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_A DATA FIRST_RESID 984 DATA SEQUENCE ADVYVPDEWE VAREKITMSR ELGQGSFGMV YEGVAKGVVK DEPETRVAIK DATA SEQUENCE TVNEAASMRE RIEFLNEASV MKEFNCHHVV RLLGVVSQGQ PTLVIMELMT DATA SEQUENCE RGDLKSYLRS LRPEXXXXXV LAPPSLSKMI 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 0.000 177.600 177.584 0.027 0.000 1.274 984 A CA 0.000 52.051 52.037 0.023 0.000 0.836 984 A CB 0.000 19.016 19.000 0.026 0.000 0.831 985 D N -0.150 120.271 120.400 0.035 0.000 2.175 985 D HA 0.575 5.215 4.640 0.001 0.000 0.248 985 D C -1.053 175.276 176.300 0.049 0.000 1.047 985 D CA 0.404 54.430 54.000 0.044 0.000 0.883 985 D CB 1.861 42.694 40.800 0.054 0.000 1.180 985 D HN 0.864 nan 8.370 nan 0.000 0.438 986 V N 3.061 123.008 119.914 0.056 0.000 3.077 986 V HA 0.445 4.566 4.120 0.001 0.000 0.299 986 V C -2.161 173.991 176.094 0.096 0.000 1.276 986 V CA -0.719 61.618 62.300 0.063 0.000 0.993 986 V CB 1.967 33.804 31.823 0.025 0.000 1.076 986 V HN 0.490 nan 8.190 nan 0.000 0.434 987 Y N 5.082 125.376 120.300 -0.010 0.000 2.331 987 Y HA 0.736 5.286 4.550 0.001 0.000 0.334 987 Y C -0.636 175.255 175.900 -0.014 0.000 0.960 987 Y CA -0.696 57.392 58.100 -0.021 0.000 1.130 987 Y CB 1.993 40.439 38.460 -0.024 0.000 1.164 987 Y HN 0.516 nan 8.280 nan 0.000 0.458 988 V N 9.299 128.778 119.914 -0.725 0.000 2.348 988 V HA 0.315 4.436 4.120 0.001 0.000 0.270 988 V C -2.036 173.615 176.094 -0.738 0.000 1.037 988 V CA -1.815 60.171 62.300 -0.523 0.000 0.872 988 V CB 0.604 32.233 31.823 -0.323 0.000 1.002 988 V HN 0.739 nan 8.190 nan 0.000 0.464 989 P HA 0.228 nan 4.420 nan 0.000 0.268 989 P C -0.894 176.362 177.300 -0.072 0.000 1.208 989 P CA 0.077 63.131 63.100 -0.077 0.000 0.777 989 P CB 0.555 32.289 31.700 0.056 0.000 0.875 990 D N -1.369 119.061 120.400 0.050 0.000 2.825 990 D HA 0.078 4.719 4.640 0.001 0.000 0.327 990 D C 0.229 176.593 176.300 0.107 0.000 1.277 990 D CA -0.600 53.441 54.000 0.069 0.000 0.950 990 D CB 0.038 40.901 40.800 0.105 0.000 1.438 990 D HN 0.237 nan 8.370 nan 0.000 0.526 991 E N -1.007 119.227 120.200 0.056 0.000 2.455 991 E HA -0.087 4.264 4.350 0.001 0.000 0.202 991 E C 0.531 177.077 176.600 -0.091 0.000 1.045 991 E CA 0.754 57.124 56.400 -0.050 0.000 0.872 991 E CB -0.211 29.402 29.700 -0.145 0.000 0.792 991 E HN 0.412 nan 8.360 nan 0.000 0.542 992 W N 1.526 122.824 121.300 -0.004 0.000 2.905 992 W HA 0.046 4.707 4.660 0.001 0.000 0.251 992 W C 0.966 177.489 176.519 0.007 0.000 1.305 992 W CA -0.289 57.054 57.345 -0.003 0.000 1.465 992 W CB 0.197 29.655 29.460 -0.003 0.000 1.122 992 W HN -0.067 nan 8.180 nan 0.000 0.659 993 E N 0.859 121.184 120.200 0.208 0.000 2.415 993 E HA 0.203 4.553 4.350 0.001 0.000 0.262 993 E C -0.360 176.289 176.600 0.081 0.000 1.038 993 E CA 0.192 56.676 56.400 0.139 0.000 0.921 993 E CB 0.595 30.363 29.700 0.114 0.000 0.950 993 E HN -0.085 nan 8.360 nan 0.000 0.438 994 V N 0.968 120.922 119.914 0.068 0.000 2.925 994 V HA 0.777 4.897 4.120 0.001 0.000 0.311 994 V C -0.260 175.852 176.094 0.029 0.000 1.104 994 V CA -1.002 61.322 62.300 0.040 0.000 0.954 994 V CB 1.567 33.415 31.823 0.041 0.000 1.022 994 V HN 0.817 nan 8.190 nan 0.000 0.427 995 A N 3.396 126.226 122.820 0.016 0.000 2.492 995 A HA 0.392 4.712 4.320 0.001 0.000 0.254 995 A C 1.319 178.908 177.584 0.008 0.000 1.091 995 A CA 0.036 52.080 52.037 0.011 0.000 0.768 995 A CB -0.035 18.968 19.000 0.004 0.000 1.028 995 A HN 1.119 nan 8.150 nan 0.000 0.498 996 R N 2.244 122.748 120.500 0.006 0.000 2.341 996 R HA -0.115 4.226 4.340 0.001 0.000 0.213 996 R C 0.620 176.915 176.300 -0.008 0.000 1.082 996 R CA 1.388 57.487 56.100 -0.002 0.000 1.017 996 R CB -0.065 30.232 30.300 -0.005 0.000 0.860 996 R HN 0.801 nan 8.270 nan 0.000 0.473 997 E N 1.714 121.911 120.200 -0.006 0.000 2.435 997 E HA -0.070 4.281 4.350 0.001 0.000 0.195 997 E C 0.909 177.504 176.600 -0.009 0.000 1.029 997 E CA 0.512 56.907 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 0.421 nan 8.360 nan 0.000 0.510 998 K N 0.571 120.968 120.400 -0.005 0.000 2.393 998 K HA 0.179 4.499 4.320 0.001 0.000 0.193 998 K C 0.380 176.978 176.600 -0.004 0.000 1.026 998 K CA 0.065 56.350 56.287 -0.004 0.000 1.064 998 K CB 0.628 33.127 32.500 -0.002 0.000 0.833 998 K HN 0.083 nan 8.250 nan 0.000 0.521 999 I N 1.870 122.436 120.570 -0.006 0.000 2.460 999 I HA 0.183 4.354 4.170 0.001 0.000 0.298 999 I C 0.306 176.409 176.117 -0.022 0.000 0.989 999 I CA -0.491 60.804 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 -0.060 nan 8.210 nan 0.000 0.456 1000 T N 3.347 117.887 114.554 -0.023 0.000 2.952 1000 T HA 0.700 5.050 4.350 0.001 0.000 0.305 1000 T C -0.714 173.961 174.700 -0.040 0.000 1.064 1000 T CA -0.864 61.214 62.100 -0.037 0.000 1.008 1000 T CB 1.617 70.470 68.868 -0.025 0.000 1.078 1000 T HN 0.423 nan 8.240 nan 0.000 0.459 1001 M N 3.195 122.748 119.600 -0.078 0.000 2.227 1001 M HA 0.383 4.864 4.480 0.001 0.000 0.335 1001 M C 1.137 177.409 176.300 -0.046 0.000 1.053 1001 M CA -0.938 54.313 55.300 -0.081 0.000 0.973 1001 M CB 2.115 34.564 32.600 -0.251 0.000 1.623 1001 M HN 0.902 nan 8.290 nan 0.000 0.434 1002 S N 2.987 118.695 115.700 0.013 0.000 2.371 1002 S HA 0.196 4.666 4.470 0.001 0.000 0.219 1002 S C 0.672 175.311 174.600 0.065 0.000 1.040 1002 S CA 0.025 58.241 58.200 0.026 0.000 0.958 1002 S CB 0.139 63.356 63.200 0.028 0.000 0.860 1002 S HN 0.816 nan 8.310 nan 0.000 0.487 1003 R N 0.568 121.140 120.500 0.120 0.000 2.734 1003 R HA 0.508 4.849 4.340 0.001 0.000 0.271 1003 R C -1.791 174.652 176.300 0.238 0.000 1.021 1003 R CA -0.860 55.338 56.100 0.163 0.000 0.893 1003 R CB 0.919 31.272 30.300 0.088 0.000 1.244 1003 R HN 0.124 nan 8.270 nan 0.000 0.464 1004 E N 0.699 121.002 120.200 0.172 0.000 2.390 1004 E HA 0.146 4.496 4.350 0.001 0.000 0.261 1004 E C 0.262 176.830 176.600 -0.053 0.000 1.076 1004 E CA -0.124 56.242 56.400 -0.056 0.000 0.905 1004 E CB 1.091 30.693 29.700 -0.164 0.000 0.984 1004 E HN 0.432 nan 8.360 nan 0.000 0.427 1005 L N 0.653 121.811 121.223 -0.109 0.000 2.547 1005 L HA 0.357 4.698 4.340 0.001 0.000 0.218 1005 L C 0.843 177.672 176.870 -0.068 0.000 1.048 1005 L CA 0.224 55.033 54.840 -0.053 0.000 0.859 1005 L CB 0.575 42.619 42.059 -0.025 0.000 1.128 1005 L HN 0.696 nan 8.230 nan 0.000 0.483 1006 G N -0.081 108.648 108.800 -0.119 0.000 2.376 1006 G HA2 0.207 4.167 3.960 0.001 0.000 0.302 1006 G HA3 0.207 4.167 3.960 0.001 0.000 0.302 1006 G C -1.833 173.001 174.900 -0.110 0.000 1.586 1006 G CA -0.695 44.349 45.100 -0.093 0.000 0.907 1006 G HN -0.101 nan 8.290 nan 0.000 0.655 1007 Q N 0.222 119.970 119.800 -0.087 0.000 2.364 1007 Q HA 0.582 4.923 4.340 0.001 0.000 0.267 1007 Q C 0.679 176.657 176.000 -0.036 0.000 0.999 1007 Q CA 1.018 56.777 55.803 -0.074 0.000 0.886 1007 Q CB 0.985 29.689 28.738 -0.057 0.000 1.243 1007 Q HN 1.150 nan 8.270 nan 0.000 0.415 1008 G N 1.153 109.944 108.800 -0.016 0.000 3.016 1008 G HA2 0.350 4.310 3.960 0.001 0.000 0.270 1008 G HA3 0.350 4.310 3.960 0.001 0.000 0.270 1008 G C 0.010 174.920 174.900 0.017 0.000 1.352 1008 G CA -0.274 44.844 45.100 0.032 0.000 1.060 1008 G HN 0.667 nan 8.290 nan 0.000 0.538 1009 S N -0.902 114.821 115.700 0.038 0.000 2.383 1009 S HA -0.029 4.441 4.470 0.001 0.000 0.227 1009 S C 1.645 176.096 174.600 -0.249 0.000 1.026 1009 S CA 1.316 59.447 58.200 -0.115 0.000 0.981 1009 S CB -0.262 62.845 63.200 -0.156 0.000 0.818 1009 S HN 0.410 nan 8.310 nan 0.000 0.472 1010 F N 0.745 120.690 119.950 -0.008 0.000 2.717 1010 F HA 0.437 4.964 4.527 0.001 0.000 0.295 1010 F C 1.361 177.068 175.800 -0.156 0.000 1.117 1010 F CA 0.353 58.297 58.000 -0.093 0.000 1.361 1010 F CB 0.539 39.437 39.000 -0.171 0.000 1.112 1010 F HN 0.297 nan 8.300 nan 0.000 0.594 1011 G N -0.354 108.470 108.800 0.039 0.000 2.324 1011 G HA2 0.286 4.247 3.960 0.001 0.000 0.293 1011 G HA3 0.286 4.247 3.960 0.001 0.000 0.293 1011 G C -1.560 173.316 174.900 -0.038 0.000 1.297 1011 G CA -1.163 43.924 45.100 -0.021 0.000 0.853 1011 G HN -0.140 nan 8.290 nan 0.000 0.535 1012 M N 0.614 120.165 119.600 -0.081 0.000 2.248 1012 M HA 0.505 4.985 4.480 0.001 0.000 0.345 1012 M C -0.127 176.004 176.300 -0.280 0.000 1.243 1012 M CA 0.029 55.185 55.300 -0.239 0.000 1.090 1012 M CB 0.768 33.129 32.600 -0.397 0.000 1.683 1012 M HN 0.458 nan 8.290 nan 0.000 0.450 1013 V N 7.161 126.889 119.914 -0.310 0.000 2.435 1013 V HA 0.452 4.572 4.120 0.001 0.000 0.290 1013 V C -0.776 175.132 176.094 -0.310 0.000 1.030 1013 V CA -0.490 61.714 62.300 -0.159 0.000 0.881 1013 V CB 0.920 32.717 31.823 -0.043 0.000 0.983 1013 V HN 0.826 nan 8.190 nan 0.000 0.445 1014 Y N 1.474 121.787 120.300 0.022 0.000 2.650 1014 Y HA 0.602 5.153 4.550 0.001 0.000 0.331 1014 Y C 0.298 176.207 175.900 0.015 0.000 1.082 1014 Y CA -0.921 57.188 58.100 0.015 0.000 1.171 1014 Y CB 1.376 39.842 38.460 0.010 0.000 1.326 1014 Y HN 0.548 nan 8.280 nan 0.000 0.513 1015 E N -0.081 120.244 120.200 0.208 0.000 2.221 1015 E HA 0.685 5.035 4.350 0.001 0.000 0.268 1015 E C -0.630 176.029 176.600 0.097 0.000 0.933 1015 E CA -0.525 55.942 56.400 0.111 0.000 0.809 1015 E CB 1.971 31.714 29.700 0.072 0.000 1.190 1015 E HN 0.867 nan 8.360 nan 0.000 0.406 1016 G N 0.706 109.540 108.800 0.058 0.000 2.435 1016 G HA2 0.400 4.361 3.960 0.001 0.000 0.296 1016 G HA3 0.400 4.361 3.960 0.001 0.000 0.296 1016 G C -1.598 173.315 174.900 0.022 0.000 1.240 1016 G CA -0.325 44.795 45.100 0.033 0.000 0.872 1016 G HN 0.446 nan 8.290 nan 0.000 0.480 1017 V N -0.038 119.883 119.914 0.011 0.000 2.841 1017 V HA 0.832 4.953 4.120 0.001 0.000 0.310 1017 V C -0.117 175.981 176.094 0.007 0.000 1.090 1017 V CA -0.210 62.096 62.300 0.009 0.000 0.930 1017 V CB 1.540 33.366 31.823 0.005 0.000 1.014 1017 V HN 1.709 nan 8.190 nan 0.000 0.425 1018 A N 3.618 126.443 122.820 0.009 0.000 2.356 1018 A HA 0.775 5.095 4.320 0.001 0.000 0.310 1018 A C -0.602 176.985 177.584 0.005 0.000 1.075 1018 A CA -0.794 51.249 52.037 0.009 0.000 0.746 1018 A CB 1.259 20.270 19.000 0.018 0.000 1.221 1018 A HN 0.744 nan 8.150 nan 0.000 0.443 1019 K N 1.009 121.410 120.400 0.001 0.000 2.201 1019 K HA 0.485 4.805 4.320 0.001 0.000 0.278 1019 K C 0.767 177.364 176.600 -0.006 0.000 1.027 1019 K CA 0.304 56.590 56.287 -0.003 0.000 0.909 1019 K CB 1.304 33.801 32.500 -0.005 0.000 1.062 1019 K HN 1.586 nan 8.250 nan 0.000 0.465 1020 G N 1.465 110.260 108.800 -0.009 0.000 2.323 1020 G HA2 -0.240 3.720 3.960 0.001 0.000 0.292 1020 G HA3 -0.240 3.720 3.960 0.001 0.000 0.292 1020 G C 0.463 175.352 174.900 -0.019 0.000 1.040 1020 G CA 0.529 45.620 45.100 -0.016 0.000 0.942 1020 G HN 0.526 nan 8.290 nan 0.000 0.506 1021 V N -4.047 115.860 119.914 -0.010 0.000 3.643 1021 V HA 0.604 4.725 4.120 0.001 0.000 0.280 1021 V C 0.870 176.957 176.094 -0.012 0.000 1.351 1021 V CA 0.479 62.774 62.300 -0.007 0.000 1.073 1021 V CB 0.711 32.544 31.823 0.017 0.000 0.863 1021 V HN 0.458 nan 8.190 nan 0.000 0.436 1022 V N 1.161 121.067 119.914 -0.012 0.000 2.680 1022 V HA 0.375 4.496 4.120 0.001 0.000 0.309 1022 V C 0.027 176.109 176.094 -0.020 0.000 1.052 1022 V CA -1.178 61.114 62.300 -0.012 0.000 0.908 1022 V CB 2.026 33.848 31.823 -0.001 0.000 1.001 1022 V HN 0.435 nan 8.190 nan 0.000 0.431 1023 K N 3.043 123.428 120.400 -0.025 0.000 2.472 1023 K HA 0.002 4.322 4.320 0.001 0.000 0.280 1023 K C 0.012 176.600 176.600 -0.019 0.000 1.028 1023 K CA 0.427 56.697 56.287 -0.027 0.000 1.045 1023 K CB 0.042 32.525 32.500 -0.028 0.000 0.902 1023 K HN 0.791 nan 8.250 nan 0.000 0.478 1024 D N 2.445 122.833 120.400 -0.020 0.000 2.911 1024 D HA -0.179 4.461 4.640 0.001 0.000 0.227 1024 D C -0.943 175.350 176.300 -0.011 0.000 1.164 1024 D CA 1.170 55.161 54.000 -0.015 0.000 0.782 1024 D CB -0.818 39.974 40.800 -0.014 0.000 1.094 1024 D HN 0.698 nan 8.370 nan 0.000 0.425 1025 E N -0.788 119.405 120.200 -0.011 0.000 2.331 1025 E HA 0.199 4.550 4.350 0.001 0.000 0.243 1025 E C -1.852 174.743 176.600 -0.008 0.000 0.925 1025 E CA -1.911 54.484 56.400 -0.007 0.000 0.760 1025 E CB 1.589 31.286 29.700 -0.004 0.000 1.254 1025 E HN -0.152 nan 8.360 nan 0.000 0.419 1026 P HA -0.187 nan 4.420 nan 0.000 0.216 1026 P C -0.528 176.769 177.300 -0.005 0.000 1.157 1026 P CA 1.458 64.554 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 -2.799 117.399 120.200 -0.003 0.000 2.393 1027 E HA 0.524 4.875 4.350 0.001 0.000 0.273 1027 E C -0.981 175.620 176.600 0.002 0.000 0.918 1027 E CA -0.661 55.739 56.400 -0.001 0.000 0.773 1027 E CB 2.269 31.969 29.700 -0.000 0.000 1.275 1027 E HN -0.287 nan 8.360 nan 0.000 0.451 1028 T N 1.147 115.704 114.554 0.004 0.000 2.952 1028 T HA 0.352 4.702 4.350 0.001 0.000 0.305 1028 T C -0.771 173.935 174.700 0.009 0.000 1.064 1028 T CA -0.847 61.257 62.100 0.007 0.000 1.008 1028 T CB 1.217 70.091 68.868 0.009 0.000 1.078 1028 T HN 0.256 nan 8.240 nan 0.000 0.459 1029 R N 1.514 122.019 120.500 0.008 0.000 2.438 1029 R HA 0.664 5.005 4.340 0.001 0.000 0.287 1029 R C 0.049 176.358 176.300 0.014 0.000 1.077 1029 R CA -0.546 55.560 56.100 0.010 0.000 1.034 1029 R CB 0.680 30.984 30.300 0.006 0.000 0.993 1029 R HN 0.510 nan 8.270 nan 0.000 0.459 1030 V N -1.557 118.370 119.914 0.021 0.000 3.182 1030 V HA 0.878 4.998 4.120 0.001 0.000 0.308 1030 V C -0.935 175.182 176.094 0.038 0.000 1.240 1030 V CA -1.352 60.963 62.300 0.026 0.000 1.063 1030 V CB 1.984 33.826 31.823 0.031 0.000 1.076 1030 V HN 0.780 nan 8.190 nan 0.000 0.446 1031 A N 1.986 124.831 122.820 0.041 0.000 2.288 1031 A HA 0.849 5.169 4.320 0.001 0.000 0.320 1031 A C -0.588 177.042 177.584 0.078 0.000 1.217 1031 A CA -0.583 51.488 52.037 0.056 0.000 0.840 1031 A CB 0.547 19.570 19.000 0.038 0.000 1.179 1031 A HN 0.805 nan 8.150 nan 0.000 0.504 1032 I N 3.125 123.770 120.570 0.123 0.000 2.330 1032 I HA 0.247 4.418 4.170 0.001 0.000 0.286 1032 I C -0.076 176.163 176.117 0.203 0.000 1.025 1032 I CA -0.345 61.046 61.300 0.152 0.000 1.197 1032 I CB 0.737 38.830 38.000 0.155 0.000 1.358 1032 I HN 0.582 nan 8.210 nan 0.000 0.467 1033 K N 4.984 125.500 120.400 0.194 0.000 2.234 1033 K HA 0.499 4.819 4.320 0.001 0.000 0.282 1033 K C 0.474 177.232 176.600 0.263 0.000 1.039 1033 K CA -0.287 56.149 56.287 0.249 0.000 0.928 1033 K CB 1.925 34.620 32.500 0.325 0.000 1.039 1033 K HN 0.724 nan 8.250 nan 0.000 0.470 1034 T N -2.100 112.505 114.554 0.086 0.000 2.888 1034 T HA 0.582 4.932 4.350 0.001 0.000 0.288 1034 T C -0.429 174.026 174.700 -0.408 0.000 1.063 1034 T CA -0.813 61.219 62.100 -0.112 0.000 1.010 1034 T CB 1.391 70.306 68.868 0.077 0.000 1.214 1034 T HN 0.157 nan 8.240 nan 0.000 0.533 1035 V N 2.301 121.948 119.914 -0.444 0.000 2.540 1035 V HA 0.481 4.602 4.120 0.001 0.000 0.302 1035 V C 0.291 176.297 176.094 -0.146 0.000 1.035 1035 V CA -1.222 60.853 62.300 -0.374 0.000 0.873 1035 V CB 1.483 33.010 31.823 -0.493 0.000 0.992 1035 V HN 0.999 nan 8.190 nan 0.000 0.428 1036 N N 2.837 121.494 118.700 -0.071 0.000 2.441 1036 N HA -0.001 4.740 4.740 0.001 0.000 0.251 1036 N C 1.472 176.964 175.510 -0.031 0.000 1.242 1036 N CA 0.501 53.531 53.050 -0.033 0.000 0.898 1036 N CB 1.213 39.688 38.487 -0.020 0.000 1.100 1036 N HN 0.944 nan 8.380 nan 0.000 0.443 1037 E N 2.244 122.432 120.200 -0.019 0.000 2.097 1037 E HA -0.253 4.097 4.350 0.001 0.000 0.196 1037 E C 1.390 177.984 176.600 -0.011 0.000 1.000 1037 E CA 1.714 58.105 56.400 -0.015 0.000 0.804 1037 E CB -0.370 29.325 29.700 -0.009 0.000 0.740 1037 E HN 0.592 nan 8.360 nan 0.000 0.454 1038 A N 1.837 124.652 122.820 -0.009 0.000 2.139 1038 A HA 0.036 4.357 4.320 0.001 0.000 0.221 1038 A C 1.571 179.154 177.584 -0.002 0.000 1.159 1038 A CA 1.026 53.060 52.037 -0.006 0.000 0.662 1038 A CB -0.729 18.266 19.000 -0.009 0.000 0.796 1038 A HN 0.483 nan 8.150 nan 0.000 0.463 1039 A N 0.716 123.535 122.820 -0.002 0.000 2.511 1039 A HA 0.473 4.793 4.320 0.001 0.000 0.242 1039 A C 1.062 178.656 177.584 0.016 0.000 1.069 1039 A CA 0.285 52.330 52.037 0.014 0.000 0.763 1039 A CB -0.078 18.932 19.000 0.017 0.000 1.001 1039 A HN 0.985 nan 8.150 nan 0.000 0.498 1040 S N 2.248 117.966 115.700 0.030 0.000 2.632 1040 S HA 0.326 4.796 4.470 0.001 0.000 0.267 1040 S C 1.139 175.759 174.600 0.034 0.000 1.193 1040 S CA 0.362 58.579 58.200 0.029 0.000 1.003 1040 S CB 0.170 63.390 63.200 0.033 0.000 1.073 1040 S HN 0.820 nan 8.310 nan 0.000 0.553 1041 M N 0.703 120.323 119.600 0.033 0.000 2.134 1041 M HA 0.161 4.642 4.480 0.001 0.000 0.262 1041 M C 2.316 178.646 176.300 0.050 0.000 1.076 1041 M CA 1.505 56.826 55.300 0.035 0.000 1.143 1041 M CB -0.948 31.671 32.600 0.032 0.000 1.346 1041 M HN 0.797 nan 8.290 nan 0.000 0.421 1042 R N 0.031 120.565 120.500 0.057 0.000 2.103 1042 R HA -0.218 4.123 4.340 0.001 0.000 0.242 1042 R C 1.933 178.297 176.300 0.107 0.000 1.142 1042 R CA 2.340 58.483 56.100 0.072 0.000 0.960 1042 R CB -0.399 29.940 30.300 0.066 0.000 0.858 1042 R HN 0.587 nan 8.270 nan 0.000 0.439 1043 E N -0.177 120.102 120.200 0.131 0.000 2.031 1043 E HA -0.186 4.164 4.350 0.001 0.000 0.193 1043 E C 2.235 178.951 176.600 0.192 0.000 0.994 1043 E CA 1.286 57.834 56.400 0.247 0.000 0.800 1043 E CB -0.096 29.744 29.700 0.234 0.000 0.752 1043 E HN 0.370 nan 8.360 nan 0.000 0.447 1044 R N 0.419 120.969 120.500 0.083 0.000 2.127 1044 R HA -0.129 4.212 4.340 0.001 0.000 0.238 1044 R C 2.371 178.678 176.300 0.011 0.000 1.134 1044 R CA 1.046 57.151 56.100 0.007 0.000 0.975 1044 R CB -0.333 29.958 30.300 -0.015 0.000 0.865 1044 R HN 0.268 nan 8.270 nan 0.000 0.447 1045 I N 0.417 120.999 120.570 0.020 0.000 2.286 1045 I HA -0.210 3.961 4.170 0.001 0.000 0.245 1045 I C 2.626 178.732 176.117 -0.018 0.000 1.104 1045 I CA 1.067 62.369 61.300 0.003 0.000 1.397 1045 I CB -0.295 37.741 38.000 0.061 0.000 1.072 1045 I HN 0.252 nan 8.210 nan 0.000 0.417 1046 E N 1.158 121.378 120.200 0.033 0.000 2.110 1046 E HA -0.289 4.061 4.350 0.001 0.000 0.193 1046 E C 2.215 178.742 176.600 -0.122 0.000 0.988 1046 E CA 1.397 57.827 56.400 0.050 0.000 0.804 1046 E CB -0.147 29.681 29.700 0.213 0.000 0.745 1046 E HN 0.401 nan 8.360 nan 0.000 0.458 1047 F N 0.939 120.535 119.950 -0.590 0.000 2.095 1047 F HA -0.216 4.312 4.527 0.001 0.000 0.298 1047 F C 1.826 177.285 175.800 -0.568 0.000 1.104 1047 F CA 1.074 58.404 58.000 -1.117 0.000 1.232 1047 F CB -0.327 37.913 39.000 -1.267 0.000 0.987 1047 F HN 0.074 nan 8.300 nan 0.000 0.475 1048 L N 1.059 121.977 121.223 -0.507 0.000 2.017 1048 L HA -0.212 4.128 4.340 0.001 0.000 0.208 1048 L C 2.232 178.859 176.870 -0.405 0.000 1.073 1048 L CA 1.604 56.072 54.840 -0.620 0.000 0.745 1048 L CB -1.597 40.003 42.059 -0.765 0.000 0.894 1048 L HN 0.219 nan 8.230 nan 0.000 0.432 1049 N N -0.686 117.902 118.700 -0.186 0.000 2.309 1049 N HA -0.182 4.559 4.740 0.001 0.000 0.182 1049 N C 1.786 177.210 175.510 -0.142 0.000 1.018 1049 N CA 0.797 53.810 53.050 -0.061 0.000 0.876 1049 N CB 0.106 38.605 38.487 0.019 0.000 0.972 1049 N HN 0.511 nan 8.380 nan 0.000 0.434 1050 E N 0.833 120.911 120.200 -0.204 0.000 2.072 1050 E HA -0.008 4.342 4.350 0.001 0.000 0.190 1050 E C 1.730 178.158 176.600 -0.286 0.000 0.982 1050 E CA 0.644 56.936 56.400 -0.180 0.000 0.803 1050 E CB 0.054 29.687 29.700 -0.113 0.000 0.755 1050 E HN 0.250 nan 8.360 nan 0.000 0.453 1051 A N 0.424 122.975 122.820 -0.448 0.000 2.070 1051 A HA -0.101 4.220 4.320 0.001 0.000 0.220 1051 A C 2.233 179.557 177.584 -0.434 0.000 1.159 1051 A CA 1.398 53.144 52.037 -0.485 0.000 0.656 1051 A CB -0.316 18.280 19.000 -0.674 0.000 0.800 1051 A HN 0.222 nan 8.150 nan 0.000 0.453 1052 S N -0.393 115.084 115.700 -0.371 0.000 2.474 1052 S HA -0.078 4.392 4.470 0.001 0.000 0.235 1052 S C 1.713 176.093 174.600 -0.366 0.000 0.997 1052 S CA 1.050 59.032 58.200 -0.365 0.000 0.949 1052 S CB -0.280 62.798 63.200 -0.204 0.000 0.766 1052 S HN 0.386 nan 8.310 nan 0.000 0.517 1053 V N 2.030 121.763 119.914 -0.302 0.000 2.469 1053 V HA -0.176 3.944 4.120 0.001 0.000 0.251 1053 V C 2.162 178.048 176.094 -0.348 0.000 1.064 1053 V CA 1.299 63.442 62.300 -0.261 0.000 1.066 1053 V CB -0.579 31.151 31.823 -0.154 0.000 0.667 1053 V HN 0.517 nan 8.190 nan 0.000 0.461 1054 M N -0.649 118.712 119.600 -0.399 0.000 2.557 1054 M HA -0.065 4.415 4.480 0.001 0.000 0.259 1054 M C 1.949 178.008 176.300 -0.401 0.000 1.086 1054 M CA 1.149 56.256 55.300 -0.320 0.000 1.096 1054 M CB -1.118 31.256 32.600 -0.378 0.000 1.424 1054 M HN 0.362 nan 8.290 nan 0.000 0.488 1055 K N 0.416 120.450 120.400 -0.610 0.000 2.147 1055 K HA -0.178 4.143 4.320 0.001 0.000 0.205 1055 K C 1.897 178.299 176.600 -0.331 0.000 1.049 1055 K CA 1.131 56.972 56.287 -0.743 0.000 0.936 1055 K CB -0.105 31.866 32.500 -0.881 0.000 0.722 1055 K HN 0.432 nan 8.250 nan 0.000 0.446 1056 E N 0.143 120.022 120.200 -0.535 0.000 2.274 1056 E HA -0.077 4.273 4.350 0.001 0.000 0.194 1056 E C -0.481 175.785 176.600 -0.557 0.000 0.996 1056 E CA 0.391 56.417 56.400 -0.624 0.000 0.840 1056 E CB 0.249 29.356 29.700 -0.989 0.000 0.772 1056 E HN 0.026 nan 8.360 nan 0.000 0.491 1057 F N 0.319 120.293 119.950 0.040 0.000 2.422 1057 F HA 0.404 4.932 4.527 0.001 0.000 0.333 1057 F C -0.061 175.828 175.800 0.148 0.000 1.095 1057 F CA -1.169 56.944 58.000 0.188 0.000 1.038 1057 F CB 1.234 40.365 39.000 0.219 0.000 1.156 1057 F HN -0.228 nan 8.300 nan 0.000 0.483 1058 N N 1.501 120.411 118.700 0.350 0.000 2.653 1058 N HA 0.375 5.115 4.740 0.001 0.000 0.261 1058 N C -1.985 173.402 175.510 -0.204 0.000 1.216 1058 N CA -0.053 53.055 53.050 0.097 0.000 0.784 1058 N CB 0.920 39.487 38.487 0.133 0.000 1.327 1058 N HN 0.773 nan 8.380 nan 0.000 0.539 1059 C N 2.505 121.606 119.300 -0.332 0.000 2.797 1059 C HA 0.436 4.897 4.460 0.001 0.000 0.306 1059 C C 1.658 176.535 174.990 -0.187 0.000 1.207 1059 C CA -0.493 58.238 59.018 -0.478 0.000 1.507 1059 C CB 0.832 28.006 27.740 -0.944 0.000 2.028 1059 C HN 0.980 nan 8.230 nan 0.000 0.475 1060 H N 1.210 120.133 119.070 -0.245 0.000 2.456 1060 H HA 0.006 4.563 4.556 0.001 0.000 0.296 1060 H C 1.026 176.156 175.328 -0.329 0.000 1.079 1060 H CA 2.217 58.089 56.048 -0.294 0.000 1.322 1060 H CB -0.057 29.465 29.762 -0.400 0.000 1.388 1060 H HN 0.853 nan 8.280 nan 0.000 0.538 1061 H N -1.026 118.009 119.070 -0.059 0.000 2.568 1061 H HA 0.367 4.924 4.556 0.001 0.000 0.302 1061 H C -0.745 174.554 175.328 -0.048 0.000 1.065 1061 H CA -0.152 55.861 56.048 -0.059 0.000 1.140 1061 H CB 0.478 30.285 29.762 0.075 0.000 1.474 1061 H HN 0.008 nan 8.280 nan 0.000 0.545 1062 V N 1.193 121.102 119.914 -0.008 0.000 2.623 1062 V HA 0.113 4.233 4.120 0.001 0.000 0.304 1062 V C -0.003 176.085 176.094 -0.010 0.000 1.054 1062 V CA -1.132 61.187 62.300 0.031 0.000 0.882 1062 V CB 2.413 34.267 31.823 0.051 0.000 1.002 1062 V HN -0.017 nan 8.190 nan 0.000 0.424 1063 V N 4.956 124.874 119.914 0.006 0.000 2.617 1063 V HA 0.109 4.230 4.120 0.001 0.000 0.304 1063 V C 0.722 176.798 176.094 -0.029 0.000 1.040 1063 V CA 0.324 62.611 62.300 -0.022 0.000 1.149 1063 V CB 0.331 32.146 31.823 -0.013 0.000 0.914 1063 V HN 0.786 nan 8.190 nan 0.000 0.487 1064 R N 2.977 123.463 120.500 -0.023 0.000 2.428 1064 R HA 0.516 4.856 4.340 0.001 0.000 0.294 1064 R C -0.660 175.637 176.300 -0.005 0.000 1.000 1064 R CA -0.908 55.192 56.100 0.000 0.000 0.960 1064 R CB 1.265 31.584 30.300 0.032 0.000 1.076 1064 R HN 0.591 nan 8.270 nan 0.000 0.475 1065 L N 4.618 125.830 121.223 -0.018 0.000 2.326 1065 L HA 0.217 4.558 4.340 0.001 0.000 0.278 1065 L C -0.119 176.847 176.870 0.160 0.000 1.092 1065 L CA 0.497 55.309 54.840 -0.046 0.000 0.810 1065 L CB 1.065 42.957 42.059 -0.279 0.000 1.153 1065 L HN 0.762 nan 8.230 nan 0.000 0.439 1066 L N 4.372 125.689 121.223 0.157 0.000 2.672 1066 L HA 0.556 4.897 4.340 0.001 0.000 0.236 1066 L C 0.816 177.854 176.870 0.281 0.000 1.092 1066 L CA 0.362 55.333 54.840 0.219 0.000 0.887 1066 L CB 0.246 42.367 42.059 0.103 0.000 1.168 1066 L HN 0.856 nan 8.230 nan 0.000 0.502 1067 G N -0.745 108.209 108.800 0.258 0.000 2.322 1067 G HA2 0.408 4.369 3.960 0.001 0.000 0.295 1067 G HA3 0.408 4.369 3.960 0.001 0.000 0.295 1067 G C -2.271 172.708 174.900 0.131 0.000 1.369 1067 G CA -0.210 45.049 45.100 0.266 0.000 0.821 1067 G HN -0.279 nan 8.290 nan 0.000 0.536 1068 V N -1.098 118.891 119.914 0.124 0.000 3.087 1068 V HA 0.750 4.871 4.120 0.001 0.000 0.306 1068 V C -1.289 174.833 176.094 0.048 0.000 1.187 1068 V CA -0.629 61.693 62.300 0.036 0.000 0.999 1068 V CB 2.236 34.051 31.823 -0.014 0.000 1.049 1068 V HN 1.128 nan 8.190 nan 0.000 0.431 1069 V N 5.395 125.320 119.914 0.018 0.000 2.327 1069 V HA 0.339 4.460 4.120 0.001 0.000 0.272 1069 V C 0.770 176.863 176.094 -0.002 0.000 1.019 1069 V CA 0.501 62.815 62.300 0.024 0.000 0.814 1069 V CB 0.768 32.607 31.823 0.026 0.000 1.040 1069 V HN 1.045 nan 8.190 nan 0.000 0.440 1070 S N 1.979 117.675 115.700 -0.007 0.000 2.492 1070 S HA 0.133 4.604 4.470 0.001 0.000 0.218 1070 S C 0.734 175.346 174.600 0.020 0.000 1.016 1070 S CA -0.134 58.037 58.200 -0.049 0.000 0.916 1070 S CB 0.142 63.297 63.200 -0.076 0.000 0.791 1070 S HN 0.576 nan 8.310 nan 0.000 0.513 1071 Q N 2.305 122.132 119.800 0.045 0.000 2.344 1071 Q HA 0.558 4.899 4.340 0.001 0.000 0.253 1071 Q C 0.484 176.498 176.000 0.022 0.000 1.050 1071 Q CA 0.674 56.502 55.803 0.042 0.000 0.912 1071 Q CB 0.241 29.007 28.738 0.047 0.000 1.258 1071 Q HN 0.669 nan 8.270 nan 0.000 0.443 1072 G N 2.285 111.095 108.800 0.016 0.000 2.629 1072 G HA2 -0.160 3.801 3.960 0.001 0.000 0.686 1072 G HA3 -0.160 3.801 3.960 0.001 0.000 0.686 1072 G C -0.844 174.054 174.900 -0.003 0.000 1.232 1072 G CA -0.974 44.130 45.100 0.006 0.000 0.803 1072 G HN 0.437 nan 8.290 nan 0.000 0.638 1073 Q N 0.754 120.550 119.800 -0.007 0.000 2.313 1073 Q HA 0.497 4.838 4.340 0.001 0.000 0.266 1073 Q C -2.035 173.953 176.000 -0.020 0.000 0.989 1073 Q CA 0.275 56.069 55.803 -0.015 0.000 0.890 1073 Q CB 0.740 29.470 28.738 -0.013 0.000 1.200 1073 Q HN 0.535 nan 8.270 nan 0.000 0.396 1074 P HA -0.079 nan 4.420 nan 0.000 0.014 1074 P C -1.355 175.925 177.300 -0.033 0.000 0.876 1074 P CA 0.125 63.201 63.100 -0.040 0.000 1.035 1074 P CB -0.632 31.045 31.700 -0.040 0.000 1.909 1075 T N 3.530 118.054 114.554 -0.051 0.000 2.792 1075 T HA 0.249 4.600 4.350 0.001 0.000 0.286 1075 T C 0.962 175.687 174.700 0.042 0.000 0.970 1075 T CA 0.579 62.669 62.100 -0.016 0.000 1.187 1075 T CB 0.060 68.901 68.868 -0.045 0.000 0.915 1075 T HN 0.126 nan 8.240 nan 0.000 0.529 1076 L N 3.011 124.305 121.223 0.119 0.000 2.271 1076 L HA 0.892 5.233 4.340 0.001 0.000 0.265 1076 L C -0.456 176.530 176.870 0.192 0.000 1.013 1076 L CA -1.303 53.643 54.840 0.176 0.000 0.820 1076 L CB 1.801 43.909 42.059 0.082 0.000 1.352 1076 L HN 0.237 nan 8.230 nan 0.000 0.443 1077 V N 1.641 121.651 119.914 0.160 0.000 2.697 1077 V HA 0.338 4.459 4.120 0.001 0.000 0.300 1077 V C -1.048 175.067 176.094 0.034 0.000 1.115 1077 V CA -0.278 62.025 62.300 0.005 0.000 0.912 1077 V CB 2.185 33.903 31.823 -0.176 0.000 1.024 1077 V HN 0.389 nan 8.190 nan 0.000 0.431 1078 I N 6.472 127.054 120.570 0.020 0.000 2.315 1078 I HA 0.541 4.712 4.170 0.001 0.000 0.291 1078 I C 0.140 176.268 176.117 0.019 0.000 1.006 1078 I CA 0.040 61.361 61.300 0.036 0.000 1.265 1078 I CB 1.245 39.275 38.000 0.050 0.000 1.387 1078 I HN 0.379 nan 8.210 nan 0.000 0.475 1079 M N 4.095 123.704 119.600 0.016 0.000 2.664 1079 M HA 0.381 4.861 4.480 0.001 0.000 0.314 1079 M C 0.100 176.406 176.300 0.010 0.000 1.200 1079 M CA -0.810 54.489 55.300 -0.001 0.000 0.916 1079 M CB 1.466 34.057 32.600 -0.015 0.000 1.717 1079 M HN 0.554 nan 8.290 nan 0.000 0.470 1080 E N 1.690 121.892 120.200 0.003 0.000 2.452 1080 E HA 0.088 4.439 4.350 0.001 0.000 0.261 1080 E C -1.182 175.415 176.600 -0.005 0.000 0.987 1080 E CA -0.111 56.289 56.400 0.000 0.000 0.926 1080 E CB 0.744 30.438 29.700 -0.011 0.000 0.934 1080 E HN 0.543 nan 8.360 nan 0.000 0.452 1081 L N 5.544 126.764 121.223 -0.005 0.000 2.290 1081 L HA 0.163 4.504 4.340 0.001 0.000 0.284 1081 L C -0.512 176.342 176.870 -0.026 0.000 1.078 1081 L CA -0.327 54.508 54.840 -0.008 0.000 0.815 1081 L CB 0.764 42.821 42.059 -0.003 0.000 1.162 1081 L HN 0.717 nan 8.230 nan 0.000 0.435 1082 M N 4.591 124.174 119.600 -0.028 0.000 2.325 1082 M HA 0.139 4.619 4.480 0.001 0.000 0.305 1082 M C 1.250 177.519 176.300 -0.051 0.000 1.047 1082 M CA -0.407 54.864 55.300 -0.048 0.000 0.981 1082 M CB 0.422 33.000 32.600 -0.037 0.000 1.307 1082 M HN 0.587 nan 8.290 nan 0.000 0.418 1083 T N -0.862 113.652 114.554 -0.066 0.000 2.822 1083 T HA -0.158 4.193 4.350 0.001 0.000 0.270 1083 T C 1.468 176.129 174.700 -0.064 0.000 1.064 1083 T CA 1.296 63.359 62.100 -0.061 0.000 1.131 1083 T CB -0.129 68.694 68.868 -0.075 0.000 0.858 1083 T HN 0.578 nan 8.240 nan 0.000 0.483 1084 R N 1.313 121.750 120.500 -0.104 0.000 2.310 1084 R HA 0.417 4.758 4.340 0.001 0.000 0.202 1084 R C 1.583 177.881 176.300 -0.002 0.000 0.933 1084 R CA 0.217 56.268 56.100 -0.082 0.000 1.054 1084 R CB -0.240 29.922 30.300 -0.231 0.000 0.985 1084 R HN 0.612 nan 8.270 nan 0.000 0.489 1085 G N 2.062 110.860 108.800 -0.003 0.000 2.642 1085 G HA2 -0.277 3.684 3.960 0.001 0.000 0.231 1085 G HA3 -0.277 3.684 3.960 0.001 0.000 0.231 1085 G C -0.796 174.131 174.900 0.045 0.000 1.338 1085 G CA -0.225 44.893 45.100 0.031 0.000 0.883 1085 G HN 0.447 nan 8.290 nan 0.000 0.570 1086 D N 0.019 120.459 120.400 0.067 0.000 2.339 1086 D HA 0.278 4.919 4.640 0.001 0.000 0.245 1086 D C 1.729 178.104 176.300 0.126 0.000 1.115 1086 D CA -0.213 53.834 54.000 0.078 0.000 0.917 1086 D CB 1.553 42.394 40.800 0.069 0.000 1.192 1086 D HN 0.564 nan 8.370 nan 0.000 0.428 1087 L N 1.790 123.090 121.223 0.129 0.000 2.042 1087 L HA -0.216 4.125 4.340 0.001 0.000 0.210 1087 L C 2.475 179.469 176.870 0.206 0.000 1.076 1087 L CA 1.967 56.922 54.840 0.193 0.000 0.749 1087 L CB -0.893 41.261 42.059 0.158 0.000 0.893 1087 L HN 0.644 nan 8.230 nan 0.000 0.432 1088 K N -1.086 119.405 120.400 0.151 0.000 2.009 1088 K HA -0.182 4.139 4.320 0.001 0.000 0.210 1088 K C 2.059 178.730 176.600 0.118 0.000 1.049 1088 K CA 1.928 58.297 56.287 0.136 0.000 0.929 1088 K CB -0.234 32.340 32.500 0.124 0.000 0.714 1088 K HN 0.378 nan 8.250 nan 0.000 0.440 1089 S N -0.025 115.745 115.700 0.117 0.000 2.383 1089 S HA -0.180 4.291 4.470 0.001 0.000 0.229 1089 S C 1.611 176.284 174.600 0.122 0.000 1.030 1089 S CA 1.325 59.586 58.200 0.101 0.000 1.002 1089 S CB -0.479 62.778 63.200 0.094 0.000 0.829 1089 S HN 0.461 nan 8.310 nan 0.000 0.467 1090 Y N 2.125 122.458 120.300 0.055 0.000 2.242 1090 Y HA 0.001 4.551 4.550 0.001 0.000 0.291 1090 Y C 1.749 177.687 175.900 0.064 0.000 1.137 1090 Y CA 1.038 59.177 58.100 0.066 0.000 1.181 1090 Y CB -0.435 38.074 38.460 0.080 0.000 0.989 1090 Y HN 0.147 nan 8.280 nan 0.000 0.527 1091 L N -0.179 120.976 121.223 -0.114 0.000 2.072 1091 L HA -0.167 4.174 4.340 0.001 0.000 0.205 1091 L C 2.575 179.350 176.870 -0.158 0.000 1.079 1091 L CA 1.135 55.856 54.840 -0.198 0.000 0.752 1091 L CB -0.502 41.542 42.059 -0.026 0.000 0.906 1091 L HN 0.087 nan 8.230 nan 0.000 0.436 1092 R N -0.364 120.097 120.500 -0.065 0.000 2.152 1092 R HA -0.134 4.207 4.340 0.001 0.000 0.232 1092 R C 2.469 178.729 176.300 -0.067 0.000 1.117 1092 R CA 1.454 57.529 56.100 -0.042 0.000 0.981 1092 R CB -0.582 29.721 30.300 0.006 0.000 0.870 1092 R HN 0.361 nan 8.270 nan 0.000 0.451 1093 S N 0.915 116.555 115.700 -0.099 0.000 2.423 1093 S HA -0.021 4.449 4.470 0.001 0.000 0.231 1093 S C 1.873 176.399 174.600 -0.123 0.000 1.014 1093 S CA 0.594 58.740 58.200 -0.089 0.000 0.965 1093 S CB 0.004 63.167 63.200 -0.061 0.000 0.785 1093 S HN 0.268 nan 8.310 nan 0.000 0.495 1094 L N 0.828 121.929 121.223 -0.203 0.000 2.509 1094 L HA 0.247 4.588 4.340 0.001 0.000 0.222 1094 L C 0.913 177.717 176.870 -0.111 0.000 1.123 1094 L CA -0.290 54.448 54.840 -0.170 0.000 0.856 1094 L CB -0.273 41.642 42.059 -0.241 0.000 0.985 1094 L HN 0.053 nan 8.230 nan 0.000 0.456 1095 R N 1.995 122.436 120.500 -0.098 0.000 2.474 1095 R HA -0.081 4.260 4.340 0.001 0.000 0.290 1095 R C -1.216 175.050 176.300 -0.056 0.000 0.918 1095 R CA -0.592 55.466 56.100 -0.071 0.000 1.130 1095 R CB -0.181 30.088 30.300 -0.052 0.000 0.881 1095 R HN 0.057 nan 8.270 nan 0.000 0.416 1096 P HA -0.144 nan 4.420 nan 0.000 0.224 1096 P C -0.161 177.120 177.300 -0.032 0.000 1.142 1096 P CA 1.274 64.348 63.100 -0.043 0.000 0.778 1096 P CB 0.467 32.140 31.700 -0.045 0.000 0.764 1104 L N 2.199 123.417 121.223 -0.009 0.000 2.416 1104 L HA 0.850 5.190 4.340 0.001 0.000 0.262 1104 L C 0.990 177.841 176.870 -0.032 0.000 1.093 1104 L CA -0.079 54.753 54.840 -0.014 0.000 0.801 1104 L CB 1.448 43.505 42.059 -0.003 0.000 1.191 1104 L HN 0.721 nan 8.230 nan 0.000 0.459 1105 A N 2.163 124.961 122.820 -0.037 0.000 2.425 1105 A HA 0.539 4.859 4.320 0.001 0.000 0.249 1105 A C -1.939 175.611 177.584 -0.057 0.000 1.084 1105 A CA -0.682 51.328 52.037 -0.045 0.000 0.781 1105 A CB -0.668 18.305 19.000 -0.045 0.000 1.019 1105 A HN 0.600 nan 8.150 nan 0.000 0.490 1106 P HA 0.313 nan 4.420 nan 0.000 0.280 1106 P C -2.515 174.745 177.300 -0.066 0.000 1.278 1106 P CA -0.682 62.374 63.100 -0.073 0.000 0.787 1106 P CB -0.317 31.340 31.700 -0.073 0.000 1.163 1107 P HA 0.204 nan 4.420 nan 0.000 0.294 1107 P C -0.626 176.646 177.300 -0.047 0.000 1.294 1107 P CA -0.372 62.701 63.100 -0.045 0.000 0.827 1107 P CB 0.766 32.453 31.700 -0.021 0.000 0.992 1108 S N 3.198 118.873 115.700 -0.043 0.000 2.614 1108 S HA 0.132 4.603 4.470 0.001 0.000 0.265 1108 S C 1.292 175.870 174.600 -0.036 0.000 1.303 1108 S CA -0.679 57.496 58.200 -0.041 0.000 1.000 1108 S CB 0.242 63.419 63.200 -0.038 0.000 0.935 1108 S HN 0.424 nan 8.310 nan 0.000 0.551 1109 L N 1.285 122.487 121.223 -0.035 0.000 2.051 1109 L HA -0.158 4.182 4.340 0.001 0.000 0.214 1109 L C 2.557 179.409 176.870 -0.030 0.000 1.076 1109 L CA 2.626 57.447 54.840 -0.033 0.000 0.758 1109 L CB -1.322 40.719 42.059 -0.029 0.000 0.890 1109 L HN 1.021 nan 8.230 nan 0.000 0.433 1110 S N -0.479 115.205 115.700 -0.028 0.000 2.359 1110 S HA -0.198 4.273 4.470 0.001 0.000 0.224 1110 S C 1.946 176.532 174.600 -0.024 0.000 1.035 1110 S CA 1.303 59.487 58.200 -0.026 0.000 1.018 1110 S CB -0.033 63.153 63.200 -0.023 0.000 0.876 1110 S HN 0.418 nan 8.310 nan 0.000 0.448 1111 K N 0.982 121.368 120.400 -0.023 0.000 2.009 1111 K HA -0.063 4.258 4.320 0.001 0.000 0.210 1111 K C 2.243 178.844 176.600 0.002 0.000 1.049 1111 K CA 1.629 57.908 56.287 -0.013 0.000 0.929 1111 K CB -0.779 31.711 32.500 -0.018 0.000 0.714 1111 K HN 0.520 nan 8.250 nan 0.000 0.440 1112 M N 0.448 120.043 119.600 -0.008 0.000 2.117 1112 M HA -0.131 4.349 4.480 0.001 0.000 0.262 1112 M C 2.083 178.374 176.300 -0.015 0.000 1.065 1112 M CA 1.187 56.482 55.300 -0.009 0.000 1.114 1112 M CB -0.380 32.203 32.600 -0.028 0.000 1.361 1112 M HN -0.014 nan 8.290 nan 0.000 0.408 1113 I N 0.358 120.912 120.570 -0.028 0.000 2.361 1113 I HA -0.243 3.928 4.170 0.001 0.000 0.251 1113 I C 2.457 178.539 176.117 -0.058 0.000 1.133 1113 I CA 1.531 62.806 61.300 -0.041 0.000 1.413 1113 I CB -1.249 36.719 38.000 -0.052 0.000 1.073 1113 I HN 0.363 nan 8.210 nan 0.000 0.424 1114 Q N 1.024 120.799 119.800 -0.042 0.000 1.990 1114 Q HA -0.127 4.214 4.340 0.001 0.000 0.200 1114 Q C 2.321 178.313 176.000 -0.013 0.000 0.980 1114 Q CA 1.731 57.508 55.803 -0.043 0.000 0.832 1114 Q CB -0.231 28.510 28.738 0.006 0.000 0.897 1114 Q HN 0.410 nan 8.270 nan 0.000 0.427 1115 M N -0.459 119.159 119.600 0.030 0.000 2.082 1115 M HA -0.200 4.281 4.480 0.001 0.000 0.258 1115 M C 2.181 178.520 176.300 0.066 0.000 1.069 1115 M CA 1.763 57.099 55.300 0.060 0.000 1.102 1115 M CB -0.540 32.107 32.600 0.078 0.000 1.336 1115 M HN 0.318 nan 8.290 nan 0.000 0.404 1116 A N 0.558 123.414 122.820 0.060 0.000 1.933 1116 A HA -0.059 4.261 4.320 0.001 0.000 0.218 1116 A C 2.380 180.081 177.584 0.194 0.000 1.175 1116 A CA 1.954 54.090 52.037 0.164 0.000 0.628 1116 A CB -1.504 17.562 19.000 0.110 0.000 0.814 1116 A HN 0.576 nan 8.150 nan 0.000 0.444 1117 G N -0.504 108.292 108.800 -0.008 0.000 2.408 1117 G HA2 -0.149 3.812 3.960 0.001 0.000 0.217 1117 G HA3 -0.149 3.812 3.960 0.001 0.000 0.217 1117 G C 1.417 176.241 174.900 -0.127 0.000 1.150 1117 G CA 0.901 45.902 45.100 -0.164 0.000 0.776 1117 G HN 0.668 nan 8.290 nan 0.000 0.542 1118 E N 0.165 120.291 120.200 -0.123 0.000 2.047 1118 E HA -0.037 4.314 4.350 0.001 0.000 0.191 1118 E C 2.493 179.014 176.600 -0.132 0.000 0.987 1118 E CA 0.607 56.833 56.400 -0.290 0.000 0.799 1118 E CB -0.138 29.509 29.700 -0.089 0.000 0.752 1118 E HN 0.458 nan 8.360 nan 0.000 0.449 1119 I N 1.447 122.045 120.570 0.046 0.000 2.179 1119 I HA -0.255 3.915 4.170 0.001 0.000 0.242 1119 I C 2.598 178.720 176.117 0.008 0.000 1.088 1119 I CA 1.018 62.384 61.300 0.111 0.000 1.357 1119 I CB -0.342 37.830 38.000 0.287 0.000 1.051 1119 I HN 0.071 nan 8.210 nan 0.000 0.409 1120 A N 0.230 123.067 122.820 0.028 0.000 1.972 1120 A HA -0.287 4.033 4.320 0.001 0.000 0.219 1120 A C 1.960 179.489 177.584 -0.092 0.000 1.169 1120 A CA 2.270 54.189 52.037 -0.197 0.000 0.635 1120 A CB -0.687 18.236 19.000 -0.128 0.000 0.810 1120 A HN 0.467 nan 8.150 nan 0.000 0.446 1121 D N -0.796 119.628 120.400 0.040 0.000 2.117 1121 D HA -0.019 4.621 4.640 0.001 0.000 0.198 1121 D C 1.983 178.394 176.300 0.185 0.000 0.982 1121 D CA 1.545 55.673 54.000 0.214 0.000 0.828 1121 D CB -0.354 40.614 40.800 0.281 0.000 0.967 1121 D HN 0.294 nan 8.370 nan 0.000 0.464 1122 G N -0.188 108.666 108.800 0.089 0.000 2.422 1122 G HA2 -0.184 3.777 3.960 0.001 0.000 0.218 1122 G HA3 -0.184 3.777 3.960 0.001 0.000 0.218 1122 G C 1.496 176.367 174.900 -0.050 0.000 1.140 1122 G CA 0.461 45.611 45.100 0.083 0.000 0.775 1122 G HN 0.168 nan 8.290 nan 0.000 0.545 1123 M N 1.057 120.484 119.600 -0.289 0.000 2.200 1123 M HA 0.169 4.650 4.480 0.001 0.000 0.265 1123 M C 2.956 179.018 176.300 -0.397 0.000 1.066 1123 M CA 1.023 55.964 55.300 -0.599 0.000 1.127 1123 M CB -1.042 30.590 32.600 -1.614 0.000 1.379 1123 M HN 0.304 nan 8.290 nan 0.000 0.420 1124 A N -0.760 121.959 122.820 -0.169 0.000 1.898 1124 A HA -0.215 4.106 4.320 0.001 0.000 0.216 1124 A C 2.138 179.673 177.584 -0.081 0.000 1.181 1124 A CA 1.360 53.485 52.037 0.146 0.000 0.620 1124 A CB -1.090 18.164 19.000 0.425 0.000 0.819 1124 A HN 0.500 nan 8.150 nan 0.000 0.442 1125 Y N 0.579 120.580 120.300 -0.499 0.000 2.114 1125 Y HA -0.188 4.362 4.550 0.001 0.000 0.284 1125 Y C 1.968 177.584 175.900 -0.472 0.000 1.143 1125 Y CA 1.920 59.381 58.100 -1.064 0.000 1.135 1125 Y CB -0.415 37.617 38.460 -0.713 0.000 0.980 1125 Y HN 0.207 nan 8.280 nan 0.000 0.499 1126 L N 0.364 121.418 121.223 -0.282 0.000 2.012 1126 L HA -0.299 4.041 4.340 0.001 0.000 0.210 1126 L C 2.194 178.993 176.870 -0.117 0.000 1.073 1126 L CA 2.138 56.819 54.840 -0.264 0.000 0.748 1126 L CB -0.795 41.192 42.059 -0.119 0.000 0.891 1126 L HN 0.369 nan 8.230 nan 0.000 0.431 1127 N N -0.353 118.329 118.700 -0.030 0.000 2.166 1127 N HA -0.170 4.571 4.740 0.001 0.000 0.186 1127 N C 1.871 177.441 175.510 0.101 0.000 1.019 1127 N CA 0.947 54.073 53.050 0.127 0.000 0.856 1127 N CB -0.134 38.476 38.487 0.205 0.000 0.993 1127 N HN 0.328 nan 8.380 nan 0.000 0.426 1128 A N 1.179 123.980 122.820 -0.031 0.000 1.972 1128 A HA -0.073 4.247 4.320 0.001 0.000 0.219 1128 A C 1.398 178.920 177.584 -0.103 0.000 1.169 1128 A CA 1.074 53.102 52.037 -0.014 0.000 0.635 1128 A CB -0.138 18.856 19.000 -0.011 0.000 0.810 1128 A HN 0.293 nan 8.150 nan 0.000 0.446 1129 N N 0.588 119.158 118.700 -0.217 0.000 2.389 1129 N HA 0.037 4.778 4.740 0.001 0.000 0.237 1129 N C -0.661 174.810 175.510 -0.064 0.000 1.148 1129 N CA -0.024 52.933 53.050 -0.155 0.000 0.854 1129 N CB 0.298 38.658 38.487 -0.211 0.000 1.115 1129 N HN 0.120 nan 8.380 nan 0.000 0.492 1130 K N 0.189 120.481 120.400 -0.180 0.000 3.148 1130 K HA -0.223 4.098 4.320 0.001 0.000 0.267 1130 K C -0.640 175.909 176.600 -0.085 0.000 0.996 1130 K CA 0.730 56.729 56.287 -0.480 0.000 0.737 1130 K CB -2.273 29.922 32.500 -0.509 0.000 1.308 1130 K HN 0.405 nan 8.250 nan 0.000 0.470 1131 F N -0.654 119.273 119.950 -0.038 0.000 2.547 1131 F HA 0.443 4.970 4.527 0.001 0.000 0.316 1131 F C -0.333 175.485 175.800 0.029 0.000 1.121 1131 F CA -1.028 56.965 58.000 -0.012 0.000 0.911 1131 F CB 1.566 40.494 39.000 -0.120 0.000 1.179 1131 F HN -0.171 nan 8.300 nan 0.000 0.443 1132 V N 6.915 126.372 119.914 -0.762 0.000 2.334 1132 V HA 0.122 4.242 4.120 0.001 0.000 0.281 1132 V C 1.069 176.542 176.094 -1.034 0.000 1.016 1132 V CA -0.387 61.565 62.300 -0.580 0.000 0.832 1132 V CB 0.868 32.508 31.823 -0.304 0.000 0.999 1132 V HN 0.927 nan 8.190 nan 0.000 0.439 1133 H N 5.475 124.060 119.070 -0.809 0.000 2.265 1133 H HA -0.138 4.418 4.556 0.001 0.000 0.295 1133 H C 1.622 176.731 175.328 -0.366 0.000 1.084 1133 H CA 2.536 58.237 56.048 -0.579 0.000 1.261 1133 H CB 0.322 29.951 29.762 -0.221 0.000 1.360 1133 H HN 0.707 nan 8.280 nan 0.000 0.487 1134 R N -0.799 119.708 120.500 0.011 0.000 3.922 1134 R HA -0.187 4.154 4.340 0.001 0.000 0.447 1134 R C -0.385 176.001 176.300 0.142 0.000 1.035 1134 R CA 1.207 57.307 56.100 0.000 0.000 1.289 1134 R CB -1.540 28.510 30.300 -0.416 0.000 1.906 1134 R HN 0.386 nan 8.270 nan 0.000 0.540 1135 D N 0.237 120.872 120.400 0.392 0.000 3.007 1135 D HA 0.141 4.782 4.640 0.001 0.000 0.363 1135 D C -1.078 175.331 176.300 0.181 0.000 1.474 1135 D CA -0.397 53.766 54.000 0.272 0.000 0.767 1135 D CB 0.328 41.226 40.800 0.163 0.000 1.227 1135 D HN 0.039 nan 8.370 nan 0.000 0.471 1136 L N 1.595 122.828 121.223 0.017 0.000 2.410 1136 L HA 0.694 5.034 4.340 0.001 0.000 0.273 1136 L C -0.520 176.326 176.870 -0.039 0.000 1.144 1136 L CA 0.225 54.938 54.840 -0.212 0.000 0.863 1136 L CB 0.528 42.540 42.059 -0.079 0.000 1.140 1136 L HN 0.216 nan 8.230 nan 0.000 0.463 1137 A N 3.882 126.632 122.820 -0.116 0.000 2.608 1137 A HA 0.689 5.010 4.320 0.001 0.000 0.292 1137 A C 0.523 178.101 177.584 -0.010 0.000 1.066 1137 A CA -0.159 51.764 52.037 -0.191 0.000 0.676 1137 A CB 0.459 18.953 19.000 -0.843 0.000 1.277 1137 A HN 1.081 nan 8.150 nan 0.000 0.413 1138 A N 0.879 123.784 122.820 0.141 0.000 1.948 1138 A HA -0.196 4.125 4.320 0.001 0.000 0.220 1138 A C 1.943 179.575 177.584 0.079 0.000 1.177 1138 A CA 2.233 54.355 52.037 0.141 0.000 0.636 1138 A CB -0.661 18.464 19.000 0.209 0.000 0.815 1138 A HN 1.188 nan 8.150 nan 0.000 0.449 1139 R N -0.875 119.639 120.500 0.022 0.000 2.241 1139 R HA -0.015 4.325 4.340 0.001 0.000 0.224 1139 R C 0.510 176.817 176.300 0.013 0.000 1.101 1139 R CA 1.512 57.617 56.100 0.009 0.000 0.995 1139 R CB -0.424 29.852 30.300 -0.040 0.000 0.870 1139 R HN 0.346 nan 8.270 nan 0.000 0.463 1140 N N -0.018 118.684 118.700 0.003 0.000 2.235 1140 N HA 0.111 4.852 4.740 0.001 0.000 0.209 1140 N C -0.810 174.746 175.510 0.077 0.000 1.122 1140 N CA -0.023 53.060 53.050 0.054 0.000 0.845 1140 N CB 0.491 39.023 38.487 0.075 0.000 1.004 1140 N HN 0.168 nan 8.380 nan 0.000 0.499 1141 C N 0.722 120.061 119.300 0.064 0.000 2.562 1141 C HA 0.601 5.062 4.460 0.001 0.000 0.332 1141 C C 0.088 175.118 174.990 0.067 0.000 1.201 1141 C CA -0.830 58.231 59.018 0.072 0.000 1.803 1141 C CB 1.555 29.341 27.740 0.076 0.000 2.328 1141 C HN 0.168 nan 8.230 nan 0.000 0.500 1142 M N 1.734 121.366 119.600 0.053 0.000 2.662 1142 M HA 0.591 5.071 4.480 0.001 0.000 0.310 1142 M C -0.869 175.430 176.300 -0.001 0.000 1.204 1142 M CA -0.597 54.720 55.300 0.028 0.000 0.891 1142 M CB 1.713 34.323 32.600 0.017 0.000 1.732 1142 M HN 0.360 nan 8.290 nan 0.000 0.467 1143 V N 1.354 121.241 119.914 -0.044 0.000 2.409 1143 V HA 0.729 4.850 4.120 0.001 0.000 0.291 1143 V C 0.259 176.255 176.094 -0.164 0.000 1.020 1143 V CA -1.064 61.158 62.300 -0.131 0.000 0.848 1143 V CB 1.153 32.811 31.823 -0.275 0.000 0.990 1143 V HN 0.998 nan 8.190 nan 0.000 0.430 1144 A N 2.683 125.407 122.820 -0.159 0.000 2.272 1144 A HA 0.550 4.871 4.320 0.001 0.000 0.275 1144 A C 1.222 178.633 177.584 -0.288 0.000 1.096 1144 A CA -0.118 51.819 52.037 -0.166 0.000 0.822 1144 A CB 0.358 19.295 19.000 -0.105 0.000 1.088 1144 A HN 0.881 nan 8.150 nan 0.000 0.495 1145 E N 0.327 120.383 120.200 -0.240 0.000 2.130 1145 E HA -0.212 4.139 4.350 0.001 0.000 0.196 1145 E C 0.869 177.201 176.600 -0.447 0.000 0.998 1145 E CA 2.075 58.289 56.400 -0.310 0.000 0.806 1145 E CB -0.093 29.511 29.700 -0.161 0.000 0.738 1145 E HN 0.723 nan 8.360 nan 0.000 0.459 1146 D N -1.468 118.788 120.400 -0.241 0.000 2.336 1146 D HA -0.063 4.577 4.640 0.001 0.000 0.228 1146 D C -0.096 176.254 176.300 0.084 0.000 1.120 1146 D CA -0.287 53.675 54.000 -0.063 0.000 0.839 1146 D CB -0.694 40.145 40.800 0.065 0.000 0.932 1146 D HN 0.238 nan 8.370 nan 0.000 0.509 1147 F N -1.232 118.681 119.950 -0.061 0.000 2.794 1147 F HA -0.241 4.287 4.527 0.001 0.000 0.335 1147 F C 0.410 176.173 175.800 -0.060 0.000 0.653 1147 F CA 0.750 58.680 58.000 -0.117 0.000 1.266 1147 F CB -2.644 36.312 39.000 -0.072 0.000 1.666 1147 F HN -0.087 nan 8.300 nan 0.000 0.314 1148 T N 1.821 116.431 114.554 0.094 0.000 2.870 1148 T HA 0.468 4.818 4.350 0.001 0.000 0.300 1148 T C 0.482 175.222 174.700 0.066 0.000 0.989 1148 T CA -0.229 61.946 62.100 0.126 0.000 1.139 1148 T CB 1.309 70.251 68.868 0.124 0.000 0.920 1148 T HN 0.024 nan 8.240 nan 0.000 0.537 1149 V N 5.335 125.314 119.914 0.109 0.000 2.481 1149 V HA 0.474 4.595 4.120 0.001 0.000 0.286 1149 V C 0.237 176.398 176.094 0.112 0.000 1.042 1149 V CA -0.434 61.913 62.300 0.079 0.000 0.928 1149 V CB 1.368 33.243 31.823 0.087 0.000 0.986 1149 V HN 0.780 nan 8.190 nan 0.000 0.462 1150 K N 3.970 124.414 120.400 0.073 0.000 2.480 1150 K HA 0.623 4.944 4.320 0.001 0.000 0.258 1150 K C -1.268 175.378 176.600 0.076 0.000 0.990 1150 K CA -0.920 55.415 56.287 0.080 0.000 0.857 1150 K CB 2.696 35.207 32.500 0.019 0.000 1.384 1150 K HN 0.420 nan 8.250 nan 0.000 0.446 1151 I N 2.087 122.712 120.570 0.092 0.000 2.396 1151 I HA 0.105 4.276 4.170 0.001 0.000 0.289 1151 I C 0.996 177.207 176.117 0.157 0.000 1.056 1151 I CA -0.116 61.256 61.300 0.119 0.000 1.365 1151 I CB 0.798 38.871 38.000 0.122 0.000 1.407 1151 I HN 0.690 nan 8.210 nan 0.000 0.509 1152 G N 4.424 113.325 108.800 0.167 0.000 2.636 1152 G HA2 0.119 4.079 3.960 0.001 0.000 0.246 1152 G HA3 0.119 4.079 3.960 0.001 0.000 0.246 1152 G C -0.330 174.683 174.900 0.189 0.000 1.216 1152 G CA -0.556 44.630 45.100 0.143 0.000 0.854 1152 G HN 0.822 nan 8.290 nan 0.000 0.572 1153 D N -1.281 119.137 120.400 0.030 0.000 2.419 1153 D HA 0.380 5.021 4.640 0.001 0.000 0.236 1153 D C 0.039 176.301 176.300 -0.062 0.000 1.165 1153 D CA 0.017 53.915 54.000 -0.171 0.000 0.882 1153 D CB 0.355 41.035 40.800 -0.200 0.000 1.201 1153 D HN 0.378 nan 8.370 nan 0.000 0.443 1154 F N -1.663 118.255 119.950 -0.053 0.000 2.726 1154 F HA 0.823 5.351 4.527 0.001 0.000 0.324 1154 F C 0.242 176.005 175.800 -0.061 0.000 1.140 1154 F CA -1.375 56.590 58.000 -0.060 0.000 0.964 1154 F CB 0.899 39.821 39.000 -0.129 0.000 1.399 1154 F HN 0.470 nan 8.300 nan 0.000 0.491 1155 G N -0.003 108.939 108.800 0.237 0.000 2.552 1155 G HA2 0.683 4.644 3.960 0.001 0.000 0.324 1155 G HA3 0.683 4.644 3.960 0.001 0.000 0.324 1155 G C -1.784 173.281 174.900 0.275 0.000 1.217 1155 G CA -0.996 44.195 45.100 0.151 0.000 0.989 1155 G HN 0.881 nan 8.290 nan 0.000 0.490 1156 M N -0.225 119.486 119.600 0.185 0.000 2.465 1156 M HA 0.612 5.093 4.480 0.001 0.000 0.284 1156 M C -0.908 175.466 176.300 0.123 0.000 1.212 1156 M CA -0.263 55.177 55.300 0.233 0.000 0.910 1156 M CB 2.275 35.038 32.600 0.271 0.000 1.725 1156 M HN 0.866 nan 8.290 nan 0.000 0.477 1166 Y N 3.030 123.272 120.300 -0.096 0.000 2.436 1166 Y HA 0.306 4.857 4.550 0.001 0.000 0.343 1166 Y C 0.002 175.750 175.900 -0.254 0.000 1.008 1166 Y CA -0.128 57.856 58.100 -0.194 0.000 1.241 1166 Y CB 0.570 38.874 38.460 -0.260 0.000 1.153 1166 Y HN 0.256 nan 8.280 nan 0.000 0.521 1167 R N 3.269 123.773 120.500 0.007 0.000 2.539 1167 R HA 0.285 4.625 4.340 0.001 0.000 0.275 1167 R C -0.562 175.669 176.300 -0.116 0.000 1.077 1167 R CA -0.443 55.691 56.100 0.057 0.000 1.097 1167 R CB 0.412 30.894 30.300 0.304 0.000 1.018 1167 R HN 0.382 nan 8.270 nan 0.000 0.483 1168 K N 0.978 121.287 120.400 -0.152 0.000 2.292 1168 K HA 0.435 4.755 4.320 0.001 0.000 0.257 1168 K C 0.172 176.625 176.600 -0.246 0.000 0.940 1168 K CA -0.544 55.529 56.287 -0.358 0.000 0.811 1168 K CB 2.308 34.636 32.500 -0.287 0.000 1.120 1168 K HN 0.773 nan 8.250 nan 0.000 0.428 1169 G N 0.037 108.528 108.800 -0.515 0.000 2.714 1169 G HA2 0.564 4.525 3.960 0.001 0.000 0.197 1169 G HA3 0.564 4.525 3.960 0.001 0.000 0.197 1169 G C -0.066 174.731 174.900 -0.171 0.000 1.449 1169 G CA -0.178 44.878 45.100 -0.073 0.000 1.065 1169 G HN 0.750 nan 8.290 nan 0.000 0.575 1170 G N -1.229 107.488 108.800 -0.138 0.000 2.862 1170 G HA2 0.205 4.165 3.960 0.001 0.000 0.686 1170 G HA3 0.205 4.165 3.960 0.001 0.000 0.686 1170 G C -0.533 174.339 174.900 -0.048 0.000 1.134 1170 G CA 0.270 45.304 45.100 -0.109 0.000 0.791 1170 G HN 0.828 nan 8.290 nan 0.000 0.592 1171 K N 1.694 122.084 120.400 -0.017 0.000 2.565 1171 K HA 0.670 4.991 4.320 0.001 0.000 0.251 1171 K C 0.532 177.132 176.600 0.000 0.000 0.956 1171 K CA 0.476 56.765 56.287 0.003 0.000 0.809 1171 K CB 1.377 33.899 32.500 0.038 0.000 1.267 1171 K HN 2.749 nan 8.250 nan 0.000 0.438 1172 G N 2.181 110.978 108.800 -0.006 0.000 2.500 1172 G HA2 -0.122 3.839 3.960 0.001 0.000 0.209 1172 G HA3 -0.122 3.839 3.960 0.001 0.000 0.209 1172 G C -1.218 173.681 174.900 -0.001 0.000 1.283 1172 G CA -0.695 44.402 45.100 -0.004 0.000 0.960 1172 G HN 0.501 nan 8.290 nan 0.000 0.528 1173 L N 1.198 122.425 121.223 0.008 0.000 2.342 1173 L HA 0.392 4.733 4.340 0.001 0.000 0.285 1173 L C 1.053 177.944 176.870 0.035 0.000 1.095 1173 L CA -0.520 54.333 54.840 0.022 0.000 0.843 1173 L CB 0.411 42.486 42.059 0.026 0.000 1.201 1173 L HN 0.379 nan 8.230 nan 0.000 0.445 1174 L N 5.973 127.222 121.223 0.043 0.000 2.540 1174 L HA 0.122 4.463 4.340 0.001 0.000 0.276 1174 L C -1.557 175.385 176.870 0.121 0.000 1.212 1174 L CA -1.358 53.528 54.840 0.077 0.000 0.893 1174 L CB -0.029 42.091 42.059 0.102 0.000 1.138 1174 L HN 0.436 nan 8.230 nan 0.000 0.491 1175 P HA 0.084 nan 4.420 nan 0.000 0.282 1175 P C 0.873 178.380 177.300 0.345 0.000 1.274 1175 P CA -0.386 62.866 63.100 0.254 0.000 0.770 1175 P CB 1.707 33.560 31.700 0.256 0.000 0.867 1176 V N 5.159 125.219 119.914 0.243 0.000 2.324 1176 V HA -0.270 3.851 4.120 0.001 0.000 0.250 1176 V C 2.493 178.691 176.094 0.173 0.000 1.060 1176 V CA 1.939 64.334 62.300 0.159 0.000 1.042 1176 V CB -0.924 30.937 31.823 0.064 0.000 0.650 1176 V HN 0.595 nan 8.190 nan 0.000 0.450 1177 R N -1.313 119.325 120.500 0.231 0.000 2.341 1177 R HA -0.152 4.189 4.340 0.001 0.000 0.213 1177 R C 1.715 178.010 176.300 -0.009 0.000 1.082 1177 R CA 1.247 57.388 56.100 0.068 0.000 1.017 1177 R CB -0.168 30.036 30.300 -0.160 0.000 0.860 1177 R HN 0.602 nan 8.270 nan 0.000 0.473 1178 W N -0.520 120.924 121.300 0.240 0.000 2.871 1178 W HA 0.287 4.948 4.660 0.001 0.000 0.340 1178 W C 0.136 176.857 176.519 0.337 0.000 1.058 1178 W CA -0.580 56.950 57.345 0.309 0.000 1.633 1178 W CB 0.328 29.938 29.460 0.250 0.000 1.067 1178 W HN 0.002 nan 8.180 nan 0.000 0.554 1179 M N 1.400 121.209 119.600 0.348 0.000 2.233 1179 M HA 0.054 4.534 4.480 0.001 0.000 0.350 1179 M C 1.146 177.222 176.300 -0.373 0.000 1.176 1179 M CA 0.436 55.782 55.300 0.077 0.000 1.150 1179 M CB 1.099 33.712 32.600 0.022 0.000 1.530 1179 M HN -0.253 nan 8.290 nan 0.000 0.459 1180 S N 2.445 117.727 115.700 -0.698 0.000 2.603 1180 S HA 0.287 4.758 4.470 0.001 0.000 0.268 1180 S C -2.182 171.799 174.600 -1.032 0.000 1.317 1180 S CA -1.207 56.126 58.200 -1.445 0.000 1.012 1180 S CB 0.648 63.321 63.200 -0.879 0.000 0.926 1180 S HN 0.434 nan 8.310 nan 0.000 0.539 1181 P HA -0.182 nan 4.420 nan 0.000 0.215 1181 P C 1.668 178.626 177.300 -0.570 0.000 1.157 1181 P CA 1.496 64.129 63.100 -0.778 0.000 0.868 1181 P CB -0.065 31.034 31.700 -1.001 0.000 0.788 1182 E N -0.596 119.252 120.200 -0.587 0.000 2.204 1182 E HA -0.095 4.256 4.350 0.001 0.000 0.194 1182 E C 1.648 177.998 176.600 -0.417 0.000 0.989 1182 E CA 1.336 57.487 56.400 -0.416 0.000 0.824 1182 E CB -1.074 28.415 29.700 -0.351 0.000 0.756 1182 E HN 0.157 nan 8.360 nan 0.000 0.477 1183 S N 1.139 116.505 115.700 -0.557 0.000 2.371 1183 S HA 0.037 4.508 4.470 0.001 0.000 0.224 1183 S C 2.125 176.484 174.600 -0.402 0.000 1.029 1183 S CA 0.741 58.517 58.200 -0.708 0.000 0.978 1183 S CB -0.178 62.418 63.200 -1.006 0.000 0.833 1183 S HN 0.201 nan 8.310 nan 0.000 0.466 1184 L N 1.096 122.121 121.223 -0.330 0.000 2.072 1184 L HA -0.042 4.298 4.340 0.001 0.000 0.205 1184 L C 2.534 179.310 176.870 -0.156 0.000 1.079 1184 L CA 1.201 55.922 54.840 -0.200 0.000 0.752 1184 L CB -0.363 41.571 42.059 -0.208 0.000 0.906 1184 L HN 0.231 nan 8.230 nan 0.000 0.436 1185 K N -0.177 120.111 120.400 -0.187 0.000 2.007 1185 K HA -0.122 4.199 4.320 0.001 0.000 0.206 1185 K C 1.027 177.564 176.600 -0.105 0.000 1.047 1185 K CA 1.559 57.769 56.287 -0.130 0.000 0.937 1185 K CB 0.228 32.649 32.500 -0.132 0.000 0.718 1185 K HN 0.237 nan 8.250 nan 0.000 0.438 1186 D N -1.642 118.678 120.400 -0.133 0.000 2.433 1186 D HA 0.117 4.758 4.640 0.001 0.000 0.211 1186 D C 0.473 176.726 176.300 -0.079 0.000 1.114 1186 D CA 0.667 54.612 54.000 -0.092 0.000 0.837 1186 D CB 1.225 41.973 40.800 -0.087 0.000 0.984 1186 D HN 0.488 nan 8.370 nan 0.000 0.505 1187 G N 1.437 110.165 108.800 -0.121 0.000 2.160 1187 G HA2 -0.277 3.684 3.960 0.001 0.000 0.251 1187 G HA3 -0.277 3.684 3.960 0.001 0.000 0.251 1187 G C 0.318 175.190 174.900 -0.046 0.000 1.008 1187 G CA 0.135 45.214 45.100 -0.036 0.000 0.724 1187 G HN 0.273 nan 8.290 nan 0.000 0.514 1188 V N 0.536 120.305 119.914 -0.243 0.000 2.406 1188 V HA 0.657 4.778 4.120 0.001 0.000 0.272 1188 V C 0.055 175.883 176.094 -0.443 0.000 1.043 1188 V CA -0.195 61.987 62.300 -0.197 0.000 0.915 1188 V CB 0.783 32.510 31.823 -0.159 0.000 0.988 1188 V HN 0.228 nan 8.190 nan 0.000 0.466 1189 F N 3.312 123.199 119.950 -0.104 0.000 2.507 1189 F HA 0.723 5.251 4.527 0.001 0.000 0.325 1189 F C 0.515 176.204 175.800 -0.186 0.000 1.116 1189 F CA -0.368 57.557 58.000 -0.125 0.000 0.930 1189 F CB 2.301 41.226 39.000 -0.126 0.000 1.146 1189 F HN 0.602 nan 8.300 nan 0.000 0.447 1190 T N -2.744 111.764 114.554 -0.076 0.000 2.696 1190 T HA 0.209 4.560 4.350 0.001 0.000 0.291 1190 T C 0.734 175.257 174.700 -0.294 0.000 1.095 1190 T CA -0.048 61.872 62.100 -0.299 0.000 1.026 1190 T CB 1.317 69.917 68.868 -0.447 0.000 1.390 1190 T HN 0.496 nan 8.240 nan 0.000 0.513 1191 T N -0.887 113.348 114.554 -0.532 0.000 2.803 1191 T HA -0.145 4.206 4.350 0.001 0.000 0.269 1191 T C 1.311 175.914 174.700 -0.161 0.000 1.052 1191 T CA 1.810 63.729 62.100 -0.302 0.000 1.136 1191 T CB -0.898 67.743 68.868 -0.378 0.000 0.864 1191 T HN 0.582 nan 8.240 nan 0.000 0.467 1192 Y N 2.175 122.437 120.300 -0.064 0.000 2.242 1192 Y HA 0.019 4.569 4.550 0.001 0.000 0.291 1192 Y C 3.134 179.053 175.900 0.032 0.000 1.137 1192 Y CA 0.885 58.954 58.100 -0.052 0.000 1.181 1192 Y CB -1.212 37.212 38.460 -0.060 0.000 0.989 1192 Y HN 0.414 nan 8.280 nan 0.000 0.527 1193 S N -0.922 114.869 115.700 0.152 0.000 2.481 1193 S HA -0.108 4.362 4.470 0.001 0.000 0.231 1193 S C 1.383 176.156 174.600 0.288 0.000 0.996 1193 S CA 1.043 59.337 58.200 0.157 0.000 0.942 1193 S CB -0.241 62.934 63.200 -0.042 0.000 0.768 1193 S HN 0.292 nan 8.310 nan 0.000 0.520 1194 D N 1.589 122.145 120.400 0.260 0.000 2.149 1194 D HA 0.050 4.691 4.640 0.001 0.000 0.201 1194 D C 1.994 178.591 176.300 0.496 0.000 0.972 1194 D CA 0.597 54.826 54.000 0.382 0.000 0.835 1194 D CB -0.266 40.776 40.800 0.403 0.000 0.966 1194 D HN 0.296 nan 8.370 nan 0.000 0.476 1195 V N 0.919 120.956 119.914 0.205 0.000 2.427 1195 V HA -0.175 3.946 4.120 0.001 0.000 0.248 1195 V C 2.147 178.423 176.094 0.303 0.000 1.051 1195 V CA 1.113 63.396 62.300 -0.029 0.000 1.048 1195 V CB -0.399 31.229 31.823 -0.325 0.000 0.666 1195 V HN 0.404 nan 8.190 nan 0.000 0.456 1196 W N 1.276 122.699 121.300 0.206 0.000 2.333 1196 W HA -0.224 4.436 4.660 0.001 0.000 0.316 1196 W C 2.474 179.249 176.519 0.426 0.000 1.215 1196 W CA 2.201 59.737 57.345 0.319 0.000 1.278 1196 W CB -0.679 28.915 29.460 0.222 0.000 1.154 1196 W HN 0.329 nan 8.180 nan 0.000 0.486 1197 S N 0.861 116.990 115.700 0.715 0.000 2.400 1197 S HA -0.241 4.229 4.470 0.001 0.000 0.232 1197 S C 1.518 176.434 174.600 0.526 0.000 1.025 1197 S CA 1.620 60.209 58.200 0.648 0.000 0.993 1197 S CB -1.015 62.528 63.200 0.572 0.000 0.808 1197 S HN 0.355 nan 8.310 nan 0.000 0.478 1198 F N 2.646 122.800 119.950 0.341 0.000 2.134 1198 F HA -0.006 4.522 4.527 0.001 0.000 0.299 1198 F C 2.280 178.173 175.800 0.155 0.000 1.097 1198 F CA 1.272 59.440 58.000 0.280 0.000 1.264 1198 F CB -1.012 38.216 39.000 0.380 0.000 1.001 1198 F HN 0.210 nan 8.300 nan 0.000 0.479 1199 G N -0.141 108.669 108.800 0.016 0.000 2.432 1199 G HA2 -0.199 3.761 3.960 0.001 0.000 0.219 1199 G HA3 -0.199 3.761 3.960 0.001 0.000 0.219 1199 G C 1.685 176.594 174.900 0.015 0.000 1.135 1199 G CA 1.175 46.061 45.100 -0.357 0.000 0.767 1199 G HN 0.359 nan 8.290 nan 0.000 0.550 1200 V N 1.128 121.227 119.914 0.308 0.000 2.427 1200 V HA -0.154 3.967 4.120 0.001 0.000 0.248 1200 V C 3.107 179.385 176.094 0.306 0.000 1.051 1200 V CA 1.628 64.105 62.300 0.295 0.000 1.048 1200 V CB -0.139 31.718 31.823 0.056 0.000 0.666 1200 V HN 0.415 nan 8.190 nan 0.000 0.456 1201 V N -1.874 118.193 119.914 0.256 0.000 2.667 1201 V HA -0.097 4.024 4.120 0.001 0.000 0.252 1201 V C 2.109 178.242 176.094 0.064 0.000 1.065 1201 V CA 1.485 63.920 62.300 0.226 0.000 1.083 1201 V CB -0.654 31.269 31.823 0.167 0.000 0.692 1201 V HN 0.441 nan 8.190 nan 0.000 0.468 1202 L N -1.455 119.698 121.223 -0.115 0.000 2.093 1202 L HA -0.074 4.266 4.340 0.001 0.000 0.208 1202 L C 2.398 179.280 176.870 0.021 0.000 1.085 1202 L CA 2.315 57.054 54.840 -0.168 0.000 0.755 1202 L CB -0.495 41.362 42.059 -0.337 0.000 0.904 1202 L HN 0.583 nan 8.230 nan 0.000 0.435 1203 W N 1.091 122.363 121.300 -0.047 0.000 2.436 1203 W HA -0.121 4.540 4.660 0.001 0.000 0.284 1203 W C 2.330 178.857 176.519 0.013 0.000 1.225 1203 W CA 1.048 58.413 57.345 0.032 0.000 1.271 1203 W CB 0.187 29.737 29.460 0.150 0.000 1.114 1203 W HN 0.069 nan 8.180 nan 0.000 0.559 1204 E N 0.297 120.709 120.200 0.354 0.000 2.047 1204 E HA -0.231 4.120 4.350 0.001 0.000 0.191 1204 E C 2.118 178.730 176.600 0.019 0.000 0.987 1204 E CA 1.755 58.300 56.400 0.241 0.000 0.799 1204 E CB -0.428 29.481 29.700 0.348 0.000 0.752 1204 E HN 0.324 nan 8.360 nan 0.000 0.449 1205 I N 1.242 121.827 120.570 0.024 0.000 2.099 1205 I HA -0.307 3.863 4.170 0.001 0.000 0.239 1205 I C 2.560 178.614 176.117 -0.105 0.000 1.066 1205 I CA 1.200 62.489 61.300 -0.019 0.000 1.324 1205 I CB -0.409 37.584 38.000 -0.012 0.000 1.037 1205 I HN 0.087 nan 8.210 nan 0.000 0.401 1206 A N 0.264 122.987 122.820 -0.161 0.000 2.076 1206 A HA -0.188 4.133 4.320 0.001 0.000 0.220 1206 A C 2.055 179.431 177.584 -0.347 0.000 1.160 1206 A CA 2.175 54.071 52.037 -0.235 0.000 0.653 1206 A CB -0.934 17.920 19.000 -0.244 0.000 0.801 1206 A HN 0.587 nan 8.150 nan 0.000 0.455 1207 T N -3.692 110.588 114.554 -0.457 0.000 3.134 1207 T HA 0.478 4.828 4.350 0.001 0.000 0.260 1207 T C 0.448 174.987 174.700 -0.270 0.000 1.027 1207 T CA 0.043 61.847 62.100 -0.494 0.000 0.913 1207 T CB -0.486 67.825 68.868 -0.929 0.000 1.046 1207 T HN 0.518 nan 8.240 nan 0.000 0.553 1208 L N 0.673 121.786 121.223 -0.183 0.000 3.660 1208 L HA -0.257 4.083 4.340 0.001 0.000 0.440 1208 L C 0.838 177.669 176.870 -0.065 0.000 1.262 1208 L CA 0.196 54.967 54.840 -0.115 0.000 0.837 1208 L CB -2.368 39.621 42.059 -0.118 0.000 1.689 1208 L HN 0.828 nan 8.230 nan 0.000 0.890 1209 A N -0.647 122.156 122.820 -0.029 0.000 2.648 1209 A HA -0.182 4.139 4.320 0.001 0.000 0.297 1209 A C 0.680 178.322 177.584 0.097 0.000 1.467 1209 A CA 1.578 53.661 52.037 0.077 0.000 0.731 1209 A CB -1.073 17.988 19.000 0.103 0.000 1.085 1209 A HN 0.671 nan 8.150 nan 0.000 0.437 1210 E N -0.215 120.025 120.200 0.066 0.000 2.312 1210 E HA 0.335 4.685 4.350 0.001 0.000 0.259 1210 E C 0.498 177.288 176.600 0.317 0.000 1.122 1210 E CA -0.663 55.815 56.400 0.130 0.000 0.922 1210 E CB 0.574 30.305 29.700 0.050 0.000 1.109 1210 E HN 0.660 nan 8.360 nan 0.000 0.442 1211 Q N 1.784 121.732 119.800 0.247 0.000 2.288 1211 Q HA 0.172 4.513 4.340 0.001 0.000 0.258 1211 Q C -2.357 173.685 176.000 0.069 0.000 0.957 1211 Q CA -1.898 54.017 55.803 0.188 0.000 0.919 1211 Q CB 0.676 29.495 28.738 0.135 0.000 1.185 1211 Q HN 0.059 nan 8.270 nan 0.000 0.408 1212 P HA -0.063 nan 4.420 nan 0.000 0.268 1212 P C -1.359 175.642 177.300 -0.499 0.000 1.204 1212 P CA 0.406 62.983 63.100 -0.873 0.000 0.768 1212 P CB 0.136 31.175 31.700 -1.101 0.000 0.842 1213 Y N -0.569 119.471 120.300 -0.433 0.000 3.929 1213 Y HA -0.261 4.290 4.550 0.001 0.000 0.225 1213 Y C 0.902 176.701 175.900 -0.169 0.000 1.200 1213 Y CA 0.410 58.339 58.100 -0.285 0.000 1.791 1213 Y CB -2.734 35.566 38.460 -0.267 0.000 1.561 1213 Y HN 0.447 nan 8.280 nan 0.000 0.657 1214 Q N 0.782 120.570 119.800 -0.020 0.000 2.269 1214 Q HA 0.291 4.631 4.340 0.001 0.000 0.300 1214 Q C 1.452 177.456 176.000 0.007 0.000 1.070 1214 Q CA 1.526 57.345 55.803 0.026 0.000 0.957 1214 Q CB 0.291 29.068 28.738 0.066 0.000 1.131 1214 Q HN 0.799 nan 8.270 nan 0.000 0.377 1215 G N 3.141 111.945 108.800 0.006 0.000 2.284 1215 G HA2 -0.221 3.740 3.960 0.001 0.000 0.216 1215 G HA3 -0.221 3.740 3.960 0.001 0.000 0.216 1215 G C -0.126 174.757 174.900 -0.028 0.000 1.009 1215 G CA -0.064 45.029 45.100 -0.011 0.000 0.625 1215 G HN 0.537 nan 8.290 nan 0.000 0.501 1216 L N 2.223 123.423 121.223 -0.037 0.000 2.343 1216 L HA 0.642 4.983 4.340 0.001 0.000 0.275 1216 L C 1.280 178.131 176.870 -0.032 0.000 1.056 1216 L CA -0.291 54.512 54.840 -0.061 0.000 0.804 1216 L CB 1.722 43.709 42.059 -0.120 0.000 1.203 1216 L HN 0.443 nan 8.230 nan 0.000 0.440 1217 S N 0.470 116.149 115.700 -0.034 0.000 2.603 1217 S HA 0.156 4.626 4.470 0.001 0.000 0.268 1217 S C 0.804 175.388 174.600 -0.025 0.000 1.317 1217 S CA -0.737 57.454 58.200 -0.016 0.000 1.012 1217 S CB 0.981 64.173 63.200 -0.013 0.000 0.926 1217 S HN 0.616 nan 8.310 nan 0.000 0.539 1218 N N 1.127 119.825 118.700 -0.004 0.000 2.149 1218 N HA -0.155 4.586 4.740 0.001 0.000 0.188 1218 N C 1.608 177.099 175.510 -0.031 0.000 1.019 1218 N CA 1.167 54.212 53.050 -0.009 0.000 0.857 1218 N CB -0.347 38.158 38.487 0.030 0.000 0.997 1218 N HN 0.764 nan 8.380 nan 0.000 0.426 1219 E N 1.493 121.681 120.200 -0.020 0.000 2.085 1219 E HA -0.182 4.169 4.350 0.001 0.000 0.194 1219 E C 1.573 178.152 176.600 -0.034 0.000 0.994 1219 E CA 1.229 57.616 56.400 -0.022 0.000 0.801 1219 E CB 0.098 29.791 29.700 -0.013 0.000 0.743 1219 E HN 0.504 nan 8.360 nan 0.000 0.453 1220 Q N -0.297 119.478 119.800 -0.042 0.000 2.172 1220 Q HA -0.051 4.290 4.340 0.001 0.000 0.200 1220 Q C 2.332 178.295 176.000 -0.062 0.000 0.964 1220 Q CA 0.968 56.743 55.803 -0.047 0.000 0.855 1220 Q CB 0.193 28.893 28.738 -0.062 0.000 0.918 1220 Q HN 0.130 nan 8.270 nan 0.000 0.444 1221 V N 1.465 121.309 119.914 -0.117 0.000 2.358 1221 V HA -0.231 3.890 4.120 0.001 0.000 0.246 1221 V C 2.163 178.155 176.094 -0.169 0.000 1.047 1221 V CA 1.115 63.280 62.300 -0.225 0.000 1.035 1221 V CB -0.557 31.057 31.823 -0.348 0.000 0.658 1221 V HN 0.420 nan 8.190 nan 0.000 0.452 1222 L N 0.617 121.771 121.223 -0.115 0.000 1.997 1222 L HA -0.241 4.099 4.340 0.001 0.000 0.216 1222 L C 2.637 179.460 176.870 -0.080 0.000 1.074 1222 L CA 2.271 57.053 54.840 -0.097 0.000 0.763 1222 L CB -0.955 41.068 42.059 -0.060 0.000 0.890 1222 L HN 0.308 nan 8.230 nan 0.000 0.434 1223 R N -1.670 118.807 120.500 -0.038 0.000 2.066 1223 R HA -0.190 4.151 4.340 0.001 0.000 0.232 1223 R C 2.164 178.475 176.300 0.018 0.000 1.131 1223 R CA 1.459 57.552 56.100 -0.012 0.000 0.955 1223 R CB -0.615 29.689 30.300 0.006 0.000 0.851 1223 R HN 0.305 nan 8.270 nan 0.000 0.432 1224 F N 1.505 121.377 119.950 -0.130 0.000 2.027 1224 F HA -0.296 4.231 4.527 0.001 0.000 0.297 1224 F C 2.089 177.822 175.800 -0.112 0.000 1.129 1224 F CA 1.680 59.606 58.000 -0.122 0.000 1.195 1224 F CB -0.670 38.228 39.000 -0.169 0.000 0.960 1224 F HN -0.269 nan 8.300 nan 0.000 0.485 1225 V N 0.691 120.490 119.914 -0.192 0.000 2.332 1225 V HA -0.373 3.748 4.120 0.001 0.000 0.248 1225 V C 2.542 178.538 176.094 -0.163 0.000 1.055 1225 V CA 2.339 64.484 62.300 -0.258 0.000 1.038 1225 V CB -0.672 31.002 31.823 -0.250 0.000 0.651 1225 V HN 0.449 nan 8.190 nan 0.000 0.450 1226 M N -0.887 118.638 119.600 -0.125 0.000 2.374 1226 M HA -0.142 4.339 4.480 0.001 0.000 0.264 1226 M C 1.732 178.059 176.300 0.044 0.000 1.067 1226 M CA 1.407 56.685 55.300 -0.038 0.000 1.103 1226 M CB -0.217 32.346 32.600 -0.062 0.000 1.402 1226 M HN 0.369 nan 8.290 nan 0.000 0.444 1227 E N -0.663 119.493 120.200 -0.074 0.000 2.465 1227 E HA 0.105 4.456 4.350 0.001 0.000 0.191 1227 E C 0.992 177.459 176.600 -0.221 0.000 1.053 1227 E CA 0.253 56.573 56.400 -0.134 0.000 0.869 1227 E CB 0.252 29.884 29.700 -0.114 0.000 0.977 1227 E HN 0.634 nan 8.360 nan 0.000 0.483 1228 G N 0.839 109.543 108.800 -0.160 0.000 2.175 1228 G HA2 -0.237 3.724 3.960 0.001 0.000 0.244 1228 G HA3 -0.237 3.724 3.960 0.001 0.000 0.244 1228 G C 0.518 175.252 174.900 -0.277 0.000 0.982 1228 G CA -0.304 44.700 45.100 -0.162 0.000 0.641 1228 G HN 0.461 nan 8.290 nan 0.000 0.527 1229 G N -0.337 108.065 108.800 -0.663 0.000 2.491 1229 G HA2 0.583 4.544 3.960 0.001 0.000 0.242 1229 G HA3 0.583 4.544 3.960 0.001 0.000 0.242 1229 G C 0.038 174.498 174.900 -0.733 0.000 1.266 1229 G CA 0.034 44.266 45.100 -1.446 0.000 0.844 1229 G HN 0.732 nan 8.290 nan 0.000 0.571 1230 L N 0.331 121.388 121.223 -0.277 0.000 2.303 1230 L HA 0.473 4.814 4.340 0.001 0.000 0.256 1230 L C -0.012 176.910 176.870 0.088 0.000 1.034 1230 L CA -1.066 53.725 54.840 -0.082 0.000 0.832 1230 L CB 1.936 43.967 42.059 -0.047 0.000 1.403 1230 L HN 0.306 nan 8.230 nan 0.000 0.419 1231 L N 0.651 121.636 121.223 -0.397 0.000 2.436 1231 L HA 0.178 4.519 4.340 0.001 0.000 0.265 1231 L C -0.362 176.556 176.870 0.080 0.000 1.168 1231 L CA -0.322 54.239 54.840 -0.464 0.000 0.815 1231 L CB 0.481 41.806 42.059 -1.224 0.000 1.109 1231 L HN 0.465 nan 8.230 nan 0.000 0.462 1232 D N 1.397 121.888 120.400 0.151 0.000 2.339 1232 D HA 0.068 4.708 4.640 0.001 0.000 0.245 1232 D C 0.016 176.466 176.300 0.249 0.000 1.115 1232 D CA -0.169 53.962 54.000 0.219 0.000 0.917 1232 D CB 0.736 41.617 40.800 0.136 0.000 1.192 1232 D HN 0.247 nan 8.370 nan 0.000 0.428 1233 K N 2.102 122.392 120.400 -0.183 0.000 2.378 1233 K HA 0.171 4.492 4.320 0.001 0.000 0.288 1233 K C -2.339 174.078 176.600 -0.305 0.000 1.057 1233 K CA -1.217 54.632 56.287 -0.729 0.000 0.971 1233 K CB 0.264 31.962 32.500 -1.336 0.000 0.975 1233 K HN 0.082 nan 8.250 nan 0.000 0.475 1234 P HA -0.100 nan 4.420 nan 0.000 0.266 1234 P C -0.001 177.169 177.300 -0.217 0.000 1.186 1234 P CA -0.103 62.837 63.100 -0.267 0.000 0.767 1234 P CB 0.533 31.993 31.700 -0.399 0.000 0.820 1235 D N 1.613 121.908 120.400 -0.175 0.000 2.268 1235 D HA -0.225 4.415 4.640 0.001 0.000 0.189 1235 D C 0.297 176.521 176.300 -0.126 0.000 1.010 1235 D CA 1.938 55.858 54.000 -0.133 0.000 0.862 1235 D CB -0.428 40.304 40.800 -0.114 0.000 0.943 1235 D HN 0.502 nan 8.370 nan 0.000 0.451 1236 N N -1.091 117.531 118.700 -0.130 0.000 2.497 1236 N HA 0.134 4.874 4.740 0.001 0.000 0.284 1236 N C -0.885 174.559 175.510 -0.109 0.000 1.459 1236 N CA -0.239 52.747 53.050 -0.106 0.000 0.899 1236 N CB 0.890 39.325 38.487 -0.087 0.000 1.316 1236 N HN 0.073 nan 8.380 nan 0.000 0.500 1237 C N 2.016 121.234 119.300 -0.137 0.000 2.648 1237 C HA 0.244 4.705 4.460 0.001 0.000 0.419 1237 C C -1.880 173.070 174.990 -0.067 0.000 1.352 1237 C CA -1.291 57.657 59.018 -0.117 0.000 1.816 1237 C CB -0.281 27.372 27.740 -0.146 0.000 2.598 1237 C HN 0.342 nan 8.230 nan 0.000 0.598 1238 P HA 0.098 nan 4.420 nan 0.000 0.265 1238 P C 0.357 177.672 177.300 0.025 0.000 1.193 1238 P CA 0.380 63.470 63.100 -0.016 0.000 0.765 1238 P CB 0.539 32.227 31.700 -0.020 0.000 0.823 1239 D N 2.317 122.735 120.400 0.030 0.000 2.106 1239 D HA -0.205 4.436 4.640 0.001 0.000 0.191 1239 D C 1.662 178.009 176.300 0.078 0.000 0.997 1239 D CA 1.395 55.439 54.000 0.074 0.000 0.834 1239 D CB -0.477 40.352 40.800 0.047 0.000 0.956 1239 D HN 0.361 nan 8.370 nan 0.000 0.448 1240 M N 0.172 119.790 119.600 0.030 0.000 2.108 1240 M HA -0.169 4.312 4.480 0.001 0.000 0.261 1240 M C 1.987 178.283 176.300 -0.006 0.000 1.066 1240 M CA 1.192 56.495 55.300 0.005 0.000 1.107 1240 M CB -0.436 32.159 32.600 -0.009 0.000 1.356 1240 M HN 0.073 nan 8.290 nan 0.000 0.406 1241 L N 0.416 121.644 121.223 0.008 0.000 2.046 1241 L HA -0.168 4.172 4.340 0.001 0.000 0.208 1241 L C 2.246 179.120 176.870 0.007 0.000 1.077 1241 L CA 1.776 56.610 54.840 -0.010 0.000 0.747 1241 L CB -1.257 40.797 42.059 -0.009 0.000 0.896 1241 L HN 0.371 nan 8.230 nan 0.000 0.432 1242 F N 0.110 120.003 119.950 -0.095 0.000 2.365 1242 F HA -0.124 4.403 4.527 0.001 0.000 0.300 1242 F C 2.297 178.022 175.800 -0.125 0.000 1.090 1242 F CA 1.054 58.996 58.000 -0.096 0.000 1.408 1242 F CB -0.154 38.827 39.000 -0.032 0.000 1.060 1242 F HN 0.179 nan 8.300 nan 0.000 0.534 1243 E N 0.543 120.660 120.200 -0.138 0.000 2.051 1243 E HA -0.225 4.126 4.350 0.001 0.000 0.192 1243 E C 2.552 178.974 176.600 -0.296 0.000 0.991 1243 E CA 1.229 57.501 56.400 -0.215 0.000 0.799 1243 E CB -0.916 28.726 29.700 -0.097 0.000 0.748 1243 E HN 0.427 nan 8.360 nan 0.000 0.449 1244 L N 0.333 121.413 121.223 -0.239 0.000 1.971 1244 L HA -0.251 4.089 4.340 0.001 0.000 0.215 1244 L C 2.751 179.348 176.870 -0.454 0.000 1.072 1244 L CA 1.365 56.058 54.840 -0.244 0.000 0.758 1244 L CB -0.339 41.631 42.059 -0.148 0.000 0.889 1244 L HN 0.191 nan 8.230 nan 0.000 0.433 1245 M N -1.110 118.103 119.600 -0.644 0.000 2.110 1245 M HA -0.335 4.146 4.480 0.001 0.000 0.257 1245 M C 2.391 177.863 176.300 -1.380 0.000 1.071 1245 M CA 1.957 56.499 55.300 -1.265 0.000 1.096 1245 M CB -0.576 31.284 32.600 -1.234 0.000 1.300 1245 M HN 0.142 nan 8.290 nan 0.000 0.411 1246 R N -0.610 119.326 120.500 -0.940 0.000 2.139 1246 R HA -0.144 4.197 4.340 0.001 0.000 0.243 1246 R C 2.116 178.222 176.300 -0.323 0.000 1.145 1246 R CA 1.253 57.034 56.100 -0.531 0.000 0.976 1246 R CB -0.171 29.816 30.300 -0.521 0.000 0.866 1246 R HN 0.361 nan 8.270 nan 0.000 0.449 1247 M N -0.672 118.725 119.600 -0.339 0.000 2.236 1247 M HA -0.088 4.392 4.480 0.001 0.000 0.266 1247 M C 2.206 178.394 176.300 -0.187 0.000 1.070 1247 M CA 1.068 56.247 55.300 -0.201 0.000 1.137 1247 M CB -0.671 31.830 32.600 -0.165 0.000 1.378 1247 M HN 0.204 nan 8.290 nan 0.000 0.426 1248 C N -1.013 118.089 119.300 -0.330 0.000 2.437 1248 C HA -0.117 4.343 4.460 0.001 0.000 0.283 1248 C C 1.632 176.534 174.990 -0.146 0.000 1.424 1248 C CA 0.052 58.914 59.018 -0.260 0.000 1.782 1248 C CB -1.247 26.279 27.740 -0.358 0.000 1.833 1248 C HN 0.583 nan 8.230 nan 0.000 0.532 1249 W N 0.445 121.570 121.300 -0.292 0.000 3.194 1249 W HA 0.310 4.971 4.660 0.001 0.000 0.408 1249 W C 0.500 177.039 176.519 0.034 0.000 1.072 1249 W CA -0.683 56.409 57.345 -0.421 0.000 1.953 1249 W CB -1.040 28.015 29.460 -0.675 0.000 1.091 1249 W HN 0.291 nan 8.180 nan 0.000 0.699 1250 Q N 0.307 120.250 119.800 0.239 0.000 2.300 1250 Q HA -0.113 4.227 4.340 0.001 0.000 0.280 1250 Q C 1.073 177.259 176.000 0.309 0.000 1.033 1250 Q CA 0.213 56.141 55.803 0.208 0.000 0.903 1250 Q CB 0.560 29.351 28.738 0.089 0.000 1.195 1250 Q HN 0.330 nan 8.270 nan 0.000 0.386 1251 Y N 3.185 123.586 120.300 0.168 0.000 2.165 1251 Y HA -0.259 4.291 4.550 0.001 0.000 0.286 1251 Y C 0.918 176.839 175.900 0.035 0.000 1.155 1251 Y CA 1.722 59.889 58.100 0.111 0.000 1.164 1251 Y CB 0.241 38.719 38.460 0.030 0.000 0.978 1251 Y HN 0.629 nan 8.280 nan 0.000 0.513 1252 N N 0.877 119.660 118.700 0.138 0.000 2.411 1252 N HA 0.104 4.845 4.740 0.001 0.000 0.259 1252 N C -2.158 173.313 175.510 -0.065 0.000 1.103 1252 N CA -2.101 50.958 53.050 0.015 0.000 0.954 1252 N CB 1.267 39.771 38.487 0.029 0.000 1.085 1252 N HN -0.053 nan 8.380 nan 0.000 0.485 1253 P HA -0.219 nan 4.420 nan 0.000 0.216 1253 P C 0.728 177.723 177.300 -0.510 0.000 1.154 1253 P CA 1.600 64.571 63.100 -0.215 0.000 0.865 1253 P CB 0.248 31.863 31.700 -0.141 0.000 0.789 1254 K N -1.595 118.500 120.400 -0.509 0.000 2.280 1254 K HA -0.057 4.263 4.320 0.001 0.000 0.202 1254 K C 1.776 178.205 176.600 -0.284 0.000 1.047 1254 K CA 1.077 57.059 56.287 -0.509 0.000 0.942 1254 K CB -0.695 31.627 32.500 -0.296 0.000 0.739 1254 K HN 0.232 nan 8.250 nan 0.000 0.457 1255 M N 0.518 120.010 119.600 -0.180 0.000 2.558 1255 M HA 0.008 4.489 4.480 0.001 0.000 0.255 1255 M C 0.125 176.373 176.300 -0.087 0.000 1.113 1255 M CA 0.647 55.888 55.300 -0.098 0.000 1.097 1255 M CB 0.163 32.737 32.600 -0.043 0.000 1.426 1255 M HN -0.121 nan 8.290 nan 0.000 0.488 1256 R N 1.408 121.845 120.500 -0.105 0.000 2.490 1256 R HA 0.312 4.652 4.340 0.001 0.000 0.278 1256 R C -2.209 174.035 176.300 -0.094 0.000 1.069 1256 R CA -1.566 54.490 56.100 -0.073 0.000 1.080 1256 R CB -0.296 29.994 30.300 -0.017 0.000 1.030 1256 R HN 0.114 nan 8.270 nan 0.000 0.491 1257 P HA 0.039 nan 4.420 nan 0.000 0.276 1257 P C -0.684 176.528 177.300 -0.148 0.000 1.252 1257 P CA -0.452 62.588 63.100 -0.100 0.000 0.802 1257 P CB 1.200 32.839 31.700 -0.102 0.000 1.035 1258 S N 0.072 115.712 115.700 -0.100 0.000 2.681 1258 S HA 0.270 4.740 4.470 0.001 0.000 0.270 1258 S C 1.058 175.530 174.600 -0.212 0.000 1.209 1258 S CA -0.398 57.725 58.200 -0.128 0.000 0.988 1258 S CB -0.053 63.170 63.200 0.039 0.000 1.006 1258 S HN 0.227 nan 8.310 nan 0.000 0.558 1259 F N 0.127 120.053 119.950 -0.039 0.000 2.234 1259 F HA 0.084 4.611 4.527 0.001 0.000 0.299 1259 F C 2.004 177.788 175.800 -0.027 0.000 1.087 1259 F CA 0.836 58.759 58.000 -0.128 0.000 1.340 1259 F CB -0.697 38.228 39.000 -0.124 0.000 1.031 1259 F HN 0.425 nan 8.300 nan 0.000 0.500 1260 L N -0.486 120.885 121.223 0.246 0.000 2.093 1260 L HA -0.172 4.169 4.340 0.001 0.000 0.208 1260 L C 2.230 179.199 176.870 0.165 0.000 1.085 1260 L CA 1.351 56.361 54.840 0.283 0.000 0.755 1260 L CB -0.563 41.678 42.059 0.304 0.000 0.904 1260 L HN 0.153 nan 8.230 nan 0.000 0.435 1261 E N -0.030 120.219 120.200 0.083 0.000 2.107 1261 E HA -0.173 4.178 4.350 0.001 0.000 0.191 1261 E C 2.259 178.844 176.600 -0.024 0.000 0.982 1261 E CA 0.748 57.167 56.400 0.031 0.000 0.809 1261 E CB 0.137 29.840 29.700 0.006 0.000 0.756 1261 E HN 0.349 nan 8.360 nan 0.000 0.459 1262 I N 1.253 121.789 120.570 -0.056 0.000 2.142 1262 I HA -0.273 3.898 4.170 0.001 0.000 0.240 1262 I C 2.443 178.506 176.117 -0.090 0.000 1.078 1262 I CA 1.432 62.688 61.300 -0.074 0.000 1.343 1262 I CB -0.862 37.066 38.000 -0.120 0.000 1.046 1262 I HN 0.153 nan 8.210 nan 0.000 0.405 1263 I N 0.299 120.793 120.570 -0.128 0.000 2.127 1263 I HA -0.334 3.836 4.170 0.001 0.000 0.241 1263 I C 2.848 178.732 176.117 -0.388 0.000 1.075 1263 I CA 1.626 62.751 61.300 -0.293 0.000 1.334 1263 I CB -0.516 37.234 38.000 -0.417 0.000 1.040 1263 I HN 0.214 nan 8.210 nan 0.000 0.405 1264 S N 0.732 116.242 115.700 -0.317 0.000 2.380 1264 S HA -0.266 4.204 4.470 0.001 0.000 0.229 1264 S C 2.143 176.696 174.600 -0.079 0.000 1.043 1264 S CA 2.287 60.403 58.200 -0.140 0.000 1.038 1264 S CB -0.452 62.793 63.200 0.075 0.000 0.872 1264 S HN 0.621 nan 8.310 nan 0.000 0.456 1265 S N 0.721 116.379 115.700 -0.070 0.000 2.561 1265 S HA 0.103 4.574 4.470 0.001 0.000 0.225 1265 S C 1.443 176.008 174.600 -0.059 0.000 0.977 1265 S CA 0.593 58.765 58.200 -0.046 0.000 0.926 1265 S CB -0.661 62.515 63.200 -0.039 0.000 0.769 1265 S HN 0.849 nan 8.310 nan 0.000 0.533 1266 I N -2.328 118.183 120.570 -0.099 0.000 4.442 1266 I HA 0.339 4.510 4.170 0.001 0.000 0.331 1266 I C 1.581 177.615 176.117 -0.137 0.000 1.364 1266 I CA -0.502 60.737 61.300 -0.102 0.000 1.207 1266 I CB 0.040 37.978 38.000 -0.103 0.000 1.298 1266 I HN 0.089 nan 8.210 nan 0.000 0.463 1267 K N 1.403 121.709 120.400 -0.156 0.000 2.127 1267 K HA -0.197 4.124 4.320 0.001 0.000 0.208 1267 K C 1.391 177.996 176.600 0.009 0.000 1.047 1267 K CA 2.017 58.235 56.287 -0.114 0.000 0.927 1267 K CB -0.401 32.080 32.500 -0.033 0.000 0.716 1267 K HN 0.210 nan 8.250 nan 0.000 0.450 1268 E N 1.260 121.476 120.200 0.027 0.000 2.204 1268 E HA -0.097 4.253 4.350 0.001 0.000 0.195 1268 E C 0.984 177.590 176.600 0.011 0.000 0.990 1268 E CA 1.084 57.510 56.400 0.045 0.000 0.821 1268 E CB 0.057 29.781 29.700 0.040 0.000 0.750 1268 E HN 0.477 nan 8.360 nan 0.000 0.477 1269 E N -0.516 119.667 120.200 -0.028 0.000 2.437 1269 E HA 0.037 4.388 4.350 0.001 0.000 0.189 1269 E C 0.046 176.608 176.600 -0.063 0.000 1.054 1269 E CA -0.134 56.243 56.400 -0.038 0.000 0.874 1269 E CB 0.217 29.890 29.700 -0.044 0.000 1.011 1269 E HN 0.160 nan 8.360 nan 0.000 0.474 1270 M N 0.835 120.386 119.600 -0.082 0.000 2.371 1270 M HA 0.229 4.710 4.480 0.001 0.000 0.301 1270 M C 0.572 176.873 176.300 0.002 0.000 1.173 1270 M CA -0.350 54.873 55.300 -0.129 0.000 1.020 1270 M CB 0.630 33.022 32.600 -0.348 0.000 1.490 1270 M HN -0.084 nan 8.290 nan 0.000 0.485 1271 E N 1.069 121.297 120.200 0.046 0.000 2.392 1271 E HA 0.061 4.412 4.350 0.001 0.000 0.256 1271 E C -1.545 175.143 176.600 0.147 0.000 1.145 1271 E CA -1.381 55.077 56.400 0.097 0.000 0.929 1271 E CB 0.210 29.981 29.700 0.118 0.000 0.998 1271 E HN 0.370 nan 8.360 nan 0.000 0.442 1272 P HA -0.115 nan 4.420 nan 0.000 0.217 1272 P C 1.164 178.529 177.300 0.108 0.000 1.150 1272 P CA 1.173 64.328 63.100 0.092 0.000 0.832 1272 P CB 0.094 31.827 31.700 0.055 0.000 0.787 1273 G N -1.142 107.733 108.800 0.125 0.000 2.443 1273 G HA2 -0.273 3.687 3.960 0.001 0.000 0.219 1273 G HA3 -0.273 3.687 3.960 0.001 0.000 0.219 1273 G C 1.327 176.323 174.900 0.159 0.000 1.131 1273 G CA 0.026 45.190 45.100 0.107 0.000 0.775 1273 G HN 0.144 nan 8.290 nan 0.000 0.547 1274 F N 1.704 121.726 119.950 0.119 0.000 2.115 1274 F HA -0.217 4.310 4.527 0.001 0.000 0.300 1274 F C 2.610 178.558 175.800 0.246 0.000 1.092 1274 F CA 2.102 60.229 58.000 0.212 0.000 1.245 1274 F CB -0.147 38.989 39.000 0.228 0.000 0.995 1274 F HN 0.158 nan 8.300 nan 0.000 0.481 1275 R N 0.362 120.937 120.500 0.124 0.000 2.159 1275 R HA -0.182 4.158 4.340 0.001 0.000 0.237 1275 R C 1.942 178.176 176.300 -0.110 0.000 1.131 1275 R CA 1.999 58.017 56.100 -0.136 0.000 0.982 1275 R CB -0.295 29.755 30.300 -0.417 0.000 0.868 1275 R HN 0.490 nan 8.270 nan 0.000 0.453 1276 E N -0.351 119.799 120.200 -0.084 0.000 2.170 1276 E HA -0.088 4.262 4.350 0.001 0.000 0.191 1276 E C 1.792 178.318 176.600 -0.123 0.000 0.981 1276 E CA 1.174 57.519 56.400 -0.091 0.000 0.830 1276 E CB 0.329 29.981 29.700 -0.080 0.000 0.775 1276 E HN 0.359 nan 8.360 nan 0.000 0.470 1277 V N -0.615 119.196 119.914 -0.171 0.000 3.644 1277 V HA 0.106 4.227 4.120 0.001 0.000 0.267 1277 V C 0.988 176.993 176.094 -0.148 0.000 1.277 1277 V CA -0.082 62.057 62.300 -0.268 0.000 1.096 1277 V CB 0.079 31.532 31.823 -0.617 0.000 0.828 1277 V HN 0.096 nan 8.190 nan 0.000 0.446 1278 S N 0.109 115.697 115.700 -0.187 0.000 2.576 1278 S HA 0.292 4.763 4.470 0.001 0.000 0.276 1278 S C 0.609 175.237 174.600 0.048 0.000 1.339 1278 S CA 0.068 58.168 58.200 -0.167 0.000 1.039 1278 S CB 0.838 63.427 63.200 -1.018 0.000 0.902 1278 S HN 0.477 nan 8.310 nan 0.000 0.516 1279 F N 2.807 122.807 119.950 0.085 0.000 2.206 1279 F HA -0.016 4.512 4.527 0.001 0.000 0.298 1279 F C 1.892 177.764 175.800 0.119 0.000 1.090 1279 F CA 1.129 59.207 58.000 0.129 0.000 1.323 1279 F CB -0.833 38.307 39.000 0.233 0.000 1.028 1279 F HN 0.838 nan 8.300 nan 0.000 0.492 1280 Y N 0.022 120.214 120.300 -0.180 0.000 2.069 1280 Y HA -0.350 4.201 4.550 0.001 0.000 0.278 1280 Y C 1.711 177.369 175.900 -0.404 0.000 1.175 1280 Y CA 2.412 60.309 58.100 -0.338 0.000 1.134 1280 Y CB -0.925 37.435 38.460 -0.167 0.000 0.965 1280 Y HN 0.173 nan 8.280 nan 0.000 0.498 1281 Y N 0.512 120.739 120.300 -0.122 0.000 2.471 1281 Y HA 0.087 4.638 4.550 0.001 0.000 0.286 1281 Y C 1.308 177.095 175.900 -0.187 0.000 1.188 1281 Y CA -0.293 57.712 58.100 -0.160 0.000 1.286 1281 Y CB -0.125 38.307 38.460 -0.046 0.000 1.072 1281 Y HN 0.054 nan 8.280 nan 0.000 0.517 1282 S N -0.578 115.051 115.700 -0.118 0.000 2.645 1282 S HA 0.071 4.542 4.470 0.001 0.000 0.266 1282 S C 1.092 175.625 174.600 -0.111 0.000 1.258 1282 S CA -0.767 57.383 58.200 -0.084 0.000 0.990 1282 S CB 1.117 64.297 63.200 -0.034 0.000 0.967 1282 S HN 0.239 nan 8.310 nan 0.000 0.556 1283 E N 0.642 120.817 120.200 -0.041 0.000 2.208 1283 E HA -0.123 4.228 4.350 0.001 0.000 0.193 1283 E C 1.703 178.290 176.600 -0.023 0.000 0.988 1283 E CA 0.816 57.199 56.400 -0.030 0.000 0.828 1283 E CB -0.307 29.393 29.700 0.001 0.000 0.763 1283 E HN 0.892 nan 8.360 nan 0.000 0.478 1284 E N 1.282 121.492 120.200 0.018 0.000 2.153 1284 E HA -0.149 4.202 4.350 0.001 0.000 0.194 1284 E C 0.633 177.253 176.600 0.034 0.000 0.988 1284 E CA 0.174 56.642 56.400 0.113 0.000 0.811 1284 E CB 0.026 29.921 29.700 0.325 0.000 0.746 1284 E HN -0.034 nan 8.360 nan 0.000 0.466 1285 N N 1.091 119.616 118.700 -0.293 0.000 2.402 1285 N HA 0.040 4.780 4.740 0.001 0.000 0.259 1285 N C -0.963 174.427 175.510 -0.199 0.000 1.167 1285 N CA 0.311 53.086 53.050 -0.459 0.000 0.949 1285 N CB 0.398 38.311 38.487 -0.956 0.000 1.212 1285 N HN 0.004 nan 8.380 nan 0.000 0.493 1286 K N 0.000 120.372 120.400 -0.047 0.000 2.780 1286 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1286 K CA 0.000 56.276 56.287 -0.019 0.000 0.838 1286 K CB 0.000 32.483 32.500 -0.029 0.000 1.064 1286 K HN 0.000 nan 8.250 nan 0.000 0.543