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 1jqh_1_B DATA FIRST_RESID 984 DATA SEQUENCE ADVYVPDEWE VAREKITMSR ELGQGSFGMV YEGVAKGVVK DEPETRVAIK DATA SEQUENCE TVNEAASMRE RIEFLNEASV MKEFNCHHVV RLLGVVSQGQ PTLVIMELMT DATA SEQUENCE RGDLKSYLRS LRPXXXXXXX XXPPSLSKMI QMAGEIADGM AYLNANKFVH DATA SEQUENCE RDLAARNCMV AEDFTVKIGD FGMTXXXXXX XYYRKGGKGL LPVRWMSPES DATA SEQUENCE LKDGVFTTYS DVWSFGVVLW EIATLAEQPY QGLSNEQVLR FVMEGGLLDK DATA SEQUENCE PDNCPDMLFE LMRMCWQYNP KMRPSFLEII SSIKEEMEPG FREVSFYYSE 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 984 A HA 0.000 nan 4.320 nan 0.000 0.244 984 A C 0.000 177.613 177.584 0.049 0.000 1.274 984 A CA 0.000 52.060 52.037 0.038 0.000 0.836 984 A CB 0.000 19.021 19.000 0.035 0.000 0.831 985 D N 0.526 120.952 120.400 0.043 0.000 2.538 985 D HA 0.375 5.002 4.640 -0.021 0.000 0.231 985 D C -0.180 176.150 176.300 0.050 0.000 1.229 985 D CA 0.008 54.036 54.000 0.047 0.000 0.828 985 D CB 0.933 41.755 40.800 0.037 0.000 1.035 985 D HN 0.802 nan 8.370 nan 0.000 0.495 986 V N 0.569 120.517 119.914 0.056 0.000 2.891 986 V HA 0.435 4.543 4.120 -0.021 0.000 0.304 986 V C -2.304 173.841 176.094 0.086 0.000 1.171 986 V CA -0.990 61.346 62.300 0.060 0.000 0.943 986 V CB 2.632 34.469 31.823 0.023 0.000 1.037 986 V HN 0.137 nan 8.190 nan 0.000 0.427 987 Y N 5.430 125.725 120.300 -0.009 0.000 2.328 987 Y HA 0.729 5.265 4.550 -0.022 0.000 0.336 987 Y C -0.627 175.265 175.900 -0.013 0.000 0.960 987 Y CA -0.673 57.416 58.100 -0.019 0.000 1.134 987 Y CB 2.015 40.461 38.460 -0.022 0.000 1.166 987 Y HN 0.469 nan 8.280 nan 0.000 0.464 988 V N 9.241 128.721 119.914 -0.724 0.000 2.348 988 V HA 0.321 4.428 4.120 -0.021 0.000 0.270 988 V C -2.047 173.665 176.094 -0.637 0.000 1.037 988 V CA -1.867 60.142 62.300 -0.486 0.000 0.872 988 V CB 0.633 32.273 31.823 -0.305 0.000 1.002 988 V HN 0.743 nan 8.190 nan 0.000 0.464 989 P HA 0.217 nan 4.420 nan 0.000 0.268 989 P C -0.895 176.380 177.300 -0.041 0.000 1.208 989 P CA 0.092 63.176 63.100 -0.027 0.000 0.777 989 P CB 0.536 32.284 31.700 0.079 0.000 0.875 990 D N -1.136 119.303 120.400 0.064 0.000 2.812 990 D HA 0.089 4.717 4.640 -0.021 0.000 0.318 990 D C 0.262 176.627 176.300 0.108 0.000 1.234 990 D CA -0.628 53.417 54.000 0.076 0.000 0.989 990 D CB 0.079 40.945 40.800 0.110 0.000 1.442 990 D HN 0.241 nan 8.370 nan 0.000 0.537 991 E N -1.019 119.214 120.200 0.056 0.000 2.455 991 E HA -0.088 4.250 4.350 -0.021 0.000 0.202 991 E C 0.511 177.055 176.600 -0.094 0.000 1.045 991 E CA 0.735 57.105 56.400 -0.050 0.000 0.872 991 E CB -0.215 29.399 29.700 -0.144 0.000 0.792 991 E HN 0.420 nan 8.360 nan 0.000 0.542 992 W N 1.498 122.795 121.300 -0.004 0.000 2.905 992 W HA 0.053 4.709 4.660 -0.006 0.000 0.251 992 W C 0.940 177.462 176.519 0.004 0.000 1.305 992 W CA -0.313 57.029 57.345 -0.005 0.000 1.465 992 W CB 0.212 29.669 29.460 -0.006 0.000 1.122 992 W HN -0.071 nan 8.180 nan 0.000 0.659 993 E N 0.569 120.892 120.200 0.206 0.000 2.413 993 E HA 0.196 4.534 4.350 -0.021 0.000 0.263 993 E C -0.605 176.042 176.600 0.078 0.000 1.015 993 E CA 0.329 56.810 56.400 0.136 0.000 0.916 993 E CB 0.636 30.403 29.700 0.111 0.000 0.947 993 E HN -0.224 nan 8.360 nan 0.000 0.440 994 V N 2.934 122.887 119.914 0.065 0.000 2.789 994 V HA 0.600 4.708 4.120 -0.021 0.000 0.311 994 V C -0.393 175.717 176.094 0.027 0.000 1.073 994 V CA -0.811 61.512 62.300 0.038 0.000 0.921 994 V CB 1.880 33.727 31.823 0.040 0.000 1.009 994 V HN 0.888 nan 8.190 nan 0.000 0.426 995 A N 3.626 126.456 122.820 0.015 0.000 2.492 995 A HA 0.288 4.595 4.320 -0.021 0.000 0.254 995 A C 1.275 178.863 177.584 0.007 0.000 1.091 995 A CA -0.035 52.008 52.037 0.010 0.000 0.768 995 A CB -0.090 18.912 19.000 0.003 0.000 1.028 995 A HN 1.017 nan 8.150 nan 0.000 0.498 996 R N 2.200 122.702 120.500 0.005 0.000 2.341 996 R HA -0.104 4.224 4.340 -0.021 0.000 0.213 996 R C 0.617 176.912 176.300 -0.009 0.000 1.082 996 R CA 1.342 57.440 56.100 -0.002 0.000 1.017 996 R CB -0.051 30.245 30.300 -0.006 0.000 0.860 996 R HN 0.802 nan 8.270 nan 0.000 0.473 997 E N 1.733 121.929 120.200 -0.007 0.000 2.435 997 E HA -0.070 4.267 4.350 -0.021 0.000 0.195 997 E C 0.902 177.496 176.600 -0.009 0.000 1.029 997 E CA 0.516 56.910 56.400 -0.009 0.000 0.865 997 E CB 0.042 29.738 29.700 -0.008 0.000 0.833 997 E HN 0.419 nan 8.360 nan 0.000 0.510 998 K N 0.569 120.966 120.400 -0.005 0.000 2.393 998 K HA 0.179 4.487 4.320 -0.021 0.000 0.193 998 K C 0.387 176.985 176.600 -0.004 0.000 1.026 998 K CA 0.061 56.346 56.287 -0.004 0.000 1.064 998 K CB 0.632 33.131 32.500 -0.002 0.000 0.833 998 K HN 0.082 nan 8.250 nan 0.000 0.521 999 I N 1.866 122.433 120.570 -0.006 0.000 2.460 999 I HA 0.184 4.342 4.170 -0.021 0.000 0.298 999 I C 0.323 176.427 176.117 -0.022 0.000 0.989 999 I CA -0.485 60.810 61.300 -0.008 0.000 1.173 999 I CB 1.236 39.233 38.000 -0.005 0.000 1.338 999 I HN -0.058 nan 8.210 nan 0.000 0.456 1000 T N 3.337 117.877 114.554 -0.023 0.000 2.993 1000 T HA 0.702 5.040 4.350 -0.021 0.000 0.312 1000 T C -0.727 173.950 174.700 -0.040 0.000 1.115 1000 T CA -0.866 61.212 62.100 -0.037 0.000 1.027 1000 T CB 1.641 70.495 68.868 -0.025 0.000 1.116 1000 T HN 0.424 nan 8.240 nan 0.000 0.464 1001 M N 3.171 122.725 119.600 -0.077 0.000 2.227 1001 M HA 0.388 4.856 4.480 -0.021 0.000 0.335 1001 M C 1.117 177.389 176.300 -0.047 0.000 1.053 1001 M CA -0.945 54.308 55.300 -0.079 0.000 0.973 1001 M CB 2.176 34.628 32.600 -0.246 0.000 1.623 1001 M HN 0.908 nan 8.290 nan 0.000 0.434 1002 S N 2.642 118.349 115.700 0.012 0.000 2.371 1002 S HA 0.221 4.679 4.470 -0.021 0.000 0.219 1002 S C 0.688 175.326 174.600 0.064 0.000 1.040 1002 S CA 0.039 58.254 58.200 0.026 0.000 0.958 1002 S CB 0.183 63.400 63.200 0.028 0.000 0.860 1002 S HN 0.800 nan 8.310 nan 0.000 0.487 1003 R N 0.953 121.523 120.500 0.117 0.000 2.764 1003 R HA 0.495 4.822 4.340 -0.021 0.000 0.270 1003 R C -1.747 174.693 176.300 0.233 0.000 1.014 1003 R CA -0.704 55.493 56.100 0.160 0.000 0.904 1003 R CB 0.798 31.150 30.300 0.087 0.000 1.236 1003 R HN 0.191 nan 8.270 nan 0.000 0.466 1004 E N 0.703 121.009 120.200 0.175 0.000 2.390 1004 E HA 0.163 4.500 4.350 -0.021 0.000 0.261 1004 E C 0.341 176.912 176.600 -0.050 0.000 1.076 1004 E CA -0.098 56.273 56.400 -0.049 0.000 0.905 1004 E CB 1.015 30.621 29.700 -0.157 0.000 0.984 1004 E HN 0.438 nan 8.360 nan 0.000 0.427 1005 L N 0.594 121.753 121.223 -0.108 0.000 2.547 1005 L HA 0.358 4.685 4.340 -0.021 0.000 0.218 1005 L C 0.834 177.664 176.870 -0.066 0.000 1.048 1005 L CA 0.224 55.034 54.840 -0.051 0.000 0.859 1005 L CB 0.598 42.642 42.059 -0.024 0.000 1.128 1005 L HN 0.697 nan 8.230 nan 0.000 0.483 1006 G N -0.369 108.360 108.800 -0.117 0.000 2.376 1006 G HA2 0.197 4.145 3.960 -0.021 0.000 0.302 1006 G HA3 0.197 4.145 3.960 -0.021 0.000 0.302 1006 G C -1.880 172.956 174.900 -0.108 0.000 1.586 1006 G CA -0.671 44.374 45.100 -0.090 0.000 0.907 1006 G HN -0.186 nan 8.290 nan 0.000 0.655 1007 Q N -0.404 119.345 119.800 -0.084 0.000 2.432 1007 Q HA 0.590 4.917 4.340 -0.021 0.000 0.264 1007 Q C 0.760 176.739 176.000 -0.035 0.000 1.035 1007 Q CA 1.318 57.077 55.803 -0.073 0.000 0.908 1007 Q CB 1.032 29.737 28.738 -0.055 0.000 1.280 1007 Q HN 1.135 nan 8.270 nan 0.000 0.455 1008 G N 0.064 108.854 108.800 -0.015 0.000 3.140 1008 G HA2 0.374 4.321 3.960 -0.021 0.000 0.271 1008 G HA3 0.374 4.321 3.960 -0.021 0.000 0.271 1008 G C -0.008 174.903 174.900 0.019 0.000 1.370 1008 G CA -0.215 44.906 45.100 0.034 0.000 1.014 1008 G HN 0.618 nan 8.290 nan 0.000 0.541 1009 S N -0.891 114.834 115.700 0.043 0.000 2.383 1009 S HA -0.011 4.446 4.470 -0.021 0.000 0.227 1009 S C 1.626 176.075 174.600 -0.252 0.000 1.026 1009 S CA 1.302 59.435 58.200 -0.112 0.000 0.981 1009 S CB -0.255 62.856 63.200 -0.147 0.000 0.818 1009 S HN 0.405 nan 8.310 nan 0.000 0.472 1010 F N 0.755 120.698 119.950 -0.012 0.000 2.717 1010 F HA 0.437 4.953 4.527 -0.019 0.000 0.295 1010 F C 1.364 177.068 175.800 -0.160 0.000 1.117 1010 F CA 0.358 58.298 58.000 -0.100 0.000 1.361 1010 F CB 0.523 39.409 39.000 -0.189 0.000 1.112 1010 F HN 0.294 nan 8.300 nan 0.000 0.594 1011 G N -0.384 108.437 108.800 0.035 0.000 2.324 1011 G HA2 0.291 4.239 3.960 -0.021 0.000 0.293 1011 G HA3 0.291 4.239 3.960 -0.021 0.000 0.293 1011 G C -1.558 173.317 174.900 -0.042 0.000 1.297 1011 G CA -1.163 43.922 45.100 -0.024 0.000 0.853 1011 G HN -0.143 nan 8.290 nan 0.000 0.535 1012 M N 0.588 120.137 119.600 -0.085 0.000 2.250 1012 M HA 0.496 4.964 4.480 -0.021 0.000 0.337 1012 M C -0.117 176.011 176.300 -0.287 0.000 1.161 1012 M CA 0.044 55.198 55.300 -0.244 0.000 1.088 1012 M CB 0.757 33.117 32.600 -0.400 0.000 1.639 1012 M HN 0.451 nan 8.290 nan 0.000 0.447 1013 V N 7.147 126.871 119.914 -0.316 0.000 2.435 1013 V HA 0.452 4.559 4.120 -0.021 0.000 0.290 1013 V C -0.793 175.111 176.094 -0.316 0.000 1.030 1013 V CA -0.492 61.709 62.300 -0.165 0.000 0.881 1013 V CB 0.912 32.707 31.823 -0.046 0.000 0.983 1013 V HN 0.821 nan 8.190 nan 0.000 0.445 1014 Y N 1.500 121.814 120.300 0.023 0.000 2.650 1014 Y HA 0.602 5.140 4.550 -0.021 0.000 0.331 1014 Y C 0.294 176.203 175.900 0.015 0.000 1.082 1014 Y CA -0.923 57.186 58.100 0.016 0.000 1.171 1014 Y CB 1.395 39.862 38.460 0.011 0.000 1.326 1014 Y HN 0.549 nan 8.280 nan 0.000 0.513 1015 E N -0.066 120.258 120.200 0.206 0.000 2.221 1015 E HA 0.689 5.027 4.350 -0.021 0.000 0.268 1015 E C -0.626 176.032 176.600 0.098 0.000 0.933 1015 E CA -0.532 55.935 56.400 0.111 0.000 0.809 1015 E CB 1.972 31.715 29.700 0.072 0.000 1.190 1015 E HN 0.869 nan 8.360 nan 0.000 0.406 1016 G N 0.671 109.506 108.800 0.058 0.000 2.435 1016 G HA2 0.396 4.343 3.960 -0.021 0.000 0.296 1016 G HA3 0.396 4.343 3.960 -0.021 0.000 0.296 1016 G C -1.606 173.307 174.900 0.022 0.000 1.240 1016 G CA -0.341 44.779 45.100 0.033 0.000 0.872 1016 G HN 0.443 nan 8.290 nan 0.000 0.480 1017 V N -0.018 119.903 119.914 0.012 0.000 2.841 1017 V HA 0.835 4.942 4.120 -0.021 0.000 0.310 1017 V C -0.079 176.019 176.094 0.007 0.000 1.090 1017 V CA -0.210 62.095 62.300 0.009 0.000 0.930 1017 V CB 1.524 33.349 31.823 0.004 0.000 1.014 1017 V HN 1.696 nan 8.190 nan 0.000 0.425 1018 A N 3.654 126.479 122.820 0.009 0.000 2.356 1018 A HA 0.773 5.081 4.320 -0.021 0.000 0.310 1018 A C -0.597 176.990 177.584 0.005 0.000 1.075 1018 A CA -0.796 51.246 52.037 0.009 0.000 0.746 1018 A CB 1.256 20.267 19.000 0.017 0.000 1.221 1018 A HN 0.745 nan 8.150 nan 0.000 0.443 1019 K N 1.001 121.401 120.400 0.001 0.000 2.201 1019 K HA 0.484 4.792 4.320 -0.021 0.000 0.278 1019 K C 0.773 177.369 176.600 -0.006 0.000 1.027 1019 K CA 0.305 56.591 56.287 -0.003 0.000 0.909 1019 K CB 1.308 33.805 32.500 -0.005 0.000 1.062 1019 K HN 1.584 nan 8.250 nan 0.000 0.465 1020 G N 1.465 110.259 108.800 -0.009 0.000 2.323 1020 G HA2 -0.243 3.705 3.960 -0.021 0.000 0.292 1020 G HA3 -0.243 3.705 3.960 -0.021 0.000 0.292 1020 G C 0.477 175.366 174.900 -0.020 0.000 1.040 1020 G CA 0.538 45.628 45.100 -0.016 0.000 0.942 1020 G HN 0.527 nan 8.290 nan 0.000 0.506 1021 V N -4.052 115.856 119.914 -0.011 0.000 3.644 1021 V HA 0.598 4.706 4.120 -0.021 0.000 0.267 1021 V C 0.892 176.979 176.094 -0.012 0.000 1.277 1021 V CA 0.511 62.807 62.300 -0.007 0.000 1.096 1021 V CB 0.689 32.523 31.823 0.017 0.000 0.828 1021 V HN 0.454 nan 8.190 nan 0.000 0.446 1022 V N 1.158 121.064 119.914 -0.013 0.000 2.680 1022 V HA 0.373 4.480 4.120 -0.021 0.000 0.309 1022 V C 0.035 176.116 176.094 -0.021 0.000 1.052 1022 V CA -1.185 61.108 62.300 -0.012 0.000 0.908 1022 V CB 2.014 33.836 31.823 -0.002 0.000 1.001 1022 V HN 0.435 nan 8.190 nan 0.000 0.431 1023 K N 3.013 123.398 120.400 -0.025 0.000 2.472 1023 K HA -0.001 4.306 4.320 -0.021 0.000 0.280 1023 K C 0.015 176.603 176.600 -0.020 0.000 1.028 1023 K CA 0.414 56.685 56.287 -0.028 0.000 1.045 1023 K CB 0.046 32.528 32.500 -0.029 0.000 0.902 1023 K HN 0.792 nan 8.250 nan 0.000 0.478 1024 D N 2.448 122.836 120.400 -0.020 0.000 2.911 1024 D HA -0.180 4.447 4.640 -0.021 0.000 0.227 1024 D C -0.944 175.349 176.300 -0.012 0.000 1.164 1024 D CA 1.175 55.165 54.000 -0.016 0.000 0.782 1024 D CB -0.803 39.988 40.800 -0.015 0.000 1.094 1024 D HN 0.693 nan 8.370 nan 0.000 0.425 1025 E N -0.796 119.397 120.200 -0.012 0.000 2.331 1025 E HA 0.197 4.535 4.350 -0.021 0.000 0.243 1025 E C -1.843 174.752 176.600 -0.008 0.000 0.925 1025 E CA -1.913 54.483 56.400 -0.008 0.000 0.760 1025 E CB 1.587 31.284 29.700 -0.005 0.000 1.254 1025 E HN -0.149 nan 8.360 nan 0.000 0.419 1026 P HA -0.189 nan 4.420 nan 0.000 0.216 1026 P C -0.525 176.771 177.300 -0.006 0.000 1.157 1026 P CA 1.465 64.561 63.100 -0.007 0.000 0.880 1026 P CB 0.331 32.027 31.700 -0.006 0.000 0.791 1027 E N -2.803 117.396 120.200 -0.003 0.000 2.393 1027 E HA 0.525 4.862 4.350 -0.021 0.000 0.273 1027 E C -0.984 175.617 176.600 0.001 0.000 0.918 1027 E CA -0.663 55.737 56.400 -0.001 0.000 0.773 1027 E CB 2.266 31.965 29.700 -0.001 0.000 1.275 1027 E HN -0.285 nan 8.360 nan 0.000 0.451 1028 T N 1.150 115.707 114.554 0.004 0.000 2.952 1028 T HA 0.352 4.690 4.350 -0.021 0.000 0.305 1028 T C -0.757 173.948 174.700 0.009 0.000 1.064 1028 T CA -0.849 61.255 62.100 0.007 0.000 1.008 1028 T CB 1.213 70.086 68.868 0.009 0.000 1.078 1028 T HN 0.256 nan 8.240 nan 0.000 0.459 1029 R N 1.499 122.004 120.500 0.008 0.000 2.438 1029 R HA 0.668 4.995 4.340 -0.021 0.000 0.287 1029 R C 0.058 176.366 176.300 0.014 0.000 1.077 1029 R CA -0.549 55.557 56.100 0.010 0.000 1.034 1029 R CB 0.687 30.990 30.300 0.006 0.000 0.993 1029 R HN 0.514 nan 8.270 nan 0.000 0.459 1030 V N -1.606 118.321 119.914 0.021 0.000 3.182 1030 V HA 0.874 4.982 4.120 -0.021 0.000 0.308 1030 V C -0.956 175.161 176.094 0.038 0.000 1.240 1030 V CA -1.351 60.965 62.300 0.026 0.000 1.063 1030 V CB 1.980 33.821 31.823 0.031 0.000 1.076 1030 V HN 0.782 nan 8.190 nan 0.000 0.446 1031 A N 1.995 124.839 122.820 0.041 0.000 2.288 1031 A HA 0.847 5.154 4.320 -0.021 0.000 0.320 1031 A C -0.585 177.046 177.584 0.078 0.000 1.217 1031 A CA -0.582 51.489 52.037 0.056 0.000 0.840 1031 A CB 0.518 19.541 19.000 0.038 0.000 1.179 1031 A HN 0.801 nan 8.150 nan 0.000 0.504 1032 I N 3.101 123.746 120.570 0.124 0.000 2.330 1032 I HA 0.251 4.409 4.170 -0.021 0.000 0.286 1032 I C -0.063 176.175 176.117 0.203 0.000 1.025 1032 I CA -0.356 61.036 61.300 0.153 0.000 1.197 1032 I CB 0.778 38.872 38.000 0.158 0.000 1.358 1032 I HN 0.577 nan 8.210 nan 0.000 0.467 1033 K N 5.045 125.561 120.400 0.194 0.000 2.234 1033 K HA 0.497 4.805 4.320 -0.021 0.000 0.282 1033 K C 0.460 177.222 176.600 0.269 0.000 1.039 1033 K CA -0.283 56.154 56.287 0.250 0.000 0.928 1033 K CB 1.948 34.641 32.500 0.321 0.000 1.039 1033 K HN 0.735 nan 8.250 nan 0.000 0.470 1034 T N -2.073 112.534 114.554 0.088 0.000 2.888 1034 T HA 0.588 4.925 4.350 -0.021 0.000 0.288 1034 T C -0.432 174.023 174.700 -0.409 0.000 1.063 1034 T CA -0.807 61.229 62.100 -0.107 0.000 1.010 1034 T CB 1.393 70.311 68.868 0.083 0.000 1.214 1034 T HN 0.155 nan 8.240 nan 0.000 0.533 1035 V N 2.271 121.922 119.914 -0.438 0.000 2.540 1035 V HA 0.486 4.593 4.120 -0.021 0.000 0.302 1035 V C 0.259 176.267 176.094 -0.143 0.000 1.035 1035 V CA -1.222 60.856 62.300 -0.371 0.000 0.873 1035 V CB 1.500 33.031 31.823 -0.487 0.000 0.992 1035 V HN 0.999 nan 8.190 nan 0.000 0.428 1036 N N 2.802 121.459 118.700 -0.070 0.000 2.479 1036 N HA 0.005 4.733 4.740 -0.021 0.000 0.257 1036 N C 1.464 176.957 175.510 -0.029 0.000 1.232 1036 N CA 0.472 53.503 53.050 -0.032 0.000 0.920 1036 N CB 1.237 39.712 38.487 -0.020 0.000 1.105 1036 N HN 0.943 nan 8.380 nan 0.000 0.444 1037 E N 2.195 122.385 120.200 -0.017 0.000 2.130 1037 E HA -0.249 4.088 4.350 -0.021 0.000 0.196 1037 E C 1.378 177.972 176.600 -0.010 0.000 0.998 1037 E CA 1.691 58.083 56.400 -0.014 0.000 0.806 1037 E CB -0.352 29.343 29.700 -0.008 0.000 0.738 1037 E HN 0.590 nan 8.360 nan 0.000 0.459 1038 A N 1.822 124.637 122.820 -0.008 0.000 2.131 1038 A HA 0.050 4.358 4.320 -0.021 0.000 0.220 1038 A C 1.571 179.154 177.584 -0.002 0.000 1.158 1038 A CA 0.996 53.029 52.037 -0.006 0.000 0.665 1038 A CB -0.705 18.290 19.000 -0.008 0.000 0.795 1038 A HN 0.477 nan 8.150 nan 0.000 0.460 1039 A N 0.721 123.541 122.820 -0.002 0.000 2.498 1039 A HA 0.472 4.780 4.320 -0.021 0.000 0.239 1039 A C 1.060 178.654 177.584 0.017 0.000 1.068 1039 A CA 0.286 52.332 52.037 0.014 0.000 0.766 1039 A CB -0.076 18.934 19.000 0.017 0.000 1.003 1039 A HN 0.976 nan 8.150 nan 0.000 0.497 1040 S N 2.224 117.942 115.700 0.031 0.000 2.632 1040 S HA 0.331 4.789 4.470 -0.021 0.000 0.267 1040 S C 1.135 175.757 174.600 0.036 0.000 1.193 1040 S CA 0.349 58.567 58.200 0.030 0.000 1.003 1040 S CB 0.179 63.400 63.200 0.034 0.000 1.073 1040 S HN 0.821 nan 8.310 nan 0.000 0.553 1041 M N 0.703 120.324 119.600 0.035 0.000 2.134 1041 M HA 0.158 4.625 4.480 -0.021 0.000 0.262 1041 M C 2.313 178.645 176.300 0.053 0.000 1.076 1041 M CA 1.505 56.827 55.300 0.037 0.000 1.143 1041 M CB -0.943 31.678 32.600 0.034 0.000 1.346 1041 M HN 0.797 nan 8.290 nan 0.000 0.421 1042 R N 0.041 120.577 120.500 0.059 0.000 2.103 1042 R HA -0.218 4.109 4.340 -0.021 0.000 0.242 1042 R C 1.937 178.304 176.300 0.111 0.000 1.142 1042 R CA 2.359 58.504 56.100 0.075 0.000 0.960 1042 R CB -0.411 29.930 30.300 0.068 0.000 0.858 1042 R HN 0.586 nan 8.270 nan 0.000 0.439 1043 E N -0.184 120.097 120.200 0.135 0.000 2.031 1043 E HA -0.189 4.148 4.350 -0.021 0.000 0.193 1043 E C 2.241 178.960 176.600 0.199 0.000 0.994 1043 E CA 1.304 57.855 56.400 0.251 0.000 0.800 1043 E CB -0.097 29.744 29.700 0.235 0.000 0.752 1043 E HN 0.373 nan 8.360 nan 0.000 0.447 1044 R N 0.400 120.953 120.500 0.089 0.000 2.127 1044 R HA -0.119 4.208 4.340 -0.021 0.000 0.238 1044 R C 2.369 178.681 176.300 0.020 0.000 1.134 1044 R CA 1.021 57.132 56.100 0.017 0.000 0.975 1044 R CB -0.313 29.982 30.300 -0.009 0.000 0.865 1044 R HN 0.264 nan 8.270 nan 0.000 0.447 1045 I N 0.393 120.980 120.570 0.028 0.000 2.286 1045 I HA -0.208 3.949 4.170 -0.021 0.000 0.245 1045 I C 2.610 178.725 176.117 -0.003 0.000 1.104 1045 I CA 1.036 62.344 61.300 0.015 0.000 1.397 1045 I CB -0.278 37.764 38.000 0.070 0.000 1.072 1045 I HN 0.248 nan 8.210 nan 0.000 0.417 1046 E N 1.222 121.448 120.200 0.043 0.000 2.058 1046 E HA -0.307 4.031 4.350 -0.021 0.000 0.194 1046 E C 2.227 178.756 176.600 -0.117 0.000 0.997 1046 E CA 1.706 58.140 56.400 0.056 0.000 0.801 1046 E CB -0.213 29.617 29.700 0.217 0.000 0.746 1046 E HN 0.369 nan 8.360 nan 0.000 0.450 1047 F N 0.995 120.598 119.950 -0.579 0.000 2.091 1047 F HA -0.260 4.255 4.527 -0.021 0.000 0.299 1047 F C 1.864 177.334 175.800 -0.550 0.000 1.103 1047 F CA 1.253 58.597 58.000 -1.094 0.000 1.228 1047 F CB -0.378 37.875 39.000 -1.246 0.000 0.984 1047 F HN 0.099 nan 8.300 nan 0.000 0.477 1048 L N 0.985 121.914 121.223 -0.491 0.000 2.017 1048 L HA -0.218 4.110 4.340 -0.021 0.000 0.208 1048 L C 2.253 178.905 176.870 -0.363 0.000 1.073 1048 L CA 1.623 56.106 54.840 -0.594 0.000 0.745 1048 L CB -1.612 39.998 42.059 -0.749 0.000 0.894 1048 L HN 0.229 nan 8.230 nan 0.000 0.432 1049 N N -0.685 117.924 118.700 -0.152 0.000 2.331 1049 N HA -0.182 4.546 4.740 -0.021 0.000 0.180 1049 N C 1.789 177.221 175.510 -0.129 0.000 1.019 1049 N CA 0.814 53.840 53.050 -0.041 0.000 0.881 1049 N CB 0.099 38.604 38.487 0.030 0.000 0.972 1049 N HN 0.508 nan 8.380 nan 0.000 0.435 1050 E N 0.846 120.933 120.200 -0.189 0.000 2.072 1050 E HA -0.018 4.320 4.350 -0.021 0.000 0.190 1050 E C 1.723 178.158 176.600 -0.275 0.000 0.982 1050 E CA 0.677 56.976 56.400 -0.169 0.000 0.803 1050 E CB 0.055 29.694 29.700 -0.102 0.000 0.755 1050 E HN 0.254 nan 8.360 nan 0.000 0.453 1051 A N 0.414 122.974 122.820 -0.434 0.000 2.015 1051 A HA -0.096 4.212 4.320 -0.021 0.000 0.219 1051 A C 2.238 179.567 177.584 -0.425 0.000 1.163 1051 A CA 1.377 53.130 52.037 -0.475 0.000 0.646 1051 A CB -0.305 18.299 19.000 -0.661 0.000 0.806 1051 A HN 0.224 nan 8.150 nan 0.000 0.448 1052 S N -0.287 115.196 115.700 -0.361 0.000 2.474 1052 S HA -0.087 4.371 4.470 -0.021 0.000 0.235 1052 S C 1.757 176.141 174.600 -0.361 0.000 0.997 1052 S CA 1.096 59.081 58.200 -0.358 0.000 0.949 1052 S CB -0.334 62.744 63.200 -0.203 0.000 0.766 1052 S HN 0.404 nan 8.310 nan 0.000 0.517 1053 V N 2.065 121.803 119.914 -0.293 0.000 2.392 1053 V HA -0.209 3.898 4.120 -0.021 0.000 0.249 1053 V C 2.238 178.129 176.094 -0.338 0.000 1.059 1053 V CA 1.361 63.511 62.300 -0.251 0.000 1.051 1053 V CB -0.651 31.087 31.823 -0.142 0.000 0.658 1053 V HN 0.509 nan 8.190 nan 0.000 0.455 1054 M N -0.436 118.930 119.600 -0.389 0.000 2.460 1054 M HA -0.107 4.361 4.480 -0.021 0.000 0.263 1054 M C 1.962 178.025 176.300 -0.396 0.000 1.071 1054 M CA 1.228 56.339 55.300 -0.315 0.000 1.096 1054 M CB -1.224 31.149 32.600 -0.378 0.000 1.408 1054 M HN 0.389 nan 8.290 nan 0.000 0.463 1055 K N 0.311 120.350 120.400 -0.602 0.000 2.147 1055 K HA -0.176 4.131 4.320 -0.021 0.000 0.205 1055 K C 1.917 178.320 176.600 -0.327 0.000 1.049 1055 K CA 1.116 56.963 56.287 -0.733 0.000 0.936 1055 K CB -0.108 31.871 32.500 -0.868 0.000 0.722 1055 K HN 0.442 nan 8.250 nan 0.000 0.446 1056 E N 0.141 120.022 120.200 -0.531 0.000 2.274 1056 E HA -0.075 4.263 4.350 -0.021 0.000 0.194 1056 E C -0.465 175.797 176.600 -0.562 0.000 0.996 1056 E CA 0.385 56.410 56.400 -0.625 0.000 0.840 1056 E CB 0.251 29.358 29.700 -0.988 0.000 0.772 1056 E HN 0.023 nan 8.360 nan 0.000 0.491 1057 F N 0.356 120.329 119.950 0.038 0.000 2.422 1057 F HA 0.403 4.918 4.527 -0.020 0.000 0.333 1057 F C -0.039 175.849 175.800 0.146 0.000 1.095 1057 F CA -1.149 56.963 58.000 0.186 0.000 1.038 1057 F CB 1.186 40.317 39.000 0.219 0.000 1.156 1057 F HN -0.224 nan 8.300 nan 0.000 0.483 1058 N N 1.467 120.376 118.700 0.348 0.000 2.653 1058 N HA 0.371 5.099 4.740 -0.021 0.000 0.261 1058 N C -2.001 173.381 175.510 -0.214 0.000 1.216 1058 N CA -0.069 53.036 53.050 0.092 0.000 0.784 1058 N CB 0.939 39.503 38.487 0.128 0.000 1.327 1058 N HN 0.781 nan 8.380 nan 0.000 0.539 1059 C N 2.651 121.745 119.300 -0.343 0.000 2.698 1059 C HA 0.436 4.884 4.460 -0.021 0.000 0.309 1059 C C 1.663 176.536 174.990 -0.196 0.000 1.186 1059 C CA -0.499 58.224 59.018 -0.491 0.000 1.474 1059 C CB 0.775 27.929 27.740 -0.977 0.000 2.020 1059 C HN 0.985 nan 8.230 nan 0.000 0.474 1060 H N 1.343 120.262 119.070 -0.251 0.000 2.456 1060 H HA -0.013 4.530 4.556 -0.022 0.000 0.296 1060 H C 1.040 176.166 175.328 -0.338 0.000 1.079 1060 H CA 2.277 58.146 56.048 -0.299 0.000 1.322 1060 H CB -0.064 29.454 29.762 -0.407 0.000 1.388 1060 H HN 0.859 nan 8.280 nan 0.000 0.538 1061 H N -1.096 117.929 119.070 -0.075 0.000 2.537 1061 H HA 0.367 4.912 4.556 -0.019 0.000 0.295 1061 H C -0.724 174.570 175.328 -0.057 0.000 1.054 1061 H CA -0.150 55.855 56.048 -0.071 0.000 1.156 1061 H CB 0.513 30.313 29.762 0.064 0.000 1.468 1061 H HN 0.010 nan 8.280 nan 0.000 0.551 1062 V N 1.233 121.138 119.914 -0.015 0.000 2.638 1062 V HA 0.116 4.224 4.120 -0.021 0.000 0.306 1062 V C -0.005 176.082 176.094 -0.013 0.000 1.052 1062 V CA -1.123 61.192 62.300 0.026 0.000 0.885 1062 V CB 2.433 34.283 31.823 0.046 0.000 0.999 1062 V HN -0.019 nan 8.190 nan 0.000 0.424 1063 V N 5.014 124.931 119.914 0.005 0.000 2.617 1063 V HA 0.118 4.225 4.120 -0.021 0.000 0.304 1063 V C 0.717 176.793 176.094 -0.029 0.000 1.040 1063 V CA 0.299 62.586 62.300 -0.023 0.000 1.149 1063 V CB 0.378 32.194 31.823 -0.012 0.000 0.914 1063 V HN 0.782 nan 8.190 nan 0.000 0.487 1064 R N 3.008 123.493 120.500 -0.024 0.000 2.428 1064 R HA 0.507 4.835 4.340 -0.021 0.000 0.294 1064 R C -0.657 175.639 176.300 -0.006 0.000 1.000 1064 R CA -0.901 55.198 56.100 -0.001 0.000 0.960 1064 R CB 1.246 31.564 30.300 0.029 0.000 1.076 1064 R HN 0.591 nan 8.270 nan 0.000 0.475 1065 L N 4.673 125.884 121.223 -0.020 0.000 2.305 1065 L HA 0.212 4.539 4.340 -0.021 0.000 0.281 1065 L C -0.101 176.865 176.870 0.159 0.000 1.085 1065 L CA 0.504 55.315 54.840 -0.048 0.000 0.813 1065 L CB 1.052 42.943 42.059 -0.281 0.000 1.157 1065 L HN 0.763 nan 8.230 nan 0.000 0.436 1066 L N 4.398 125.715 121.223 0.156 0.000 2.672 1066 L HA 0.555 4.883 4.340 -0.021 0.000 0.236 1066 L C 0.823 177.862 176.870 0.281 0.000 1.092 1066 L CA 0.363 55.334 54.840 0.219 0.000 0.887 1066 L CB 0.230 42.351 42.059 0.103 0.000 1.168 1066 L HN 0.855 nan 8.230 nan 0.000 0.502 1067 G N -0.754 108.201 108.800 0.258 0.000 2.320 1067 G HA2 0.408 4.356 3.960 -0.021 0.000 0.296 1067 G HA3 0.408 4.356 3.960 -0.021 0.000 0.296 1067 G C -2.264 172.714 174.900 0.130 0.000 1.306 1067 G CA -0.191 45.069 45.100 0.267 0.000 0.836 1067 G HN -0.277 nan 8.290 nan 0.000 0.517 1068 V N -1.136 118.850 119.914 0.120 0.000 3.087 1068 V HA 0.749 4.856 4.120 -0.021 0.000 0.306 1068 V C -1.299 174.819 176.094 0.041 0.000 1.187 1068 V CA -0.630 61.688 62.300 0.030 0.000 0.999 1068 V CB 2.234 34.044 31.823 -0.022 0.000 1.049 1068 V HN 1.129 nan 8.190 nan 0.000 0.431 1069 V N 5.336 125.256 119.914 0.011 0.000 2.327 1069 V HA 0.343 4.450 4.120 -0.021 0.000 0.272 1069 V C 0.777 176.864 176.094 -0.013 0.000 1.019 1069 V CA 0.505 62.815 62.300 0.017 0.000 0.814 1069 V CB 0.768 32.605 31.823 0.022 0.000 1.040 1069 V HN 1.047 nan 8.190 nan 0.000 0.440 1070 S N 2.016 117.702 115.700 -0.024 0.000 2.492 1070 S HA 0.135 4.593 4.470 -0.021 0.000 0.218 1070 S C 0.728 175.331 174.600 0.005 0.000 1.016 1070 S CA -0.139 58.017 58.200 -0.073 0.000 0.916 1070 S CB 0.149 63.271 63.200 -0.130 0.000 0.791 1070 S HN 0.576 nan 8.310 nan 0.000 0.513 1071 Q N 2.292 122.113 119.800 0.034 0.000 2.344 1071 Q HA 0.562 4.889 4.340 -0.021 0.000 0.253 1071 Q C 0.472 176.483 176.000 0.018 0.000 1.050 1071 Q CA 0.659 56.484 55.803 0.036 0.000 0.912 1071 Q CB 0.256 29.020 28.738 0.043 0.000 1.258 1071 Q HN 0.668 nan 8.270 nan 0.000 0.443 1072 G N 2.275 111.083 108.800 0.013 0.000 2.629 1072 G HA2 -0.158 3.789 3.960 -0.021 0.000 0.686 1072 G HA3 -0.158 3.789 3.960 -0.021 0.000 0.686 1072 G C -0.848 174.050 174.900 -0.004 0.000 1.232 1072 G CA -0.971 44.132 45.100 0.005 0.000 0.803 1072 G HN 0.436 nan 8.290 nan 0.000 0.638 1073 Q N 0.744 120.540 119.800 -0.007 0.000 2.313 1073 Q HA 0.498 4.826 4.340 -0.021 0.000 0.266 1073 Q C -2.009 173.979 176.000 -0.019 0.000 0.989 1073 Q CA 0.249 56.043 55.803 -0.015 0.000 0.890 1073 Q CB 0.742 29.472 28.738 -0.013 0.000 1.200 1073 Q HN 0.537 nan 8.270 nan 0.000 0.396 1074 P HA -0.082 nan 4.420 nan 0.000 0.014 1074 P C -1.330 175.953 177.300 -0.028 0.000 0.739 1074 P CA 0.184 63.262 63.100 -0.036 0.000 1.035 1074 P CB -0.717 30.961 31.700 -0.037 0.000 1.909 1075 T N 3.362 117.890 114.554 -0.043 0.000 2.792 1075 T HA 0.238 4.575 4.350 -0.021 0.000 0.286 1075 T C 0.976 175.710 174.700 0.057 0.000 0.970 1075 T CA 0.567 62.663 62.100 -0.007 0.000 1.187 1075 T CB 0.065 68.914 68.868 -0.031 0.000 0.915 1075 T HN 0.128 nan 8.240 nan 0.000 0.529 1076 L N 3.028 124.324 121.223 0.121 0.000 2.286 1076 L HA 0.882 5.210 4.340 -0.021 0.000 0.265 1076 L C -0.449 176.531 176.870 0.183 0.000 1.012 1076 L CA -1.299 53.647 54.840 0.176 0.000 0.818 1076 L CB 1.817 43.925 42.059 0.082 0.000 1.337 1076 L HN 0.239 nan 8.230 nan 0.000 0.438 1077 V N 1.728 121.736 119.914 0.157 0.000 2.655 1077 V HA 0.343 4.450 4.120 -0.021 0.000 0.301 1077 V C -0.986 175.127 176.094 0.031 0.000 1.082 1077 V CA -0.283 62.017 62.300 0.000 0.000 0.899 1077 V CB 2.151 33.864 31.823 -0.183 0.000 1.014 1077 V HN 0.389 nan 8.190 nan 0.000 0.429 1078 I N 6.498 127.079 120.570 0.018 0.000 2.315 1078 I HA 0.536 4.693 4.170 -0.021 0.000 0.291 1078 I C 0.150 176.278 176.117 0.018 0.000 1.006 1078 I CA 0.077 61.398 61.300 0.035 0.000 1.265 1078 I CB 1.224 39.253 38.000 0.050 0.000 1.387 1078 I HN 0.381 nan 8.210 nan 0.000 0.475 1079 M N 4.067 123.676 119.600 0.015 0.000 2.664 1079 M HA 0.383 4.851 4.480 -0.021 0.000 0.314 1079 M C 0.086 176.392 176.300 0.010 0.000 1.200 1079 M CA -0.818 54.482 55.300 -0.001 0.000 0.916 1079 M CB 1.448 34.039 32.600 -0.015 0.000 1.717 1079 M HN 0.544 nan 8.290 nan 0.000 0.470 1080 E N 1.617 121.819 120.200 0.003 0.000 2.452 1080 E HA 0.092 4.429 4.350 -0.021 0.000 0.261 1080 E C -1.153 175.444 176.600 -0.005 0.000 0.987 1080 E CA -0.123 56.278 56.400 0.000 0.000 0.926 1080 E CB 0.736 30.430 29.700 -0.011 0.000 0.934 1080 E HN 0.539 nan 8.360 nan 0.000 0.452 1081 L N 5.660 126.880 121.223 -0.005 0.000 2.313 1081 L HA 0.144 4.471 4.340 -0.021 0.000 0.282 1081 L C -0.457 176.397 176.870 -0.026 0.000 1.092 1081 L CA -0.286 54.549 54.840 -0.008 0.000 0.831 1081 L CB 0.684 42.741 42.059 -0.003 0.000 1.159 1081 L HN 0.710 nan 8.230 nan 0.000 0.442 1082 M N 4.628 124.211 119.600 -0.028 0.000 2.480 1082 M HA 0.137 4.604 4.480 -0.021 0.000 0.320 1082 M C 1.305 177.574 176.300 -0.052 0.000 1.141 1082 M CA -0.387 54.884 55.300 -0.048 0.000 1.102 1082 M CB 0.303 32.880 32.600 -0.038 0.000 1.249 1082 M HN 0.575 nan 8.290 nan 0.000 0.446 1083 T N -0.856 113.658 114.554 -0.067 0.000 2.822 1083 T HA -0.163 4.175 4.350 -0.021 0.000 0.270 1083 T C 1.486 176.147 174.700 -0.065 0.000 1.064 1083 T CA 1.300 63.363 62.100 -0.062 0.000 1.131 1083 T CB -0.147 68.676 68.868 -0.076 0.000 0.858 1083 T HN 0.577 nan 8.240 nan 0.000 0.483 1084 R N 1.304 121.740 120.500 -0.106 0.000 2.310 1084 R HA 0.420 4.748 4.340 -0.021 0.000 0.202 1084 R C 1.599 177.897 176.300 -0.003 0.000 0.933 1084 R CA 0.214 56.264 56.100 -0.084 0.000 1.054 1084 R CB -0.234 29.924 30.300 -0.236 0.000 0.985 1084 R HN 0.609 nan 8.270 nan 0.000 0.489 1085 G N 2.062 110.859 108.800 -0.004 0.000 2.642 1085 G HA2 -0.280 3.668 3.960 -0.021 0.000 0.231 1085 G HA3 -0.280 3.668 3.960 -0.021 0.000 0.231 1085 G C -0.812 174.115 174.900 0.045 0.000 1.338 1085 G CA -0.212 44.907 45.100 0.030 0.000 0.883 1085 G HN 0.449 nan 8.290 nan 0.000 0.570 1086 D N 0.093 120.534 120.400 0.068 0.000 2.339 1086 D HA 0.281 4.908 4.640 -0.021 0.000 0.245 1086 D C 1.724 178.101 176.300 0.129 0.000 1.115 1086 D CA -0.222 53.827 54.000 0.081 0.000 0.917 1086 D CB 1.584 42.427 40.800 0.072 0.000 1.192 1086 D HN 0.563 nan 8.370 nan 0.000 0.428 1087 L N 1.917 123.219 121.223 0.132 0.000 2.043 1087 L HA -0.217 4.111 4.340 -0.021 0.000 0.212 1087 L C 2.464 179.459 176.870 0.208 0.000 1.075 1087 L CA 1.955 56.912 54.840 0.196 0.000 0.752 1087 L CB -0.888 41.267 42.059 0.161 0.000 0.891 1087 L HN 0.642 nan 8.230 nan 0.000 0.432 1088 K N -1.118 119.373 120.400 0.153 0.000 2.009 1088 K HA -0.177 4.131 4.320 -0.021 0.000 0.210 1088 K C 2.065 178.737 176.600 0.119 0.000 1.049 1088 K CA 1.885 58.255 56.287 0.139 0.000 0.929 1088 K CB -0.214 32.362 32.500 0.126 0.000 0.714 1088 K HN 0.376 nan 8.250 nan 0.000 0.440 1089 S N -0.004 115.767 115.700 0.119 0.000 2.383 1089 S HA -0.180 4.277 4.470 -0.021 0.000 0.229 1089 S C 1.617 176.290 174.600 0.123 0.000 1.030 1089 S CA 1.331 59.592 58.200 0.103 0.000 1.002 1089 S CB -0.483 62.775 63.200 0.096 0.000 0.829 1089 S HN 0.459 nan 8.310 nan 0.000 0.467 1090 Y N 2.157 122.491 120.300 0.056 0.000 2.242 1090 Y HA -0.010 4.528 4.550 -0.020 0.000 0.291 1090 Y C 1.753 177.692 175.900 0.065 0.000 1.137 1090 Y CA 1.055 59.195 58.100 0.066 0.000 1.181 1090 Y CB -0.438 38.070 38.460 0.081 0.000 0.989 1090 Y HN 0.149 nan 8.280 nan 0.000 0.527 1091 L N -0.198 120.956 121.223 -0.115 0.000 2.072 1091 L HA -0.167 4.160 4.340 -0.021 0.000 0.205 1091 L C 2.581 179.358 176.870 -0.155 0.000 1.079 1091 L CA 1.135 55.859 54.840 -0.195 0.000 0.752 1091 L CB -0.504 41.540 42.059 -0.025 0.000 0.906 1091 L HN 0.093 nan 8.230 nan 0.000 0.436 1092 R N 0.131 120.593 120.500 -0.064 0.000 2.152 1092 R HA -0.111 4.217 4.340 -0.021 0.000 0.232 1092 R C 2.439 178.700 176.300 -0.065 0.000 1.117 1092 R CA 1.580 57.656 56.100 -0.041 0.000 0.981 1092 R CB -0.571 29.733 30.300 0.007 0.000 0.870 1092 R HN 0.499 nan 8.270 nan 0.000 0.451 1093 S N 0.715 116.359 115.700 -0.093 0.000 2.481 1093 S HA 0.004 4.461 4.470 -0.021 0.000 0.231 1093 S C 1.996 176.528 174.600 -0.114 0.000 0.996 1093 S CA 0.543 58.695 58.200 -0.079 0.000 0.942 1093 S CB -0.258 62.914 63.200 -0.046 0.000 0.768 1093 S HN 0.234 nan 8.310 nan 0.000 0.520 1094 L N 0.199 121.309 121.223 -0.187 0.000 2.418 1094 L HA 0.187 4.514 4.340 -0.021 0.000 0.218 1094 L C 1.449 178.256 176.870 -0.105 0.000 1.125 1094 L CA 0.067 54.808 54.840 -0.164 0.000 0.835 1094 L CB -0.374 41.546 42.059 -0.232 0.000 0.953 1094 L HN 0.163 nan 8.230 nan 0.000 0.454 1095 R N 1.175 121.620 120.500 -0.092 0.000 2.861 1095 R HA 0.097 4.424 4.340 -0.021 0.000 0.268 1095 R C -1.772 174.498 176.300 -0.049 0.000 1.027 1095 R CA -0.962 55.098 56.100 -0.067 0.000 1.163 1095 R CB -0.308 29.960 30.300 -0.053 0.000 1.060 1095 R HN 0.029 nan 8.270 nan 0.000 0.483 1107 P HA 0.026 nan 4.420 nan 0.000 0.274 1107 P C 0.346 177.618 177.300 -0.047 0.000 1.177 1107 P CA 0.512 63.584 63.100 -0.047 0.000 0.766 1107 P CB 0.130 31.817 31.700 -0.021 0.000 0.771 1108 S N 1.833 117.507 115.700 -0.043 0.000 2.614 1108 S HA 0.107 4.564 4.470 -0.021 0.000 0.265 1108 S C 1.243 175.821 174.600 -0.036 0.000 1.303 1108 S CA -0.917 57.258 58.200 -0.041 0.000 1.000 1108 S CB 0.462 63.639 63.200 -0.038 0.000 0.935 1108 S HN 0.517 nan 8.310 nan 0.000 0.551 1109 L N 1.329 122.530 121.223 -0.036 0.000 2.051 1109 L HA -0.156 4.171 4.340 -0.021 0.000 0.214 1109 L C 2.535 179.387 176.870 -0.031 0.000 1.076 1109 L CA 2.626 57.446 54.840 -0.033 0.000 0.758 1109 L CB -1.343 40.698 42.059 -0.029 0.000 0.890 1109 L HN 1.022 nan 8.230 nan 0.000 0.433 1110 S N -0.475 115.207 115.700 -0.029 0.000 2.359 1110 S HA -0.193 4.264 4.470 -0.021 0.000 0.224 1110 S C 1.946 176.531 174.600 -0.025 0.000 1.035 1110 S CA 1.261 59.445 58.200 -0.027 0.000 1.018 1110 S CB -0.027 63.158 63.200 -0.024 0.000 0.876 1110 S HN 0.420 nan 8.310 nan 0.000 0.448 1111 K N 0.998 121.384 120.400 -0.024 0.000 2.009 1111 K HA -0.065 4.242 4.320 -0.021 0.000 0.210 1111 K C 2.246 178.846 176.600 0.002 0.000 1.049 1111 K CA 1.630 57.909 56.287 -0.013 0.000 0.929 1111 K CB -0.788 31.701 32.500 -0.018 0.000 0.714 1111 K HN 0.518 nan 8.250 nan 0.000 0.440 1112 M N 0.456 120.051 119.600 -0.008 0.000 2.108 1112 M HA -0.137 4.330 4.480 -0.021 0.000 0.261 1112 M C 2.084 178.375 176.300 -0.016 0.000 1.066 1112 M CA 1.214 56.508 55.300 -0.010 0.000 1.107 1112 M CB -0.388 32.195 32.600 -0.029 0.000 1.356 1112 M HN -0.012 nan 8.290 nan 0.000 0.406 1113 I N 0.337 120.890 120.570 -0.029 0.000 2.361 1113 I HA -0.241 3.917 4.170 -0.021 0.000 0.251 1113 I C 2.451 178.532 176.117 -0.059 0.000 1.133 1113 I CA 1.512 62.786 61.300 -0.043 0.000 1.413 1113 I CB -1.257 36.710 38.000 -0.054 0.000 1.073 1113 I HN 0.364 nan 8.210 nan 0.000 0.424 1114 Q N 1.037 120.812 119.800 -0.041 0.000 2.016 1114 Q HA -0.125 4.202 4.340 -0.021 0.000 0.200 1114 Q C 2.318 178.311 176.000 -0.012 0.000 0.978 1114 Q CA 1.728 57.506 55.803 -0.041 0.000 0.833 1114 Q CB -0.232 28.510 28.738 0.007 0.000 0.895 1114 Q HN 0.411 nan 8.270 nan 0.000 0.427 1115 M N -0.451 119.167 119.600 0.030 0.000 2.082 1115 M HA -0.201 4.267 4.480 -0.021 0.000 0.258 1115 M C 2.183 178.522 176.300 0.064 0.000 1.069 1115 M CA 1.783 57.119 55.300 0.059 0.000 1.102 1115 M CB -0.554 32.092 32.600 0.077 0.000 1.336 1115 M HN 0.315 nan 8.290 nan 0.000 0.404 1116 A N 0.567 123.421 122.820 0.056 0.000 1.940 1116 A HA -0.064 4.244 4.320 -0.021 0.000 0.219 1116 A C 2.379 180.078 177.584 0.191 0.000 1.176 1116 A CA 1.971 54.101 52.037 0.156 0.000 0.631 1116 A CB -1.515 17.545 19.000 0.100 0.000 0.814 1116 A HN 0.579 nan 8.150 nan 0.000 0.446 1117 G N -0.480 108.315 108.800 -0.008 0.000 2.402 1117 G HA2 -0.155 3.793 3.960 -0.021 0.000 0.216 1117 G HA3 -0.155 3.793 3.960 -0.021 0.000 0.216 1117 G C 1.417 176.245 174.900 -0.120 0.000 1.162 1117 G CA 0.901 45.904 45.100 -0.161 0.000 0.777 1117 G HN 0.668 nan 8.290 nan 0.000 0.539 1118 E N 0.206 120.334 120.200 -0.120 0.000 2.047 1118 E HA -0.056 4.282 4.350 -0.021 0.000 0.191 1118 E C 2.505 179.025 176.600 -0.132 0.000 0.987 1118 E CA 0.680 56.906 56.400 -0.290 0.000 0.799 1118 E CB -0.160 29.488 29.700 -0.086 0.000 0.752 1118 E HN 0.463 nan 8.360 nan 0.000 0.449 1119 I N 1.463 122.059 120.570 0.044 0.000 2.179 1119 I HA -0.264 3.893 4.170 -0.021 0.000 0.242 1119 I C 2.612 178.735 176.117 0.009 0.000 1.088 1119 I CA 1.056 62.421 61.300 0.109 0.000 1.357 1119 I CB -0.369 37.802 38.000 0.285 0.000 1.051 1119 I HN 0.073 nan 8.210 nan 0.000 0.409 1120 A N 0.217 123.058 122.820 0.034 0.000 1.972 1120 A HA -0.288 4.019 4.320 -0.021 0.000 0.219 1120 A C 1.958 179.483 177.584 -0.099 0.000 1.169 1120 A CA 2.271 54.191 52.037 -0.195 0.000 0.635 1120 A CB -0.689 18.231 19.000 -0.134 0.000 0.810 1120 A HN 0.470 nan 8.150 nan 0.000 0.446 1121 D N -0.769 119.651 120.400 0.033 0.000 2.117 1121 D HA -0.020 4.607 4.640 -0.021 0.000 0.198 1121 D C 1.978 178.383 176.300 0.176 0.000 0.982 1121 D CA 1.542 55.664 54.000 0.203 0.000 0.828 1121 D CB -0.356 40.602 40.800 0.263 0.000 0.967 1121 D HN 0.295 nan 8.370 nan 0.000 0.464 1122 G N -0.220 108.626 108.800 0.077 0.000 2.422 1122 G HA2 -0.178 3.769 3.960 -0.021 0.000 0.218 1122 G HA3 -0.178 3.769 3.960 -0.021 0.000 0.218 1122 G C 1.495 176.360 174.900 -0.058 0.000 1.140 1122 G CA 0.439 45.583 45.100 0.073 0.000 0.775 1122 G HN 0.168 nan 8.290 nan 0.000 0.545 1123 M N 1.032 120.454 119.600 -0.297 0.000 2.200 1123 M HA 0.179 4.647 4.480 -0.021 0.000 0.265 1123 M C 2.948 178.999 176.300 -0.415 0.000 1.066 1123 M CA 1.010 55.941 55.300 -0.613 0.000 1.127 1123 M CB -1.001 30.622 32.600 -1.628 0.000 1.379 1123 M HN 0.302 nan 8.290 nan 0.000 0.420 1124 A N -0.760 121.952 122.820 -0.180 0.000 1.930 1124 A HA -0.212 4.096 4.320 -0.021 0.000 0.217 1124 A C 2.132 179.669 177.584 -0.080 0.000 1.175 1124 A CA 1.315 53.434 52.037 0.136 0.000 0.627 1124 A CB -1.077 18.172 19.000 0.416 0.000 0.815 1124 A HN 0.496 nan 8.150 nan 0.000 0.443 1125 Y N 0.604 120.609 120.300 -0.491 0.000 2.114 1125 Y HA -0.197 4.341 4.550 -0.021 0.000 0.284 1125 Y C 1.970 177.585 175.900 -0.476 0.000 1.143 1125 Y CA 1.945 59.410 58.100 -1.058 0.000 1.135 1125 Y CB -0.426 37.604 38.460 -0.717 0.000 0.980 1125 Y HN 0.208 nan 8.280 nan 0.000 0.499 1126 L N 0.359 121.408 121.223 -0.289 0.000 2.012 1126 L HA -0.302 4.026 4.340 -0.021 0.000 0.210 1126 L C 2.192 178.991 176.870 -0.117 0.000 1.073 1126 L CA 2.144 56.825 54.840 -0.266 0.000 0.748 1126 L CB -0.794 41.192 42.059 -0.122 0.000 0.891 1126 L HN 0.373 nan 8.230 nan 0.000 0.431 1127 N N -0.353 118.321 118.700 -0.043 0.000 2.166 1127 N HA -0.170 4.557 4.740 -0.021 0.000 0.186 1127 N C 1.885 177.456 175.510 0.102 0.000 1.019 1127 N CA 0.950 54.064 53.050 0.107 0.000 0.856 1127 N CB -0.143 38.441 38.487 0.162 0.000 0.993 1127 N HN 0.328 nan 8.380 nan 0.000 0.426 1128 A N 1.254 124.051 122.820 -0.038 0.000 1.972 1128 A HA -0.085 4.222 4.320 -0.021 0.000 0.219 1128 A C 1.415 178.926 177.584 -0.122 0.000 1.169 1128 A CA 1.114 53.135 52.037 -0.028 0.000 0.635 1128 A CB -0.173 18.811 19.000 -0.027 0.000 0.810 1128 A HN 0.299 nan 8.150 nan 0.000 0.446 1129 N N 0.566 119.128 118.700 -0.230 0.000 2.389 1129 N HA 0.035 4.763 4.740 -0.021 0.000 0.237 1129 N C -0.669 174.793 175.510 -0.080 0.000 1.148 1129 N CA -0.007 52.941 53.050 -0.170 0.000 0.854 1129 N CB 0.284 38.641 38.487 -0.216 0.000 1.115 1129 N HN 0.125 nan 8.380 nan 0.000 0.492 1130 K N 0.200 120.476 120.400 -0.206 0.000 3.148 1130 K HA -0.222 4.086 4.320 -0.021 0.000 0.267 1130 K C -0.666 175.927 176.600 -0.012 0.000 0.996 1130 K CA 0.726 56.695 56.287 -0.530 0.000 0.737 1130 K CB -2.270 29.852 32.500 -0.631 0.000 1.308 1130 K HN 0.405 nan 8.250 nan 0.000 0.470 1131 F N -0.640 119.340 119.950 0.050 0.000 2.547 1131 F HA 0.440 4.955 4.527 -0.019 0.000 0.316 1131 F C -0.347 175.463 175.800 0.016 0.000 1.121 1131 F CA -1.024 56.989 58.000 0.020 0.000 0.911 1131 F CB 1.561 40.495 39.000 -0.109 0.000 1.179 1131 F HN -0.167 nan 8.300 nan 0.000 0.443 1132 V N 6.890 126.338 119.914 -0.777 0.000 2.334 1132 V HA 0.123 4.230 4.120 -0.021 0.000 0.281 1132 V C 1.064 176.537 176.094 -1.035 0.000 1.016 1132 V CA -0.385 61.544 62.300 -0.618 0.000 0.832 1132 V CB 0.893 32.499 31.823 -0.361 0.000 0.999 1132 V HN 0.925 nan 8.190 nan 0.000 0.439 1133 H N 5.494 124.078 119.070 -0.810 0.000 2.265 1133 H HA -0.133 4.410 4.556 -0.021 0.000 0.295 1133 H C 1.596 176.710 175.328 -0.357 0.000 1.084 1133 H CA 2.517 58.217 56.048 -0.579 0.000 1.261 1133 H CB 0.325 29.951 29.762 -0.226 0.000 1.360 1133 H HN 0.706 nan 8.280 nan 0.000 0.487 1134 R N -0.779 119.732 120.500 0.018 0.000 3.922 1134 R HA -0.187 4.141 4.340 -0.021 0.000 0.447 1134 R C -0.393 175.996 176.300 0.150 0.000 1.035 1134 R CA 1.197 57.302 56.100 0.009 0.000 1.289 1134 R CB -1.548 28.507 30.300 -0.408 0.000 1.906 1134 R HN 0.382 nan 8.270 nan 0.000 0.540 1135 D N 0.235 120.874 120.400 0.397 0.000 3.078 1135 D HA 0.142 4.770 4.640 -0.021 0.000 0.363 1135 D C -1.097 175.326 176.300 0.205 0.000 1.391 1135 D CA -0.399 53.770 54.000 0.282 0.000 0.754 1135 D CB 0.335 41.236 40.800 0.167 0.000 1.238 1135 D HN 0.040 nan 8.370 nan 0.000 0.500 1136 L N 1.595 122.846 121.223 0.046 0.000 2.360 1136 L HA 0.696 5.023 4.340 -0.021 0.000 0.276 1136 L C -0.516 176.344 176.870 -0.016 0.000 1.121 1136 L CA 0.224 54.954 54.840 -0.183 0.000 0.845 1136 L CB 0.499 42.517 42.059 -0.069 0.000 1.143 1136 L HN 0.213 nan 8.230 nan 0.000 0.452 1137 A N 3.903 126.664 122.820 -0.099 0.000 2.608 1137 A HA 0.700 5.008 4.320 -0.021 0.000 0.292 1137 A C 0.530 178.117 177.584 0.006 0.000 1.066 1137 A CA -0.156 51.781 52.037 -0.167 0.000 0.676 1137 A CB 0.510 19.006 19.000 -0.841 0.000 1.277 1137 A HN 1.049 nan 8.150 nan 0.000 0.413 1138 A N 0.736 123.648 122.820 0.153 0.000 1.948 1138 A HA -0.181 4.126 4.320 -0.021 0.000 0.220 1138 A C 1.951 179.586 177.584 0.085 0.000 1.177 1138 A CA 2.198 54.324 52.037 0.147 0.000 0.636 1138 A CB -0.630 18.498 19.000 0.213 0.000 0.815 1138 A HN 1.181 nan 8.150 nan 0.000 0.449 1139 R N -0.811 119.706 120.500 0.029 0.000 2.237 1139 R HA -0.018 4.310 4.340 -0.021 0.000 0.219 1139 R C 0.470 176.782 176.300 0.019 0.000 1.080 1139 R CA 1.549 57.658 56.100 0.015 0.000 0.995 1139 R CB -0.393 29.886 30.300 -0.035 0.000 0.875 1139 R HN 0.343 nan 8.270 nan 0.000 0.462 1140 N N -0.027 118.679 118.700 0.010 0.000 2.268 1140 N HA 0.107 4.835 4.740 -0.021 0.000 0.204 1140 N C -0.842 174.716 175.510 0.080 0.000 1.124 1140 N CA -0.017 53.069 53.050 0.060 0.000 0.838 1140 N CB 0.491 39.030 38.487 0.087 0.000 0.994 1140 N HN 0.167 nan 8.380 nan 0.000 0.489 1141 C N 0.806 120.146 119.300 0.067 0.000 2.529 1141 C HA 0.593 5.041 4.460 -0.021 0.000 0.329 1141 C C 0.099 175.130 174.990 0.069 0.000 1.194 1141 C CA -0.833 58.229 59.018 0.073 0.000 1.779 1141 C CB 1.508 29.294 27.740 0.077 0.000 2.322 1141 C HN 0.174 nan 8.230 nan 0.000 0.500 1142 M N 1.859 121.491 119.600 0.054 0.000 2.664 1142 M HA 0.590 5.058 4.480 -0.021 0.000 0.314 1142 M C -0.823 175.476 176.300 -0.002 0.000 1.200 1142 M CA -0.605 54.712 55.300 0.028 0.000 0.916 1142 M CB 1.693 34.303 32.600 0.017 0.000 1.717 1142 M HN 0.354 nan 8.290 nan 0.000 0.470 1143 V N 1.401 121.287 119.914 -0.046 0.000 2.409 1143 V HA 0.715 4.823 4.120 -0.021 0.000 0.291 1143 V C 0.266 176.259 176.094 -0.167 0.000 1.020 1143 V CA -1.076 61.144 62.300 -0.134 0.000 0.848 1143 V CB 1.146 32.801 31.823 -0.281 0.000 0.990 1143 V HN 1.000 nan 8.190 nan 0.000 0.430 1144 A N 2.714 125.437 122.820 -0.161 0.000 2.272 1144 A HA 0.541 4.849 4.320 -0.021 0.000 0.275 1144 A C 1.233 178.643 177.584 -0.291 0.000 1.096 1144 A CA -0.103 51.834 52.037 -0.167 0.000 0.822 1144 A CB 0.347 19.284 19.000 -0.105 0.000 1.088 1144 A HN 0.880 nan 8.150 nan 0.000 0.495 1145 E N 0.349 120.405 120.200 -0.241 0.000 2.130 1145 E HA -0.212 4.126 4.350 -0.021 0.000 0.196 1145 E C 0.889 177.221 176.600 -0.447 0.000 0.998 1145 E CA 2.078 58.292 56.400 -0.310 0.000 0.806 1145 E CB -0.100 29.504 29.700 -0.160 0.000 0.738 1145 E HN 0.726 nan 8.360 nan 0.000 0.459 1146 D N -1.436 118.820 120.400 -0.239 0.000 2.336 1146 D HA -0.067 4.561 4.640 -0.021 0.000 0.228 1146 D C -0.087 176.267 176.300 0.091 0.000 1.120 1146 D CA -0.270 53.695 54.000 -0.058 0.000 0.839 1146 D CB -0.698 40.142 40.800 0.067 0.000 0.932 1146 D HN 0.244 nan 8.370 nan 0.000 0.509 1147 F N -1.268 118.644 119.950 -0.063 0.000 2.794 1147 F HA -0.241 4.274 4.527 -0.020 0.000 0.335 1147 F C 0.418 176.180 175.800 -0.064 0.000 0.653 1147 F CA 0.767 58.694 58.000 -0.121 0.000 1.266 1147 F CB -2.631 36.324 39.000 -0.075 0.000 1.666 1147 F HN -0.085 nan 8.300 nan 0.000 0.314 1148 T N 1.898 116.508 114.554 0.093 0.000 2.834 1148 T HA 0.459 4.797 4.350 -0.021 0.000 0.298 1148 T C 0.492 175.230 174.700 0.064 0.000 0.966 1148 T CA -0.215 61.960 62.100 0.125 0.000 1.141 1148 T CB 1.238 70.180 68.868 0.123 0.000 0.905 1148 T HN 0.026 nan 8.240 nan 0.000 0.535 1149 V N 5.412 125.389 119.914 0.105 0.000 2.509 1149 V HA 0.466 4.574 4.120 -0.021 0.000 0.284 1149 V C 0.260 176.419 176.094 0.108 0.000 1.047 1149 V CA -0.408 61.938 62.300 0.077 0.000 0.952 1149 V CB 1.338 33.213 31.823 0.087 0.000 0.988 1149 V HN 0.779 nan 8.190 nan 0.000 0.469 1150 K N 3.944 124.386 120.400 0.070 0.000 2.482 1150 K HA 0.618 4.925 4.320 -0.021 0.000 0.257 1150 K C -1.263 175.381 176.600 0.073 0.000 0.969 1150 K CA -0.915 55.417 56.287 0.076 0.000 0.842 1150 K CB 2.697 35.205 32.500 0.014 0.000 1.359 1150 K HN 0.421 nan 8.250 nan 0.000 0.441 1151 I N 2.127 122.750 120.570 0.088 0.000 2.396 1151 I HA 0.096 4.254 4.170 -0.021 0.000 0.289 1151 I C 1.014 177.224 176.117 0.155 0.000 1.056 1151 I CA -0.087 61.282 61.300 0.115 0.000 1.365 1151 I CB 0.767 38.835 38.000 0.114 0.000 1.407 1151 I HN 0.692 nan 8.210 nan 0.000 0.509 1152 G N 4.472 113.371 108.800 0.165 0.000 2.636 1152 G HA2 0.110 4.057 3.960 -0.021 0.000 0.246 1152 G HA3 0.110 4.057 3.960 -0.021 0.000 0.246 1152 G C -0.322 174.693 174.900 0.192 0.000 1.216 1152 G CA -0.559 44.627 45.100 0.144 0.000 0.854 1152 G HN 0.820 nan 8.290 nan 0.000 0.572 1153 D N -1.289 119.132 120.400 0.035 0.000 2.419 1153 D HA 0.385 5.013 4.640 -0.021 0.000 0.236 1153 D C 0.042 176.309 176.300 -0.054 0.000 1.165 1153 D CA 0.013 53.914 54.000 -0.166 0.000 0.882 1153 D CB 0.363 41.045 40.800 -0.196 0.000 1.201 1153 D HN 0.379 nan 8.370 nan 0.000 0.443 1154 F N -1.700 118.223 119.950 -0.045 0.000 2.726 1154 F HA 0.832 5.347 4.527 -0.020 0.000 0.324 1154 F C 0.287 176.057 175.800 -0.049 0.000 1.140 1154 F CA -1.284 56.686 58.000 -0.049 0.000 0.964 1154 F CB 0.905 39.837 39.000 -0.113 0.000 1.399 1154 F HN 0.478 nan 8.300 nan 0.000 0.491 1155 G N -0.154 108.797 108.800 0.251 0.000 2.753 1155 G HA2 0.676 4.623 3.960 -0.021 0.000 0.285 1155 G HA3 0.676 4.623 3.960 -0.021 0.000 0.285 1155 G C -1.816 173.259 174.900 0.292 0.000 1.344 1155 G CA -1.057 44.143 45.100 0.166 0.000 1.050 1155 G HN 0.924 nan 8.290 nan 0.000 0.532 1156 M N 0.971 120.690 119.600 0.200 0.000 2.284 1156 M HA 0.418 4.885 4.480 -0.021 0.000 0.281 1156 M C -0.505 175.876 176.300 0.134 0.000 1.083 1156 M CA -0.570 54.873 55.300 0.240 0.000 0.965 1156 M CB 1.944 34.714 32.600 0.283 0.000 1.717 1156 M HN 0.789 nan 8.290 nan 0.000 0.479 1166 Y N 2.163 122.070 120.300 -0.655 0.000 2.357 1166 Y HA 0.410 4.948 4.550 -0.020 0.000 0.340 1166 Y C 0.297 176.111 175.900 -0.144 0.000 1.260 1166 Y CA -0.137 57.726 58.100 -0.396 0.000 1.425 1166 Y CB 0.545 38.662 38.460 -0.571 0.000 1.326 1166 Y HN 0.332 nan 8.280 nan 0.000 0.580 1167 R N 1.890 122.454 120.500 0.107 0.000 2.500 1167 R HA 0.337 4.665 4.340 -0.021 0.000 0.275 1167 R C -0.904 175.386 176.300 -0.017 0.000 1.051 1167 R CA -0.674 55.529 56.100 0.172 0.000 1.088 1167 R CB 0.590 31.134 30.300 0.408 0.000 1.063 1167 R HN 0.400 nan 8.270 nan 0.000 0.511 1168 K N 0.794 121.173 120.400 -0.034 0.000 2.323 1168 K HA 0.444 4.752 4.320 -0.021 0.000 0.259 1168 K C 0.023 176.505 176.600 -0.197 0.000 0.947 1168 K CA -0.547 55.587 56.287 -0.255 0.000 0.819 1168 K CB 2.261 34.667 32.500 -0.156 0.000 1.109 1168 K HN 0.795 nan 8.250 nan 0.000 0.429 1169 G N -0.052 108.450 108.800 -0.497 0.000 2.543 1169 G HA2 0.607 4.554 3.960 -0.021 0.000 0.267 1169 G HA3 0.607 4.554 3.960 -0.021 0.000 0.267 1169 G C -0.104 174.690 174.900 -0.178 0.000 1.406 1169 G CA -0.205 44.827 45.100 -0.113 0.000 1.048 1169 G HN 0.727 nan 8.290 nan 0.000 0.548 1170 G N -1.270 107.454 108.800 -0.127 0.000 3.039 1170 G HA2 0.224 4.172 3.960 -0.021 0.000 0.686 1170 G HA3 0.224 4.172 3.960 -0.021 0.000 0.686 1170 G C -0.790 174.089 174.900 -0.035 0.000 1.066 1170 G CA -0.081 44.959 45.100 -0.101 0.000 0.774 1170 G HN 0.650 nan 8.290 nan 0.000 0.591 1171 K N 1.238 121.635 120.400 -0.005 0.000 2.588 1171 K HA 0.670 4.978 4.320 -0.021 0.000 0.250 1171 K C 0.455 177.061 176.600 0.011 0.000 0.972 1171 K CA 0.526 56.822 56.287 0.015 0.000 0.821 1171 K CB 1.493 34.024 32.500 0.050 0.000 1.249 1171 K HN 2.656 nan 8.250 nan 0.000 0.442 1172 G N 2.054 110.857 108.800 0.004 0.000 2.447 1172 G HA2 -0.144 3.803 3.960 -0.021 0.000 0.220 1172 G HA3 -0.144 3.803 3.960 -0.021 0.000 0.220 1172 G C -1.201 173.703 174.900 0.007 0.000 1.261 1172 G CA -0.913 44.190 45.100 0.004 0.000 1.000 1172 G HN 0.428 nan 8.290 nan 0.000 0.515 1173 L N 1.225 122.457 121.223 0.015 0.000 2.342 1173 L HA 0.390 4.717 4.340 -0.021 0.000 0.285 1173 L C 1.051 177.945 176.870 0.042 0.000 1.095 1173 L CA -0.513 54.343 54.840 0.028 0.000 0.843 1173 L CB 0.408 42.486 42.059 0.031 0.000 1.201 1173 L HN 0.379 nan 8.230 nan 0.000 0.445 1174 L N 5.989 127.244 121.223 0.052 0.000 2.525 1174 L HA 0.122 4.450 4.340 -0.021 0.000 0.278 1174 L C -1.570 175.376 176.870 0.126 0.000 1.218 1174 L CA -1.362 53.529 54.840 0.085 0.000 0.878 1174 L CB -0.042 42.087 42.059 0.117 0.000 1.127 1174 L HN 0.436 nan 8.230 nan 0.000 0.492 1175 P HA 0.088 nan 4.420 nan 0.000 0.282 1175 P C 0.870 178.376 177.300 0.343 0.000 1.274 1175 P CA -0.395 62.855 63.100 0.251 0.000 0.770 1175 P CB 1.725 33.571 31.700 0.242 0.000 0.867 1176 V N 5.172 125.233 119.914 0.245 0.000 2.282 1176 V HA -0.273 3.835 4.120 -0.021 0.000 0.249 1176 V C 2.493 178.695 176.094 0.181 0.000 1.057 1176 V CA 1.950 64.348 62.300 0.163 0.000 1.032 1176 V CB -0.929 30.936 31.823 0.069 0.000 0.645 1176 V HN 0.599 nan 8.190 nan 0.000 0.447 1177 R N -1.307 119.338 120.500 0.243 0.000 2.355 1177 R HA -0.157 4.170 4.340 -0.021 0.000 0.219 1177 R C 1.678 177.990 176.300 0.019 0.000 1.107 1177 R CA 1.258 57.408 56.100 0.084 0.000 1.021 1177 R CB -0.174 30.041 30.300 -0.141 0.000 0.852 1177 R HN 0.604 nan 8.270 nan 0.000 0.475 1178 W N -0.485 120.960 121.300 0.241 0.000 2.870 1178 W HA 0.291 4.939 4.660 -0.020 0.000 0.358 1178 W C 0.054 176.775 176.519 0.335 0.000 1.043 1178 W CA -0.551 56.981 57.345 0.311 0.000 1.692 1178 W CB 0.367 29.980 29.460 0.255 0.000 1.100 1178 W HN -0.007 nan 8.180 nan 0.000 0.557 1179 M N 1.345 121.155 119.600 0.350 0.000 2.235 1179 M HA 0.090 4.557 4.480 -0.021 0.000 0.351 1179 M C 1.111 177.186 176.300 -0.375 0.000 1.178 1179 M CA 0.348 55.697 55.300 0.080 0.000 1.143 1179 M CB 1.161 33.779 32.600 0.031 0.000 1.530 1179 M HN -0.254 nan 8.290 nan 0.000 0.461 1180 S N 2.273 117.564 115.700 -0.682 0.000 2.603 1180 S HA 0.279 4.737 4.470 -0.021 0.000 0.268 1180 S C -2.181 171.812 174.600 -1.012 0.000 1.317 1180 S CA -1.181 56.171 58.200 -1.413 0.000 1.012 1180 S CB 0.665 63.348 63.200 -0.861 0.000 0.926 1180 S HN 0.425 nan 8.310 nan 0.000 0.539 1181 P HA -0.187 nan 4.420 nan 0.000 0.215 1181 P C 1.683 178.647 177.300 -0.560 0.000 1.157 1181 P CA 1.523 64.163 63.100 -0.767 0.000 0.874 1181 P CB -0.065 31.033 31.700 -1.003 0.000 0.790 1182 E N -0.582 119.273 120.200 -0.575 0.000 2.204 1182 E HA -0.099 4.238 4.350 -0.021 0.000 0.194 1182 E C 1.669 178.028 176.600 -0.402 0.000 0.989 1182 E CA 1.370 57.529 56.400 -0.402 0.000 0.824 1182 E CB -1.108 28.392 29.700 -0.334 0.000 0.756 1182 E HN 0.157 nan 8.360 nan 0.000 0.477 1183 S N 1.175 116.552 115.700 -0.539 0.000 2.371 1183 S HA 0.029 4.487 4.470 -0.021 0.000 0.224 1183 S C 2.134 176.497 174.600 -0.395 0.000 1.029 1183 S CA 0.795 58.581 58.200 -0.690 0.000 0.978 1183 S CB -0.192 62.422 63.200 -0.977 0.000 0.833 1183 S HN 0.203 nan 8.310 nan 0.000 0.466 1184 L N 1.066 122.095 121.223 -0.323 0.000 2.072 1184 L HA -0.038 4.289 4.340 -0.021 0.000 0.205 1184 L C 2.526 179.305 176.870 -0.152 0.000 1.079 1184 L CA 1.178 55.901 54.840 -0.195 0.000 0.752 1184 L CB -0.351 41.586 42.059 -0.203 0.000 0.906 1184 L HN 0.232 nan 8.230 nan 0.000 0.436 1185 K N -0.169 120.122 120.400 -0.182 0.000 2.021 1185 K HA -0.116 4.192 4.320 -0.021 0.000 0.205 1185 K C 1.038 177.577 176.600 -0.102 0.000 1.047 1185 K CA 1.524 57.735 56.287 -0.126 0.000 0.943 1185 K CB 0.237 32.660 32.500 -0.128 0.000 0.725 1185 K HN 0.226 nan 8.250 nan 0.000 0.439 1186 D N -1.602 118.721 120.400 -0.128 0.000 2.433 1186 D HA 0.117 4.745 4.640 -0.021 0.000 0.211 1186 D C 0.484 176.738 176.300 -0.076 0.000 1.114 1186 D CA 0.676 54.622 54.000 -0.090 0.000 0.837 1186 D CB 1.220 41.969 40.800 -0.085 0.000 0.984 1186 D HN 0.492 nan 8.370 nan 0.000 0.505 1187 G N 1.429 110.158 108.800 -0.118 0.000 2.160 1187 G HA2 -0.277 3.670 3.960 -0.021 0.000 0.251 1187 G HA3 -0.277 3.670 3.960 -0.021 0.000 0.251 1187 G C 0.324 175.199 174.900 -0.041 0.000 1.008 1187 G CA 0.138 45.217 45.100 -0.035 0.000 0.724 1187 G HN 0.273 nan 8.290 nan 0.000 0.514 1188 V N 0.558 120.336 119.914 -0.226 0.000 2.432 1188 V HA 0.646 4.754 4.120 -0.021 0.000 0.271 1188 V C 0.058 175.915 176.094 -0.395 0.000 1.046 1188 V CA -0.172 62.030 62.300 -0.163 0.000 0.945 1188 V CB 0.753 32.498 31.823 -0.130 0.000 0.992 1188 V HN 0.228 nan 8.190 nan 0.000 0.471 1189 F N 3.393 123.324 119.950 -0.032 0.000 2.493 1189 F HA 0.714 5.229 4.527 -0.020 0.000 0.329 1189 F C 0.524 176.258 175.800 -0.109 0.000 1.126 1189 F CA -0.367 57.597 58.000 -0.059 0.000 0.937 1189 F CB 2.273 41.237 39.000 -0.059 0.000 1.146 1189 F HN 0.601 nan 8.300 nan 0.000 0.442 1190 T N -2.694 111.844 114.554 -0.027 0.000 2.696 1190 T HA 0.209 4.547 4.350 -0.021 0.000 0.291 1190 T C 0.748 175.264 174.700 -0.307 0.000 1.095 1190 T CA -0.047 61.890 62.100 -0.271 0.000 1.026 1190 T CB 1.322 69.951 68.868 -0.398 0.000 1.390 1190 T HN 0.485 nan 8.240 nan 0.000 0.513 1191 T N -0.904 113.306 114.554 -0.574 0.000 2.803 1191 T HA -0.140 4.198 4.350 -0.021 0.000 0.269 1191 T C 1.302 175.891 174.700 -0.186 0.000 1.052 1191 T CA 1.779 63.666 62.100 -0.356 0.000 1.136 1191 T CB -0.896 67.706 68.868 -0.443 0.000 0.864 1191 T HN 0.584 nan 8.240 nan 0.000 0.467 1192 Y N 2.145 122.402 120.300 -0.071 0.000 2.242 1192 Y HA 0.028 4.566 4.550 -0.020 0.000 0.291 1192 Y C 3.123 179.042 175.900 0.031 0.000 1.137 1192 Y CA 0.863 58.930 58.100 -0.054 0.000 1.181 1192 Y CB -1.177 37.251 38.460 -0.054 0.000 0.989 1192 Y HN 0.412 nan 8.280 nan 0.000 0.527 1193 S N -0.916 114.879 115.700 0.159 0.000 2.489 1193 S HA -0.110 4.347 4.470 -0.021 0.000 0.228 1193 S C 1.388 176.163 174.600 0.291 0.000 0.995 1193 S CA 1.043 59.342 58.200 0.166 0.000 0.934 1193 S CB -0.245 62.943 63.200 -0.020 0.000 0.771 1193 S HN 0.291 nan 8.310 nan 0.000 0.522 1194 D N 1.570 122.123 120.400 0.256 0.000 2.149 1194 D HA 0.048 4.675 4.640 -0.021 0.000 0.201 1194 D C 1.985 178.574 176.300 0.482 0.000 0.972 1194 D CA 0.589 54.814 54.000 0.374 0.000 0.835 1194 D CB -0.254 40.780 40.800 0.390 0.000 0.966 1194 D HN 0.300 nan 8.370 nan 0.000 0.476 1195 V N 0.867 120.897 119.914 0.194 0.000 2.427 1195 V HA -0.169 3.939 4.120 -0.021 0.000 0.248 1195 V C 2.140 178.408 176.094 0.289 0.000 1.051 1195 V CA 1.079 63.353 62.300 -0.044 0.000 1.048 1195 V CB -0.382 31.240 31.823 -0.335 0.000 0.666 1195 V HN 0.402 nan 8.190 nan 0.000 0.456 1196 W N 1.264 122.683 121.300 0.198 0.000 2.333 1196 W HA -0.220 4.427 4.660 -0.021 0.000 0.316 1196 W C 2.465 179.236 176.519 0.421 0.000 1.215 1196 W CA 2.182 59.715 57.345 0.313 0.000 1.278 1196 W CB -0.675 28.920 29.460 0.225 0.000 1.154 1196 W HN 0.327 nan 8.180 nan 0.000 0.486 1197 S N 0.866 116.995 115.700 0.715 0.000 2.400 1197 S HA -0.239 4.218 4.470 -0.021 0.000 0.232 1197 S C 1.524 176.437 174.600 0.521 0.000 1.025 1197 S CA 1.615 60.204 58.200 0.648 0.000 0.993 1197 S CB -1.019 62.526 63.200 0.575 0.000 0.808 1197 S HN 0.352 nan 8.310 nan 0.000 0.478 1198 F N 2.659 122.810 119.950 0.335 0.000 2.102 1198 F HA -0.015 4.500 4.527 -0.021 0.000 0.298 1198 F C 2.294 178.182 175.800 0.147 0.000 1.105 1198 F CA 1.298 59.462 58.000 0.273 0.000 1.239 1198 F CB -1.033 38.188 39.000 0.368 0.000 0.991 1198 F HN 0.211 nan 8.300 nan 0.000 0.474 1199 G N -0.131 108.671 108.800 0.004 0.000 2.450 1199 G HA2 -0.208 3.740 3.960 -0.021 0.000 0.220 1199 G HA3 -0.208 3.740 3.960 -0.021 0.000 0.220 1199 G C 1.690 176.586 174.900 -0.006 0.000 1.130 1199 G CA 1.198 46.077 45.100 -0.369 0.000 0.760 1199 G HN 0.363 nan 8.290 nan 0.000 0.557 1200 V N 1.108 121.198 119.914 0.294 0.000 2.515 1200 V HA -0.154 3.954 4.120 -0.021 0.000 0.250 1200 V C 3.110 179.386 176.094 0.303 0.000 1.058 1200 V CA 1.623 64.099 62.300 0.294 0.000 1.064 1200 V CB -0.105 31.751 31.823 0.055 0.000 0.675 1200 V HN 0.419 nan 8.190 nan 0.000 0.461 1201 V N -1.844 118.223 119.914 0.254 0.000 2.548 1201 V HA -0.113 3.995 4.120 -0.021 0.000 0.249 1201 V C 2.134 178.269 176.094 0.068 0.000 1.055 1201 V CA 1.503 63.939 62.300 0.227 0.000 1.065 1201 V CB -0.682 31.242 31.823 0.167 0.000 0.681 1201 V HN 0.437 nan 8.190 nan 0.000 0.462 1202 L N -1.426 119.728 121.223 -0.115 0.000 2.083 1202 L HA -0.103 4.224 4.340 -0.021 0.000 0.209 1202 L C 2.419 179.301 176.870 0.021 0.000 1.083 1202 L CA 2.410 57.150 54.840 -0.166 0.000 0.752 1202 L CB -0.525 41.333 42.059 -0.336 0.000 0.899 1202 L HN 0.587 nan 8.230 nan 0.000 0.433 1203 W N 1.089 122.362 121.300 -0.046 0.000 2.436 1203 W HA -0.129 4.519 4.660 -0.021 0.000 0.284 1203 W C 2.348 178.876 176.519 0.014 0.000 1.225 1203 W CA 1.105 58.469 57.345 0.033 0.000 1.271 1203 W CB 0.168 29.718 29.460 0.150 0.000 1.114 1203 W HN 0.071 nan 8.180 nan 0.000 0.559 1204 E N 0.275 120.684 120.200 0.349 0.000 2.047 1204 E HA -0.231 4.107 4.350 -0.021 0.000 0.191 1204 E C 2.121 178.734 176.600 0.021 0.000 0.987 1204 E CA 1.748 58.292 56.400 0.240 0.000 0.799 1204 E CB -0.429 29.481 29.700 0.350 0.000 0.752 1204 E HN 0.327 nan 8.360 nan 0.000 0.449 1205 I N 1.232 121.817 120.570 0.025 0.000 2.127 1205 I HA -0.306 3.851 4.170 -0.021 0.000 0.241 1205 I C 2.559 178.614 176.117 -0.104 0.000 1.075 1205 I CA 1.188 62.477 61.300 -0.018 0.000 1.334 1205 I CB -0.400 37.593 38.000 -0.012 0.000 1.040 1205 I HN 0.087 nan 8.210 nan 0.000 0.405 1206 A N 0.273 122.997 122.820 -0.160 0.000 2.076 1206 A HA -0.186 4.121 4.320 -0.021 0.000 0.220 1206 A C 2.056 179.435 177.584 -0.342 0.000 1.160 1206 A CA 2.168 54.066 52.037 -0.232 0.000 0.653 1206 A CB -0.929 17.927 19.000 -0.241 0.000 0.801 1206 A HN 0.581 nan 8.150 nan 0.000 0.455 1207 T N -3.597 110.684 114.554 -0.454 0.000 3.176 1207 T HA 0.480 4.817 4.350 -0.021 0.000 0.263 1207 T C 0.442 174.982 174.700 -0.267 0.000 1.021 1207 T CA 0.028 61.833 62.100 -0.490 0.000 0.905 1207 T CB -0.507 67.805 68.868 -0.926 0.000 1.057 1207 T HN 0.511 nan 8.240 nan 0.000 0.558 1208 L N 0.671 121.785 121.223 -0.181 0.000 3.739 1208 L HA -0.259 4.068 4.340 -0.021 0.000 0.442 1208 L C 0.841 177.673 176.870 -0.063 0.000 1.241 1208 L CA 0.201 54.973 54.840 -0.113 0.000 0.819 1208 L CB -2.376 39.613 42.059 -0.117 0.000 1.679 1208 L HN 0.826 nan 8.230 nan 0.000 0.889 1209 A N -0.637 122.166 122.820 -0.027 0.000 2.546 1209 A HA -0.181 4.127 4.320 -0.021 0.000 0.295 1209 A C 0.669 178.311 177.584 0.098 0.000 1.455 1209 A CA 1.564 53.649 52.037 0.079 0.000 0.730 1209 A CB -1.065 17.997 19.000 0.104 0.000 1.111 1209 A HN 0.670 nan 8.150 nan 0.000 0.411 1210 E N -0.207 120.033 120.200 0.068 0.000 2.312 1210 E HA 0.340 4.678 4.350 -0.021 0.000 0.259 1210 E C 0.491 177.283 176.600 0.319 0.000 1.122 1210 E CA -0.678 55.801 56.400 0.131 0.000 0.922 1210 E CB 0.592 30.321 29.700 0.049 0.000 1.109 1210 E HN 0.660 nan 8.360 nan 0.000 0.442 1211 Q N 1.806 121.756 119.800 0.250 0.000 2.295 1211 Q HA 0.173 4.500 4.340 -0.021 0.000 0.259 1211 Q C -2.357 173.688 176.000 0.076 0.000 0.976 1211 Q CA -1.898 54.020 55.803 0.193 0.000 0.923 1211 Q CB 0.673 29.495 28.738 0.139 0.000 1.185 1211 Q HN 0.060 nan 8.270 nan 0.000 0.410 1212 P HA -0.069 nan 4.420 nan 0.000 0.268 1212 P C -1.349 175.653 177.300 -0.497 0.000 1.204 1212 P CA 0.420 62.997 63.100 -0.871 0.000 0.768 1212 P CB 0.132 31.172 31.700 -1.100 0.000 0.842 1213 Y N -0.604 119.435 120.300 -0.436 0.000 3.929 1213 Y HA -0.262 4.275 4.550 -0.021 0.000 0.225 1213 Y C 0.910 176.709 175.900 -0.167 0.000 1.200 1213 Y CA 0.420 58.349 58.100 -0.286 0.000 1.791 1213 Y CB -2.731 35.568 38.460 -0.268 0.000 1.561 1213 Y HN 0.447 nan 8.280 nan 0.000 0.657 1214 Q N 0.789 120.578 119.800 -0.018 0.000 2.269 1214 Q HA 0.290 4.617 4.340 -0.021 0.000 0.300 1214 Q C 1.457 177.463 176.000 0.009 0.000 1.070 1214 Q CA 1.528 57.348 55.803 0.029 0.000 0.957 1214 Q CB 0.294 29.073 28.738 0.068 0.000 1.131 1214 Q HN 0.799 nan 8.270 nan 0.000 0.377 1215 G N 3.121 111.926 108.800 0.009 0.000 2.284 1215 G HA2 -0.222 3.725 3.960 -0.021 0.000 0.216 1215 G HA3 -0.222 3.725 3.960 -0.021 0.000 0.216 1215 G C -0.123 174.762 174.900 -0.025 0.000 1.009 1215 G CA -0.048 45.046 45.100 -0.009 0.000 0.625 1215 G HN 0.536 nan 8.290 nan 0.000 0.501 1216 L N 2.167 123.369 121.223 -0.035 0.000 2.360 1216 L HA 0.646 4.973 4.340 -0.021 0.000 0.271 1216 L C 1.270 178.122 176.870 -0.030 0.000 1.057 1216 L CA -0.301 54.505 54.840 -0.058 0.000 0.803 1216 L CB 1.730 43.719 42.059 -0.117 0.000 1.207 1216 L HN 0.435 nan 8.230 nan 0.000 0.445 1217 S N 0.410 116.091 115.700 -0.032 0.000 2.617 1217 S HA 0.159 4.617 4.470 -0.021 0.000 0.269 1217 S C 0.794 175.381 174.600 -0.023 0.000 1.292 1217 S CA -0.740 57.452 58.200 -0.013 0.000 1.010 1217 S CB 0.998 64.191 63.200 -0.011 0.000 0.944 1217 S HN 0.615 nan 8.310 nan 0.000 0.536 1218 N N 1.125 119.824 118.700 -0.001 0.000 2.149 1218 N HA -0.154 4.573 4.740 -0.021 0.000 0.188 1218 N C 1.591 177.084 175.510 -0.028 0.000 1.019 1218 N CA 1.158 54.205 53.050 -0.006 0.000 0.857 1218 N CB -0.342 38.164 38.487 0.033 0.000 0.997 1218 N HN 0.750 nan 8.380 nan 0.000 0.426 1219 E N 1.575 121.765 120.200 -0.018 0.000 2.077 1219 E HA -0.173 4.165 4.350 -0.021 0.000 0.193 1219 E C 1.592 178.173 176.600 -0.031 0.000 0.989 1219 E CA 1.229 57.617 56.400 -0.020 0.000 0.800 1219 E CB 0.085 29.779 29.700 -0.011 0.000 0.746 1219 E HN 0.505 nan 8.360 nan 0.000 0.452 1220 Q N -0.332 119.444 119.800 -0.039 0.000 2.187 1220 Q HA -0.044 4.284 4.340 -0.021 0.000 0.199 1220 Q C 2.340 178.305 176.000 -0.058 0.000 0.957 1220 Q CA 1.009 56.785 55.803 -0.044 0.000 0.857 1220 Q CB 0.185 28.888 28.738 -0.059 0.000 0.929 1220 Q HN 0.123 nan 8.270 nan 0.000 0.453 1221 V N 1.499 121.345 119.914 -0.114 0.000 2.358 1221 V HA -0.231 3.876 4.120 -0.021 0.000 0.246 1221 V C 2.165 178.158 176.094 -0.168 0.000 1.047 1221 V CA 1.119 63.284 62.300 -0.224 0.000 1.035 1221 V CB -0.566 31.046 31.823 -0.352 0.000 0.658 1221 V HN 0.419 nan 8.190 nan 0.000 0.452 1222 L N 0.647 121.802 121.223 -0.114 0.000 1.997 1222 L HA -0.236 4.091 4.340 -0.021 0.000 0.216 1222 L C 2.629 179.453 176.870 -0.077 0.000 1.074 1222 L CA 2.261 57.044 54.840 -0.095 0.000 0.763 1222 L CB -0.964 41.061 42.059 -0.058 0.000 0.890 1222 L HN 0.304 nan 8.230 nan 0.000 0.434 1223 R N -1.698 118.781 120.500 -0.035 0.000 2.062 1223 R HA -0.184 4.144 4.340 -0.021 0.000 0.229 1223 R C 2.160 178.472 176.300 0.020 0.000 1.128 1223 R CA 1.419 57.513 56.100 -0.010 0.000 0.960 1223 R CB -0.573 29.731 30.300 0.007 0.000 0.855 1223 R HN 0.309 nan 8.270 nan 0.000 0.432 1224 F N 1.475 121.350 119.950 -0.126 0.000 2.025 1224 F HA -0.288 4.226 4.527 -0.021 0.000 0.297 1224 F C 2.086 177.822 175.800 -0.107 0.000 1.132 1224 F CA 1.657 59.586 58.000 -0.118 0.000 1.191 1224 F CB -0.675 38.227 39.000 -0.163 0.000 0.963 1224 F HN -0.277 nan 8.300 nan 0.000 0.481 1225 V N 0.740 120.538 119.914 -0.193 0.000 2.332 1225 V HA -0.378 3.729 4.120 -0.021 0.000 0.248 1225 V C 2.544 178.541 176.094 -0.161 0.000 1.055 1225 V CA 2.366 64.512 62.300 -0.255 0.000 1.038 1225 V CB -0.688 30.988 31.823 -0.246 0.000 0.651 1225 V HN 0.452 nan 8.190 nan 0.000 0.450 1226 M N -0.894 118.632 119.600 -0.123 0.000 2.374 1226 M HA -0.142 4.326 4.480 -0.021 0.000 0.264 1226 M C 1.722 178.049 176.300 0.046 0.000 1.067 1226 M CA 1.402 56.682 55.300 -0.034 0.000 1.103 1226 M CB -0.220 32.344 32.600 -0.059 0.000 1.402 1226 M HN 0.369 nan 8.290 nan 0.000 0.444 1227 E N -0.643 119.513 120.200 -0.072 0.000 2.465 1227 E HA 0.108 4.445 4.350 -0.021 0.000 0.191 1227 E C 0.996 177.465 176.600 -0.219 0.000 1.053 1227 E CA 0.246 56.566 56.400 -0.133 0.000 0.869 1227 E CB 0.240 29.871 29.700 -0.115 0.000 0.977 1227 E HN 0.632 nan 8.360 nan 0.000 0.483 1228 G N 0.835 109.543 108.800 -0.154 0.000 2.175 1228 G HA2 -0.241 3.707 3.960 -0.021 0.000 0.244 1228 G HA3 -0.241 3.707 3.960 -0.021 0.000 0.244 1228 G C 0.525 175.261 174.900 -0.273 0.000 0.982 1228 G CA -0.288 44.718 45.100 -0.156 0.000 0.641 1228 G HN 0.466 nan 8.290 nan 0.000 0.527 1229 G N -0.394 108.007 108.800 -0.665 0.000 2.491 1229 G HA2 0.591 4.539 3.960 -0.021 0.000 0.242 1229 G HA3 0.591 4.539 3.960 -0.021 0.000 0.242 1229 G C 0.012 174.484 174.900 -0.713 0.000 1.266 1229 G CA 0.016 44.256 45.100 -1.433 0.000 0.844 1229 G HN 0.748 nan 8.290 nan 0.000 0.571 1230 L N 0.186 121.257 121.223 -0.254 0.000 2.341 1230 L HA 0.465 4.793 4.340 -0.021 0.000 0.254 1230 L C -0.051 176.871 176.870 0.085 0.000 1.040 1230 L CA -1.058 53.738 54.840 -0.074 0.000 0.837 1230 L CB 1.946 43.973 42.059 -0.054 0.000 1.425 1230 L HN 0.308 nan 8.230 nan 0.000 0.414 1231 L N 0.676 121.653 121.223 -0.410 0.000 2.436 1231 L HA 0.174 4.502 4.340 -0.021 0.000 0.265 1231 L C -0.350 176.561 176.870 0.069 0.000 1.168 1231 L CA -0.313 54.242 54.840 -0.475 0.000 0.815 1231 L CB 0.450 41.766 42.059 -1.238 0.000 1.109 1231 L HN 0.464 nan 8.230 nan 0.000 0.462 1232 D N 1.423 121.911 120.400 0.146 0.000 2.362 1232 D HA 0.066 4.694 4.640 -0.021 0.000 0.242 1232 D C 0.024 176.475 176.300 0.251 0.000 1.132 1232 D CA -0.158 53.970 54.000 0.214 0.000 0.907 1232 D CB 0.721 41.600 40.800 0.132 0.000 1.195 1232 D HN 0.250 nan 8.370 nan 0.000 0.429 1233 K N 2.042 122.335 120.400 -0.178 0.000 2.383 1233 K HA 0.173 4.481 4.320 -0.021 0.000 0.286 1233 K C -2.343 174.081 176.600 -0.294 0.000 1.051 1233 K CA -1.221 54.643 56.287 -0.705 0.000 0.974 1233 K CB 0.283 31.995 32.500 -1.313 0.000 0.968 1233 K HN 0.082 nan 8.250 nan 0.000 0.475 1234 P HA -0.094 nan 4.420 nan 0.000 0.266 1234 P C -0.005 177.167 177.300 -0.213 0.000 1.186 1234 P CA -0.116 62.825 63.100 -0.265 0.000 0.767 1234 P CB 0.538 32.004 31.700 -0.390 0.000 0.820 1235 D N 1.661 121.957 120.400 -0.173 0.000 2.268 1235 D HA -0.225 4.403 4.640 -0.021 0.000 0.189 1235 D C 0.298 176.523 176.300 -0.125 0.000 1.010 1235 D CA 1.934 55.855 54.000 -0.132 0.000 0.862 1235 D CB -0.437 40.295 40.800 -0.113 0.000 0.943 1235 D HN 0.499 nan 8.370 nan 0.000 0.451 1236 N N -1.028 117.594 118.700 -0.129 0.000 2.480 1236 N HA 0.135 4.863 4.740 -0.021 0.000 0.281 1236 N C -0.863 174.583 175.510 -0.107 0.000 1.381 1236 N CA -0.237 52.751 53.050 -0.105 0.000 0.903 1236 N CB 0.861 39.296 38.487 -0.086 0.000 1.274 1236 N HN 0.080 nan 8.380 nan 0.000 0.505 1237 C N 1.983 121.203 119.300 -0.134 0.000 2.648 1237 C HA 0.245 4.693 4.460 -0.021 0.000 0.419 1237 C C -1.891 173.062 174.990 -0.063 0.000 1.352 1237 C CA -1.315 57.636 59.018 -0.112 0.000 1.816 1237 C CB -0.281 27.377 27.740 -0.136 0.000 2.598 1237 C HN 0.344 nan 8.230 nan 0.000 0.598 1238 P HA 0.100 nan 4.420 nan 0.000 0.264 1238 P C 0.356 177.672 177.300 0.026 0.000 1.193 1238 P CA 0.384 63.476 63.100 -0.014 0.000 0.763 1238 P CB 0.537 32.226 31.700 -0.019 0.000 0.810 1239 D N 2.327 122.745 120.400 0.030 0.000 2.116 1239 D HA -0.204 4.424 4.640 -0.021 0.000 0.193 1239 D C 1.646 177.993 176.300 0.078 0.000 0.998 1239 D CA 1.392 55.437 54.000 0.074 0.000 0.836 1239 D CB -0.455 40.373 40.800 0.047 0.000 0.951 1239 D HN 0.362 nan 8.370 nan 0.000 0.449 1240 M N 0.144 119.762 119.600 0.030 0.000 2.149 1240 M HA -0.157 4.311 4.480 -0.021 0.000 0.261 1240 M C 1.951 178.247 176.300 -0.007 0.000 1.064 1240 M CA 1.140 56.442 55.300 0.004 0.000 1.102 1240 M CB -0.395 32.199 32.600 -0.010 0.000 1.369 1240 M HN 0.066 nan 8.290 nan 0.000 0.408 1241 L N 0.429 121.657 121.223 0.007 0.000 2.046 1241 L HA -0.160 4.167 4.340 -0.021 0.000 0.208 1241 L C 2.233 179.106 176.870 0.004 0.000 1.077 1241 L CA 1.758 56.592 54.840 -0.011 0.000 0.747 1241 L CB -1.260 40.793 42.059 -0.009 0.000 0.896 1241 L HN 0.363 nan 8.230 nan 0.000 0.432 1242 F N 0.128 120.022 119.950 -0.093 0.000 2.365 1242 F HA -0.126 4.388 4.527 -0.021 0.000 0.300 1242 F C 2.296 178.023 175.800 -0.121 0.000 1.090 1242 F CA 1.060 59.004 58.000 -0.092 0.000 1.408 1242 F CB -0.150 38.833 39.000 -0.029 0.000 1.060 1242 F HN 0.179 nan 8.300 nan 0.000 0.534 1243 E N 0.547 120.660 120.200 -0.144 0.000 2.031 1243 E HA -0.226 4.112 4.350 -0.021 0.000 0.193 1243 E C 2.551 178.971 176.600 -0.299 0.000 0.994 1243 E CA 1.247 57.517 56.400 -0.216 0.000 0.800 1243 E CB -0.935 28.706 29.700 -0.097 0.000 0.752 1243 E HN 0.426 nan 8.360 nan 0.000 0.447 1244 L N 0.349 121.427 121.223 -0.242 0.000 1.971 1244 L HA -0.255 4.073 4.340 -0.021 0.000 0.215 1244 L C 2.755 179.351 176.870 -0.456 0.000 1.072 1244 L CA 1.376 56.067 54.840 -0.248 0.000 0.758 1244 L CB -0.342 41.625 42.059 -0.153 0.000 0.889 1244 L HN 0.192 nan 8.230 nan 0.000 0.433 1245 M N -1.095 118.117 119.600 -0.646 0.000 2.151 1245 M HA -0.341 4.127 4.480 -0.021 0.000 0.256 1245 M C 2.383 177.860 176.300 -1.371 0.000 1.072 1245 M CA 1.970 56.511 55.300 -1.265 0.000 1.090 1245 M CB -0.587 31.282 32.600 -1.219 0.000 1.294 1245 M HN 0.143 nan 8.290 nan 0.000 0.415 1246 R N -0.402 119.541 120.500 -0.929 0.000 2.127 1246 R HA -0.135 4.193 4.340 -0.021 0.000 0.238 1246 R C 2.067 178.176 176.300 -0.320 0.000 1.134 1246 R CA 1.515 57.306 56.100 -0.516 0.000 0.975 1246 R CB -0.284 29.713 30.300 -0.504 0.000 0.865 1246 R HN 0.448 nan 8.270 nan 0.000 0.447 1247 M N -1.023 118.368 119.600 -0.349 0.000 2.193 1247 M HA -0.138 4.330 4.480 -0.021 0.000 0.265 1247 M C 2.230 178.412 176.300 -0.197 0.000 1.071 1247 M CA 1.165 56.338 55.300 -0.212 0.000 1.140 1247 M CB 0.092 32.583 32.600 -0.182 0.000 1.369 1247 M HN 0.202 nan 8.290 nan 0.000 0.423 1248 C N -0.830 118.266 119.300 -0.341 0.000 2.437 1248 C HA -0.105 4.342 4.460 -0.021 0.000 0.283 1248 C C 1.379 176.272 174.990 -0.161 0.000 1.424 1248 C CA 0.145 58.998 59.018 -0.276 0.000 1.782 1248 C CB -1.124 26.383 27.740 -0.387 0.000 1.833 1248 C HN 0.644 nan 8.230 nan 0.000 0.532 1249 W N 0.752 121.871 121.300 -0.303 0.000 3.194 1249 W HA 0.300 4.948 4.660 -0.021 0.000 0.408 1249 W C 0.410 176.941 176.519 0.020 0.000 1.072 1249 W CA -0.662 56.421 57.345 -0.436 0.000 1.953 1249 W CB -1.037 28.012 29.460 -0.684 0.000 1.091 1249 W HN 0.340 nan 8.180 nan 0.000 0.699 1250 Q N 0.295 120.237 119.800 0.235 0.000 2.300 1250 Q HA -0.107 4.221 4.340 -0.021 0.000 0.280 1250 Q C 1.056 177.243 176.000 0.312 0.000 1.033 1250 Q CA 0.188 56.116 55.803 0.208 0.000 0.903 1250 Q CB 0.697 29.488 28.738 0.089 0.000 1.195 1250 Q HN 0.319 nan 8.270 nan 0.000 0.386 1251 Y N 3.228 123.632 120.300 0.173 0.000 2.165 1251 Y HA -0.266 4.271 4.550 -0.020 0.000 0.286 1251 Y C 0.972 176.897 175.900 0.041 0.000 1.155 1251 Y CA 1.751 59.921 58.100 0.117 0.000 1.164 1251 Y CB 0.230 38.711 38.460 0.035 0.000 0.978 1251 Y HN 0.632 nan 8.280 nan 0.000 0.513 1252 N N 0.887 119.677 118.700 0.149 0.000 2.411 1252 N HA 0.098 4.825 4.740 -0.021 0.000 0.259 1252 N C -2.159 173.317 175.510 -0.057 0.000 1.103 1252 N CA -2.059 51.006 53.050 0.025 0.000 0.954 1252 N CB 1.253 39.761 38.487 0.035 0.000 1.085 1252 N HN -0.046 nan 8.380 nan 0.000 0.485 1253 P HA -0.220 nan 4.420 nan 0.000 0.216 1253 P C 0.745 177.746 177.300 -0.498 0.000 1.157 1253 P CA 1.615 64.591 63.100 -0.206 0.000 0.880 1253 P CB 0.247 31.865 31.700 -0.135 0.000 0.791 1254 K N -1.583 118.517 120.400 -0.501 0.000 2.280 1254 K HA -0.052 4.255 4.320 -0.021 0.000 0.202 1254 K C 1.737 178.169 176.600 -0.280 0.000 1.047 1254 K CA 1.141 57.127 56.287 -0.502 0.000 0.942 1254 K CB -0.726 31.601 32.500 -0.288 0.000 0.739 1254 K HN 0.227 nan 8.250 nan 0.000 0.457 1255 M N 0.442 119.936 119.600 -0.178 0.000 2.558 1255 M HA -0.005 4.462 4.480 -0.021 0.000 0.255 1255 M C 0.186 176.436 176.300 -0.083 0.000 1.113 1255 M CA 0.687 55.931 55.300 -0.095 0.000 1.097 1255 M CB 0.087 32.666 32.600 -0.036 0.000 1.426 1255 M HN -0.094 nan 8.290 nan 0.000 0.488 1256 R N 0.927 121.363 120.500 -0.106 0.000 2.500 1256 R HA 0.379 4.706 4.340 -0.021 0.000 0.277 1256 R C -2.211 174.032 176.300 -0.096 0.000 1.026 1256 R CA -1.670 54.384 56.100 -0.075 0.000 1.058 1256 R CB -0.079 30.209 30.300 -0.020 0.000 1.078 1256 R HN 0.055 nan 8.270 nan 0.000 0.509 1257 P HA 0.044 nan 4.420 nan 0.000 0.276 1257 P C -0.693 176.516 177.300 -0.152 0.000 1.252 1257 P CA -0.454 62.584 63.100 -0.105 0.000 0.802 1257 P CB 1.207 32.843 31.700 -0.107 0.000 1.035 1258 S N 0.024 115.661 115.700 -0.105 0.000 2.669 1258 S HA 0.268 4.726 4.470 -0.021 0.000 0.270 1258 S C 1.051 175.523 174.600 -0.214 0.000 1.225 1258 S CA -0.403 57.718 58.200 -0.133 0.000 0.991 1258 S CB -0.035 63.184 63.200 0.032 0.000 0.987 1258 S HN 0.227 nan 8.310 nan 0.000 0.552 1259 F N 0.152 120.069 119.950 -0.054 0.000 2.216 1259 F HA 0.080 4.595 4.527 -0.020 0.000 0.300 1259 F C 1.998 177.774 175.800 -0.041 0.000 1.085 1259 F CA 0.842 58.757 58.000 -0.143 0.000 1.326 1259 F CB -0.689 38.228 39.000 -0.139 0.000 1.027 1259 F HN 0.430 nan 8.300 nan 0.000 0.497 1260 L N -0.484 120.879 121.223 0.234 0.000 2.093 1260 L HA -0.172 4.156 4.340 -0.021 0.000 0.208 1260 L C 2.247 179.208 176.870 0.152 0.000 1.085 1260 L CA 1.355 56.357 54.840 0.270 0.000 0.755 1260 L CB -0.572 41.664 42.059 0.295 0.000 0.904 1260 L HN 0.148 nan 8.230 nan 0.000 0.435 1261 E N -0.008 120.236 120.200 0.074 0.000 2.106 1261 E HA -0.180 4.157 4.350 -0.021 0.000 0.192 1261 E C 2.261 178.843 176.600 -0.032 0.000 0.984 1261 E CA 0.780 57.195 56.400 0.024 0.000 0.806 1261 E CB 0.126 29.826 29.700 -0.000 0.000 0.750 1261 E HN 0.353 nan 8.360 nan 0.000 0.458 1262 I N 1.242 121.774 120.570 -0.064 0.000 2.142 1262 I HA -0.276 3.882 4.170 -0.021 0.000 0.240 1262 I C 2.447 178.505 176.117 -0.098 0.000 1.078 1262 I CA 1.435 62.686 61.300 -0.082 0.000 1.343 1262 I CB -0.866 37.056 38.000 -0.131 0.000 1.046 1262 I HN 0.154 nan 8.210 nan 0.000 0.405 1263 I N 0.289 120.775 120.570 -0.139 0.000 2.127 1263 I HA -0.337 3.821 4.170 -0.021 0.000 0.241 1263 I C 2.853 178.730 176.117 -0.398 0.000 1.075 1263 I CA 1.623 62.740 61.300 -0.306 0.000 1.334 1263 I CB -0.522 37.216 38.000 -0.438 0.000 1.040 1263 I HN 0.216 nan 8.210 nan 0.000 0.405 1264 S N 0.782 116.286 115.700 -0.328 0.000 2.372 1264 S HA -0.269 4.189 4.470 -0.021 0.000 0.227 1264 S C 2.116 176.666 174.600 -0.084 0.000 1.044 1264 S CA 2.313 60.426 58.200 -0.145 0.000 1.050 1264 S CB -0.461 62.779 63.200 0.066 0.000 0.901 1264 S HN 0.619 nan 8.310 nan 0.000 0.447 1265 S N -0.875 114.781 115.700 -0.074 0.000 2.607 1265 S HA 0.158 4.615 4.470 -0.021 0.000 0.224 1265 S C 1.218 175.780 174.600 -0.064 0.000 0.969 1265 S CA 0.509 58.680 58.200 -0.050 0.000 0.927 1265 S CB 0.005 63.180 63.200 -0.043 0.000 0.772 1265 S HN 0.521 nan 8.310 nan 0.000 0.533 1266 I N 0.824 121.330 120.570 -0.107 0.000 4.557 1266 I HA 0.244 4.402 4.170 -0.021 0.000 0.333 1266 I C 1.702 177.731 176.117 -0.146 0.000 1.332 1266 I CA -0.309 60.924 61.300 -0.112 0.000 1.240 1266 I CB 0.207 38.138 38.000 -0.115 0.000 1.312 1266 I HN 0.229 nan 8.210 nan 0.000 0.457 1267 K N 0.096 120.394 120.400 -0.170 0.000 2.127 1267 K HA -0.238 4.070 4.320 -0.021 0.000 0.208 1267 K C 1.452 178.053 176.600 0.002 0.000 1.047 1267 K CA 1.902 58.114 56.287 -0.125 0.000 0.927 1267 K CB -0.400 32.077 32.500 -0.039 0.000 0.716 1267 K HN 0.108 nan 8.250 nan 0.000 0.450 1268 E N 1.229 121.443 120.200 0.022 0.000 2.204 1268 E HA -0.100 4.237 4.350 -0.021 0.000 0.195 1268 E C 1.025 177.630 176.600 0.008 0.000 0.990 1268 E CA 1.127 57.552 56.400 0.042 0.000 0.821 1268 E CB 0.049 29.771 29.700 0.037 0.000 0.750 1268 E HN 0.486 nan 8.360 nan 0.000 0.477 1269 E N -0.527 119.654 120.200 -0.032 0.000 2.437 1269 E HA 0.034 4.372 4.350 -0.021 0.000 0.189 1269 E C 0.058 176.619 176.600 -0.065 0.000 1.054 1269 E CA -0.141 56.235 56.400 -0.040 0.000 0.874 1269 E CB 0.212 29.884 29.700 -0.047 0.000 1.011 1269 E HN 0.160 nan 8.360 nan 0.000 0.474 1270 M N 0.858 120.406 119.600 -0.086 0.000 2.371 1270 M HA 0.222 4.689 4.480 -0.021 0.000 0.301 1270 M C 0.584 176.884 176.300 -0.000 0.000 1.173 1270 M CA -0.321 54.900 55.300 -0.132 0.000 1.020 1270 M CB 0.612 32.999 32.600 -0.355 0.000 1.490 1270 M HN -0.082 nan 8.290 nan 0.000 0.485 1271 E N 1.068 121.295 120.200 0.045 0.000 2.392 1271 E HA 0.056 4.394 4.350 -0.021 0.000 0.256 1271 E C -1.542 175.146 176.600 0.147 0.000 1.145 1271 E CA -1.368 55.090 56.400 0.096 0.000 0.929 1271 E CB 0.197 29.967 29.700 0.118 0.000 0.998 1271 E HN 0.372 nan 8.360 nan 0.000 0.442 1272 P HA -0.112 nan 4.420 nan 0.000 0.217 1272 P C 1.167 178.533 177.300 0.111 0.000 1.150 1272 P CA 1.169 64.325 63.100 0.094 0.000 0.832 1272 P CB 0.086 31.820 31.700 0.056 0.000 0.787 1273 G N -1.160 107.716 108.800 0.126 0.000 2.471 1273 G HA2 -0.274 3.674 3.960 -0.021 0.000 0.219 1273 G HA3 -0.274 3.674 3.960 -0.021 0.000 0.219 1273 G C 1.324 176.320 174.900 0.161 0.000 1.125 1273 G CA 0.022 45.186 45.100 0.108 0.000 0.775 1273 G HN 0.144 nan 8.290 nan 0.000 0.548 1274 F N 1.682 121.705 119.950 0.122 0.000 2.087 1274 F HA -0.206 4.309 4.527 -0.019 0.000 0.299 1274 F C 2.618 178.570 175.800 0.253 0.000 1.100 1274 F CA 2.086 60.215 58.000 0.214 0.000 1.226 1274 F CB -0.162 38.975 39.000 0.229 0.000 0.983 1274 F HN 0.156 nan 8.300 nan 0.000 0.479 1275 R N 0.322 120.906 120.500 0.140 0.000 2.159 1275 R HA -0.189 4.138 4.340 -0.021 0.000 0.237 1275 R C 1.945 178.184 176.300 -0.101 0.000 1.131 1275 R CA 2.016 58.048 56.100 -0.114 0.000 0.982 1275 R CB -0.289 29.768 30.300 -0.406 0.000 0.868 1275 R HN 0.473 nan 8.270 nan 0.000 0.453 1276 E N -0.437 119.716 120.200 -0.078 0.000 2.170 1276 E HA -0.094 4.243 4.350 -0.021 0.000 0.191 1276 E C 1.770 178.297 176.600 -0.122 0.000 0.981 1276 E CA 1.222 57.569 56.400 -0.089 0.000 0.830 1276 E CB 0.351 30.005 29.700 -0.077 0.000 0.775 1276 E HN 0.359 nan 8.360 nan 0.000 0.470 1277 V N -0.880 118.933 119.914 -0.168 0.000 3.565 1277 V HA 0.122 4.229 4.120 -0.021 0.000 0.260 1277 V C 0.947 176.954 176.094 -0.144 0.000 1.231 1277 V CA -0.105 62.038 62.300 -0.263 0.000 1.100 1277 V CB 0.122 31.584 31.823 -0.602 0.000 0.807 1277 V HN 0.099 nan 8.190 nan 0.000 0.454 1278 S N 0.164 115.752 115.700 -0.186 0.000 2.576 1278 S HA 0.284 4.741 4.470 -0.021 0.000 0.276 1278 S C 0.622 175.250 174.600 0.048 0.000 1.339 1278 S CA 0.097 58.197 58.200 -0.167 0.000 1.039 1278 S CB 0.811 63.399 63.200 -1.020 0.000 0.902 1278 S HN 0.486 nan 8.310 nan 0.000 0.516 1279 F N 2.796 122.794 119.950 0.080 0.000 2.206 1279 F HA -0.013 4.501 4.527 -0.022 0.000 0.298 1279 F C 1.892 177.761 175.800 0.116 0.000 1.090 1279 F CA 1.112 59.187 58.000 0.125 0.000 1.323 1279 F CB -0.833 38.304 39.000 0.229 0.000 1.028 1279 F HN 0.837 nan 8.300 nan 0.000 0.492 1280 Y N 0.002 120.191 120.300 -0.184 0.000 2.069 1280 Y HA -0.348 4.190 4.550 -0.021 0.000 0.278 1280 Y C 1.695 177.355 175.900 -0.400 0.000 1.175 1280 Y CA 2.407 60.302 58.100 -0.342 0.000 1.134 1280 Y CB -0.897 37.459 38.460 -0.174 0.000 0.965 1280 Y HN 0.176 nan 8.280 nan 0.000 0.498 1281 Y N 0.465 120.691 120.300 -0.124 0.000 2.471 1281 Y HA 0.091 4.628 4.550 -0.021 0.000 0.286 1281 Y C 1.310 177.098 175.900 -0.187 0.000 1.188 1281 Y CA -0.308 57.695 58.100 -0.162 0.000 1.286 1281 Y CB -0.100 38.333 38.460 -0.045 0.000 1.072 1281 Y HN 0.052 nan 8.280 nan 0.000 0.517 1282 S N -0.539 115.094 115.700 -0.112 0.000 2.645 1282 S HA 0.066 4.524 4.470 -0.021 0.000 0.266 1282 S C 1.100 175.635 174.600 -0.108 0.000 1.258 1282 S CA -0.759 57.394 58.200 -0.079 0.000 0.990 1282 S CB 1.114 64.299 63.200 -0.024 0.000 0.967 1282 S HN 0.238 nan 8.310 nan 0.000 0.556 1283 E N 0.711 120.887 120.200 -0.040 0.000 2.152 1283 E HA -0.130 4.208 4.350 -0.021 0.000 0.192 1283 E C 1.690 178.276 176.600 -0.023 0.000 0.983 1283 E CA 0.866 57.248 56.400 -0.031 0.000 0.818 1283 E CB -0.351 29.349 29.700 -0.001 0.000 0.758 1283 E HN 0.903 nan 8.360 nan 0.000 0.467 1284 E N 1.257 121.471 120.200 0.023 0.000 2.265 1284 E HA -0.141 4.197 4.350 -0.021 0.000 0.196 1284 E C 0.506 177.132 176.600 0.043 0.000 0.996 1284 E CA 0.041 56.514 56.400 0.121 0.000 0.832 1284 E CB 0.036 29.933 29.700 0.328 0.000 0.756 1284 E HN -0.037 nan 8.360 nan 0.000 0.491 1285 N N 1.872 120.414 118.700 -0.264 0.000 2.416 1285 N HA -0.018 4.709 4.740 -0.021 0.000 0.265 1285 N C -0.790 174.605 175.510 -0.192 0.000 1.195 1285 N CA 0.079 52.848 53.050 -0.468 0.000 0.943 1285 N CB 0.246 38.252 38.487 -0.801 0.000 1.115 1285 N HN -0.087 nan 8.380 nan 0.000 0.481 1286 K N 0.000 120.368 120.400 -0.054 0.000 2.780 1286 K HA 0.000 4.308 4.320 -0.021 0.000 0.191 1286 K CA 0.000 56.280 56.287 -0.011 0.000 0.838 1286 K CB 0.000 32.494 32.500 -0.011 0.000 1.064 1286 K HN 0.000 nan 8.250 nan 0.000 0.543