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 1gag_1_A DATA FIRST_RESID 981 DATA SEQUENCE SSVFVPDEWE VSREKITLLR ELGQGSFGMV YEGNARDIIK GEAETRVAVK DATA SEQUENCE TVNESASLRE RIEFLNEASV MKGFTCHHVV RLLGVVSKGQ PTLVVMELMA DATA SEQUENCE HGDLKSYLRS LRPEAENNPG RPPPTLQEMI QMAAEIADGM AYLNAKKFVH DATA SEQUENCE RDLAARNCMV AHDFTVKIGD FGMTRDIXET DXXRKGGKGL LPVRWMAPES DATA SEQUENCE LKDGVFTTSS DMWSFGVVLW EITSLAEQPY QGLSNEQVLK FVMDGGYLDQ DATA SEQUENCE PDNCPERVTD LMRMCWQFNP KMRPTFLEIV NLLKDDLHPS FPEVSFFHSE DATA SEQUENCE ENK 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 981 S HA 0.000 nan 4.470 nan 0.000 0.327 981 S C 0.000 174.633 174.600 0.055 0.000 1.055 981 S CA 0.000 58.265 58.200 0.108 0.000 1.107 981 S CB 0.000 63.231 63.200 0.052 0.000 0.593 982 S N 2.190 117.874 115.700 -0.027 0.000 2.399 982 S HA -0.088 4.384 4.470 0.003 0.000 0.231 982 S C 1.831 176.359 174.600 -0.122 0.000 1.022 982 S CA 1.961 60.136 58.200 -0.041 0.000 0.983 982 S CB -0.488 62.690 63.200 -0.036 0.000 0.803 982 S HN 0.739 nan 8.310 nan 0.000 0.480 983 V N 1.094 120.830 119.914 -0.296 0.000 2.527 983 V HA -0.179 3.943 4.120 0.003 0.000 0.255 983 V C 1.674 177.514 176.094 -0.424 0.000 1.081 983 V CA 1.613 63.658 62.300 -0.425 0.000 1.092 983 V CB -1.101 30.337 31.823 -0.642 0.000 0.673 983 V HN 0.547 nan 8.190 nan 0.000 0.470 984 F N -0.744 119.208 119.950 0.003 0.000 2.804 984 F HA 0.242 4.771 4.527 0.004 0.000 0.303 984 F C 0.838 176.639 175.800 0.003 0.000 1.154 984 F CA 0.132 58.133 58.000 0.002 0.000 1.401 984 F CB -0.136 38.865 39.000 0.001 0.000 1.106 984 F HN -0.035 nan 8.300 nan 0.000 0.568 985 V N 0.797 120.769 119.914 0.096 0.000 2.464 985 V HA 0.280 4.402 4.120 0.003 0.000 0.255 985 V C -2.209 173.906 176.094 0.034 0.000 0.946 985 V CA -1.435 60.908 62.300 0.072 0.000 0.988 985 V CB -0.113 31.752 31.823 0.070 0.000 1.210 985 V HN -0.058 nan 8.190 nan 0.000 0.523 986 P HA 0.350 nan 4.420 nan 0.000 0.276 986 P C -0.694 176.623 177.300 0.028 0.000 1.252 986 P CA -0.248 62.859 63.100 0.012 0.000 0.802 986 P CB 0.779 32.479 31.700 -0.001 0.000 1.035 987 D N 0.132 120.554 120.400 0.037 0.000 2.233 987 D HA 0.205 4.847 4.640 0.003 0.000 0.240 987 D C 1.105 177.440 176.300 0.057 0.000 1.074 987 D CA -0.113 53.930 54.000 0.072 0.000 0.838 987 D CB 1.294 42.152 40.800 0.096 0.000 1.124 987 D HN 0.432 nan 8.370 nan 0.000 0.475 988 E N 3.061 123.279 120.200 0.030 0.000 2.204 988 E HA -0.181 4.171 4.350 0.003 0.000 0.195 988 E C 1.428 177.918 176.600 -0.184 0.000 0.990 988 E CA 1.058 57.392 56.400 -0.110 0.000 0.821 988 E CB -0.639 28.935 29.700 -0.211 0.000 0.750 988 E HN 0.739 nan 8.360 nan 0.000 0.477 989 W N 0.282 121.571 121.300 -0.019 0.000 3.003 989 W HA 0.326 4.988 4.660 0.003 0.000 0.257 989 W C 0.843 177.353 176.519 -0.014 0.000 1.308 989 W CA -0.053 57.279 57.345 -0.021 0.000 1.529 989 W CB 0.384 29.825 29.460 -0.032 0.000 1.115 989 W HN 0.133 nan 8.180 nan 0.000 0.659 990 E N 1.002 121.299 120.200 0.163 0.000 2.465 990 E HA 0.158 4.510 4.350 0.003 0.000 0.260 990 E C -0.633 176.008 176.600 0.068 0.000 0.980 990 E CA 0.410 56.871 56.400 0.101 0.000 0.927 990 E CB 0.520 30.256 29.700 0.059 0.000 0.934 990 E HN -0.190 nan 8.360 nan 0.000 0.459 991 V N 3.734 123.688 119.914 0.067 0.000 2.789 991 V HA 0.275 4.397 4.120 0.003 0.000 0.311 991 V C -0.196 175.918 176.094 0.035 0.000 1.073 991 V CA -0.952 61.376 62.300 0.047 0.000 0.921 991 V CB 2.103 33.962 31.823 0.061 0.000 1.009 991 V HN 0.715 nan 8.190 nan 0.000 0.426 992 S N 2.837 118.549 115.700 0.020 0.000 2.533 992 S HA 0.148 4.620 4.470 0.003 0.000 0.282 992 S C 1.262 175.872 174.600 0.016 0.000 1.304 992 S CA -0.144 58.064 58.200 0.014 0.000 1.063 992 S CB 0.290 63.493 63.200 0.005 0.000 0.881 992 S HN 0.750 nan 8.310 nan 0.000 0.493 993 R N 2.883 123.392 120.500 0.015 0.000 2.200 993 R HA -0.155 4.187 4.340 0.003 0.000 0.234 993 R C 2.004 178.308 176.300 0.006 0.000 1.127 993 R CA 2.072 58.181 56.100 0.014 0.000 0.989 993 R CB -0.216 30.090 30.300 0.011 0.000 0.869 993 R HN 0.934 nan 8.270 nan 0.000 0.459 994 E N 0.324 120.526 120.200 0.003 0.000 2.204 994 E HA -0.209 4.143 4.350 0.003 0.000 0.195 994 E C 1.165 177.765 176.600 -0.001 0.000 0.990 994 E CA 1.241 57.639 56.400 -0.002 0.000 0.821 994 E CB -0.060 29.639 29.700 -0.003 0.000 0.750 994 E HN 0.305 nan 8.360 nan 0.000 0.477 995 K N 0.109 120.511 120.400 0.003 0.000 2.459 995 K HA 0.108 4.430 4.320 0.003 0.000 0.193 995 K C 0.187 176.791 176.600 0.007 0.000 1.030 995 K CA 0.050 56.340 56.287 0.004 0.000 1.026 995 K CB 0.367 32.872 32.500 0.007 0.000 0.809 995 K HN 0.166 nan 8.250 nan 0.000 0.504 996 I N 1.330 121.904 120.570 0.008 0.000 2.428 996 I HA 0.160 4.332 4.170 0.003 0.000 0.296 996 I C 0.003 176.117 176.117 -0.005 0.000 0.985 996 I CA -0.093 61.212 61.300 0.009 0.000 1.260 996 I CB 1.626 39.638 38.000 0.019 0.000 1.389 996 I HN -0.171 nan 8.210 nan 0.000 0.484 997 T N 6.362 120.911 114.554 -0.007 0.000 2.928 997 T HA 0.483 4.835 4.350 0.003 0.000 0.296 997 T C -0.504 174.180 174.700 -0.026 0.000 1.000 997 T CA -0.452 61.635 62.100 -0.021 0.000 0.989 997 T CB 1.620 70.478 68.868 -0.017 0.000 1.005 997 T HN 0.064 nan 8.240 nan 0.000 0.442 998 L N 3.721 124.908 121.223 -0.060 0.000 2.325 998 L HA 0.543 4.885 4.340 0.003 0.000 0.279 998 L C 0.788 177.621 176.870 -0.062 0.000 1.054 998 L CA -0.139 54.652 54.840 -0.082 0.000 0.804 998 L CB 0.977 42.900 42.059 -0.227 0.000 1.200 998 L HN 0.687 nan 8.230 nan 0.000 0.436 999 L N 2.304 123.514 121.223 -0.021 0.000 2.586 999 L HA 0.367 4.708 4.340 0.003 0.000 0.204 999 L C 0.372 177.250 176.870 0.013 0.000 1.053 999 L CA -0.031 54.804 54.840 -0.007 0.000 0.856 999 L CB 0.173 42.235 42.059 0.005 0.000 1.192 999 L HN 0.678 nan 8.230 nan 0.000 0.484 1000 R N -0.069 120.467 120.500 0.060 0.000 2.728 1000 R HA 0.335 4.677 4.340 0.003 0.000 0.274 1000 R C -1.207 175.214 176.300 0.200 0.000 1.030 1000 R CA -0.786 55.373 56.100 0.099 0.000 0.876 1000 R CB 1.571 31.907 30.300 0.059 0.000 1.259 1000 R HN -0.137 nan 8.270 nan 0.000 0.468 1001 E N 1.160 121.476 120.200 0.193 0.000 2.316 1001 E HA 0.116 4.468 4.350 0.003 0.000 0.275 1001 E C -0.127 176.499 176.600 0.044 0.000 1.029 1001 E CA -0.297 56.192 56.400 0.149 0.000 0.871 1001 E CB 0.914 30.674 29.700 0.100 0.000 1.022 1001 E HN 0.596 nan 8.360 nan 0.000 0.418 1002 L N 3.578 124.793 121.223 -0.013 0.000 2.554 1002 L HA 0.363 4.705 4.340 0.003 0.000 0.225 1002 L C 0.859 177.703 176.870 -0.044 0.000 1.104 1002 L CA 0.537 55.366 54.840 -0.020 0.000 0.866 1002 L CB 0.385 42.430 42.059 -0.023 0.000 1.047 1002 L HN 0.780 nan 8.230 nan 0.000 0.468 1003 G N -0.396 108.351 108.800 -0.088 0.000 2.337 1003 G HA2 0.117 4.079 3.960 0.003 0.000 0.298 1003 G HA3 0.117 4.079 3.960 0.003 0.000 0.298 1003 G C -2.002 172.813 174.900 -0.142 0.000 1.335 1003 G CA -0.641 44.406 45.100 -0.088 0.000 0.875 1003 G HN -0.111 nan 8.290 nan 0.000 0.579 1004 Q N -0.287 119.446 119.800 -0.113 0.000 2.321 1004 Q HA 0.621 4.963 4.340 0.003 0.000 0.270 1004 Q C 0.292 176.214 176.000 -0.129 0.000 1.032 1004 Q CA -0.405 55.318 55.803 -0.133 0.000 0.784 1004 Q CB 1.655 30.340 28.738 -0.090 0.000 1.264 1004 Q HN 1.123 nan 8.270 nan 0.000 0.448 1005 G N 0.744 109.435 108.800 -0.181 0.000 2.502 1005 G HA2 0.238 4.200 3.960 0.003 0.000 0.305 1005 G HA3 0.238 4.200 3.960 0.003 0.000 0.305 1005 G C 0.808 175.598 174.900 -0.183 0.000 1.190 1005 G CA -0.071 44.905 45.100 -0.207 0.000 0.933 1005 G HN 0.817 nan 8.290 nan 0.000 0.503 1006 S N -0.666 114.944 115.700 -0.150 0.000 2.420 1006 S HA -0.192 4.280 4.470 0.003 0.000 0.237 1006 S C 1.120 175.759 174.600 0.064 0.000 1.023 1006 S CA 1.983 60.169 58.200 -0.023 0.000 0.991 1006 S CB -0.412 62.826 63.200 0.062 0.000 0.792 1006 S HN 1.279 nan 8.310 nan 0.000 0.488 1007 F N -1.605 118.310 119.950 -0.058 0.000 2.875 1007 F HA 0.780 5.309 4.527 0.003 0.000 0.334 1007 F C 0.222 175.946 175.800 -0.126 0.000 1.228 1007 F CA -0.894 57.059 58.000 -0.080 0.000 1.094 1007 F CB 0.181 39.136 39.000 -0.075 0.000 1.239 1007 F HN 0.251 nan 8.300 nan 0.000 0.509 1008 G N 0.574 109.185 108.800 -0.316 0.000 2.815 1008 G HA2 0.688 4.650 3.960 0.003 0.000 0.305 1008 G HA3 0.688 4.650 3.960 0.003 0.000 0.305 1008 G C -1.679 173.070 174.900 -0.251 0.000 1.277 1008 G CA -0.940 43.985 45.100 -0.290 0.000 0.795 1008 G HN 0.027 nan 8.290 nan 0.000 0.528 1009 M N 0.283 119.713 119.600 -0.283 0.000 2.433 1009 M HA 0.486 4.968 4.480 0.003 0.000 0.290 1009 M C -1.194 174.801 176.300 -0.508 0.000 1.173 1009 M CA -0.643 54.406 55.300 -0.418 0.000 0.905 1009 M CB 1.815 34.099 32.600 -0.527 0.000 1.692 1009 M HN 0.261 nan 8.290 nan 0.000 0.462 1010 V N 3.645 123.253 119.914 -0.510 0.000 2.384 1010 V HA 0.514 4.636 4.120 0.003 0.000 0.287 1010 V C -1.261 174.580 176.094 -0.423 0.000 1.020 1010 V CA -0.574 61.517 62.300 -0.348 0.000 0.850 1010 V CB 1.459 33.175 31.823 -0.178 0.000 0.987 1010 V HN 0.697 nan 8.190 nan 0.000 0.436 1011 Y N 1.686 121.983 120.300 -0.006 0.000 2.509 1011 Y HA 0.533 5.085 4.550 0.002 0.000 0.341 1011 Y C 0.317 176.214 175.900 -0.005 0.000 1.038 1011 Y CA -1.039 57.058 58.100 -0.006 0.000 1.089 1011 Y CB 1.529 39.987 38.460 -0.003 0.000 1.241 1011 Y HN 0.616 nan 8.280 nan 0.000 0.468 1012 E N 0.961 121.262 120.200 0.169 0.000 2.231 1012 E HA 0.676 5.028 4.350 0.003 0.000 0.277 1012 E C -0.528 176.117 176.600 0.074 0.000 0.999 1012 E CA -0.410 56.040 56.400 0.083 0.000 0.827 1012 E CB 1.307 31.034 29.700 0.045 0.000 1.101 1012 E HN 0.920 nan 8.360 nan 0.000 0.393 1013 G N 1.042 109.870 108.800 0.045 0.000 2.548 1013 G HA2 0.487 4.449 3.960 0.003 0.000 0.301 1013 G HA3 0.487 4.449 3.960 0.003 0.000 0.301 1013 G C -1.483 173.426 174.900 0.015 0.000 1.349 1013 G CA -0.207 44.909 45.100 0.025 0.000 0.792 1013 G HN 0.726 nan 8.290 nan 0.000 0.481 1014 N N -1.445 117.259 118.700 0.007 0.000 2.292 1014 N HA 0.981 5.723 4.740 0.003 0.000 0.303 1014 N C -0.348 175.167 175.510 0.007 0.000 1.140 1014 N CA -0.029 53.023 53.050 0.004 0.000 0.788 1014 N CB 2.275 40.760 38.487 -0.004 0.000 1.361 1014 N HN 1.848 nan 8.380 nan 0.000 0.489 1015 A N -0.058 122.767 122.820 0.009 0.000 2.356 1015 A HA 0.894 5.216 4.320 0.003 0.000 0.310 1015 A C 0.426 178.013 177.584 0.006 0.000 1.075 1015 A CA -0.395 51.649 52.037 0.011 0.000 0.746 1015 A CB 0.513 19.526 19.000 0.022 0.000 1.221 1015 A HN 1.540 nan 8.150 nan 0.000 0.443 1016 R N 2.008 122.509 120.500 0.003 0.000 2.298 1016 R HA 0.519 4.861 4.340 0.003 0.000 0.310 1016 R C -0.124 176.176 176.300 -0.001 0.000 1.068 1016 R CA 0.141 56.240 56.100 -0.001 0.000 0.957 1016 R CB -0.523 29.775 30.300 -0.003 0.000 1.003 1016 R HN 0.902 nan 8.270 nan 0.000 0.454 1017 D N 1.592 121.990 120.400 -0.003 0.000 3.142 1017 D HA -0.169 4.473 4.640 0.003 0.000 0.221 1017 D C 0.702 176.998 176.300 -0.006 0.000 1.193 1017 D CA 1.605 55.601 54.000 -0.006 0.000 0.900 1017 D CB -0.526 40.269 40.800 -0.009 0.000 0.886 1017 D HN 0.818 nan 8.370 nan 0.000 0.399 1018 I N -2.327 118.242 120.570 -0.003 0.000 4.526 1018 I HA 0.264 4.436 4.170 0.003 0.000 0.330 1018 I C 0.436 176.546 176.117 -0.011 0.000 1.323 1018 I CA -0.148 61.151 61.300 -0.002 0.000 1.218 1018 I CB 0.555 38.566 38.000 0.018 0.000 1.233 1018 I HN -0.048 nan 8.210 nan 0.000 0.430 1019 I N 2.317 122.881 120.570 -0.010 0.000 2.499 1019 I HA 0.344 4.516 4.170 0.003 0.000 0.288 1019 I C -0.535 175.572 176.117 -0.017 0.000 1.048 1019 I CA -0.736 60.555 61.300 -0.015 0.000 1.062 1019 I CB 2.137 40.136 38.000 -0.002 0.000 1.238 1019 I HN 0.001 nan 8.210 nan 0.000 0.426 1020 K N 4.412 124.797 120.400 -0.025 0.000 2.419 1020 K HA 0.289 4.611 4.320 0.003 0.000 0.282 1020 K C 0.972 177.563 176.600 -0.015 0.000 1.056 1020 K CA 0.813 57.086 56.287 -0.022 0.000 1.035 1020 K CB 0.334 32.817 32.500 -0.028 0.000 0.921 1020 K HN 1.034 nan 8.250 nan 0.000 0.472 1021 G N 2.852 111.644 108.800 -0.012 0.000 2.259 1021 G HA2 -0.226 3.736 3.960 0.003 0.000 0.217 1021 G HA3 -0.226 3.736 3.960 0.003 0.000 0.217 1021 G C -0.273 174.623 174.900 -0.007 0.000 1.001 1021 G CA -0.503 44.592 45.100 -0.009 0.000 0.627 1021 G HN 0.589 nan 8.290 nan 0.000 0.501 1022 E N 0.488 120.684 120.200 -0.007 0.000 2.129 1022 E HA 0.655 5.007 4.350 0.003 0.000 0.268 1022 E C 1.100 177.696 176.600 -0.007 0.000 0.900 1022 E CA -0.074 56.322 56.400 -0.006 0.000 0.755 1022 E CB 1.609 31.308 29.700 -0.003 0.000 1.117 1022 E HN 0.361 nan 8.360 nan 0.000 0.410 1023 A N 3.321 126.137 122.820 -0.007 0.000 1.873 1023 A HA -0.031 4.291 4.320 0.003 0.000 0.215 1023 A C 1.119 178.699 177.584 -0.006 0.000 1.186 1023 A CA 1.792 53.824 52.037 -0.007 0.000 0.616 1023 A CB -0.207 18.788 19.000 -0.008 0.000 0.823 1023 A HN 0.643 nan 8.150 nan 0.000 0.442 1024 E N -1.457 118.739 120.200 -0.007 0.000 2.288 1024 E HA 0.614 4.966 4.350 0.003 0.000 0.268 1024 E C -0.944 175.653 176.600 -0.005 0.000 0.885 1024 E CA -0.345 56.052 56.400 -0.006 0.000 0.767 1024 E CB 1.431 31.126 29.700 -0.009 0.000 1.220 1024 E HN 0.194 nan 8.360 nan 0.000 0.427 1025 T N 2.228 116.781 114.554 -0.001 0.000 2.928 1025 T HA 0.447 4.799 4.350 0.003 0.000 0.296 1025 T C -0.185 174.518 174.700 0.004 0.000 1.000 1025 T CA -0.681 61.420 62.100 0.002 0.000 0.989 1025 T CB 0.756 69.631 68.868 0.011 0.000 1.005 1025 T HN 0.504 nan 8.240 nan 0.000 0.442 1026 R N 1.721 122.219 120.500 -0.002 0.000 2.570 1026 R HA 0.521 4.863 4.340 0.003 0.000 0.277 1026 R C 0.168 176.474 176.300 0.009 0.000 1.039 1026 R CA -0.397 55.702 56.100 -0.003 0.000 1.065 1026 R CB 0.369 30.659 30.300 -0.017 0.000 0.964 1026 R HN 0.529 nan 8.270 nan 0.000 0.428 1027 V N -1.839 118.084 119.914 0.015 0.000 3.232 1027 V HA 0.862 4.984 4.120 0.003 0.000 0.303 1027 V C -1.156 174.956 176.094 0.031 0.000 1.311 1027 V CA -1.213 61.102 62.300 0.025 0.000 1.061 1027 V CB 2.107 33.951 31.823 0.036 0.000 1.085 1027 V HN 0.830 nan 8.190 nan 0.000 0.447 1028 A N 1.310 124.150 122.820 0.032 0.000 2.330 1028 A HA 0.929 5.251 4.320 0.003 0.000 0.327 1028 A C -0.780 176.837 177.584 0.055 0.000 1.155 1028 A CA -0.713 51.345 52.037 0.036 0.000 0.803 1028 A CB 1.644 20.650 19.000 0.011 0.000 1.208 1028 A HN 1.604 nan 8.150 nan 0.000 0.477 1029 V N 2.762 122.726 119.914 0.084 0.000 2.531 1029 V HA 0.374 4.496 4.120 0.003 0.000 0.301 1029 V C -0.242 175.914 176.094 0.104 0.000 1.034 1029 V CA -0.709 61.658 62.300 0.112 0.000 0.865 1029 V CB 1.739 33.655 31.823 0.155 0.000 0.995 1029 V HN 0.899 nan 8.190 nan 0.000 0.424 1030 K N 2.863 123.330 120.400 0.112 0.000 2.185 1030 K HA 0.673 4.995 4.320 0.003 0.000 0.269 1030 K C 0.127 176.824 176.600 0.162 0.000 0.987 1030 K CA -0.445 55.908 56.287 0.111 0.000 0.865 1030 K CB 2.017 34.637 32.500 0.199 0.000 1.090 1030 K HN 0.907 nan 8.250 nan 0.000 0.450 1031 T N -2.086 112.481 114.554 0.021 0.000 2.919 1031 T HA 0.581 4.933 4.350 0.003 0.000 0.282 1031 T C -0.363 174.182 174.700 -0.259 0.000 1.020 1031 T CA -0.790 61.300 62.100 -0.016 0.000 0.994 1031 T CB 1.302 70.214 68.868 0.073 0.000 1.180 1031 T HN 0.167 nan 8.240 nan 0.000 0.566 1032 V N 2.225 121.997 119.914 -0.236 0.000 2.482 1032 V HA 0.369 4.491 4.120 0.003 0.000 0.295 1032 V C -0.600 175.449 176.094 -0.076 0.000 1.026 1032 V CA -1.194 60.948 62.300 -0.263 0.000 0.856 1032 V CB 1.636 33.209 31.823 -0.416 0.000 1.001 1032 V HN 0.899 nan 8.190 nan 0.000 0.424 1033 N N 3.691 122.388 118.700 -0.005 0.000 2.356 1033 N HA 0.048 4.790 4.740 0.003 0.000 0.252 1033 N C 1.471 176.980 175.510 -0.002 0.000 1.241 1033 N CA 0.832 53.889 53.050 0.013 0.000 0.861 1033 N CB 1.013 39.524 38.487 0.041 0.000 1.075 1033 N HN 0.896 nan 8.380 nan 0.000 0.461 1034 E N 1.373 121.571 120.200 -0.003 0.000 2.147 1034 E HA -0.230 4.122 4.350 0.003 0.000 0.199 1034 E C 1.604 178.193 176.600 -0.018 0.000 1.005 1034 E CA 2.000 58.394 56.400 -0.010 0.000 0.810 1034 E CB -0.736 28.962 29.700 -0.003 0.000 0.736 1034 E HN 0.701 nan 8.360 nan 0.000 0.460 1035 S N -0.430 115.262 115.700 -0.013 0.000 2.660 1035 S HA 0.550 5.022 4.470 0.003 0.000 0.223 1035 S C 1.235 175.808 174.600 -0.045 0.000 0.963 1035 S CA 0.225 58.412 58.200 -0.022 0.000 0.932 1035 S CB -0.337 62.858 63.200 -0.008 0.000 0.775 1035 S HN 0.961 nan 8.310 nan 0.000 0.531 1036 A N 2.642 125.426 122.820 -0.061 0.000 2.540 1036 A HA 0.477 4.799 4.320 0.003 0.000 0.239 1036 A C 0.851 178.319 177.584 -0.194 0.000 1.061 1036 A CA -0.071 51.870 52.037 -0.159 0.000 0.758 1036 A CB -0.091 18.799 19.000 -0.184 0.000 0.991 1036 A HN 0.712 nan 8.150 nan 0.000 0.502 1037 S N 2.265 117.814 115.700 -0.253 0.000 2.614 1037 S HA 0.284 4.756 4.470 0.003 0.000 0.265 1037 S C 1.098 175.577 174.600 -0.202 0.000 1.303 1037 S CA -0.044 58.043 58.200 -0.188 0.000 1.000 1037 S CB 0.586 63.688 63.200 -0.163 0.000 0.935 1037 S HN 1.201 nan 8.310 nan 0.000 0.551 1038 L N 1.210 122.356 121.223 -0.128 0.000 2.013 1038 L HA -0.094 4.248 4.340 0.003 0.000 0.212 1038 L C 2.784 179.584 176.870 -0.117 0.000 1.073 1038 L CA 2.155 56.934 54.840 -0.101 0.000 0.753 1038 L CB -0.905 41.116 42.059 -0.064 0.000 0.890 1038 L HN 0.940 nan 8.230 nan 0.000 0.432 1039 R N -0.370 120.058 120.500 -0.121 0.000 2.094 1039 R HA -0.226 4.116 4.340 0.003 0.000 0.239 1039 R C 2.173 178.370 176.300 -0.172 0.000 1.137 1039 R CA 2.237 58.270 56.100 -0.110 0.000 0.943 1039 R CB -0.395 29.851 30.300 -0.090 0.000 0.850 1039 R HN 0.591 nan 8.270 nan 0.000 0.433 1040 E N -0.141 119.848 120.200 -0.352 0.000 2.058 1040 E HA -0.223 4.129 4.350 0.003 0.000 0.194 1040 E C 2.245 178.544 176.600 -0.501 0.000 0.997 1040 E CA 1.537 57.492 56.400 -0.743 0.000 0.801 1040 E CB -0.106 28.635 29.700 -1.597 0.000 0.746 1040 E HN 0.394 nan 8.360 nan 0.000 0.450 1041 R N 0.340 120.643 120.500 -0.327 0.000 2.115 1041 R HA -0.056 4.286 4.340 0.003 0.000 0.230 1041 R C 2.349 178.690 176.300 0.068 0.000 1.111 1041 R CA 0.884 56.953 56.100 -0.050 0.000 0.976 1041 R CB -0.199 30.068 30.300 -0.056 0.000 0.870 1041 R HN 0.224 nan 8.270 nan 0.000 0.445 1042 I N 0.436 121.005 120.570 -0.002 0.000 2.353 1042 I HA -0.209 3.963 4.170 0.003 0.000 0.248 1042 I C 2.469 178.616 176.117 0.050 0.000 1.119 1042 I CA 1.143 62.455 61.300 0.019 0.000 1.417 1042 I CB -0.179 37.814 38.000 -0.011 0.000 1.078 1042 I HN 0.259 nan 8.210 nan 0.000 0.421 1043 E N 0.681 120.925 120.200 0.072 0.000 2.107 1043 E HA -0.230 4.122 4.350 0.003 0.000 0.191 1043 E C 2.116 178.835 176.600 0.199 0.000 0.982 1043 E CA 0.932 57.401 56.400 0.116 0.000 0.809 1043 E CB 0.026 29.815 29.700 0.149 0.000 0.756 1043 E HN 0.358 nan 8.360 nan 0.000 0.459 1044 F N 0.924 120.962 119.950 0.146 0.000 2.234 1044 F HA -0.141 4.388 4.527 0.004 0.000 0.299 1044 F C 1.956 177.783 175.800 0.046 0.000 1.087 1044 F CA 0.760 58.858 58.000 0.162 0.000 1.340 1044 F CB -0.122 39.041 39.000 0.271 0.000 1.031 1044 F HN 0.092 nan 8.300 nan 0.000 0.500 1045 L N 0.649 121.930 121.223 0.097 0.000 2.017 1045 L HA -0.212 4.130 4.340 0.003 0.000 0.208 1045 L C 2.065 178.866 176.870 -0.115 0.000 1.073 1045 L CA 2.167 56.991 54.840 -0.027 0.000 0.745 1045 L CB -1.267 40.801 42.059 0.016 0.000 0.894 1045 L HN 0.169 nan 8.230 nan 0.000 0.432 1046 N N -0.550 118.105 118.700 -0.075 0.000 2.142 1046 N HA -0.237 4.505 4.740 0.003 0.000 0.186 1046 N C 1.882 177.296 175.510 -0.160 0.000 1.023 1046 N CA 1.474 54.465 53.050 -0.099 0.000 0.852 1046 N CB -0.111 38.348 38.487 -0.048 0.000 0.998 1046 N HN 0.510 nan 8.380 nan 0.000 0.424 1047 E N -0.314 119.792 120.200 -0.156 0.000 2.033 1047 E HA -0.247 4.105 4.350 0.003 0.000 0.199 1047 E C 1.815 178.253 176.600 -0.270 0.000 1.011 1047 E CA 1.450 57.749 56.400 -0.168 0.000 0.815 1047 E CB -0.275 29.304 29.700 -0.202 0.000 0.755 1047 E HN 0.481 nan 8.360 nan 0.000 0.451 1048 A N 0.298 122.879 122.820 -0.398 0.000 1.883 1048 A HA -0.213 4.109 4.320 0.003 0.000 0.217 1048 A C 2.328 179.648 177.584 -0.440 0.000 1.186 1048 A CA 2.063 53.840 52.037 -0.434 0.000 0.624 1048 A CB -0.894 17.828 19.000 -0.464 0.000 0.822 1048 A HN 0.342 nan 8.150 nan 0.000 0.444 1049 S N -0.488 114.993 115.700 -0.365 0.000 2.356 1049 S HA -0.156 4.316 4.470 0.003 0.000 0.223 1049 S C 2.095 176.419 174.600 -0.459 0.000 1.032 1049 S CA 2.101 60.087 58.200 -0.358 0.000 1.005 1049 S CB -0.860 62.201 63.200 -0.231 0.000 0.867 1049 S HN 1.007 nan 8.310 nan 0.000 0.449 1050 V N 0.288 119.901 119.914 -0.501 0.000 2.392 1050 V HA -0.146 3.976 4.120 0.003 0.000 0.249 1050 V C 2.252 177.617 176.094 -1.214 0.000 1.059 1050 V CA 2.141 63.945 62.300 -0.827 0.000 1.051 1050 V CB -1.000 30.343 31.823 -0.799 0.000 0.658 1050 V HN 0.496 nan 8.190 nan 0.000 0.455 1051 M N -0.180 118.906 119.600 -0.857 0.000 2.159 1051 M HA -0.146 4.336 4.480 0.003 0.000 0.263 1051 M C 2.395 178.280 176.300 -0.691 0.000 1.063 1051 M CA 2.040 56.885 55.300 -0.758 0.000 1.110 1051 M CB -0.501 31.839 32.600 -0.433 0.000 1.374 1051 M HN 0.330 nan 8.290 nan 0.000 0.411 1052 K N -0.085 119.889 120.400 -0.710 0.000 2.173 1052 K HA -0.165 4.157 4.320 0.003 0.000 0.207 1052 K C 1.769 178.215 176.600 -0.257 0.000 1.046 1052 K CA 1.381 57.263 56.287 -0.676 0.000 0.929 1052 K CB -0.415 31.709 32.500 -0.626 0.000 0.720 1052 K HN 0.472 nan 8.250 nan 0.000 0.453 1053 G N -0.172 108.378 108.800 -0.417 0.000 3.042 1053 G HA2 0.042 4.004 3.960 0.003 0.000 0.212 1053 G HA3 0.042 4.004 3.960 0.003 0.000 0.212 1053 G C -0.006 174.837 174.900 -0.095 0.000 1.166 1053 G CA -0.283 44.677 45.100 -0.233 0.000 0.767 1053 G HN -0.043 nan 8.290 nan 0.000 0.546 1054 F N 0.555 120.473 119.950 -0.053 0.000 2.377 1054 F HA 0.633 5.162 4.527 0.003 0.000 0.328 1054 F C 0.390 176.197 175.800 0.012 0.000 1.094 1054 F CA -1.281 56.738 58.000 0.032 0.000 1.093 1054 F CB 1.962 40.890 39.000 -0.120 0.000 1.214 1054 F HN -0.298 nan 8.300 nan 0.000 0.518 1055 T N 1.288 115.942 114.554 0.166 0.000 3.422 1055 T HA 0.335 4.687 4.350 0.003 0.000 0.327 1055 T C -1.638 172.839 174.700 -0.371 0.000 0.840 1055 T CA -0.454 61.630 62.100 -0.025 0.000 1.126 1055 T CB 0.519 69.438 68.868 0.085 0.000 1.008 1055 T HN 0.789 nan 8.240 nan 0.000 0.485 1056 C N 2.853 121.886 119.300 -0.446 0.000 2.752 1056 C HA 0.497 4.959 4.460 0.003 0.000 0.360 1056 C C 1.492 176.328 174.990 -0.257 0.000 1.081 1056 C CA -0.459 58.238 59.018 -0.534 0.000 1.272 1056 C CB 0.516 27.584 27.740 -1.120 0.000 1.754 1056 C HN 1.088 nan 8.230 nan 0.000 0.483 1057 H N 1.878 120.763 119.070 -0.308 0.000 2.460 1057 H HA -0.093 4.465 4.556 0.003 0.000 0.297 1057 H C 1.074 176.161 175.328 -0.401 0.000 1.103 1057 H CA 2.472 58.304 56.048 -0.359 0.000 1.292 1057 H CB -0.020 29.464 29.762 -0.464 0.000 1.376 1057 H HN 0.868 nan 8.280 nan 0.000 0.531 1058 H N -1.399 117.611 119.070 -0.100 0.000 2.507 1058 H HA 0.368 4.926 4.556 0.003 0.000 0.294 1058 H C -0.705 174.577 175.328 -0.077 0.000 1.064 1058 H CA -0.220 55.772 56.048 -0.094 0.000 1.138 1058 H CB 0.622 30.399 29.762 0.025 0.000 1.515 1058 H HN 0.001 nan 8.280 nan 0.000 0.547 1059 V N 1.360 121.252 119.914 -0.036 0.000 2.638 1059 V HA 0.111 4.233 4.120 0.003 0.000 0.306 1059 V C -0.005 176.120 176.094 0.052 0.000 1.052 1059 V CA -1.141 61.188 62.300 0.048 0.000 0.885 1059 V CB 2.438 34.239 31.823 -0.036 0.000 0.999 1059 V HN -0.001 nan 8.190 nan 0.000 0.424 1060 V N 5.136 125.133 119.914 0.138 0.000 2.539 1060 V HA 0.050 4.172 4.120 0.003 0.000 0.300 1060 V C 0.785 176.943 176.094 0.107 0.000 1.019 1060 V CA 0.336 62.694 62.300 0.097 0.000 1.160 1060 V CB 0.066 31.956 31.823 0.110 0.000 0.901 1060 V HN 0.851 nan 8.190 nan 0.000 0.481 1061 R N 4.441 124.969 120.500 0.046 0.000 2.308 1061 R HA 0.449 4.791 4.340 0.003 0.000 0.305 1061 R C -0.604 175.728 176.300 0.053 0.000 1.053 1061 R CA -0.864 55.267 56.100 0.051 0.000 0.957 1061 R CB 0.997 31.324 30.300 0.045 0.000 1.022 1061 R HN 0.613 nan 8.270 nan 0.000 0.461 1062 L N 5.197 126.435 121.223 0.026 0.000 2.349 1062 L HA 0.194 4.536 4.340 0.003 0.000 0.275 1062 L C -0.064 176.930 176.870 0.207 0.000 1.115 1062 L CA 0.409 55.235 54.840 -0.024 0.000 0.820 1062 L CB 1.126 42.987 42.059 -0.330 0.000 1.135 1062 L HN 0.846 nan 8.230 nan 0.000 0.445 1063 L N 3.946 125.297 121.223 0.214 0.000 2.577 1063 L HA 0.552 4.894 4.340 0.003 0.000 0.225 1063 L C 0.842 177.946 176.870 0.390 0.000 1.053 1063 L CA 0.370 55.391 54.840 0.302 0.000 0.866 1063 L CB 0.300 42.447 42.059 0.148 0.000 1.132 1063 L HN 0.824 nan 8.230 nan 0.000 0.486 1064 G N -0.741 108.254 108.800 0.325 0.000 2.441 1064 G HA2 0.498 4.460 3.960 0.003 0.000 0.294 1064 G HA3 0.498 4.460 3.960 0.003 0.000 0.294 1064 G C -2.062 172.949 174.900 0.185 0.000 1.393 1064 G CA -0.389 44.908 45.100 0.329 0.000 0.796 1064 G HN -0.318 nan 8.290 nan 0.000 0.494 1065 V N 0.010 120.028 119.914 0.173 0.000 2.612 1065 V HA 0.512 4.634 4.120 0.003 0.000 0.301 1065 V C -0.450 175.701 176.094 0.095 0.000 1.059 1065 V CA -0.686 61.675 62.300 0.102 0.000 0.886 1065 V CB 1.722 33.586 31.823 0.068 0.000 1.007 1065 V HN 0.731 nan 8.190 nan 0.000 0.426 1066 V N 4.243 124.206 119.914 0.082 0.000 2.333 1066 V HA 0.394 4.516 4.120 0.003 0.000 0.274 1066 V C 0.834 176.968 176.094 0.066 0.000 1.028 1066 V CA 0.346 62.686 62.300 0.067 0.000 0.851 1066 V CB 1.228 33.087 31.823 0.060 0.000 1.000 1066 V HN 1.066 nan 8.190 nan 0.000 0.456 1067 S N 2.118 117.851 115.700 0.055 0.000 2.649 1067 S HA 0.197 4.669 4.470 0.003 0.000 0.246 1067 S C 1.031 175.652 174.600 0.035 0.000 1.057 1067 S CA 0.166 58.396 58.200 0.050 0.000 1.051 1067 S CB 0.072 63.303 63.200 0.051 0.000 1.018 1067 S HN 0.757 nan 8.310 nan 0.000 0.569 1068 K N 1.999 122.416 120.400 0.028 0.000 2.237 1068 K HA 0.605 4.927 4.320 0.003 0.000 0.283 1068 K C 0.933 177.542 176.600 0.016 0.000 1.080 1068 K CA 0.262 56.559 56.287 0.016 0.000 0.965 1068 K CB -1.388 31.118 32.500 0.010 0.000 1.098 1068 K HN 1.404 nan 8.250 nan 0.000 0.434 1069 G N -1.009 107.800 108.800 0.015 0.000 2.526 1069 G HA2 0.463 4.425 3.960 0.003 0.000 0.250 1069 G HA3 0.463 4.425 3.960 0.003 0.000 0.250 1069 G C -0.288 174.623 174.900 0.019 0.000 1.289 1069 G CA 0.388 45.496 45.100 0.013 0.000 0.947 1069 G HN 1.800 nan 8.290 nan 0.000 0.517 1070 Q N -0.125 119.684 119.800 0.016 0.000 2.413 1070 Q HA 0.879 5.221 4.340 0.003 0.000 0.276 1070 Q C -1.947 174.064 176.000 0.017 0.000 1.099 1070 Q CA -0.823 54.991 55.803 0.018 0.000 0.814 1070 Q CB 1.701 30.447 28.738 0.013 0.000 1.379 1070 Q HN 1.241 nan 8.270 nan 0.000 0.436 1071 P HA 0.453 nan 4.420 nan 0.000 0.281 1071 P C -0.489 176.840 177.300 0.047 0.000 1.264 1071 P CA -0.220 62.898 63.100 0.030 0.000 0.824 1071 P CB 1.074 32.793 31.700 0.032 0.000 1.092 1072 T N 1.243 115.832 114.554 0.058 0.000 2.940 1072 T HA 0.251 4.603 4.350 0.003 0.000 0.309 1072 T C 0.215 174.987 174.700 0.120 0.000 1.056 1072 T CA 0.219 62.374 62.100 0.092 0.000 1.137 1072 T CB -0.177 68.767 68.868 0.127 0.000 0.976 1072 T HN 0.193 nan 8.240 nan 0.000 0.547 1073 L N 3.041 124.338 121.223 0.124 0.000 2.385 1073 L HA 0.565 4.907 4.340 0.003 0.000 0.273 1073 L C -0.639 176.315 176.870 0.139 0.000 0.990 1073 L CA -1.129 53.793 54.840 0.138 0.000 0.821 1073 L CB 1.995 44.116 42.059 0.103 0.000 1.279 1073 L HN 0.313 nan 8.230 nan 0.000 0.412 1074 V N 4.087 124.100 119.914 0.165 0.000 2.347 1074 V HA 0.338 4.460 4.120 0.003 0.000 0.280 1074 V C 0.007 176.143 176.094 0.069 0.000 1.021 1074 V CA -0.573 61.778 62.300 0.084 0.000 0.847 1074 V CB 1.991 33.836 31.823 0.036 0.000 0.990 1074 V HN 0.428 nan 8.190 nan 0.000 0.444 1075 V N 7.195 127.142 119.914 0.055 0.000 2.370 1075 V HA 0.544 4.666 4.120 0.003 0.000 0.279 1075 V C 0.074 176.197 176.094 0.049 0.000 1.029 1075 V CA -0.237 62.100 62.300 0.063 0.000 0.870 1075 V CB 1.246 33.116 31.823 0.078 0.000 0.984 1075 V HN 0.849 nan 8.190 nan 0.000 0.451 1076 M N 3.084 122.708 119.600 0.039 0.000 2.796 1076 M HA 0.530 5.012 4.480 0.003 0.000 0.303 1076 M C -0.050 176.271 176.300 0.035 0.000 1.240 1076 M CA -0.790 54.529 55.300 0.032 0.000 0.831 1076 M CB 1.863 34.472 32.600 0.016 0.000 1.750 1076 M HN 0.751 nan 8.290 nan 0.000 0.484 1077 E N 1.073 121.291 120.200 0.031 0.000 2.373 1077 E HA 0.337 4.689 4.350 0.003 0.000 0.267 1077 E C -1.080 175.524 176.600 0.006 0.000 1.032 1077 E CA -0.674 55.739 56.400 0.021 0.000 0.889 1077 E CB 0.864 30.571 29.700 0.012 0.000 0.984 1077 E HN 0.497 nan 8.360 nan 0.000 0.425 1078 L N 3.696 124.922 121.223 0.005 0.000 2.360 1078 L HA 0.161 4.503 4.340 0.003 0.000 0.276 1078 L C -0.514 176.339 176.870 -0.029 0.000 1.121 1078 L CA 0.033 54.867 54.840 -0.009 0.000 0.845 1078 L CB 0.782 42.837 42.059 -0.007 0.000 1.143 1078 L HN 0.677 nan 8.230 nan 0.000 0.452 1079 M N 6.065 125.637 119.600 -0.047 0.000 2.901 1079 M HA 0.250 4.732 4.480 0.003 0.000 0.294 1079 M C 1.324 177.562 176.300 -0.104 0.000 1.255 1079 M CA -0.117 55.136 55.300 -0.078 0.000 1.274 1079 M CB -0.115 32.445 32.600 -0.067 0.000 1.173 1079 M HN 0.897 nan 8.290 nan 0.000 0.525 1080 A N 1.561 124.292 122.820 -0.147 0.000 1.941 1080 A HA -0.237 4.085 4.320 0.003 0.000 0.233 1080 A C 1.561 178.951 177.584 -0.324 0.000 1.649 1080 A CA 2.150 54.028 52.037 -0.266 0.000 0.726 1080 A CB -0.952 17.809 19.000 -0.398 0.000 0.843 1080 A HN 0.778 nan 8.150 nan 0.000 0.511 1081 H N -0.123 118.872 119.070 -0.126 0.000 2.536 1081 H HA 0.353 4.911 4.556 0.003 0.000 0.276 1081 H C 1.601 176.915 175.328 -0.024 0.000 1.019 1081 H CA 0.620 56.620 56.048 -0.081 0.000 1.159 1081 H CB -0.846 28.778 29.762 -0.229 0.000 1.373 1081 H HN 0.866 nan 8.280 nan 0.000 0.584 1082 G N 2.040 110.859 108.800 0.032 0.000 2.569 1082 G HA2 -0.276 3.686 3.960 0.003 0.000 0.259 1082 G HA3 -0.276 3.686 3.960 0.003 0.000 0.259 1082 G C -0.148 174.773 174.900 0.035 0.000 1.263 1082 G CA -0.002 45.118 45.100 0.034 0.000 0.928 1082 G HN 0.518 nan 8.290 nan 0.000 0.572 1083 D N 0.320 120.748 120.400 0.047 0.000 2.339 1083 D HA 0.309 4.950 4.640 0.003 0.000 0.245 1083 D C 1.665 178.029 176.300 0.107 0.000 1.115 1083 D CA -0.342 53.685 54.000 0.045 0.000 0.917 1083 D CB 1.596 42.410 40.800 0.024 0.000 1.192 1083 D HN 0.485 nan 8.370 nan 0.000 0.428 1084 L N 1.843 123.125 121.223 0.097 0.000 2.079 1084 L HA -0.190 4.152 4.340 0.003 0.000 0.210 1084 L C 2.421 179.399 176.870 0.180 0.000 1.081 1084 L CA 1.919 56.856 54.840 0.161 0.000 0.752 1084 L CB -0.873 41.257 42.059 0.118 0.000 0.896 1084 L HN 0.622 nan 8.230 nan 0.000 0.433 1085 K N -1.308 119.172 120.400 0.132 0.000 2.002 1085 K HA -0.157 4.165 4.320 0.003 0.000 0.209 1085 K C 2.140 178.809 176.600 0.115 0.000 1.048 1085 K CA 1.701 58.065 56.287 0.128 0.000 0.930 1085 K CB -0.149 32.425 32.500 0.122 0.000 0.714 1085 K HN 0.332 nan 8.250 nan 0.000 0.438 1086 S N -0.019 115.751 115.700 0.116 0.000 2.353 1086 S HA -0.195 4.277 4.470 0.003 0.000 0.222 1086 S C 1.648 176.328 174.600 0.133 0.000 1.035 1086 S CA 1.494 59.760 58.200 0.109 0.000 1.025 1086 S CB -0.590 62.675 63.200 0.108 0.000 0.902 1086 S HN 0.419 nan 8.310 nan 0.000 0.440 1087 Y N 2.351 122.687 120.300 0.060 0.000 2.081 1087 Y HA -0.198 4.354 4.550 0.003 0.000 0.280 1087 Y C 1.995 177.920 175.900 0.041 0.000 1.163 1087 Y CA 1.434 59.573 58.100 0.064 0.000 1.135 1087 Y CB -0.742 37.765 38.460 0.079 0.000 0.970 1087 Y HN 0.151 nan 8.280 nan 0.000 0.498 1088 L N -0.164 121.057 121.223 -0.002 0.000 2.013 1088 L HA -0.313 4.029 4.340 0.003 0.000 0.212 1088 L C 2.678 179.468 176.870 -0.133 0.000 1.073 1088 L CA 1.905 56.679 54.840 -0.110 0.000 0.753 1088 L CB -0.563 41.504 42.059 0.014 0.000 0.890 1088 L HN 0.212 nan 8.230 nan 0.000 0.432 1089 R N -0.268 120.200 120.500 -0.052 0.000 2.120 1089 R HA -0.137 4.205 4.340 0.003 0.000 0.234 1089 R C 2.511 178.769 176.300 -0.070 0.000 1.123 1089 R CA 1.614 57.690 56.100 -0.041 0.000 0.975 1089 R CB -0.420 29.884 30.300 0.008 0.000 0.866 1089 R HN 0.509 nan 8.270 nan 0.000 0.446 1090 S N 0.744 116.388 115.700 -0.093 0.000 2.447 1090 S HA -0.032 4.440 4.470 0.003 0.000 0.233 1090 S C 1.898 176.415 174.600 -0.140 0.000 1.006 1090 S CA 0.694 58.841 58.200 -0.088 0.000 0.957 1090 S CB -0.225 62.944 63.200 -0.053 0.000 0.773 1090 S HN 0.244 nan 8.310 nan 0.000 0.507 1091 L N 0.518 121.604 121.223 -0.228 0.000 2.552 1091 L HA 0.157 4.499 4.340 0.003 0.000 0.227 1091 L C 1.194 177.981 176.870 -0.139 0.000 1.146 1091 L CA 0.048 54.756 54.840 -0.221 0.000 0.858 1091 L CB -0.317 41.550 42.059 -0.320 0.000 0.969 1091 L HN 0.168 nan 8.230 nan 0.000 0.451 1092 R N 1.275 121.709 120.500 -0.110 0.000 2.640 1092 R HA -0.031 4.311 4.340 0.003 0.000 0.270 1092 R C -1.155 175.106 176.300 -0.066 0.000 1.024 1092 R CA -0.907 55.145 56.100 -0.080 0.000 1.085 1092 R CB 0.107 30.371 30.300 -0.060 0.000 0.963 1092 R HN -0.067 nan 8.270 nan 0.000 0.426 1093 P HA -0.159 nan 4.420 nan 0.000 0.218 1093 P C 0.781 178.061 177.300 -0.034 0.000 1.149 1093 P CA 1.643 64.715 63.100 -0.046 0.000 0.817 1093 P CB 0.181 31.855 31.700 -0.043 0.000 0.785 1094 E N -0.001 120.180 120.200 -0.031 0.000 2.489 1094 E HA 0.335 4.687 4.350 0.003 0.000 0.193 1094 E C 1.249 177.838 176.600 -0.018 0.000 1.057 1094 E CA 0.264 56.651 56.400 -0.022 0.000 0.866 1094 E CB -0.826 28.863 29.700 -0.019 0.000 0.916 1094 E HN 0.430 nan 8.360 nan 0.000 0.500 1095 A N 0.601 123.407 122.820 -0.024 0.000 2.548 1095 A HA 0.446 4.768 4.320 0.003 0.000 0.247 1095 A C 1.530 179.109 177.584 -0.008 0.000 1.067 1095 A CA 0.659 52.685 52.037 -0.018 0.000 0.757 1095 A CB -0.374 18.608 19.000 -0.029 0.000 0.996 1095 A HN 0.726 nan 8.150 nan 0.000 0.504 1096 E N 2.247 122.447 120.200 -0.000 0.000 2.463 1096 E HA -0.159 4.193 4.350 0.003 0.000 0.201 1096 E C 0.690 177.296 176.600 0.011 0.000 1.045 1096 E CA 1.294 57.697 56.400 0.006 0.000 0.872 1096 E CB -0.673 29.033 29.700 0.009 0.000 0.797 1096 E HN 0.902 nan 8.360 nan 0.000 0.538 1097 N N -0.616 118.090 118.700 0.011 0.000 2.305 1097 N HA -0.014 4.728 4.740 0.003 0.000 0.248 1097 N C -0.266 175.256 175.510 0.019 0.000 1.290 1097 N CA -0.412 52.652 53.050 0.022 0.000 0.873 1097 N CB -0.542 37.965 38.487 0.033 0.000 1.261 1097 N HN 0.171 nan 8.380 nan 0.000 0.504 1098 N N 3.125 121.825 118.700 0.001 0.000 2.359 1098 N HA -0.026 4.716 4.740 0.003 0.000 0.261 1098 N C -1.199 174.319 175.510 0.013 0.000 1.267 1098 N CA -0.327 52.715 53.050 -0.014 0.000 0.864 1098 N CB 1.093 39.565 38.487 -0.025 0.000 1.063 1098 N HN 0.171 nan 8.380 nan 0.000 0.474 1099 P HA 0.097 nan 4.420 nan 0.000 0.245 1099 P C 0.318 177.650 177.300 0.053 0.000 1.212 1099 P CA 0.583 63.725 63.100 0.070 0.000 0.774 1099 P CB 0.133 31.909 31.700 0.127 0.000 0.999 1100 G N 1.004 109.815 108.800 0.018 0.000 2.167 1100 G HA2 -0.167 3.795 3.960 0.003 0.000 0.194 1100 G HA3 -0.167 3.795 3.960 0.003 0.000 0.194 1100 G C -0.139 174.759 174.900 -0.003 0.000 1.027 1100 G CA -0.230 44.877 45.100 0.012 0.000 0.717 1100 G HN 0.669 nan 8.290 nan 0.000 0.501 1101 R N -1.383 119.100 120.500 -0.027 0.000 2.604 1101 R HA 0.706 5.048 4.340 0.003 0.000 0.270 1101 R C -3.162 173.090 176.300 -0.080 0.000 1.052 1101 R CA -1.926 54.142 56.100 -0.052 0.000 0.902 1101 R CB 0.737 30.999 30.300 -0.063 0.000 1.233 1101 R HN 0.035 nan 8.270 nan 0.000 0.455 1102 P HA 0.103 nan 4.420 nan 0.000 0.267 1102 P C -2.374 174.860 177.300 -0.111 0.000 1.201 1102 P CA -0.746 62.303 63.100 -0.085 0.000 0.775 1102 P CB -0.064 31.593 31.700 -0.072 0.000 0.854 1103 P HA 0.094 nan 4.420 nan 0.000 0.270 1103 P C -2.311 174.922 177.300 -0.111 0.000 1.227 1103 P CA -0.726 62.299 63.100 -0.125 0.000 0.788 1103 P CB -1.017 30.618 31.700 -0.109 0.000 0.926 1104 P HA -0.011 nan 4.420 nan 0.000 0.262 1104 P C 0.006 177.262 177.300 -0.073 0.000 1.182 1104 P CA 0.433 63.487 63.100 -0.076 0.000 0.761 1104 P CB -0.075 31.598 31.700 -0.046 0.000 0.795 1105 T N 0.465 114.978 114.554 -0.068 0.000 2.847 1105 T HA 0.180 4.532 4.350 0.003 0.000 0.279 1105 T C 1.260 175.926 174.700 -0.057 0.000 0.984 1105 T CA -0.807 61.256 62.100 -0.062 0.000 0.988 1105 T CB 0.419 69.253 68.868 -0.058 0.000 1.040 1105 T HN 0.236 nan 8.240 nan 0.000 0.528 1106 L N 0.401 121.591 121.223 -0.055 0.000 2.021 1106 L HA -0.227 4.115 4.340 0.003 0.000 0.215 1106 L C 3.031 179.870 176.870 -0.051 0.000 1.074 1106 L CA 2.285 57.092 54.840 -0.055 0.000 0.760 1106 L CB -0.549 41.479 42.059 -0.051 0.000 0.889 1106 L HN 0.985 nan 8.230 nan 0.000 0.433 1107 Q N -0.242 119.530 119.800 -0.047 0.000 2.084 1107 Q HA -0.265 4.077 4.340 0.003 0.000 0.202 1107 Q C 1.889 177.865 176.000 -0.040 0.000 0.978 1107 Q CA 2.044 57.821 55.803 -0.044 0.000 0.844 1107 Q CB -0.042 28.674 28.738 -0.037 0.000 0.898 1107 Q HN 0.589 nan 8.270 nan 0.000 0.426 1108 E N -0.272 119.905 120.200 -0.039 0.000 2.268 1108 E HA -0.147 4.205 4.350 0.003 0.000 0.195 1108 E C 1.986 178.572 176.600 -0.023 0.000 0.995 1108 E CA 0.961 57.343 56.400 -0.030 0.000 0.836 1108 E CB 0.004 29.677 29.700 -0.045 0.000 0.763 1108 E HN 0.507 nan 8.360 nan 0.000 0.491 1109 M N 0.178 119.756 119.600 -0.036 0.000 2.193 1109 M HA -0.081 4.401 4.480 0.003 0.000 0.265 1109 M C 2.133 178.411 176.300 -0.038 0.000 1.071 1109 M CA 0.839 56.118 55.300 -0.036 0.000 1.140 1109 M CB -0.037 32.531 32.600 -0.054 0.000 1.369 1109 M HN 0.105 nan 8.290 nan 0.000 0.423 1110 I N 0.501 121.042 120.570 -0.049 0.000 2.226 1110 I HA -0.260 3.912 4.170 0.003 0.000 0.245 1110 I C 2.462 178.532 176.117 -0.079 0.000 1.100 1110 I CA 1.607 62.871 61.300 -0.059 0.000 1.374 1110 I CB -1.378 36.578 38.000 -0.073 0.000 1.057 1110 I HN 0.356 nan 8.210 nan 0.000 0.413 1111 Q N 1.139 120.893 119.800 -0.077 0.000 2.061 1111 Q HA -0.195 4.147 4.340 0.003 0.000 0.204 1111 Q C 2.295 178.261 176.000 -0.058 0.000 0.984 1111 Q CA 1.937 57.684 55.803 -0.093 0.000 0.846 1111 Q CB -0.244 28.476 28.738 -0.030 0.000 0.902 1111 Q HN 0.423 nan 8.270 nan 0.000 0.421 1112 M N -0.575 119.019 119.600 -0.010 0.000 2.065 1112 M HA -0.192 4.290 4.480 0.003 0.000 0.259 1112 M C 2.222 178.549 176.300 0.045 0.000 1.069 1112 M CA 1.759 57.072 55.300 0.022 0.000 1.110 1112 M CB -0.550 32.071 32.600 0.036 0.000 1.328 1112 M HN 0.362 nan 8.290 nan 0.000 0.405 1113 A N 0.386 123.238 122.820 0.053 0.000 1.917 1113 A HA -0.159 4.163 4.320 0.003 0.000 0.219 1113 A C 2.362 180.064 177.584 0.196 0.000 1.182 1113 A CA 2.222 54.370 52.037 0.185 0.000 0.633 1113 A CB -1.126 17.962 19.000 0.146 0.000 0.819 1113 A HN 0.545 nan 8.150 nan 0.000 0.448 1114 A N -0.342 122.480 122.820 0.003 0.000 1.933 1114 A HA -0.171 4.151 4.320 0.003 0.000 0.218 1114 A C 1.916 179.459 177.584 -0.067 0.000 1.175 1114 A CA 1.680 53.646 52.037 -0.120 0.000 0.628 1114 A CB -0.495 18.250 19.000 -0.425 0.000 0.814 1114 A HN 0.672 nan 8.150 nan 0.000 0.444 1115 E N -0.402 119.735 120.200 -0.105 0.000 2.107 1115 E HA -0.055 4.297 4.350 0.003 0.000 0.191 1115 E C 1.830 178.347 176.600 -0.139 0.000 0.982 1115 E CA 0.953 57.175 56.400 -0.296 0.000 0.809 1115 E CB -0.222 29.352 29.700 -0.209 0.000 0.756 1115 E HN 0.694 nan 8.360 nan 0.000 0.459 1116 I N 1.267 121.851 120.570 0.023 0.000 2.252 1116 I HA -0.217 3.955 4.170 0.003 0.000 0.245 1116 I C 2.560 178.660 176.117 -0.028 0.000 1.102 1116 I CA 0.797 62.140 61.300 0.071 0.000 1.385 1116 I CB -0.278 37.861 38.000 0.233 0.000 1.064 1116 I HN 0.071 nan 8.210 nan 0.000 0.414 1117 A N 0.500 123.322 122.820 0.004 0.000 1.902 1117 A HA -0.299 4.023 4.320 0.003 0.000 0.217 1117 A C 1.965 179.524 177.584 -0.042 0.000 1.181 1117 A CA 2.359 54.319 52.037 -0.127 0.000 0.623 1117 A CB -0.746 18.223 19.000 -0.051 0.000 0.818 1117 A HN 0.429 nan 8.150 nan 0.000 0.443 1118 D N -0.851 119.604 120.400 0.092 0.000 2.087 1118 D HA -0.053 4.589 4.640 0.003 0.000 0.192 1118 D C 2.072 178.482 176.300 0.184 0.000 0.993 1118 D CA 1.914 56.065 54.000 0.252 0.000 0.828 1118 D CB -0.505 40.493 40.800 0.329 0.000 0.968 1118 D HN 0.290 nan 8.370 nan 0.000 0.448 1119 G N 0.293 109.156 108.800 0.106 0.000 2.491 1119 G HA2 -0.285 3.677 3.960 0.003 0.000 0.218 1119 G HA3 -0.285 3.677 3.960 0.003 0.000 0.218 1119 G C 1.552 176.405 174.900 -0.078 0.000 1.180 1119 G CA 1.186 46.319 45.100 0.055 0.000 0.774 1119 G HN 0.192 nan 8.290 nan 0.000 0.562 1120 M N 1.136 120.566 119.600 -0.283 0.000 2.149 1120 M HA -0.011 4.471 4.480 0.003 0.000 0.261 1120 M C 3.012 179.082 176.300 -0.383 0.000 1.064 1120 M CA 1.326 56.281 55.300 -0.574 0.000 1.102 1120 M CB -1.295 30.361 32.600 -1.574 0.000 1.369 1120 M HN 0.342 nan 8.290 nan 0.000 0.408 1121 A N -0.789 121.931 122.820 -0.166 0.000 1.902 1121 A HA -0.224 4.098 4.320 0.003 0.000 0.217 1121 A C 2.142 179.651 177.584 -0.125 0.000 1.181 1121 A CA 1.494 53.608 52.037 0.129 0.000 0.623 1121 A CB -1.171 18.065 19.000 0.394 0.000 0.818 1121 A HN 0.528 nan 8.150 nan 0.000 0.443 1122 Y N -0.040 119.951 120.300 -0.516 0.000 2.128 1122 Y HA -0.181 4.371 4.550 0.003 0.000 0.284 1122 Y C 1.994 177.528 175.900 -0.611 0.000 1.154 1122 Y CA 1.930 59.358 58.100 -1.120 0.000 1.149 1122 Y CB -0.418 37.544 38.460 -0.831 0.000 0.976 1122 Y HN 0.227 nan 8.280 nan 0.000 0.505 1123 L N 1.143 122.111 121.223 -0.425 0.000 2.042 1123 L HA -0.269 4.073 4.340 0.003 0.000 0.210 1123 L C 2.405 179.175 176.870 -0.167 0.000 1.076 1123 L CA 2.317 56.926 54.840 -0.384 0.000 0.749 1123 L CB -0.975 40.975 42.059 -0.182 0.000 0.893 1123 L HN 0.451 nan 8.230 nan 0.000 0.432 1124 N N -0.766 117.879 118.700 -0.092 0.000 2.188 1124 N HA -0.183 4.559 4.740 0.003 0.000 0.184 1124 N C 1.801 177.287 175.510 -0.041 0.000 1.018 1124 N CA 1.130 54.198 53.050 0.029 0.000 0.858 1124 N CB 0.071 38.652 38.487 0.156 0.000 0.989 1124 N HN 0.472 nan 8.380 nan 0.000 0.426 1125 A N 1.981 124.706 122.820 -0.158 0.000 1.877 1125 A HA -0.107 4.215 4.320 0.003 0.000 0.216 1125 A C 1.990 179.481 177.584 -0.155 0.000 1.186 1125 A CA 1.163 53.126 52.037 -0.123 0.000 0.620 1125 A CB -0.334 18.572 19.000 -0.156 0.000 0.822 1125 A HN 0.199 nan 8.150 nan 0.000 0.443 1126 K N -0.460 119.774 120.400 -0.276 0.000 2.519 1126 K HA -0.064 4.258 4.320 0.003 0.000 0.196 1126 K C -0.210 176.365 176.600 -0.042 0.000 1.041 1126 K CA 0.577 56.814 56.287 -0.082 0.000 0.954 1126 K CB -0.104 32.444 32.500 0.080 0.000 0.774 1126 K HN 0.388 nan 8.250 nan 0.000 0.480 1127 K N -0.344 120.008 120.400 -0.080 0.000 3.241 1127 K HA -0.135 4.187 4.320 0.003 0.000 0.270 1127 K C -1.045 175.354 176.600 -0.334 0.000 1.118 1127 K CA 0.528 56.712 56.287 -0.172 0.000 0.792 1127 K CB -2.071 30.292 32.500 -0.227 0.000 1.283 1127 K HN 0.078 nan 8.250 nan 0.000 0.480 1128 F N -0.969 119.000 119.950 0.031 0.000 2.556 1128 F HA 0.416 4.945 4.527 0.004 0.000 0.314 1128 F C 0.228 176.090 175.800 0.103 0.000 1.106 1128 F CA -0.973 57.073 58.000 0.077 0.000 0.911 1128 F CB 1.880 40.962 39.000 0.138 0.000 1.190 1128 F HN -0.153 nan 8.300 nan 0.000 0.448 1129 V N 4.616 124.720 119.914 0.318 0.000 2.394 1129 V HA 0.217 4.339 4.120 0.003 0.000 0.282 1129 V C 0.743 177.013 176.094 0.294 0.000 1.031 1129 V CA -0.079 62.391 62.300 0.284 0.000 0.881 1129 V CB 0.976 32.942 31.823 0.238 0.000 0.982 1129 V HN 0.918 nan 8.190 nan 0.000 0.451 1130 H N 6.161 125.359 119.070 0.213 0.000 2.333 1130 H HA 0.002 4.560 4.556 0.003 0.000 0.302 1130 H C 1.676 177.060 175.328 0.093 0.000 1.075 1130 H CA 2.165 58.318 56.048 0.174 0.000 1.348 1130 H CB 0.352 30.208 29.762 0.155 0.000 1.393 1130 H HN 0.846 nan 8.280 nan 0.000 0.509 1131 R N -0.767 119.940 120.500 0.345 0.000 3.884 1131 R HA -0.202 4.140 4.340 0.003 0.000 0.464 1131 R C -0.397 176.059 176.300 0.260 0.000 0.963 1131 R CA 1.383 57.603 56.100 0.201 0.000 1.408 1131 R CB -1.504 28.647 30.300 -0.248 0.000 2.054 1131 R HN 0.363 nan 8.270 nan 0.000 0.522 1132 D N 0.215 120.888 120.400 0.455 0.000 2.997 1132 D HA 0.174 4.816 4.640 0.003 0.000 0.362 1132 D C -1.351 174.998 176.300 0.081 0.000 1.298 1132 D CA -0.433 53.717 54.000 0.250 0.000 0.756 1132 D CB 0.460 41.338 40.800 0.130 0.000 1.216 1132 D HN 0.033 nan 8.370 nan 0.000 0.496 1133 L N 1.699 122.891 121.223 -0.051 0.000 2.278 1133 L HA 0.789 5.131 4.340 0.003 0.000 0.287 1133 L C -0.583 176.263 176.870 -0.040 0.000 1.072 1133 L CA 0.014 54.735 54.840 -0.198 0.000 0.819 1133 L CB 0.434 42.444 42.059 -0.082 0.000 1.176 1133 L HN 0.262 nan 8.230 nan 0.000 0.435 1134 A N 3.839 126.575 122.820 -0.139 0.000 2.599 1134 A HA 0.744 5.066 4.320 0.003 0.000 0.290 1134 A C 0.599 178.176 177.584 -0.011 0.000 1.101 1134 A CA -0.108 51.850 52.037 -0.133 0.000 0.674 1134 A CB 0.483 18.971 19.000 -0.853 0.000 1.277 1134 A HN 0.914 nan 8.150 nan 0.000 0.419 1135 A N 0.566 123.469 122.820 0.138 0.000 1.908 1135 A HA -0.178 4.144 4.320 0.003 0.000 0.218 1135 A C 1.988 179.595 177.584 0.038 0.000 1.181 1135 A CA 2.204 54.311 52.037 0.117 0.000 0.627 1135 A CB -0.759 18.356 19.000 0.193 0.000 0.818 1135 A HN 1.092 nan 8.150 nan 0.000 0.445 1136 R N -0.789 119.705 120.500 -0.009 0.000 2.159 1136 R HA -0.110 4.231 4.340 0.003 0.000 0.237 1136 R C 0.600 176.854 176.300 -0.076 0.000 1.131 1136 R CA 1.792 57.865 56.100 -0.045 0.000 0.982 1136 R CB -0.575 29.667 30.300 -0.097 0.000 0.868 1136 R HN 0.381 nan 8.270 nan 0.000 0.453 1137 N N -0.457 118.178 118.700 -0.107 0.000 2.270 1137 N HA 0.131 4.873 4.740 0.003 0.000 0.198 1137 N C -1.049 174.396 175.510 -0.109 0.000 1.117 1137 N CA -0.041 52.937 53.050 -0.120 0.000 0.845 1137 N CB 0.628 39.036 38.487 -0.131 0.000 0.980 1137 N HN 0.157 nan 8.380 nan 0.000 0.486 1138 C N 1.307 120.571 119.300 -0.060 0.000 2.382 1138 C HA 0.548 5.010 4.460 0.003 0.000 0.327 1138 C C -0.065 174.913 174.990 -0.021 0.000 1.250 1138 C CA -0.897 58.099 59.018 -0.037 0.000 1.707 1138 C CB 0.440 28.180 27.740 0.002 0.000 2.272 1138 C HN 0.231 nan 8.230 nan 0.000 0.506 1139 M N 2.716 122.299 119.600 -0.029 0.000 2.598 1139 M HA 0.595 5.077 4.480 0.003 0.000 0.317 1139 M C -0.557 175.714 176.300 -0.047 0.000 1.201 1139 M CA -0.667 54.613 55.300 -0.032 0.000 0.971 1139 M CB 1.370 33.945 32.600 -0.042 0.000 1.657 1139 M HN 0.281 nan 8.290 nan 0.000 0.470 1140 V N 1.246 121.115 119.914 -0.076 0.000 2.444 1140 V HA 0.681 4.803 4.120 0.003 0.000 0.294 1140 V C 0.239 176.244 176.094 -0.149 0.000 1.022 1140 V CA -1.077 61.136 62.300 -0.146 0.000 0.850 1140 V CB 1.324 32.953 31.823 -0.324 0.000 0.992 1140 V HN 1.030 nan 8.190 nan 0.000 0.426 1141 A N 2.625 125.333 122.820 -0.187 0.000 2.280 1141 A HA 0.458 4.780 4.320 0.003 0.000 0.268 1141 A C 1.196 178.584 177.584 -0.325 0.000 1.111 1141 A CA 0.543 52.426 52.037 -0.257 0.000 0.814 1141 A CB 0.014 18.815 19.000 -0.331 0.000 1.093 1141 A HN 1.259 nan 8.150 nan 0.000 0.498 1142 H N -0.605 118.315 119.070 -0.249 0.000 2.421 1142 H HA -0.104 4.454 4.556 0.003 0.000 0.298 1142 H C 0.940 176.037 175.328 -0.384 0.000 1.087 1142 H CA 1.698 57.545 56.048 -0.336 0.000 1.330 1142 H CB -0.084 29.537 29.762 -0.236 0.000 1.388 1142 H HN 0.618 nan 8.280 nan 0.000 0.526 1143 D N -0.451 119.476 120.400 -0.788 0.000 2.328 1143 D HA -0.110 4.532 4.640 0.003 0.000 0.221 1143 D C -0.052 176.187 176.300 -0.102 0.000 1.072 1143 D CA -0.331 53.486 54.000 -0.305 0.000 0.850 1143 D CB -0.577 40.053 40.800 -0.284 0.000 0.922 1143 D HN 0.457 nan 8.370 nan 0.000 0.516 1144 F N -0.798 119.089 119.950 -0.106 0.000 2.746 1144 F HA -0.217 4.312 4.527 0.003 0.000 0.315 1144 F C 0.363 176.091 175.800 -0.119 0.000 0.666 1144 F CA 0.626 58.540 58.000 -0.144 0.000 1.381 1144 F CB -2.647 36.288 39.000 -0.109 0.000 1.739 1144 F HN -0.108 nan 8.300 nan 0.000 0.322 1145 T N 1.752 116.293 114.554 -0.021 0.000 2.851 1145 T HA 0.515 4.867 4.350 0.003 0.000 0.298 1145 T C 0.497 175.195 174.700 -0.003 0.000 0.977 1145 T CA -0.292 61.823 62.100 0.026 0.000 1.126 1145 T CB 1.426 70.294 68.868 -0.000 0.000 0.916 1145 T HN 0.022 nan 8.240 nan 0.000 0.529 1146 V N 4.966 124.910 119.914 0.049 0.000 2.567 1146 V HA 0.475 4.597 4.120 0.003 0.000 0.289 1146 V C 0.206 176.335 176.094 0.059 0.000 1.049 1146 V CA -0.501 61.816 62.300 0.028 0.000 0.969 1146 V CB 1.276 33.122 31.823 0.038 0.000 0.995 1146 V HN 0.771 nan 8.190 nan 0.000 0.471 1147 K N 3.883 124.297 120.400 0.023 0.000 2.477 1147 K HA 0.591 4.913 4.320 0.003 0.000 0.255 1147 K C -1.377 175.236 176.600 0.022 0.000 0.952 1147 K CA -0.952 55.358 56.287 0.039 0.000 0.826 1147 K CB 2.400 34.893 32.500 -0.010 0.000 1.331 1147 K HN 0.335 nan 8.250 nan 0.000 0.437 1148 I N 1.817 122.416 120.570 0.048 0.000 2.575 1148 I HA 0.267 4.439 4.170 0.003 0.000 0.285 1148 I C 0.915 177.015 176.117 -0.027 0.000 1.085 1148 I CA 0.355 61.660 61.300 0.008 0.000 1.403 1148 I CB 0.326 38.376 38.000 0.082 0.000 1.409 1148 I HN 0.857 nan 8.210 nan 0.000 0.557 1149 G N 3.096 111.730 108.800 -0.277 0.000 3.135 1149 G HA2 0.348 4.309 3.960 0.003 0.000 0.278 1149 G HA3 0.348 4.309 3.960 0.003 0.000 0.278 1149 G C -0.832 173.578 174.900 -0.816 0.000 1.302 1149 G CA -0.427 44.401 45.100 -0.454 0.000 0.880 1149 G HN 0.602 nan 8.290 nan 0.000 0.574 1150 D N -1.114 118.974 120.400 -0.520 0.000 3.359 1150 D HA -0.177 4.465 4.640 0.003 0.000 0.212 1150 D C -0.481 175.447 176.300 -0.620 0.000 1.160 1150 D CA 0.448 54.211 54.000 -0.395 0.000 1.008 1150 D CB -0.778 39.888 40.800 -0.223 0.000 0.809 1150 D HN 0.226 nan 8.370 nan 0.000 0.387 1151 F N 1.031 120.884 119.950 -0.162 0.000 2.837 1151 F HA 0.367 4.896 4.527 0.004 0.000 0.298 1151 F C 2.082 177.741 175.800 -0.236 0.000 1.161 1151 F CA -0.043 57.789 58.000 -0.280 0.000 1.353 1151 F CB 0.660 39.544 39.000 -0.195 0.000 0.951 1151 F HN 0.335 nan 8.300 nan 0.000 0.508 1152 G N 0.111 108.857 108.800 -0.090 0.000 2.408 1152 G HA2 -0.181 3.781 3.960 0.003 0.000 0.217 1152 G HA3 -0.181 3.781 3.960 0.003 0.000 0.217 1152 G C 1.485 176.354 174.900 -0.051 0.000 1.150 1152 G CA 0.425 45.503 45.100 -0.037 0.000 0.776 1152 G HN 0.323 nan 8.290 nan 0.000 0.542 1153 M N 0.970 120.508 119.600 -0.104 0.000 2.495 1153 M HA 0.117 4.599 4.480 0.003 0.000 0.237 1153 M C 0.634 176.865 176.300 -0.114 0.000 1.131 1153 M CA 0.009 55.244 55.300 -0.109 0.000 1.032 1153 M CB 0.254 32.788 32.600 -0.109 0.000 1.513 1153 M HN -0.083 nan 8.290 nan 0.000 0.488 1154 T N 2.548 117.038 114.554 -0.108 0.000 2.939 1154 T HA 0.104 4.456 4.350 0.003 0.000 0.319 1154 T C 0.326 175.076 174.700 0.084 0.000 1.082 1154 T CA 0.431 62.529 62.100 -0.004 0.000 1.133 1154 T CB 0.370 69.252 68.868 0.024 0.000 1.019 1154 T HN 0.231 nan 8.240 nan 0.000 0.548 1155 R N 1.893 122.519 120.500 0.210 0.000 2.626 1155 R HA 0.268 4.610 4.340 0.003 0.000 0.274 1155 R C -1.130 175.348 176.300 0.296 0.000 1.031 1155 R CA -0.879 55.348 56.100 0.212 0.000 0.898 1155 R CB 1.585 31.927 30.300 0.070 0.000 1.222 1155 R HN 0.632 nan 8.270 nan 0.000 0.455 1156 D N 3.380 123.864 120.400 0.140 0.000 2.348 1156 D HA 0.286 4.928 4.640 0.003 0.000 0.253 1156 D C 0.164 176.367 176.300 -0.161 0.000 1.161 1156 D CA -0.069 53.762 54.000 -0.282 0.000 0.876 1156 D CB 0.628 41.265 40.800 -0.272 0.000 1.160 1156 D HN 0.468 nan 8.370 nan 0.000 0.459 1160 T N -1.161 113.381 114.554 -0.021 0.000 3.003 1160 T HA 0.220 4.572 4.350 0.003 0.000 0.261 1160 T C 0.292 174.993 174.700 0.003 0.000 1.003 1160 T CA 0.426 62.523 62.100 -0.005 0.000 0.917 1160 T CB 1.083 69.953 68.868 0.002 0.000 1.084 1160 T HN -0.049 nan 8.240 nan 0.000 0.522 1165 K N 2.082 122.612 120.400 0.216 0.000 2.436 1165 K HA 0.164 4.486 4.320 0.003 0.000 0.275 1165 K C 0.647 177.304 176.600 0.095 0.000 0.999 1165 K CA 0.954 57.337 56.287 0.161 0.000 0.980 1165 K CB 0.807 33.446 32.500 0.231 0.000 0.919 1165 K HN 0.689 nan 8.250 nan 0.000 0.484 1166 G N 3.075 111.914 108.800 0.065 0.000 2.583 1166 G HA2 0.090 4.052 3.960 0.003 0.000 0.215 1166 G HA3 0.090 4.052 3.960 0.003 0.000 0.215 1166 G C 0.614 175.537 174.900 0.039 0.000 1.481 1166 G CA 0.357 45.483 45.100 0.043 0.000 0.948 1166 G HN 0.771 nan 8.290 nan 0.000 0.511 1167 G N -0.329 108.490 108.800 0.032 0.000 2.481 1167 G HA2 0.463 4.425 3.960 0.003 0.000 0.251 1167 G HA3 0.463 4.425 3.960 0.003 0.000 0.251 1167 G C 0.351 175.270 174.900 0.033 0.000 1.492 1167 G CA 0.635 45.751 45.100 0.027 0.000 1.060 1167 G HN 0.736 nan 8.290 nan 0.000 0.553 1168 K N -1.406 119.009 120.400 0.026 0.000 2.126 1168 K HA 0.680 5.002 4.320 0.003 0.000 0.257 1168 K C 0.255 176.875 176.600 0.032 0.000 1.007 1168 K CA -0.007 56.297 56.287 0.029 0.000 0.928 1168 K CB 0.863 33.376 32.500 0.021 0.000 1.013 1168 K HN 1.995 nan 8.250 nan 0.000 0.473 1169 G N -0.177 108.647 108.800 0.039 0.000 2.556 1169 G HA2 0.433 4.395 3.960 0.003 0.000 0.294 1169 G HA3 0.433 4.395 3.960 0.003 0.000 0.294 1169 G C -1.200 173.729 174.900 0.049 0.000 1.516 1169 G CA -0.946 44.178 45.100 0.039 0.000 0.824 1169 G HN 0.614 nan 8.290 nan 0.000 0.535 1170 L N 1.411 122.660 121.223 0.043 0.000 2.530 1170 L HA 0.303 4.644 4.340 0.003 0.000 0.273 1170 L C -0.067 176.843 176.870 0.066 0.000 1.141 1170 L CA 0.102 54.974 54.840 0.052 0.000 0.905 1170 L CB 0.004 42.091 42.059 0.047 0.000 1.202 1170 L HN 0.249 nan 8.230 nan 0.000 0.473 1171 L N 6.219 127.496 121.223 0.089 0.000 2.346 1171 L HA 0.477 4.819 4.340 0.003 0.000 0.274 1171 L C -1.850 175.106 176.870 0.144 0.000 1.007 1171 L CA -1.745 53.170 54.840 0.125 0.000 0.818 1171 L CB 1.863 44.024 42.059 0.169 0.000 1.284 1171 L HN 0.402 nan 8.230 nan 0.000 0.424 1172 P HA 0.076 nan 4.420 nan 0.000 0.230 1172 P C 1.091 178.616 177.300 0.375 0.000 1.791 1172 P CA -0.203 63.040 63.100 0.239 0.000 1.020 1172 P CB 0.460 32.239 31.700 0.131 0.000 1.977 1173 V N 2.794 122.862 119.914 0.257 0.000 2.242 1173 V HA -0.332 3.790 4.120 0.003 0.000 0.257 1173 V C 2.481 178.675 176.094 0.166 0.000 1.073 1173 V CA 2.133 64.531 62.300 0.164 0.000 1.058 1173 V CB -1.037 30.831 31.823 0.074 0.000 0.664 1173 V HN 0.444 nan 8.190 nan 0.000 0.451 1174 R N -1.428 119.205 120.500 0.222 0.000 2.397 1174 R HA -0.148 4.194 4.340 0.003 0.000 0.213 1174 R C 1.550 177.790 176.300 -0.101 0.000 1.102 1174 R CA 1.186 57.263 56.100 -0.037 0.000 1.040 1174 R CB -0.199 29.907 30.300 -0.323 0.000 0.844 1174 R HN 0.651 nan 8.270 nan 0.000 0.478 1175 W N -0.750 120.670 121.300 0.200 0.000 2.714 1175 W HA 0.284 4.946 4.660 0.003 0.000 0.353 1175 W C 0.043 176.736 176.519 0.290 0.000 0.999 1175 W CA -0.558 56.958 57.345 0.285 0.000 1.629 1175 W CB 0.339 29.942 29.460 0.238 0.000 1.106 1175 W HN -0.017 nan 8.180 nan 0.000 0.545 1176 M N 0.645 120.414 119.600 0.281 0.000 2.274 1176 M HA 0.421 4.903 4.480 0.003 0.000 0.344 1176 M C 0.684 176.669 176.300 -0.525 0.000 1.161 1176 M CA -0.104 55.206 55.300 0.016 0.000 1.126 1176 M CB 1.199 33.801 32.600 0.002 0.000 1.522 1176 M HN -0.239 nan 8.290 nan 0.000 0.461 1177 A N 3.786 126.205 122.820 -0.669 0.000 2.332 1177 A HA 0.383 4.705 4.320 0.003 0.000 0.258 1177 A C -1.689 175.341 177.584 -0.924 0.000 1.087 1177 A CA -1.316 50.005 52.037 -1.194 0.000 0.802 1177 A CB -0.377 18.279 19.000 -0.574 0.000 1.042 1177 A HN 0.655 nan 8.150 nan 0.000 0.489 1178 P HA -0.212 nan 4.420 nan 0.000 0.215 1178 P C 1.078 178.067 177.300 -0.519 0.000 1.153 1178 P CA 1.691 64.375 63.100 -0.693 0.000 0.853 1178 P CB 0.017 31.230 31.700 -0.811 0.000 0.788 1179 E N 0.438 120.320 120.200 -0.531 0.000 2.150 1179 E HA -0.101 4.251 4.350 0.003 0.000 0.193 1179 E C 1.846 178.227 176.600 -0.365 0.000 0.985 1179 E CA 1.253 57.429 56.400 -0.374 0.000 0.814 1179 E CB -1.232 28.280 29.700 -0.312 0.000 0.752 1179 E HN 0.147 nan 8.360 nan 0.000 0.466 1180 S N 1.135 116.555 115.700 -0.466 0.000 2.383 1180 S HA 0.012 4.484 4.470 0.003 0.000 0.227 1180 S C 2.143 176.486 174.600 -0.429 0.000 1.026 1180 S CA 0.929 58.761 58.200 -0.613 0.000 0.981 1180 S CB -0.218 62.490 63.200 -0.821 0.000 0.818 1180 S HN 0.210 nan 8.310 nan 0.000 0.472 1181 L N 1.095 122.115 121.223 -0.339 0.000 2.072 1181 L HA -0.046 4.296 4.340 0.003 0.000 0.205 1181 L C 2.581 179.350 176.870 -0.168 0.000 1.079 1181 L CA 1.176 55.885 54.840 -0.219 0.000 0.752 1181 L CB -0.397 41.531 42.059 -0.219 0.000 0.906 1181 L HN 0.230 nan 8.230 nan 0.000 0.436 1182 K N 0.128 120.418 120.400 -0.184 0.000 1.984 1182 K HA -0.153 4.169 4.320 0.003 0.000 0.209 1182 K C 1.006 177.543 176.600 -0.106 0.000 1.046 1182 K CA 1.761 57.974 56.287 -0.124 0.000 0.934 1182 K CB 0.099 32.533 32.500 -0.111 0.000 0.717 1182 K HN 0.262 nan 8.250 nan 0.000 0.438 1183 D N -1.234 119.087 120.400 -0.132 0.000 2.369 1183 D HA 0.105 4.747 4.640 0.003 0.000 0.211 1183 D C 0.621 176.860 176.300 -0.101 0.000 1.077 1183 D CA 0.665 54.606 54.000 -0.098 0.000 0.842 1183 D CB 0.892 41.639 40.800 -0.088 0.000 0.947 1183 D HN 0.546 nan 8.370 nan 0.000 0.509 1184 G N 1.159 109.866 108.800 -0.155 0.000 2.179 1184 G HA2 -0.280 3.682 3.960 0.003 0.000 0.257 1184 G HA3 -0.280 3.682 3.960 0.003 0.000 0.257 1184 G C 0.314 175.112 174.900 -0.169 0.000 1.010 1184 G CA 0.196 45.219 45.100 -0.128 0.000 0.736 1184 G HN 0.300 nan 8.290 nan 0.000 0.513 1185 V N 0.130 119.862 119.914 -0.304 0.000 2.509 1185 V HA 0.728 4.850 4.120 0.003 0.000 0.284 1185 V C 0.019 175.853 176.094 -0.433 0.000 1.047 1185 V CA -0.350 61.824 62.300 -0.210 0.000 0.952 1185 V CB 1.224 32.968 31.823 -0.133 0.000 0.988 1185 V HN 0.222 nan 8.190 nan 0.000 0.469 1186 F N 2.814 122.775 119.950 0.019 0.000 2.493 1186 F HA 0.664 5.193 4.527 0.003 0.000 0.329 1186 F C 0.507 176.343 175.800 0.059 0.000 1.126 1186 F CA -0.426 57.603 58.000 0.047 0.000 0.937 1186 F CB 2.201 41.244 39.000 0.072 0.000 1.146 1186 F HN 0.596 nan 8.300 nan 0.000 0.442 1187 T N -2.567 112.117 114.554 0.216 0.000 2.742 1187 T HA 0.233 4.585 4.350 0.003 0.000 0.282 1187 T C 0.638 175.459 174.700 0.201 0.000 1.025 1187 T CA -0.400 61.798 62.100 0.164 0.000 1.020 1187 T CB 1.507 70.428 68.868 0.088 0.000 1.317 1187 T HN 0.435 nan 8.240 nan 0.000 0.538 1188 T N -0.249 114.407 114.554 0.170 0.000 3.072 1188 T HA 0.019 4.371 4.350 0.003 0.000 0.266 1188 T C 1.719 176.507 174.700 0.147 0.000 1.127 1188 T CA 1.480 63.707 62.100 0.211 0.000 1.107 1188 T CB -0.929 68.052 68.868 0.189 0.000 0.910 1188 T HN 0.541 nan 8.240 nan 0.000 0.513 1189 S N 1.025 116.786 115.700 0.103 0.000 2.395 1189 S HA -0.061 4.411 4.470 0.003 0.000 0.225 1189 S C 2.383 177.075 174.600 0.153 0.000 1.027 1189 S CA 1.230 59.474 58.200 0.075 0.000 0.965 1189 S CB -0.287 62.944 63.200 0.051 0.000 0.812 1189 S HN 0.805 nan 8.310 nan 0.000 0.482 1190 S N 1.899 117.700 115.700 0.168 0.000 2.406 1190 S HA -0.091 4.381 4.470 0.003 0.000 0.228 1190 S C 1.352 176.165 174.600 0.355 0.000 1.020 1190 S CA 0.954 59.277 58.200 0.205 0.000 0.965 1190 S CB -0.448 62.810 63.200 0.098 0.000 0.798 1190 S HN 0.233 nan 8.310 nan 0.000 0.488 1191 D N 1.087 121.706 120.400 0.364 0.000 2.178 1191 D HA -0.018 4.624 4.640 0.003 0.000 0.201 1191 D C 1.717 178.323 176.300 0.511 0.000 0.980 1191 D CA 0.966 55.243 54.000 0.462 0.000 0.842 1191 D CB -0.343 40.766 40.800 0.515 0.000 0.948 1191 D HN 0.383 nan 8.370 nan 0.000 0.472 1192 M N -0.315 119.448 119.600 0.271 0.000 2.175 1192 M HA -0.097 4.385 4.480 0.003 0.000 0.264 1192 M C 1.770 178.276 176.300 0.344 0.000 1.063 1192 M CA 1.109 56.456 55.300 0.079 0.000 1.119 1192 M CB -0.575 31.917 32.600 -0.180 0.000 1.377 1192 M HN 0.210 nan 8.290 nan 0.000 0.415 1193 W N 0.235 121.681 121.300 0.243 0.000 2.358 1193 W HA -0.156 4.506 4.660 0.003 0.000 0.303 1193 W C 1.892 178.688 176.519 0.461 0.000 1.208 1193 W CA 1.893 59.454 57.345 0.361 0.000 1.274 1193 W CB -0.965 28.655 29.460 0.267 0.000 1.138 1193 W HN 0.239 nan 8.180 nan 0.000 0.515 1194 S N 0.749 116.897 115.700 0.747 0.000 2.382 1194 S HA -0.212 4.260 4.470 0.003 0.000 0.228 1194 S C 1.542 176.476 174.600 0.556 0.000 1.027 1194 S CA 1.501 60.107 58.200 0.676 0.000 0.991 1194 S CB -0.976 62.571 63.200 0.578 0.000 0.823 1194 S HN 0.325 nan 8.310 nan 0.000 0.469 1195 F N 2.677 122.852 119.950 0.374 0.000 2.095 1195 F HA -0.094 4.435 4.527 0.004 0.000 0.298 1195 F C 2.298 178.213 175.800 0.192 0.000 1.104 1195 F CA 1.463 59.642 58.000 0.298 0.000 1.232 1195 F CB -1.118 38.103 39.000 0.368 0.000 0.987 1195 F HN 0.211 nan 8.300 nan 0.000 0.475 1196 G N 0.068 108.914 108.800 0.076 0.000 2.476 1196 G HA2 -0.259 3.703 3.960 0.003 0.000 0.218 1196 G HA3 -0.259 3.703 3.960 0.003 0.000 0.218 1196 G C 1.736 176.702 174.900 0.109 0.000 1.164 1196 G CA 1.439 46.379 45.100 -0.267 0.000 0.768 1196 G HN 0.374 nan 8.290 nan 0.000 0.560 1197 V N 0.468 120.638 119.914 0.427 0.000 2.490 1197 V HA -0.152 3.970 4.120 0.003 0.000 0.250 1197 V C 2.985 179.283 176.094 0.340 0.000 1.061 1197 V CA 1.364 63.888 62.300 0.373 0.000 1.064 1197 V CB -0.251 31.663 31.823 0.150 0.000 0.670 1197 V HN 0.259 nan 8.190 nan 0.000 0.461 1198 V N -0.247 119.822 119.914 0.258 0.000 2.427 1198 V HA -0.207 3.915 4.120 0.003 0.000 0.248 1198 V C 2.279 178.391 176.094 0.030 0.000 1.051 1198 V CA 1.637 64.049 62.300 0.186 0.000 1.048 1198 V CB -0.467 31.419 31.823 0.105 0.000 0.666 1198 V HN 0.448 nan 8.190 nan 0.000 0.456 1199 L N -1.498 119.625 121.223 -0.166 0.000 2.046 1199 L HA -0.221 4.121 4.340 0.003 0.000 0.208 1199 L C 2.315 179.183 176.870 -0.003 0.000 1.077 1199 L CA 2.251 56.966 54.840 -0.208 0.000 0.747 1199 L CB -0.548 41.290 42.059 -0.368 0.000 0.896 1199 L HN 0.515 nan 8.230 nan 0.000 0.432 1200 W N 1.346 122.609 121.300 -0.062 0.000 2.358 1200 W HA -0.196 4.466 4.660 0.003 0.000 0.303 1200 W C 2.450 178.970 176.519 0.002 0.000 1.208 1200 W CA 1.571 58.924 57.345 0.014 0.000 1.274 1200 W CB 0.049 29.597 29.460 0.146 0.000 1.138 1200 W HN 0.078 nan 8.180 nan 0.000 0.515 1201 E N 0.166 120.641 120.200 0.458 0.000 2.085 1201 E HA -0.267 4.085 4.350 0.003 0.000 0.194 1201 E C 2.062 178.685 176.600 0.039 0.000 0.994 1201 E CA 1.947 58.534 56.400 0.312 0.000 0.801 1201 E CB -0.459 29.472 29.700 0.386 0.000 0.743 1201 E HN 0.383 nan 8.360 nan 0.000 0.453 1202 I N 0.862 121.445 120.570 0.022 0.000 2.179 1202 I HA -0.251 3.921 4.170 0.003 0.000 0.242 1202 I C 2.592 178.640 176.117 -0.115 0.000 1.088 1202 I CA 1.601 62.880 61.300 -0.035 0.000 1.357 1202 I CB -0.463 37.514 38.000 -0.038 0.000 1.051 1202 I HN 0.201 nan 8.210 nan 0.000 0.409 1203 T N -2.774 111.671 114.554 -0.181 0.000 3.160 1203 T HA 0.023 4.375 4.350 0.003 0.000 0.257 1203 T C 1.188 175.692 174.700 -0.327 0.000 1.147 1203 T CA 0.735 62.696 62.100 -0.231 0.000 1.064 1203 T CB -0.314 68.415 68.868 -0.231 0.000 0.949 1203 T HN 0.411 nan 8.240 nan 0.000 0.526 1204 S N 0.528 115.987 115.700 -0.401 0.000 2.819 1204 S HA 0.395 4.867 4.470 0.003 0.000 0.249 1204 S C 0.653 175.101 174.600 -0.254 0.000 1.030 1204 S CA -0.638 57.297 58.200 -0.441 0.000 1.052 1204 S CB -0.558 62.128 63.200 -0.857 0.000 1.017 1204 S HN 0.446 nan 8.310 nan 0.000 0.576 1205 L N 0.714 121.833 121.223 -0.173 0.000 3.717 1205 L HA -0.297 4.045 4.340 0.003 0.000 0.414 1205 L C 0.877 177.718 176.870 -0.048 0.000 1.228 1205 L CA 0.179 54.958 54.840 -0.102 0.000 0.918 1205 L CB -2.408 39.589 42.059 -0.105 0.000 1.865 1205 L HN 0.925 nan 8.230 nan 0.000 0.922 1206 A N -1.519 121.292 122.820 -0.015 0.000 2.914 1206 A HA -0.170 4.152 4.320 0.003 0.000 0.280 1206 A C 0.863 178.520 177.584 0.122 0.000 1.447 1206 A CA 1.574 53.667 52.037 0.094 0.000 0.759 1206 A CB -1.168 17.895 19.000 0.105 0.000 1.034 1206 A HN 0.652 nan 8.150 nan 0.000 0.529 1207 E N -0.583 119.664 120.200 0.078 0.000 2.421 1207 E HA 0.298 4.650 4.350 0.003 0.000 0.253 1207 E C 0.440 177.234 176.600 0.324 0.000 1.277 1207 E CA -0.481 56.004 56.400 0.140 0.000 0.968 1207 E CB 0.292 30.025 29.700 0.055 0.000 1.040 1207 E HN 0.551 nan 8.360 nan 0.000 0.512 1208 Q N 1.289 121.247 119.800 0.263 0.000 2.295 1208 Q HA 0.179 4.521 4.340 0.003 0.000 0.259 1208 Q C -2.492 173.573 176.000 0.109 0.000 0.976 1208 Q CA -1.735 54.189 55.803 0.202 0.000 0.923 1208 Q CB 0.888 29.707 28.738 0.135 0.000 1.185 1208 Q HN 0.003 nan 8.270 nan 0.000 0.410 1209 P HA 0.000 nan 4.420 nan 0.000 0.268 1209 P C -1.183 175.855 177.300 -0.437 0.000 1.205 1209 P CA 0.197 62.779 63.100 -0.863 0.000 0.771 1209 P CB 0.221 31.283 31.700 -1.064 0.000 0.858 1210 Y N -0.765 119.291 120.300 -0.406 0.000 3.491 1210 Y HA -0.240 4.312 4.550 0.003 0.000 0.215 1210 Y C 0.812 176.625 175.900 -0.145 0.000 1.219 1210 Y CA 0.163 58.112 58.100 -0.253 0.000 1.485 1210 Y CB -2.746 35.567 38.460 -0.245 0.000 1.450 1210 Y HN 0.352 nan 8.280 nan 0.000 0.603 1211 Q N 1.734 121.532 119.800 -0.004 0.000 2.264 1211 Q HA 0.360 4.702 4.340 0.003 0.000 0.296 1211 Q C 1.213 177.223 176.000 0.016 0.000 1.103 1211 Q CA 1.525 57.349 55.803 0.035 0.000 0.967 1211 Q CB 0.254 29.033 28.738 0.069 0.000 1.090 1211 Q HN 0.858 nan 8.270 nan 0.000 0.379 1212 G N 3.196 112.005 108.800 0.014 0.000 2.184 1212 G HA2 -0.165 3.797 3.960 0.003 0.000 0.206 1212 G HA3 -0.165 3.797 3.960 0.003 0.000 0.206 1212 G C -0.408 174.480 174.900 -0.021 0.000 0.995 1212 G CA -0.073 45.024 45.100 -0.005 0.000 0.651 1212 G HN 0.530 nan 8.290 nan 0.000 0.511 1213 L N 2.181 123.393 121.223 -0.017 0.000 2.362 1213 L HA 0.624 4.966 4.340 0.003 0.000 0.275 1213 L C 0.963 177.818 176.870 -0.026 0.000 0.998 1213 L CA -0.624 54.191 54.840 -0.042 0.000 0.820 1213 L CB 2.053 44.062 42.059 -0.084 0.000 1.270 1213 L HN 0.349 nan 8.230 nan 0.000 0.415 1214 S N 1.057 116.740 115.700 -0.027 0.000 2.593 1214 S HA 0.131 4.603 4.470 0.003 0.000 0.269 1214 S C 0.930 175.513 174.600 -0.028 0.000 1.334 1214 S CA -0.685 57.507 58.200 -0.014 0.000 1.015 1214 S CB 0.820 64.014 63.200 -0.010 0.000 0.912 1214 S HN 0.631 nan 8.310 nan 0.000 0.541 1215 N N 1.838 120.534 118.700 -0.008 0.000 2.132 1215 N HA -0.181 4.561 4.740 0.003 0.000 0.191 1215 N C 1.534 177.022 175.510 -0.036 0.000 1.015 1215 N CA 1.929 54.970 53.050 -0.015 0.000 0.864 1215 N CB -0.447 38.054 38.487 0.023 0.000 1.006 1215 N HN 0.782 nan 8.380 nan 0.000 0.430 1216 E N 0.838 121.024 120.200 -0.024 0.000 2.106 1216 E HA -0.149 4.203 4.350 0.003 0.000 0.192 1216 E C 1.965 178.543 176.600 -0.037 0.000 0.984 1216 E CA 0.706 57.091 56.400 -0.025 0.000 0.806 1216 E CB -0.090 29.601 29.700 -0.014 0.000 0.750 1216 E HN 0.493 nan 8.360 nan 0.000 0.458 1217 Q N 0.374 120.147 119.800 -0.046 0.000 2.046 1217 Q HA -0.122 4.220 4.340 0.003 0.000 0.200 1217 Q C 2.428 178.388 176.000 -0.065 0.000 0.975 1217 Q CA 1.241 57.013 55.803 -0.052 0.000 0.836 1217 Q CB 0.018 28.715 28.738 -0.067 0.000 0.896 1217 Q HN 0.127 nan 8.270 nan 0.000 0.428 1218 V N 1.270 121.100 119.914 -0.141 0.000 2.287 1218 V HA -0.277 3.845 4.120 0.003 0.000 0.248 1218 V C 2.244 178.231 176.094 -0.178 0.000 1.053 1218 V CA 1.633 63.769 62.300 -0.274 0.000 1.027 1218 V CB -0.694 30.832 31.823 -0.495 0.000 0.646 1218 V HN 0.347 nan 8.190 nan 0.000 0.447 1219 L N 0.750 121.891 121.223 -0.136 0.000 1.997 1219 L HA -0.244 4.098 4.340 0.003 0.000 0.216 1219 L C 2.406 179.231 176.870 -0.075 0.000 1.074 1219 L CA 2.629 57.405 54.840 -0.107 0.000 0.763 1219 L CB -0.804 41.213 42.059 -0.069 0.000 0.890 1219 L HN 0.308 nan 8.230 nan 0.000 0.434 1220 K N -0.872 119.508 120.400 -0.033 0.000 2.057 1220 K HA -0.216 4.106 4.320 0.003 0.000 0.206 1220 K C 2.044 178.661 176.600 0.028 0.000 1.050 1220 K CA 1.874 58.158 56.287 -0.004 0.000 0.935 1220 K CB -0.930 31.576 32.500 0.011 0.000 0.715 1220 K HN 0.359 nan 8.250 nan 0.000 0.439 1221 F N 0.387 120.267 119.950 -0.115 0.000 2.095 1221 F HA -0.149 4.380 4.527 0.004 0.000 0.298 1221 F C 1.820 177.574 175.800 -0.076 0.000 1.104 1221 F CA 1.391 59.328 58.000 -0.105 0.000 1.232 1221 F CB -0.580 38.335 39.000 -0.141 0.000 0.987 1221 F HN -0.117 nan 8.300 nan 0.000 0.475 1222 V N 0.666 120.435 119.914 -0.242 0.000 2.270 1222 V HA -0.343 3.779 4.120 0.003 0.000 0.245 1222 V C 2.489 178.495 176.094 -0.146 0.000 1.043 1222 V CA 2.290 64.427 62.300 -0.271 0.000 1.014 1222 V CB -0.563 31.121 31.823 -0.232 0.000 0.645 1222 V HN 0.363 nan 8.190 nan 0.000 0.447 1223 M N -0.508 119.028 119.600 -0.108 0.000 2.435 1223 M HA -0.185 4.297 4.480 0.003 0.000 0.262 1223 M C 1.202 177.549 176.300 0.079 0.000 1.065 1223 M CA 1.362 56.661 55.300 -0.002 0.000 1.076 1223 M CB -0.382 32.195 32.600 -0.039 0.000 1.403 1223 M HN 0.317 nan 8.290 nan 0.000 0.454 1224 D N -0.573 119.799 120.400 -0.047 0.000 2.328 1224 D HA 0.143 4.785 4.640 0.003 0.000 0.221 1224 D C 1.307 177.503 176.300 -0.173 0.000 1.072 1224 D CA 0.729 54.671 54.000 -0.097 0.000 0.850 1224 D CB 0.478 41.222 40.800 -0.094 0.000 0.922 1224 D HN 0.524 nan 8.370 nan 0.000 0.516 1225 G N 0.390 109.145 108.800 -0.075 0.000 2.176 1225 G HA2 -0.185 3.777 3.960 0.003 0.000 0.232 1225 G HA3 -0.185 3.777 3.960 0.003 0.000 0.232 1225 G C 0.771 175.585 174.900 -0.142 0.000 0.986 1225 G CA -0.118 44.957 45.100 -0.040 0.000 0.643 1225 G HN 0.538 nan 8.290 nan 0.000 0.522 1226 G N -0.377 108.062 108.800 -0.601 0.000 2.634 1226 G HA2 0.757 4.719 3.960 0.003 0.000 0.255 1226 G HA3 0.757 4.719 3.960 0.003 0.000 0.255 1226 G C -0.291 174.308 174.900 -0.501 0.000 1.205 1226 G CA 0.317 44.660 45.100 -1.263 0.000 0.884 1226 G HN 1.663 nan 8.290 nan 0.000 0.549 1227 Y N -2.451 117.765 120.300 -0.141 0.000 2.779 1227 Y HA 0.551 5.103 4.550 0.003 0.000 0.340 1227 Y C -0.756 175.105 175.900 -0.066 0.000 1.252 1227 Y CA -1.741 56.306 58.100 -0.089 0.000 1.072 1227 Y CB 0.376 38.685 38.460 -0.252 0.000 1.343 1227 Y HN 0.514 nan 8.280 nan 0.000 0.450 1228 L N 2.511 123.529 121.223 -0.341 0.000 2.452 1228 L HA 0.277 4.619 4.340 0.003 0.000 0.267 1228 L C 0.077 177.073 176.870 0.210 0.000 1.188 1228 L CA -0.223 54.404 54.840 -0.356 0.000 0.821 1228 L CB 0.150 41.597 42.059 -1.019 0.000 1.102 1228 L HN 0.584 nan 8.230 nan 0.000 0.470 1229 D N 0.258 120.810 120.400 0.253 0.000 2.411 1229 D HA 0.141 4.783 4.640 0.003 0.000 0.251 1229 D C -0.224 176.339 176.300 0.439 0.000 1.201 1229 D CA -0.366 53.829 54.000 0.324 0.000 0.996 1229 D CB 0.673 41.599 40.800 0.211 0.000 1.101 1229 D HN 0.313 nan 8.370 nan 0.000 0.504 1230 Q N 0.824 120.791 119.800 0.278 0.000 2.279 1230 Q HA 0.352 4.694 4.340 0.003 0.000 0.256 1230 Q C -2.122 173.910 176.000 0.052 0.000 0.937 1230 Q CA -1.760 54.150 55.803 0.177 0.000 0.933 1230 Q CB 0.245 29.041 28.738 0.096 0.000 1.189 1230 Q HN 0.054 nan 8.270 nan 0.000 0.417 1231 P HA -0.064 nan 4.420 nan 0.000 0.269 1231 P C -0.531 176.690 177.300 -0.131 0.000 1.217 1231 P CA -0.052 62.906 63.100 -0.237 0.000 0.783 1231 P CB 0.537 31.930 31.700 -0.511 0.000 0.898 1232 D N 1.827 122.159 120.400 -0.114 0.000 2.583 1232 D HA -0.083 4.559 4.640 0.003 0.000 0.232 1232 D C 0.436 176.687 176.300 -0.082 0.000 1.128 1232 D CA 0.854 54.807 54.000 -0.077 0.000 0.859 1232 D CB -0.511 40.247 40.800 -0.070 0.000 1.169 1232 D HN 0.396 nan 8.370 nan 0.000 0.481 1233 N N -0.392 118.273 118.700 -0.058 0.000 2.710 1233 N HA -0.230 4.512 4.740 0.003 0.000 0.249 1233 N C -0.135 175.334 175.510 -0.070 0.000 1.059 1233 N CA 0.380 53.397 53.050 -0.056 0.000 0.720 1233 N CB -1.518 36.935 38.487 -0.056 0.000 0.983 1233 N HN 0.464 nan 8.380 nan 0.000 0.544 1234 C N 0.810 120.065 119.300 -0.075 0.000 2.648 1234 C HA 0.244 4.706 4.460 0.003 0.000 0.419 1234 C C -1.523 173.426 174.990 -0.069 0.000 1.352 1234 C CA -1.643 57.322 59.018 -0.088 0.000 1.816 1234 C CB -0.381 27.305 27.740 -0.091 0.000 2.598 1234 C HN 0.300 nan 8.230 nan 0.000 0.598 1235 P HA 0.036 nan 4.420 nan 0.000 0.262 1235 P C 0.753 178.018 177.300 -0.058 0.000 1.182 1235 P CA 0.548 63.610 63.100 -0.062 0.000 0.761 1235 P CB 0.367 32.028 31.700 -0.066 0.000 0.795 1236 E N 3.857 124.029 120.200 -0.047 0.000 2.065 1236 E HA -0.323 4.029 4.350 0.003 0.000 0.201 1236 E C 1.855 178.424 176.600 -0.052 0.000 1.016 1236 E CA 1.393 57.767 56.400 -0.043 0.000 0.818 1236 E CB -0.020 29.660 29.700 -0.034 0.000 0.749 1236 E HN 0.292 nan 8.360 nan 0.000 0.453 1237 R N -0.074 120.395 120.500 -0.052 0.000 2.117 1237 R HA -0.162 4.180 4.340 0.003 0.000 0.243 1237 R C 2.307 178.566 176.300 -0.069 0.000 1.143 1237 R CA 1.623 57.690 56.100 -0.055 0.000 0.968 1237 R CB -0.081 30.190 30.300 -0.050 0.000 0.863 1237 R HN 0.130 nan 8.270 nan 0.000 0.444 1238 V N -0.306 119.560 119.914 -0.079 0.000 2.453 1238 V HA -0.166 3.956 4.120 0.003 0.000 0.247 1238 V C 2.096 178.110 176.094 -0.132 0.000 1.048 1238 V CA 2.086 64.325 62.300 -0.103 0.000 1.049 1238 V CB -0.377 31.383 31.823 -0.106 0.000 0.672 1238 V HN 0.416 nan 8.190 nan 0.000 0.457 1239 T N -0.129 114.359 114.554 -0.109 0.000 2.803 1239 T HA -0.191 4.161 4.350 0.003 0.000 0.269 1239 T C 1.616 176.226 174.700 -0.150 0.000 1.052 1239 T CA 1.633 63.663 62.100 -0.116 0.000 1.136 1239 T CB -0.351 68.480 68.868 -0.061 0.000 0.864 1239 T HN 0.509 nan 8.240 nan 0.000 0.467 1240 D N 1.249 121.577 120.400 -0.120 0.000 2.097 1240 D HA -0.024 4.618 4.640 0.003 0.000 0.195 1240 D C 2.199 178.403 176.300 -0.161 0.000 0.989 1240 D CA 0.846 54.776 54.000 -0.117 0.000 0.827 1240 D CB -0.399 40.354 40.800 -0.079 0.000 0.966 1240 D HN 0.337 nan 8.370 nan 0.000 0.456 1241 L N 0.183 121.312 121.223 -0.156 0.000 2.042 1241 L HA -0.159 4.183 4.340 0.003 0.000 0.210 1241 L C 2.689 179.362 176.870 -0.328 0.000 1.076 1241 L CA 0.910 55.656 54.840 -0.158 0.000 0.749 1241 L CB -0.382 41.636 42.059 -0.069 0.000 0.893 1241 L HN 0.020 nan 8.230 nan 0.000 0.432 1242 M N -0.524 118.785 119.600 -0.485 0.000 2.213 1242 M HA -0.218 4.264 4.480 0.003 0.000 0.263 1242 M C 2.958 178.711 176.300 -0.911 0.000 1.062 1242 M CA 2.032 56.744 55.300 -0.981 0.000 1.105 1242 M CB -0.443 31.541 32.600 -1.027 0.000 1.385 1242 M HN 0.322 nan 8.290 nan 0.000 0.417 1243 R N 0.495 120.709 120.500 -0.476 0.000 2.096 1243 R HA -0.079 4.263 4.340 0.003 0.000 0.235 1243 R C 1.616 177.749 176.300 -0.278 0.000 1.127 1243 R CA 1.983 57.889 56.100 -0.323 0.000 0.968 1243 R CB -1.471 28.721 30.300 -0.180 0.000 0.861 1243 R HN 0.480 nan 8.270 nan 0.000 0.440 1244 M N -0.265 119.182 119.600 -0.255 0.000 2.156 1244 M HA -0.076 4.406 4.480 0.003 0.000 0.264 1244 M C 2.619 178.809 176.300 -0.185 0.000 1.067 1244 M CA 1.404 56.602 55.300 -0.170 0.000 1.131 1244 M CB -0.314 32.208 32.600 -0.130 0.000 1.368 1244 M HN 0.401 nan 8.290 nan 0.000 0.416 1245 C N -0.549 118.552 119.300 -0.332 0.000 2.435 1245 C HA -0.117 4.345 4.460 0.003 0.000 0.279 1245 C C 1.651 176.499 174.990 -0.238 0.000 1.321 1245 C CA 0.262 59.094 59.018 -0.310 0.000 1.752 1245 C CB -0.935 26.518 27.740 -0.479 0.000 1.959 1245 C HN 0.658 nan 8.230 nan 0.000 0.500 1246 W N 1.080 122.114 121.300 -0.444 0.000 3.269 1246 W HA 0.309 4.971 4.660 0.003 0.000 0.413 1246 W C 0.535 176.963 176.519 -0.152 0.000 1.057 1246 W CA -0.717 56.207 57.345 -0.702 0.000 1.953 1246 W CB -1.300 27.554 29.460 -1.010 0.000 1.053 1246 W HN 0.448 nan 8.180 nan 0.000 0.753 1247 Q N 0.437 120.334 119.800 0.162 0.000 2.311 1247 Q HA -0.049 4.293 4.340 0.003 0.000 0.272 1247 Q C 1.137 177.364 176.000 0.378 0.000 1.012 1247 Q CA 0.039 55.969 55.803 0.212 0.000 0.891 1247 Q CB 0.782 29.595 28.738 0.124 0.000 1.201 1247 Q HN 0.137 nan 8.270 nan 0.000 0.391 1248 F N 3.100 123.196 119.950 0.243 0.000 2.091 1248 F HA -0.226 4.302 4.527 0.003 0.000 0.299 1248 F C 1.222 177.105 175.800 0.137 0.000 1.103 1248 F CA 1.331 59.462 58.000 0.218 0.000 1.228 1248 F CB 0.105 39.188 39.000 0.138 0.000 0.984 1248 F HN 0.541 nan 8.300 nan 0.000 0.477 1249 N N 1.811 120.667 118.700 0.260 0.000 2.431 1249 N HA 0.029 4.771 4.740 0.003 0.000 0.265 1249 N C -1.708 173.841 175.510 0.066 0.000 1.184 1249 N CA -1.977 51.147 53.050 0.124 0.000 0.943 1249 N CB 0.801 39.375 38.487 0.144 0.000 1.080 1249 N HN 0.050 nan 8.380 nan 0.000 0.477 1250 P HA -0.185 nan 4.420 nan 0.000 0.216 1250 P C 0.444 177.764 177.300 0.033 0.000 1.150 1250 P CA 1.529 64.642 63.100 0.020 0.000 0.843 1250 P CB 0.336 32.019 31.700 -0.027 0.000 0.787 1251 K N -1.247 119.169 120.400 0.027 0.000 2.360 1251 K HA 0.004 4.326 4.320 0.003 0.000 0.201 1251 K C 2.040 178.656 176.600 0.026 0.000 1.046 1251 K CA 0.869 57.170 56.287 0.024 0.000 0.945 1251 K CB -0.267 32.247 32.500 0.023 0.000 0.750 1251 K HN 0.144 nan 8.250 nan 0.000 0.464 1252 M N 0.458 120.082 119.600 0.040 0.000 2.476 1252 M HA 0.040 4.522 4.480 0.003 0.000 0.262 1252 M C 0.455 176.768 176.300 0.022 0.000 1.111 1252 M CA 0.698 56.020 55.300 0.036 0.000 1.127 1252 M CB -0.203 32.431 32.600 0.056 0.000 1.376 1252 M HN -0.027 nan 8.290 nan 0.000 0.465 1253 R N 1.612 122.130 120.500 0.029 0.000 2.694 1253 R HA 0.140 4.482 4.340 0.003 0.000 0.268 1253 R C -2.036 174.239 176.300 -0.042 0.000 1.061 1253 R CA -1.047 55.053 56.100 0.002 0.000 1.133 1253 R CB -0.417 29.904 30.300 0.036 0.000 1.020 1253 R HN 0.102 nan 8.270 nan 0.000 0.475 1254 P HA 0.036 nan 4.420 nan 0.000 0.277 1254 P C -0.567 176.622 177.300 -0.184 0.000 1.271 1254 P CA -0.375 62.663 63.100 -0.104 0.000 0.795 1254 P CB 0.697 32.336 31.700 -0.101 0.000 1.101 1255 T N -3.097 111.363 114.554 -0.156 0.000 2.943 1255 T HA 0.337 4.689 4.350 0.003 0.000 0.284 1255 T C 1.076 175.639 174.700 -0.228 0.000 1.015 1255 T CA -0.432 61.551 62.100 -0.194 0.000 1.042 1255 T CB 0.208 69.056 68.868 -0.034 0.000 1.055 1255 T HN 0.080 nan 8.240 nan 0.000 0.500 1256 F N 0.272 120.204 119.950 -0.029 0.000 2.161 1256 F HA 0.030 4.559 4.527 0.003 0.000 0.300 1256 F C 2.266 178.084 175.800 0.029 0.000 1.089 1256 F CA 1.039 58.992 58.000 -0.078 0.000 1.282 1256 F CB -0.876 38.085 39.000 -0.065 0.000 1.010 1256 F HN 0.444 nan 8.300 nan 0.000 0.485 1257 L N -0.355 121.042 121.223 0.290 0.000 2.083 1257 L HA -0.216 4.126 4.340 0.003 0.000 0.209 1257 L C 2.225 179.263 176.870 0.279 0.000 1.083 1257 L CA 1.470 56.523 54.840 0.356 0.000 0.752 1257 L CB -0.713 41.523 42.059 0.294 0.000 0.899 1257 L HN 0.210 nan 8.230 nan 0.000 0.433 1258 E N -0.048 120.236 120.200 0.139 0.000 2.204 1258 E HA -0.174 4.178 4.350 0.003 0.000 0.194 1258 E C 2.204 178.825 176.600 0.036 0.000 0.989 1258 E CA 0.724 57.175 56.400 0.084 0.000 0.824 1258 E CB 0.114 29.829 29.700 0.025 0.000 0.756 1258 E HN 0.394 nan 8.360 nan 0.000 0.477 1259 I N 0.663 121.235 120.570 0.003 0.000 2.353 1259 I HA -0.170 4.002 4.170 0.003 0.000 0.248 1259 I C 2.316 178.407 176.117 -0.043 0.000 1.119 1259 I CA 0.931 62.211 61.300 -0.034 0.000 1.417 1259 I CB -0.708 37.221 38.000 -0.118 0.000 1.078 1259 I HN 0.007 nan 8.210 nan 0.000 0.421 1260 V N 1.214 121.100 119.914 -0.047 0.000 2.453 1260 V HA -0.227 3.895 4.120 0.003 0.000 0.247 1260 V C 2.258 178.109 176.094 -0.405 0.000 1.048 1260 V CA 1.790 63.953 62.300 -0.229 0.000 1.049 1260 V CB -0.912 30.741 31.823 -0.283 0.000 0.672 1260 V HN 0.409 nan 8.190 nan 0.000 0.457 1261 N N 0.378 118.937 118.700 -0.235 0.000 2.149 1261 N HA -0.157 4.585 4.740 0.003 0.000 0.188 1261 N C 1.621 177.097 175.510 -0.056 0.000 1.019 1261 N CA 1.460 54.464 53.050 -0.076 0.000 0.857 1261 N CB -0.281 38.319 38.487 0.188 0.000 0.997 1261 N HN 0.446 nan 8.380 nan 0.000 0.426 1262 L N -0.350 120.843 121.223 -0.049 0.000 2.362 1262 L HA -0.032 4.310 4.340 0.003 0.000 0.219 1262 L C 1.186 178.019 176.870 -0.062 0.000 1.134 1262 L CA 0.654 55.472 54.840 -0.038 0.000 0.807 1262 L CB -0.058 41.985 42.059 -0.027 0.000 0.927 1262 L HN 0.300 nan 8.230 nan 0.000 0.447 1263 L N -1.573 119.585 121.223 -0.109 0.000 2.781 1263 L HA 0.066 4.408 4.340 0.003 0.000 0.245 1263 L C 2.170 178.939 176.870 -0.169 0.000 1.118 1263 L CA -0.063 54.699 54.840 -0.131 0.000 0.918 1263 L CB -0.242 41.728 42.059 -0.149 0.000 1.246 1263 L HN 0.135 nan 8.230 nan 0.000 0.526 1264 K N 0.109 120.403 120.400 -0.177 0.000 2.293 1264 K HA -0.209 4.113 4.320 0.003 0.000 0.204 1264 K C 0.460 177.049 176.600 -0.018 0.000 1.045 1264 K CA 1.902 58.127 56.287 -0.102 0.000 0.933 1264 K CB -0.300 32.172 32.500 -0.047 0.000 0.736 1264 K HN 0.266 nan 8.250 nan 0.000 0.463 1265 D N 0.597 120.982 120.400 -0.026 0.000 2.339 1265 D HA -0.014 4.628 4.640 0.003 0.000 0.217 1265 D C 0.053 176.336 176.300 -0.029 0.000 1.050 1265 D CA 0.518 54.516 54.000 -0.005 0.000 0.856 1265 D CB 0.277 41.080 40.800 0.005 0.000 0.922 1265 D HN 0.271 nan 8.370 nan 0.000 0.518 1266 D N 0.660 121.022 120.400 -0.063 0.000 2.952 1266 D HA 0.200 4.842 4.640 0.003 0.000 0.373 1266 D C -0.550 175.695 176.300 -0.091 0.000 1.360 1266 D CA -0.091 53.870 54.000 -0.065 0.000 0.788 1266 D CB 0.406 41.169 40.800 -0.062 0.000 1.192 1266 D HN 0.060 nan 8.370 nan 0.000 0.462 1267 L N 0.037 121.203 121.223 -0.094 0.000 2.309 1267 L HA 0.360 4.702 4.340 0.003 0.000 0.261 1267 L C 0.576 177.455 176.870 0.015 0.000 1.021 1267 L CA -1.111 53.664 54.840 -0.108 0.000 0.823 1267 L CB 2.055 43.918 42.059 -0.327 0.000 1.366 1267 L HN 0.097 nan 8.230 nan 0.000 0.423 1268 H N 1.856 120.918 119.070 -0.014 0.000 3.038 1268 H HA -0.016 4.542 4.556 0.003 0.000 0.338 1268 H C -1.924 173.449 175.328 0.075 0.000 1.041 1268 H CA -0.601 55.475 56.048 0.046 0.000 1.394 1268 H CB 1.471 31.285 29.762 0.086 0.000 1.357 1268 H HN 0.291 nan 8.280 nan 0.000 0.600 1269 P HA -0.176 nan 4.420 nan 0.000 0.218 1269 P C 1.413 178.829 177.300 0.194 0.000 1.146 1269 P CA 2.099 65.218 63.100 0.032 0.000 0.813 1269 P CB 0.115 31.757 31.700 -0.096 0.000 0.778 1270 S N -2.491 113.491 115.700 0.470 0.000 2.489 1270 S HA -0.104 4.368 4.470 0.003 0.000 0.228 1270 S C 1.748 176.447 174.600 0.163 0.000 0.995 1270 S CA 0.076 58.428 58.200 0.254 0.000 0.934 1270 S CB -1.501 61.807 63.200 0.180 0.000 0.771 1270 S HN -0.008 nan 8.310 nan 0.000 0.522 1271 F N 3.974 123.975 119.950 0.084 0.000 2.043 1271 F HA 0.019 4.548 4.527 0.003 0.000 0.297 1271 F C -1.124 174.627 175.800 -0.082 0.000 1.121 1271 F CA 1.116 59.145 58.000 0.049 0.000 1.199 1271 F CB -1.403 37.629 39.000 0.053 0.000 0.968 1271 F HN 0.201 nan 8.300 nan 0.000 0.478 1272 P HA -0.158 nan 4.420 nan 0.000 0.223 1272 P C 0.957 178.114 177.300 -0.239 0.000 1.144 1272 P CA 1.731 64.463 63.100 -0.614 0.000 0.783 1272 P CB -0.130 31.275 31.700 -0.491 0.000 0.771 1273 E N -0.955 119.155 120.200 -0.150 0.000 2.170 1273 E HA -0.049 4.303 4.350 0.003 0.000 0.191 1273 E C 1.497 178.001 176.600 -0.160 0.000 0.981 1273 E CA 1.193 57.526 56.400 -0.112 0.000 0.830 1273 E CB 0.006 29.659 29.700 -0.078 0.000 0.775 1273 E HN 0.232 nan 8.360 nan 0.000 0.470 1274 V N -1.755 118.017 119.914 -0.237 0.000 3.502 1274 V HA 0.164 4.286 4.120 0.003 0.000 0.288 1274 V C 0.734 176.687 176.094 -0.234 0.000 1.461 1274 V CA -0.247 61.867 62.300 -0.309 0.000 1.029 1274 V CB 0.396 31.827 31.823 -0.654 0.000 0.843 1274 V HN 0.075 nan 8.190 nan 0.000 0.438 1275 S N 0.271 115.797 115.700 -0.290 0.000 2.585 1275 S HA 0.321 4.793 4.470 0.003 0.000 0.273 1275 S C 0.645 175.299 174.600 0.090 0.000 1.339 1275 S CA 0.174 58.255 58.200 -0.198 0.000 1.028 1275 S CB 0.873 63.678 63.200 -0.657 0.000 0.906 1275 S HN 0.496 nan 8.310 nan 0.000 0.528 1276 F N 2.710 122.723 119.950 0.106 0.000 2.206 1276 F HA 0.046 4.575 4.527 0.003 0.000 0.298 1276 F C 1.625 177.532 175.800 0.178 0.000 1.090 1276 F CA 0.741 58.833 58.000 0.153 0.000 1.323 1276 F CB -0.590 38.556 39.000 0.242 0.000 1.028 1276 F HN 0.729 nan 8.300 nan 0.000 0.492 1277 F N 1.008 120.930 119.950 -0.046 0.000 2.154 1277 F HA -0.256 4.273 4.527 0.003 0.000 0.301 1277 F C 1.952 177.561 175.800 -0.317 0.000 1.087 1277 F CA 2.332 60.225 58.000 -0.178 0.000 1.274 1277 F CB -0.772 38.258 39.000 0.050 0.000 1.009 1277 F HN 0.093 nan 8.300 nan 0.000 0.485 1278 H N -0.772 118.334 119.070 0.060 0.000 2.539 1278 H HA 0.212 4.770 4.556 0.003 0.000 0.269 1278 H C 1.018 176.272 175.328 -0.122 0.000 0.980 1278 H CA 0.401 56.441 56.048 -0.015 0.000 1.152 1278 H CB -0.233 29.580 29.762 0.086 0.000 1.407 1278 H HN 0.159 nan 8.280 nan 0.000 0.564 1279 S N -0.265 115.376 115.700 -0.099 0.000 2.617 1279 S HA 0.287 4.759 4.470 0.003 0.000 0.269 1279 S C 1.654 176.165 174.600 -0.148 0.000 1.292 1279 S CA -0.086 58.058 58.200 -0.093 0.000 1.010 1279 S CB 1.489 64.665 63.200 -0.040 0.000 0.944 1279 S HN 0.505 nan 8.310 nan 0.000 0.536 1280 E N 0.464 120.620 120.200 -0.073 0.000 2.204 1280 E HA -0.164 4.188 4.350 0.003 0.000 0.195 1280 E C 1.743 178.304 176.600 -0.065 0.000 0.990 1280 E CA 1.545 57.905 56.400 -0.067 0.000 0.821 1280 E CB -1.021 28.663 29.700 -0.027 0.000 0.750 1280 E HN 0.949 nan 8.360 nan 0.000 0.477 1281 E N 0.586 120.770 120.200 -0.028 0.000 2.118 1281 E HA -0.200 4.152 4.350 0.003 0.000 0.195 1281 E C 0.989 177.580 176.600 -0.016 0.000 0.992 1281 E CA 0.905 57.339 56.400 0.057 0.000 0.804 1281 E CB -0.212 29.626 29.700 0.230 0.000 0.741 1281 E HN 0.425 nan 8.360 nan 0.000 0.458 1282 N N 0.677 119.180 118.700 -0.328 0.000 2.605 1282 N HA 0.069 4.811 4.740 0.003 0.000 0.282 1282 N C -0.950 174.414 175.510 -0.243 0.000 1.206 1282 N CA 0.511 53.255 53.050 -0.511 0.000 1.074 1282 N CB 0.109 37.983 38.487 -1.022 0.000 1.434 1282 N HN 0.228 nan 8.380 nan 0.000 0.506 1283 K N 0.000 120.346 120.400 -0.090 0.000 2.780 1283 K HA 0.000 4.322 4.320 0.003 0.000 0.191 1283 K CA 0.000 56.248 56.287 -0.064 0.000 0.838 1283 K CB 0.000 32.474 32.500 -0.044 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543