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 1wvi_1_A DATA FIRST_RESID 1002 DATA SEQUENCE TYKGYLIDLD GTIYKGKDRI PAGEDFVKRL QERQLPYILV TNNTTRTPEM DATA SEQUENCE VQEMLATSFN IKTPLETIYT ATLATIDYMN DMKRGKTAYV IGETGLKKAV DATA SEQUENCE AEAGYREDSE NPAYVVVGLD TNLTYEKLTL ATLAIQKGAV FIGTNPDLNI DATA SEQUENCE PTERGLLPGA GAILFLLEKA TRVKPIIIGK PEAVIMNKAL DRLGVKRHEA DATA SEQUENCE IMVGDNYLTD ITAGIKNDIA TLLVTTGFTK PEEVPALPIQ PDFVLSSLAE DATA SEQUENCE WDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1002 T HA 0.000 nan 4.350 nan 0.000 0.228 1002 T C 0.000 174.582 174.700 -0.196 0.000 1.109 1002 T CA 0.000 62.016 62.100 -0.140 0.000 1.349 1002 T CB 0.000 68.857 68.868 -0.019 0.000 0.612 1003 Y N 2.427 122.830 120.300 0.173 0.000 2.316 1003 Y HA 0.383 4.933 4.550 0.000 0.000 0.331 1003 Y C 1.640 177.619 175.900 0.132 0.000 1.083 1003 Y CA -0.570 57.589 58.100 0.098 0.000 1.206 1003 Y CB 1.078 39.551 38.460 0.021 0.000 1.195 1003 Y HN 0.423 nan 8.280 nan 0.000 0.497 1004 K N 1.977 122.488 120.400 0.186 0.000 2.352 1004 K HA 0.264 4.584 4.320 0.000 0.000 0.194 1004 K C 0.542 177.257 176.600 0.192 0.000 1.038 1004 K CA 0.267 56.655 56.287 0.169 0.000 1.023 1004 K CB 0.736 33.280 32.500 0.072 0.000 0.840 1004 K HN 0.804 nan 8.250 nan 0.000 0.519 1005 G N 0.221 109.087 108.800 0.109 0.000 2.659 1005 G HA2 0.550 4.510 3.960 0.000 0.000 0.296 1005 G HA3 0.550 4.510 3.960 0.000 0.000 0.296 1005 G C -1.825 173.056 174.900 -0.032 0.000 1.369 1005 G CA -0.435 44.748 45.100 0.139 0.000 0.937 1005 G HN -0.088 nan 8.290 nan 0.000 0.485 1006 Y N 0.294 120.690 120.300 0.160 0.000 2.361 1006 Y HA 0.536 5.086 4.550 0.000 0.000 0.337 1006 Y C 0.129 176.111 175.900 0.136 0.000 0.965 1006 Y CA -0.786 57.403 58.100 0.148 0.000 1.091 1006 Y CB 2.298 40.890 38.460 0.220 0.000 1.182 1006 Y HN 0.278 nan 8.280 nan 0.000 0.450 1007 L N 5.530 126.844 121.223 0.152 0.000 2.282 1007 L HA 0.639 4.980 4.340 0.000 0.000 0.288 1007 L C -0.734 176.208 176.870 0.119 0.000 1.033 1007 L CA -0.522 54.387 54.840 0.116 0.000 0.807 1007 L CB 1.186 43.266 42.059 0.035 0.000 1.209 1007 L HN 0.541 nan 8.230 nan 0.000 0.423 1008 I N 1.637 122.291 120.570 0.140 0.000 2.533 1008 I HA 0.257 4.427 4.170 0.000 0.000 0.290 1008 I C -0.608 175.541 176.117 0.053 0.000 1.056 1008 I CA -0.721 60.635 61.300 0.093 0.000 1.057 1008 I CB 2.374 40.470 38.000 0.160 0.000 1.240 1008 I HN 0.470 nan 8.210 nan 0.000 0.423 1009 D N 4.343 124.735 120.400 -0.012 0.000 2.362 1009 D HA 0.289 4.929 4.640 0.000 0.000 0.242 1009 D C 0.409 176.687 176.300 -0.036 0.000 1.132 1009 D CA 0.161 54.141 54.000 -0.034 0.000 0.907 1009 D CB 1.273 42.027 40.800 -0.077 0.000 1.195 1009 D HN 0.387 nan 8.370 nan 0.000 0.429 1010 L N 0.982 122.187 121.223 -0.031 0.000 2.140 1010 L HA 0.124 4.464 4.340 0.000 0.000 0.201 1010 L C 0.632 177.328 176.870 -0.291 0.000 1.191 1010 L CA 0.030 54.867 54.840 -0.006 0.000 0.825 1010 L CB -0.372 41.763 42.059 0.126 0.000 0.970 1010 L HN 0.458 nan 8.230 nan 0.000 0.477 1011 D N -0.432 119.726 120.400 -0.403 0.000 2.450 1011 D HA 0.295 4.935 4.640 0.000 0.000 0.247 1011 D C 0.765 176.768 176.300 -0.495 0.000 1.162 1011 D CA 1.388 54.914 54.000 -0.790 0.000 0.879 1011 D CB 0.938 41.486 40.800 -0.421 0.000 1.163 1011 D HN 0.549 nan 8.370 nan 0.000 0.472 1012 G N 2.413 110.884 108.800 -0.548 0.000 2.234 1012 G HA2 -0.294 3.666 3.960 0.000 0.000 0.235 1012 G HA3 -0.294 3.666 3.960 0.000 0.000 0.235 1012 G C 1.143 175.904 174.900 -0.232 0.000 0.997 1012 G CA 0.578 45.509 45.100 -0.281 0.000 0.623 1012 G HN 0.572 nan 8.290 nan 0.000 0.514 1013 T N 0.400 114.790 114.554 -0.274 0.000 3.111 1013 T HA 0.281 4.631 4.350 0.000 0.000 0.236 1013 T C 2.144 176.735 174.700 -0.182 0.000 0.984 1013 T CA 1.136 63.113 62.100 -0.204 0.000 1.195 1013 T CB 0.010 68.769 68.868 -0.182 0.000 0.929 1013 T HN 0.823 nan 8.240 nan 0.000 0.431 1014 I N -0.303 120.177 120.570 -0.151 0.000 3.928 1014 I HA 0.459 4.629 4.170 0.000 0.000 0.335 1014 I C -0.186 175.921 176.117 -0.015 0.000 1.325 1014 I CA -0.653 60.620 61.300 -0.044 0.000 1.107 1014 I CB -0.050 37.978 38.000 0.046 0.000 1.014 1014 I HN 0.358 nan 8.210 nan 0.000 0.400 1015 Y N -0.582 119.544 120.300 -0.289 0.000 2.889 1015 Y HA 0.523 5.073 4.550 0.000 0.000 0.379 1015 Y C -1.788 173.966 175.900 -0.244 0.000 1.179 1015 Y CA -1.861 55.999 58.100 -0.400 0.000 1.178 1015 Y CB 0.499 38.331 38.460 -1.046 0.000 1.460 1015 Y HN 0.008 nan 8.280 nan 0.000 0.472 1016 K N 2.445 122.764 120.400 -0.136 0.000 2.637 1016 K HA 0.564 4.885 4.320 0.000 0.000 0.248 1016 K C 0.437 177.070 176.600 0.054 0.000 0.971 1016 K CA 0.134 56.333 56.287 -0.148 0.000 0.858 1016 K CB 1.292 33.744 32.500 -0.080 0.000 1.170 1016 K HN 1.738 nan 8.250 nan 0.000 0.443 1017 G N 3.901 112.740 108.800 0.066 0.000 2.583 1017 G HA2 -0.382 3.578 3.960 0.000 0.000 0.292 1017 G HA3 -0.382 3.578 3.960 0.000 0.000 0.292 1017 G C 0.268 175.361 174.900 0.323 0.000 1.203 1017 G CA 0.532 45.733 45.100 0.169 0.000 0.987 1017 G HN 0.589 nan 8.290 nan 0.000 0.554 1018 K N 1.806 122.352 120.400 0.243 0.000 2.361 1018 K HA 0.255 4.575 4.320 0.000 0.000 0.196 1018 K C 0.524 177.310 176.600 0.310 0.000 1.039 1018 K CA 0.850 57.292 56.287 0.259 0.000 1.001 1018 K CB 0.022 32.605 32.500 0.138 0.000 0.795 1018 K HN 0.505 nan 8.250 nan 0.000 0.495 1019 D N 1.568 122.122 120.400 0.257 0.000 2.339 1019 D HA 0.086 4.726 4.640 0.000 0.000 0.245 1019 D C 0.288 176.768 176.300 0.301 0.000 1.115 1019 D CA -0.092 54.044 54.000 0.226 0.000 0.917 1019 D CB 0.749 41.627 40.800 0.131 0.000 1.192 1019 D HN 0.098 nan 8.370 nan 0.000 0.428 1020 R N 0.476 121.140 120.500 0.274 0.000 2.782 1020 R HA 0.756 5.096 4.340 0.000 0.000 0.258 1020 R C -0.408 175.962 176.300 0.116 0.000 1.055 1020 R CA -0.923 55.322 56.100 0.242 0.000 1.065 1020 R CB 1.121 31.660 30.300 0.398 0.000 1.172 1020 R HN 0.311 nan 8.270 nan 0.000 0.510 1021 I N 1.782 122.394 120.570 0.071 0.000 2.495 1021 I HA 0.216 4.386 4.170 0.000 0.000 0.277 1021 I C -1.668 174.481 176.117 0.054 0.000 1.045 1021 I CA -2.390 58.934 61.300 0.039 0.000 1.135 1021 I CB 2.247 40.241 38.000 -0.009 0.000 1.241 1021 I HN 0.478 nan 8.210 nan 0.000 0.469 1022 P HA -0.271 nan 4.420 nan 0.000 0.217 1022 P C 1.409 178.750 177.300 0.068 0.000 1.151 1022 P CA 1.613 64.755 63.100 0.071 0.000 0.849 1022 P CB 0.422 32.159 31.700 0.062 0.000 0.787 1023 A N 0.255 123.109 122.820 0.057 0.000 1.933 1023 A HA -0.052 4.268 4.320 0.000 0.000 0.218 1023 A C 2.639 180.275 177.584 0.088 0.000 1.175 1023 A CA 2.034 54.112 52.037 0.069 0.000 0.628 1023 A CB -1.838 17.187 19.000 0.042 0.000 0.814 1023 A HN 0.319 nan 8.150 nan 0.000 0.444 1024 G N -0.306 108.522 108.800 0.045 0.000 2.404 1024 G HA2 -0.192 3.768 3.960 0.000 0.000 0.215 1024 G HA3 -0.192 3.768 3.960 0.000 0.000 0.215 1024 G C 1.396 176.361 174.900 0.108 0.000 1.174 1024 G CA 0.935 46.059 45.100 0.040 0.000 0.780 1024 G HN 0.651 nan 8.290 nan 0.000 0.537 1025 E N 0.304 120.558 120.200 0.089 0.000 2.085 1025 E HA -0.149 4.202 4.350 0.000 0.000 0.194 1025 E C 2.084 178.735 176.600 0.085 0.000 0.994 1025 E CA 1.180 57.635 56.400 0.092 0.000 0.801 1025 E CB -0.136 29.624 29.700 0.099 0.000 0.743 1025 E HN 0.475 nan 8.360 nan 0.000 0.453 1026 D N 0.018 120.477 120.400 0.098 0.000 2.144 1026 D HA -0.178 4.462 4.640 0.000 0.000 0.199 1026 D C 1.626 177.990 176.300 0.107 0.000 0.984 1026 D CA 0.665 54.718 54.000 0.087 0.000 0.834 1026 D CB -0.131 40.727 40.800 0.096 0.000 0.955 1026 D HN 0.108 nan 8.370 nan 0.000 0.465 1027 F N 0.179 120.132 119.950 0.006 0.000 2.095 1027 F HA -0.202 4.325 4.527 0.000 0.000 0.298 1027 F C 2.104 177.860 175.800 -0.075 0.000 1.104 1027 F CA 1.245 59.255 58.000 0.017 0.000 1.232 1027 F CB -0.177 38.809 39.000 -0.022 0.000 0.987 1027 F HN -0.102 nan 8.300 nan 0.000 0.475 1028 V N 0.567 120.479 119.914 -0.004 0.000 2.307 1028 V HA -0.305 3.815 4.120 0.000 0.000 0.245 1028 V C 2.262 178.177 176.094 -0.298 0.000 1.045 1028 V CA 2.196 64.342 62.300 -0.257 0.000 1.024 1028 V CB -0.712 31.026 31.823 -0.141 0.000 0.651 1028 V HN 0.276 nan 8.190 nan 0.000 0.449 1029 K N -0.123 120.191 120.400 -0.144 0.000 2.063 1029 K HA -0.178 4.142 4.320 0.000 0.000 0.208 1029 K C 2.396 178.885 176.600 -0.185 0.000 1.048 1029 K CA 1.477 57.691 56.287 -0.122 0.000 0.928 1029 K CB -0.281 32.191 32.500 -0.048 0.000 0.713 1029 K HN 0.373 nan 8.250 nan 0.000 0.442 1030 R N 0.794 121.168 120.500 -0.211 0.000 2.081 1030 R HA -0.078 4.263 4.340 0.000 0.000 0.235 1030 R C 2.406 178.379 176.300 -0.545 0.000 1.131 1030 R CA 1.110 57.036 56.100 -0.289 0.000 0.960 1030 R CB -0.398 29.807 30.300 -0.159 0.000 0.856 1030 R HN 0.170 nan 8.270 nan 0.000 0.436 1031 L N 0.672 121.489 121.223 -0.676 0.000 2.017 1031 L HA -0.243 4.097 4.340 0.000 0.000 0.208 1031 L C 2.553 179.176 176.870 -0.411 0.000 1.073 1031 L CA 1.542 55.937 54.840 -0.741 0.000 0.745 1031 L CB -0.392 41.192 42.059 -0.791 0.000 0.894 1031 L HN 0.255 nan 8.230 nan 0.000 0.432 1032 Q N -0.344 119.273 119.800 -0.306 0.000 2.124 1032 Q HA -0.241 4.099 4.340 0.000 0.000 0.202 1032 Q C 2.116 178.044 176.000 -0.119 0.000 0.977 1032 Q CA 1.586 57.320 55.803 -0.116 0.000 0.850 1032 Q CB -0.087 28.611 28.738 -0.066 0.000 0.901 1032 Q HN 0.539 nan 8.270 nan 0.000 0.429 1033 E N 0.121 120.220 120.200 -0.169 0.000 2.077 1033 E HA -0.143 4.207 4.350 0.000 0.000 0.193 1033 E C 1.794 178.303 176.600 -0.151 0.000 0.989 1033 E CA 0.655 56.972 56.400 -0.139 0.000 0.800 1033 E CB 0.142 29.759 29.700 -0.139 0.000 0.746 1033 E HN 0.191 nan 8.360 nan 0.000 0.452 1034 R N 0.442 120.800 120.500 -0.237 0.000 2.299 1034 R HA 0.037 4.377 4.340 0.000 0.000 0.197 1034 R C 0.301 176.520 176.300 -0.136 0.000 0.971 1034 R CA 0.239 56.210 56.100 -0.214 0.000 1.030 1034 R CB -0.258 29.827 30.300 -0.359 0.000 0.932 1034 R HN 0.283 nan 8.270 nan 0.000 0.477 1035 Q N 0.420 120.154 119.800 -0.110 0.000 2.487 1035 Q HA -0.157 4.183 4.340 0.000 0.000 0.279 1035 Q C -0.881 175.113 176.000 -0.010 0.000 1.228 1035 Q CA 0.402 56.182 55.803 -0.038 0.000 0.873 1035 Q CB -1.845 26.878 28.738 -0.025 0.000 1.260 1035 Q HN 0.325 nan 8.270 nan 0.000 0.471 1036 L N 2.069 123.271 121.223 -0.035 0.000 2.290 1036 L HA 0.395 4.735 4.340 0.000 0.000 0.284 1036 L C -1.427 175.552 176.870 0.182 0.000 1.078 1036 L CA -1.896 52.974 54.840 0.050 0.000 0.815 1036 L CB 0.408 42.453 42.059 -0.022 0.000 1.162 1036 L HN -0.060 nan 8.230 nan 0.000 0.435 1037 P HA 0.095 nan 4.420 nan 0.000 0.269 1037 P C -1.561 175.923 177.300 0.306 0.000 1.209 1037 P CA 0.171 63.369 63.100 0.162 0.000 0.776 1037 P CB 0.597 32.343 31.700 0.077 0.000 0.876 1038 Y N -0.035 120.317 120.300 0.087 0.000 2.592 1038 Y HA 0.722 5.272 4.550 0.000 0.000 0.334 1038 Y C -1.858 174.092 175.900 0.083 0.000 1.136 1038 Y CA -1.546 56.630 58.100 0.126 0.000 1.042 1038 Y CB 0.641 39.179 38.460 0.130 0.000 1.325 1038 Y HN 0.094 nan 8.280 nan 0.000 0.457 1039 I N 3.483 124.120 120.570 0.112 0.000 2.533 1039 I HA 0.383 4.553 4.170 0.000 0.000 0.290 1039 I C -1.369 174.852 176.117 0.173 0.000 1.056 1039 I CA -0.780 60.540 61.300 0.034 0.000 1.057 1039 I CB 2.069 40.066 38.000 -0.005 0.000 1.240 1039 I HN 0.512 nan 8.210 nan 0.000 0.423 1040 L N 6.876 128.205 121.223 0.178 0.000 2.265 1040 L HA 0.508 4.849 4.340 0.000 0.000 0.288 1040 L C -0.266 176.692 176.870 0.146 0.000 1.058 1040 L CA -0.507 54.443 54.840 0.183 0.000 0.809 1040 L CB 0.885 43.059 42.059 0.192 0.000 1.179 1040 L HN 0.200 nan 8.230 nan 0.000 0.429 1041 V N 2.557 122.540 119.914 0.115 0.000 2.409 1041 V HA 0.615 4.736 4.120 0.000 0.000 0.291 1041 V C 0.279 176.395 176.094 0.037 0.000 1.020 1041 V CA -0.456 61.901 62.300 0.095 0.000 0.848 1041 V CB 1.805 33.684 31.823 0.094 0.000 0.990 1041 V HN 0.879 nan 8.190 nan 0.000 0.430 1042 T N 2.424 116.984 114.554 0.010 0.000 2.900 1042 T HA 0.353 4.703 4.350 0.000 0.000 0.295 1042 T C 0.534 175.200 174.700 -0.056 0.000 1.044 1042 T CA -0.520 61.569 62.100 -0.018 0.000 0.995 1042 T CB 1.496 70.368 68.868 0.006 0.000 1.072 1042 T HN 0.702 nan 8.240 nan 0.000 0.473 1043 N N 2.471 121.132 118.700 -0.065 0.000 2.398 1043 N HA 0.047 4.787 4.740 0.000 0.000 0.188 1043 N C 0.217 175.683 175.510 -0.074 0.000 1.122 1043 N CA -0.206 52.795 53.050 -0.083 0.000 0.866 1043 N CB 0.086 38.520 38.487 -0.088 0.000 0.970 1043 N HN 0.556 nan 8.380 nan 0.000 0.462 1044 N N 0.657 119.325 118.700 -0.053 0.000 2.447 1044 N HA -0.045 4.695 4.740 0.000 0.000 0.263 1044 N C 0.845 176.326 175.510 -0.048 0.000 1.226 1044 N CA 0.420 53.447 53.050 -0.037 0.000 0.906 1044 N CB 0.742 39.225 38.487 -0.006 0.000 1.060 1044 N HN 0.003 nan 8.380 nan 0.000 0.468 1045 T N -1.385 113.141 114.554 -0.047 0.000 3.085 1045 T HA 0.046 4.396 4.350 0.000 0.000 0.264 1045 T C 1.402 176.079 174.700 -0.038 0.000 1.019 1045 T CA 0.374 62.441 62.100 -0.054 0.000 0.910 1045 T CB -0.277 68.552 68.868 -0.064 0.000 1.059 1045 T HN 0.583 nan 8.240 nan 0.000 0.542 1046 T N -0.209 114.331 114.554 -0.023 0.000 2.983 1046 T HA 0.281 4.631 4.350 0.000 0.000 0.250 1046 T C 0.985 175.681 174.700 -0.007 0.000 1.037 1046 T CA -0.236 61.856 62.100 -0.014 0.000 1.142 1046 T CB -0.120 68.746 68.868 -0.004 0.000 0.876 1046 T HN 0.255 nan 8.240 nan 0.000 0.455 1047 R N 2.774 123.274 120.500 0.000 0.000 2.349 1047 R HA 0.471 4.812 4.340 0.000 0.000 0.299 1047 R C 0.394 176.694 176.300 0.000 0.000 1.027 1047 R CA -0.296 55.808 56.100 0.007 0.000 0.958 1047 R CB 1.248 31.562 30.300 0.023 0.000 1.047 1047 R HN 0.540 nan 8.270 nan 0.000 0.468 1048 T N 0.039 114.594 114.554 0.001 0.000 2.766 1048 T HA 0.135 4.485 4.350 0.000 0.000 0.295 1048 T C -1.757 172.948 174.700 0.009 0.000 1.024 1048 T CA -1.546 60.554 62.100 -0.001 0.000 1.018 1048 T CB 0.953 69.822 68.868 0.001 0.000 1.002 1048 T HN 0.246 nan 8.240 nan 0.000 0.532 1049 P HA -0.076 nan 4.420 nan 0.000 0.215 1049 P C 1.293 178.609 177.300 0.027 0.000 1.153 1049 P CA 1.068 64.183 63.100 0.025 0.000 0.853 1049 P CB 0.028 31.747 31.700 0.031 0.000 0.788 1050 E N -0.964 119.248 120.200 0.020 0.000 2.051 1050 E HA -0.159 4.191 4.350 0.000 0.000 0.192 1050 E C 2.043 178.653 176.600 0.016 0.000 0.991 1050 E CA 1.430 57.840 56.400 0.017 0.000 0.799 1050 E CB -1.046 28.661 29.700 0.011 0.000 0.748 1050 E HN 0.252 nan 8.360 nan 0.000 0.449 1051 M N -0.065 119.543 119.600 0.013 0.000 2.080 1051 M HA -0.178 4.303 4.480 0.000 0.000 0.260 1051 M C 2.207 178.519 176.300 0.020 0.000 1.068 1051 M CA 1.168 56.475 55.300 0.012 0.000 1.109 1051 M CB -0.368 32.238 32.600 0.011 0.000 1.342 1051 M HN 0.007 nan 8.290 nan 0.000 0.405 1052 V N 0.290 120.223 119.914 0.032 0.000 2.295 1052 V HA -0.310 3.810 4.120 0.000 0.000 0.246 1052 V C 2.386 178.511 176.094 0.051 0.000 1.049 1052 V CA 2.220 64.549 62.300 0.050 0.000 1.024 1052 V CB -0.958 30.902 31.823 0.061 0.000 0.648 1052 V HN 0.570 nan 8.190 nan 0.000 0.447 1053 Q N 0.036 119.863 119.800 0.045 0.000 2.061 1053 Q HA -0.307 4.034 4.340 0.000 0.000 0.204 1053 Q C 2.346 178.365 176.000 0.031 0.000 0.984 1053 Q CA 2.402 58.233 55.803 0.047 0.000 0.846 1053 Q CB -0.178 28.584 28.738 0.039 0.000 0.902 1053 Q HN 0.776 nan 8.270 nan 0.000 0.421 1054 E N 0.042 120.251 120.200 0.015 0.000 2.077 1054 E HA -0.233 4.118 4.350 0.000 0.000 0.193 1054 E C 2.123 178.708 176.600 -0.025 0.000 0.989 1054 E CA 1.314 57.711 56.400 -0.005 0.000 0.800 1054 E CB -0.211 29.483 29.700 -0.010 0.000 0.746 1054 E HN 0.476 nan 8.360 nan 0.000 0.452 1055 M N 0.520 120.108 119.600 -0.020 0.000 2.080 1055 M HA -0.212 4.268 4.480 0.000 0.000 0.260 1055 M C 2.048 178.316 176.300 -0.055 0.000 1.068 1055 M CA 1.500 56.766 55.300 -0.056 0.000 1.109 1055 M CB -0.111 32.484 32.600 -0.008 0.000 1.342 1055 M HN 0.220 nan 8.290 nan 0.000 0.405 1056 L N 0.164 121.418 121.223 0.052 0.000 2.042 1056 L HA -0.192 4.148 4.340 0.000 0.000 0.210 1056 L C 2.788 179.704 176.870 0.076 0.000 1.076 1056 L CA 1.440 56.366 54.840 0.144 0.000 0.749 1056 L CB -1.009 41.125 42.059 0.124 0.000 0.893 1056 L HN 0.443 nan 8.230 nan 0.000 0.432 1057 A N -0.811 122.021 122.820 0.021 0.000 1.897 1057 A HA -0.144 4.176 4.320 0.000 0.000 0.215 1057 A C 2.345 179.898 177.584 -0.052 0.000 1.181 1057 A CA 2.044 54.082 52.037 0.001 0.000 0.620 1057 A CB -0.764 18.239 19.000 0.004 0.000 0.821 1057 A HN 0.347 nan 8.150 nan 0.000 0.443 1058 T N -0.094 114.404 114.554 -0.093 0.000 2.812 1058 T HA -0.040 4.311 4.350 0.000 0.000 0.264 1058 T C 1.944 176.500 174.700 -0.240 0.000 1.042 1058 T CA 1.796 63.815 62.100 -0.135 0.000 1.140 1058 T CB -0.120 68.674 68.868 -0.124 0.000 0.870 1058 T HN 0.457 nan 8.240 nan 0.000 0.445 1059 S N 0.028 115.467 115.700 -0.435 0.000 2.511 1059 S HA 0.281 4.751 4.470 0.000 0.000 0.214 1059 S C 0.394 174.379 174.600 -1.026 0.000 0.997 1059 S CA -0.116 57.593 58.200 -0.818 0.000 0.908 1059 S CB 0.169 62.632 63.200 -1.230 0.000 0.803 1059 S HN 0.425 nan 8.310 nan 0.000 0.504 1060 F N 1.303 121.203 119.950 -0.083 0.000 2.837 1060 F HA 0.431 4.958 4.527 0.000 0.000 0.328 1060 F C 0.494 176.279 175.800 -0.024 0.000 1.173 1060 F CA -1.072 56.893 58.000 -0.059 0.000 1.160 1060 F CB -0.592 38.347 39.000 -0.103 0.000 1.115 1060 F HN -0.078 nan 8.300 nan 0.000 0.512 1061 N N 1.417 120.161 118.700 0.073 0.000 2.693 1061 N HA -0.219 4.521 4.740 0.000 0.000 0.249 1061 N C -0.370 175.184 175.510 0.074 0.000 1.119 1061 N CA 0.820 53.905 53.050 0.058 0.000 0.717 1061 N CB -1.093 37.428 38.487 0.057 0.000 1.071 1061 N HN 0.359 nan 8.380 nan 0.000 0.555 1062 I N 1.049 121.678 120.570 0.099 0.000 2.330 1062 I HA 0.177 4.347 4.170 0.000 0.000 0.289 1062 I C 0.145 176.309 176.117 0.078 0.000 1.001 1062 I CA -0.384 60.972 61.300 0.093 0.000 1.193 1062 I CB 1.213 39.286 38.000 0.122 0.000 1.345 1062 I HN -0.242 nan 8.210 nan 0.000 0.461 1063 K N 4.813 125.252 120.400 0.065 0.000 2.367 1063 K HA 0.501 4.821 4.320 0.000 0.000 0.263 1063 K C -0.536 176.116 176.600 0.086 0.000 1.000 1063 K CA -0.439 55.885 56.287 0.061 0.000 0.891 1063 K CB 2.158 34.682 32.500 0.040 0.000 1.117 1063 K HN 0.456 nan 8.250 nan 0.000 0.443 1064 T N 2.790 117.405 114.554 0.103 0.000 2.900 1064 T HA 0.439 4.789 4.350 0.000 0.000 0.295 1064 T C -2.695 172.055 174.700 0.084 0.000 1.044 1064 T CA -2.253 59.932 62.100 0.142 0.000 0.995 1064 T CB 1.370 70.377 68.868 0.231 0.000 1.072 1064 T HN 0.155 nan 8.240 nan 0.000 0.473 1065 P HA 0.106 nan 4.420 nan 0.000 0.268 1065 P C 0.744 178.051 177.300 0.012 0.000 1.208 1065 P CA -0.366 62.743 63.100 0.016 0.000 0.777 1065 P CB 0.451 32.142 31.700 -0.015 0.000 0.875 1066 L N 2.959 124.189 121.223 0.013 0.000 2.131 1066 L HA -0.192 4.148 4.340 0.000 0.000 0.210 1066 L C 1.501 178.380 176.870 0.015 0.000 1.092 1066 L CA 2.006 56.858 54.840 0.020 0.000 0.759 1066 L CB -0.958 41.112 42.059 0.018 0.000 0.903 1066 L HN 0.307 nan 8.230 nan 0.000 0.435 1067 E N -1.281 118.913 120.200 -0.008 0.000 2.478 1067 E HA -0.106 4.244 4.350 0.000 0.000 0.198 1067 E C 1.849 178.418 176.600 -0.052 0.000 1.046 1067 E CA 1.057 57.444 56.400 -0.021 0.000 0.870 1067 E CB -0.566 29.108 29.700 -0.042 0.000 0.818 1067 E HN 0.656 nan 8.360 nan 0.000 0.527 1068 T N -1.911 112.598 114.554 -0.075 0.000 3.129 1068 T HA 0.171 4.521 4.350 0.000 0.000 0.251 1068 T C 0.699 175.399 174.700 -0.000 0.000 1.117 1068 T CA -0.102 61.914 62.100 -0.140 0.000 1.034 1068 T CB -0.127 68.561 68.868 -0.299 0.000 0.968 1068 T HN -0.005 nan 8.240 nan 0.000 0.526 1069 I N 1.944 122.548 120.570 0.058 0.000 2.307 1069 I HA 0.361 4.531 4.170 0.000 0.000 0.289 1069 I C -1.115 175.106 176.117 0.174 0.000 1.021 1069 I CA -1.132 60.233 61.300 0.108 0.000 1.224 1069 I CB 0.708 38.759 38.000 0.084 0.000 1.376 1069 I HN 0.093 nan 8.210 nan 0.000 0.470 1070 Y N 6.688 126.993 120.300 0.008 0.000 2.338 1070 Y HA 0.399 4.950 4.550 0.000 0.000 0.328 1070 Y C 0.399 176.300 175.900 0.000 0.000 0.965 1070 Y CA -0.949 57.151 58.100 -0.000 0.000 1.208 1070 Y CB 1.363 39.819 38.460 -0.006 0.000 1.132 1070 Y HN 0.640 nan 8.280 nan 0.000 0.469 1071 T N 0.689 115.050 114.554 -0.322 0.000 2.937 1071 T HA 0.649 4.999 4.350 0.000 0.000 0.283 1071 T C 1.141 175.598 174.700 -0.406 0.000 1.012 1071 T CA -0.236 61.704 62.100 -0.266 0.000 0.997 1071 T CB 1.609 70.386 68.868 -0.151 0.000 1.136 1071 T HN 0.622 nan 8.240 nan 0.000 0.551 1072 A N 0.594 123.265 122.820 -0.249 0.000 2.015 1072 A HA 0.054 4.374 4.320 0.000 0.000 0.219 1072 A C 2.332 179.782 177.584 -0.224 0.000 1.163 1072 A CA 1.909 53.808 52.037 -0.230 0.000 0.646 1072 A CB -1.662 17.244 19.000 -0.156 0.000 0.806 1072 A HN 0.914 nan 8.150 nan 0.000 0.448 1073 T N 0.588 115.026 114.554 -0.193 0.000 2.708 1073 T HA -0.080 4.270 4.350 0.000 0.000 0.266 1073 T C 1.813 176.411 174.700 -0.171 0.000 1.037 1073 T CA 1.441 63.450 62.100 -0.152 0.000 1.146 1073 T CB -0.364 68.439 68.868 -0.108 0.000 0.865 1073 T HN 0.392 nan 8.240 nan 0.000 0.435 1074 L N 0.807 121.884 121.223 -0.244 0.000 2.017 1074 L HA -0.090 4.250 4.340 0.000 0.000 0.208 1074 L C 3.120 179.857 176.870 -0.221 0.000 1.073 1074 L CA 1.309 56.016 54.840 -0.222 0.000 0.745 1074 L CB -0.817 41.072 42.059 -0.284 0.000 0.894 1074 L HN 0.250 nan 8.230 nan 0.000 0.432 1075 A N -0.234 122.320 122.820 -0.443 0.000 1.908 1075 A HA -0.212 4.109 4.320 0.000 0.000 0.218 1075 A C 2.368 179.923 177.584 -0.049 0.000 1.181 1075 A CA 2.425 54.353 52.037 -0.182 0.000 0.627 1075 A CB -0.944 17.917 19.000 -0.232 0.000 0.818 1075 A HN 0.394 nan 8.150 nan 0.000 0.445 1076 T N 0.284 114.772 114.554 -0.111 0.000 2.708 1076 T HA -0.099 4.251 4.350 0.000 0.000 0.266 1076 T C 1.794 176.458 174.700 -0.060 0.000 1.037 1076 T CA 1.559 63.609 62.100 -0.083 0.000 1.146 1076 T CB -0.400 68.390 68.868 -0.130 0.000 0.865 1076 T HN 0.433 nan 8.240 nan 0.000 0.435 1077 I N 1.154 121.681 120.570 -0.071 0.000 2.252 1077 I HA -0.161 4.009 4.170 0.000 0.000 0.245 1077 I C 2.320 178.446 176.117 0.014 0.000 1.102 1077 I CA 1.111 62.380 61.300 -0.053 0.000 1.385 1077 I CB -0.363 37.636 38.000 -0.002 0.000 1.064 1077 I HN 0.142 nan 8.210 nan 0.000 0.414 1078 D N 0.213 120.650 120.400 0.061 0.000 2.123 1078 D HA -0.248 4.392 4.640 0.000 0.000 0.196 1078 D C 1.930 178.287 176.300 0.095 0.000 0.992 1078 D CA 1.468 55.528 54.000 0.100 0.000 0.833 1078 D CB -0.401 40.497 40.800 0.163 0.000 0.954 1078 D HN 0.352 nan 8.370 nan 0.000 0.455 1079 Y N 1.015 121.299 120.300 -0.026 0.000 2.145 1079 Y HA -0.189 4.361 4.550 0.000 0.000 0.286 1079 Y C 2.439 178.299 175.900 -0.067 0.000 1.145 1079 Y CA 1.498 59.578 58.100 -0.034 0.000 1.148 1079 Y CB -0.301 38.126 38.460 -0.054 0.000 0.981 1079 Y HN -0.128 nan 8.280 nan 0.000 0.507 1080 M N 0.058 119.569 119.600 -0.149 0.000 2.080 1080 M HA -0.287 4.193 4.480 0.000 0.000 0.260 1080 M C 1.825 178.038 176.300 -0.145 0.000 1.068 1080 M CA 1.883 56.898 55.300 -0.475 0.000 1.109 1080 M CB -0.461 31.591 32.600 -0.913 0.000 1.342 1080 M HN 0.271 nan 8.290 nan 0.000 0.405 1081 N N 0.556 119.263 118.700 0.013 0.000 2.166 1081 N HA -0.147 4.594 4.740 0.000 0.000 0.186 1081 N C 1.211 176.741 175.510 0.033 0.000 1.019 1081 N CA 1.348 54.459 53.050 0.102 0.000 0.856 1081 N CB -0.549 37.993 38.487 0.092 0.000 0.993 1081 N HN 0.342 nan 8.380 nan 0.000 0.426 1082 D N 0.545 120.923 120.400 -0.037 0.000 2.097 1082 D HA -0.062 4.578 4.640 0.000 0.000 0.197 1082 D C 1.911 178.155 176.300 -0.093 0.000 0.984 1082 D CA 0.756 54.717 54.000 -0.064 0.000 0.826 1082 D CB -0.123 40.625 40.800 -0.086 0.000 0.973 1082 D HN 0.162 nan 8.370 nan 0.000 0.460 1083 M N 0.733 120.222 119.600 -0.185 0.000 2.374 1083 M HA -0.080 4.400 4.480 0.000 0.000 0.264 1083 M C 0.270 176.586 176.300 0.027 0.000 1.067 1083 M CA 0.580 55.804 55.300 -0.127 0.000 1.103 1083 M CB -0.905 31.575 32.600 -0.200 0.000 1.402 1083 M HN 0.168 nan 8.290 nan 0.000 0.444 1084 K N 1.174 121.637 120.400 0.106 0.000 4.040 1084 K HA -0.215 4.106 4.320 0.000 0.000 0.279 1084 K C -0.795 175.880 176.600 0.124 0.000 0.890 1084 K CA 0.754 57.125 56.287 0.140 0.000 0.782 1084 K CB -1.346 31.192 32.500 0.063 0.000 1.613 1084 K HN 0.208 nan 8.250 nan 0.000 0.440 1085 R N 0.610 121.224 120.500 0.190 0.000 2.893 1085 R HA 0.570 4.910 4.340 0.000 0.000 0.245 1085 R C 0.586 176.945 176.300 0.099 0.000 1.192 1085 R CA 0.031 56.129 56.100 -0.004 0.000 1.077 1085 R CB 0.619 30.736 30.300 -0.305 0.000 1.253 1085 R HN 0.501 nan 8.270 nan 0.000 0.505 1086 G N 0.749 109.556 108.800 0.012 0.000 2.752 1086 G HA2 -0.174 3.786 3.960 0.000 0.000 0.226 1086 G HA3 -0.174 3.786 3.960 0.000 0.000 0.226 1086 G C -0.589 174.475 174.900 0.274 0.000 1.185 1086 G CA 0.051 45.206 45.100 0.091 0.000 0.854 1086 G HN 0.376 nan 8.290 nan 0.000 0.540 1087 K N 0.707 121.212 120.400 0.175 0.000 3.041 1087 K HA 0.269 4.589 4.320 0.000 0.000 0.243 1087 K C 0.690 177.437 176.600 0.246 0.000 1.167 1087 K CA 0.163 56.520 56.287 0.117 0.000 1.235 1087 K CB 0.217 32.638 32.500 -0.132 0.000 1.205 1087 K HN 0.666 nan 8.250 nan 0.000 0.448 1088 T N -2.944 111.852 114.554 0.402 0.000 2.906 1088 T HA 0.865 5.215 4.350 0.000 0.000 0.295 1088 T C -0.760 174.162 174.700 0.370 0.000 1.061 1088 T CA -1.128 61.161 62.100 0.315 0.000 1.000 1088 T CB 2.254 71.226 68.868 0.174 0.000 1.103 1088 T HN 0.029 nan 8.240 nan 0.000 0.486 1089 A N 1.303 124.288 122.820 0.275 0.000 2.589 1089 A HA 0.663 4.983 4.320 0.000 0.000 0.296 1089 A C -2.120 175.578 177.584 0.189 0.000 1.062 1089 A CA -0.935 51.235 52.037 0.221 0.000 0.686 1089 A CB 1.316 20.385 19.000 0.114 0.000 1.282 1089 A HN 1.056 nan 8.150 nan 0.000 0.404 1090 Y N 1.707 122.044 120.300 0.062 0.000 2.335 1090 Y HA 0.623 5.174 4.550 0.000 0.000 0.338 1090 Y C -0.952 174.961 175.900 0.021 0.000 0.977 1090 Y CA -0.821 57.296 58.100 0.029 0.000 1.114 1090 Y CB 1.610 40.072 38.460 0.005 0.000 1.182 1090 Y HN 0.551 nan 8.280 nan 0.000 0.463 1091 V N 8.022 127.524 119.914 -0.688 0.000 2.540 1091 V HA 0.439 4.559 4.120 0.000 0.000 0.302 1091 V C -0.330 175.419 176.094 -0.575 0.000 1.035 1091 V CA -0.951 61.069 62.300 -0.468 0.000 0.873 1091 V CB 1.795 33.473 31.823 -0.243 0.000 0.992 1091 V HN 0.678 nan 8.190 nan 0.000 0.428 1092 I N 3.889 124.268 120.570 -0.319 0.000 2.362 1092 I HA 0.819 4.990 4.170 0.000 0.000 0.289 1092 I C 0.615 176.666 176.117 -0.111 0.000 0.994 1092 I CA 0.182 61.365 61.300 -0.194 0.000 1.158 1092 I CB 1.537 39.493 38.000 -0.073 0.000 1.315 1092 I HN 0.881 nan 8.210 nan 0.000 0.451 1093 G N 5.237 113.982 108.800 -0.092 0.000 2.317 1093 G HA2 0.145 4.105 3.960 0.000 0.000 0.293 1093 G HA3 0.145 4.105 3.960 0.000 0.000 0.293 1093 G C -1.406 173.463 174.900 -0.050 0.000 1.287 1093 G CA -0.728 44.335 45.100 -0.062 0.000 0.850 1093 G HN 0.329 nan 8.290 nan 0.000 0.515 1094 E N -0.190 119.987 120.200 -0.038 0.000 2.392 1094 E HA 0.284 4.634 4.350 0.000 0.000 0.256 1094 E C 1.510 178.091 176.600 -0.032 0.000 1.145 1094 E CA 0.250 56.633 56.400 -0.028 0.000 0.929 1094 E CB 1.161 30.849 29.700 -0.020 0.000 0.998 1094 E HN 0.556 nan 8.360 nan 0.000 0.442 1095 T N 1.027 115.568 114.554 -0.022 0.000 2.737 1095 T HA -0.166 4.184 4.350 0.000 0.000 0.269 1095 T C 1.694 176.381 174.700 -0.021 0.000 1.040 1095 T CA 2.104 64.192 62.100 -0.020 0.000 1.142 1095 T CB -0.347 68.515 68.868 -0.011 0.000 0.861 1095 T HN 0.578 nan 8.240 nan 0.000 0.456 1096 G N 1.238 110.026 108.800 -0.019 0.000 2.446 1096 G HA2 -0.162 3.799 3.960 0.000 0.000 0.217 1096 G HA3 -0.162 3.799 3.960 0.000 0.000 0.217 1096 G C 1.504 176.388 174.900 -0.027 0.000 1.168 1096 G CA 1.172 46.261 45.100 -0.019 0.000 0.771 1096 G HN 0.542 nan 8.290 nan 0.000 0.551 1097 L N 0.530 121.731 121.223 -0.038 0.000 2.056 1097 L HA 0.108 4.448 4.340 0.000 0.000 0.207 1097 L C 2.679 179.518 176.870 -0.052 0.000 1.078 1097 L CA 2.013 56.823 54.840 -0.050 0.000 0.749 1097 L CB -0.530 41.492 42.059 -0.062 0.000 0.901 1097 L HN 0.134 nan 8.230 nan 0.000 0.433 1098 K N -0.419 119.948 120.400 -0.055 0.000 2.097 1098 K HA -0.230 4.090 4.320 0.000 0.000 0.206 1098 K C 2.199 178.783 176.600 -0.027 0.000 1.049 1098 K CA 1.694 57.947 56.287 -0.057 0.000 0.933 1098 K CB -0.174 32.286 32.500 -0.066 0.000 0.717 1098 K HN 0.339 nan 8.250 nan 0.000 0.442 1099 K N 0.920 121.309 120.400 -0.018 0.000 2.001 1099 K HA -0.110 4.210 4.320 0.000 0.000 0.208 1099 K C 2.162 178.764 176.600 0.003 0.000 1.048 1099 K CA 1.220 57.504 56.287 -0.004 0.000 0.932 1099 K CB -0.128 32.369 32.500 -0.005 0.000 0.715 1099 K HN 0.092 nan 8.250 nan 0.000 0.437 1100 A N 0.784 123.601 122.820 -0.005 0.000 1.940 1100 A HA -0.134 4.186 4.320 0.000 0.000 0.219 1100 A C 2.232 179.830 177.584 0.022 0.000 1.176 1100 A CA 1.808 53.846 52.037 0.002 0.000 0.631 1100 A CB -0.674 18.318 19.000 -0.015 0.000 0.814 1100 A HN 0.207 nan 8.150 nan 0.000 0.446 1101 V N -0.441 119.482 119.914 0.015 0.000 2.358 1101 V HA -0.191 3.929 4.120 0.000 0.000 0.246 1101 V C 3.035 179.212 176.094 0.138 0.000 1.047 1101 V CA 1.816 64.150 62.300 0.055 0.000 1.035 1101 V CB -1.136 30.676 31.823 -0.019 0.000 0.658 1101 V HN 0.622 nan 8.190 nan 0.000 0.452 1102 A N -0.311 122.558 122.820 0.080 0.000 1.902 1102 A HA -0.230 4.090 4.320 0.000 0.000 0.217 1102 A C 2.131 179.748 177.584 0.056 0.000 1.181 1102 A CA 1.781 53.866 52.037 0.079 0.000 0.623 1102 A CB -0.462 18.564 19.000 0.044 0.000 0.818 1102 A HN 0.612 nan 8.150 nan 0.000 0.443 1103 E N -0.367 119.857 120.200 0.040 0.000 2.338 1103 E HA 0.006 4.356 4.350 0.000 0.000 0.197 1103 E C 1.778 178.392 176.600 0.022 0.000 1.007 1103 E CA 0.573 56.986 56.400 0.023 0.000 0.849 1103 E CB -0.174 29.536 29.700 0.016 0.000 0.774 1103 E HN 0.610 nan 8.360 nan 0.000 0.506 1104 A N 0.176 123.032 122.820 0.059 0.000 2.238 1104 A HA 0.257 4.577 4.320 0.000 0.000 0.208 1104 A C 1.604 179.161 177.584 -0.044 0.000 1.177 1104 A CA 0.790 52.867 52.037 0.066 0.000 0.804 1104 A CB -0.133 18.968 19.000 0.168 0.000 0.823 1104 A HN 0.319 nan 8.150 nan 0.000 0.482 1105 G N -2.500 106.249 108.800 -0.084 0.000 2.168 1105 G HA2 -0.223 3.737 3.960 0.000 0.000 0.197 1105 G HA3 -0.223 3.737 3.960 0.000 0.000 0.197 1105 G C -0.208 174.468 174.900 -0.372 0.000 0.997 1105 G CA -0.009 44.941 45.100 -0.250 0.000 0.658 1105 G HN 0.413 nan 8.290 nan 0.000 0.513 1106 Y N 1.881 122.190 120.300 0.014 0.000 2.491 1106 Y HA 0.545 5.095 4.550 0.000 0.000 0.334 1106 Y C 1.032 176.953 175.900 0.035 0.000 0.969 1106 Y CA -0.869 57.252 58.100 0.036 0.000 1.241 1106 Y CB 0.621 39.099 38.460 0.031 0.000 1.105 1106 Y HN 0.432 nan 8.280 nan 0.000 0.503 1107 R N 1.086 121.665 120.500 0.132 0.000 2.594 1107 R HA 0.242 4.583 4.340 0.000 0.000 0.272 1107 R C -0.599 175.776 176.300 0.126 0.000 1.074 1107 R CA -0.739 55.421 56.100 0.099 0.000 1.105 1107 R CB 0.751 31.088 30.300 0.061 0.000 1.008 1107 R HN 0.343 nan 8.270 nan 0.000 0.472 1108 E N 1.851 122.113 120.200 0.103 0.000 2.366 1108 E HA -0.008 4.342 4.350 0.000 0.000 0.266 1108 E C -0.846 175.835 176.600 0.135 0.000 1.015 1108 E CA 0.365 56.838 56.400 0.123 0.000 0.906 1108 E CB 0.712 30.472 29.700 0.101 0.000 0.979 1108 E HN 0.539 nan 8.360 nan 0.000 0.443 1109 D N 1.404 121.907 120.400 0.172 0.000 2.476 1109 D HA 0.057 4.697 4.640 0.000 0.000 0.251 1109 D C 0.190 176.572 176.300 0.137 0.000 1.291 1109 D CA -0.508 53.567 54.000 0.125 0.000 0.939 1109 D CB 0.784 41.643 40.800 0.099 0.000 1.221 1109 D HN 0.189 nan 8.370 nan 0.000 0.567 1110 S N 2.416 118.153 115.700 0.063 0.000 2.593 1110 S HA 0.073 4.543 4.470 0.000 0.000 0.217 1110 S C 0.951 175.437 174.600 -0.191 0.000 0.966 1110 S CA -0.014 58.089 58.200 -0.162 0.000 0.914 1110 S CB 0.454 63.510 63.200 -0.241 0.000 0.776 1110 S HN 0.375 nan 8.310 nan 0.000 0.523 1111 E N 2.482 122.635 120.200 -0.079 0.000 2.134 1111 E HA 0.173 4.523 4.350 0.000 0.000 0.194 1111 E C -0.096 176.471 176.600 -0.055 0.000 0.937 1111 E CA 0.658 57.014 56.400 -0.073 0.000 0.874 1111 E CB -0.331 29.343 29.700 -0.042 0.000 0.853 1111 E HN 0.558 nan 8.360 nan 0.000 0.471 1112 N N 1.467 120.153 118.700 -0.022 0.000 2.642 1112 N HA 0.169 4.910 4.740 0.000 0.000 0.308 1112 N C -2.664 172.852 175.510 0.009 0.000 1.914 1112 N CA -0.754 52.287 53.050 -0.015 0.000 0.893 1112 N CB 1.325 39.803 38.487 -0.014 0.000 1.322 1112 N HN 0.042 nan 8.380 nan 0.000 0.490 1113 P HA 0.053 nan 4.420 nan 0.000 0.269 1113 P C 0.323 177.642 177.300 0.031 0.000 1.215 1113 P CA -0.091 63.056 63.100 0.078 0.000 0.780 1113 P CB 1.437 33.224 31.700 0.144 0.000 0.898 1114 A N 1.963 124.797 122.820 0.023 0.000 2.016 1114 A HA 0.022 4.342 4.320 0.000 0.000 0.217 1114 A C 0.331 177.724 177.584 -0.319 0.000 1.162 1114 A CA 1.142 53.079 52.037 -0.166 0.000 0.662 1114 A CB -0.640 18.236 19.000 -0.207 0.000 0.812 1114 A HN 0.601 nan 8.150 nan 0.000 0.450 1115 Y N -2.488 117.842 120.300 0.049 0.000 2.512 1115 Y HA 0.566 5.116 4.550 0.000 0.000 0.348 1115 Y C -0.521 175.411 175.900 0.053 0.000 0.990 1115 Y CA -1.035 57.083 58.100 0.030 0.000 1.033 1115 Y CB 2.154 40.578 38.460 -0.061 0.000 1.259 1115 Y HN -0.203 nan 8.280 nan 0.000 0.461 1116 V N 3.793 123.859 119.914 0.252 0.000 2.409 1116 V HA 0.462 4.582 4.120 0.000 0.000 0.290 1116 V C -0.960 175.260 176.094 0.209 0.000 1.017 1116 V CA -0.766 61.650 62.300 0.193 0.000 0.841 1116 V CB 1.488 33.372 31.823 0.102 0.000 1.003 1116 V HN 0.551 nan 8.190 nan 0.000 0.426 1117 V N 6.031 126.005 119.914 0.100 0.000 2.459 1117 V HA 0.617 4.737 4.120 0.000 0.000 0.295 1117 V C -0.329 175.781 176.094 0.026 0.000 1.029 1117 V CA -0.568 61.762 62.300 0.050 0.000 0.874 1117 V CB 2.009 33.798 31.823 -0.058 0.000 0.985 1117 V HN 0.560 nan 8.190 nan 0.000 0.438 1118 V N 3.733 123.686 119.914 0.065 0.000 2.577 1118 V HA 0.908 5.029 4.120 0.000 0.000 0.303 1118 V C 0.443 176.535 176.094 -0.004 0.000 1.042 1118 V CA -0.058 62.270 62.300 0.047 0.000 0.872 1118 V CB 1.567 33.486 31.823 0.160 0.000 0.998 1118 V HN 1.007 nan 8.190 nan 0.000 0.423 1119 G N 2.525 111.309 108.800 -0.028 0.000 3.105 1119 G HA2 0.651 4.612 3.960 0.000 0.000 0.277 1119 G HA3 0.651 4.612 3.960 0.000 0.000 0.277 1119 G C -1.064 173.821 174.900 -0.026 0.000 1.375 1119 G CA -1.011 44.065 45.100 -0.040 0.000 0.962 1119 G HN 0.656 nan 8.290 nan 0.000 0.541 1120 L N 0.610 121.817 121.223 -0.027 0.000 2.490 1120 L HA 0.283 4.623 4.340 0.000 0.000 0.274 1120 L C -0.883 175.978 176.870 -0.015 0.000 1.201 1120 L CA 0.133 54.964 54.840 -0.015 0.000 0.869 1120 L CB 0.942 42.992 42.059 -0.017 0.000 1.123 1120 L HN 0.477 nan 8.230 nan 0.000 0.484 1121 D N 2.239 122.636 120.400 -0.005 0.000 2.402 1121 D HA 0.102 4.742 4.640 0.000 0.000 0.252 1121 D C 0.788 177.092 176.300 0.006 0.000 1.294 1121 D CA -0.326 53.671 54.000 -0.005 0.000 0.948 1121 D CB 1.460 42.255 40.800 -0.008 0.000 1.202 1121 D HN 0.591 nan 8.370 nan 0.000 0.561 1122 T N 0.527 115.084 114.554 0.006 0.000 3.163 1122 T HA 0.001 4.351 4.350 0.000 0.000 0.260 1122 T C 0.664 175.374 174.700 0.016 0.000 1.156 1122 T CA 0.389 62.496 62.100 0.012 0.000 1.072 1122 T CB -0.334 68.540 68.868 0.010 0.000 0.937 1122 T HN 0.263 nan 8.240 nan 0.000 0.528 1123 N N 0.318 119.027 118.700 0.015 0.000 2.338 1123 N HA 0.361 5.101 4.740 0.000 0.000 0.251 1123 N C -0.383 175.144 175.510 0.028 0.000 1.199 1123 N CA -0.313 52.749 53.050 0.021 0.000 0.879 1123 N CB 0.360 38.857 38.487 0.017 0.000 1.159 1123 N HN 0.331 nan 8.380 nan 0.000 0.514 1124 L N 1.701 122.942 121.223 0.030 0.000 2.543 1124 L HA 0.063 4.403 4.340 0.000 0.000 0.285 1124 L C 0.388 177.291 176.870 0.054 0.000 1.236 1124 L CA 0.903 55.767 54.840 0.039 0.000 0.871 1124 L CB 0.308 42.391 42.059 0.039 0.000 1.121 1124 L HN 0.318 nan 8.230 nan 0.000 0.501 1125 T N 0.229 114.822 114.554 0.064 0.000 2.883 1125 T HA 0.176 4.526 4.350 0.000 0.000 0.296 1125 T C 0.533 175.299 174.700 0.109 0.000 1.117 1125 T CA -0.689 61.465 62.100 0.092 0.000 1.006 1125 T CB 1.009 69.928 68.868 0.087 0.000 1.191 1125 T HN 0.496 nan 8.240 nan 0.000 0.508 1126 Y N 1.007 121.322 120.300 0.023 0.000 2.181 1126 Y HA -0.080 4.470 4.550 0.000 0.000 0.288 1126 Y C 2.481 178.390 175.900 0.015 0.000 1.146 1126 Y CA 2.429 60.540 58.100 0.018 0.000 1.164 1126 Y CB -0.140 38.327 38.460 0.011 0.000 0.982 1126 Y HN 0.896 nan 8.280 nan 0.000 0.515 1127 E N 0.656 120.919 120.200 0.106 0.000 2.085 1127 E HA -0.222 4.128 4.350 0.000 0.000 0.194 1127 E C 1.977 178.553 176.600 -0.041 0.000 0.994 1127 E CA 2.026 58.441 56.400 0.025 0.000 0.801 1127 E CB -0.206 29.533 29.700 0.066 0.000 0.743 1127 E HN 0.475 nan 8.360 nan 0.000 0.453 1128 K N -0.561 119.852 120.400 0.021 0.000 2.097 1128 K HA -0.110 4.210 4.320 0.000 0.000 0.206 1128 K C 1.954 178.573 176.600 0.030 0.000 1.049 1128 K CA 1.072 57.418 56.287 0.097 0.000 0.933 1128 K CB -0.143 32.436 32.500 0.132 0.000 0.717 1128 K HN 0.117 nan 8.250 nan 0.000 0.442 1129 L N 0.980 122.153 121.223 -0.082 0.000 2.056 1129 L HA -0.142 4.198 4.340 0.000 0.000 0.207 1129 L C 2.203 178.925 176.870 -0.247 0.000 1.078 1129 L CA 1.838 56.586 54.840 -0.153 0.000 0.749 1129 L CB -1.120 40.809 42.059 -0.216 0.000 0.901 1129 L HN 0.176 nan 8.230 nan 0.000 0.433 1130 T N -0.500 113.838 114.554 -0.360 0.000 2.708 1130 T HA -0.152 4.198 4.350 0.000 0.000 0.266 1130 T C 1.905 176.461 174.700 -0.240 0.000 1.037 1130 T CA 0.886 62.787 62.100 -0.332 0.000 1.146 1130 T CB -0.202 68.472 68.868 -0.322 0.000 0.865 1130 T HN 0.023 nan 8.240 nan 0.000 0.435 1131 L N 1.298 122.370 121.223 -0.251 0.000 2.012 1131 L HA -0.013 4.327 4.340 0.000 0.000 0.210 1131 L C 2.812 179.449 176.870 -0.388 0.000 1.073 1131 L CA 1.815 56.420 54.840 -0.392 0.000 0.748 1131 L CB -1.559 40.114 42.059 -0.643 0.000 0.891 1131 L HN 0.261 nan 8.230 nan 0.000 0.431 1132 A N -1.749 120.938 122.820 -0.222 0.000 1.877 1132 A HA -0.213 4.108 4.320 0.000 0.000 0.216 1132 A C 2.327 179.789 177.584 -0.203 0.000 1.186 1132 A CA 2.283 54.260 52.037 -0.101 0.000 0.620 1132 A CB -1.005 17.998 19.000 0.005 0.000 0.822 1132 A HN 0.446 nan 8.150 nan 0.000 0.443 1133 T N 0.342 114.770 114.554 -0.210 0.000 2.652 1133 T HA -0.137 4.213 4.350 0.000 0.000 0.267 1133 T C 1.762 176.361 174.700 -0.168 0.000 1.039 1133 T CA 1.625 63.603 62.100 -0.202 0.000 1.153 1133 T CB -0.345 68.418 68.868 -0.174 0.000 0.863 1133 T HN 0.195 nan 8.240 nan 0.000 0.428 1134 L N 1.130 122.257 121.223 -0.160 0.000 2.046 1134 L HA 0.035 4.375 4.340 0.000 0.000 0.208 1134 L C 2.813 179.609 176.870 -0.123 0.000 1.077 1134 L CA 1.634 56.397 54.840 -0.129 0.000 0.747 1134 L CB -1.489 40.492 42.059 -0.131 0.000 0.896 1134 L HN 0.256 nan 8.230 nan 0.000 0.432 1135 A N -0.599 122.133 122.820 -0.147 0.000 1.902 1135 A HA -0.177 4.143 4.320 0.000 0.000 0.217 1135 A C 2.343 179.871 177.584 -0.094 0.000 1.181 1135 A CA 1.694 53.664 52.037 -0.112 0.000 0.623 1135 A CB -0.673 18.262 19.000 -0.108 0.000 0.818 1135 A HN 0.374 nan 8.150 nan 0.000 0.443 1136 I N -0.522 119.967 120.570 -0.135 0.000 2.179 1136 I HA -0.335 3.835 4.170 0.000 0.000 0.242 1136 I C 2.774 178.842 176.117 -0.082 0.000 1.088 1136 I CA 1.639 62.858 61.300 -0.135 0.000 1.357 1136 I CB -0.486 37.344 38.000 -0.282 0.000 1.051 1136 I HN 0.441 nan 8.210 nan 0.000 0.409 1137 Q N 0.699 120.447 119.800 -0.086 0.000 2.181 1137 Q HA -0.228 4.112 4.340 0.000 0.000 0.205 1137 Q C 1.902 177.877 176.000 -0.042 0.000 0.980 1137 Q CA 1.369 57.139 55.803 -0.056 0.000 0.862 1137 Q CB -0.123 28.581 28.738 -0.057 0.000 0.905 1137 Q HN 0.472 nan 8.270 nan 0.000 0.429 1138 K N -1.043 119.327 120.400 -0.049 0.000 2.525 1138 K HA 0.011 4.331 4.320 0.000 0.000 0.192 1138 K C 0.879 177.459 176.600 -0.033 0.000 1.029 1138 K CA 0.605 56.868 56.287 -0.040 0.000 1.029 1138 K CB 0.466 32.939 32.500 -0.045 0.000 0.814 1138 K HN 0.386 nan 8.250 nan 0.000 0.503 1139 G N 0.497 109.278 108.800 -0.030 0.000 2.205 1139 G HA2 -0.199 3.761 3.960 0.000 0.000 0.180 1139 G HA3 -0.199 3.761 3.960 0.000 0.000 0.180 1139 G C 0.176 175.059 174.900 -0.029 0.000 1.004 1139 G CA -0.204 44.882 45.100 -0.024 0.000 0.670 1139 G HN 0.400 nan 8.290 nan 0.000 0.496 1140 A N 0.258 123.060 122.820 -0.030 0.000 2.483 1140 A HA 0.561 4.882 4.320 0.000 0.000 0.238 1140 A C 0.889 178.486 177.584 0.020 0.000 1.070 1140 A CA 0.574 52.596 52.037 -0.026 0.000 0.770 1140 A CB 0.563 19.563 19.000 0.001 0.000 1.008 1140 A HN 1.190 nan 8.150 nan 0.000 0.497 1141 V N 3.389 123.304 119.914 0.003 0.000 2.439 1141 V HA 0.058 4.178 4.120 0.000 0.000 0.271 1141 V C 0.225 176.484 176.094 0.275 0.000 1.040 1141 V CA 0.294 62.663 62.300 0.115 0.000 1.002 1141 V CB -0.276 31.599 31.823 0.086 0.000 1.000 1141 V HN 0.683 nan 8.190 nan 0.000 0.477 1142 F N 6.961 126.951 119.950 0.067 0.000 2.413 1142 F HA 0.526 5.053 4.527 0.000 0.000 0.359 1142 F C -0.022 175.799 175.800 0.036 0.000 1.122 1142 F CA -0.648 57.379 58.000 0.045 0.000 1.160 1142 F CB 0.304 39.309 39.000 0.009 0.000 1.146 1142 F HN 0.349 nan 8.300 nan 0.000 0.514 1143 I N 5.420 126.151 120.570 0.268 0.000 2.509 1143 I HA 0.424 4.594 4.170 0.000 0.000 0.293 1143 I C 0.217 176.270 176.117 -0.106 0.000 1.020 1143 I CA -0.827 60.455 61.300 -0.030 0.000 1.088 1143 I CB 1.971 39.993 38.000 0.037 0.000 1.267 1143 I HN 0.592 nan 8.210 nan 0.000 0.430 1144 G N 1.852 110.494 108.800 -0.263 0.000 2.415 1144 G HA2 0.419 4.379 3.960 0.000 0.000 0.327 1144 G HA3 0.419 4.379 3.960 0.000 0.000 0.327 1144 G C 0.736 175.528 174.900 -0.180 0.000 1.182 1144 G CA -0.223 44.749 45.100 -0.214 0.000 0.924 1144 G HN 0.717 nan 8.290 nan 0.000 0.470 1145 T N -0.469 114.006 114.554 -0.132 0.000 2.812 1145 T HA -0.004 4.346 4.350 0.000 0.000 0.264 1145 T C 0.797 175.414 174.700 -0.140 0.000 1.042 1145 T CA 1.004 63.023 62.100 -0.134 0.000 1.140 1145 T CB -0.411 68.392 68.868 -0.108 0.000 0.870 1145 T HN 0.766 nan 8.240 nan 0.000 0.445 1146 N N 0.282 118.905 118.700 -0.128 0.000 2.484 1146 N HA 0.445 5.185 4.740 0.000 0.000 0.269 1146 N C -2.829 172.611 175.510 -0.117 0.000 1.237 1146 N CA -1.911 51.067 53.050 -0.121 0.000 0.838 1146 N CB 1.730 40.156 38.487 -0.103 0.000 1.593 1146 N HN -0.185 nan 8.380 nan 0.000 0.485 1147 P HA 0.077 nan 4.420 nan 0.000 0.245 1147 P C -0.899 176.376 177.300 -0.041 0.000 1.203 1147 P CA 0.301 63.346 63.100 -0.091 0.000 0.792 1147 P CB -0.121 31.525 31.700 -0.090 0.000 0.997 1148 D N 1.065 121.431 120.400 -0.056 0.000 2.662 1148 D HA -0.072 4.569 4.640 0.000 0.000 0.233 1148 D C 1.444 177.738 176.300 -0.009 0.000 1.129 1148 D CA 0.210 54.180 54.000 -0.050 0.000 0.851 1148 D CB 0.576 41.328 40.800 -0.080 0.000 1.152 1148 D HN -0.075 nan 8.370 nan 0.000 0.507 1149 L N 1.828 123.059 121.223 0.013 0.000 2.240 1149 L HA 0.063 4.403 4.340 0.000 0.000 0.211 1149 L C 0.652 177.534 176.870 0.021 0.000 1.106 1149 L CA 1.362 56.231 54.840 0.047 0.000 0.793 1149 L CB -0.947 41.145 42.059 0.054 0.000 0.927 1149 L HN 0.419 nan 8.230 nan 0.000 0.446 1150 N N -0.828 117.865 118.700 -0.011 0.000 2.405 1150 N HA 0.413 5.153 4.740 0.000 0.000 0.285 1150 N C -1.101 174.387 175.510 -0.038 0.000 1.262 1150 N CA -0.469 52.572 53.050 -0.015 0.000 0.773 1150 N CB 3.174 41.656 38.487 -0.009 0.000 1.490 1150 N HN -0.174 nan 8.380 nan 0.000 0.486 1151 I N 1.867 122.422 120.570 -0.024 0.000 2.439 1151 I HA 0.361 4.531 4.170 0.000 0.000 0.285 1151 I C -2.570 173.536 176.117 -0.017 0.000 1.021 1151 I CA -2.213 59.069 61.300 -0.030 0.000 1.091 1151 I CB 2.045 40.034 38.000 -0.017 0.000 1.242 1151 I HN 0.249 nan 8.210 nan 0.000 0.439 1152 P HA 0.274 nan 4.420 nan 0.000 0.282 1152 P C -0.869 176.436 177.300 0.009 0.000 1.274 1152 P CA -0.025 63.075 63.100 0.000 0.000 0.770 1152 P CB 0.850 32.551 31.700 0.001 0.000 0.867 1153 T N -0.886 113.679 114.554 0.018 0.000 2.888 1153 T HA 0.280 4.630 4.350 0.000 0.000 0.288 1153 T C 1.046 175.761 174.700 0.026 0.000 1.063 1153 T CA -0.535 61.578 62.100 0.022 0.000 1.010 1153 T CB 1.607 70.487 68.868 0.019 0.000 1.214 1153 T HN 0.147 nan 8.240 nan 0.000 0.533 1154 E N -0.106 120.111 120.200 0.028 0.000 2.333 1154 E HA -0.060 4.291 4.350 0.000 0.000 0.198 1154 E C 2.040 178.655 176.600 0.024 0.000 1.007 1154 E CA 1.049 57.467 56.400 0.028 0.000 0.845 1154 E CB -0.093 29.624 29.700 0.029 0.000 0.766 1154 E HN 0.615 nan 8.360 nan 0.000 0.507 1155 R N -1.100 119.413 120.500 0.022 0.000 2.240 1155 R HA 0.147 4.488 4.340 0.000 0.000 0.203 1155 R C 0.384 176.696 176.300 0.020 0.000 1.011 1155 R CA 0.801 56.913 56.100 0.020 0.000 1.007 1155 R CB 0.209 30.520 30.300 0.018 0.000 0.911 1155 R HN 0.211 nan 8.270 nan 0.000 0.468 1156 G N -0.228 108.585 108.800 0.023 0.000 2.315 1156 G HA2 -0.089 3.871 3.960 0.000 0.000 0.296 1156 G HA3 -0.089 3.871 3.960 0.000 0.000 0.296 1156 G C -1.388 173.527 174.900 0.025 0.000 1.289 1156 G CA -0.859 44.255 45.100 0.024 0.000 0.996 1156 G HN 0.038 nan 8.290 nan 0.000 0.487 1157 L N 1.134 122.374 121.223 0.027 0.000 2.401 1157 L HA 0.360 4.700 4.340 0.000 0.000 0.283 1157 L C 0.003 176.885 176.870 0.020 0.000 1.151 1157 L CA -0.468 54.388 54.840 0.026 0.000 0.942 1157 L CB -0.054 42.027 42.059 0.036 0.000 1.283 1157 L HN 0.340 nan 8.230 nan 0.000 0.442 1158 L N 5.763 126.996 121.223 0.016 0.000 2.431 1158 L HA 0.494 4.834 4.340 0.000 0.000 0.260 1158 L C -2.011 174.868 176.870 0.015 0.000 1.098 1158 L CA -1.939 52.911 54.840 0.016 0.000 0.800 1158 L CB 0.024 42.092 42.059 0.015 0.000 1.210 1158 L HN 0.253 nan 8.230 nan 0.000 0.465 1159 P HA 0.148 nan 4.420 nan 0.000 0.267 1159 P C -0.255 177.057 177.300 0.020 0.000 1.209 1159 P CA 0.087 63.203 63.100 0.026 0.000 0.763 1159 P CB 0.434 32.154 31.700 0.033 0.000 0.816 1160 G N 2.052 110.864 108.800 0.020 0.000 2.531 1160 G HA2 0.422 4.382 3.960 0.000 0.000 0.313 1160 G HA3 0.422 4.382 3.960 0.000 0.000 0.313 1160 G C 1.069 175.978 174.900 0.015 0.000 1.238 1160 G CA -0.140 44.964 45.100 0.006 0.000 0.994 1160 G HN 0.419 nan 8.290 nan 0.000 0.493 1161 A N -0.447 122.371 122.820 -0.004 0.000 1.917 1161 A HA 0.003 4.323 4.320 0.000 0.000 0.219 1161 A C 2.590 180.174 177.584 0.001 0.000 1.182 1161 A CA 2.562 54.594 52.037 -0.008 0.000 0.633 1161 A CB -1.174 17.804 19.000 -0.036 0.000 0.819 1161 A HN 1.170 nan 8.150 nan 0.000 0.448 1162 G N -0.765 108.036 108.800 0.001 0.000 2.450 1162 G HA2 -0.010 3.950 3.960 0.000 0.000 0.220 1162 G HA3 -0.010 3.950 3.960 0.000 0.000 0.220 1162 G C 1.674 176.662 174.900 0.148 0.000 1.130 1162 G CA 1.466 46.580 45.100 0.024 0.000 0.760 1162 G HN 0.837 nan 8.290 nan 0.000 0.557 1163 A N 0.717 123.624 122.820 0.145 0.000 1.898 1163 A HA 0.112 4.432 4.320 0.000 0.000 0.216 1163 A C 2.382 180.065 177.584 0.166 0.000 1.181 1163 A CA 1.137 53.285 52.037 0.184 0.000 0.620 1163 A CB -0.287 18.777 19.000 0.107 0.000 0.819 1163 A HN 0.370 nan 8.150 nan 0.000 0.442 1164 I N -0.267 120.365 120.570 0.104 0.000 2.226 1164 I HA -0.256 3.914 4.170 0.000 0.000 0.245 1164 I C 2.359 178.543 176.117 0.112 0.000 1.100 1164 I CA 1.048 62.404 61.300 0.092 0.000 1.374 1164 I CB -0.403 37.635 38.000 0.062 0.000 1.057 1164 I HN 0.282 nan 8.210 nan 0.000 0.413 1165 L N -0.334 120.935 121.223 0.076 0.000 2.042 1165 L HA -0.249 4.091 4.340 0.000 0.000 0.210 1165 L C 2.549 179.433 176.870 0.023 0.000 1.076 1165 L CA 1.543 56.412 54.840 0.049 0.000 0.749 1165 L CB -0.598 41.364 42.059 -0.162 0.000 0.893 1165 L HN 0.135 nan 8.230 nan 0.000 0.432 1166 F N -0.653 119.341 119.950 0.073 0.000 2.171 1166 F HA -0.230 4.298 4.527 0.000 0.000 0.300 1166 F C 2.199 178.043 175.800 0.074 0.000 1.090 1166 F CA 1.031 59.069 58.000 0.063 0.000 1.293 1166 F CB -0.462 38.558 39.000 0.033 0.000 1.013 1166 F HN 0.021 nan 8.300 nan 0.000 0.486 1167 L N 0.312 121.681 121.223 0.243 0.000 2.012 1167 L HA -0.198 4.143 4.340 0.000 0.000 0.210 1167 L C 1.985 178.927 176.870 0.120 0.000 1.073 1167 L CA 1.927 56.861 54.840 0.156 0.000 0.748 1167 L CB -1.384 40.742 42.059 0.111 0.000 0.891 1167 L HN 0.184 nan 8.230 nan 0.000 0.431 1168 L N -0.240 121.052 121.223 0.116 0.000 2.093 1168 L HA -0.197 4.143 4.340 0.000 0.000 0.208 1168 L C 2.645 179.585 176.870 0.118 0.000 1.085 1168 L CA 1.575 56.444 54.840 0.050 0.000 0.755 1168 L CB -0.514 41.536 42.059 -0.015 0.000 0.904 1168 L HN 0.440 nan 8.230 nan 0.000 0.435 1169 E N 0.318 120.660 120.200 0.237 0.000 2.085 1169 E HA -0.242 4.108 4.350 0.000 0.000 0.194 1169 E C 2.134 178.830 176.600 0.160 0.000 0.994 1169 E CA 1.112 57.648 56.400 0.228 0.000 0.801 1169 E CB 0.218 29.990 29.700 0.120 0.000 0.743 1169 E HN 0.224 nan 8.360 nan 0.000 0.453 1170 K N 0.186 120.685 120.400 0.166 0.000 2.057 1170 K HA -0.087 4.233 4.320 0.000 0.000 0.207 1170 K C 2.049 178.696 176.600 0.079 0.000 1.049 1170 K CA 1.156 57.519 56.287 0.127 0.000 0.931 1170 K CB -0.461 32.117 32.500 0.129 0.000 0.714 1170 K HN 0.219 nan 8.250 nan 0.000 0.440 1171 A N 0.896 123.751 122.820 0.059 0.000 2.015 1171 A HA -0.112 4.209 4.320 0.000 0.000 0.219 1171 A C 2.096 179.682 177.584 0.003 0.000 1.163 1171 A CA 2.218 54.269 52.037 0.022 0.000 0.646 1171 A CB -0.490 18.506 19.000 -0.007 0.000 0.806 1171 A HN 0.499 nan 8.150 nan 0.000 0.448 1172 T N -5.797 108.760 114.554 0.005 0.000 2.990 1172 T HA 0.259 4.609 4.350 0.000 0.000 0.250 1172 T C 0.838 175.556 174.700 0.031 0.000 1.041 1172 T CA 0.543 62.638 62.100 -0.008 0.000 1.010 1172 T CB 0.050 68.883 68.868 -0.058 0.000 1.003 1172 T HN 0.476 nan 8.240 nan 0.000 0.499 1173 R N -0.361 120.175 120.500 0.060 0.000 3.963 1173 R HA -0.109 4.231 4.340 0.000 0.000 0.394 1173 R C -0.085 176.264 176.300 0.081 0.000 1.131 1173 R CA 0.730 56.870 56.100 0.067 0.000 1.059 1173 R CB -2.725 27.603 30.300 0.046 0.000 1.614 1173 R HN 0.649 nan 8.270 nan 0.000 0.546 1174 V N -1.052 118.933 119.914 0.120 0.000 2.417 1174 V HA 0.534 4.654 4.120 0.000 0.000 0.291 1174 V C 0.271 176.478 176.094 0.188 0.000 1.024 1174 V CA -1.001 61.389 62.300 0.150 0.000 0.861 1174 V CB 1.878 33.806 31.823 0.175 0.000 0.985 1174 V HN -0.002 nan 8.190 nan 0.000 0.436 1175 K N 7.003 127.441 120.400 0.064 0.000 2.339 1175 K HA 0.404 4.724 4.320 0.000 0.000 0.286 1175 K C -2.375 174.099 176.600 -0.211 0.000 1.050 1175 K CA -1.386 54.862 56.287 -0.065 0.000 0.956 1175 K CB 1.425 33.885 32.500 -0.067 0.000 0.990 1175 K HN 0.698 nan 8.250 nan 0.000 0.475 1176 P HA 0.109 nan 4.420 nan 0.000 0.278 1176 P C -0.278 176.714 177.300 -0.514 0.000 1.238 1176 P CA -0.645 61.862 63.100 -0.987 0.000 0.794 1176 P CB 0.640 31.281 31.700 -1.765 0.000 0.955 1177 I N 3.051 123.396 120.570 -0.375 0.000 2.337 1177 I HA 0.245 4.415 4.170 0.000 0.000 0.291 1177 I C -0.459 175.446 176.117 -0.354 0.000 1.046 1177 I CA -0.672 60.458 61.300 -0.284 0.000 1.324 1177 I CB -0.550 37.340 38.000 -0.185 0.000 1.409 1177 I HN 0.169 nan 8.210 nan 0.000 0.494 1178 I N 8.404 128.779 120.570 -0.325 0.000 2.331 1178 I HA 0.205 4.376 4.170 0.000 0.000 0.292 1178 I C 0.857 176.805 176.117 -0.282 0.000 0.998 1178 I CA -0.594 60.527 61.300 -0.298 0.000 1.267 1178 I CB 1.363 39.207 38.000 -0.261 0.000 1.386 1178 I HN 0.593 nan 8.210 nan 0.000 0.476 1179 I N 4.168 124.574 120.570 -0.274 0.000 2.296 1179 I HA 0.056 4.226 4.170 0.000 0.000 0.242 1179 I C 1.740 177.754 176.117 -0.172 0.000 1.087 1179 I CA 0.724 61.873 61.300 -0.252 0.000 1.393 1179 I CB -1.228 36.628 38.000 -0.241 0.000 1.093 1179 I HN 0.618 nan 8.210 nan 0.000 0.421 1180 G N 1.316 110.023 108.800 -0.155 0.000 2.716 1180 G HA2 0.035 3.995 3.960 0.000 0.000 0.251 1180 G HA3 0.035 3.995 3.960 0.000 0.000 0.251 1180 G C 0.049 174.885 174.900 -0.105 0.000 1.224 1180 G CA -0.409 44.617 45.100 -0.123 0.000 0.891 1180 G HN 0.261 nan 8.290 nan 0.000 0.561 1181 K N 1.074 121.421 120.400 -0.088 0.000 2.485 1181 K HA 0.076 4.396 4.320 0.000 0.000 0.277 1181 K C -1.651 174.892 176.600 -0.093 0.000 0.990 1181 K CA -0.697 55.540 56.287 -0.083 0.000 0.994 1181 K CB 1.009 33.463 32.500 -0.077 0.000 0.906 1181 K HN 0.282 nan 8.250 nan 0.000 0.488 1182 P HA 0.056 nan 4.420 nan 0.000 0.254 1182 P C -0.699 176.554 177.300 -0.080 0.000 1.494 1182 P CA 0.150 63.197 63.100 -0.088 0.000 0.961 1182 P CB 0.460 32.100 31.700 -0.101 0.000 1.493 1183 E N 0.200 120.348 120.200 -0.087 0.000 2.392 1183 E HA 0.222 4.572 4.350 0.000 0.000 0.256 1183 E C 1.522 178.079 176.600 -0.072 0.000 1.145 1183 E CA -0.152 56.195 56.400 -0.088 0.000 0.929 1183 E CB 0.588 30.216 29.700 -0.121 0.000 0.998 1183 E HN -0.033 nan 8.360 nan 0.000 0.442 1184 A N 1.608 124.389 122.820 -0.065 0.000 1.877 1184 A HA -0.162 4.158 4.320 0.000 0.000 0.216 1184 A C 2.235 179.802 177.584 -0.028 0.000 1.186 1184 A CA 1.691 53.704 52.037 -0.040 0.000 0.620 1184 A CB -0.727 18.255 19.000 -0.030 0.000 0.822 1184 A HN 0.370 nan 8.150 nan 0.000 0.443 1185 V N 0.008 119.889 119.914 -0.055 0.000 2.282 1185 V HA -0.304 3.816 4.120 0.000 0.000 0.249 1185 V C 2.400 178.513 176.094 0.032 0.000 1.057 1185 V CA 2.180 64.466 62.300 -0.024 0.000 1.032 1185 V CB -0.683 31.068 31.823 -0.120 0.000 0.645 1185 V HN 0.654 nan 8.190 nan 0.000 0.447 1186 I N -0.911 119.665 120.570 0.011 0.000 2.315 1186 I HA -0.241 3.929 4.170 0.000 0.000 0.248 1186 I C 2.400 178.591 176.117 0.124 0.000 1.117 1186 I CA 1.410 62.766 61.300 0.093 0.000 1.404 1186 I CB -0.001 38.005 38.000 0.010 0.000 1.071 1186 I HN 0.229 nan 8.210 nan 0.000 0.419 1187 M N 0.151 119.779 119.600 0.046 0.000 2.132 1187 M HA -0.167 4.313 4.480 0.000 0.000 0.263 1187 M C 1.906 178.220 176.300 0.023 0.000 1.065 1187 M CA 1.722 57.040 55.300 0.030 0.000 1.122 1187 M CB -1.849 30.750 32.600 -0.001 0.000 1.365 1187 M HN 0.341 nan 8.290 nan 0.000 0.411 1188 N N 0.020 118.735 118.700 0.025 0.000 2.084 1188 N HA -0.158 4.582 4.740 0.000 0.000 0.190 1188 N C 1.697 177.208 175.510 0.003 0.000 1.030 1188 N CA 0.913 53.974 53.050 0.018 0.000 0.849 1188 N CB 0.040 38.545 38.487 0.030 0.000 1.012 1188 N HN 0.234 nan 8.380 nan 0.000 0.423 1189 K N 1.064 121.482 120.400 0.029 0.000 2.057 1189 K HA -0.000 4.320 4.320 0.000 0.000 0.206 1189 K C 2.086 178.540 176.600 -0.243 0.000 1.050 1189 K CA 0.787 57.048 56.287 -0.043 0.000 0.935 1189 K CB -0.413 32.159 32.500 0.120 0.000 0.715 1189 K HN 0.156 nan 8.250 nan 0.000 0.439 1190 A N 1.964 124.690 122.820 -0.157 0.000 1.902 1190 A HA -0.130 4.190 4.320 0.000 0.000 0.217 1190 A C 2.219 179.717 177.584 -0.143 0.000 1.181 1190 A CA 1.095 53.004 52.037 -0.213 0.000 0.623 1190 A CB -0.656 18.361 19.000 0.028 0.000 0.818 1190 A HN 0.231 nan 8.150 nan 0.000 0.443 1191 L N -0.630 120.549 121.223 -0.073 0.000 2.083 1191 L HA -0.202 4.138 4.340 0.000 0.000 0.209 1191 L C 2.222 179.051 176.870 -0.068 0.000 1.083 1191 L CA 2.201 57.010 54.840 -0.051 0.000 0.752 1191 L CB -0.493 41.551 42.059 -0.025 0.000 0.899 1191 L HN 0.474 nan 8.230 nan 0.000 0.433 1192 D N -0.201 120.147 120.400 -0.087 0.000 2.097 1192 D HA -0.204 4.436 4.640 0.000 0.000 0.195 1192 D C 2.168 178.401 176.300 -0.110 0.000 0.989 1192 D CA 1.106 55.056 54.000 -0.084 0.000 0.827 1192 D CB 0.135 40.886 40.800 -0.081 0.000 0.966 1192 D HN 0.333 nan 8.370 nan 0.000 0.456 1193 R N -0.015 120.377 120.500 -0.180 0.000 2.148 1193 R HA -0.106 4.235 4.340 0.000 0.000 0.227 1193 R C 2.276 178.500 176.300 -0.127 0.000 1.103 1193 R CA 0.218 56.208 56.100 -0.183 0.000 0.983 1193 R CB -0.217 29.906 30.300 -0.295 0.000 0.874 1193 R HN 0.154 nan 8.270 nan 0.000 0.451 1194 L N 0.235 121.396 121.223 -0.103 0.000 2.191 1194 L HA 0.007 4.347 4.340 0.000 0.000 0.212 1194 L C 1.121 177.969 176.870 -0.037 0.000 1.103 1194 L CA 1.924 56.730 54.840 -0.056 0.000 0.769 1194 L CB -0.455 41.588 42.059 -0.027 0.000 0.908 1194 L HN 0.450 nan 8.230 nan 0.000 0.438 1195 G N -1.160 107.614 108.800 -0.043 0.000 2.160 1195 G HA2 -0.220 3.740 3.960 0.000 0.000 0.251 1195 G HA3 -0.220 3.740 3.960 0.000 0.000 0.251 1195 G C 0.165 175.054 174.900 -0.018 0.000 1.008 1195 G CA 0.357 45.439 45.100 -0.029 0.000 0.724 1195 G HN 0.352 nan 8.290 nan 0.000 0.514 1196 V N -0.379 119.523 119.914 -0.021 0.000 3.074 1196 V HA 0.554 4.675 4.120 0.000 0.000 0.314 1196 V C 0.596 176.665 176.094 -0.042 0.000 1.117 1196 V CA -1.155 61.129 62.300 -0.027 0.000 1.014 1196 V CB 1.978 33.790 31.823 -0.020 0.000 1.057 1196 V HN 0.291 nan 8.190 nan 0.000 0.438 1197 K N 1.206 121.559 120.400 -0.078 0.000 2.237 1197 K HA 0.294 4.614 4.320 0.000 0.000 0.270 1197 K C 1.100 177.641 176.600 -0.099 0.000 1.015 1197 K CA -0.322 55.922 56.287 -0.072 0.000 0.949 1197 K CB 0.873 33.331 32.500 -0.070 0.000 0.976 1197 K HN 0.505 nan 8.250 nan 0.000 0.472 1198 R N 1.791 122.294 120.500 0.005 0.000 2.113 1198 R HA -0.220 4.120 4.340 0.000 0.000 0.244 1198 R C 2.125 178.453 176.300 0.046 0.000 1.142 1198 R CA 2.099 58.219 56.100 0.033 0.000 0.953 1198 R CB -0.253 30.091 30.300 0.073 0.000 0.860 1198 R HN 0.762 nan 8.270 nan 0.000 0.438 1199 H N -1.031 118.073 119.070 0.057 0.000 2.563 1199 H HA 0.026 4.582 4.556 0.000 0.000 0.272 1199 H C 0.451 175.852 175.328 0.121 0.000 1.005 1199 H CA 0.892 56.990 56.048 0.084 0.000 1.171 1199 H CB 0.092 29.888 29.762 0.057 0.000 1.351 1199 H HN 0.466 nan 8.280 nan 0.000 0.602 1200 E N 0.533 120.515 120.200 -0.365 0.000 2.472 1200 E HA 0.332 4.682 4.350 0.000 0.000 0.196 1200 E C 0.557 177.191 176.600 0.058 0.000 1.033 1200 E CA 0.019 56.306 56.400 -0.187 0.000 0.886 1200 E CB 0.753 30.285 29.700 -0.279 0.000 0.944 1200 E HN 0.476 nan 8.360 nan 0.000 0.492 1201 A N 1.421 124.261 122.820 0.033 0.000 2.269 1201 A HA 0.743 5.063 4.320 0.000 0.000 0.327 1201 A C -0.571 176.951 177.584 -0.105 0.000 1.112 1201 A CA -0.531 51.488 52.037 -0.030 0.000 0.865 1201 A CB 0.945 19.918 19.000 -0.045 0.000 1.227 1201 A HN 0.204 nan 8.150 nan 0.000 0.498 1202 I N 0.164 120.549 120.570 -0.309 0.000 2.722 1202 I HA 0.478 4.648 4.170 0.000 0.000 0.292 1202 I C -1.327 174.627 176.117 -0.272 0.000 1.267 1202 I CA -0.814 60.230 61.300 -0.426 0.000 1.036 1202 I CB 1.960 39.414 38.000 -0.910 0.000 1.281 1202 I HN 0.747 nan 8.210 nan 0.000 0.423 1203 M N 8.333 127.822 119.600 -0.185 0.000 2.108 1203 M HA 0.487 4.968 4.480 0.000 0.000 0.354 1203 M C -1.742 174.476 176.300 -0.137 0.000 1.229 1203 M CA -0.209 55.022 55.300 -0.115 0.000 1.081 1203 M CB 1.082 33.629 32.600 -0.088 0.000 1.606 1203 M HN 0.288 nan 8.290 nan 0.000 0.467 1204 V N 5.597 125.444 119.914 -0.112 0.000 2.384 1204 V HA 0.967 5.087 4.120 0.000 0.000 0.287 1204 V C 0.441 176.447 176.094 -0.146 0.000 1.020 1204 V CA -0.251 61.944 62.300 -0.175 0.000 0.850 1204 V CB 0.737 32.424 31.823 -0.228 0.000 0.987 1204 V HN 1.005 nan 8.190 nan 0.000 0.436 1205 G N 2.818 111.530 108.800 -0.145 0.000 2.600 1205 G HA2 0.503 4.463 3.960 0.000 0.000 0.293 1205 G HA3 0.503 4.463 3.960 0.000 0.000 0.293 1205 G C -0.340 174.507 174.900 -0.089 0.000 1.408 1205 G CA 0.154 45.186 45.100 -0.113 0.000 0.782 1205 G HN 0.558 nan 8.290 nan 0.000 0.482 1206 D N -1.512 118.852 120.400 -0.060 0.000 2.449 1206 D HA 0.022 4.662 4.640 0.000 0.000 0.210 1206 D C -0.082 176.267 176.300 0.081 0.000 1.094 1206 D CA -0.141 53.851 54.000 -0.014 0.000 0.846 1206 D CB 0.560 41.338 40.800 -0.037 0.000 1.003 1206 D HN 0.176 nan 8.370 nan 0.000 0.504 1207 N N 0.491 119.237 118.700 0.077 0.000 2.469 1207 N HA 0.001 4.741 4.740 0.000 0.000 0.253 1207 N C 0.108 175.708 175.510 0.149 0.000 0.970 1207 N CA -0.455 52.702 53.050 0.179 0.000 0.940 1207 N CB 1.069 39.565 38.487 0.014 0.000 1.128 1207 N HN -0.044 nan 8.380 nan 0.000 0.503 1208 Y N 4.359 124.742 120.300 0.138 0.000 2.097 1208 Y HA -0.234 4.316 4.550 0.000 0.000 0.282 1208 Y C 1.899 177.831 175.900 0.053 0.000 1.152 1208 Y CA 1.741 59.885 58.100 0.073 0.000 1.136 1208 Y CB -0.051 38.451 38.460 0.069 0.000 0.975 1208 Y HN 0.601 nan 8.280 nan 0.000 0.498 1209 L N -0.111 121.175 121.223 0.105 0.000 2.083 1209 L HA -0.127 4.213 4.340 0.000 0.000 0.209 1209 L C 2.443 179.243 176.870 -0.117 0.000 1.083 1209 L CA 2.691 57.520 54.840 -0.017 0.000 0.752 1209 L CB -1.170 40.947 42.059 0.096 0.000 0.899 1209 L HN 0.541 nan 8.230 nan 0.000 0.433 1210 T N -5.152 109.336 114.554 -0.110 0.000 2.983 1210 T HA 0.005 4.355 4.350 0.000 0.000 0.250 1210 T C 1.520 176.145 174.700 -0.125 0.000 1.037 1210 T CA 0.724 62.750 62.100 -0.123 0.000 1.142 1210 T CB -0.313 68.475 68.868 -0.134 0.000 0.876 1210 T HN 0.301 nan 8.240 nan 0.000 0.455 1211 D N 1.349 121.676 120.400 -0.121 0.000 2.290 1211 D HA 0.147 4.787 4.640 0.000 0.000 0.224 1211 D C 2.240 178.451 176.300 -0.148 0.000 0.967 1211 D CA 0.480 54.412 54.000 -0.114 0.000 0.893 1211 D CB 0.050 40.797 40.800 -0.087 0.000 1.037 1211 D HN 0.273 nan 8.370 nan 0.000 0.477 1212 I N 1.558 122.006 120.570 -0.204 0.000 2.252 1212 I HA -0.138 4.032 4.170 0.000 0.000 0.245 1212 I C 2.283 178.204 176.117 -0.327 0.000 1.102 1212 I CA 1.110 62.256 61.300 -0.257 0.000 1.385 1212 I CB -1.575 36.246 38.000 -0.299 0.000 1.064 1212 I HN -0.065 nan 8.210 nan 0.000 0.414 1213 T N 1.521 115.809 114.554 -0.443 0.000 2.833 1213 T HA -0.065 4.285 4.350 0.000 0.000 0.269 1213 T C 2.051 176.642 174.700 -0.183 0.000 1.054 1213 T CA 1.329 63.230 62.100 -0.332 0.000 1.135 1213 T CB -0.197 68.491 68.868 -0.300 0.000 0.869 1213 T HN 0.450 nan 8.240 nan 0.000 0.466 1214 A N 1.210 123.935 122.820 -0.160 0.000 1.933 1214 A HA 0.106 4.427 4.320 0.000 0.000 0.218 1214 A C 2.517 180.049 177.584 -0.087 0.000 1.175 1214 A CA 1.851 53.825 52.037 -0.106 0.000 0.628 1214 A CB -1.196 17.749 19.000 -0.092 0.000 0.814 1214 A HN 0.512 nan 8.150 nan 0.000 0.444 1215 G N 0.017 108.758 108.800 -0.099 0.000 2.424 1215 G HA2 -0.100 3.860 3.960 0.000 0.000 0.214 1215 G HA3 -0.100 3.860 3.960 0.000 0.000 0.214 1215 G C 1.528 176.392 174.900 -0.059 0.000 1.202 1215 G CA 0.939 45.995 45.100 -0.073 0.000 0.793 1215 G HN 0.430 nan 8.290 nan 0.000 0.534 1216 I N 0.597 121.122 120.570 -0.074 0.000 2.113 1216 I HA -0.247 3.923 4.170 0.000 0.000 0.242 1216 I C 2.772 178.866 176.117 -0.038 0.000 1.064 1216 I CA 1.591 62.861 61.300 -0.050 0.000 1.320 1216 I CB -0.222 37.743 38.000 -0.059 0.000 1.028 1216 I HN 0.096 nan 8.210 nan 0.000 0.406 1217 K N 0.716 121.085 120.400 -0.052 0.000 2.152 1217 K HA -0.155 4.165 4.320 0.000 0.000 0.206 1217 K C 1.073 177.657 176.600 -0.027 0.000 1.048 1217 K CA 1.313 57.577 56.287 -0.039 0.000 0.933 1217 K CB -0.077 32.392 32.500 -0.051 0.000 0.721 1217 K HN 0.413 nan 8.250 nan 0.000 0.447 1218 N N 1.330 120.013 118.700 -0.029 0.000 2.238 1218 N HA -0.053 4.687 4.740 0.000 0.000 0.222 1218 N C -0.762 174.746 175.510 -0.003 0.000 1.133 1218 N CA 0.160 53.200 53.050 -0.016 0.000 0.854 1218 N CB 0.496 38.971 38.487 -0.020 0.000 1.041 1218 N HN 0.123 nan 8.380 nan 0.000 0.510 1219 D N 1.060 121.459 120.400 -0.001 0.000 2.705 1219 D HA -0.169 4.471 4.640 0.000 0.000 0.240 1219 D C -0.953 175.363 176.300 0.026 0.000 1.137 1219 D CA 0.633 54.642 54.000 0.015 0.000 0.677 1219 D CB -1.321 39.493 40.800 0.023 0.000 1.049 1219 D HN 0.370 nan 8.370 nan 0.000 0.427 1220 I N 0.051 120.626 120.570 0.009 0.000 2.533 1220 I HA 0.582 4.752 4.170 0.000 0.000 0.290 1220 I C 0.927 177.040 176.117 -0.007 0.000 1.056 1220 I CA -1.078 60.227 61.300 0.008 0.000 1.057 1220 I CB 1.824 39.813 38.000 -0.017 0.000 1.240 1220 I HN 0.195 nan 8.210 nan 0.000 0.423 1221 A N 3.937 126.764 122.820 0.013 0.000 2.547 1221 A HA 0.467 4.787 4.320 0.000 0.000 0.233 1221 A C 0.251 177.782 177.584 -0.088 0.000 1.067 1221 A CA 0.309 52.340 52.037 -0.008 0.000 0.763 1221 A CB -0.006 19.015 19.000 0.034 0.000 1.007 1221 A HN 0.771 nan 8.150 nan 0.000 0.506 1222 T N -0.501 114.015 114.554 -0.064 0.000 2.912 1222 T HA 0.595 4.945 4.350 0.000 0.000 0.299 1222 T C -0.758 173.941 174.700 -0.002 0.000 1.052 1222 T CA -0.580 61.480 62.100 -0.067 0.000 0.996 1222 T CB 1.208 70.043 68.868 -0.055 0.000 1.070 1222 T HN 0.865 nan 8.240 nan 0.000 0.465 1223 L N 4.067 125.251 121.223 -0.064 0.000 2.372 1223 L HA 0.572 4.912 4.340 0.000 0.000 0.273 1223 L C -1.157 175.670 176.870 -0.072 0.000 0.989 1223 L CA -1.139 53.672 54.840 -0.048 0.000 0.841 1223 L CB 1.321 43.191 42.059 -0.315 0.000 1.225 1223 L HN 0.685 nan 8.230 nan 0.000 0.414 1224 L N 6.703 127.929 121.223 0.006 0.000 2.282 1224 L HA 0.520 4.860 4.340 0.000 0.000 0.288 1224 L C -1.066 175.794 176.870 -0.016 0.000 1.033 1224 L CA -0.372 54.470 54.840 0.003 0.000 0.807 1224 L CB 1.827 43.928 42.059 0.070 0.000 1.209 1224 L HN 0.359 nan 8.230 nan 0.000 0.423 1225 V N 4.142 124.022 119.914 -0.057 0.000 2.370 1225 V HA 0.182 4.302 4.120 0.000 0.000 0.283 1225 V C 1.500 177.571 176.094 -0.038 0.000 1.023 1225 V CA -0.230 62.030 62.300 -0.067 0.000 0.857 1225 V CB 1.098 32.843 31.823 -0.131 0.000 0.985 1225 V HN 0.881 nan 8.190 nan 0.000 0.443 1226 T N 0.141 114.681 114.554 -0.024 0.000 3.139 1226 T HA -0.100 4.250 4.350 0.000 0.000 0.267 1226 T C 0.910 175.591 174.700 -0.032 0.000 1.164 1226 T CA 1.116 63.202 62.100 -0.024 0.000 1.075 1226 T CB -0.354 68.501 68.868 -0.021 0.000 0.904 1226 T HN 0.697 nan 8.240 nan 0.000 0.540 1227 T N 0.090 114.620 114.554 -0.040 0.000 2.729 1227 T HA 0.508 4.858 4.350 0.000 0.000 0.298 1227 T C 1.206 175.886 174.700 -0.034 0.000 1.013 1227 T CA 0.622 62.697 62.100 -0.042 0.000 0.957 1227 T CB 0.074 68.907 68.868 -0.058 0.000 1.130 1227 T HN 0.995 nan 8.240 nan 0.000 0.526 1228 G N 0.842 109.622 108.800 -0.032 0.000 2.598 1228 G HA2 -0.292 3.668 3.960 0.000 0.000 0.269 1228 G HA3 -0.292 3.668 3.960 0.000 0.000 0.269 1228 G C 0.412 175.346 174.900 0.056 0.000 1.289 1228 G CA 0.527 45.627 45.100 -0.000 0.000 0.926 1228 G HN 0.929 nan 8.290 nan 0.000 0.567 1229 F N 1.728 121.644 119.950 -0.056 0.000 2.041 1229 F HA -0.110 4.417 4.527 0.000 0.000 0.296 1229 F C 2.373 178.161 175.800 -0.019 0.000 1.147 1229 F CA 2.647 60.627 58.000 -0.034 0.000 1.214 1229 F CB -1.087 37.896 39.000 -0.029 0.000 0.947 1229 F HN 0.521 nan 8.300 nan 0.000 0.511 1230 T N 3.668 118.173 114.554 -0.081 0.000 2.754 1230 T HA 0.086 4.437 4.350 0.000 0.000 0.282 1230 T C 0.038 174.651 174.700 -0.146 0.000 0.923 1230 T CA -0.247 61.739 62.100 -0.190 0.000 1.164 1230 T CB -0.236 68.648 68.868 0.026 0.000 0.873 1230 T HN 0.132 nan 8.240 nan 0.000 0.537 1231 K N 5.080 125.359 120.400 -0.202 0.000 2.319 1231 K HA 0.090 4.410 4.320 0.000 0.000 0.265 1231 K C -1.154 175.388 176.600 -0.097 0.000 1.000 1231 K CA -1.671 54.537 56.287 -0.131 0.000 0.943 1231 K CB 0.483 32.900 32.500 -0.139 0.000 0.950 1231 K HN 0.258 nan 8.250 nan 0.000 0.485 1232 P HA -0.166 nan 4.420 nan 0.000 0.219 1232 P C 0.033 177.300 177.300 -0.056 0.000 1.146 1232 P CA 1.435 64.505 63.100 -0.050 0.000 0.808 1232 P CB 0.322 32.001 31.700 -0.035 0.000 0.779 1233 E N 0.297 120.458 120.200 -0.065 0.000 2.285 1233 E HA -0.092 4.259 4.350 0.000 0.000 0.194 1233 E C 1.859 178.411 176.600 -0.078 0.000 0.997 1233 E CA 0.737 57.099 56.400 -0.063 0.000 0.845 1233 E CB -0.569 29.095 29.700 -0.059 0.000 0.782 1233 E HN 0.466 nan 8.360 nan 0.000 0.491 1234 E N 0.404 120.543 120.200 -0.101 0.000 2.358 1234 E HA -0.098 4.252 4.350 0.000 0.000 0.195 1234 E C 2.106 178.622 176.600 -0.140 0.000 1.010 1234 E CA 0.875 57.200 56.400 -0.126 0.000 0.856 1234 E CB -0.005 29.600 29.700 -0.159 0.000 0.795 1234 E HN 0.298 nan 8.360 nan 0.000 0.504 1235 V N -0.646 119.198 119.914 -0.116 0.000 2.407 1235 V HA -0.140 3.980 4.120 0.000 0.000 0.248 1235 V C -0.824 175.202 176.094 -0.113 0.000 1.055 1235 V CA 1.259 63.487 62.300 -0.119 0.000 1.049 1235 V CB -1.777 30.007 31.823 -0.065 0.000 0.662 1235 V HN 0.092 nan 8.190 nan 0.000 0.455 1236 P HA -0.006 nan 4.420 nan 0.000 0.218 1236 P C 1.591 178.840 177.300 -0.084 0.000 1.149 1236 P CA 2.134 65.192 63.100 -0.070 0.000 0.817 1236 P CB -0.241 31.427 31.700 -0.052 0.000 0.785 1237 A N -1.253 121.503 122.820 -0.105 0.000 2.208 1237 A HA 0.068 4.388 4.320 0.000 0.000 0.209 1237 A C 0.887 178.379 177.584 -0.152 0.000 1.161 1237 A CA -0.008 51.964 52.037 -0.108 0.000 0.782 1237 A CB -1.072 17.869 19.000 -0.098 0.000 0.816 1237 A HN 0.103 nan 8.150 nan 0.000 0.477 1238 L N 0.920 122.005 121.223 -0.229 0.000 2.525 1238 L HA 0.045 4.385 4.340 0.000 0.000 0.278 1238 L C -0.681 176.073 176.870 -0.193 0.000 1.218 1238 L CA -1.134 53.482 54.840 -0.373 0.000 0.878 1238 L CB 0.247 41.959 42.059 -0.578 0.000 1.127 1238 L HN 0.217 nan 8.230 nan 0.000 0.492 1239 P HA -0.078 nan 4.420 nan 0.000 0.217 1239 P C 0.180 177.499 177.300 0.033 0.000 1.150 1239 P CA 1.331 64.425 63.100 -0.009 0.000 0.832 1239 P CB 0.452 32.180 31.700 0.047 0.000 0.787 1240 I N 0.433 121.064 120.570 0.102 0.000 2.478 1240 I HA 0.258 4.429 4.170 0.000 0.000 0.287 1240 I C 0.229 176.431 176.117 0.143 0.000 1.042 1240 I CA -1.297 60.076 61.300 0.121 0.000 1.067 1240 I CB 1.617 39.708 38.000 0.152 0.000 1.233 1240 I HN -0.096 nan 8.210 nan 0.000 0.431 1241 Q N 6.660 126.497 119.800 0.061 0.000 2.332 1241 Q HA 0.318 4.658 4.340 0.000 0.000 0.263 1241 Q C -2.018 174.024 176.000 0.070 0.000 0.979 1241 Q CA -1.250 54.583 55.803 0.050 0.000 0.885 1241 Q CB 0.865 29.605 28.738 0.003 0.000 1.218 1241 Q HN 0.375 nan 8.270 nan 0.000 0.405 1242 P HA 0.041 nan 4.420 nan 0.000 0.273 1242 P C -0.040 177.232 177.300 -0.047 0.000 1.250 1242 P CA -0.254 62.877 63.100 0.052 0.000 0.793 1242 P CB 0.927 32.679 31.700 0.087 0.000 1.011 1243 D N -0.688 119.637 120.400 -0.125 0.000 2.178 1243 D HA -0.037 4.603 4.640 0.000 0.000 0.201 1243 D C 0.163 176.060 176.300 -0.672 0.000 0.980 1243 D CA 1.676 55.439 54.000 -0.396 0.000 0.842 1243 D CB -0.003 40.540 40.800 -0.427 0.000 0.948 1243 D HN 0.299 nan 8.370 nan 0.000 0.472 1244 F N -0.557 119.443 119.950 0.084 0.000 2.591 1244 F HA 0.357 4.885 4.527 0.000 0.000 0.309 1244 F C -0.349 175.492 175.800 0.067 0.000 1.098 1244 F CA -1.045 57.023 58.000 0.115 0.000 0.937 1244 F CB 2.102 41.235 39.000 0.221 0.000 1.250 1244 F HN -0.449 nan 8.300 nan 0.000 0.447 1245 V N 4.236 124.308 119.914 0.264 0.000 2.577 1245 V HA 0.618 4.738 4.120 0.000 0.000 0.303 1245 V C -0.661 175.513 176.094 0.133 0.000 1.042 1245 V CA -0.681 61.706 62.300 0.144 0.000 0.872 1245 V CB 1.972 33.848 31.823 0.088 0.000 0.998 1245 V HN 0.595 nan 8.190 nan 0.000 0.423 1246 L N 2.990 124.264 121.223 0.085 0.000 2.388 1246 L HA 0.488 4.828 4.340 0.000 0.000 0.264 1246 L C 1.105 177.988 176.870 0.022 0.000 0.998 1246 L CA -0.482 54.397 54.840 0.065 0.000 0.817 1246 L CB 2.660 44.764 42.059 0.075 0.000 1.338 1246 L HN 0.722 nan 8.230 nan 0.000 0.414 1247 S N -0.874 114.838 115.700 0.020 0.000 2.470 1247 S HA 0.059 4.529 4.470 0.000 0.000 0.225 1247 S C 0.576 175.171 174.600 -0.008 0.000 1.006 1247 S CA 0.189 58.391 58.200 0.003 0.000 0.934 1247 S CB 0.259 63.463 63.200 0.007 0.000 0.778 1247 S HN 0.544 nan 8.310 nan 0.000 0.517 1248 S N -0.195 115.504 115.700 -0.002 0.000 2.533 1248 S HA 0.511 4.981 4.470 0.000 0.000 0.271 1248 S C 0.269 174.864 174.600 -0.009 0.000 1.143 1248 S CA -0.824 57.370 58.200 -0.010 0.000 0.891 1248 S CB 0.891 64.098 63.200 0.011 0.000 1.105 1248 S HN 0.081 nan 8.310 nan 0.000 0.468 1249 L N 3.205 124.394 121.223 -0.058 0.000 2.265 1249 L HA 0.004 4.344 4.340 0.000 0.000 0.215 1249 L C 2.736 179.691 176.870 0.141 0.000 1.117 1249 L CA 2.122 56.914 54.840 -0.081 0.000 0.782 1249 L CB -2.080 39.806 42.059 -0.287 0.000 0.914 1249 L HN 0.899 nan 8.230 nan 0.000 0.441 1250 A N -0.175 122.713 122.820 0.113 0.000 2.024 1250 A HA -0.192 4.128 4.320 0.000 0.000 0.220 1250 A C 2.105 179.759 177.584 0.117 0.000 1.164 1250 A CA 1.235 53.350 52.037 0.131 0.000 0.643 1250 A CB -0.351 18.699 19.000 0.083 0.000 0.806 1250 A HN 0.518 nan 8.150 nan 0.000 0.451 1251 E N -1.484 118.778 120.200 0.103 0.000 2.427 1251 E HA -0.090 4.260 4.350 0.000 0.000 0.196 1251 E C 0.458 177.111 176.600 0.088 0.000 1.028 1251 E CA -0.243 56.203 56.400 0.078 0.000 0.864 1251 E CB -0.026 29.716 29.700 0.069 0.000 0.813 1251 E HN 0.785 nan 8.360 nan 0.000 0.514 1252 W N 2.551 123.805 121.300 -0.076 0.000 2.266 1252 W HA 0.090 4.751 4.660 0.000 0.000 0.317 1252 W C -0.636 175.725 176.519 -0.264 0.000 1.310 1252 W CA -0.075 57.164 57.345 -0.176 0.000 1.207 1252 W CB 0.682 30.060 29.460 -0.136 0.000 1.199 1252 W HN -0.105 nan 8.180 nan 0.000 0.544 1253 D N 5.382 125.213 120.400 -0.947 0.000 2.425 1253 D HA 0.295 4.935 4.640 0.000 0.000 0.240 1253 D C -0.677 175.088 176.300 -0.891 0.000 1.080 1253 D CA -0.381 53.215 54.000 -0.674 0.000 0.836 1253 D CB 0.578 41.133 40.800 -0.408 0.000 1.125 1253 D HN 0.060 nan 8.370 nan 0.000 0.525 1254 F N 0.000 119.763 119.950 -0.312 0.000 2.286 1254 F HA 0.000 4.527 4.527 0.000 0.000 0.279 1254 F CA 0.000 57.942 58.000 -0.097 0.000 1.383 1254 F CB 0.000 39.018 39.000 0.030 0.000 1.145 1254 F HN 0.000 nan 8.300 nan 0.000 0.574