.022 176.717 176.870 -0.218 0.000 1.046 1381 L CA 0.274 54.959 54.840 -0.259 0.000 0.805 1381 L CB 0.926 42.734 42.059 -0.418 0.000 1.193 1381 L HN 0.845 nan 8.230 nan 0.000 0.426 1382 K N 5.421 125.797 120.400 -0.041 0.000 2.375 1382 K HA 0.566 4.886 4.320 -0.000 0.000 0.249 1382 K C -2.614 174.024 176.600 0.063 0.000 0.942 1382 K CA -1.817 54.467 56.287 -0.005 0.000 0.806 1382 K CB 1.881 34.353 32.500 -0.045 0.000 1.227 1382 K HN 0.282 nan 8.250 nan 0.000 0.430 1383 P HA 0.017 nan 4.420 nan 0.000 0.282 1383 P C -0.965 176.253 177.300 -0.137 0.000 1.274 1383 P CA -0.331 62.616 63.100 -0.255 0.000 0.770 1383 P CB 0.696 32.238 31.700 -0.263 0.000 0.867 1391 N N 0.905 119.575 118.700 -0.051 0.000 2.456 1391 N HA 0.324 5.064 4.740 -0.000 0.000 0.288 1391 N C -0.771 174.457 175.510 -0.470 0.000 1.059 1391 N CA -0.285 52.572 53.050 -0.322 0.000 0.946 1391 N CB 2.064 40.242 38.487 -0.514 0.000 1.150 1391 N HN 0.160 nan 8.380 nan 0.000 0.479 1392 V N 3.517 123.054 119.914 -0.628 0.000 2.334 1392 V HA 0.251 4.371 4.120 -0.000 0.000 0.267 1392 V C -0.475 175.337 176.094 -0.470 0.000 1.040 1392 V CA -0.566 61.405 62.300 -0.547 0.000 0.866 1392 V CB -0.926 30.339 31.823 -0.930 0.000 1.019 1392 V HN 0.435 nan 8.190 nan 0.000 0.468 1393 Y N 3.177 123.402 120.300 -0.125 0.000 2.354 1393 Y HA 0.510 5.060 4.550 -0.000 0.000 0.322 1393 Y C 1.098 176.972 175.900 -0.044 0.000 1.253 1393 Y CA -0.968 57.094 58.100 -0.063 0.000 1.272 1393 Y CB 0.606 39.044 38.460 -0.037 0.000 1.255 1393 Y HN 0.539 nan 8.280 nan 0.000 0.500 1394 K N 0.188 120.673 120.400 0.141 0.000 1.967 1394 K HA -0.364 3.956 4.320 -0.000 0.000 0.106 1394 K C 1.080 177.713 176.600 0.056 0.000 1.155 1394 K CA 2.417 58.759 56.287 0.091 0.000 0.468 1394 K CB -0.683 31.869 32.500 0.087 0.000 0.548 1394 K HN 0.851 nan 8.250 nan 0.000 0.984 1395 E N 0.602 120.832 120.200 0.050 0.000 2.492 1395 E HA -0.142 4.208 4.350 -0.000 0.000 0.204 1395 E C 0.865 177.483 176.600 0.030 0.000 1.073 1395 E CA 1.491 57.913 56.400 0.036 0.000 0.887 1395 E CB -0.341 29.378 29.700 0.032 0.000 0.813 1395 E HN 0.369 nan 8.360 nan 0.000 0.562 1396 N N -0.625 118.094 118.700 0.032 0.000 2.325 1396 N HA 0.158 4.898 4.740 -0.000 0.000 0.182 1396 N C 1.153 176.668 175.510 0.009 0.000 1.088 1396 N CA -0.044 53.025 53.050 0.032 0.000 0.879 1396 N CB 0.309 38.826 38.487 0.049 0.000 0.983 1396 N HN 0.087 nan 8.380 nan 0.000 0.471 1397 I N 1.540 122.088 120.570 -0.037 0.000 2.099 1397 I HA -0.169 4.001 4.170 -0.000 0.000 0.239 1397 I C -0.767 175.295 176.117 -0.091 0.000 1.066 1397 I CA 1.404 62.642 61.300 -0.104 0.000 1.324 1397 I CB -1.131 36.787 38.000 -0.138 0.000 1.037 1397 I HN 0.025 nan 8.210 nan 0.000 0.401 1398 P HA -0.187 nan 4.420 nan 0.000 0.216 1398 P C 1.307 178.600 177.300 -0.011 0.000 1.150 1398 P CA 2.229 65.303 63.100 -0.043 0.000 0.843 1398 P CB -0.451 31.247 31.700 -0.003 0.000 0.787 1399 N N -0.997 117.712 118.700 0.014 0.000 2.080 1399 N HA -0.220 4.520 4.740 -0.000 0.000 0.189 1399 N C 1.668 177.194 175.510 0.026 0.000 1.036 1399 N CA 1.462 54.530 53.050 0.029 0.000 0.846 1399 N CB -1.745 36.768 38.487 0.043 0.000 1.015 1399 N HN 0.065 nan 8.380 nan 0.000 0.423 1400 F N 0.890 120.763 119.950 -0.128 0.000 2.126 1400 F HA 0.010 4.537 4.527 -0.000 0.000 0.299 1400 F C 2.106 177.768 175.800 -0.231 0.000 1.096 1400 F CA 1.334 59.229 58.000 -0.176 0.000 1.255 1400 F CB -0.021 38.833 39.000 -0.242 0.000 0.997 1400 F HN 0.217 nan 8.300 nan 0.000 0.479 1401 L N -0.100 121.042 121.223 -0.134 0.000 2.313 1401 L HA -0.089 4.251 4.340 -0.000 0.000 0.214 1401 L C 2.735 179.668 176.870 0.105 0.000 1.119 1401 L CA 1.054 55.695 54.840 -0.331 0.000 0.809 1401 L CB -1.168 40.314 42.059 -0.962 0.000 0.933 1401 L HN 0.142 nan 8.230 nan 0.000 0.449 1402 K N 0.782 121.226 120.400 0.072 0.000 2.057 1402 K HA -0.032 4.288 4.320 -0.000 0.000 0.206 1402 K C 2.086 178.731 176.600 0.076 0.000 1.050 1402 K CA 1.362 57.724 56.287 0.124 0.000 0.935 1402 K CB -1.634 30.907 32.500 0.067 0.000 0.715 1402 K HN 0.432 nan 8.250 nan 0.000 0.439 1403 G N 0.225 109.018 108.800 -0.011 0.000 2.534 1403 G HA2 0.173 4.133 3.960 -0.000 0.000 0.217 1403 G HA3 0.173 4.133 3.960 -0.000 0.000 0.217 1403 G C 1.093 175.973 174.900 -0.033 0.000 1.128 1403 G CA 0.641 45.716 45.100 -0.041 0.000 0.784 1403 G HN 0.525 nan 8.290 nan 0.000 0.542 1404 I N -0.248 120.322 120.570 0.001 0.000 4.202 1404 I HA 0.645 4.815 4.170 -0.000 0.000 0.242 1404 I C 0.635 176.852 176.117 0.167 0.000 1.483 1404 I CA -0.448 60.890 61.300 0.064 0.000 1.007 1404 I CB 0.650 38.684 38.000 0.058 0.000 1.638 1404 I HN 0.126 nan 8.210 nan 0.000 0.682 1405 E N 0.277 120.599 120.200 0.204 0.000 2.246 1405 E HA 0.274 4.624 4.350 -0.000 0.000 0.266 1405 E C 0.156 176.657 176.600 -0.164 0.000 0.880 1405 E CA -0.516 55.907 56.400 0.039 0.000 0.762 1405 E CB 1.119 30.822 29.700 0.004 0.000 1.180 1405 E HN 0.612 nan 8.360 nan 0.000 0.416 1406 E N 0.599 120.387 120.200 -0.688 0.000 2.086 1406 E HA -0.337 4.013 4.350 -0.000 0.000 0.205 1406 E C 2.647 178.941 176.600 -0.510 0.000 1.027 1406 E CA 2.423 58.031 56.400 -1.321 0.000 0.830 1406 E CB -0.122 28.971 29.700 -1.012 0.000 0.751 1406 E HN 0.675 nan 8.360 nan 0.000 0.456 1407 R N 0.135 120.481 120.500 -0.256 0.000 2.159 1407 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 1407 R C 2.093 178.402 176.300 0.015 0.000 1.131 1407 R CA 2.373 58.416 56.100 -0.095 0.000 0.982 1407 R CB -2.171 28.087 30.300 -0.070 0.000 0.868 1407 R HN 0.698 nan 8.270 nan 0.000 0.453 1408 H N -3.338 115.776 119.070 0.073 0.000 2.553 1408 H HA 0.178 4.734 4.556 -0.000 0.000 0.265 1408 H C 1.803 177.351 175.328 0.367 0.000 0.964 1408 H CA 0.536 56.695 56.048 0.184 0.000 1.156 1408 H CB -0.352 29.514 29.762 0.173 0.000 1.411 1408 H HN 0.644 nan 8.280 nan 0.000 0.558 1409 W N 1.661 123.029 121.300 0.113 0.000 2.364 1409 W HA -0.102 4.558 4.660 -0.000 0.000 0.281 1409 W C 2.239 178.886 176.519 0.214 0.000 1.219 1409 W CA 1.286 58.730 57.345 0.165 0.000 1.220 1409 W CB -0.971 28.537 29.460 0.080 0.000 1.127 1409 W HN 0.704 nan 8.180 nan 0.000 0.556 1410 D N -0.172 120.436 120.400 0.347 0.000 2.389 1410 D HA 0.086 4.726 4.640 -0.000 0.000 0.221 1410 D C 1.761 178.158 176.300 0.162 0.000 0.974 1410 D CA 1.260 55.390 54.000 0.215 0.000 0.923 1410 D CB -0.459 40.419 40.800 0.130 0.000 0.892 1410 D HN 0.199 nan 8.370 nan 0.000 0.518 1411 A N -1.470 121.466 122.820 0.194 0.000 2.327 1411 A HA 0.516 4.836 4.320 -0.000 0.000 0.228 1411 A C -0.150 177.226 177.584 -0.346 0.000 1.275 1411 A CA 0.064 52.072 52.037 -0.049 0.000 0.875 1411 A CB -0.175 18.779 19.000 -0.078 0.000 0.925 1411 A HN 0.512 nan 8.150 nan 0.000 0.493 1412 Y N -2.856 117.480 120.300 0.061 0.000 2.818 1412 Y HA 0.661 5.211 4.550 -0.000 0.000 0.322 1412 Y C 0.037 175.942 175.900 0.008 0.000 1.323 1412 Y CA -0.350 57.758 58.100 0.014 0.000 1.090 1412 Y CB 1.527 39.975 38.460 -0.019 0.000 1.328 1412 Y HN 0.176 nan 8.280 nan 0.000 0.482 1413 I N 0.798 121.469 120.570 0.169 0.000 2.680 1413 I HA 0.605 4.775 4.170 -0.000 0.000 0.291 1413 I C -2.254 173.902 176.117 0.065 0.000 1.244 1413 I CA -0.913 60.444 61.300 0.096 0.000 1.042 1413 I CB 1.451 39.485 38.000 0.056 0.000 1.277 1413 I HN 0.549 nan 8.210 nan 0.000 0.423 1414 L N 5.658 126.926 121.223 0.076 0.000 2.260 1414 L HA 0.822 5.162 4.340 -0.000 0.000 0.289 1414 L C -0.068 176.916 176.870 0.191 0.000 1.057 1414 L CA -0.248 54.625 54.840 0.055 0.000 0.811 1414 L CB 1.092 43.099 42.059 -0.088 0.000 1.184 1414 L HN 0.854 nan 8.230 nan 0.000 0.429 1415 M N 4.913 124.630 119.600 0.195 0.000 2.383 1415 M HA 0.406 4.886 4.480 -0.000 0.000 0.325 1415 M C -0.498 176.016 176.300 0.357 0.000 1.092 1415 M CA -0.645 54.793 55.300 0.230 0.000 0.961 1415 M CB 1.578 34.241 32.600 0.106 0.000 1.672 1415 M HN 0.751 nan 8.290 nan 0.000 0.438 1416 E N 3.195 123.620 120.200 0.374 0.000 2.338 1416 E HA 0.374 4.724 4.350 -0.000 0.000 0.272 1416 E C -1.612 175.022 176.600 0.057 0.000 1.029 1416 E CA -0.713 55.788 56.400 0.167 0.000 0.872 1416 E CB 1.140 30.905 29.700 0.109 0.000 1.015 1416 E HN 0.481 nan 8.360 nan 0.000 0.417 1417 L N 4.300 125.509 121.223 -0.023 0.000 2.343 1417 L HA 0.416 4.756 4.340 -0.000 0.000 0.275 1417 L C 0.243 177.113 176.870 -0.001 0.000 1.056 1417 L CA -0.594 54.256 54.840 0.017 0.000 0.804 1417 L CB 0.959 43.041 42.059 0.038 0.000 1.203 1417 L HN 0.650 nan 8.230 nan 0.000 0.440 1418 I N 2.275 122.861 120.570 0.026 0.000 2.304 1418 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 1418 I C -0.017 176.114 176.117 0.023 0.000 1.018 1418 I CA -0.321 60.995 61.300 0.027 0.000 1.260 1418 I CB 0.907 38.935 38.000 0.045 0.000 1.390 1418 I HN 0.546 nan 8.210 nan 0.000 0.475 1419 E N 8.510 128.718 120.200 0.014 0.000 2.261 1419 E HA 0.271 4.621 4.350 -0.000 0.000 0.239 1419 E C -2.313 174.300 176.600 0.022 0.000 0.991 1419 E CA -1.818 54.590 56.400 0.014 0.000 0.847 1419 E CB 0.477 30.179 29.700 0.003 0.000 1.223 1419 E HN 0.344 nan 8.360 nan 0.000 0.446 1420 P HA 0.033 nan 4.420 nan 0.000 0.269 1420 P C 0.034 177.354 177.300 0.033 0.000 1.209 1420 P CA 0.078 63.199 63.100 0.036 0.000 0.776 1420 P CB 0.545 32.267 31.700 0.037 0.000 0.876 1421 E N 3.163 123.387 120.200 0.041 0.000 2.265 1421 E HA 0.155 4.504 4.350 -0.000 0.000 0.272 1421 E C -0.416 176.203 176.600 0.030 0.000 1.067 1421 E CA -0.492 55.931 56.400 0.038 0.000 0.900 1421 E CB -0.189 29.546 29.700 0.058 0.000 1.017 1421 E HN 0.414 nan 8.360 nan 0.000 0.431 1422 L N 3.031 124.266 121.223 0.021 0.000 2.349 1422 L HA 0.235 4.575 4.340 -0.000 0.000 0.275 1422 L C 0.499 177.375 176.870 0.009 0.000 1.115 1422 L CA 0.004 54.855 54.840 0.018 0.000 0.820 1422 L CB 1.459 43.529 42.059 0.019 0.000 1.135 1422 L HN 0.782 nan 8.230 nan 0.000 0.445 1423 N N 2.913 121.620 118.700 0.011 0.000 2.437 1423 N HA 0.205 4.945 4.740 -0.000 0.000 0.259 1423 N C -0.238 175.277 175.510 0.008 0.000 0.983 1423 N CA -0.323 52.725 53.050 -0.002 0.000 0.937 1423 N CB 0.791 39.277 38.487 -0.002 0.000 1.122 1423 N HN 0.669 nan 8.380 nan 0.000 0.499 1424 E N 2.226 122.423 120.200 -0.005 0.000 2.538 1424 E HA 0.093 4.443 4.350 -0.000 0.000 0.207 1424 E C -0.408 176.187 176.600 -0.010 0.000 1.002 1424 E CA -0.131 56.273 56.400 0.007 0.000 0.952 1424 E CB 0.321 30.022 29.700 0.002 0.000 1.031 1424 E HN 0.540 nan 8.360 nan 0.000 0.476 1425 N N 1.515 120.193 118.700 -0.037 0.000 2.389 1425 N HA 0.109 4.849 4.740 -0.000 0.000 0.260 1425 N C -0.568 174.891 175.510 -0.085 0.000 1.191 1425 N CA 0.022 53.022 53.050 -0.083 0.000 0.885 1425 N CB 0.414 38.821 38.487 -0.134 0.000 1.162 1425 N HN 0.069 nan 8.380 nan 0.000 0.512 1426 N N 0.597 119.306 118.700 0.015 0.000 2.469 1426 N HA 0.540 5.280 4.740 -0.000 0.000 0.286 1426 N C -1.198 174.418 175.510 0.176 0.000 1.275 1426 N CA -0.371 52.745 53.050 0.110 0.000 0.790 1426 N CB 2.159 40.705 38.487 0.099 0.000 1.446 1426 N HN -0.103 nan 8.380 nan 0.000 0.501 1427 I N 1.701 122.424 120.570 0.254 0.000 2.533 1427 I HA 0.415 4.585 4.170 -0.000 0.000 0.290 1427 I C -0.367 175.871 176.117 0.202 0.000 1.056 1427 I CA -0.611 60.827 61.300 0.230 0.000 1.057 1427 I CB 2.189 40.329 38.000 0.234 0.000 1.240 1427 I HN 0.321 nan 8.210 nan 0.000 0.423 1428 I N 6.163 126.881 120.570 0.246 0.000 2.359 1428 I HA 0.295 4.465 4.170 -0.000 0.000 0.294 1428 I C -0.797 175.492 176.117 0.288 0.000 0.987 1428 I CA -0.745 60.685 61.300 0.218 0.000 1.225 1428 I CB 1.878 39.976 38.000 0.163 0.000 1.366 1428 I HN 0.305 nan 8.210 nan 0.000 0.466 1429 L N 8.161 129.502 121.223 0.198 0.000 2.280 1429 L HA 0.527 4.867 4.340 -0.000 0.000 0.287 1429 L C -0.525 176.457 176.870 0.186 0.000 1.023 1429 L CA -0.041 54.914 54.840 0.192 0.000 0.819 1429 L CB 0.752 42.886 42.059 0.125 0.000 1.212 1429 L HN 0.567 nan 8.230 nan 0.000 0.420 1430 R N 4.275 124.926 120.500 0.252 0.000 2.515 1430 R HA 0.286 4.626 4.340 -0.000 0.000 0.291 1430 R C -1.054 175.372 176.300 0.209 0.000 1.046 1430 R CA -0.387 55.839 56.100 0.210 0.000 0.914 1430 R CB 1.040 31.465 30.300 0.210 0.000 1.191 1430 R HN 0.785 nan 8.270 nan 0.000 0.435 1431 D N 3.514 124.000 120.400 0.144 0.000 2.701 1431 D HA -0.271 4.369 4.640 -0.000 0.000 0.235 1431 D C -0.578 175.787 176.300 0.107 0.000 1.155 1431 D CA 1.240 55.312 54.000 0.121 0.000 0.649 1431 D CB -0.790 40.086 40.800 0.128 0.000 1.050 1431 D HN 0.938 nan 8.370 nan 0.000 0.425 1432 N N -0.519 118.239 118.700 0.098 0.000 2.740 1432 N HA -0.228 4.512 4.740 -0.000 0.000 0.248 1432 N C -0.847 174.694 175.510 0.052 0.000 1.062 1432 N CA 1.137 54.229 53.050 0.070 0.000 0.704 1432 N CB -0.351 38.167 38.487 0.052 0.000 0.968 1432 N HN 0.486 nan 8.380 nan 0.000 0.547 1433 K N 0.507 120.950 120.400 0.072 0.000 2.507 1433 K HA 0.293 4.613 4.320 -0.000 0.000 0.251 1433 K C -0.419 176.148 176.600 -0.056 0.000 0.943 1433 K CA -0.603 55.659 56.287 -0.042 0.000 0.794 1433 K CB 1.750 34.222 32.500 -0.047 0.000 1.188 1433 K HN 0.170 nan 8.250 nan 0.000 0.428 1434 S N 1.817 117.419 115.700 -0.163 0.000 2.525 1434 S HA 0.540 5.010 4.470 -0.000 0.000 0.290 1434 S C -0.850 173.617 174.600 -0.221 0.000 1.152 1434 S CA -0.662 57.514 58.200 -0.040 0.000 1.072 1434 S CB 0.459 63.668 63.200 0.015 0.000 1.027 1434 S HN 0.426 nan 8.310 nan 0.000 0.500 1435 Y N 0.243 120.627 120.300 0.140 0.000 2.350 1435 Y HA 0.455 5.004 4.550 -0.000 0.000 0.338 1435 Y C 0.685 176.685 175.900 0.166 0.000 0.961 1435 Y CA -0.955 57.233 58.100 0.148 0.000 1.100 1435 Y CB 1.881 40.492 38.460 0.252 0.000 1.179 1435 Y HN 0.744 nan 8.280 nan 0.000 0.454 1436 N N 2.905 121.737 118.700 0.221 0.000 2.908 1436 N HA 0.194 4.934 4.740 -0.000 0.000 0.316 1436 N C -1.039 174.567 175.510 0.159 0.000 1.619 1436 N CA -0.259 52.892 53.050 0.169 0.000 1.045 1436 N CB -0.109 38.434 38.487 0.095 0.000 1.357 1436 N HN 0.569 nan 8.380 nan 0.000 0.501 1437 E N 0.677 121.021 120.200 0.240 0.000 2.222 1437 E HA 0.489 4.838 4.350 -0.000 0.000 0.267 1437 E C -2.483 174.243 176.600 0.211 0.000 0.963 1437 E CA -2.229 54.293 56.400 0.204 0.000 0.837 1437 E CB 1.206 31.028 29.700 0.204 0.000 1.183 1437 E HN 0.359 nan 8.360 nan 0.000 0.403 1438 P HA 0.126 nan 4.420 nan 0.000 0.269 1438 P C -0.453 176.926 177.300 0.131 0.000 1.209 1438 P CA 0.234 63.398 63.100 0.106 0.000 0.776 1438 P CB 0.302 32.044 31.700 0.071 0.000 0.876 1439 I N 0.129 120.743 120.570 0.073 0.000 2.730 1439 I HA 0.605 4.775 4.170 -0.000 0.000 0.298 1439 I C -0.812 175.310 176.117 0.010 0.000 1.089 1439 I CA -1.407 59.910 61.300 0.029 0.000 1.041 1439 I CB 2.408 40.391 38.000 -0.029 0.000 1.235 1439 I HN 0.222 nan 8.210 nan 0.000 0.423 1440 I N 3.933 124.500 120.570 -0.005 0.000 2.359 1440 I HA 0.529 4.699 4.170 -0.000 0.000 0.294 1440 I C -0.703 175.405 176.117 -0.016 0.000 0.987 1440 I CA 0.044 61.345 61.300 0.001 0.000 1.225 1440 I CB 1.645 39.650 38.000 0.008 0.000 1.366 1440 I HN 0.735 nan 8.210 nan 0.000 0.466 1441 S N 5.772 121.474 115.700 0.003 0.000 2.503 1441 S HA 0.415 4.885 4.470 -0.000 0.000 0.301 1441 S C -0.836 173.778 174.600 0.023 0.000 1.087 1441 S CA -0.617 57.585 58.200 0.004 0.000 1.042 1441 S CB 1.633 64.844 63.200 0.018 0.000 1.043 1441 S HN 0.680 nan 8.310 nan 0.000 0.489 1442 E N 1.735 121.942 120.200 0.012 0.000 2.165 1442 E HA 0.386 4.736 4.350 -0.000 0.000 0.266 1442 E C -1.366 175.262 176.600 0.047 0.000 0.889 1442 E CA -0.738 55.678 56.400 0.026 0.000 0.756 1442 E CB 0.920 30.614 29.700 -0.010 0.000 1.131 1442 E HN 0.420 nan 8.360 nan 0.000 0.411 1443 L N 4.319 125.605 121.223 0.105 0.000 2.278 1443 L HA 0.520 4.860 4.340 -0.000 0.000 0.287 1443 L C -0.144 176.811 176.870 0.141 0.000 1.072 1443 L CA 0.163 55.091 54.840 0.147 0.000 0.819 1443 L CB 0.925 43.103 42.059 0.199 0.000 1.176 1443 L HN 0.496 nan 8.230 nan 0.000 0.435 1444 G N 6.323 115.154 108.800 0.050 0.000 2.356 1444 G HA2 0.604 4.564 3.960 -0.000 0.000 0.322 1444 G HA3 0.604 4.564 3.960 -0.000 0.000 0.322 1444 G C -0.870 173.983 174.900 -0.077 0.000 1.125 1444 G CA -0.527 44.521 45.100 -0.087 0.000 0.885 1444 G HN 0.510 nan 8.290 nan 0.000 0.467 1445 I N 2.246 122.770 120.570 -0.076 0.000 2.410 1445 I HA 0.248 4.418 4.170 -0.000 0.000 0.286 1445 I C -0.710 175.359 176.117 -0.080 0.000 1.009 1445 I CA -1.121 60.215 61.300 0.060 0.000 1.111 1445 I CB 1.153 39.323 38.000 0.283 0.000 1.262 1445 I HN 0.418 nan 8.210 nan 0.000 0.443 1446 Y N 3.880 124.198 120.300 0.030 0.000 2.301 1446 Y HA 0.584 5.134 4.550 -0.000 0.000 0.328 1446 Y C 1.205 177.082 175.900 -0.039 0.000 1.242 1446 Y CA -0.024 58.050 58.100 -0.044 0.000 1.323 1446 Y CB 1.363 39.758 38.460 -0.108 0.000 1.266 1446 Y HN 0.637 nan 8.280 nan 0.000 0.527 1447 G N 0.048 108.952 108.800 0.173 0.000 2.706 1447 G HA2 0.465 4.425 3.960 -0.000 0.000 0.297 1447 G HA3 0.465 4.425 3.960 -0.000 0.000 0.297 1447 G C -2.125 172.783 174.900 0.013 0.000 1.403 1447 G CA -0.691 44.496 45.100 0.145 0.000 0.954 1447 G HN 0.856 nan 8.290 nan 0.000 0.500 1448 C N 1.433 120.711 119.300 -0.037 0.000 2.455 1448 C HA 0.868 5.328 4.460 -0.000 0.000 0.320 1448 C C -0.657 174.276 174.990 -0.095 0.000 1.226 1448 C CA -0.485 58.446 59.018 -0.144 0.000 1.569 1448 C CB 0.609 28.262 27.740 -0.145 0.000 2.200 1448 C HN 0.970 nan 8.230 nan 0.000 0.491 1449 V N 7.378 127.204 119.914 -0.147 0.000 2.668 1449 V HA 0.668 4.788 4.120 -0.000 0.000 0.304 1449 V C -1.415 174.736 176.094 0.094 0.000 1.071 1449 V CA -0.430 61.880 62.300 0.016 0.000 0.894 1449 V CB 1.775 33.657 31.823 0.097 0.000 1.008 1449 V HN 0.958 nan 8.190 nan 0.000 0.425 1450 L N 8.732 130.007 121.223 0.087 0.000 2.313 1450 L HA 0.938 5.278 4.340 -0.000 0.000 0.283 1450 L C -0.924 175.988 176.870 0.070 0.000 1.013 1450 L CA -0.048 54.789 54.840 -0.005 0.000 0.816 1450 L CB 1.270 43.292 42.059 -0.061 0.000 1.236 1450 L HN 0.694 nan 8.230 nan 0.000 0.419 1451 F N 2.739 122.587 119.950 -0.170 0.000 2.668 1451 F HA 0.719 5.246 4.527 -0.000 0.000 0.309 1451 F C -0.759 174.877 175.800 -0.273 0.000 1.117 1451 F CA -0.978 56.896 58.000 -0.209 0.000 0.951 1451 F CB 0.803 39.757 39.000 -0.078 0.000 1.323 1451 F HN 0.549 nan 8.300 nan 0.000 0.451 1452 N N -0.820 117.776 118.700 -0.172 0.000 3.040 1452 N HA 0.304 5.044 4.740 -0.000 0.000 0.339 1452 N C 0.073 175.648 175.510 0.108 0.000 1.387 1452 N CA -0.148 52.803 53.050 -0.167 0.000 0.745 1452 N CB -0.216 38.107 38.487 -0.273 0.000 1.237 1452 N HN 0.602 nan 8.380 nan 0.000 0.565 1453 D N -1.112 119.348 120.400 0.100 0.000 2.178 1453 D HA -0.053 4.587 4.640 -0.000 0.000 0.202 1453 D C 0.836 177.210 176.300 0.123 0.000 0.974 1453 D CA 2.073 56.153 54.000 0.133 0.000 0.841 1453 D CB 0.054 40.921 40.800 0.111 0.000 0.953 1453 D HN 0.815 nan 8.370 nan 0.000 0.478 1454 E N 0.084 120.338 120.200 0.091 0.000 2.639 1454 E HA 0.144 4.494 4.350 -0.000 0.000 0.225 1454 E C 0.622 177.253 176.600 0.052 0.000 0.921 1454 E CA -0.102 56.340 56.400 0.069 0.000 1.184 1454 E CB 0.516 30.248 29.700 0.053 0.000 1.160 1454 E HN 0.183 nan 8.360 nan 0.000 0.547 1455 Q N -0.857 118.972 119.800 0.047 0.000 2.484 1455 Q HA 0.690 5.030 4.340 -0.000 0.000 0.285 1455 Q C -1.154 174.874 176.000 0.046 0.000 1.097 1455 Q CA -1.085 54.734 55.803 0.027 0.000 0.802 1455 Q CB 3.064 31.803 28.738 0.001 0.000 1.444 1455 Q HN 0.156 nan 8.270 nan 0.000 0.429 1456 V N 2.713 122.647 119.914 0.034 0.000 2.370 1456 V HA 0.180 4.300 4.120 -0.000 0.000 0.283 1456 V C 0.551 176.653 176.094 0.014 0.000 1.023 1456 V CA -0.063 62.272 62.300 0.058 0.000 0.857 1456 V CB 1.015 32.860 31.823 0.037 0.000 0.985 1456 V HN 0.702 nan 8.190 nan 0.000 0.443 1457 L N 2.964 124.177 121.223 -0.017 0.000 2.298 1457 L HA 0.283 4.623 4.340 -0.000 0.000 0.209 1457 L C 0.978 177.846 176.870 -0.003 0.000 1.084 1457 L CA 0.825 55.641 54.840 -0.040 0.000 0.816 1457 L CB 0.212 42.196 42.059 -0.125 0.000 0.967 1457 L HN 0.623 nan 8.230 nan 0.000 0.460 1458 S N -0.220 115.487 115.700 0.011 0.000 2.572 1458 S HA 0.488 4.958 4.470 -0.000 0.000 0.274 1458 S C -1.484 173.137 174.600 0.035 0.000 1.150 1458 S CA -0.658 57.552 58.200 0.016 0.000 0.944 1458 S CB 1.151 64.347 63.200 -0.007 0.000 1.071 1458 S HN 0.147 nan 8.310 nan 0.000 0.479 1459 N N 3.324 122.050 118.700 0.045 0.000 2.558 1459 N HA 0.338 5.078 4.740 -0.000 0.000 0.285 1459 N C -1.645 173.914 175.510 0.082 0.000 1.112 1459 N CA -0.295 52.796 53.050 0.068 0.000 0.857 1459 N CB 1.324 39.858 38.487 0.078 0.000 1.376 1459 N HN 0.721 nan 8.380 nan 0.000 0.526 1460 E N 1.849 122.098 120.200 0.083 0.000 2.343 1460 E HA 0.251 4.600 4.350 -0.000 0.000 0.270 1460 E C -0.876 175.821 176.600 0.162 0.000 0.895 1460 E CA -0.854 55.615 56.400 0.114 0.000 0.767 1460 E CB 2.103 31.839 29.700 0.059 0.000 1.248 1460 E HN 0.410 nan 8.360 nan 0.000 0.440 1461 F N 1.074 121.076 119.950 0.086 0.000 2.429 1461 F HA 0.188 4.715 4.527 -0.000 0.000 0.348 1461 F C 0.276 176.141 175.800 0.108 0.000 1.109 1461 F CA 0.197 58.260 58.000 0.104 0.000 1.232 1461 F CB 0.909 39.957 39.000 0.081 0.000 1.157 1461 F HN 0.219 nan 8.300 nan 0.000 0.564 1462 S N 3.417 118.649 115.700 -0.779 0.000 2.952 1462 S HA 0.565 5.035 4.470 -0.000 0.000 0.251 1462 S C 0.005 174.269 174.600 -0.559 0.000 1.021 1462 S CA -0.042 57.831 58.200 -0.544 0.000 1.067 1462 S CB -0.167 62.904 63.200 -0.216 0.000 1.002 1462 S HN 1.360 nan 8.310 nan 0.000 0.574 1463 G N 1.581 109.720 108.800 -1.101 0.000 2.371 1463 G HA2 0.205 4.165 3.960 -0.000 0.000 0.663 1463 G HA3 0.205 4.165 3.960 -0.000 0.000 0.663 1463 G C -0.739 174.279 174.900 0.196 0.000 1.311 1463 G CA -0.406 44.549 45.100 -0.242 0.000 0.985 1463 G HN 0.768 nan 8.290 nan 0.000 0.566 1464 S N -1.432 114.515 115.700 0.411 0.000 2.667 1464 S HA 0.929 5.399 4.470 -0.000 0.000 0.292 1464 S C -0.959 173.857 174.600 0.361 0.000 1.126 1464 S CA -0.359 58.085 58.200 0.407 0.000 0.881 1464 S CB 2.389 65.918 63.200 0.548 0.000 1.132 1464 S HN 2.269 nan 8.310 nan 0.000 0.492 1465 L N 0.398 121.753 121.223 0.220 0.000 2.466 1465 L HA 0.862 5.202 4.340 -0.000 0.000 0.258 1465 L C -2.339 174.596 176.870 0.108 0.000 0.973 1465 L CA -0.703 54.240 54.840 0.173 0.000 0.826 1465 L CB 2.063 44.185 42.059 0.104 0.000 1.372 1465 L HN 0.863 nan 8.230 nan 0.000 0.409 1466 L N 3.914 125.181 121.223 0.072 0.000 2.441 1466 L HA 0.666 5.006 4.340 -0.000 0.000 0.270 1466 L C -1.208 175.651 176.870 -0.018 0.000 0.973 1466 L CA -0.183 54.683 54.840 0.044 0.000 0.842 1466 L CB 1.375 43.471 42.059 0.062 0.000 1.239 1466 L HN 0.685 nan 8.230 nan 0.000 0.406 1467 R N 3.367 123.839 120.500 -0.047 0.000 2.589 1467 R HA 0.836 5.175 4.340 -0.000 0.000 0.293 1467 R C -0.800 175.447 176.300 -0.088 0.000 0.963 1467 R CA -0.830 55.206 56.100 -0.107 0.000 0.905 1467 R CB 1.930 32.143 30.300 -0.144 0.000 1.144 1467 R HN 0.563 nan 8.270 nan 0.000 0.459 1468 S N 1.145 116.772 115.700 -0.121 0.000 2.599 1468 S HA 0.614 5.084 4.470 -0.000 0.000 0.294 1468 S C -0.952 173.518 174.600 -0.216 0.000 1.094 1468 S CA -0.970 57.151 58.200 -0.130 0.000 0.931 1468 S CB 2.165 65.299 63.200 -0.109 0.000 1.093 1468 S HN 0.665 nan 8.310 nan 0.000 0.488 1469 K N 0.173 120.432 120.400 -0.236 0.000 2.579 1469 K HA 0.536 4.856 4.320 -0.000 0.000 0.284 1469 K C -1.286 175.134 176.600 -0.301 0.000 0.990 1469 K CA -0.892 55.180 56.287 -0.357 0.000 0.880 1469 K CB 0.518 32.905 32.500 -0.187 0.000 1.488 1469 K HN 0.390 nan 8.250 nan 0.000 0.425 1484 C N -0.021 119.145 119.300 -0.224 0.000 3.275 1484 C HA 0.788 5.248 4.460 -0.000 0.000 0.340 1484 C C -0.731 174.139 174.990 -0.200 0.000 1.366 1484 C CA -1.229 57.676 59.018 -0.188 0.000 1.227 1484 C CB 0.403 28.053 27.740 -0.149 0.000 1.512 1484 C HN 0.930 nan 8.230 nan 0.000 0.461 1485 L N 2.237 123.354 121.223 -0.176 0.000 2.349 1485 L HA 0.559 4.899 4.340 -0.000 0.000 0.275 1485 L C 0.120 176.950 176.870 -0.066 0.000 1.115 1485 L CA 0.679 55.425 54.840 -0.158 0.000 0.820 1485 L CB 0.628 42.599 42.059 -0.146 0.000 1.135 1485 L HN 0.758 nan 8.230 nan 0.000 0.445 1486 D N 0.428 120.808 120.400 -0.033 0.000 2.614 1486 D HA 0.598 5.238 4.640 -0.000 0.000 0.264 1486 D C -1.031 175.309 176.300 0.066 0.000 1.092 1486 D CA -0.197 53.839 54.000 0.059 0.000 1.071 1486 D CB 2.383 43.206 40.800 0.038 0.000 1.443 1486 D HN 0.490 nan 8.370 nan 0.000 0.528 1487 S N -0.385 115.413 115.700 0.163 0.000 2.667 1487 S HA 0.742 5.212 4.470 -0.000 0.000 0.292 1487 S C -0.668 173.975 174.600 0.072 0.000 1.126 1487 S CA -0.770 57.506 58.200 0.127 0.000 0.881 1487 S CB 0.999 64.345 63.200 0.243 0.000 1.132 1487 S HN 0.368 nan 8.310 nan 0.000 0.492 1488 I N 1.518 122.092 120.570 0.006 0.000 2.377 1488 I HA 0.519 4.689 4.170 -0.000 0.000 0.293 1488 I C -1.002 175.032 176.117 -0.139 0.000 0.987 1488 I CA -0.808 60.452 61.300 -0.067 0.000 1.185 1488 I CB 1.674 39.598 38.000 -0.126 0.000 1.341 1488 I HN 0.611 nan 8.210 nan 0.000 0.455 1489 I N 7.473 127.960 120.570 -0.139 0.000 2.410 1489 I HA 0.395 4.565 4.170 -0.000 0.000 0.286 1489 I C -0.691 175.391 176.117 -0.058 0.000 1.009 1489 I CA -0.268 60.931 61.300 -0.168 0.000 1.111 1489 I CB 0.919 38.739 38.000 -0.300 0.000 1.262 1489 I HN 0.388 nan 8.210 nan 0.000 0.443 1490 L N 8.355 129.526 121.223 -0.088 0.000 2.395 1490 L HA 0.421 4.761 4.340 -0.000 0.000 0.269 1490 L C -0.571 176.348 176.870 0.083 0.000 1.133 1490 L CA -0.461 54.346 54.840 -0.056 0.000 0.812 1490 L CB 0.603 42.570 42.059 -0.153 0.000 1.125 1490 L HN 0.693 nan 8.230 nan 0.000 0.452 1491 Y N 0.000 120.273 120.300 -0.045 0.000 2.660 1491 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 1491 Y CA 0.000 58.085 58.100 -0.024 0.000 1.940 1491 Y CB 0.000 38.448 38.460 -0.021 0.000 1.050 1491 Y HN 0.000 nan 8.280 nan 0.000 0.758