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 1yvy_1_B DATA FIRST_RESID 1002 DATA SEQUENCE SLSESLAKYG ITGATNIVHN PSHEELFAAE TQASLEGFEK GTVTEMGAVN DATA SEQUENCE VMTGVYTGRS PKDKFIVKNE ASKEIWWTSD EFKNDNKPVT EEAWAQLKAL DATA SEQUENCE AGKELSNKPL YVVDLFCGAN ENTRLKIRFV MEVAWQAHFV TNMFIRPTEE DATA SEQUENCE ELKGFEPDFV VLNASKAKVE NFKELGLNSE TAVVFNLAEK MQIILNTWYG DATA SEQUENCE GEMKKGMFSM MNFYLPLQGI AAMHCSANTD LEGKNTAIFF GLSGTGKTTL DATA SEQUENCE STDPKRLLIG DDEHGWDDDG VFNFEGGCYA KVINLSKENE PDIWGAIKRN DATA SEQUENCE ALLENVTVDA NGKVDFADKS VTENTRVSYP IFHIKNIVKP VSKAPAAKRV DATA SEQUENCE IFLSADAFGV LPPVSILSKE QTKYYFLSGF TAXXXXXXXX XXXXXPTFSS DATA SEQUENCE CFGAAFLTLP PTKYAEVLVK RMEASGAKAY LVNTGWNGTG KRISIKDTRG DATA SEQUENCE IIDAILDGSI DTANTATIPY FNFTVPTELK GVDTKILDPR NTYADASEWE DATA SEQUENCE VKAKDLAERF QKNFKKF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1002 S HA 0.000 nan 4.470 nan 0.000 0.327 1002 S C 0.000 174.576 174.600 -0.040 0.000 1.055 1002 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 1002 S CB 0.000 63.186 63.200 -0.024 0.000 0.593 1003 L N 2.701 123.903 121.223 -0.036 0.000 2.042 1003 L HA 0.064 4.404 4.340 0.001 0.000 0.210 1003 L C 2.078 178.929 176.870 -0.031 0.000 1.076 1003 L CA 2.450 57.282 54.840 -0.013 0.000 0.749 1003 L CB -1.487 40.564 42.059 -0.013 0.000 0.893 1003 L HN 0.538 nan 8.230 nan 0.000 0.432 1004 S N -0.096 115.578 115.700 -0.043 0.000 2.428 1004 S HA -0.109 4.362 4.470 0.001 0.000 0.230 1004 S C 2.064 176.612 174.600 -0.088 0.000 1.014 1004 S CA 1.109 59.276 58.200 -0.054 0.000 0.957 1004 S CB -0.155 63.018 63.200 -0.044 0.000 0.784 1004 S HN 0.696 nan 8.310 nan 0.000 0.499 1005 E N 1.431 121.576 120.200 -0.091 0.000 2.072 1005 E HA -0.043 4.308 4.350 0.001 0.000 0.190 1005 E C 2.077 178.562 176.600 -0.193 0.000 0.982 1005 E CA 1.446 57.779 56.400 -0.111 0.000 0.803 1005 E CB -1.120 28.532 29.700 -0.080 0.000 0.755 1005 E HN 0.486 nan 8.360 nan 0.000 0.453 1006 S N 0.335 115.896 115.700 -0.232 0.000 2.368 1006 S HA -0.026 4.445 4.470 0.001 0.000 0.225 1006 S C 2.139 176.181 174.600 -0.930 0.000 1.030 1006 S CA 1.126 59.041 58.200 -0.475 0.000 0.999 1006 S CB -0.296 62.739 63.200 -0.275 0.000 0.844 1006 S HN 0.483 nan 8.310 nan 0.000 0.459 1007 L N 1.130 122.054 121.223 -0.498 0.000 2.079 1007 L HA -0.186 4.155 4.340 0.001 0.000 0.210 1007 L C 2.754 179.461 176.870 -0.272 0.000 1.081 1007 L CA 1.258 55.915 54.840 -0.305 0.000 0.752 1007 L CB -0.722 41.308 42.059 -0.048 0.000 0.896 1007 L HN 0.336 nan 8.230 nan 0.000 0.433 1008 A N 0.421 123.103 122.820 -0.230 0.000 1.972 1008 A HA -0.234 4.087 4.320 0.001 0.000 0.219 1008 A C 2.599 180.082 177.584 -0.168 0.000 1.169 1008 A CA 2.224 54.172 52.037 -0.149 0.000 0.635 1008 A CB -0.607 18.324 19.000 -0.115 0.000 0.810 1008 A HN 0.397 nan 8.150 nan 0.000 0.446 1009 K N -1.367 118.851 120.400 -0.304 0.000 2.217 1009 K HA -0.032 4.288 4.320 0.001 0.000 0.202 1009 K C 1.490 178.041 176.600 -0.082 0.000 1.051 1009 K CA 1.260 57.414 56.287 -0.222 0.000 0.952 1009 K CB -0.903 31.431 32.500 -0.277 0.000 0.736 1009 K HN 0.658 nan 8.250 nan 0.000 0.453 1010 Y N -0.085 120.209 120.300 -0.012 0.000 2.490 1010 Y HA 0.353 4.903 4.550 0.000 0.000 0.281 1010 Y C 1.816 177.695 175.900 -0.036 0.000 1.174 1010 Y CA -0.456 57.633 58.100 -0.018 0.000 1.295 1010 Y CB -0.487 37.957 38.460 -0.026 0.000 1.062 1010 Y HN 0.380 nan 8.280 nan 0.000 0.522 1011 G N 0.500 109.332 108.800 0.052 0.000 2.132 1011 G HA2 -0.264 3.696 3.960 0.001 0.000 0.234 1011 G HA3 -0.264 3.696 3.960 0.001 0.000 0.234 1011 G C -0.110 174.789 174.900 -0.002 0.000 0.989 1011 G CA -0.076 45.029 45.100 0.007 0.000 0.676 1011 G HN 0.314 nan 8.290 nan 0.000 0.522 1012 I N 1.971 122.544 120.570 0.006 0.000 2.362 1012 I HA 0.595 4.766 4.170 0.001 0.000 0.289 1012 I C 0.361 176.463 176.117 -0.025 0.000 0.994 1012 I CA -0.254 61.046 61.300 0.001 0.000 1.158 1012 I CB 1.959 39.982 38.000 0.039 0.000 1.315 1012 I HN 0.246 nan 8.210 nan 0.000 0.451 1013 T N 0.748 115.288 114.554 -0.024 0.000 2.916 1013 T HA 0.667 5.018 4.350 0.001 0.000 0.305 1013 T C 0.333 175.018 174.700 -0.024 0.000 1.119 1013 T CA -0.243 61.839 62.100 -0.030 0.000 1.008 1013 T CB 1.909 70.758 68.868 -0.032 0.000 1.129 1013 T HN 0.983 nan 8.240 nan 0.000 0.480 1014 G N 0.602 109.387 108.800 -0.026 0.000 2.144 1014 G HA2 0.155 4.115 3.960 0.001 0.000 0.218 1014 G HA3 0.155 4.115 3.960 0.001 0.000 0.218 1014 G C 0.381 175.267 174.900 -0.024 0.000 0.988 1014 G CA -0.177 44.910 45.100 -0.023 0.000 0.659 1014 G HN 1.690 nan 8.290 nan 0.000 0.522 1015 A N 0.974 123.779 122.820 -0.025 0.000 2.540 1015 A HA 0.487 4.807 4.320 0.001 0.000 0.264 1015 A C 1.835 179.399 177.584 -0.033 0.000 1.080 1015 A CA 1.816 53.836 52.037 -0.029 0.000 0.776 1015 A CB -0.156 18.828 19.000 -0.026 0.000 1.011 1015 A HN 1.657 nan 8.150 nan 0.000 0.514 1016 T N 0.538 115.071 114.554 -0.036 0.000 2.857 1016 T HA -0.011 4.340 4.350 0.001 0.000 0.266 1016 T C 0.704 175.378 174.700 -0.043 0.000 1.048 1016 T CA 1.243 63.322 62.100 -0.035 0.000 1.139 1016 T CB -0.244 68.605 68.868 -0.033 0.000 0.874 1016 T HN 0.727 nan 8.240 nan 0.000 0.455 1017 N N -0.708 117.955 118.700 -0.061 0.000 2.405 1017 N HA 0.523 5.264 4.740 0.001 0.000 0.274 1017 N C -2.201 173.249 175.510 -0.099 0.000 1.170 1017 N CA -0.900 52.106 53.050 -0.074 0.000 0.848 1017 N CB 1.700 40.136 38.487 -0.086 0.000 1.629 1017 N HN 0.264 nan 8.380 nan 0.000 0.481 1018 I N 2.136 122.658 120.570 -0.081 0.000 2.500 1018 I HA 0.318 4.488 4.170 0.001 0.000 0.286 1018 I C -0.819 175.269 176.117 -0.049 0.000 1.063 1018 I CA -1.027 60.230 61.300 -0.071 0.000 1.062 1018 I CB 2.013 40.004 38.000 -0.015 0.000 1.223 1018 I HN 0.198 nan 8.210 nan 0.000 0.435 1019 V N 5.489 125.344 119.914 -0.097 0.000 2.385 1019 V HA 0.213 4.334 4.120 0.001 0.000 0.269 1019 V C 0.113 176.264 176.094 0.094 0.000 1.043 1019 V CA -0.375 61.922 62.300 -0.005 0.000 0.906 1019 V CB 0.825 32.634 31.823 -0.023 0.000 0.995 1019 V HN 0.606 nan 8.190 nan 0.000 0.467 1020 H N 5.646 124.721 119.070 0.008 0.000 2.519 1020 H HA 0.249 4.806 4.556 0.001 0.000 0.316 1020 H C 0.356 175.681 175.328 -0.005 0.000 1.065 1020 H CA -0.472 55.574 56.048 -0.004 0.000 1.264 1020 H CB 0.616 30.363 29.762 -0.025 0.000 1.413 1020 H HN 0.802 nan 8.280 nan 0.000 0.465 1021 N N 3.915 122.419 118.700 -0.327 0.000 2.678 1021 N HA -0.163 4.578 4.740 0.001 0.000 0.268 1021 N C -2.551 172.923 175.510 -0.059 0.000 1.010 1021 N CA 0.402 53.322 53.050 -0.215 0.000 0.784 1021 N CB -0.545 37.790 38.487 -0.253 0.000 0.905 1021 N HN 0.543 nan 8.380 nan 0.000 0.552 1022 P HA 0.095 nan 4.420 nan 0.000 0.271 1022 P C 0.125 177.401 177.300 -0.041 0.000 1.218 1022 P CA -0.305 62.806 63.100 0.019 0.000 0.780 1022 P CB 0.820 32.572 31.700 0.086 0.000 0.901 1023 S N 1.566 117.257 115.700 -0.015 0.000 2.608 1023 S HA 0.064 4.534 4.470 0.001 0.000 0.261 1023 S C 1.380 175.953 174.600 -0.044 0.000 1.314 1023 S CA -0.239 57.939 58.200 -0.036 0.000 0.992 1023 S CB -0.007 63.212 63.200 0.032 0.000 0.935 1023 S HN 0.435 nan 8.310 nan 0.000 0.564 1024 H N 1.880 120.968 119.070 0.031 0.000 2.267 1024 H HA -0.092 4.464 4.556 0.001 0.000 0.297 1024 H C 2.414 177.748 175.328 0.009 0.000 1.080 1024 H CA 2.135 58.177 56.048 -0.010 0.000 1.278 1024 H CB -0.530 29.270 29.762 0.062 0.000 1.365 1024 H HN 0.899 nan 8.280 nan 0.000 0.489 1025 E N 1.109 121.415 120.200 0.178 0.000 2.171 1025 E HA -0.244 4.107 4.350 0.001 0.000 0.197 1025 E C 1.933 178.633 176.600 0.167 0.000 0.997 1025 E CA 1.462 57.942 56.400 0.132 0.000 0.810 1025 E CB -0.416 29.331 29.700 0.078 0.000 0.738 1025 E HN 0.632 nan 8.360 nan 0.000 0.467 1026 E N 0.774 121.047 120.200 0.122 0.000 2.107 1026 E HA -0.064 4.286 4.350 0.001 0.000 0.191 1026 E C 2.395 179.065 176.600 0.116 0.000 0.982 1026 E CA 0.427 56.897 56.400 0.117 0.000 0.809 1026 E CB 0.003 29.757 29.700 0.091 0.000 0.756 1026 E HN 0.274 nan 8.360 nan 0.000 0.459 1027 L N 0.202 121.461 121.223 0.061 0.000 2.141 1027 L HA -0.104 4.237 4.340 0.001 0.000 0.209 1027 L C 2.287 179.183 176.870 0.043 0.000 1.094 1027 L CA 0.719 55.550 54.840 -0.015 0.000 0.763 1027 L CB -0.379 41.561 42.059 -0.199 0.000 0.908 1027 L HN 0.225 nan 8.230 nan 0.000 0.437 1028 F N 0.931 120.859 119.950 -0.036 0.000 2.046 1028 F HA -0.288 4.240 4.527 0.000 0.000 0.297 1028 F C 2.475 178.308 175.800 0.056 0.000 1.123 1028 F CA 1.563 59.577 58.000 0.023 0.000 1.199 1028 F CB -0.376 38.644 39.000 0.033 0.000 0.972 1028 F HN 0.003 nan 8.300 nan 0.000 0.474 1029 A N 0.433 123.359 122.820 0.177 0.000 1.908 1029 A HA -0.117 4.203 4.320 0.001 0.000 0.218 1029 A C 2.398 179.984 177.584 0.004 0.000 1.181 1029 A CA 2.090 54.169 52.037 0.070 0.000 0.627 1029 A CB -1.660 17.437 19.000 0.161 0.000 0.818 1029 A HN 0.572 nan 8.150 nan 0.000 0.445 1030 A N 0.670 123.526 122.820 0.061 0.000 1.902 1030 A HA -0.181 4.139 4.320 0.001 0.000 0.217 1030 A C 1.987 179.610 177.584 0.065 0.000 1.181 1030 A CA 1.731 53.829 52.037 0.101 0.000 0.623 1030 A CB -0.619 18.493 19.000 0.187 0.000 0.818 1030 A HN 0.796 nan 8.150 nan 0.000 0.443 1031 E N -0.316 119.895 120.200 0.018 0.000 2.285 1031 E HA -0.094 4.256 4.350 0.001 0.000 0.194 1031 E C 1.207 177.793 176.600 -0.023 0.000 0.997 1031 E CA 1.308 57.743 56.400 0.058 0.000 0.845 1031 E CB -0.597 29.185 29.700 0.136 0.000 0.782 1031 E HN 0.572 nan 8.360 nan 0.000 0.491 1032 T N -1.323 113.126 114.554 -0.174 0.000 3.223 1032 T HA 0.089 4.439 4.350 0.001 0.000 0.259 1032 T C 0.506 175.139 174.700 -0.112 0.000 1.015 1032 T CA -0.586 61.380 62.100 -0.223 0.000 0.908 1032 T CB 0.327 68.878 68.868 -0.528 0.000 1.054 1032 T HN -0.106 nan 8.240 nan 0.000 0.567 1033 Q N 1.220 120.997 119.800 -0.038 0.000 2.281 1033 Q HA 0.457 4.797 4.340 0.001 0.000 0.267 1033 Q C 1.342 177.345 176.000 0.005 0.000 1.053 1033 Q CA 0.003 55.806 55.803 -0.001 0.000 0.905 1033 Q CB 1.294 30.053 28.738 0.036 0.000 1.195 1033 Q HN 0.542 nan 8.270 nan 0.000 0.398 1034 A N 3.170 125.990 122.820 -0.000 0.000 2.024 1034 A HA -0.221 4.099 4.320 0.001 0.000 0.220 1034 A C 1.994 179.583 177.584 0.009 0.000 1.164 1034 A CA 2.009 54.047 52.037 0.001 0.000 0.643 1034 A CB -0.275 18.725 19.000 0.001 0.000 0.806 1034 A HN 0.784 nan 8.150 nan 0.000 0.451 1035 S N -0.411 115.300 115.700 0.018 0.000 2.423 1035 S HA 0.066 4.536 4.470 0.001 0.000 0.231 1035 S C 0.822 175.439 174.600 0.029 0.000 1.014 1035 S CA 0.093 58.306 58.200 0.021 0.000 0.965 1035 S CB -0.789 62.427 63.200 0.026 0.000 0.785 1035 S HN 0.431 nan 8.310 nan 0.000 0.495 1036 L N 2.074 123.322 121.223 0.041 0.000 2.506 1036 L HA 0.446 4.787 4.340 0.001 0.000 0.281 1036 L C 0.813 177.705 176.870 0.037 0.000 1.228 1036 L CA 0.623 55.500 54.840 0.061 0.000 0.850 1036 L CB -0.079 42.034 42.059 0.090 0.000 1.110 1036 L HN 0.605 nan 8.230 nan 0.000 0.496 1037 E N 1.390 121.613 120.200 0.038 0.000 2.416 1037 E HA 0.655 5.005 4.350 0.001 0.000 0.273 1037 E C 0.215 176.788 176.600 -0.045 0.000 0.935 1037 E CA -0.271 56.122 56.400 -0.011 0.000 0.784 1037 E CB 1.528 31.216 29.700 -0.020 0.000 1.301 1037 E HN 1.026 nan 8.360 nan 0.000 0.454 1038 G N -0.257 108.448 108.800 -0.159 0.000 2.527 1038 G HA2 -0.247 3.713 3.960 0.001 0.000 0.268 1038 G HA3 -0.247 3.713 3.960 0.001 0.000 0.268 1038 G C 0.784 175.461 174.900 -0.371 0.000 1.175 1038 G CA 0.579 45.449 45.100 -0.384 0.000 0.962 1038 G HN 1.178 nan 8.290 nan 0.000 0.560 1039 F N 1.773 121.569 119.950 -0.256 0.000 2.748 1039 F HA 0.198 4.725 4.527 0.000 0.000 0.299 1039 F C 2.520 178.392 175.800 0.121 0.000 1.154 1039 F CA 1.115 58.907 58.000 -0.347 0.000 1.446 1039 F CB 0.120 38.415 39.000 -1.176 0.000 1.112 1039 F HN 0.442 nan 8.300 nan 0.000 0.584 1040 E N 0.855 121.271 120.200 0.359 0.000 2.358 1040 E HA -0.039 4.311 4.350 0.001 0.000 0.195 1040 E C 1.272 178.102 176.600 0.384 0.000 1.010 1040 E CA 0.172 56.886 56.400 0.524 0.000 0.856 1040 E CB -0.070 29.842 29.700 0.353 0.000 0.795 1040 E HN 0.323 nan 8.360 nan 0.000 0.504 1041 K N 1.761 122.277 120.400 0.195 0.000 2.416 1041 K HA 0.320 4.641 4.320 0.001 0.000 0.283 1041 K C 0.117 176.744 176.600 0.046 0.000 1.037 1041 K CA 0.486 56.828 56.287 0.091 0.000 0.995 1041 K CB 0.615 33.125 32.500 0.018 0.000 0.938 1041 K HN 0.170 nan 8.250 nan 0.000 0.475 1042 G N 1.389 110.205 108.800 0.026 0.000 2.461 1042 G HA2 0.561 4.522 3.960 0.001 0.000 0.323 1042 G HA3 0.561 4.522 3.960 0.001 0.000 0.323 1042 G C -0.595 174.273 174.900 -0.054 0.000 1.229 1042 G CA -0.288 44.791 45.100 -0.034 0.000 0.941 1042 G HN 0.602 nan 8.290 nan 0.000 0.477 1043 T N 1.636 116.155 114.554 -0.058 0.000 2.792 1043 T HA 0.409 4.759 4.350 0.001 0.000 0.280 1043 T C 0.473 175.158 174.700 -0.025 0.000 0.990 1043 T CA -0.357 61.715 62.100 -0.046 0.000 0.960 1043 T CB 1.733 70.575 68.868 -0.043 0.000 0.939 1043 T HN 0.378 nan 8.240 nan 0.000 0.439 1044 V N 4.166 124.079 119.914 -0.002 0.000 2.872 1044 V HA 0.352 4.472 4.120 0.001 0.000 0.307 1044 V C 1.161 177.274 176.094 0.033 0.000 1.072 1044 V CA -0.194 62.146 62.300 0.067 0.000 1.148 1044 V CB 0.716 32.623 31.823 0.140 0.000 0.954 1044 V HN 1.113 nan 8.190 nan 0.000 0.490 1045 T N 0.207 114.780 114.554 0.032 0.000 2.927 1045 T HA 0.603 4.954 4.350 0.001 0.000 0.286 1045 T C 1.019 175.713 174.700 -0.010 0.000 1.040 1045 T CA 0.033 62.123 62.100 -0.016 0.000 1.010 1045 T CB 1.698 70.530 68.868 -0.060 0.000 1.177 1045 T HN 0.732 nan 8.240 nan 0.000 0.546 1046 E N 0.073 120.253 120.200 -0.033 0.000 2.333 1046 E HA -0.008 4.342 4.350 0.001 0.000 0.198 1046 E C 1.773 178.357 176.600 -0.027 0.000 1.007 1046 E CA 1.391 57.779 56.400 -0.021 0.000 0.845 1046 E CB -0.907 28.780 29.700 -0.022 0.000 0.766 1046 E HN 0.776 nan 8.360 nan 0.000 0.507 1047 M N -1.596 117.971 119.600 -0.055 0.000 2.502 1047 M HA 0.321 4.802 4.480 0.001 0.000 0.243 1047 M C 2.062 178.333 176.300 -0.049 0.000 1.130 1047 M CA 0.770 56.022 55.300 -0.079 0.000 1.055 1047 M CB 0.872 33.379 32.600 -0.156 0.000 1.457 1047 M HN 0.502 nan 8.290 nan 0.000 0.488 1048 G N 0.721 109.516 108.800 -0.008 0.000 2.284 1048 G HA2 -0.215 3.745 3.960 0.001 0.000 0.230 1048 G HA3 -0.215 3.745 3.960 0.001 0.000 0.230 1048 G C 0.297 175.242 174.900 0.075 0.000 1.021 1048 G CA -0.057 45.054 45.100 0.018 0.000 0.619 1048 G HN 0.662 nan 8.290 nan 0.000 0.510 1049 A N 0.274 123.127 122.820 0.056 0.000 2.351 1049 A HA 0.720 5.040 4.320 0.001 0.000 0.257 1049 A C 0.534 178.194 177.584 0.127 0.000 1.087 1049 A CA 0.364 52.465 52.037 0.106 0.000 0.798 1049 A CB 1.060 20.098 19.000 0.062 0.000 1.033 1049 A HN 1.143 nan 8.150 nan 0.000 0.488 1050 V N 2.894 122.914 119.914 0.177 0.000 2.567 1050 V HA 0.263 4.383 4.120 0.001 0.000 0.289 1050 V C 0.479 176.590 176.094 0.027 0.000 1.049 1050 V CA -0.677 61.693 62.300 0.116 0.000 0.969 1050 V CB 1.393 33.307 31.823 0.152 0.000 0.995 1050 V HN 0.961 nan 8.190 nan 0.000 0.471 1051 N N 2.640 121.319 118.700 -0.035 0.000 2.314 1051 N HA 0.689 5.429 4.740 0.001 0.000 0.304 1051 N C -1.149 174.258 175.510 -0.173 0.000 1.073 1051 N CA -0.330 52.663 53.050 -0.095 0.000 0.822 1051 N CB 2.440 40.876 38.487 -0.085 0.000 1.280 1051 N HN 0.552 nan 8.380 nan 0.000 0.489 1052 V N 0.146 119.883 119.914 -0.296 0.000 3.102 1052 V HA 0.677 4.798 4.120 0.001 0.000 0.312 1052 V C -0.479 175.394 176.094 -0.369 0.000 1.135 1052 V CA -0.960 61.068 62.300 -0.454 0.000 1.022 1052 V CB 1.995 33.171 31.823 -1.078 0.000 1.056 1052 V HN 0.605 nan 8.190 nan 0.000 0.436 1053 M N 2.107 121.545 119.600 -0.270 0.000 2.436 1053 M HA 0.473 4.953 4.480 0.001 0.000 0.331 1053 M C 0.655 176.816 176.300 -0.232 0.000 1.135 1053 M CA -0.278 54.922 55.300 -0.166 0.000 0.987 1053 M CB 2.439 35.028 32.600 -0.018 0.000 1.687 1053 M HN 0.957 nan 8.290 nan 0.000 0.445 1054 T N -1.594 112.812 114.554 -0.247 0.000 3.105 1054 T HA 0.476 4.826 4.350 0.001 0.000 0.253 1054 T C 0.963 175.209 174.700 -0.756 0.000 1.047 1054 T CA 0.196 62.149 62.100 -0.246 0.000 0.944 1054 T CB -0.152 68.794 68.868 0.129 0.000 1.016 1054 T HN 1.035 nan 8.240 nan 0.000 0.544 1055 G N 1.594 109.826 108.800 -0.947 0.000 2.531 1055 G HA2 -0.364 3.597 3.960 0.001 0.000 0.274 1055 G HA3 -0.364 3.597 3.960 0.001 0.000 0.274 1055 G C 0.713 175.383 174.900 -0.384 0.000 1.159 1055 G CA 0.348 44.856 45.100 -0.986 0.000 0.969 1055 G HN 0.611 nan 8.290 nan 0.000 0.554 1056 V N 0.250 119.974 119.914 -0.318 0.000 2.215 1056 V HA -0.086 4.034 4.120 0.001 0.000 0.246 1056 V C 1.797 177.734 176.094 -0.262 0.000 1.047 1056 V CA 2.513 64.645 62.300 -0.280 0.000 0.999 1056 V CB -1.092 30.496 31.823 -0.391 0.000 0.635 1056 V HN 0.496 nan 8.190 nan 0.000 0.450 1057 Y N 1.347 121.633 120.300 -0.023 0.000 2.496 1057 Y HA 0.247 4.797 4.550 0.001 0.000 0.334 1057 Y C 1.331 177.220 175.900 -0.017 0.000 1.080 1057 Y CA 0.262 58.356 58.100 -0.010 0.000 1.355 1057 Y CB 0.449 38.940 38.460 0.052 0.000 1.193 1057 Y HN 0.285 nan 8.280 nan 0.000 0.523 1058 T N -0.589 114.000 114.554 0.057 0.000 3.182 1058 T HA 0.589 4.939 4.350 0.001 0.000 0.277 1058 T C 0.415 174.908 174.700 -0.346 0.000 1.013 1058 T CA -0.020 62.073 62.100 -0.012 0.000 0.900 1058 T CB -0.029 68.832 68.868 -0.012 0.000 1.098 1058 T HN 0.828 nan 8.240 nan 0.000 0.543 1059 G N 0.681 109.077 108.800 -0.673 0.000 2.495 1059 G HA2 0.501 4.461 3.960 0.001 0.000 0.294 1059 G HA3 0.501 4.461 3.960 0.001 0.000 0.294 1059 G C -1.370 173.089 174.900 -0.736 0.000 1.397 1059 G CA -1.310 43.058 45.100 -1.221 0.000 0.790 1059 G HN 0.287 nan 8.290 nan 0.000 0.486 1060 R N -0.416 119.865 120.500 -0.366 0.000 2.784 1060 R HA 0.419 4.759 4.340 0.001 0.000 0.266 1060 R C -0.021 176.238 176.300 -0.068 0.000 1.044 1060 R CA 0.259 56.358 56.100 -0.000 0.000 1.151 1060 R CB 0.832 31.249 30.300 0.195 0.000 1.037 1060 R HN 0.341 nan 8.270 nan 0.000 0.478 1061 S N 2.135 117.776 115.700 -0.098 0.000 2.062 1061 S HA 0.202 4.672 4.470 0.001 0.000 0.163 1061 S C -1.494 173.065 174.600 -0.069 0.000 1.612 1061 S CA -1.655 56.454 58.200 -0.153 0.000 1.251 1061 S CB 0.486 63.405 63.200 -0.468 0.000 1.174 1061 S HN 0.471 nan 8.310 nan 0.000 0.428 1062 P HA -0.204 nan 4.420 nan 0.000 0.217 1062 P C 1.514 178.757 177.300 -0.094 0.000 1.148 1062 P CA 1.686 64.757 63.100 -0.048 0.000 0.834 1062 P CB -0.031 31.629 31.700 -0.067 0.000 0.783 1063 K N 0.362 120.722 120.400 -0.066 0.000 2.280 1063 K HA -0.144 4.177 4.320 0.001 0.000 0.202 1063 K C 1.562 178.138 176.600 -0.041 0.000 1.047 1063 K CA 1.796 58.045 56.287 -0.064 0.000 0.942 1063 K CB -1.245 31.259 32.500 0.007 0.000 0.739 1063 K HN 0.303 nan 8.250 nan 0.000 0.457 1064 D N -0.689 119.722 120.400 0.019 0.000 2.369 1064 D HA 0.049 4.689 4.640 0.001 0.000 0.211 1064 D C -0.100 176.368 176.300 0.281 0.000 1.077 1064 D CA -0.014 54.131 54.000 0.243 0.000 0.842 1064 D CB 0.444 41.313 40.800 0.115 0.000 0.947 1064 D HN 0.480 nan 8.370 nan 0.000 0.509 1065 K N 1.077 121.460 120.400 -0.028 0.000 2.285 1065 K HA 0.259 4.579 4.320 0.001 0.000 0.286 1065 K C -1.127 175.355 176.600 -0.197 0.000 1.072 1065 K CA -0.038 56.290 56.287 0.069 0.000 0.913 1065 K CB 0.315 32.856 32.500 0.070 0.000 1.067 1065 K HN -0.313 nan 8.250 nan 0.000 0.479 1066 F N 3.891 123.997 119.950 0.260 0.000 2.603 1066 F HA 0.526 5.054 4.527 0.000 0.000 0.317 1066 F C -0.202 175.811 175.800 0.354 0.000 1.066 1066 F CA -0.933 57.224 58.000 0.261 0.000 0.941 1066 F CB 1.557 40.685 39.000 0.214 0.000 1.291 1066 F HN 0.222 nan 8.300 nan 0.000 0.472 1067 I N 2.168 123.049 120.570 0.518 0.000 2.478 1067 I HA 0.308 4.478 4.170 0.001 0.000 0.287 1067 I C -0.856 175.537 176.117 0.459 0.000 1.042 1067 I CA -1.037 60.513 61.300 0.417 0.000 1.067 1067 I CB 1.866 39.956 38.000 0.149 0.000 1.233 1067 I HN 0.180 nan 8.210 nan 0.000 0.431 1068 V N 5.364 125.434 119.914 0.260 0.000 2.720 1068 V HA -0.090 4.030 4.120 0.001 0.000 0.307 1068 V C 0.477 176.697 176.094 0.210 0.000 1.071 1068 V CA 0.187 62.577 62.300 0.151 0.000 1.199 1068 V CB 0.482 32.238 31.823 -0.112 0.000 0.900 1068 V HN 0.632 nan 8.190 nan 0.000 0.494 1069 K N 5.203 125.667 120.400 0.107 0.000 2.262 1069 K HA 0.422 4.742 4.320 0.001 0.000 0.282 1069 K C -0.327 176.299 176.600 0.044 0.000 1.066 1069 K CA -0.178 56.143 56.287 0.056 0.000 0.901 1069 K CB 0.311 32.666 32.500 -0.243 0.000 1.089 1069 K HN 0.968 nan 8.250 nan 0.000 0.476 1070 N N 1.444 120.203 118.700 0.099 0.000 3.116 1070 N HA 0.150 4.890 4.740 0.001 0.000 0.244 1070 N C 0.432 175.993 175.510 0.085 0.000 1.485 1070 N CA -0.291 52.791 53.050 0.053 0.000 0.884 1070 N CB 0.397 38.887 38.487 0.005 0.000 1.415 1070 N HN 0.224 nan 8.380 nan 0.000 0.524 1071 E N -0.092 120.145 120.200 0.062 0.000 2.171 1071 E HA -0.121 4.229 4.350 0.001 0.000 0.197 1071 E C 1.779 178.432 176.600 0.089 0.000 0.997 1071 E CA 2.281 58.726 56.400 0.075 0.000 0.810 1071 E CB -1.130 28.602 29.700 0.055 0.000 0.738 1071 E HN 0.806 nan 8.360 nan 0.000 0.467 1072 A N 0.977 123.839 122.820 0.070 0.000 2.019 1072 A HA 0.026 4.346 4.320 0.001 0.000 0.219 1072 A C 2.401 180.031 177.584 0.077 0.000 1.164 1072 A CA 2.028 54.112 52.037 0.078 0.000 0.644 1072 A CB -0.216 18.806 19.000 0.038 0.000 0.805 1072 A HN 0.909 nan 8.150 nan 0.000 0.449 1073 S N -0.501 115.242 115.700 0.072 0.000 2.574 1073 S HA 0.157 4.627 4.470 0.001 0.000 0.242 1073 S C 1.086 175.778 174.600 0.154 0.000 0.982 1073 S CA 0.167 58.377 58.200 0.016 0.000 0.977 1073 S CB -0.098 63.115 63.200 0.021 0.000 0.814 1073 S HN 0.705 nan 8.310 nan 0.000 0.464 1074 K N 1.261 121.777 120.400 0.193 0.000 2.280 1074 K HA 0.020 4.340 4.320 0.001 0.000 0.202 1074 K C 1.194 177.899 176.600 0.176 0.000 1.047 1074 K CA 1.201 57.622 56.287 0.223 0.000 0.942 1074 K CB -0.152 32.443 32.500 0.158 0.000 0.739 1074 K HN 0.237 nan 8.250 nan 0.000 0.457 1075 E N 0.777 121.073 120.200 0.160 0.000 2.478 1075 E HA 0.052 4.402 4.350 0.001 0.000 0.194 1075 E C 0.387 177.037 176.600 0.083 0.000 1.045 1075 E CA -0.001 56.477 56.400 0.130 0.000 0.868 1075 E CB 0.131 29.907 29.700 0.126 0.000 0.885 1075 E HN 0.286 nan 8.360 nan 0.000 0.505 1076 I N 1.461 121.968 120.570 -0.104 0.000 2.752 1076 I HA -0.158 4.012 4.170 0.001 0.000 0.289 1076 I C 0.517 176.349 176.117 -0.475 0.000 1.197 1076 I CA 0.027 61.040 61.300 -0.478 0.000 1.432 1076 I CB -0.148 37.095 38.000 -1.262 0.000 1.359 1076 I HN 0.165 nan 8.210 nan 0.000 0.571 1077 W N 9.228 130.270 121.300 -0.429 0.000 1.828 1077 W HA 0.212 4.872 4.660 0.000 0.000 0.470 1077 W C -0.423 175.930 176.519 -0.277 0.000 0.786 1077 W CA -1.517 55.654 57.345 -0.290 0.000 1.816 1077 W CB -0.398 28.925 29.460 -0.228 0.000 1.798 1077 W HN 0.383 nan 8.180 nan 0.000 0.252 1078 W N 3.640 124.839 121.300 -0.169 0.000 2.209 1078 W HA 0.081 4.742 4.660 0.000 0.000 0.344 1078 W C 1.549 177.779 176.519 -0.482 0.000 1.285 1078 W CA 0.014 57.197 57.345 -0.269 0.000 1.267 1078 W CB 0.379 29.761 29.460 -0.131 0.000 1.167 1078 W HN 0.049 nan 8.180 nan 0.000 0.574 1079 T N 2.114 116.585 114.554 -0.139 0.000 2.900 1079 T HA 0.362 4.712 4.350 0.001 0.000 0.307 1079 T C 0.130 174.754 174.700 -0.126 0.000 1.065 1079 T CA 0.142 62.080 62.100 -0.270 0.000 1.105 1079 T CB 0.172 68.933 68.868 -0.178 0.000 0.979 1079 T HN 0.549 nan 8.240 nan 0.000 0.544 1080 S N 2.339 117.970 115.700 -0.117 0.000 2.615 1080 S HA 0.374 4.845 4.470 0.001 0.000 0.269 1080 S C 0.254 174.841 174.600 -0.022 0.000 1.161 1080 S CA -0.886 57.288 58.200 -0.042 0.000 0.817 1080 S CB 1.350 64.543 63.200 -0.011 0.000 1.131 1080 S HN 0.606 nan 8.310 nan 0.000 0.467 1081 D N 1.016 121.408 120.400 -0.013 0.000 2.219 1081 D HA -0.078 4.563 4.640 0.001 0.000 0.205 1081 D C 1.669 177.962 176.300 -0.012 0.000 0.970 1081 D CA 1.317 55.308 54.000 -0.015 0.000 0.851 1081 D CB 0.034 40.826 40.800 -0.014 0.000 0.943 1081 D HN 0.748 nan 8.370 nan 0.000 0.488 1082 E N -0.178 120.029 120.200 0.011 0.000 2.208 1082 E HA -0.095 4.255 4.350 0.001 0.000 0.193 1082 E C 0.506 177.128 176.600 0.037 0.000 0.988 1082 E CA 0.345 56.754 56.400 0.015 0.000 0.828 1082 E CB -0.039 29.687 29.700 0.043 0.000 0.763 1082 E HN 0.303 nan 8.360 nan 0.000 0.478 1083 F N 0.446 120.332 119.950 -0.106 0.000 3.152 1083 F HA 0.407 4.935 4.527 0.001 0.000 0.367 1083 F C -0.418 175.243 175.800 -0.232 0.000 1.272 1083 F CA -0.726 57.188 58.000 -0.144 0.000 1.172 1083 F CB 0.984 39.934 39.000 -0.082 0.000 1.552 1083 F HN -0.199 nan 8.300 nan 0.000 0.616 1084 K N 3.079 123.575 120.400 0.159 0.000 2.218 1084 K HA 0.707 5.027 4.320 0.001 0.000 0.276 1084 K C -0.944 175.626 176.600 -0.050 0.000 1.022 1084 K CA -0.129 56.154 56.287 -0.007 0.000 0.946 1084 K CB 0.885 33.363 32.500 -0.036 0.000 1.000 1084 K HN 0.814 nan 8.250 nan 0.000 0.468 1085 N N -1.140 117.406 118.700 -0.256 0.000 3.039 1085 N HA 0.300 5.040 4.740 0.001 0.000 0.257 1085 N C -0.626 174.723 175.510 -0.268 0.000 1.497 1085 N CA -0.692 52.159 53.050 -0.331 0.000 0.861 1085 N CB 0.895 38.907 38.487 -0.791 0.000 1.479 1085 N HN 0.259 nan 8.380 nan 0.000 0.547 1086 D N -0.984 119.271 120.400 -0.242 0.000 2.355 1086 D HA 0.016 4.656 4.640 0.001 0.000 0.218 1086 D C -0.549 175.623 176.300 -0.214 0.000 1.004 1086 D CA 0.489 54.362 54.000 -0.212 0.000 0.880 1086 D CB -0.647 40.044 40.800 -0.181 0.000 0.911 1086 D HN 0.535 nan 8.370 nan 0.000 0.528 1087 N N 1.574 120.133 118.700 -0.234 0.000 2.549 1087 N HA 0.061 4.802 4.740 0.001 0.000 0.267 1087 N C -0.245 175.302 175.510 0.061 0.000 1.182 1087 N CA 0.162 53.114 53.050 -0.164 0.000 1.019 1087 N CB 0.472 38.766 38.487 -0.322 0.000 1.380 1087 N HN -0.064 nan 8.380 nan 0.000 0.505 1088 K N 2.688 123.120 120.400 0.053 0.000 2.159 1088 K HA 0.384 4.704 4.320 0.001 0.000 0.266 1088 K C -2.344 174.494 176.600 0.397 0.000 0.975 1088 K CA -1.865 54.492 56.287 0.118 0.000 0.865 1088 K CB 1.500 33.866 32.500 -0.223 0.000 1.087 1088 K HN 0.233 nan 8.250 nan 0.000 0.446 1089 P HA 0.170 nan 4.420 nan 0.000 0.281 1089 P C -0.860 176.529 177.300 0.150 0.000 1.249 1089 P CA -0.460 62.607 63.100 -0.055 0.000 0.810 1089 P CB 1.206 32.510 31.700 -0.660 0.000 1.008 1090 V N -2.191 117.789 119.914 0.111 0.000 3.147 1090 V HA 0.578 4.698 4.120 0.001 0.000 0.306 1090 V C 0.221 176.346 176.094 0.051 0.000 1.209 1090 V CA -0.891 61.467 62.300 0.097 0.000 1.023 1090 V CB 1.134 33.045 31.823 0.148 0.000 1.059 1090 V HN 0.663 nan 8.190 nan 0.000 0.435 1091 T N -0.182 114.395 114.554 0.039 0.000 2.816 1091 T HA 0.281 4.631 4.350 0.001 0.000 0.282 1091 T C 0.949 175.711 174.700 0.103 0.000 0.993 1091 T CA 0.325 62.448 62.100 0.039 0.000 0.994 1091 T CB 1.034 69.914 68.868 0.019 0.000 1.025 1091 T HN 0.889 nan 8.240 nan 0.000 0.529 1092 E N 1.158 121.413 120.200 0.092 0.000 2.158 1092 E HA -0.029 4.321 4.350 0.001 0.000 0.191 1092 E C 2.498 179.208 176.600 0.182 0.000 0.982 1092 E CA 1.148 57.640 56.400 0.153 0.000 0.823 1092 E CB -0.259 29.497 29.700 0.093 0.000 0.766 1092 E HN 0.886 nan 8.360 nan 0.000 0.468 1093 E N 1.795 122.056 120.200 0.101 0.000 2.058 1093 E HA -0.150 4.201 4.350 0.001 0.000 0.194 1093 E C 2.076 178.715 176.600 0.065 0.000 0.997 1093 E CA 1.461 57.902 56.400 0.068 0.000 0.801 1093 E CB -0.780 28.940 29.700 0.032 0.000 0.746 1093 E HN 0.303 nan 8.360 nan 0.000 0.450 1094 A N -0.061 122.801 122.820 0.070 0.000 1.902 1094 A HA -0.104 4.216 4.320 0.001 0.000 0.217 1094 A C 2.234 179.866 177.584 0.080 0.000 1.181 1094 A CA 1.704 53.769 52.037 0.046 0.000 0.623 1094 A CB -0.894 18.122 19.000 0.027 0.000 0.818 1094 A HN 0.814 nan 8.150 nan 0.000 0.443 1095 W N 0.949 122.244 121.300 -0.009 0.000 2.358 1095 W HA -0.188 4.472 4.660 0.000 0.000 0.303 1095 W C 2.196 178.714 176.519 -0.003 0.000 1.208 1095 W CA 2.054 59.400 57.345 0.001 0.000 1.274 1095 W CB -0.448 29.024 29.460 0.020 0.000 1.138 1095 W HN 0.427 nan 8.180 nan 0.000 0.515 1096 A N 1.111 123.951 122.820 0.034 0.000 1.873 1096 A HA -0.312 4.009 4.320 0.001 0.000 0.218 1096 A C 1.988 179.471 177.584 -0.169 0.000 1.193 1096 A CA 2.306 54.306 52.037 -0.063 0.000 0.629 1096 A CB -1.177 17.847 19.000 0.040 0.000 0.826 1096 A HN 0.555 nan 8.150 nan 0.000 0.447 1097 Q N -0.697 119.034 119.800 -0.115 0.000 2.079 1097 Q HA -0.045 4.295 4.340 0.001 0.000 0.200 1097 Q C 2.138 178.034 176.000 -0.174 0.000 0.974 1097 Q CA 1.264 56.999 55.803 -0.114 0.000 0.840 1097 Q CB -0.290 28.409 28.738 -0.064 0.000 0.898 1097 Q HN 0.694 nan 8.270 nan 0.000 0.430 1098 L N 0.686 121.770 121.223 -0.232 0.000 2.131 1098 L HA -0.214 4.126 4.340 0.001 0.000 0.210 1098 L C 2.535 179.165 176.870 -0.399 0.000 1.092 1098 L CA 1.194 55.867 54.840 -0.278 0.000 0.759 1098 L CB -0.368 41.528 42.059 -0.273 0.000 0.903 1098 L HN 0.182 nan 8.230 nan 0.000 0.435 1099 K N 0.376 120.422 120.400 -0.589 0.000 2.007 1099 K HA -0.133 4.188 4.320 0.001 0.000 0.206 1099 K C 2.216 178.649 176.600 -0.278 0.000 1.047 1099 K CA 1.176 57.132 56.287 -0.551 0.000 0.937 1099 K CB -0.118 31.973 32.500 -0.683 0.000 0.718 1099 K HN 0.210 nan 8.250 nan 0.000 0.438 1100 A N 1.820 124.512 122.820 -0.214 0.000 1.986 1100 A HA -0.194 4.126 4.320 0.001 0.000 0.220 1100 A C 2.118 179.638 177.584 -0.107 0.000 1.171 1100 A CA 1.367 53.329 52.037 -0.125 0.000 0.640 1100 A CB -0.680 18.263 19.000 -0.095 0.000 0.811 1100 A HN 0.424 nan 8.150 nan 0.000 0.451 1101 L N -0.928 120.221 121.223 -0.123 0.000 1.961 1101 L HA -0.204 4.136 4.340 0.001 0.000 0.210 1101 L C 3.043 179.860 176.870 -0.089 0.000 1.072 1101 L CA 1.587 56.372 54.840 -0.091 0.000 0.749 1101 L CB -0.540 41.465 42.059 -0.089 0.000 0.889 1101 L HN 0.433 nan 8.230 nan 0.000 0.432 1102 A N -0.402 122.346 122.820 -0.120 0.000 1.933 1102 A HA -0.148 4.172 4.320 0.001 0.000 0.218 1102 A C 2.215 179.748 177.584 -0.085 0.000 1.175 1102 A CA 1.570 53.542 52.037 -0.109 0.000 0.628 1102 A CB -1.286 17.629 19.000 -0.142 0.000 0.814 1102 A HN 0.568 nan 8.150 nan 0.000 0.444 1103 G N -1.106 107.639 108.800 -0.092 0.000 2.470 1103 G HA2 0.008 3.968 3.960 0.001 0.000 0.220 1103 G HA3 0.008 3.968 3.960 0.001 0.000 0.220 1103 G C 1.566 176.441 174.900 -0.042 0.000 1.121 1103 G CA 1.786 46.853 45.100 -0.055 0.000 0.766 1103 G HN 0.805 nan 8.290 nan 0.000 0.553 1104 K N 0.534 120.906 120.400 -0.048 0.000 2.202 1104 K HA 0.249 4.569 4.320 0.001 0.000 0.201 1104 K C 2.107 178.690 176.600 -0.027 0.000 1.051 1104 K CA 1.349 57.615 56.287 -0.034 0.000 0.977 1104 K CB -0.524 31.956 32.500 -0.034 0.000 0.792 1104 K HN 0.345 nan 8.250 nan 0.000 0.469 1105 E N 0.613 120.793 120.200 -0.033 0.000 2.204 1105 E HA -0.055 4.296 4.350 0.001 0.000 0.195 1105 E C 1.436 178.021 176.600 -0.025 0.000 0.990 1105 E CA 1.122 57.507 56.400 -0.026 0.000 0.821 1105 E CB -0.267 29.411 29.700 -0.036 0.000 0.750 1105 E HN 0.550 nan 8.360 nan 0.000 0.477 1106 L N -0.131 121.075 121.223 -0.029 0.000 2.640 1106 L HA 0.258 4.599 4.340 0.001 0.000 0.230 1106 L C 0.444 177.306 176.870 -0.013 0.000 1.123 1106 L CA -0.297 54.531 54.840 -0.021 0.000 0.900 1106 L CB 0.354 42.401 42.059 -0.020 0.000 1.146 1106 L HN -0.111 nan 8.230 nan 0.000 0.484 1107 S N 0.568 116.258 115.700 -0.015 0.000 2.610 1107 S HA 0.225 4.695 4.470 0.001 0.000 0.273 1107 S C 0.271 174.862 174.600 -0.014 0.000 1.274 1107 S CA -0.530 57.661 58.200 -0.015 0.000 1.023 1107 S CB 0.656 63.846 63.200 -0.017 0.000 0.962 1107 S HN 0.370 nan 8.310 nan 0.000 0.523 1108 N N 1.853 120.543 118.700 -0.016 0.000 2.681 1108 N HA -0.175 4.565 4.740 0.001 0.000 0.259 1108 N C -0.647 174.854 175.510 -0.015 0.000 1.066 1108 N CA 1.251 54.291 53.050 -0.016 0.000 0.717 1108 N CB -1.316 37.164 38.487 -0.013 0.000 0.885 1108 N HN 0.849 nan 8.380 nan 0.000 0.547 1109 K N -2.732 117.656 120.400 -0.021 0.000 2.736 1109 K HA 0.394 4.715 4.320 0.001 0.000 0.290 1109 K C -3.499 173.074 176.600 -0.045 0.000 1.033 1109 K CA -1.363 54.909 56.287 -0.024 0.000 0.852 1109 K CB 1.615 34.108 32.500 -0.012 0.000 1.494 1109 K HN -0.223 nan 8.250 nan 0.000 0.378 1110 P HA 0.156 nan 4.420 nan 0.000 0.271 1110 P C -0.778 176.423 177.300 -0.165 0.000 1.226 1110 P CA -0.087 62.938 63.100 -0.125 0.000 0.765 1110 P CB 0.523 32.141 31.700 -0.137 0.000 0.835 1111 L N 4.163 125.275 121.223 -0.186 0.000 2.333 1111 L HA 0.482 4.822 4.340 0.001 0.000 0.269 1111 L C -0.124 176.602 176.870 -0.241 0.000 1.010 1111 L CA -1.200 53.554 54.840 -0.144 0.000 0.818 1111 L CB 1.419 43.454 42.059 -0.039 0.000 1.306 1111 L HN 0.303 nan 8.230 nan 0.000 0.430 1112 Y N 0.860 121.154 120.300 -0.010 0.000 2.341 1112 Y HA 0.533 5.083 4.550 0.000 0.000 0.337 1112 Y C -0.125 175.766 175.900 -0.015 0.000 1.014 1112 Y CA -0.703 57.388 58.100 -0.014 0.000 1.111 1112 Y CB 1.971 40.413 38.460 -0.029 0.000 1.194 1112 Y HN 0.100 nan 8.280 nan 0.000 0.462 1113 V N 4.493 124.470 119.914 0.105 0.000 2.555 1113 V HA 0.580 4.700 4.120 0.001 0.000 0.302 1113 V C -0.864 175.161 176.094 -0.116 0.000 1.038 1113 V CA -0.905 61.415 62.300 0.034 0.000 0.887 1113 V CB 1.900 33.776 31.823 0.088 0.000 0.991 1113 V HN 0.485 nan 8.190 nan 0.000 0.434 1114 V N 3.341 123.187 119.914 -0.114 0.000 2.488 1114 V HA 0.424 4.545 4.120 0.001 0.000 0.293 1114 V C -1.064 174.876 176.094 -0.257 0.000 1.027 1114 V CA -0.757 61.419 62.300 -0.208 0.000 0.862 1114 V CB 1.797 33.587 31.823 -0.055 0.000 1.008 1114 V HN 0.808 nan 8.190 nan 0.000 0.428 1115 D N 5.605 125.651 120.400 -0.590 0.000 2.280 1115 D HA 0.715 5.356 4.640 0.001 0.000 0.243 1115 D C -0.296 175.566 176.300 -0.731 0.000 1.129 1115 D CA 0.160 53.575 54.000 -0.974 0.000 0.848 1115 D CB 2.069 41.757 40.800 -1.854 0.000 1.107 1115 D HN 0.337 nan 8.370 nan 0.000 0.471 1116 L N 0.982 121.987 121.223 -0.362 0.000 2.322 1116 L HA 0.537 4.877 4.340 0.001 0.000 0.252 1116 L C -0.798 176.089 176.870 0.028 0.000 1.055 1116 L CA -1.073 53.706 54.840 -0.101 0.000 0.849 1116 L CB 1.381 43.516 42.059 0.127 0.000 1.446 1116 L HN 0.116 nan 8.230 nan 0.000 0.416 1117 F N 0.123 120.243 119.950 0.283 0.000 2.458 1117 F HA 0.506 5.033 4.527 0.000 0.000 0.330 1117 F C -0.042 175.929 175.800 0.284 0.000 1.082 1117 F CA -1.056 57.087 58.000 0.240 0.000 0.995 1117 F CB 1.714 40.832 39.000 0.197 0.000 1.170 1117 F HN 0.218 nan 8.300 nan 0.000 0.478 1118 C N 2.804 122.371 119.300 0.446 0.000 2.321 1118 C HA 0.823 5.283 4.460 0.001 0.000 0.323 1118 C C -0.159 174.993 174.990 0.270 0.000 1.191 1118 C CA -0.035 59.248 59.018 0.442 0.000 1.455 1118 C CB -0.670 27.281 27.740 0.352 0.000 2.083 1118 C HN 1.183 nan 8.230 nan 0.000 0.442 1119 G N 4.614 113.620 108.800 0.343 0.000 3.400 1119 G HA2 0.361 4.322 3.960 0.001 0.000 0.679 1119 G HA3 0.361 4.322 3.960 0.001 0.000 0.679 1119 G C 0.297 175.271 174.900 0.124 0.000 1.239 1119 G CA -0.221 45.088 45.100 0.348 0.000 1.049 1119 G HN 1.717 nan 8.290 nan 0.000 0.539 1120 A N 2.069 125.022 122.820 0.222 0.000 2.067 1120 A HA 0.112 4.433 4.320 0.001 0.000 0.219 1120 A C 1.236 178.728 177.584 -0.153 0.000 1.158 1120 A CA 1.401 53.482 52.037 0.073 0.000 0.661 1120 A CB -0.092 19.026 19.000 0.196 0.000 0.801 1120 A HN 0.856 nan 8.150 nan 0.000 0.452 1121 N N 0.566 118.973 118.700 -0.488 0.000 2.411 1121 N HA 0.065 4.805 4.740 0.001 0.000 0.259 1121 N C 0.991 176.246 175.510 -0.426 0.000 1.103 1121 N CA 0.334 53.084 53.050 -0.499 0.000 0.954 1121 N CB 0.566 38.567 38.487 -0.810 0.000 1.085 1121 N HN 0.571 nan 8.380 nan 0.000 0.485 1122 E N 3.268 123.284 120.200 -0.306 0.000 2.160 1122 E HA -0.246 4.104 4.350 0.001 0.000 0.195 1122 E C 0.365 176.810 176.600 -0.258 0.000 0.991 1122 E CA 1.127 57.334 56.400 -0.323 0.000 0.810 1122 E CB -0.087 29.466 29.700 -0.246 0.000 0.742 1122 E HN 0.589 nan 8.360 nan 0.000 0.466 1123 N N 0.671 119.248 118.700 -0.205 0.000 2.515 1123 N HA -0.046 4.694 4.740 0.001 0.000 0.185 1123 N C 0.848 176.273 175.510 -0.142 0.000 1.109 1123 N CA 1.604 54.568 53.050 -0.142 0.000 0.903 1123 N CB 0.558 38.990 38.487 -0.091 0.000 0.969 1123 N HN 0.464 nan 8.380 nan 0.000 0.450 1124 T N -2.625 111.798 114.554 -0.218 0.000 3.192 1124 T HA 0.148 4.498 4.350 0.001 0.000 0.295 1124 T C 0.574 175.174 174.700 -0.166 0.000 0.947 1124 T CA -0.668 61.337 62.100 -0.159 0.000 0.916 1124 T CB 0.523 69.332 68.868 -0.098 0.000 1.169 1124 T HN 0.156 nan 8.240 nan 0.000 0.540 1125 R N 0.998 121.366 120.500 -0.221 0.000 2.637 1125 R HA 0.690 5.030 4.340 0.001 0.000 0.269 1125 R C -0.648 175.631 176.300 -0.035 0.000 1.089 1125 R CA -0.780 55.239 56.100 -0.135 0.000 1.177 1125 R CB 0.636 30.815 30.300 -0.202 0.000 1.091 1125 R HN 0.199 nan 8.270 nan 0.000 0.540 1126 L N 1.068 122.321 121.223 0.050 0.000 2.334 1126 L HA 0.435 4.776 4.340 0.001 0.000 0.276 1126 L C -0.173 176.803 176.870 0.177 0.000 1.014 1126 L CA -1.046 53.825 54.840 0.052 0.000 0.815 1126 L CB 2.096 44.161 42.059 0.010 0.000 1.268 1126 L HN 0.654 nan 8.230 nan 0.000 0.428 1127 K N 4.106 124.564 120.400 0.098 0.000 2.183 1127 K HA 0.585 4.905 4.320 0.001 0.000 0.274 1127 K C -1.038 175.630 176.600 0.113 0.000 1.009 1127 K CA -0.605 55.728 56.287 0.077 0.000 0.888 1127 K CB 1.744 33.989 32.500 -0.425 0.000 1.078 1127 K HN 0.303 nan 8.250 nan 0.000 0.459 1128 I N 2.356 123.031 120.570 0.174 0.000 2.545 1128 I HA 0.377 4.547 4.170 0.001 0.000 0.292 1128 I C -0.299 175.724 176.117 -0.156 0.000 1.040 1128 I CA -0.763 60.485 61.300 -0.086 0.000 1.068 1128 I CB 1.768 39.519 38.000 -0.415 0.000 1.251 1128 I HN 0.624 nan 8.210 nan 0.000 0.424 1129 R N 4.966 125.298 120.500 -0.280 0.000 2.393 1129 R HA 0.593 4.933 4.340 0.001 0.000 0.315 1129 R C -1.891 174.137 176.300 -0.453 0.000 0.952 1129 R CA -0.354 55.585 56.100 -0.269 0.000 0.842 1129 R CB 1.116 31.353 30.300 -0.105 0.000 1.163 1129 R HN 0.326 nan 8.270 nan 0.000 0.450 1130 F N 3.705 123.568 119.950 -0.146 0.000 2.420 1130 F HA 0.399 4.926 4.527 0.000 0.000 0.342 1130 F C -0.167 175.576 175.800 -0.094 0.000 1.113 1130 F CA -0.714 57.215 58.000 -0.118 0.000 1.059 1130 F CB 2.078 41.015 39.000 -0.105 0.000 1.128 1130 F HN 0.096 nan 8.300 nan 0.000 0.475 1131 V N 6.099 126.047 119.914 0.055 0.000 2.378 1131 V HA 0.583 4.703 4.120 0.001 0.000 0.288 1131 V C -0.068 176.042 176.094 0.028 0.000 1.016 1131 V CA -0.523 61.801 62.300 0.039 0.000 0.840 1131 V CB 1.296 33.124 31.823 0.009 0.000 0.994 1131 V HN 0.752 nan 8.190 nan 0.000 0.431 1132 M N 3.718 123.346 119.600 0.046 0.000 2.755 1132 M HA 0.619 5.099 4.480 0.001 0.000 0.273 1132 M C -0.325 176.019 176.300 0.073 0.000 1.278 1132 M CA -0.605 54.692 55.300 -0.005 0.000 0.819 1132 M CB 2.402 34.953 32.600 -0.083 0.000 1.694 1132 M HN 0.608 nan 8.290 nan 0.000 0.460 1133 E N 0.306 120.521 120.200 0.025 0.000 2.660 1133 E HA 0.464 4.814 4.350 0.001 0.000 0.216 1133 E C -1.125 175.572 176.600 0.161 0.000 0.986 1133 E CA -0.248 56.221 56.400 0.116 0.000 1.037 1133 E CB 0.877 30.596 29.700 0.032 0.000 1.041 1133 E HN 0.408 nan 8.360 nan 0.000 0.480 1134 V N 1.629 121.536 119.914 -0.011 0.000 2.444 1134 V HA 0.401 4.522 4.120 0.001 0.000 0.294 1134 V C 1.156 177.011 176.094 -0.400 0.000 1.022 1134 V CA -0.162 62.049 62.300 -0.149 0.000 0.850 1134 V CB 1.265 32.860 31.823 -0.379 0.000 0.992 1134 V HN 0.321 nan 8.190 nan 0.000 0.426 1135 A N 6.328 128.897 122.820 -0.420 0.000 1.869 1135 A HA -0.180 4.140 4.320 0.001 0.000 0.218 1135 A C 1.842 179.256 177.584 -0.284 0.000 1.203 1135 A CA 2.427 54.017 52.037 -0.745 0.000 0.638 1135 A CB -0.642 18.178 19.000 -0.301 0.000 0.831 1135 A HN 1.094 nan 8.150 nan 0.000 0.450 1136 W N -0.101 121.170 121.300 -0.049 0.000 2.364 1136 W HA -0.195 4.466 4.660 0.001 0.000 0.281 1136 W C 1.558 178.114 176.519 0.061 0.000 1.219 1136 W CA 1.145 58.539 57.345 0.082 0.000 1.220 1136 W CB -0.824 28.705 29.460 0.114 0.000 1.127 1136 W HN 0.475 nan 8.180 nan 0.000 0.556 1137 Q N 1.149 120.617 119.800 -0.553 0.000 2.079 1137 Q HA -0.094 4.246 4.340 0.001 0.000 0.200 1137 Q C 2.817 178.706 176.000 -0.185 0.000 0.974 1137 Q CA 2.114 57.595 55.803 -0.537 0.000 0.840 1137 Q CB -0.463 27.834 28.738 -0.735 0.000 0.898 1137 Q HN 0.343 nan 8.270 nan 0.000 0.430 1138 A N 0.209 122.893 122.820 -0.228 0.000 1.969 1138 A HA -0.234 4.086 4.320 0.001 0.000 0.218 1138 A C 1.735 179.304 177.584 -0.025 0.000 1.169 1138 A CA 1.571 53.515 52.037 -0.155 0.000 0.635 1138 A CB -0.807 18.046 19.000 -0.246 0.000 0.810 1138 A HN 0.517 nan 8.150 nan 0.000 0.445 1139 H N -2.325 116.706 119.070 -0.064 0.000 2.353 1139 H HA -0.177 4.380 4.556 0.001 0.000 0.300 1139 H C 1.930 177.302 175.328 0.073 0.000 1.090 1139 H CA 1.581 57.657 56.048 0.047 0.000 1.327 1139 H CB -0.200 29.655 29.762 0.154 0.000 1.383 1139 H HN 0.512 nan 8.280 nan 0.000 0.508 1140 F N 1.536 121.493 119.950 0.011 0.000 2.095 1140 F HA -0.248 4.279 4.527 0.001 0.000 0.298 1140 F C 2.444 178.130 175.800 -0.190 0.000 1.104 1140 F CA 1.977 59.902 58.000 -0.125 0.000 1.232 1140 F CB -0.563 38.394 39.000 -0.071 0.000 0.987 1140 F HN 0.121 nan 8.300 nan 0.000 0.475 1141 V N -2.924 116.916 119.914 -0.123 0.000 2.548 1141 V HA -0.181 3.939 4.120 0.001 0.000 0.249 1141 V C 2.018 178.018 176.094 -0.157 0.000 1.055 1141 V CA 2.168 64.293 62.300 -0.292 0.000 1.065 1141 V CB -1.665 29.622 31.823 -0.893 0.000 0.681 1141 V HN 0.396 nan 8.190 nan 0.000 0.462 1142 T N 0.939 115.428 114.554 -0.108 0.000 2.833 1142 T HA -0.141 4.209 4.350 0.001 0.000 0.269 1142 T C 1.792 176.462 174.700 -0.050 0.000 1.054 1142 T CA 2.223 64.290 62.100 -0.056 0.000 1.135 1142 T CB -0.572 68.258 68.868 -0.063 0.000 0.869 1142 T HN 0.703 nan 8.240 nan 0.000 0.466 1143 N N 0.194 118.826 118.700 -0.113 0.000 2.207 1143 N HA 0.029 4.769 4.740 0.001 0.000 0.182 1143 N C 1.642 176.911 175.510 -0.402 0.000 1.020 1143 N CA 0.740 53.661 53.050 -0.214 0.000 0.858 1143 N CB -0.011 38.291 38.487 -0.308 0.000 0.991 1143 N HN 0.166 nan 8.380 nan 0.000 0.427 1144 M N 0.003 119.234 119.600 -0.614 0.000 2.419 1144 M HA 0.123 4.603 4.480 0.001 0.000 0.264 1144 M C -0.189 175.622 176.300 -0.816 0.000 1.082 1144 M CA 0.847 55.655 55.300 -0.821 0.000 1.119 1144 M CB -0.569 31.287 32.600 -1.239 0.000 1.398 1144 M HN -0.051 nan 8.290 nan 0.000 0.453 1145 F N -0.438 119.410 119.950 -0.171 0.000 2.575 1145 F HA 0.476 5.003 4.527 0.000 0.000 0.330 1145 F C 0.568 176.399 175.800 0.052 0.000 1.056 1145 F CA -1.510 56.489 58.000 -0.001 0.000 0.964 1145 F CB 0.777 39.828 39.000 0.084 0.000 1.258 1145 F HN -0.265 nan 8.300 nan 0.000 0.484 1146 I N 2.253 123.045 120.570 0.370 0.000 2.581 1146 I HA 0.037 4.207 4.170 0.001 0.000 0.285 1146 I C 0.252 176.555 176.117 0.310 0.000 1.129 1146 I CA 0.170 61.663 61.300 0.321 0.000 1.397 1146 I CB -0.174 38.062 38.000 0.394 0.000 1.399 1146 I HN 0.433 nan 8.210 nan 0.000 0.537 1147 R N 8.141 128.781 120.500 0.233 0.000 2.248 1147 R HA 0.254 4.594 4.340 0.001 0.000 0.337 1147 R C -1.967 174.459 176.300 0.211 0.000 1.085 1147 R CA -1.295 54.907 56.100 0.170 0.000 0.934 1147 R CB 0.094 30.477 30.300 0.139 0.000 1.034 1147 R HN 0.470 nan 8.270 nan 0.000 0.465 1148 P HA -0.011 nan 4.420 nan 0.000 0.272 1148 P C -0.098 177.312 177.300 0.184 0.000 1.230 1148 P CA -0.308 62.959 63.100 0.278 0.000 0.788 1148 P CB 0.804 32.569 31.700 0.109 0.000 0.949 1149 T N -1.748 112.932 114.554 0.209 0.000 2.732 1149 T HA 0.101 4.452 4.350 0.001 0.000 0.287 1149 T C 1.228 176.005 174.700 0.127 0.000 0.993 1149 T CA -0.176 62.010 62.100 0.144 0.000 0.966 1149 T CB 0.465 69.412 68.868 0.132 0.000 1.047 1149 T HN 0.300 nan 8.240 nan 0.000 0.527 1150 E N 0.631 120.890 120.200 0.098 0.000 2.106 1150 E HA 0.001 4.351 4.350 0.001 0.000 0.192 1150 E C 2.660 179.319 176.600 0.098 0.000 0.984 1150 E CA 1.795 58.248 56.400 0.088 0.000 0.806 1150 E CB -0.679 29.061 29.700 0.066 0.000 0.750 1150 E HN 0.866 nan 8.360 nan 0.000 0.458 1151 E N 0.752 121.013 120.200 0.100 0.000 2.106 1151 E HA -0.184 4.166 4.350 0.001 0.000 0.192 1151 E C 1.760 178.441 176.600 0.136 0.000 0.984 1151 E CA 1.447 57.907 56.400 0.099 0.000 0.806 1151 E CB -0.720 29.031 29.700 0.085 0.000 0.750 1151 E HN 0.482 nan 8.360 nan 0.000 0.458 1152 E N -0.229 120.082 120.200 0.185 0.000 2.268 1152 E HA 0.056 4.407 4.350 0.001 0.000 0.195 1152 E C 2.091 178.867 176.600 0.295 0.000 0.995 1152 E CA 0.611 57.174 56.400 0.271 0.000 0.836 1152 E CB -0.037 29.915 29.700 0.420 0.000 0.763 1152 E HN 0.444 nan 8.360 nan 0.000 0.491 1153 L N 0.829 122.189 121.223 0.229 0.000 2.478 1153 L HA -0.011 4.329 4.340 0.001 0.000 0.223 1153 L C 1.364 178.354 176.870 0.199 0.000 1.140 1153 L CA 0.180 55.159 54.840 0.231 0.000 0.842 1153 L CB -0.279 41.871 42.059 0.151 0.000 0.953 1153 L HN -0.013 nan 8.230 nan 0.000 0.452 1154 K N 0.871 121.360 120.400 0.148 0.000 2.363 1154 K HA 0.407 4.727 4.320 0.001 0.000 0.289 1154 K C 1.027 177.693 176.600 0.109 0.000 1.063 1154 K CA 0.319 56.665 56.287 0.098 0.000 0.967 1154 K CB -0.610 31.934 32.500 0.073 0.000 0.987 1154 K HN 0.399 nan 8.250 nan 0.000 0.473 1155 G N 1.950 110.810 108.800 0.099 0.000 2.256 1155 G HA2 -0.177 3.783 3.960 0.001 0.000 0.272 1155 G HA3 -0.177 3.783 3.960 0.001 0.000 0.272 1155 G C -0.157 174.824 174.900 0.135 0.000 1.076 1155 G CA 0.035 45.190 45.100 0.091 0.000 0.882 1155 G HN 1.175 nan 8.290 nan 0.000 0.497 1156 F N 1.303 121.269 119.950 0.027 0.000 2.494 1156 F HA 0.516 5.043 4.527 0.000 0.000 0.369 1156 F C 0.551 176.367 175.800 0.027 0.000 1.098 1156 F CA 0.250 58.264 58.000 0.024 0.000 1.154 1156 F CB 0.302 39.309 39.000 0.012 0.000 1.103 1156 F HN 0.464 nan 8.300 nan 0.000 0.549 1157 E N 7.571 127.702 120.200 -0.115 0.000 2.073 1157 E HA 0.416 4.766 4.350 0.001 0.000 0.269 1157 E C -2.857 173.663 176.600 -0.134 0.000 0.917 1157 E CA -2.401 53.982 56.400 -0.028 0.000 0.757 1157 E CB 0.039 29.712 29.700 -0.044 0.000 1.111 1157 E HN 0.456 nan 8.360 nan 0.000 0.410 1158 P HA 0.103 nan 4.420 nan 0.000 0.266 1158 P C -0.168 177.128 177.300 -0.006 0.000 1.195 1158 P CA -0.120 63.039 63.100 0.098 0.000 0.768 1158 P CB 0.971 32.775 31.700 0.173 0.000 0.838 1159 D N 0.583 120.975 120.400 -0.013 0.000 2.355 1159 D HA 0.139 4.779 4.640 0.001 0.000 0.206 1159 D C -0.151 176.188 176.300 0.066 0.000 1.010 1159 D CA 0.959 54.947 54.000 -0.019 0.000 0.875 1159 D CB 0.247 41.018 40.800 -0.049 0.000 0.966 1159 D HN 0.259 nan 8.370 nan 0.000 0.512 1160 F N 0.336 120.229 119.950 -0.096 0.000 2.635 1160 F HA 0.262 4.790 4.527 0.000 0.000 0.314 1160 F C -1.404 174.280 175.800 -0.193 0.000 1.119 1160 F CA -0.850 57.092 58.000 -0.096 0.000 1.000 1160 F CB 1.525 40.495 39.000 -0.050 0.000 1.278 1160 F HN -0.439 nan 8.300 nan 0.000 0.446 1161 V N 5.161 124.885 119.914 -0.316 0.000 2.555 1161 V HA 0.676 4.796 4.120 0.001 0.000 0.302 1161 V C -0.975 174.966 176.094 -0.254 0.000 1.038 1161 V CA -0.866 61.204 62.300 -0.383 0.000 0.887 1161 V CB 1.812 33.213 31.823 -0.702 0.000 0.991 1161 V HN 0.531 nan 8.190 nan 0.000 0.434 1162 V N 5.811 125.550 119.914 -0.291 0.000 2.444 1162 V HA 0.465 4.585 4.120 0.001 0.000 0.294 1162 V C -0.366 175.656 176.094 -0.120 0.000 1.022 1162 V CA -0.467 61.742 62.300 -0.151 0.000 0.850 1162 V CB 1.658 33.384 31.823 -0.162 0.000 0.992 1162 V HN 0.629 nan 8.190 nan 0.000 0.426 1163 L N 4.665 125.829 121.223 -0.099 0.000 2.262 1163 L HA 0.506 4.847 4.340 0.001 0.000 0.288 1163 L C 0.151 176.969 176.870 -0.087 0.000 1.035 1163 L CA -0.285 54.500 54.840 -0.092 0.000 0.820 1163 L CB 1.141 43.136 42.059 -0.107 0.000 1.204 1163 L HN 0.560 nan 8.230 nan 0.000 0.424 1164 N N 3.488 122.139 118.700 -0.083 0.000 2.558 1164 N HA 0.317 5.057 4.740 0.001 0.000 0.233 1164 N C -0.333 175.053 175.510 -0.206 0.000 1.038 1164 N CA -0.165 52.796 53.050 -0.148 0.000 0.934 1164 N CB 1.624 40.010 38.487 -0.168 0.000 1.175 1164 N HN 0.665 nan 8.380 nan 0.000 0.512 1165 A N 2.731 125.429 122.820 -0.203 0.000 3.257 1165 A HA 0.206 4.526 4.320 0.001 0.000 0.308 1165 A C 1.418 178.850 177.584 -0.252 0.000 1.175 1165 A CA -0.411 51.506 52.037 -0.200 0.000 1.018 1165 A CB -0.466 18.454 19.000 -0.133 0.000 1.088 1165 A HN 0.653 nan 8.150 nan 0.000 0.567 1166 S N 0.992 116.418 115.700 -0.457 0.000 2.370 1166 S HA -0.246 4.224 4.470 0.001 0.000 0.226 1166 S C 1.553 175.963 174.600 -0.316 0.000 1.033 1166 S CA 1.560 59.389 58.200 -0.618 0.000 1.011 1166 S CB -0.472 61.822 63.200 -1.510 0.000 0.852 1166 S HN 0.650 nan 8.310 nan 0.000 0.457 1167 K N 1.908 122.166 120.400 -0.237 0.000 2.442 1167 K HA 0.176 4.496 4.320 0.001 0.000 0.199 1167 K C 0.815 177.486 176.600 0.118 0.000 1.044 1167 K CA 0.748 57.129 56.287 0.158 0.000 0.941 1167 K CB -0.392 32.208 32.500 0.167 0.000 0.759 1167 K HN 0.555 nan 8.250 nan 0.000 0.472 1168 A N 2.183 125.018 122.820 0.025 0.000 2.311 1168 A HA 0.467 4.787 4.320 0.001 0.000 0.334 1168 A C -0.356 177.254 177.584 0.044 0.000 1.139 1168 A CA -0.762 51.294 52.037 0.031 0.000 0.830 1168 A CB 0.892 19.884 19.000 -0.014 0.000 1.234 1168 A HN 0.141 nan 8.150 nan 0.000 0.483 1169 K N -0.241 120.192 120.400 0.054 0.000 2.495 1169 K HA 0.697 5.017 4.320 0.001 0.000 0.268 1169 K C -1.674 174.961 176.600 0.058 0.000 1.008 1169 K CA -0.786 55.539 56.287 0.064 0.000 0.882 1169 K CB 1.648 34.205 32.500 0.096 0.000 1.443 1169 K HN 0.269 nan 8.250 nan 0.000 0.447 1170 V N 1.440 121.397 119.914 0.071 0.000 2.350 1170 V HA 0.276 4.396 4.120 0.001 0.000 0.276 1170 V C 1.322 177.554 176.094 0.230 0.000 1.028 1170 V CA 0.269 62.636 62.300 0.112 0.000 0.860 1170 V CB 0.371 32.261 31.823 0.112 0.000 0.990 1170 V HN 1.069 nan 8.190 nan 0.000 0.453 1171 E N 4.078 124.384 120.200 0.177 0.000 2.102 1171 E HA -0.096 4.254 4.350 0.001 0.000 0.190 1171 E C 1.263 177.940 176.600 0.129 0.000 0.971 1171 E CA 0.931 57.447 56.400 0.194 0.000 0.821 1171 E CB -0.182 29.576 29.700 0.097 0.000 0.777 1171 E HN 0.843 nan 8.360 nan 0.000 0.460 1172 N N 1.008 119.736 118.700 0.047 0.000 2.466 1172 N HA 0.099 4.839 4.740 0.001 0.000 0.251 1172 N C 0.936 176.396 175.510 -0.083 0.000 1.164 1172 N CA 0.206 53.214 53.050 -0.070 0.000 0.888 1172 N CB -0.856 37.601 38.487 -0.049 0.000 1.177 1172 N HN 0.518 nan 8.380 nan 0.000 0.498 1173 F N -0.474 119.460 119.950 -0.026 0.000 2.333 1173 F HA 0.106 4.633 4.527 0.000 0.000 0.300 1173 F C 2.147 177.917 175.800 -0.050 0.000 1.083 1173 F CA 0.988 58.961 58.000 -0.046 0.000 1.395 1173 F CB -0.713 38.271 39.000 -0.026 0.000 1.056 1173 F HN 0.171 nan 8.300 nan 0.000 0.529 1174 K N 1.721 121.692 120.400 -0.714 0.000 2.155 1174 K HA -0.080 4.240 4.320 0.001 0.000 0.203 1174 K C 1.753 178.236 176.600 -0.195 0.000 1.052 1174 K CA 1.449 57.459 56.287 -0.462 0.000 0.948 1174 K CB -1.299 30.861 32.500 -0.566 0.000 0.728 1174 K HN 0.780 nan 8.250 nan 0.000 0.448 1175 E N 0.013 120.111 120.200 -0.170 0.000 2.385 1175 E HA 0.090 4.440 4.350 0.001 0.000 0.194 1175 E C 1.591 178.150 176.600 -0.067 0.000 1.013 1175 E CA 0.310 56.651 56.400 -0.099 0.000 0.866 1175 E CB -0.071 29.576 29.700 -0.088 0.000 0.832 1175 E HN 0.453 nan 8.360 nan 0.000 0.500 1176 L N 0.532 121.716 121.223 -0.065 0.000 2.591 1176 L HA 0.293 4.634 4.340 0.001 0.000 0.228 1176 L C 1.149 177.973 176.870 -0.076 0.000 1.133 1176 L CA 0.343 55.151 54.840 -0.053 0.000 0.880 1176 L CB 0.037 42.070 42.059 -0.044 0.000 1.033 1176 L HN 0.440 nan 8.230 nan 0.000 0.450 1177 G N 0.641 109.402 108.800 -0.065 0.000 2.182 1177 G HA2 -0.241 3.719 3.960 0.001 0.000 0.248 1177 G HA3 -0.241 3.719 3.960 0.001 0.000 0.248 1177 G C 0.057 174.864 174.900 -0.154 0.000 1.042 1177 G CA -0.015 45.048 45.100 -0.061 0.000 0.775 1177 G HN 0.209 nan 8.290 nan 0.000 0.501 1178 L N -1.044 120.109 121.223 -0.118 0.000 2.635 1178 L HA 0.495 4.836 4.340 0.001 0.000 0.250 1178 L C 1.674 178.659 176.870 0.192 0.000 1.117 1178 L CA -0.815 53.879 54.840 -0.243 0.000 0.834 1178 L CB 0.560 42.536 42.059 -0.138 0.000 1.544 1178 L HN 0.139 nan 8.230 nan 0.000 0.511 1179 N N -1.607 117.243 118.700 0.250 0.000 2.510 1179 N HA 0.019 4.759 4.740 0.001 0.000 0.186 1179 N C 0.061 175.571 175.510 0.000 0.000 1.051 1179 N CA 0.704 53.913 53.050 0.265 0.000 0.877 1179 N CB 0.848 39.525 38.487 0.316 0.000 1.183 1179 N HN 0.702 nan 8.380 nan 0.000 0.443 1180 S N -1.445 114.017 115.700 -0.398 0.000 2.843 1180 S HA 0.445 4.915 4.470 0.001 0.000 0.301 1180 S C 0.722 174.567 174.600 -1.258 0.000 1.206 1180 S CA 0.218 57.785 58.200 -1.055 0.000 0.875 1180 S CB 0.631 63.624 63.200 -0.344 0.000 1.248 1180 S HN 0.038 nan 8.310 nan 0.000 0.555 1181 E N 0.164 119.871 120.200 -0.822 0.000 2.274 1181 E HA 0.220 4.570 4.350 0.001 0.000 0.194 1181 E C 0.828 177.371 176.600 -0.094 0.000 0.996 1181 E CA 1.311 57.523 56.400 -0.314 0.000 0.840 1181 E CB -0.955 28.695 29.700 -0.084 0.000 0.772 1181 E HN 0.691 nan 8.360 nan 0.000 0.491 1182 T N 0.581 115.104 114.554 -0.052 0.000 2.897 1182 T HA 0.628 4.978 4.350 0.001 0.000 0.294 1182 T C -0.178 174.529 174.700 0.012 0.000 1.004 1182 T CA 0.366 62.491 62.100 0.043 0.000 1.106 1182 T CB 1.307 70.245 68.868 0.118 0.000 0.949 1182 T HN 0.654 nan 8.240 nan 0.000 0.520 1183 A N 2.054 124.889 122.820 0.024 0.000 2.517 1183 A HA 0.670 4.990 4.320 0.001 0.000 0.297 1183 A C -1.244 176.376 177.584 0.059 0.000 1.050 1183 A CA -0.665 51.414 52.037 0.069 0.000 0.694 1183 A CB 1.576 20.597 19.000 0.034 0.000 1.277 1183 A HN 0.627 nan 8.150 nan 0.000 0.400 1184 V N 3.013 123.009 119.914 0.136 0.000 2.443 1184 V HA 0.408 4.528 4.120 0.001 0.000 0.272 1184 V C -0.467 175.715 176.094 0.146 0.000 1.002 1184 V CA -0.414 61.927 62.300 0.069 0.000 0.840 1184 V CB 0.936 32.822 31.823 0.105 0.000 1.042 1184 V HN 0.759 nan 8.190 nan 0.000 0.446 1185 V N 3.571 123.531 119.914 0.078 0.000 2.732 1185 V HA 0.658 4.778 4.120 0.001 0.000 0.310 1185 V C -0.644 175.503 176.094 0.089 0.000 1.053 1185 V CA -0.743 61.723 62.300 0.277 0.000 0.957 1185 V CB 2.133 34.218 31.823 0.436 0.000 1.018 1185 V HN 0.579 nan 8.190 nan 0.000 0.452 1186 F N 1.752 121.885 119.950 0.305 0.000 2.529 1186 F HA 0.497 5.024 4.527 0.000 0.000 0.320 1186 F C 0.129 175.873 175.800 -0.092 0.000 1.118 1186 F CA -0.532 57.584 58.000 0.194 0.000 0.915 1186 F CB 1.820 40.906 39.000 0.144 0.000 1.161 1186 F HN 0.419 nan 8.300 nan 0.000 0.445 1187 N N 3.694 122.262 118.700 -0.220 0.000 2.524 1187 N HA 0.215 4.955 4.740 0.001 0.000 0.261 1187 N C -0.016 175.323 175.510 -0.285 0.000 0.998 1187 N CA -0.315 52.359 53.050 -0.626 0.000 0.915 1187 N CB 1.366 38.795 38.487 -1.763 0.000 1.187 1187 N HN 0.531 nan 8.380 nan 0.000 0.507 1188 L N 2.904 124.042 121.223 -0.141 0.000 2.465 1188 L HA 0.122 4.462 4.340 0.001 0.000 0.224 1188 L C 2.177 179.031 176.870 -0.027 0.000 1.145 1188 L CA 0.896 55.724 54.840 -0.021 0.000 0.834 1188 L CB -0.881 41.094 42.059 -0.140 0.000 0.944 1188 L HN 0.662 nan 8.230 nan 0.000 0.451 1189 A N -0.817 121.928 122.820 -0.126 0.000 1.898 1189 A HA -0.082 4.238 4.320 0.001 0.000 0.214 1189 A C 2.059 179.587 177.584 -0.092 0.000 1.183 1189 A CA 0.971 52.957 52.037 -0.085 0.000 0.622 1189 A CB -0.178 18.757 19.000 -0.109 0.000 0.824 1189 A HN 0.449 nan 8.150 nan 0.000 0.444 1190 E N -0.171 119.924 120.200 -0.175 0.000 2.474 1190 E HA 0.070 4.420 4.350 0.001 0.000 0.195 1190 E C -0.705 175.760 176.600 -0.224 0.000 1.039 1190 E CA -0.213 56.114 56.400 -0.121 0.000 0.881 1190 E CB 0.056 29.740 29.700 -0.027 0.000 0.970 1190 E HN 0.442 nan 8.360 nan 0.000 0.486 1191 K N 0.851 121.060 120.400 -0.319 0.000 3.451 1191 K HA -0.206 4.115 4.320 0.001 0.000 0.273 1191 K C -0.476 175.267 176.600 -1.430 0.000 0.944 1191 K CA 0.573 56.447 56.287 -0.689 0.000 0.734 1191 K CB -1.393 30.904 32.500 -0.338 0.000 1.437 1191 K HN 0.269 nan 8.250 nan 0.000 0.454 1192 M N 0.430 119.371 119.600 -1.097 0.000 2.569 1192 M HA 0.243 4.723 4.480 0.001 0.000 0.279 1192 M C -1.815 174.493 176.300 0.012 0.000 1.253 1192 M CA -0.683 54.251 55.300 -0.609 0.000 0.867 1192 M CB 2.520 35.065 32.600 -0.090 0.000 1.727 1192 M HN 0.274 nan 8.290 nan 0.000 0.467 1193 Q N 3.073 122.966 119.800 0.156 0.000 2.347 1193 Q HA 0.663 5.003 4.340 0.001 0.000 0.271 1193 Q C -2.156 173.828 176.000 -0.026 0.000 1.064 1193 Q CA -0.654 55.175 55.803 0.044 0.000 0.800 1193 Q CB 2.344 31.047 28.738 -0.058 0.000 1.304 1193 Q HN 0.825 nan 8.270 nan 0.000 0.438 1194 I N 4.389 124.913 120.570 -0.076 0.000 2.465 1194 I HA 0.438 4.609 4.170 0.001 0.000 0.291 1194 I C -0.621 175.420 176.117 -0.126 0.000 1.014 1194 I CA -0.859 60.372 61.300 -0.115 0.000 1.093 1194 I CB 1.932 39.821 38.000 -0.185 0.000 1.267 1194 I HN 0.572 nan 8.210 nan 0.000 0.431 1195 I N 7.184 127.682 120.570 -0.120 0.000 2.362 1195 I HA 0.457 4.628 4.170 0.001 0.000 0.289 1195 I C -0.804 175.242 176.117 -0.117 0.000 0.994 1195 I CA -0.466 60.769 61.300 -0.109 0.000 1.158 1195 I CB 1.457 39.387 38.000 -0.116 0.000 1.315 1195 I HN 0.303 nan 8.210 nan 0.000 0.451 1196 L N 5.825 127.001 121.223 -0.078 0.000 2.381 1196 L HA 0.440 4.780 4.340 0.001 0.000 0.268 1196 L C 0.703 177.571 176.870 -0.004 0.000 0.997 1196 L CA -0.538 54.266 54.840 -0.059 0.000 0.818 1196 L CB 1.657 43.692 42.059 -0.041 0.000 1.310 1196 L HN 0.633 nan 8.230 nan 0.000 0.416 1197 N N -0.268 118.449 118.700 0.027 0.000 2.809 1197 N HA -0.222 4.519 4.740 0.001 0.000 0.244 1197 N C -0.145 175.538 175.510 0.288 0.000 1.018 1197 N CA 1.749 54.898 53.050 0.166 0.000 0.917 1197 N CB -0.452 38.137 38.487 0.170 0.000 1.130 1197 N HN 0.744 nan 8.380 nan 0.000 0.591 1198 T N -1.725 112.918 114.554 0.148 0.000 2.792 1198 T HA 0.496 4.846 4.350 0.001 0.000 0.280 1198 T C 0.160 174.943 174.700 0.138 0.000 0.990 1198 T CA -0.402 61.848 62.100 0.249 0.000 0.960 1198 T CB 0.213 69.095 68.868 0.024 0.000 0.939 1198 T HN 0.292 nan 8.240 nan 0.000 0.439 1199 W N 3.170 124.556 121.300 0.145 0.000 3.220 1199 W HA 0.320 4.981 4.660 0.001 0.000 0.328 1199 W C 0.104 176.744 176.519 0.202 0.000 1.205 1199 W CA -0.790 56.636 57.345 0.136 0.000 1.773 1199 W CB -0.155 29.372 29.460 0.112 0.000 1.086 1199 W HN 0.687 nan 8.180 nan 0.000 0.622 1200 Y N 1.575 122.021 120.300 0.243 0.000 2.650 1200 Y HA 0.243 4.794 4.550 0.001 0.000 0.331 1200 Y C 1.570 177.458 175.900 -0.021 0.000 1.165 1200 Y CA 0.344 58.531 58.100 0.144 0.000 1.473 1200 Y CB 0.847 39.386 38.460 0.131 0.000 1.224 1200 Y HN 0.048 nan 8.280 nan 0.000 0.533 1201 G N 3.994 112.400 108.800 -0.657 0.000 2.432 1201 G HA2 -0.242 3.718 3.960 0.001 0.000 0.219 1201 G HA3 -0.242 3.718 3.960 0.001 0.000 0.219 1201 G C 1.649 175.755 174.900 -1.325 0.000 1.135 1201 G CA 0.578 44.892 45.100 -1.310 0.000 0.767 1201 G HN 0.960 nan 8.290 nan 0.000 0.550 1202 G N 0.640 108.596 108.800 -1.406 0.000 2.499 1202 G HA2 -0.154 3.807 3.960 0.001 0.000 0.221 1202 G HA3 -0.154 3.807 3.960 0.001 0.000 0.221 1202 G C 1.576 176.443 174.900 -0.055 0.000 1.109 1202 G CA 0.947 45.678 45.100 -0.615 0.000 0.749 1202 G HN 0.409 nan 8.290 nan 0.000 0.568 1203 E N 0.068 120.259 120.200 -0.015 0.000 2.150 1203 E HA -0.048 4.302 4.350 0.001 0.000 0.193 1203 E C 2.534 179.236 176.600 0.170 0.000 0.985 1203 E CA 0.675 57.171 56.400 0.161 0.000 0.814 1203 E CB -0.218 29.557 29.700 0.126 0.000 0.752 1203 E HN 0.524 nan 8.360 nan 0.000 0.466 1204 M N 0.279 119.936 119.600 0.095 0.000 2.160 1204 M HA -0.082 4.399 4.480 0.001 0.000 0.264 1204 M C 2.428 179.002 176.300 0.457 0.000 1.073 1204 M CA 1.090 56.561 55.300 0.285 0.000 1.142 1204 M CB -0.173 32.572 32.600 0.243 0.000 1.358 1204 M HN -0.079 nan 8.290 nan 0.000 0.422 1205 K N 0.751 121.370 120.400 0.365 0.000 1.973 1205 K HA -0.170 4.151 4.320 0.001 0.000 0.212 1205 K C 1.867 178.634 176.600 0.279 0.000 1.047 1205 K CA 1.332 57.783 56.287 0.273 0.000 0.937 1205 K CB 0.061 32.569 32.500 0.012 0.000 0.721 1205 K HN 0.002 nan 8.250 nan 0.000 0.440 1206 K N 0.126 120.643 120.400 0.194 0.000 2.362 1206 K HA -0.029 4.291 4.320 0.001 0.000 0.200 1206 K C 1.997 178.800 176.600 0.340 0.000 1.046 1206 K CA 1.028 57.412 56.287 0.161 0.000 0.952 1206 K CB -0.235 32.292 32.500 0.045 0.000 0.753 1206 K HN 0.457 nan 8.250 nan 0.000 0.466 1207 G N 0.901 109.948 108.800 0.413 0.000 2.404 1207 G HA2 -0.194 3.766 3.960 0.001 0.000 0.214 1207 G HA3 -0.194 3.766 3.960 0.001 0.000 0.214 1207 G C 1.493 176.654 174.900 0.435 0.000 1.189 1207 G CA 0.225 45.666 45.100 0.569 0.000 0.789 1207 G HN 0.101 nan 8.290 nan 0.000 0.533 1208 M N -0.059 119.792 119.600 0.418 0.000 2.159 1208 M HA 0.093 4.573 4.480 0.001 0.000 0.263 1208 M C 2.250 178.757 176.300 0.345 0.000 1.063 1208 M CA 0.510 56.001 55.300 0.318 0.000 1.110 1208 M CB -1.107 31.772 32.600 0.465 0.000 1.374 1208 M HN 0.272 nan 8.290 nan 0.000 0.411 1209 F N 1.224 121.316 119.950 0.237 0.000 2.126 1209 F HA -0.183 4.345 4.527 0.000 0.000 0.299 1209 F C 2.372 178.282 175.800 0.183 0.000 1.096 1209 F CA 1.520 59.656 58.000 0.227 0.000 1.255 1209 F CB -0.544 38.480 39.000 0.040 0.000 0.997 1209 F HN 0.102 nan 8.300 nan 0.000 0.479 1210 S N 0.137 115.863 115.700 0.044 0.000 2.382 1210 S HA -0.180 4.290 4.470 0.001 0.000 0.228 1210 S C 2.024 176.527 174.600 -0.162 0.000 1.027 1210 S CA 1.451 59.576 58.200 -0.126 0.000 0.991 1210 S CB -0.250 62.834 63.200 -0.194 0.000 0.823 1210 S HN 0.301 nan 8.310 nan 0.000 0.469 1211 M N 0.676 120.188 119.600 -0.147 0.000 2.200 1211 M HA 0.114 4.594 4.480 0.001 0.000 0.265 1211 M C 1.955 178.286 176.300 0.052 0.000 1.066 1211 M CA 1.106 56.312 55.300 -0.158 0.000 1.127 1211 M CB -1.095 31.299 32.600 -0.342 0.000 1.379 1211 M HN 0.307 nan 8.290 nan 0.000 0.420 1212 M N 0.236 119.883 119.600 0.078 0.000 2.159 1212 M HA -0.145 4.335 4.480 0.001 0.000 0.263 1212 M C 1.422 177.809 176.300 0.144 0.000 1.063 1212 M CA 1.217 56.572 55.300 0.091 0.000 1.110 1212 M CB -1.551 31.025 32.600 -0.040 0.000 1.374 1212 M HN 0.273 nan 8.290 nan 0.000 0.411 1213 N N -0.140 118.611 118.700 0.084 0.000 2.573 1213 N HA -0.101 4.639 4.740 0.001 0.000 0.187 1213 N C 1.347 176.996 175.510 0.231 0.000 1.107 1213 N CA 0.775 53.943 53.050 0.196 0.000 0.918 1213 N CB -0.182 38.297 38.487 -0.013 0.000 0.966 1213 N HN 0.332 nan 8.380 nan 0.000 0.448 1214 F N -0.029 119.865 119.950 -0.093 0.000 2.289 1214 F HA 0.085 4.612 4.527 0.000 0.000 0.280 1214 F C 1.882 177.544 175.800 -0.231 0.000 1.045 1214 F CA 0.556 58.408 58.000 -0.247 0.000 1.236 1214 F CB -0.572 38.128 39.000 -0.501 0.000 1.116 1214 F HN -0.155 nan 8.300 nan 0.000 0.550 1215 Y N 0.265 120.553 120.300 -0.020 0.000 2.145 1215 Y HA -0.213 4.337 4.550 0.001 0.000 0.286 1215 Y C 2.226 178.058 175.900 -0.112 0.000 1.145 1215 Y CA 1.196 59.226 58.100 -0.116 0.000 1.148 1215 Y CB -0.707 37.792 38.460 0.064 0.000 0.981 1215 Y HN 0.084 nan 8.280 nan 0.000 0.507 1216 L N -0.192 121.113 121.223 0.137 0.000 2.017 1216 L HA -0.126 4.215 4.340 0.001 0.000 0.208 1216 L C -0.596 176.300 176.870 0.044 0.000 1.073 1216 L CA 1.942 56.856 54.840 0.124 0.000 0.745 1216 L CB -1.982 40.204 42.059 0.212 0.000 0.894 1216 L HN 0.099 nan 8.230 nan 0.000 0.432 1217 P HA -0.131 nan 4.420 nan 0.000 0.218 1217 P C 2.008 179.201 177.300 -0.178 0.000 1.149 1217 P CA 1.134 64.154 63.100 -0.133 0.000 0.817 1217 P CB 0.028 31.527 31.700 -0.336 0.000 0.785 1218 L N -0.918 120.161 121.223 -0.239 0.000 2.265 1218 L HA -0.155 4.185 4.340 0.001 0.000 0.215 1218 L C 1.903 178.701 176.870 -0.121 0.000 1.117 1218 L CA 1.372 56.071 54.840 -0.235 0.000 0.782 1218 L CB -0.707 41.138 42.059 -0.358 0.000 0.914 1218 L HN 0.085 nan 8.230 nan 0.000 0.441 1219 Q N -0.652 119.109 119.800 -0.065 0.000 2.247 1219 Q HA 0.164 4.504 4.340 0.001 0.000 0.204 1219 Q C 1.268 177.264 176.000 -0.006 0.000 0.872 1219 Q CA 0.466 56.258 55.803 -0.018 0.000 0.951 1219 Q CB 0.892 29.643 28.738 0.020 0.000 1.099 1219 Q HN 0.520 nan 8.270 nan 0.000 0.501 1220 G N 1.432 110.216 108.800 -0.027 0.000 2.159 1220 G HA2 -0.263 3.697 3.960 0.001 0.000 0.256 1220 G HA3 -0.263 3.697 3.960 0.001 0.000 0.256 1220 G C 0.103 175.014 174.900 0.018 0.000 0.977 1220 G CA -0.174 44.912 45.100 -0.022 0.000 0.652 1220 G HN 0.331 nan 8.290 nan 0.000 0.531 1221 I N 1.541 122.151 120.570 0.067 0.000 2.331 1221 I HA 0.588 4.758 4.170 0.001 0.000 0.292 1221 I C 0.949 177.172 176.117 0.177 0.000 0.998 1221 I CA -0.465 60.933 61.300 0.163 0.000 1.267 1221 I CB 1.628 39.775 38.000 0.244 0.000 1.386 1221 I HN 0.262 nan 8.210 nan 0.000 0.476 1222 A N 5.295 128.241 122.820 0.211 0.000 2.371 1222 A HA 0.741 5.061 4.320 0.001 0.000 0.257 1222 A C 0.005 177.823 177.584 0.390 0.000 1.089 1222 A CA -0.317 51.873 52.037 0.255 0.000 0.794 1222 A CB 0.511 19.648 19.000 0.228 0.000 1.029 1222 A HN 0.832 nan 8.150 nan 0.000 0.488 1223 A N 2.555 125.654 122.820 0.465 0.000 2.332 1223 A HA 0.693 5.013 4.320 0.001 0.000 0.300 1223 A C -0.406 177.506 177.584 0.547 0.000 1.153 1223 A CA -0.416 51.960 52.037 0.566 0.000 0.764 1223 A CB 0.379 19.727 19.000 0.579 0.000 1.174 1223 A HN 0.817 nan 8.150 nan 0.000 0.467 1224 M N 2.571 122.443 119.600 0.453 0.000 2.464 1224 M HA 0.347 4.828 4.480 0.001 0.000 0.308 1224 M C -0.325 176.310 176.300 0.559 0.000 1.127 1224 M CA -0.347 55.324 55.300 0.618 0.000 0.913 1224 M CB 2.218 35.202 32.600 0.641 0.000 1.689 1224 M HN 0.796 nan 8.290 nan 0.000 0.445 1225 H N 3.382 122.836 119.070 0.640 0.000 2.908 1225 H HA 0.485 5.041 4.556 0.000 0.000 0.269 1225 H C -1.339 174.077 175.328 0.148 0.000 1.303 1225 H CA -0.382 55.927 56.048 0.435 0.000 1.341 1225 H CB 0.412 30.533 29.762 0.599 0.000 1.519 1225 H HN 0.955 nan 8.280 nan 0.000 0.505 1226 C N 2.334 121.463 119.300 -0.285 0.000 3.320 1226 C HA 0.676 5.137 4.460 0.001 0.000 0.335 1226 C C -0.239 174.559 174.990 -0.321 0.000 1.430 1226 C CA -0.750 57.931 59.018 -0.562 0.000 1.271 1226 C CB 1.401 28.384 27.740 -1.262 0.000 1.609 1226 C HN 0.708 nan 8.230 nan 0.000 0.457 1227 S N 1.114 116.620 115.700 -0.323 0.000 2.718 1227 S HA 0.955 5.425 4.470 0.001 0.000 0.300 1227 S C -0.418 173.968 174.600 -0.356 0.000 1.117 1227 S CA 0.097 58.163 58.200 -0.224 0.000 1.002 1227 S CB 1.601 64.680 63.200 -0.202 0.000 1.092 1227 S HN 2.590 nan 8.310 nan 0.000 0.542 1228 A N 1.165 123.757 122.820 -0.381 0.000 2.547 1228 A HA 0.759 5.079 4.320 0.001 0.000 0.297 1228 A C -0.814 176.691 177.584 -0.131 0.000 1.056 1228 A CA -0.995 50.846 52.037 -0.327 0.000 0.688 1228 A CB 0.929 19.473 19.000 -0.759 0.000 1.282 1228 A HN 1.134 nan 8.150 nan 0.000 0.400 1229 N N -0.399 118.294 118.700 -0.011 0.000 2.774 1229 N HA 0.813 5.554 4.740 0.001 0.000 0.264 1229 N C -0.588 174.917 175.510 -0.009 0.000 1.415 1229 N CA -0.174 52.874 53.050 -0.003 0.000 0.815 1229 N CB 2.179 40.669 38.487 0.005 0.000 1.514 1229 N HN 0.778 nan 8.380 nan 0.000 0.523 1230 T N -3.035 111.513 114.554 -0.011 0.000 2.716 1230 T HA 0.384 4.735 4.350 0.001 0.000 0.286 1230 T C -0.957 173.738 174.700 -0.009 0.000 1.052 1230 T CA -0.683 61.405 62.100 -0.019 0.000 1.024 1230 T CB 1.017 69.872 68.868 -0.022 0.000 1.349 1230 T HN 0.663 nan 8.240 nan 0.000 0.525 1231 D N 0.042 120.434 120.400 -0.013 0.000 2.433 1231 D HA 0.258 4.898 4.640 0.001 0.000 0.255 1231 D C 1.489 177.785 176.300 -0.007 0.000 1.226 1231 D CA -0.929 53.065 54.000 -0.010 0.000 1.015 1231 D CB 0.120 40.913 40.800 -0.013 0.000 1.091 1231 D HN 0.465 nan 8.370 nan 0.000 0.527 1232 L N -1.094 120.125 121.223 -0.007 0.000 2.353 1232 L HA -0.095 4.245 4.340 0.001 0.000 0.220 1232 L C 1.542 178.411 176.870 -0.001 0.000 1.133 1232 L CA 1.241 56.079 54.840 -0.004 0.000 0.798 1232 L CB -0.579 41.477 42.059 -0.005 0.000 0.922 1232 L HN 0.475 nan 8.230 nan 0.000 0.445 1233 E N -0.231 119.968 120.200 -0.002 0.000 2.419 1233 E HA 0.108 4.458 4.350 0.001 0.000 0.190 1233 E C 1.285 177.885 176.600 0.002 0.000 1.040 1233 E CA 0.361 56.761 56.400 0.000 0.000 0.900 1233 E CB 0.319 30.018 29.700 -0.001 0.000 1.054 1233 E HN 0.464 nan 8.360 nan 0.000 0.462 1234 G N 1.861 110.661 108.800 0.001 0.000 2.155 1234 G HA2 -0.333 3.627 3.960 0.001 0.000 0.257 1234 G HA3 -0.333 3.627 3.960 0.001 0.000 0.257 1234 G C 0.266 175.162 174.900 -0.007 0.000 0.983 1234 G CA 0.808 45.909 45.100 0.001 0.000 0.676 1234 G HN 0.208 nan 8.290 nan 0.000 0.528 1235 K N -0.854 119.540 120.400 -0.011 0.000 2.354 1235 K HA 0.555 4.876 4.320 0.001 0.000 0.238 1235 K C 0.747 177.331 176.600 -0.026 0.000 1.068 1235 K CA -0.572 55.705 56.287 -0.016 0.000 0.925 1235 K CB 0.684 33.179 32.500 -0.009 0.000 1.286 1235 K HN 0.203 nan 8.250 nan 0.000 0.500 1236 N N 0.788 119.470 118.700 -0.030 0.000 2.708 1236 N HA -0.150 4.590 4.740 0.001 0.000 0.255 1236 N C -1.275 174.198 175.510 -0.062 0.000 1.046 1236 N CA 0.025 53.051 53.050 -0.039 0.000 0.715 1236 N CB -0.908 37.560 38.487 -0.031 0.000 0.895 1236 N HN 0.436 nan 8.380 nan 0.000 0.545 1237 T N 0.956 115.457 114.554 -0.088 0.000 2.930 1237 T HA 0.418 4.768 4.350 0.001 0.000 0.306 1237 T C 0.574 175.171 174.700 -0.171 0.000 1.045 1237 T CA 0.287 62.306 62.100 -0.135 0.000 1.134 1237 T CB 1.213 69.959 68.868 -0.202 0.000 0.961 1237 T HN 0.426 nan 8.240 nan 0.000 0.545 1238 A N 3.267 125.977 122.820 -0.183 0.000 2.422 1238 A HA 0.759 5.080 4.320 0.001 0.000 0.302 1238 A C -0.398 176.978 177.584 -0.347 0.000 1.041 1238 A CA -0.991 50.870 52.037 -0.293 0.000 0.708 1238 A CB 0.960 19.767 19.000 -0.322 0.000 1.257 1238 A HN 0.919 nan 8.150 nan 0.000 0.414 1239 I N -1.380 118.924 120.570 -0.443 0.000 2.530 1239 I HA 0.844 5.015 4.170 0.001 0.000 0.297 1239 I C -1.537 174.295 176.117 -0.474 0.000 1.011 1239 I CA -0.825 60.251 61.300 -0.373 0.000 1.107 1239 I CB 1.734 39.549 38.000 -0.309 0.000 1.285 1239 I HN 0.451 nan 8.210 nan 0.000 0.436 1240 F N 4.816 124.560 119.950 -0.342 0.000 2.477 1240 F HA 0.577 5.105 4.527 0.000 0.000 0.335 1240 F C -0.653 174.920 175.800 -0.379 0.000 1.130 1240 F CA -0.542 57.319 58.000 -0.232 0.000 0.948 1240 F CB 1.590 40.478 39.000 -0.187 0.000 1.154 1240 F HN 0.297 nan 8.300 nan 0.000 0.439 1241 F N 1.366 121.317 119.950 0.002 0.000 2.450 1241 F HA 0.829 5.356 4.527 0.000 0.000 0.332 1241 F C 0.448 175.995 175.800 -0.422 0.000 1.093 1241 F CA -0.930 56.871 58.000 -0.332 0.000 1.003 1241 F CB 2.265 40.844 39.000 -0.701 0.000 1.151 1241 F HN 0.564 nan 8.300 nan 0.000 0.474 1242 G N 2.904 111.622 108.800 -0.136 0.000 2.318 1242 G HA2 0.366 4.326 3.960 0.001 0.000 0.306 1242 G HA3 0.366 4.326 3.960 0.001 0.000 0.306 1242 G C -1.531 173.522 174.900 0.256 0.000 1.696 1242 G CA -1.019 44.162 45.100 0.136 0.000 0.905 1242 G HN 0.597 nan 8.290 nan 0.000 0.700 1243 L N 0.865 122.297 121.223 0.348 0.000 2.482 1243 L HA 0.445 4.785 4.340 0.001 0.000 0.242 1243 L C 1.351 178.307 176.870 0.144 0.000 1.210 1243 L CA -0.754 54.239 54.840 0.255 0.000 0.819 1243 L CB 0.571 42.752 42.059 0.204 0.000 1.203 1243 L HN 0.552 nan 8.230 nan 0.000 0.495 1244 S N 0.291 116.059 115.700 0.114 0.000 2.561 1244 S HA 0.173 4.643 4.470 0.001 0.000 0.294 1244 S C 0.995 175.626 174.600 0.053 0.000 1.294 1244 S CA 0.627 58.869 58.200 0.070 0.000 1.055 1244 S CB 0.474 63.712 63.200 0.063 0.000 0.819 1244 S HN 1.015 nan 8.310 nan 0.000 0.503 1245 G N 1.819 110.641 108.800 0.036 0.000 2.225 1245 G HA2 -0.338 3.622 3.960 0.001 0.000 0.254 1245 G HA3 -0.338 3.622 3.960 0.001 0.000 0.254 1245 G C 0.855 175.766 174.900 0.017 0.000 0.988 1245 G CA 0.765 45.884 45.100 0.031 0.000 0.625 1245 G HN 1.012 nan 8.290 nan 0.000 0.527 1246 T N -1.250 113.323 114.554 0.031 0.000 3.113 1246 T HA 0.402 4.752 4.350 0.001 0.000 0.256 1246 T C 2.401 177.100 174.700 -0.001 0.000 1.131 1246 T CA 1.547 63.666 62.100 0.032 0.000 1.074 1246 T CB 0.055 68.975 68.868 0.086 0.000 0.944 1246 T HN 2.256 nan 8.240 nan 0.000 0.516 1247 G N 1.814 110.601 108.800 -0.022 0.000 2.143 1247 G HA2 -0.329 3.631 3.960 0.001 0.000 0.248 1247 G HA3 -0.329 3.631 3.960 0.001 0.000 0.248 1247 G C 0.755 175.614 174.900 -0.068 0.000 0.991 1247 G CA 0.570 45.639 45.100 -0.052 0.000 0.689 1247 G HN 0.559 nan 8.290 nan 0.000 0.522 1248 K N -0.061 120.308 120.400 -0.051 0.000 2.015 1248 K HA -0.183 4.137 4.320 0.001 0.000 0.216 1248 K C 2.517 179.000 176.600 -0.194 0.000 1.052 1248 K CA 2.418 58.651 56.287 -0.091 0.000 0.937 1248 K CB -0.699 31.766 32.500 -0.058 0.000 0.719 1248 K HN 0.416 nan 8.250 nan 0.000 0.446 1249 T N 0.763 115.224 114.554 -0.154 0.000 2.597 1249 T HA -0.170 4.181 4.350 0.001 0.000 0.267 1249 T C 1.936 176.521 174.700 -0.191 0.000 1.053 1249 T CA 2.456 64.454 62.100 -0.170 0.000 1.165 1249 T CB -0.726 68.074 68.868 -0.113 0.000 0.863 1249 T HN 0.432 nan 8.240 nan 0.000 0.427 1250 T N 2.479 116.944 114.554 -0.149 0.000 2.684 1250 T HA -0.013 4.337 4.350 0.001 0.000 0.267 1250 T C 2.022 176.613 174.700 -0.181 0.000 1.036 1250 T CA 1.038 63.053 62.100 -0.141 0.000 1.148 1250 T CB -0.533 68.272 68.868 -0.106 0.000 0.863 1250 T HN 0.258 nan 8.240 nan 0.000 0.436 1251 L N 1.524 122.622 121.223 -0.208 0.000 2.141 1251 L HA -0.043 4.297 4.340 0.001 0.000 0.209 1251 L C 2.634 179.210 176.870 -0.490 0.000 1.094 1251 L CA 1.244 55.941 54.840 -0.239 0.000 0.763 1251 L CB -0.616 41.361 42.059 -0.136 0.000 0.908 1251 L HN 0.359 nan 8.230 nan 0.000 0.437 1252 S N -2.801 112.454 115.700 -0.742 0.000 2.593 1252 S HA 0.024 4.495 4.470 0.001 0.000 0.217 1252 S C 0.806 175.109 174.600 -0.495 0.000 0.966 1252 S CA -0.199 57.354 58.200 -1.079 0.000 0.914 1252 S CB -0.288 62.193 63.200 -1.198 0.000 0.776 1252 S HN 0.182 nan 8.310 nan 0.000 0.523 1253 T N 3.325 117.688 114.554 -0.318 0.000 2.801 1253 T HA 0.459 4.809 4.350 0.001 0.000 0.306 1253 T C -1.211 173.404 174.700 -0.142 0.000 1.020 1253 T CA -0.471 61.517 62.100 -0.187 0.000 0.948 1253 T CB 0.886 69.669 68.868 -0.141 0.000 0.962 1253 T HN 0.264 nan 8.240 nan 0.000 0.465 1254 D N 3.807 124.142 120.400 -0.109 0.000 2.964 1254 D HA 0.265 4.905 4.640 0.001 0.000 0.234 1254 D C -1.898 174.370 176.300 -0.054 0.000 1.223 1254 D CA -2.163 51.791 54.000 -0.076 0.000 0.889 1254 D CB 2.867 43.627 40.800 -0.066 0.000 1.609 1254 D HN 0.101 nan 8.370 nan 0.000 0.523 1255 P HA -0.133 nan 4.420 nan 0.000 0.226 1255 P C 0.526 177.809 177.300 -0.027 0.000 1.146 1255 P CA 0.897 63.977 63.100 -0.034 0.000 0.773 1255 P CB 0.131 31.811 31.700 -0.033 0.000 0.772 1256 K N -1.676 118.707 120.400 -0.028 0.000 2.399 1256 K HA 0.226 4.547 4.320 0.001 0.000 0.204 1256 K C 0.671 177.260 176.600 -0.019 0.000 1.023 1256 K CA -0.429 55.846 56.287 -0.021 0.000 1.127 1256 K CB 0.493 32.980 32.500 -0.021 0.000 0.856 1256 K HN -0.138 nan 8.250 nan 0.000 0.514 1257 R N 1.191 121.677 120.500 -0.023 0.000 2.686 1257 R HA 0.431 4.771 4.340 0.001 0.000 0.283 1257 R C -1.005 175.283 176.300 -0.020 0.000 0.978 1257 R CA -0.745 55.344 56.100 -0.020 0.000 0.897 1257 R CB 1.848 32.133 30.300 -0.025 0.000 1.192 1257 R HN 0.121 nan 8.270 nan 0.000 0.457 1258 L N 3.201 124.417 121.223 -0.012 0.000 2.289 1258 L HA 0.407 4.747 4.340 0.001 0.000 0.285 1258 L C 0.343 177.208 176.870 -0.008 0.000 1.049 1258 L CA -0.746 54.092 54.840 -0.004 0.000 0.804 1258 L CB 1.236 43.299 42.059 0.006 0.000 1.195 1258 L HN 0.281 nan 8.230 nan 0.000 0.428 1259 L N 4.002 125.222 121.223 -0.006 0.000 2.367 1259 L HA 0.202 4.542 4.340 0.001 0.000 0.275 1259 L C 0.651 177.534 176.870 0.023 0.000 1.129 1259 L CA 0.465 55.300 54.840 -0.009 0.000 0.839 1259 L CB 1.409 43.462 42.059 -0.009 0.000 1.133 1259 L HN 0.761 nan 8.230 nan 0.000 0.453 1260 I N 3.342 123.931 120.570 0.032 0.000 2.810 1260 I HA 0.206 4.376 4.170 0.001 0.000 0.262 1260 I C 0.917 177.139 176.117 0.174 0.000 1.131 1260 I CA 0.402 61.758 61.300 0.093 0.000 1.453 1260 I CB 0.542 38.588 38.000 0.077 0.000 1.161 1260 I HN 0.702 nan 8.210 nan 0.000 0.444 1261 G N 0.430 109.361 108.800 0.219 0.000 2.519 1261 G HA2 0.238 4.198 3.960 0.001 0.000 0.292 1261 G HA3 0.238 4.198 3.960 0.001 0.000 0.292 1261 G C -1.354 173.629 174.900 0.137 0.000 1.507 1261 G CA -0.132 45.068 45.100 0.165 0.000 0.806 1261 G HN 0.085 nan 8.290 nan 0.000 0.523 1262 D N -1.305 119.087 120.400 -0.013 0.000 2.433 1262 D HA 0.228 4.868 4.640 0.001 0.000 0.211 1262 D C 0.552 176.767 176.300 -0.142 0.000 1.114 1262 D CA 0.335 54.288 54.000 -0.078 0.000 0.837 1262 D CB 1.350 42.082 40.800 -0.113 0.000 0.984 1262 D HN 0.374 nan 8.370 nan 0.000 0.505 1263 D N -0.334 119.959 120.400 -0.178 0.000 2.001 1263 D HA 0.037 4.677 4.640 0.001 0.000 0.348 1263 D C -0.740 175.292 176.300 -0.448 0.000 1.074 1263 D CA 0.262 54.058 54.000 -0.340 0.000 0.928 1263 D CB 0.648 41.256 40.800 -0.320 0.000 1.823 1263 D HN 0.139 nan 8.370 nan 0.000 0.540 1264 E N -0.084 119.787 120.200 -0.548 0.000 2.260 1264 E HA 0.523 4.873 4.350 0.001 0.000 0.266 1264 E C -1.188 174.712 176.600 -1.166 0.000 0.887 1264 E CA -0.647 55.327 56.400 -0.711 0.000 0.777 1264 E CB 2.030 31.312 29.700 -0.695 0.000 1.205 1264 E HN 0.188 nan 8.360 nan 0.000 0.414 1265 H N 0.442 118.984 119.070 -0.879 0.000 2.946 1265 H HA 0.723 5.280 4.556 0.000 0.000 0.365 1265 H C -0.143 174.724 175.328 -0.768 0.000 1.197 1265 H CA -0.736 54.826 56.048 -0.809 0.000 1.131 1265 H CB 2.232 31.744 29.762 -0.417 0.000 1.849 1265 H HN 0.616 nan 8.280 nan 0.000 0.555 1266 G N -0.513 107.998 108.800 -0.482 0.000 2.685 1266 G HA2 0.416 4.377 3.960 0.001 0.000 0.298 1266 G HA3 0.416 4.377 3.960 0.001 0.000 0.298 1266 G C -1.801 172.969 174.900 -0.216 0.000 1.277 1266 G CA -0.580 44.383 45.100 -0.229 0.000 0.986 1266 G HN 0.471 nan 8.290 nan 0.000 0.487 1267 W N 2.255 123.528 121.300 -0.045 0.000 2.822 1267 W HA 0.373 5.033 4.660 0.000 0.000 0.317 1267 W C -1.297 175.345 176.519 0.205 0.000 1.033 1267 W CA -1.547 55.851 57.345 0.088 0.000 1.252 1267 W CB 1.144 30.651 29.460 0.078 0.000 1.186 1267 W HN 0.812 nan 8.180 nan 0.000 0.383 1268 D N 0.997 121.815 120.400 0.696 0.000 2.627 1268 D HA 0.286 4.926 4.640 0.001 0.000 0.259 1268 D C 0.936 177.471 176.300 0.392 0.000 1.164 1268 D CA -0.202 54.079 54.000 0.467 0.000 1.087 1268 D CB 0.771 41.827 40.800 0.426 0.000 1.217 1268 D HN 0.185 nan 8.370 nan 0.000 0.630 1269 D N -0.650 119.893 120.400 0.239 0.000 2.218 1269 D HA -0.123 4.518 4.640 0.001 0.000 0.204 1269 D C 0.607 177.023 176.300 0.194 0.000 0.976 1269 D CA 0.977 55.087 54.000 0.182 0.000 0.853 1269 D CB 0.050 40.915 40.800 0.109 0.000 0.939 1269 D HN 0.403 nan 8.370 nan 0.000 0.481 1270 D N 0.258 120.777 120.400 0.198 0.000 2.271 1270 D HA 0.129 4.769 4.640 0.001 0.000 0.206 1270 D C 1.543 177.952 176.300 0.181 0.000 0.967 1270 D CA 0.734 54.827 54.000 0.156 0.000 0.867 1270 D CB 1.068 41.932 40.800 0.107 0.000 0.960 1270 D HN 0.287 nan 8.370 nan 0.000 0.509 1271 G N -0.356 108.602 108.800 0.263 0.000 2.332 1271 G HA2 0.048 4.009 3.960 0.001 0.000 0.265 1271 G HA3 0.048 4.009 3.960 0.001 0.000 0.265 1271 G C -1.530 173.391 174.900 0.035 0.000 1.329 1271 G CA -0.577 44.599 45.100 0.127 0.000 0.949 1271 G HN -0.006 nan 8.290 nan 0.000 0.476 1272 V N 1.254 121.045 119.914 -0.205 0.000 2.465 1272 V HA 0.726 4.846 4.120 0.001 0.000 0.279 1272 V C -0.188 175.960 176.094 0.091 0.000 1.045 1272 V CA 0.072 62.222 62.300 -0.249 0.000 0.938 1272 V CB 0.358 31.879 31.823 -0.503 0.000 0.986 1272 V HN 1.128 nan 8.190 nan 0.000 0.467 1273 F N 1.869 121.902 119.950 0.139 0.000 2.591 1273 F HA 0.516 5.043 4.527 0.001 0.000 0.309 1273 F C -0.571 175.377 175.800 0.246 0.000 1.098 1273 F CA -1.284 56.831 58.000 0.192 0.000 0.937 1273 F CB 1.400 40.503 39.000 0.171 0.000 1.250 1273 F HN 0.444 nan 8.300 nan 0.000 0.447 1274 N N 2.634 121.511 118.700 0.295 0.000 2.513 1274 N HA 0.206 4.947 4.740 0.001 0.000 0.268 1274 N C 0.330 176.032 175.510 0.320 0.000 1.180 1274 N CA -0.500 52.498 53.050 -0.087 0.000 0.948 1274 N CB 0.617 39.074 38.487 -0.051 0.000 1.083 1274 N HN 0.777 nan 8.380 nan 0.000 0.455 1275 F N 1.058 120.984 119.950 -0.040 0.000 2.367 1275 F HA 0.013 4.540 4.527 0.001 0.000 0.298 1275 F C 0.851 176.718 175.800 0.113 0.000 1.094 1275 F CA 0.105 58.210 58.000 0.176 0.000 1.409 1275 F CB 0.287 39.397 39.000 0.183 0.000 1.064 1275 F HN 0.475 nan 8.300 nan 0.000 0.528 1276 E N -0.540 119.727 120.200 0.111 0.000 2.239 1276 E HA 0.347 4.697 4.350 0.001 0.000 0.261 1276 E C 0.400 176.972 176.600 -0.048 0.000 1.016 1276 E CA -0.363 55.986 56.400 -0.085 0.000 0.882 1276 E CB 1.203 30.723 29.700 -0.300 0.000 1.190 1276 E HN 0.058 nan 8.360 nan 0.000 0.415 1277 G N -0.133 108.594 108.800 -0.121 0.000 3.519 1277 G HA2 0.475 4.435 3.960 0.001 0.000 0.269 1277 G HA3 0.475 4.435 3.960 0.001 0.000 0.269 1277 G C 0.103 174.893 174.900 -0.183 0.000 1.028 1277 G CA 0.327 45.391 45.100 -0.060 0.000 0.809 1277 G HN 0.578 nan 8.290 nan 0.000 0.521 1278 G N -1.344 107.283 108.800 -0.289 0.000 2.550 1278 G HA2 0.430 4.390 3.960 0.001 0.000 0.293 1278 G HA3 0.430 4.390 3.960 0.001 0.000 0.293 1278 G C -1.547 173.086 174.900 -0.445 0.000 1.402 1278 G CA -0.434 44.433 45.100 -0.387 0.000 0.784 1278 G HN 0.300 nan 8.290 nan 0.000 0.482 1279 C N -0.736 118.185 119.300 -0.631 0.000 2.456 1279 C HA 0.664 5.124 4.460 0.001 0.000 0.325 1279 C C -0.900 173.716 174.990 -0.625 0.000 1.217 1279 C CA -0.621 58.040 59.018 -0.595 0.000 1.687 1279 C CB 1.020 28.435 27.740 -0.541 0.000 2.270 1279 C HN 0.613 nan 8.230 nan 0.000 0.499 1280 Y N 2.313 122.327 120.300 -0.477 0.000 2.836 1280 Y HA 0.581 5.132 4.550 0.001 0.000 0.359 1280 Y C 0.311 176.109 175.900 -0.170 0.000 1.060 1280 Y CA -0.921 56.991 58.100 -0.314 0.000 1.161 1280 Y CB -0.185 38.148 38.460 -0.211 0.000 1.225 1280 Y HN 0.857 nan 8.280 nan 0.000 0.621 1281 A N 4.308 127.004 122.820 -0.206 0.000 2.340 1281 A HA 0.449 4.769 4.320 0.001 0.000 0.268 1281 A C -0.148 177.325 177.584 -0.184 0.000 1.100 1281 A CA -0.675 51.273 52.037 -0.149 0.000 0.803 1281 A CB 0.427 19.421 19.000 -0.010 0.000 1.043 1281 A HN 0.624 nan 8.150 nan 0.000 0.488 1282 K N 0.861 121.174 120.400 -0.145 0.000 2.249 1282 K HA 0.368 4.689 4.320 0.001 0.000 0.280 1282 K C 0.140 176.701 176.600 -0.066 0.000 1.033 1282 K CA -0.278 55.942 56.287 -0.111 0.000 0.946 1282 K CB 1.313 33.769 32.500 -0.073 0.000 1.005 1282 K HN 0.575 nan 8.250 nan 0.000 0.469 1283 V N 0.413 120.309 119.914 -0.031 0.000 2.940 1283 V HA 0.239 4.359 4.120 0.001 0.000 0.366 1283 V C 0.099 176.220 176.094 0.045 0.000 1.353 1283 V CA -0.681 61.591 62.300 -0.046 0.000 1.232 1283 V CB -0.398 31.402 31.823 -0.038 0.000 1.278 1283 V HN 0.557 nan 8.190 nan 0.000 0.546 1284 I N 2.747 123.344 120.570 0.044 0.000 2.529 1284 I HA 0.403 4.574 4.170 0.001 0.000 0.284 1284 I C 1.020 177.177 176.117 0.067 0.000 1.082 1284 I CA 0.721 62.067 61.300 0.078 0.000 1.406 1284 I CB -0.027 38.002 38.000 0.048 0.000 1.405 1284 I HN 0.550 nan 8.210 nan 0.000 0.548 1285 N N 3.991 122.757 118.700 0.111 0.000 2.721 1285 N HA -0.233 4.507 4.740 0.001 0.000 0.249 1285 N C -0.417 175.132 175.510 0.065 0.000 1.072 1285 N CA 0.468 53.575 53.050 0.094 0.000 0.710 1285 N CB -1.333 37.185 38.487 0.052 0.000 0.993 1285 N HN 0.456 nan 8.380 nan 0.000 0.547 1286 L N 0.948 122.205 121.223 0.057 0.000 2.452 1286 L HA 0.369 4.709 4.340 0.001 0.000 0.267 1286 L C 0.594 177.493 176.870 0.047 0.000 1.188 1286 L CA 0.081 54.882 54.840 -0.065 0.000 0.821 1286 L CB 1.127 42.912 42.059 -0.456 0.000 1.102 1286 L HN 0.305 nan 8.230 nan 0.000 0.470 1287 S N 1.519 117.212 115.700 -0.011 0.000 2.536 1287 S HA 0.622 5.092 4.470 0.001 0.000 0.271 1287 S C 0.314 174.698 174.600 -0.360 0.000 1.134 1287 S CA -0.267 57.846 58.200 -0.145 0.000 0.897 1287 S CB 1.475 64.597 63.200 -0.129 0.000 1.094 1287 S HN 0.806 nan 8.310 nan 0.000 0.473 1288 K N 0.693 120.501 120.400 -0.986 0.000 2.283 1288 K HA 0.181 4.501 4.320 0.001 0.000 0.202 1288 K C 2.130 178.405 176.600 -0.541 0.000 1.048 1288 K CA 1.920 57.478 56.287 -1.216 0.000 0.948 1288 K CB -1.771 29.558 32.500 -1.951 0.000 0.742 1288 K HN 0.995 nan 8.250 nan 0.000 0.458 1289 E N 1.925 121.890 120.200 -0.390 0.000 2.051 1289 E HA -0.150 4.201 4.350 0.001 0.000 0.189 1289 E C 2.066 178.567 176.600 -0.165 0.000 0.979 1289 E CA 1.209 57.468 56.400 -0.234 0.000 0.803 1289 E CB -0.602 28.986 29.700 -0.187 0.000 0.761 1289 E HN 0.700 nan 8.360 nan 0.000 0.451 1290 N N 0.701 119.313 118.700 -0.147 0.000 2.173 1290 N HA -0.026 4.715 4.740 0.001 0.000 0.184 1290 N C 0.237 175.695 175.510 -0.088 0.000 1.025 1290 N CA 1.202 54.190 53.050 -0.102 0.000 0.852 1290 N CB 0.145 38.581 38.487 -0.084 0.000 0.998 1290 N HN 0.469 nan 8.380 nan 0.000 0.427 1291 E N -0.098 120.053 120.200 -0.082 0.000 2.969 1291 E HA 0.245 4.595 4.350 0.001 0.000 0.213 1291 E C -1.966 174.630 176.600 -0.007 0.000 1.107 1291 E CA -1.529 54.845 56.400 -0.044 0.000 1.007 1291 E CB 1.571 31.253 29.700 -0.029 0.000 1.326 1291 E HN 0.125 nan 8.360 nan 0.000 0.432 1292 P HA -0.180 nan 4.420 nan 0.000 0.215 1292 P C 0.524 177.851 177.300 0.045 0.000 1.157 1292 P CA 1.106 64.203 63.100 -0.004 0.000 0.868 1292 P CB 0.341 32.016 31.700 -0.042 0.000 0.788 1293 D N -0.620 119.784 120.400 0.006 0.000 2.092 1293 D HA -0.154 4.487 4.640 0.001 0.000 0.193 1293 D C 1.992 178.273 176.300 -0.032 0.000 0.994 1293 D CA 1.149 55.145 54.000 -0.008 0.000 0.828 1293 D CB -0.881 39.913 40.800 -0.011 0.000 0.963 1293 D HN 0.189 nan 8.370 nan 0.000 0.450 1294 I N -0.112 120.453 120.570 -0.009 0.000 2.252 1294 I HA -0.195 3.976 4.170 0.001 0.000 0.245 1294 I C 2.471 178.537 176.117 -0.085 0.000 1.102 1294 I CA 0.643 61.915 61.300 -0.047 0.000 1.385 1294 I CB -0.217 37.790 38.000 0.011 0.000 1.064 1294 I HN 0.201 nan 8.210 nan 0.000 0.414 1295 W N 2.293 123.483 121.300 -0.182 0.000 2.333 1295 W HA -0.169 4.491 4.660 0.000 0.000 0.316 1295 W C 2.131 178.570 176.519 -0.134 0.000 1.215 1295 W CA 2.015 59.260 57.345 -0.166 0.000 1.278 1295 W CB -0.582 28.799 29.460 -0.131 0.000 1.154 1295 W HN 0.160 nan 8.180 nan 0.000 0.486 1296 G N -0.052 108.831 108.800 0.139 0.000 2.708 1296 G HA2 0.019 3.979 3.960 0.001 0.000 0.210 1296 G HA3 0.019 3.979 3.960 0.001 0.000 0.210 1296 G C 1.432 176.239 174.900 -0.154 0.000 1.141 1296 G CA 0.746 45.857 45.100 0.018 0.000 0.788 1296 G HN 0.353 nan 8.290 nan 0.000 0.531 1297 A N 0.119 122.773 122.820 -0.277 0.000 2.147 1297 A HA 0.408 4.729 4.320 0.001 0.000 0.211 1297 A C 1.082 178.437 177.584 -0.382 0.000 1.160 1297 A CA -0.185 51.569 52.037 -0.472 0.000 0.781 1297 A CB 0.080 18.425 19.000 -1.092 0.000 0.842 1297 A HN 0.303 nan 8.150 nan 0.000 0.475 1298 I N 2.061 122.440 120.570 -0.318 0.000 2.260 1298 I HA 0.177 4.347 4.170 0.001 0.000 0.297 1298 I C 0.275 176.296 176.117 -0.160 0.000 1.143 1298 I CA -0.008 61.170 61.300 -0.203 0.000 1.271 1298 I CB -0.298 37.558 38.000 -0.239 0.000 1.461 1298 I HN 0.415 nan 8.210 nan 0.000 0.530 1299 K N 4.526 124.887 120.400 -0.065 0.000 2.308 1299 K HA 0.515 4.836 4.320 0.001 0.000 0.268 1299 K C -0.444 176.173 176.600 0.028 0.000 0.992 1299 K CA -1.245 55.010 56.287 -0.055 0.000 0.836 1299 K CB 0.930 33.360 32.500 -0.116 0.000 1.507 1299 K HN 0.122 nan 8.250 nan 0.000 0.394 1300 R N 0.704 121.203 120.500 -0.002 0.000 2.538 1300 R HA -0.003 4.337 4.340 0.001 0.000 0.282 1300 R C -0.422 175.928 176.300 0.084 0.000 1.009 1300 R CA 1.277 57.388 56.100 0.018 0.000 1.063 1300 R CB -0.223 30.007 30.300 -0.117 0.000 0.945 1300 R HN 0.856 nan 8.270 nan 0.000 0.414 1301 N N 0.185 118.976 118.700 0.151 0.000 2.977 1301 N HA -0.159 4.581 4.740 0.001 0.000 0.178 1301 N C -0.895 174.757 175.510 0.236 0.000 1.273 1301 N CA 1.373 54.483 53.050 0.101 0.000 1.100 1301 N CB -1.387 36.959 38.487 -0.234 0.000 0.979 1301 N HN 0.620 nan 8.380 nan 0.000 0.562 1302 A N 0.639 123.578 122.820 0.197 0.000 2.351 1302 A HA 0.596 4.917 4.320 0.001 0.000 0.257 1302 A C 0.096 177.741 177.584 0.102 0.000 1.087 1302 A CA 0.078 52.194 52.037 0.132 0.000 0.798 1302 A CB 0.479 19.572 19.000 0.155 0.000 1.033 1302 A HN 0.270 nan 8.150 nan 0.000 0.488 1303 L N 2.706 123.934 121.223 0.008 0.000 2.401 1303 L HA 0.460 4.801 4.340 0.001 0.000 0.263 1303 L C -0.821 176.066 176.870 0.029 0.000 1.004 1303 L CA -0.108 54.710 54.840 -0.036 0.000 0.881 1303 L CB 0.702 42.613 42.059 -0.247 0.000 1.219 1303 L HN 0.637 nan 8.230 nan 0.000 0.441 1304 L N 3.543 124.787 121.223 0.035 0.000 2.456 1304 L HA 0.336 4.676 4.340 0.001 0.000 0.272 1304 L C 0.332 177.189 176.870 -0.022 0.000 1.189 1304 L CA 0.282 55.148 54.840 0.044 0.000 0.846 1304 L CB 0.613 42.695 42.059 0.039 0.000 1.111 1304 L HN 0.606 nan 8.230 nan 0.000 0.475 1305 E N 2.874 123.079 120.200 0.009 0.000 2.218 1305 E HA 0.229 4.580 4.350 0.001 0.000 0.263 1305 E C -0.318 176.273 176.600 -0.016 0.000 0.879 1305 E CA -0.451 55.921 56.400 -0.047 0.000 0.762 1305 E CB 0.714 30.434 29.700 0.033 0.000 1.166 1305 E HN 0.683 nan 8.360 nan 0.000 0.415 1306 N N 1.106 119.766 118.700 -0.067 0.000 2.753 1306 N HA -0.220 4.520 4.740 0.001 0.000 0.251 1306 N C 0.125 175.621 175.510 -0.023 0.000 1.097 1306 N CA 0.657 53.683 53.050 -0.040 0.000 0.786 1306 N CB -1.162 37.322 38.487 -0.005 0.000 1.137 1306 N HN 0.349 nan 8.380 nan 0.000 0.566 1307 V N -1.950 117.948 119.914 -0.028 0.000 2.881 1307 V HA 0.390 4.510 4.120 0.001 0.000 0.303 1307 V C 0.929 176.974 176.094 -0.081 0.000 1.070 1307 V CA -0.128 62.150 62.300 -0.037 0.000 1.074 1307 V CB 1.606 33.394 31.823 -0.058 0.000 1.012 1307 V HN 0.052 nan 8.190 nan 0.000 0.482 1308 T N 3.981 118.480 114.554 -0.093 0.000 2.832 1308 T HA 0.577 4.927 4.350 0.001 0.000 0.296 1308 T C -0.244 174.377 174.700 -0.131 0.000 0.968 1308 T CA -0.133 61.913 62.100 -0.090 0.000 1.107 1308 T CB 0.878 69.708 68.868 -0.064 0.000 0.916 1308 T HN 0.788 nan 8.240 nan 0.000 0.517 1309 V N 4.025 123.877 119.914 -0.103 0.000 2.638 1309 V HA 0.374 4.494 4.120 0.001 0.000 0.306 1309 V C -0.200 175.851 176.094 -0.071 0.000 1.052 1309 V CA -1.318 60.919 62.300 -0.105 0.000 0.885 1309 V CB 2.120 33.882 31.823 -0.101 0.000 0.999 1309 V HN 0.970 nan 8.190 nan 0.000 0.424 1310 D N 3.703 124.066 120.400 -0.063 0.000 2.447 1310 D HA 0.479 5.120 4.640 0.001 0.000 0.265 1310 D C 1.252 177.531 176.300 -0.036 0.000 1.250 1310 D CA 0.062 54.037 54.000 -0.043 0.000 1.046 1310 D CB 0.954 41.733 40.800 -0.035 0.000 1.095 1310 D HN 0.536 nan 8.370 nan 0.000 0.555 1311 A N -1.027 121.777 122.820 -0.027 0.000 2.015 1311 A HA -0.082 4.238 4.320 0.001 0.000 0.219 1311 A C 2.141 179.714 177.584 -0.018 0.000 1.163 1311 A CA 1.840 53.864 52.037 -0.022 0.000 0.646 1311 A CB -1.813 17.177 19.000 -0.017 0.000 0.806 1311 A HN 0.733 nan 8.150 nan 0.000 0.448 1312 N N -1.141 117.548 118.700 -0.019 0.000 2.467 1312 N HA 0.311 5.052 4.740 0.001 0.000 0.184 1312 N C 1.648 177.148 175.510 -0.017 0.000 1.106 1312 N CA 1.282 54.324 53.050 -0.014 0.000 0.892 1312 N CB -0.536 37.944 38.487 -0.011 0.000 0.969 1312 N HN 1.595 nan 8.380 nan 0.000 0.454 1313 G N -2.683 106.101 108.800 -0.028 0.000 2.176 1313 G HA2 0.222 4.183 3.960 0.001 0.000 0.232 1313 G HA3 0.222 4.183 3.960 0.001 0.000 0.232 1313 G C 0.408 175.275 174.900 -0.054 0.000 0.986 1313 G CA 0.939 46.018 45.100 -0.035 0.000 0.643 1313 G HN 1.288 nan 8.290 nan 0.000 0.522 1314 K N -0.314 120.053 120.400 -0.054 0.000 2.298 1314 K HA 0.934 5.254 4.320 0.001 0.000 0.280 1314 K C 0.357 176.881 176.600 -0.126 0.000 1.032 1314 K CA 0.438 56.682 56.287 -0.071 0.000 0.958 1314 K CB 0.929 33.406 32.500 -0.040 0.000 0.978 1314 K HN 1.937 nan 8.250 nan 0.000 0.472 1315 V N 1.123 120.911 119.914 -0.209 0.000 2.472 1315 V HA 0.549 4.670 4.120 0.001 0.000 0.290 1315 V C -0.443 175.426 176.094 -0.374 0.000 1.037 1315 V CA -0.719 61.365 62.300 -0.360 0.000 0.908 1315 V CB 1.771 33.224 31.823 -0.616 0.000 0.985 1315 V HN 0.870 nan 8.190 nan 0.000 0.454 1316 D N 3.263 123.485 120.400 -0.297 0.000 2.472 1316 D HA 0.395 5.035 4.640 0.001 0.000 0.234 1316 D C 0.339 176.569 176.300 -0.117 0.000 1.088 1316 D CA -0.355 53.555 54.000 -0.151 0.000 0.882 1316 D CB 0.679 41.441 40.800 -0.063 0.000 1.037 1316 D HN 0.393 nan 8.370 nan 0.000 0.520 1317 F N 2.030 122.014 119.950 0.056 0.000 2.293 1317 F HA 0.033 4.560 4.527 0.000 0.000 0.300 1317 F C 2.418 178.246 175.800 0.047 0.000 1.086 1317 F CA 0.777 58.812 58.000 0.057 0.000 1.375 1317 F CB -0.317 38.749 39.000 0.110 0.000 1.045 1317 F HN 0.506 nan 8.300 nan 0.000 0.516 1318 A N -1.245 121.703 122.820 0.214 0.000 2.169 1318 A HA -0.056 4.264 4.320 0.001 0.000 0.212 1318 A C 0.689 178.320 177.584 0.079 0.000 1.153 1318 A CA 0.326 52.441 52.037 0.130 0.000 0.756 1318 A CB -0.559 18.503 19.000 0.103 0.000 0.813 1318 A HN 0.156 nan 8.150 nan 0.000 0.471 1319 D N 0.970 121.407 120.400 0.061 0.000 2.348 1319 D HA 0.234 4.874 4.640 0.001 0.000 0.253 1319 D C 0.344 176.663 176.300 0.032 0.000 1.161 1319 D CA 0.025 54.043 54.000 0.030 0.000 0.876 1319 D CB 0.655 41.457 40.800 0.004 0.000 1.160 1319 D HN 0.433 nan 8.370 nan 0.000 0.459 1320 K N 1.191 121.606 120.400 0.024 0.000 3.045 1320 K HA 0.198 4.518 4.320 0.001 0.000 0.211 1320 K C 0.906 177.511 176.600 0.009 0.000 1.141 1320 K CA -0.521 55.778 56.287 0.020 0.000 1.036 1320 K CB 0.305 32.819 32.500 0.024 0.000 0.851 1320 K HN 0.193 nan 8.250 nan 0.000 0.462 1321 S N -0.168 115.534 115.700 0.003 0.000 2.345 1321 S HA -0.128 4.342 4.470 0.001 0.000 0.220 1321 S C 1.856 176.452 174.600 -0.007 0.000 1.031 1321 S CA 1.046 59.244 58.200 -0.003 0.000 0.996 1321 S CB -0.538 62.658 63.200 -0.007 0.000 0.882 1321 S HN 0.152 nan 8.310 nan 0.000 0.445 1322 V N 0.803 120.712 119.914 -0.009 0.000 2.407 1322 V HA 0.171 4.291 4.120 0.001 0.000 0.245 1322 V C 1.419 177.506 176.094 -0.013 0.000 1.041 1322 V CA 1.533 63.824 62.300 -0.014 0.000 1.040 1322 V CB -0.397 31.415 31.823 -0.018 0.000 0.671 1322 V HN 0.780 nan 8.190 nan 0.000 0.455 1323 T N -2.723 111.828 114.554 -0.005 0.000 2.786 1323 T HA 0.477 4.827 4.350 0.001 0.000 0.316 1323 T C 0.265 174.971 174.700 0.009 0.000 1.503 1323 T CA 0.351 62.450 62.100 -0.002 0.000 1.019 1323 T CB 1.851 70.717 68.868 -0.004 0.000 1.415 1323 T HN 0.166 nan 8.240 nan 0.000 0.496 1324 E N 1.022 121.226 120.200 0.008 0.000 2.400 1324 E HA 0.186 4.536 4.350 0.001 0.000 0.195 1324 E C 1.098 177.708 176.600 0.017 0.000 1.012 1324 E CA 0.595 57.005 56.400 0.016 0.000 0.875 1324 E CB -0.346 29.361 29.700 0.012 0.000 0.859 1324 E HN 0.691 nan 8.360 nan 0.000 0.498 1325 N N 2.017 120.723 118.700 0.010 0.000 2.878 1325 N HA -0.012 4.728 4.740 0.001 0.000 0.282 1325 N C -0.118 175.414 175.510 0.036 0.000 1.284 1325 N CA 0.203 53.261 53.050 0.013 0.000 1.053 1325 N CB -0.113 38.366 38.487 -0.013 0.000 1.382 1325 N HN 0.367 nan 8.380 nan 0.000 0.529 1326 T N -0.734 113.843 114.554 0.038 0.000 2.853 1326 T HA 0.231 4.581 4.350 0.001 0.000 0.298 1326 T C 0.291 175.005 174.700 0.023 0.000 0.978 1326 T CA -0.409 61.724 62.100 0.055 0.000 1.152 1326 T CB 1.226 70.150 68.868 0.094 0.000 0.914 1326 T HN 0.124 nan 8.240 nan 0.000 0.539 1327 R N 1.495 122.008 120.500 0.022 0.000 2.939 1327 R HA 0.860 5.200 4.340 0.001 0.000 0.254 1327 R C -1.173 175.148 176.300 0.036 0.000 1.123 1327 R CA -1.096 54.958 56.100 -0.077 0.000 1.020 1327 R CB 1.987 32.153 30.300 -0.223 0.000 1.206 1327 R HN 0.565 nan 8.270 nan 0.000 0.491 1328 V N 0.798 120.732 119.914 0.034 0.000 2.775 1328 V HA 0.296 4.416 4.120 0.001 0.000 0.295 1328 V C -1.202 174.984 176.094 0.153 0.000 1.226 1328 V CA -0.402 61.987 62.300 0.148 0.000 0.934 1328 V CB 2.063 33.990 31.823 0.173 0.000 1.056 1328 V HN 0.961 nan 8.190 nan 0.000 0.436 1329 S N 6.454 122.236 115.700 0.137 0.000 2.549 1329 S HA 0.995 5.466 4.470 0.001 0.000 0.297 1329 S C -0.999 173.501 174.600 -0.165 0.000 1.115 1329 S CA -0.500 57.621 58.200 -0.132 0.000 1.059 1329 S CB 1.843 64.899 63.200 -0.241 0.000 1.046 1329 S HN 1.753 nan 8.310 nan 0.000 0.506 1330 Y N -2.848 117.288 120.300 -0.273 0.000 2.521 1330 Y HA 0.647 5.197 4.550 0.000 0.000 0.326 1330 Y C -3.612 171.945 175.900 -0.573 0.000 1.176 1330 Y CA -2.638 55.202 58.100 -0.434 0.000 1.079 1330 Y CB -0.124 38.114 38.460 -0.370 0.000 1.341 1330 Y HN 0.436 nan 8.280 nan 0.000 0.456 1331 P HA 0.056 nan 4.420 nan 0.000 0.266 1331 P C 1.118 178.066 177.300 -0.587 0.000 1.186 1331 P CA 0.122 62.764 63.100 -0.764 0.000 0.767 1331 P CB 0.995 31.852 31.700 -1.406 0.000 0.820 1332 I N 2.509 122.841 120.570 -0.397 0.000 2.361 1332 I HA -0.240 3.931 4.170 0.001 0.000 0.251 1332 I C 1.411 177.532 176.117 0.007 0.000 1.133 1332 I CA 1.256 62.482 61.300 -0.124 0.000 1.413 1332 I CB -0.185 37.787 38.000 -0.047 0.000 1.073 1332 I HN 0.280 nan 8.210 nan 0.000 0.424 1333 F N -0.808 119.232 119.950 0.151 0.000 2.722 1333 F HA -0.066 4.462 4.527 0.001 0.000 0.298 1333 F C 1.915 177.849 175.800 0.223 0.000 1.175 1333 F CA 0.693 58.792 58.000 0.165 0.000 1.462 1333 F CB -1.951 37.138 39.000 0.148 0.000 1.111 1333 F HN 0.164 nan 8.300 nan 0.000 0.592 1334 H N 0.234 119.337 119.070 0.055 0.000 2.556 1334 H HA 0.172 4.728 4.556 0.000 0.000 0.268 1334 H C 0.118 175.433 175.328 -0.021 0.000 0.996 1334 H CA -0.212 55.846 56.048 0.016 0.000 1.157 1334 H CB 0.396 30.070 29.762 -0.146 0.000 1.355 1334 H HN 0.133 nan 8.280 nan 0.000 0.597 1335 I N 1.260 121.926 120.570 0.159 0.000 2.404 1335 I HA 0.014 4.184 4.170 0.001 0.000 0.293 1335 I C 1.199 177.368 176.117 0.086 0.000 0.992 1335 I CA -0.221 61.133 61.300 0.090 0.000 1.149 1335 I CB 1.992 40.054 38.000 0.103 0.000 1.315 1335 I HN 0.071 nan 8.210 nan 0.000 0.446 1336 K N 4.655 125.083 120.400 0.048 0.000 2.057 1336 K HA -0.053 4.267 4.320 0.001 0.000 0.206 1336 K C 0.372 176.995 176.600 0.038 0.000 1.050 1336 K CA 1.346 57.658 56.287 0.041 0.000 0.935 1336 K CB 0.178 32.688 32.500 0.018 0.000 0.715 1336 K HN 0.451 nan 8.250 nan 0.000 0.439 1337 N N 1.703 120.418 118.700 0.025 0.000 3.245 1337 N HA 0.161 4.901 4.740 0.001 0.000 0.296 1337 N C -0.826 174.699 175.510 0.024 0.000 1.254 1337 N CA -0.027 53.033 53.050 0.017 0.000 1.190 1337 N CB 0.094 38.580 38.487 -0.003 0.000 1.460 1337 N HN 0.292 nan 8.380 nan 0.000 0.538 1338 I N -3.207 117.389 120.570 0.043 0.000 2.846 1338 I HA 0.596 4.766 4.170 0.001 0.000 0.307 1338 I C -0.272 175.876 176.117 0.052 0.000 1.053 1338 I CA -1.288 60.044 61.300 0.052 0.000 1.050 1338 I CB 1.364 39.413 38.000 0.082 0.000 1.239 1338 I HN -0.294 nan 8.210 nan 0.000 0.439 1339 V N 3.660 123.605 119.914 0.052 0.000 2.637 1339 V HA 0.287 4.407 4.120 0.001 0.000 0.296 1339 V C 0.251 176.384 176.094 0.065 0.000 1.046 1339 V CA -0.011 62.319 62.300 0.050 0.000 1.066 1339 V CB 0.740 32.592 31.823 0.048 0.000 0.968 1339 V HN 0.735 nan 8.190 nan 0.000 0.483 1340 K N 4.984 125.417 120.400 0.056 0.000 2.435 1340 K HA 0.502 4.822 4.320 0.001 0.000 0.251 1340 K C -1.718 174.911 176.600 0.048 0.000 0.954 1340 K CA -1.346 54.977 56.287 0.060 0.000 0.820 1340 K CB 1.994 34.527 32.500 0.055 0.000 1.292 1340 K HN 0.438 nan 8.250 nan 0.000 0.436 1341 P HA 0.054 nan 4.420 nan 0.000 0.240 1341 P C -0.228 177.118 177.300 0.076 0.000 1.190 1341 P CA 0.362 63.497 63.100 0.058 0.000 0.781 1341 P CB 0.487 32.214 31.700 0.046 0.000 0.931 1342 V N 0.151 120.109 119.914 0.072 0.000 2.769 1342 V HA 0.223 4.344 4.120 0.001 0.000 0.312 1342 V C 0.394 176.545 176.094 0.096 0.000 1.061 1342 V CA -0.576 61.774 62.300 0.084 0.000 0.931 1342 V CB 1.977 33.837 31.823 0.062 0.000 1.010 1342 V HN -0.123 nan 8.190 nan 0.000 0.433 1343 S N 4.246 120.016 115.700 0.117 0.000 4.139 1343 S HA 0.299 4.770 4.470 0.001 0.000 0.215 1343 S C -0.098 174.605 174.600 0.172 0.000 1.390 1343 S CA -0.345 57.933 58.200 0.130 0.000 0.885 1343 S CB -0.853 62.421 63.200 0.124 0.000 1.560 1343 S HN 0.771 nan 8.310 nan 0.000 0.449 1344 K N -0.428 120.058 120.400 0.144 0.000 2.579 1344 K HA 0.866 5.186 4.320 0.001 0.000 0.284 1344 K C -1.208 175.447 176.600 0.093 0.000 0.990 1344 K CA -1.169 55.221 56.287 0.171 0.000 0.880 1344 K CB 1.283 33.902 32.500 0.199 0.000 1.488 1344 K HN 0.192 nan 8.250 nan 0.000 0.425 1345 A N 0.230 123.089 122.820 0.066 0.000 2.557 1345 A HA 0.743 5.064 4.320 0.001 0.000 0.292 1345 A C -3.010 174.564 177.584 -0.016 0.000 1.139 1345 A CA -1.311 50.732 52.037 0.011 0.000 0.665 1345 A CB 1.181 20.165 19.000 -0.026 0.000 1.285 1345 A HN 0.591 nan 8.150 nan 0.000 0.433 1346 P HA 0.400 nan 4.420 nan 0.000 0.273 1346 P C 0.198 177.427 177.300 -0.118 0.000 1.250 1346 P CA 0.456 63.539 63.100 -0.027 0.000 0.793 1346 P CB 0.413 32.109 31.700 -0.006 0.000 1.011 1347 A N 0.901 123.685 122.820 -0.061 0.000 2.586 1347 A HA 0.324 4.644 4.320 0.001 0.000 0.231 1347 A C 0.785 178.216 177.584 -0.254 0.000 1.055 1347 A CA 0.389 52.343 52.037 -0.138 0.000 0.756 1347 A CB -0.807 18.399 19.000 0.343 0.000 0.988 1347 A HN 0.662 nan 8.150 nan 0.000 0.509 1348 A N 1.550 123.996 122.820 -0.624 0.000 2.371 1348 A HA 0.511 4.832 4.320 0.001 0.000 0.257 1348 A C 1.008 178.580 177.584 -0.020 0.000 1.089 1348 A CA -0.275 51.544 52.037 -0.363 0.000 0.794 1348 A CB 0.342 19.025 19.000 -0.528 0.000 1.029 1348 A HN 0.788 nan 8.150 nan 0.000 0.488 1349 K N 0.412 120.794 120.400 -0.030 0.000 2.335 1349 K HA 0.124 4.445 4.320 0.001 0.000 0.195 1349 K C -0.070 176.553 176.600 0.038 0.000 1.058 1349 K CA 0.643 56.949 56.287 0.031 0.000 0.988 1349 K CB 0.304 32.806 32.500 0.004 0.000 0.880 1349 K HN 0.629 nan 8.250 nan 0.000 0.513 1350 R N 0.922 121.404 120.500 -0.030 0.000 2.513 1350 R HA 0.406 4.746 4.340 0.001 0.000 0.301 1350 R C -0.807 175.423 176.300 -0.116 0.000 0.968 1350 R CA -0.691 55.393 56.100 -0.026 0.000 0.872 1350 R CB 1.895 32.118 30.300 -0.128 0.000 1.177 1350 R HN -0.256 nan 8.270 nan 0.000 0.444 1351 V N 5.291 125.166 119.914 -0.065 0.000 2.378 1351 V HA 0.470 4.590 4.120 0.001 0.000 0.288 1351 V C 0.220 176.154 176.094 -0.268 0.000 1.016 1351 V CA -0.626 61.577 62.300 -0.160 0.000 0.840 1351 V CB 1.594 33.323 31.823 -0.158 0.000 0.994 1351 V HN 0.570 nan 8.190 nan 0.000 0.431 1352 I N 5.410 125.815 120.570 -0.274 0.000 2.330 1352 I HA 0.426 4.597 4.170 0.001 0.000 0.289 1352 I C -0.931 175.238 176.117 0.086 0.000 1.001 1352 I CA -0.304 60.893 61.300 -0.172 0.000 1.193 1352 I CB 1.234 39.046 38.000 -0.313 0.000 1.345 1352 I HN 0.366 nan 8.210 nan 0.000 0.461 1353 F N 6.794 126.843 119.950 0.165 0.000 2.350 1353 F HA 0.422 4.949 4.527 0.000 0.000 0.365 1353 F C 0.233 176.144 175.800 0.185 0.000 1.122 1353 F CA -0.844 57.264 58.000 0.179 0.000 1.139 1353 F CB 0.498 39.700 39.000 0.336 0.000 1.220 1353 F HN 0.191 nan 8.300 nan 0.000 0.499 1354 L N 2.430 123.847 121.223 0.324 0.000 2.395 1354 L HA 0.544 4.884 4.340 0.001 0.000 0.269 1354 L C 0.397 177.458 176.870 0.318 0.000 1.133 1354 L CA -0.340 54.656 54.840 0.259 0.000 0.812 1354 L CB 1.496 43.663 42.059 0.182 0.000 1.125 1354 L HN 0.573 nan 8.230 nan 0.000 0.452 1355 S N 1.518 117.373 115.700 0.258 0.000 2.562 1355 S HA 0.644 5.115 4.470 0.001 0.000 0.274 1355 S C -0.902 173.803 174.600 0.176 0.000 1.160 1355 S CA -0.538 57.812 58.200 0.250 0.000 0.933 1355 S CB 1.603 65.050 63.200 0.411 0.000 1.100 1355 S HN 0.657 nan 8.310 nan 0.000 0.468 1356 A N 3.637 126.518 122.820 0.102 0.000 2.582 1356 A HA 0.458 4.778 4.320 0.001 0.000 0.336 1356 A C -0.365 177.387 177.584 0.281 0.000 1.445 1356 A CA -0.449 51.678 52.037 0.150 0.000 0.997 1356 A CB -0.121 18.949 19.000 0.118 0.000 1.148 1356 A HN 0.739 nan 8.150 nan 0.000 0.514 1357 D N 3.035 123.688 120.400 0.422 0.000 2.359 1357 D HA 0.398 5.039 4.640 0.001 0.000 0.250 1357 D C 1.124 177.829 176.300 0.674 0.000 1.264 1357 D CA 0.530 54.902 54.000 0.620 0.000 0.911 1357 D CB 0.994 42.183 40.800 0.648 0.000 1.056 1357 D HN 0.420 nan 8.370 nan 0.000 0.499 1358 A N 3.530 126.638 122.820 0.481 0.000 2.168 1358 A HA -0.049 4.272 4.320 0.001 0.000 0.215 1358 A C 1.451 178.984 177.584 -0.086 0.000 1.152 1358 A CA 0.472 52.493 52.037 -0.027 0.000 0.716 1358 A CB -0.518 18.245 19.000 -0.395 0.000 0.794 1358 A HN 0.606 nan 8.150 nan 0.000 0.465 1359 F N -0.413 119.660 119.950 0.205 0.000 2.710 1359 F HA 0.265 4.793 4.527 0.000 0.000 0.298 1359 F C 1.921 177.875 175.800 0.257 0.000 1.137 1359 F CA 0.563 58.671 58.000 0.179 0.000 1.444 1359 F CB -0.264 38.846 39.000 0.182 0.000 1.111 1359 F HN 0.331 nan 8.300 nan 0.000 0.580 1360 G N 0.511 109.614 108.800 0.505 0.000 2.249 1360 G HA2 -0.262 3.698 3.960 0.001 0.000 0.273 1360 G HA3 -0.262 3.698 3.960 0.001 0.000 0.273 1360 G C 0.815 176.065 174.900 0.584 0.000 1.036 1360 G CA 0.492 45.896 45.100 0.507 0.000 0.824 1360 G HN 0.282 nan 8.290 nan 0.000 0.504 1361 V N -0.024 120.171 119.914 0.468 0.000 2.521 1361 V HA 0.267 4.387 4.120 0.001 0.000 0.239 1361 V C 1.909 178.274 176.094 0.451 0.000 1.053 1361 V CA 0.973 63.492 62.300 0.364 0.000 1.073 1361 V CB -0.200 31.635 31.823 0.020 0.000 0.746 1361 V HN 0.414 nan 8.190 nan 0.000 0.476 1362 L N 3.521 124.898 121.223 0.257 0.000 2.490 1362 L HA 0.155 4.495 4.340 0.001 0.000 0.274 1362 L C -2.021 174.979 176.870 0.216 0.000 1.201 1362 L CA -1.109 53.836 54.840 0.176 0.000 0.869 1362 L CB -0.068 42.090 42.059 0.165 0.000 1.123 1362 L HN 0.178 nan 8.230 nan 0.000 0.484 1363 P HA 0.177 nan 4.420 nan 0.000 0.276 1363 P C -2.303 175.015 177.300 0.030 0.000 1.244 1363 P CA -1.730 61.428 63.100 0.097 0.000 0.801 1363 P CB 0.437 32.177 31.700 0.067 0.000 1.006 1364 P HA -0.151 nan 4.420 nan 0.000 0.216 1364 P C 0.416 177.708 177.300 -0.014 0.000 1.154 1364 P CA 1.567 64.674 63.100 0.012 0.000 0.865 1364 P CB 0.163 31.864 31.700 0.002 0.000 0.789 1365 V N -2.192 117.701 119.914 -0.036 0.000 2.817 1365 V HA 0.470 4.590 4.120 0.001 0.000 0.303 1365 V C -1.454 174.590 176.094 -0.083 0.000 1.151 1365 V CA -0.567 61.705 62.300 -0.046 0.000 0.929 1365 V CB 2.361 34.173 31.823 -0.019 0.000 1.030 1365 V HN -0.194 nan 8.190 nan 0.000 0.427 1366 S N 6.767 122.372 115.700 -0.158 0.000 2.500 1366 S HA 0.671 5.142 4.470 0.001 0.000 0.301 1366 S C -0.561 173.975 174.600 -0.107 0.000 1.092 1366 S CA -0.492 57.566 58.200 -0.237 0.000 1.030 1366 S CB 1.635 64.373 63.200 -0.770 0.000 1.031 1366 S HN 0.674 nan 8.310 nan 0.000 0.483 1367 I N 3.512 124.046 120.570 -0.060 0.000 2.291 1367 I HA 0.199 4.369 4.170 0.001 0.000 0.292 1367 I C -0.814 175.215 176.117 -0.148 0.000 1.064 1367 I CA -0.596 60.608 61.300 -0.160 0.000 1.269 1367 I CB 0.319 38.274 38.000 -0.074 0.000 1.418 1367 I HN 0.289 nan 8.210 nan 0.000 0.485 1368 L N 5.927 127.025 121.223 -0.207 0.000 2.418 1368 L HA 0.271 4.611 4.340 0.001 0.000 0.265 1368 L C 0.761 177.603 176.870 -0.047 0.000 1.143 1368 L CA 0.419 55.233 54.840 -0.045 0.000 0.809 1368 L CB 1.289 43.368 42.059 0.033 0.000 1.124 1368 L HN 0.694 nan 8.230 nan 0.000 0.456 1369 S N 1.165 116.890 115.700 0.042 0.000 2.713 1369 S HA 0.408 4.878 4.470 0.001 0.000 0.283 1369 S C 0.950 175.580 174.600 0.050 0.000 1.161 1369 S CA -0.731 57.482 58.200 0.023 0.000 0.999 1369 S CB 1.075 64.296 63.200 0.036 0.000 1.039 1369 S HN 0.552 nan 8.310 nan 0.000 0.548 1370 K N 0.725 121.141 120.400 0.026 0.000 2.059 1370 K HA -0.217 4.103 4.320 0.001 0.000 0.212 1370 K C 2.667 179.314 176.600 0.079 0.000 1.050 1370 K CA 2.202 58.510 56.287 0.036 0.000 0.927 1370 K CB -0.915 31.592 32.500 0.012 0.000 0.714 1370 K HN 0.864 nan 8.250 nan 0.000 0.447 1371 E N 1.457 121.701 120.200 0.074 0.000 2.028 1371 E HA -0.228 4.122 4.350 0.001 0.000 0.191 1371 E C 1.833 178.527 176.600 0.158 0.000 0.988 1371 E CA 1.499 57.951 56.400 0.087 0.000 0.799 1371 E CB -0.711 29.011 29.700 0.037 0.000 0.755 1371 E HN 0.490 nan 8.360 nan 0.000 0.447 1372 Q N -0.371 119.546 119.800 0.195 0.000 2.226 1372 Q HA -0.096 4.245 4.340 0.001 0.000 0.204 1372 Q C 2.511 178.827 176.000 0.528 0.000 0.975 1372 Q CA 1.756 57.787 55.803 0.380 0.000 0.866 1372 Q CB -0.157 28.824 28.738 0.405 0.000 0.915 1372 Q HN 0.576 nan 8.270 nan 0.000 0.440 1373 T N 0.795 115.572 114.554 0.372 0.000 2.777 1373 T HA -0.110 4.240 4.350 0.001 0.000 0.266 1373 T C 1.575 176.550 174.700 0.458 0.000 1.040 1373 T CA 1.097 63.471 62.100 0.455 0.000 1.141 1373 T CB -0.005 69.005 68.868 0.236 0.000 0.868 1373 T HN 0.227 nan 8.240 nan 0.000 0.444 1374 K N -0.009 120.571 120.400 0.301 0.000 2.057 1374 K HA -0.070 4.250 4.320 0.001 0.000 0.206 1374 K C 2.143 178.899 176.600 0.259 0.000 1.050 1374 K CA 1.213 57.661 56.287 0.268 0.000 0.935 1374 K CB -0.324 32.290 32.500 0.191 0.000 0.715 1374 K HN 0.349 nan 8.250 nan 0.000 0.439 1375 Y N 0.483 120.839 120.300 0.093 0.000 2.145 1375 Y HA -0.287 4.263 4.550 0.000 0.000 0.286 1375 Y C 1.806 177.624 175.900 -0.137 0.000 1.145 1375 Y CA 1.605 59.642 58.100 -0.105 0.000 1.148 1375 Y CB -0.285 37.955 38.460 -0.366 0.000 0.981 1375 Y HN 0.030 nan 8.280 nan 0.000 0.507 1376 Y N -1.628 118.845 120.300 0.288 0.000 2.439 1376 Y HA -0.161 4.389 4.550 0.000 0.000 0.292 1376 Y C 2.186 178.034 175.900 -0.087 0.000 1.130 1376 Y CA 1.350 59.581 58.100 0.218 0.000 1.254 1376 Y CB -0.559 38.156 38.460 0.426 0.000 1.000 1376 Y HN 0.273 nan 8.280 nan 0.000 0.554 1377 F N -0.198 119.630 119.950 -0.204 0.000 2.163 1377 F HA -0.147 4.380 4.527 0.001 0.000 0.297 1377 F C 1.689 177.267 175.800 -0.370 0.000 1.094 1377 F CA 1.278 59.009 58.000 -0.449 0.000 1.290 1377 F CB -0.174 38.676 39.000 -0.250 0.000 1.017 1377 F HN -0.102 nan 8.300 nan 0.000 0.483 1378 L N -0.610 120.425 121.223 -0.312 0.000 2.201 1378 L HA -0.166 4.174 4.340 0.001 0.000 0.212 1378 L C 2.399 178.849 176.870 -0.701 0.000 1.105 1378 L CA 1.000 55.527 54.840 -0.521 0.000 0.775 1378 L CB -0.690 41.067 42.059 -0.503 0.000 0.913 1378 L HN 0.068 nan 8.230 nan 0.000 0.440 1379 S N -0.237 115.129 115.700 -0.557 0.000 2.345 1379 S HA 0.018 4.488 4.470 0.001 0.000 0.219 1379 S C 1.390 175.881 174.600 -0.182 0.000 1.031 1379 S CA 0.843 58.838 58.200 -0.342 0.000 0.984 1379 S CB -0.436 62.720 63.200 -0.074 0.000 0.874 1379 S HN 0.563 nan 8.310 nan 0.000 0.451 1380 G N 1.971 110.522 108.800 -0.415 0.000 2.351 1380 G HA2 -0.266 3.694 3.960 0.001 0.000 0.297 1380 G HA3 -0.266 3.694 3.960 0.001 0.000 0.297 1380 G C -0.228 174.584 174.900 -0.146 0.000 1.054 1380 G CA 0.068 44.722 45.100 -0.743 0.000 1.123 1380 G HN 0.414 nan 8.290 nan 0.000 0.512 1381 F N 0.866 120.813 119.950 -0.005 0.000 2.412 1381 F HA 0.644 5.171 4.527 0.000 0.000 0.348 1381 F C 0.568 176.412 175.800 0.073 0.000 1.102 1381 F CA 0.419 58.392 58.000 -0.044 0.000 1.196 1381 F CB 1.608 40.682 39.000 0.124 0.000 1.144 1381 F HN 0.803 nan 8.300 nan 0.000 0.541 1382 T N 5.040 118.973 114.554 -1.034 0.000 3.759 1382 T HA 0.569 4.919 4.350 0.001 0.000 0.220 1382 T C 0.052 174.371 174.700 -0.634 0.000 0.703 1382 T CA -0.277 61.398 62.100 -0.707 0.000 1.428 1382 T CB -0.929 67.838 68.868 -0.168 0.000 0.942 1382 T HN 1.082 nan 8.240 nan 0.000 0.580 1398 T N -1.560 112.728 114.554 -0.443 0.000 2.797 1398 T HA 0.795 5.145 4.350 0.001 0.000 0.279 1398 T C -0.547 173.832 174.700 -0.534 0.000 0.991 1398 T CA -0.560 61.320 62.100 -0.367 0.000 0.979 1398 T CB 1.081 69.836 68.868 -0.188 0.000 0.943 1398 T HN -0.066 nan 8.240 nan 0.000 0.444 1399 F N 1.878 121.816 119.950 -0.020 0.000 2.449 1399 F HA 0.646 5.173 4.527 0.000 0.000 0.342 1399 F C 0.662 176.427 175.800 -0.058 0.000 1.127 1399 F CA -0.801 57.167 58.000 -0.053 0.000 0.975 1399 F CB 2.245 41.209 39.000 -0.060 0.000 1.146 1399 F HN 0.643 nan 8.300 nan 0.000 0.444 1400 S N 2.304 118.026 115.700 0.038 0.000 2.756 1400 S HA 0.307 4.777 4.470 0.001 0.000 0.303 1400 S C -0.461 174.053 174.600 -0.144 0.000 1.135 1400 S CA -0.471 57.722 58.200 -0.012 0.000 1.066 1400 S CB 0.904 64.099 63.200 -0.008 0.000 1.008 1400 S HN 0.564 nan 8.310 nan 0.000 0.482 1401 S N 2.838 118.515 115.700 -0.040 0.000 2.544 1401 S HA 0.099 4.569 4.470 0.001 0.000 0.290 1401 S C 0.855 175.244 174.600 -0.352 0.000 1.276 1401 S CA 0.308 58.423 58.200 -0.142 0.000 1.075 1401 S CB -0.825 62.502 63.200 0.212 0.000 0.849 1401 S HN 1.143 nan 8.310 nan 0.000 0.494 1402 C N 3.932 122.775 119.300 -0.762 0.000 4.331 1402 C HA -0.231 4.229 4.460 0.001 0.000 0.293 1402 C C 0.604 175.485 174.990 -0.181 0.000 1.436 1402 C CA 0.412 58.789 59.018 -1.068 0.000 1.993 1402 C CB -3.289 23.989 27.740 -0.770 0.000 1.266 1402 C HN 1.117 nan 8.230 nan 0.000 0.795 1403 F N -2.406 117.462 119.950 -0.136 0.000 3.084 1403 F HA -0.130 4.397 4.527 0.000 0.000 0.286 1403 F C 1.056 177.042 175.800 0.311 0.000 0.855 1403 F CA 1.543 59.647 58.000 0.172 0.000 1.091 1403 F CB -1.603 37.620 39.000 0.371 0.000 1.177 1403 F HN 0.900 nan 8.300 nan 0.000 0.542 1404 G N -1.518 107.407 108.800 0.208 0.000 4.918 1404 G HA2 0.525 4.485 3.960 0.001 0.000 0.220 1404 G HA3 0.525 4.485 3.960 0.001 0.000 0.220 1404 G C 0.521 175.384 174.900 -0.062 0.000 2.090 1404 G CA 0.012 45.206 45.100 0.157 0.000 0.632 1404 G HN 0.622 nan 8.290 nan 0.000 0.234 1405 A N 0.622 123.378 122.820 -0.107 0.000 1.940 1405 A HA 0.218 4.539 4.320 0.001 0.000 0.219 1405 A C 2.697 180.157 177.584 -0.206 0.000 1.176 1405 A CA 2.589 54.577 52.037 -0.081 0.000 0.631 1405 A CB -0.350 18.669 19.000 0.032 0.000 0.814 1405 A HN 1.513 nan 8.150 nan 0.000 0.446 1406 A N -1.624 120.905 122.820 -0.485 0.000 2.178 1406 A HA 0.109 4.430 4.320 0.001 0.000 0.218 1406 A C 1.326 178.494 177.584 -0.694 0.000 1.157 1406 A CA 1.258 52.897 52.037 -0.663 0.000 0.689 1406 A CB -0.637 17.830 19.000 -0.888 0.000 0.787 1406 A HN 0.534 nan 8.150 nan 0.000 0.465 1407 F N -1.739 118.185 119.950 -0.044 0.000 2.682 1407 F HA 0.363 4.891 4.527 0.001 0.000 0.308 1407 F C -0.052 175.630 175.800 -0.198 0.000 1.093 1407 F CA -1.198 56.742 58.000 -0.099 0.000 1.244 1407 F CB -0.013 38.967 39.000 -0.034 0.000 1.052 1407 F HN -0.107 nan 8.300 nan 0.000 0.573 1408 L N 1.722 122.905 121.223 -0.068 0.000 2.407 1408 L HA 0.174 4.515 4.340 0.001 0.000 0.282 1408 L C 1.426 178.388 176.870 0.153 0.000 1.110 1408 L CA 0.247 55.047 54.840 -0.066 0.000 0.863 1408 L CB 0.054 42.085 42.059 -0.046 0.000 1.207 1408 L HN 0.221 nan 8.230 nan 0.000 0.454 1409 T N 0.659 115.314 114.554 0.167 0.000 3.086 1409 T HA 0.356 4.706 4.350 0.001 0.000 0.250 1409 T C 0.581 175.406 174.700 0.208 0.000 1.074 1409 T CA -0.010 62.143 62.100 0.089 0.000 0.988 1409 T CB 0.023 68.861 68.868 -0.050 0.000 0.988 1409 T HN 0.211 nan 8.240 nan 0.000 0.530 1410 L N 1.242 122.665 121.223 0.332 0.000 2.309 1410 L HA 0.550 4.890 4.340 0.001 0.000 0.261 1410 L C -2.551 174.296 176.870 -0.037 0.000 1.021 1410 L CA -3.225 51.691 54.840 0.126 0.000 0.823 1410 L CB 2.333 44.282 42.059 -0.182 0.000 1.366 1410 L HN -0.214 nan 8.230 nan 0.000 0.423 1411 P HA 0.040 nan 4.420 nan 0.000 0.264 1411 P C -2.235 174.659 177.300 -0.677 0.000 1.193 1411 P CA -1.066 61.337 63.100 -1.162 0.000 0.763 1411 P CB 0.252 31.521 31.700 -0.719 0.000 0.810 1412 P HA -0.223 nan 4.420 nan 0.000 0.217 1412 P C 1.356 178.673 177.300 0.030 0.000 1.151 1412 P CA 2.084 65.070 63.100 -0.190 0.000 0.849 1412 P CB -0.832 30.755 31.700 -0.189 0.000 0.787 1413 T N -1.914 112.590 114.554 -0.084 0.000 2.849 1413 T HA -0.161 4.189 4.350 0.001 0.000 0.270 1413 T C 1.856 176.549 174.700 -0.013 0.000 1.066 1413 T CA 1.527 63.632 62.100 0.008 0.000 1.130 1413 T CB -0.581 68.276 68.868 -0.019 0.000 0.864 1413 T HN 0.069 nan 8.240 nan 0.000 0.481 1414 K N 0.684 121.008 120.400 -0.127 0.000 2.097 1414 K HA -0.001 4.319 4.320 0.001 0.000 0.205 1414 K C 1.725 178.191 176.600 -0.222 0.000 1.050 1414 K CA 1.157 57.306 56.287 -0.230 0.000 0.938 1414 K CB -0.634 31.617 32.500 -0.416 0.000 0.718 1414 K HN 0.551 nan 8.250 nan 0.000 0.442 1415 Y N -0.442 119.885 120.300 0.046 0.000 2.337 1415 Y HA 0.091 4.641 4.550 0.001 0.000 0.293 1415 Y C 2.157 178.191 175.900 0.223 0.000 1.123 1415 Y CA 0.907 59.113 58.100 0.176 0.000 1.201 1415 Y CB -0.368 38.265 38.460 0.289 0.000 1.011 1415 Y HN 0.129 nan 8.280 nan 0.000 0.545 1416 A N 0.081 123.130 122.820 0.382 0.000 1.897 1416 A HA -0.177 4.144 4.320 0.001 0.000 0.215 1416 A C 2.163 179.776 177.584 0.048 0.000 1.181 1416 A CA 1.530 53.719 52.037 0.253 0.000 0.620 1416 A CB -0.612 18.600 19.000 0.354 0.000 0.821 1416 A HN 0.482 nan 8.150 nan 0.000 0.443 1417 E N 0.138 120.358 120.200 0.034 0.000 2.038 1417 E HA -0.160 4.190 4.350 0.001 0.000 0.195 1417 E C 1.805 178.364 176.600 -0.068 0.000 1.000 1417 E CA 1.866 58.253 56.400 -0.022 0.000 0.803 1417 E CB -0.165 29.512 29.700 -0.037 0.000 0.750 1417 E HN 0.292 nan 8.360 nan 0.000 0.448 1418 V N 1.437 121.307 119.914 -0.073 0.000 2.515 1418 V HA -0.216 3.905 4.120 0.001 0.000 0.250 1418 V C 2.440 178.443 176.094 -0.150 0.000 1.058 1418 V CA 1.293 63.533 62.300 -0.100 0.000 1.064 1418 V CB -0.493 31.287 31.823 -0.072 0.000 0.675 1418 V HN 0.322 nan 8.190 nan 0.000 0.461 1419 L N 0.226 121.373 121.223 -0.127 0.000 1.994 1419 L HA -0.097 4.243 4.340 0.001 0.000 0.208 1419 L C 2.337 179.028 176.870 -0.299 0.000 1.071 1419 L CA 1.994 56.705 54.840 -0.214 0.000 0.745 1419 L CB -0.530 41.329 42.059 -0.334 0.000 0.892 1419 L HN 0.127 nan 8.230 nan 0.000 0.431 1420 V N -0.382 119.408 119.914 -0.206 0.000 2.667 1420 V HA -0.235 3.886 4.120 0.001 0.000 0.252 1420 V C 2.607 178.578 176.094 -0.205 0.000 1.065 1420 V CA 1.737 63.932 62.300 -0.175 0.000 1.083 1420 V CB -0.648 31.125 31.823 -0.084 0.000 0.692 1420 V HN 0.493 nan 8.190 nan 0.000 0.468 1421 K N 0.014 120.289 120.400 -0.209 0.000 2.002 1421 K HA -0.165 4.155 4.320 0.001 0.000 0.209 1421 K C 2.437 178.858 176.600 -0.298 0.000 1.048 1421 K CA 1.197 57.367 56.287 -0.196 0.000 0.930 1421 K CB -0.060 32.346 32.500 -0.157 0.000 0.714 1421 K HN 0.182 nan 8.250 nan 0.000 0.438 1422 R N 0.274 120.469 120.500 -0.508 0.000 2.120 1422 R HA -0.063 4.277 4.340 0.001 0.000 0.234 1422 R C 2.181 177.989 176.300 -0.819 0.000 1.123 1422 R CA 1.297 56.890 56.100 -0.845 0.000 0.975 1422 R CB -0.453 28.830 30.300 -1.695 0.000 0.866 1422 R HN 0.408 nan 8.270 nan 0.000 0.446 1423 M N 0.155 119.350 119.600 -0.675 0.000 2.132 1423 M HA -0.119 4.361 4.480 0.001 0.000 0.263 1423 M C 1.896 178.128 176.300 -0.113 0.000 1.065 1423 M CA 1.564 56.685 55.300 -0.297 0.000 1.122 1423 M CB -0.216 32.270 32.600 -0.190 0.000 1.365 1423 M HN 0.118 nan 8.290 nan 0.000 0.411 1424 E N 0.580 120.701 120.200 -0.133 0.000 2.058 1424 E HA -0.187 4.163 4.350 0.001 0.000 0.194 1424 E C 2.031 178.608 176.600 -0.038 0.000 0.997 1424 E CA 1.372 57.730 56.400 -0.070 0.000 0.801 1424 E CB -0.237 29.419 29.700 -0.074 0.000 0.746 1424 E HN 0.512 nan 8.360 nan 0.000 0.450 1425 A N 1.045 123.833 122.820 -0.054 0.000 2.076 1425 A HA -0.172 4.148 4.320 0.001 0.000 0.220 1425 A C 2.120 179.733 177.584 0.049 0.000 1.160 1425 A CA 1.870 53.903 52.037 -0.006 0.000 0.653 1425 A CB -0.294 18.698 19.000 -0.015 0.000 0.801 1425 A HN 0.308 nan 8.150 nan 0.000 0.455 1426 S N -3.300 112.449 115.700 0.081 0.000 2.603 1426 S HA 0.431 4.902 4.470 0.001 0.000 0.232 1426 S C 1.219 175.875 174.600 0.093 0.000 1.016 1426 S CA 0.963 59.241 58.200 0.130 0.000 0.976 1426 S CB -0.018 63.338 63.200 0.261 0.000 0.921 1426 S HN 1.874 nan 8.310 nan 0.000 0.516 1427 G N 1.547 110.380 108.800 0.055 0.000 2.179 1427 G HA2 -0.135 3.825 3.960 0.001 0.000 0.257 1427 G HA3 -0.135 3.825 3.960 0.001 0.000 0.257 1427 G C 0.395 175.323 174.900 0.047 0.000 1.010 1427 G CA 0.041 45.162 45.100 0.035 0.000 0.736 1427 G HN 1.323 nan 8.290 nan 0.000 0.513 1428 A N -0.630 122.238 122.820 0.081 0.000 2.466 1428 A HA 0.595 4.915 4.320 0.001 0.000 0.238 1428 A C 0.621 178.218 177.584 0.022 0.000 1.074 1428 A CA 0.775 52.871 52.037 0.098 0.000 0.774 1428 A CB 0.379 19.516 19.000 0.227 0.000 1.015 1428 A HN 0.533 nan 8.150 nan 0.000 0.498 1429 K N 0.429 120.836 120.400 0.012 0.000 2.378 1429 K HA 0.611 4.931 4.320 0.001 0.000 0.252 1429 K C -0.514 175.943 176.600 -0.238 0.000 0.931 1429 K CA -0.394 55.811 56.287 -0.138 0.000 0.794 1429 K CB 2.346 34.760 32.500 -0.145 0.000 1.181 1429 K HN 0.825 nan 8.250 nan 0.000 0.425 1430 A N 2.544 125.103 122.820 -0.435 0.000 2.295 1430 A HA 0.703 5.023 4.320 0.001 0.000 0.318 1430 A C -1.391 175.781 177.584 -0.687 0.000 1.134 1430 A CA -0.414 51.340 52.037 -0.473 0.000 0.827 1430 A CB 0.325 19.051 19.000 -0.457 0.000 1.136 1430 A HN 0.676 nan 8.150 nan 0.000 0.493 1431 Y N 0.294 120.437 120.300 -0.263 0.000 2.433 1431 Y HA 0.473 5.024 4.550 0.000 0.000 0.337 1431 Y C -0.492 175.353 175.900 -0.092 0.000 1.026 1431 Y CA -0.728 57.278 58.100 -0.156 0.000 1.037 1431 Y CB 1.981 40.355 38.460 -0.143 0.000 1.245 1431 Y HN 0.634 nan 8.280 nan 0.000 0.443 1432 L N 4.225 125.469 121.223 0.034 0.000 2.276 1432 L HA 0.756 5.096 4.340 0.001 0.000 0.286 1432 L C -1.157 175.721 176.870 0.014 0.000 1.061 1432 L CA -0.385 54.489 54.840 0.057 0.000 0.807 1432 L CB 0.857 42.783 42.059 -0.222 0.000 1.177 1432 L HN 0.473 nan 8.230 nan 0.000 0.429 1433 V N 4.664 124.643 119.914 0.108 0.000 2.540 1433 V HA 0.425 4.545 4.120 0.001 0.000 0.302 1433 V C -0.508 175.648 176.094 0.104 0.000 1.035 1433 V CA -0.801 61.542 62.300 0.072 0.000 0.873 1433 V CB 1.802 33.669 31.823 0.072 0.000 0.992 1433 V HN 0.809 nan 8.190 nan 0.000 0.428 1434 N N 2.572 121.318 118.700 0.076 0.000 2.462 1434 N HA 0.227 4.968 4.740 0.001 0.000 0.242 1434 N C 0.803 176.343 175.510 0.051 0.000 1.010 1434 N CA 0.011 53.128 53.050 0.112 0.000 0.939 1434 N CB 1.522 40.093 38.487 0.140 0.000 1.127 1434 N HN 0.774 nan 8.380 nan 0.000 0.509 1435 T N -0.313 114.257 114.554 0.027 0.000 3.122 1435 T HA 0.295 4.645 4.350 0.001 0.000 0.250 1435 T C 1.112 175.697 174.700 -0.191 0.000 1.067 1435 T CA -0.054 62.008 62.100 -0.063 0.000 0.966 1435 T CB 0.149 68.987 68.868 -0.050 0.000 1.002 1435 T HN 0.328 nan 8.240 nan 0.000 0.542 1436 G N 0.440 109.163 108.800 -0.129 0.000 3.311 1436 G HA2 0.473 4.433 3.960 0.001 0.000 0.169 1436 G HA3 0.473 4.433 3.960 0.001 0.000 0.169 1436 G C -0.339 174.308 174.900 -0.422 0.000 1.852 1436 G CA -0.789 44.099 45.100 -0.354 0.000 1.010 1436 G HN 0.456 nan 8.290 nan 0.000 0.530 1437 W N 0.365 121.720 121.300 0.092 0.000 2.671 1437 W HA 0.413 5.073 4.660 0.001 0.000 0.360 1437 W C 0.184 176.767 176.519 0.106 0.000 1.128 1437 W CA -0.444 56.948 57.345 0.077 0.000 1.184 1437 W CB 1.115 30.615 29.460 0.065 0.000 1.415 1437 W HN 0.734 nan 8.180 nan 0.000 0.604 1438 N N -1.235 117.640 118.700 0.293 0.000 3.567 1438 N HA 0.483 5.223 4.740 0.001 0.000 0.347 1438 N C 0.992 176.486 175.510 -0.026 0.000 1.553 1438 N CA -0.385 52.765 53.050 0.167 0.000 0.636 1438 N CB 0.293 38.820 38.487 0.066 0.000 2.483 1438 N HN 0.337 nan 8.380 nan 0.000 0.608 1439 G N -0.301 108.264 108.800 -0.392 0.000 2.396 1439 G HA2 -0.170 3.790 3.960 0.001 0.000 0.214 1439 G HA3 -0.170 3.790 3.960 0.001 0.000 0.214 1439 G C 1.422 176.066 174.900 -0.426 0.000 1.166 1439 G CA 1.449 45.897 45.100 -1.087 0.000 0.793 1439 G HN 0.722 nan 8.290 nan 0.000 0.533 1440 T N -1.264 113.176 114.554 -0.190 0.000 3.118 1440 T HA 0.232 4.582 4.350 0.001 0.000 0.269 1440 T C 2.082 176.790 174.700 0.013 0.000 1.166 1440 T CA 1.028 63.092 62.100 -0.060 0.000 1.073 1440 T CB -0.542 68.312 68.868 -0.023 0.000 0.884 1440 T HN 1.336 nan 8.240 nan 0.000 0.550 1441 G N 0.239 109.063 108.800 0.040 0.000 2.196 1441 G HA2 -0.139 3.822 3.960 0.001 0.000 0.268 1441 G HA3 -0.139 3.822 3.960 0.001 0.000 0.268 1441 G C 0.206 175.242 174.900 0.227 0.000 0.975 1441 G CA 0.772 45.936 45.100 0.106 0.000 0.648 1441 G HN 1.172 nan 8.290 nan 0.000 0.538 1442 K N 0.470 121.003 120.400 0.223 0.000 2.208 1442 K HA 0.826 5.147 4.320 0.001 0.000 0.247 1442 K C 0.645 177.352 176.600 0.179 0.000 0.953 1442 K CA -0.445 55.984 56.287 0.236 0.000 0.837 1442 K CB 0.687 33.244 32.500 0.095 0.000 1.131 1442 K HN 0.555 nan 8.250 nan 0.000 0.431 1443 R N 0.591 121.064 120.500 -0.045 0.000 2.756 1443 R HA 0.167 4.507 4.340 0.001 0.000 0.264 1443 R C 0.089 176.248 176.300 -0.234 0.000 1.026 1443 R CA -0.214 55.589 56.100 -0.495 0.000 1.121 1443 R CB 0.073 30.001 30.300 -0.621 0.000 0.999 1443 R HN 0.637 nan 8.270 nan 0.000 0.449 1444 I N 2.103 122.527 120.570 -0.242 0.000 2.517 1444 I HA -0.036 4.135 4.170 0.001 0.000 0.285 1444 I C 1.333 177.373 176.117 -0.130 0.000 1.106 1444 I CA 0.339 61.561 61.300 -0.129 0.000 1.402 1444 I CB 0.586 38.527 38.000 -0.098 0.000 1.399 1444 I HN 0.725 nan 8.210 nan 0.000 0.535 1445 S N 4.912 120.559 115.700 -0.088 0.000 2.573 1445 S HA 0.153 4.623 4.470 0.001 0.000 0.297 1445 S C 1.604 176.156 174.600 -0.080 0.000 1.280 1445 S CA 0.436 58.589 58.200 -0.078 0.000 1.061 1445 S CB 0.108 nan 63.200 nan 0.000 0.812 1445 S HN 0.650 nan 8.310 nan 0.000 0.500 1446 I N 2.429 122.950 120.570 -0.081 0.000 2.423 1446 I HA 0.025 4.195 4.170 0.001 0.000 0.254 1446 I C 2.686 178.766 176.117 -0.062 0.000 1.151 1446 I CA 2.815 64.069 61.300 -0.077 0.000 1.421 1446 I CB -2.352 35.603 38.000 -0.075 0.000 1.079 1446 I HN 1.033 nan 8.210 nan 0.000 0.431 1447 K N 0.295 120.663 120.400 -0.055 0.000 2.057 1447 K HA -0.245 4.075 4.320 0.001 0.000 0.207 1447 K C 1.929 178.502 176.600 -0.045 0.000 1.049 1447 K CA 1.706 57.965 56.287 -0.047 0.000 0.931 1447 K CB -1.319 31.156 32.500 -0.041 0.000 0.714 1447 K HN 0.810 nan 8.250 nan 0.000 0.440 1448 D N 0.083 120.455 120.400 -0.046 0.000 2.078 1448 D HA -0.117 4.523 4.640 0.001 0.000 0.193 1448 D C 2.083 178.357 176.300 -0.043 0.000 0.990 1448 D CA 2.072 56.047 54.000 -0.042 0.000 0.827 1448 D CB -0.538 40.237 40.800 -0.042 0.000 0.975 1448 D HN 0.423 nan 8.370 nan 0.000 0.451 1449 T N 1.389 115.914 114.554 -0.048 0.000 2.699 1449 T HA -0.160 4.190 4.350 0.001 0.000 0.268 1449 T C 2.024 176.702 174.700 -0.037 0.000 1.036 1449 T CA 1.051 63.125 62.100 -0.043 0.000 1.147 1449 T CB -0.101 68.737 68.868 -0.051 0.000 0.862 1449 T HN 0.154 nan 8.240 nan 0.000 0.446 1450 R N 0.311 120.786 120.500 -0.042 0.000 2.096 1450 R HA -0.027 4.313 4.340 0.001 0.000 0.235 1450 R C 2.886 179.163 176.300 -0.039 0.000 1.127 1450 R CA 1.240 57.317 56.100 -0.038 0.000 0.968 1450 R CB -0.662 29.611 30.300 -0.044 0.000 0.861 1450 R HN 0.451 nan 8.270 nan 0.000 0.440 1451 G N 0.932 109.707 108.800 -0.042 0.000 2.432 1451 G HA2 -0.197 3.763 3.960 0.001 0.000 0.219 1451 G HA3 -0.197 3.763 3.960 0.001 0.000 0.219 1451 G C 1.419 176.288 174.900 -0.053 0.000 1.135 1451 G CA 0.412 45.486 45.100 -0.043 0.000 0.767 1451 G HN 0.173 nan 8.290 nan 0.000 0.550 1452 I N 0.701 121.238 120.570 -0.055 0.000 2.333 1452 I HA -0.065 4.105 4.170 0.001 0.000 0.246 1452 I C 2.406 178.463 176.117 -0.101 0.000 1.106 1452 I CA 0.301 61.556 61.300 -0.074 0.000 1.411 1452 I CB -0.075 37.888 38.000 -0.061 0.000 1.082 1452 I HN 0.039 nan 8.210 nan 0.000 0.420 1453 I N 0.752 121.284 120.570 -0.063 0.000 2.226 1453 I HA -0.278 3.892 4.170 0.001 0.000 0.245 1453 I C 2.133 178.209 176.117 -0.069 0.000 1.100 1453 I CA 1.671 62.943 61.300 -0.046 0.000 1.374 1453 I CB -1.335 36.694 38.000 0.048 0.000 1.057 1453 I HN 0.277 nan 8.210 nan 0.000 0.413 1454 D N 1.159 121.525 120.400 -0.056 0.000 2.117 1454 D HA -0.091 4.549 4.640 0.001 0.000 0.198 1454 D C 2.261 178.512 176.300 -0.082 0.000 0.982 1454 D CA 1.557 55.523 54.000 -0.057 0.000 0.828 1454 D CB -0.036 40.737 40.800 -0.045 0.000 0.967 1454 D HN 0.295 nan 8.370 nan 0.000 0.464 1455 A N 0.659 123.423 122.820 -0.093 0.000 2.024 1455 A HA -0.132 4.188 4.320 0.001 0.000 0.220 1455 A C 2.316 179.806 177.584 -0.156 0.000 1.164 1455 A CA 0.854 52.830 52.037 -0.102 0.000 0.643 1455 A CB -0.564 nan 19.000 nan 0.000 0.806 1455 A HN 0.209 nan 8.150 nan 0.000 0.451 1456 I N -0.701 119.732 120.570 -0.228 0.000 2.400 1456 I HA -0.140 4.031 4.170 0.001 0.000 0.248 1456 I C 2.184 178.153 176.117 -0.247 0.000 1.109 1456 I CA 0.662 61.739 61.300 -0.371 0.000 1.425 1456 I CB -0.247 37.400 38.000 -0.587 0.000 1.094 1456 I HN 0.260 nan 8.210 nan 0.000 0.425 1457 L N 1.034 122.156 121.223 -0.169 0.000 2.093 1457 L HA -0.193 4.148 4.340 0.001 0.000 0.208 1457 L C 1.988 178.811 176.870 -0.079 0.000 1.085 1457 L CA 1.415 56.188 54.840 -0.111 0.000 0.755 1457 L CB -0.905 41.117 42.059 -0.062 0.000 0.904 1457 L HN 0.416 nan 8.230 nan 0.000 0.435 1458 D N -0.754 119.602 120.400 -0.073 0.000 2.355 1458 D HA 0.013 4.653 4.640 0.001 0.000 0.218 1458 D C 1.548 177.820 176.300 -0.047 0.000 1.004 1458 D CA 0.893 54.862 54.000 -0.051 0.000 0.880 1458 D CB 0.149 40.922 40.800 -0.044 0.000 0.911 1458 D HN 0.302 nan 8.370 nan 0.000 0.528 1459 G N -0.382 108.381 108.800 -0.061 0.000 2.217 1459 G HA2 -0.391 3.569 3.960 0.001 0.000 0.246 1459 G HA3 -0.391 3.569 3.960 0.001 0.000 0.246 1459 G C 1.462 176.343 174.900 -0.032 0.000 0.990 1459 G CA 0.536 45.613 45.100 -0.038 0.000 0.627 1459 G HN 0.307 nan 8.290 nan 0.000 0.522 1460 S N 0.160 115.835 115.700 -0.043 0.000 2.390 1460 S HA -0.253 4.217 4.470 0.001 0.000 0.234 1460 S C 2.104 176.689 174.600 -0.025 0.000 1.063 1460 S CA 1.698 59.878 58.200 -0.034 0.000 1.108 1460 S CB -0.346 62.829 63.200 -0.043 0.000 0.975 1460 S HN 0.788 nan 8.310 nan 0.000 0.442 1461 I N 1.441 121.986 120.570 -0.042 0.000 2.908 1461 I HA -0.227 3.943 4.170 0.001 0.000 0.271 1461 I C 1.016 177.158 176.117 0.041 0.000 1.275 1461 I CA 1.177 62.471 61.300 -0.011 0.000 1.446 1461 I CB -0.142 37.827 38.000 -0.053 0.000 1.092 1461 I HN 0.162 nan 8.210 nan 0.000 0.482 1462 D N -0.087 120.332 120.400 0.032 0.000 2.194 1462 D HA -0.109 4.531 4.640 0.001 0.000 0.204 1462 D C 2.194 178.509 176.300 0.025 0.000 0.964 1462 D CA 1.831 55.856 54.000 0.042 0.000 0.846 1462 D CB -0.058 40.763 40.800 0.034 0.000 0.962 1462 D HN 0.471 nan 8.370 nan 0.000 0.490 1463 T N -1.869 112.693 114.554 0.013 0.000 3.057 1463 T HA 0.350 4.700 4.350 0.001 0.000 0.254 1463 T C 1.031 175.735 174.700 0.006 0.000 1.094 1463 T CA -0.007 62.097 62.100 0.007 0.000 1.088 1463 T CB 0.078 68.946 68.868 0.001 0.000 0.934 1463 T HN 0.056 nan 8.240 nan 0.000 0.497 1464 A N 2.527 125.351 122.820 0.007 0.000 2.511 1464 A HA 0.353 4.673 4.320 0.001 0.000 0.242 1464 A C 0.387 177.977 177.584 0.010 0.000 1.069 1464 A CA -0.507 51.533 52.037 0.005 0.000 0.763 1464 A CB -0.105 18.898 19.000 0.004 0.000 1.001 1464 A HN 0.473 nan 8.150 nan 0.000 0.498 1465 N N 0.778 119.481 118.700 0.005 0.000 2.508 1465 N HA 0.301 5.041 4.740 0.001 0.000 0.264 1465 N C 0.547 176.062 175.510 0.009 0.000 1.216 1465 N CA 0.776 53.829 53.050 0.006 0.000 0.943 1465 N CB 1.057 39.545 38.487 0.002 0.000 1.113 1465 N HN 0.855 nan 8.380 nan 0.000 0.447 1466 T N -2.228 112.333 114.554 0.011 0.000 2.927 1466 T HA 0.885 5.236 4.350 0.001 0.000 0.286 1466 T C -0.418 174.289 174.700 0.012 0.000 1.040 1466 T CA -0.811 61.299 62.100 0.016 0.000 1.010 1466 T CB 1.944 70.825 68.868 0.022 0.000 1.177 1466 T HN 0.525 nan 8.240 nan 0.000 0.546 1467 A N 0.361 123.192 122.820 0.017 0.000 2.567 1467 A HA 0.840 5.160 4.320 0.001 0.000 0.289 1467 A C -0.473 177.128 177.584 0.030 0.000 1.177 1467 A CA -0.960 51.085 52.037 0.013 0.000 0.694 1467 A CB 1.285 20.287 19.000 0.002 0.000 1.292 1467 A HN 0.952 nan 8.150 nan 0.000 0.425 1468 T N 1.103 115.671 114.554 0.024 0.000 2.887 1468 T HA 0.607 4.957 4.350 0.001 0.000 0.288 1468 T C -0.701 174.026 174.700 0.046 0.000 1.021 1468 T CA -0.298 61.830 62.100 0.046 0.000 1.000 1468 T CB 1.035 69.917 68.868 0.023 0.000 1.034 1468 T HN 0.422 nan 8.240 nan 0.000 0.467 1469 I N 3.219 123.854 120.570 0.109 0.000 2.362 1469 I HA 0.370 4.540 4.170 0.001 0.000 0.289 1469 I C -2.355 173.848 176.117 0.143 0.000 0.994 1469 I CA -3.185 58.198 61.300 0.138 0.000 1.158 1469 I CB 0.921 39.091 38.000 0.283 0.000 1.315 1469 I HN 0.293 nan 8.210 nan 0.000 0.451 1470 P HA 0.030 nan 4.420 nan 0.000 0.270 1470 P C -0.113 177.161 177.300 -0.043 0.000 1.216 1470 P CA 0.601 63.605 63.100 -0.160 0.000 0.788 1470 P CB 0.321 31.784 31.700 -0.397 0.000 0.883 1471 Y N -2.555 117.731 120.300 -0.023 0.000 2.716 1471 Y HA -0.383 4.167 4.550 0.000 0.000 0.483 1471 Y C 1.805 177.458 175.900 -0.412 0.000 1.075 1471 Y CA 1.478 59.438 58.100 -0.233 0.000 2.997 1471 Y CB -2.513 35.769 38.460 -0.296 0.000 0.987 1471 Y HN 0.258 nan 8.280 nan 0.000 0.578 1472 F N 0.684 120.543 119.950 -0.153 0.000 2.502 1472 F HA 0.048 4.575 4.527 0.000 0.000 0.298 1472 F C 1.070 176.516 175.800 -0.590 0.000 1.111 1472 F CA 1.353 58.993 58.000 -0.600 0.000 1.445 1472 F CB -0.398 37.918 39.000 -1.141 0.000 1.081 1472 F HN 0.178 nan 8.300 nan 0.000 0.558 1473 N N -0.579 118.035 118.700 -0.143 0.000 2.740 1473 N HA -0.245 4.496 4.740 0.001 0.000 0.248 1473 N C -0.677 174.874 175.510 0.067 0.000 1.062 1473 N CA 0.499 53.515 53.050 -0.057 0.000 0.704 1473 N CB -2.028 36.406 38.487 -0.088 0.000 0.968 1473 N HN 0.245 nan 8.380 nan 0.000 0.547 1474 F N -0.177 119.849 119.950 0.127 0.000 2.384 1474 F HA 0.248 4.775 4.527 0.000 0.000 0.338 1474 F C 1.222 177.046 175.800 0.041 0.000 1.103 1474 F CA -0.537 57.508 58.000 0.074 0.000 1.157 1474 F CB 1.060 40.102 39.000 0.070 0.000 1.167 1474 F HN -0.144 nan 8.300 nan 0.000 0.529 1475 T N 3.804 118.501 114.554 0.238 0.000 2.749 1475 T HA 0.476 4.826 4.350 0.001 0.000 0.287 1475 T C -0.560 174.184 174.700 0.073 0.000 0.970 1475 T CA -0.570 61.599 62.100 0.114 0.000 0.980 1475 T CB 1.032 69.942 68.868 0.069 0.000 0.924 1475 T HN 0.440 nan 8.240 nan 0.000 0.456 1476 V N 2.138 122.088 119.914 0.061 0.000 2.962 1476 V HA 0.841 4.961 4.120 0.001 0.000 0.313 1476 V C -2.891 173.219 176.094 0.027 0.000 1.099 1476 V CA -3.170 59.150 62.300 0.034 0.000 0.971 1476 V CB 2.186 34.027 31.823 0.029 0.000 1.028 1476 V HN 0.532 nan 8.190 nan 0.000 0.430 1477 P HA 0.206 nan 4.420 nan 0.000 0.276 1477 P C 0.734 178.037 177.300 0.005 0.000 1.230 1477 P CA 0.264 63.373 63.100 0.015 0.000 0.776 1477 P CB 1.366 33.073 31.700 0.013 0.000 0.888 1478 T N -0.653 113.902 114.554 0.002 0.000 3.055 1478 T HA 0.048 4.398 4.350 0.001 0.000 0.265 1478 T C 0.415 175.111 174.700 -0.007 0.000 1.111 1478 T CA 0.591 62.688 62.100 -0.004 0.000 1.118 1478 T CB 0.018 68.883 68.868 -0.004 0.000 0.909 1478 T HN 0.541 nan 8.240 nan 0.000 0.501 1479 E N -0.471 119.725 120.200 -0.007 0.000 2.378 1479 E HA 0.619 4.969 4.350 0.001 0.000 0.283 1479 E C -2.085 174.507 176.600 -0.013 0.000 0.979 1479 E CA -0.763 55.631 56.400 -0.010 0.000 0.795 1479 E CB 1.718 31.412 29.700 -0.010 0.000 1.221 1479 E HN 0.210 nan 8.360 nan 0.000 0.428 1480 L N 1.975 123.187 121.223 -0.018 0.000 2.455 1480 L HA 0.544 4.885 4.340 0.001 0.000 0.264 1480 L C -0.204 176.651 176.870 -0.025 0.000 0.968 1480 L CA -1.058 53.768 54.840 -0.024 0.000 0.827 1480 L CB 1.736 43.776 42.059 -0.031 0.000 1.317 1480 L HN 0.620 nan 8.230 nan 0.000 0.407 1481 K N 1.092 121.476 120.400 -0.027 0.000 2.436 1481 K HA 0.450 4.770 4.320 0.001 0.000 0.282 1481 K C 1.043 177.625 176.600 -0.029 0.000 1.044 1481 K CA 0.507 56.779 56.287 -0.026 0.000 1.028 1481 K CB -0.178 32.306 32.500 -0.025 0.000 0.919 1481 K HN 1.116 nan 8.250 nan 0.000 0.474 1482 G N -0.048 108.736 108.800 -0.027 0.000 2.141 1482 G HA2 -0.131 3.829 3.960 0.001 0.000 0.242 1482 G HA3 -0.131 3.829 3.960 0.001 0.000 0.242 1482 G C 0.028 174.910 174.900 -0.030 0.000 0.982 1482 G CA 0.177 45.260 45.100 -0.028 0.000 0.662 1482 G HN 1.434 nan 8.290 nan 0.000 0.527 1483 V N 0.205 120.102 119.914 -0.028 0.000 2.789 1483 V HA 0.540 4.660 4.120 0.001 0.000 0.311 1483 V C -0.180 175.900 176.094 -0.024 0.000 1.073 1483 V CA -1.021 61.262 62.300 -0.028 0.000 0.921 1483 V CB 1.991 33.796 31.823 -0.031 0.000 1.009 1483 V HN 0.266 nan 8.190 nan 0.000 0.426 1484 D N 2.351 122.737 120.400 -0.023 0.000 2.412 1484 D HA 0.039 4.679 4.640 0.001 0.000 0.257 1484 D C 1.341 177.631 176.300 -0.018 0.000 1.217 1484 D CA 0.539 54.527 54.000 -0.020 0.000 0.897 1484 D CB 1.478 42.266 40.800 -0.020 0.000 1.132 1484 D HN 0.660 nan 8.370 nan 0.000 0.493 1485 T N 3.209 117.753 114.554 -0.016 0.000 2.881 1485 T HA -0.150 4.201 4.350 0.001 0.000 0.270 1485 T C 2.021 176.712 174.700 -0.015 0.000 1.068 1485 T CA 1.954 64.045 62.100 -0.015 0.000 1.131 1485 T CB -0.116 68.744 68.868 -0.013 0.000 0.871 1485 T HN 0.557 nan 8.240 nan 0.000 0.479 1486 K N 2.287 122.679 120.400 -0.015 0.000 1.985 1486 K HA 0.026 4.347 4.320 0.001 0.000 0.210 1486 K C 2.204 178.794 176.600 -0.016 0.000 1.047 1486 K CA 1.603 57.881 56.287 -0.015 0.000 0.932 1486 K CB -1.502 30.990 32.500 -0.014 0.000 0.716 1486 K HN 0.730 nan 8.250 nan 0.000 0.439 1487 I N -1.109 119.452 120.570 -0.015 0.000 2.530 1487 I HA -0.173 3.997 4.170 0.001 0.000 0.257 1487 I C 2.231 178.347 176.117 -0.003 0.000 1.179 1487 I CA 1.330 62.624 61.300 -0.009 0.000 1.440 1487 I CB -0.502 37.492 38.000 -0.010 0.000 1.087 1487 I HN 0.203 nan 8.210 nan 0.000 0.440 1488 L N 0.795 122.012 121.223 -0.008 0.000 2.197 1488 L HA -0.151 4.190 4.340 0.001 0.000 0.215 1488 L C 0.851 177.718 176.870 -0.004 0.000 1.095 1488 L CA 1.157 55.994 54.840 -0.006 0.000 0.764 1488 L CB -0.751 41.302 42.059 -0.010 0.000 0.897 1488 L HN 0.458 nan 8.230 nan 0.000 0.436 1489 D N -0.426 119.963 120.400 -0.017 0.000 2.344 1489 D HA 0.150 4.791 4.640 0.001 0.000 0.239 1489 D C -1.704 174.567 176.300 -0.048 0.000 1.064 1489 D CA -2.289 51.683 54.000 -0.046 0.000 0.829 1489 D CB 2.012 42.767 40.800 -0.075 0.000 1.129 1489 D HN -0.171 nan 8.370 nan 0.000 0.506 1490 P HA -0.118 nan 4.420 nan 0.000 0.221 1490 P C 0.926 178.204 177.300 -0.036 0.000 1.145 1490 P CA 0.794 63.937 63.100 0.072 0.000 0.795 1490 P CB 0.624 32.520 31.700 0.327 0.000 0.775 1491 R N -0.564 119.724 120.500 -0.355 0.000 2.100 1491 R HA 0.025 4.365 4.340 0.001 0.000 0.220 1491 R C 2.153 178.476 176.300 0.038 0.000 1.091 1491 R CA 0.780 56.743 56.100 -0.228 0.000 0.986 1491 R CB -0.696 29.321 30.300 -0.471 0.000 0.888 1491 R HN 0.133 nan 8.270 nan 0.000 0.444 1492 N N 0.327 119.011 118.700 -0.028 0.000 2.258 1492 N HA -0.141 4.600 4.740 0.001 0.000 0.187 1492 N C 1.252 176.769 175.510 0.012 0.000 1.012 1492 N CA 1.921 54.969 53.050 -0.002 0.000 0.870 1492 N CB -0.293 38.181 38.487 -0.022 0.000 0.977 1492 N HN 0.324 nan 8.380 nan 0.000 0.434 1493 T N -3.374 111.169 114.554 -0.017 0.000 3.219 1493 T HA 0.109 4.459 4.350 0.001 0.000 0.249 1493 T C -0.220 174.367 174.700 -0.188 0.000 1.099 1493 T CA -0.008 62.027 62.100 -0.108 0.000 0.988 1493 T CB -0.453 68.311 68.868 -0.173 0.000 0.999 1493 T HN 0.006 nan 8.240 nan 0.000 0.550 1494 Y N 0.443 120.789 120.300 0.077 0.000 2.341 1494 Y HA 0.669 5.219 4.550 0.000 0.000 0.338 1494 Y C 1.368 177.314 175.900 0.075 0.000 0.965 1494 Y CA -1.384 56.778 58.100 0.104 0.000 1.108 1494 Y CB 1.449 40.008 38.460 0.164 0.000 1.180 1494 Y HN 0.074 nan 8.280 nan 0.000 0.458 1495 A N 2.345 125.306 122.820 0.235 0.000 1.978 1495 A HA 0.039 4.359 4.320 0.001 0.000 0.220 1495 A C 0.873 178.544 177.584 0.144 0.000 1.170 1495 A CA 2.040 54.166 52.037 0.147 0.000 0.636 1495 A CB -0.971 18.102 19.000 0.121 0.000 0.810 1495 A HN 0.862 nan 8.150 nan 0.000 0.448 1496 D N -1.958 118.553 120.400 0.184 0.000 2.686 1496 D HA 0.625 5.266 4.640 0.001 0.000 0.249 1496 D C 0.522 176.911 176.300 0.149 0.000 1.260 1496 D CA 0.174 54.256 54.000 0.136 0.000 0.910 1496 D CB 1.025 41.886 40.800 0.103 0.000 1.323 1496 D HN 0.659 nan 8.370 nan 0.000 0.561 1497 A N 0.706 123.609 122.820 0.138 0.000 2.139 1497 A HA -0.017 4.303 4.320 0.001 0.000 0.221 1497 A C 2.451 180.146 177.584 0.185 0.000 1.159 1497 A CA 2.618 54.751 52.037 0.159 0.000 0.662 1497 A CB -0.741 18.326 19.000 0.111 0.000 0.796 1497 A HN 1.201 nan 8.150 nan 0.000 0.463 1498 S N 0.259 116.030 115.700 0.119 0.000 2.359 1498 S HA -0.249 4.222 4.470 0.001 0.000 0.224 1498 S C 1.650 176.266 174.600 0.027 0.000 1.035 1498 S CA 1.418 59.671 58.200 0.089 0.000 1.018 1498 S CB -0.594 62.645 63.200 0.064 0.000 0.876 1498 S HN 0.721 nan 8.310 nan 0.000 0.448 1499 E N 0.215 120.398 120.200 -0.028 0.000 2.118 1499 E HA -0.171 4.179 4.350 0.001 0.000 0.195 1499 E C 1.718 178.136 176.600 -0.304 0.000 0.992 1499 E CA 1.309 57.629 56.400 -0.134 0.000 0.804 1499 E CB -0.265 29.373 29.700 -0.104 0.000 0.741 1499 E HN 0.800 nan 8.360 nan 0.000 0.458 1500 W N 1.803 122.720 121.300 -0.639 0.000 2.378 1500 W HA -0.260 4.400 4.660 0.000 0.000 0.313 1500 W C 2.662 179.075 176.519 -0.177 0.000 1.197 1500 W CA 2.745 59.748 57.345 -0.569 0.000 1.304 1500 W CB -0.432 28.806 29.460 -0.371 0.000 1.148 1500 W HN 0.064 nan 8.180 nan 0.000 0.494 1501 E N 0.149 120.439 120.200 0.150 0.000 2.085 1501 E HA -0.214 4.136 4.350 0.001 0.000 0.194 1501 E C 1.847 178.252 176.600 -0.326 0.000 0.994 1501 E CA 2.602 58.987 56.400 -0.026 0.000 0.801 1501 E CB -1.285 28.576 29.700 0.269 0.000 0.743 1501 E HN 0.288 nan 8.360 nan 0.000 0.453 1502 V N 1.070 120.861 119.914 -0.204 0.000 2.407 1502 V HA -0.278 3.842 4.120 0.001 0.000 0.248 1502 V C 2.433 178.382 176.094 -0.243 0.000 1.055 1502 V CA 2.326 64.512 62.300 -0.190 0.000 1.049 1502 V CB -0.400 31.363 31.823 -0.099 0.000 0.662 1502 V HN 0.500 nan 8.190 nan 0.000 0.455 1503 K N 0.444 120.673 120.400 -0.284 0.000 2.076 1503 K HA 0.040 4.360 4.320 0.001 0.000 0.204 1503 K C 2.375 178.754 176.600 -0.369 0.000 1.051 1503 K CA 1.239 57.392 56.287 -0.223 0.000 0.949 1503 K CB -0.455 31.974 32.500 -0.118 0.000 0.726 1503 K HN 0.418 nan 8.250 nan 0.000 0.443 1504 A N 2.166 124.574 122.820 -0.686 0.000 1.883 1504 A HA -0.245 4.076 4.320 0.001 0.000 0.217 1504 A C 1.923 179.189 177.584 -0.530 0.000 1.186 1504 A CA 1.755 53.417 52.037 -0.624 0.000 0.624 1504 A CB -0.386 17.894 19.000 -1.201 0.000 0.822 1504 A HN 0.194 nan 8.150 nan 0.000 0.444 1505 K N -0.809 119.178 120.400 -0.688 0.000 2.057 1505 K HA -0.181 4.139 4.320 0.001 0.000 0.207 1505 K C 1.880 178.277 176.600 -0.338 0.000 1.049 1505 K CA 1.480 57.419 56.287 -0.579 0.000 0.931 1505 K CB -0.207 31.990 32.500 -0.506 0.000 0.714 1505 K HN 0.569 nan 8.250 nan 0.000 0.440 1506 D N 0.869 121.109 120.400 -0.266 0.000 2.117 1506 D HA -0.158 4.482 4.640 0.001 0.000 0.198 1506 D C 1.757 177.944 176.300 -0.188 0.000 0.982 1506 D CA 0.746 54.643 54.000 -0.171 0.000 0.828 1506 D CB 0.029 40.770 40.800 -0.098 0.000 0.967 1506 D HN -0.008 nan 8.370 nan 0.000 0.464 1507 L N 0.334 121.411 121.223 -0.244 0.000 2.109 1507 L HA 0.165 4.506 4.340 0.001 0.000 0.207 1507 L C 2.186 179.103 176.870 0.078 0.000 1.086 1507 L CA 1.761 56.487 54.840 -0.190 0.000 0.760 1507 L CB -0.991 40.958 42.059 -0.183 0.000 0.910 1507 L HN 0.085 nan 8.230 nan 0.000 0.437 1508 A N -0.404 122.337 122.820 -0.131 0.000 1.940 1508 A HA -0.196 4.125 4.320 0.001 0.000 0.219 1508 A C 2.321 179.823 177.584 -0.136 0.000 1.176 1508 A CA 2.078 53.914 52.037 -0.334 0.000 0.631 1508 A CB -1.055 17.570 19.000 -0.624 0.000 0.814 1508 A HN 0.525 nan 8.150 nan 0.000 0.446 1509 E N 0.048 120.177 120.200 -0.118 0.000 2.152 1509 E HA -0.170 4.180 4.350 0.001 0.000 0.192 1509 E C 2.102 178.696 176.600 -0.010 0.000 0.983 1509 E CA 1.187 57.545 56.400 -0.071 0.000 0.818 1509 E CB -0.564 29.089 29.700 -0.077 0.000 0.758 1509 E HN 0.547 nan 8.360 nan 0.000 0.467 1510 R N -0.649 119.866 120.500 0.024 0.000 2.082 1510 R HA -0.052 4.288 4.340 0.001 0.000 0.234 1510 R C 2.211 178.516 176.300 0.008 0.000 1.136 1510 R CA 1.554 57.694 56.100 0.066 0.000 0.935 1510 R CB -1.154 29.197 30.300 0.084 0.000 0.842 1510 R HN 0.523 nan 8.270 nan 0.000 0.430 1511 F N 1.493 121.429 119.950 -0.023 0.000 2.069 1511 F HA -0.271 4.256 4.527 0.000 0.000 0.298 1511 F C 3.337 179.068 175.800 -0.116 0.000 1.113 1511 F CA 2.297 60.237 58.000 -0.100 0.000 1.214 1511 F CB -1.212 37.838 39.000 0.083 0.000 0.978 1511 F HN 0.226 nan 8.300 nan 0.000 0.474 1512 Q N 0.460 120.339 119.800 0.132 0.000 2.152 1512 Q HA -0.278 4.062 4.340 0.001 0.000 0.206 1512 Q C 2.012 178.036 176.000 0.039 0.000 0.985 1512 Q CA 2.187 58.034 55.803 0.074 0.000 0.863 1512 Q CB -1.085 27.647 28.738 -0.010 0.000 0.904 1512 Q HN 0.362 nan 8.270 nan 0.000 0.422 1513 K N 1.395 121.779 120.400 -0.028 0.000 2.026 1513 K HA -0.119 4.202 4.320 0.001 0.000 0.208 1513 K C 1.931 178.458 176.600 -0.121 0.000 1.048 1513 K CA 1.807 58.059 56.287 -0.058 0.000 0.929 1513 K CB -0.418 32.051 32.500 -0.053 0.000 0.713 1513 K HN 0.651 nan 8.250 nan 0.000 0.439 1514 N N -0.846 117.685 118.700 -0.282 0.000 2.188 1514 N HA -0.171 4.569 4.740 0.001 0.000 0.184 1514 N C 1.661 177.056 175.510 -0.190 0.000 1.018 1514 N CA 1.022 53.806 53.050 -0.444 0.000 0.858 1514 N CB -0.148 37.550 38.487 -1.315 0.000 0.989 1514 N HN 0.261 nan 8.380 nan 0.000 0.426 1515 F N 2.242 122.056 119.950 -0.227 0.000 2.502 1515 F HA 0.062 4.590 4.527 0.000 0.000 0.298 1515 F C 2.376 178.244 175.800 0.114 0.000 1.111 1515 F CA 0.595 58.565 58.000 -0.051 0.000 1.445 1515 F CB -0.108 38.825 39.000 -0.113 0.000 1.081 1515 F HN -0.053 nan 8.300 nan 0.000 0.558 1516 K N 1.376 121.852 120.400 0.125 0.000 2.144 1516 K HA -0.280 4.040 4.320 0.001 0.000 0.209 1516 K C 1.925 178.502 176.600 -0.039 0.000 1.047 1516 K CA 2.193 58.517 56.287 0.061 0.000 0.927 1516 K CB -0.203 32.297 32.500 -0.001 0.000 0.716 1516 K HN 0.426 nan 8.250 nan 0.000 0.454 1517 K N -0.707 119.589 120.400 -0.173 0.000 2.439 1517 K HA -0.028 4.293 4.320 0.001 0.000 0.197 1517 K C 0.375 176.831 176.600 -0.240 0.000 1.041 1517 K CA 0.291 56.392 56.287 -0.309 0.000 0.970 1517 K CB -0.066 31.953 32.500 -0.802 0.000 0.773 1517 K HN -0.069 nan 8.250 nan 0.000 0.479 1518 F N 0.000 119.718 119.950 -0.387 0.000 2.286 1518 F HA 0.000 4.527 4.527 0.000 0.000 0.279 1518 F CA 0.000 57.708 58.000 -0.486 0.000 1.383 1518 F CB 0.000 38.197 39.000 -1.338 0.000 1.145 1518 F HN 0.000 nan 8.300 nan 0.000 0.574