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 2e4a_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MRVVVIGAGV IGLSTALCIH ERYHSVLQPL DIKVYADRFT PLTTTDVAAG DATA SEQUENCE LWQPYLSDPN NPQEADWSQQ TFDYLLSHVH SPNAENLGLF LISGYNLFHE DATA SEQUENCE AIPDPSWKDT VLGFRKLTPR ELDMFPDYGY GWFHTSLILE GKNYLQWLTE DATA SEQUENCE RLTERGVKFF QRKVESFEEV AREGADVIVN CTGVWAGALQ RDPLLQPGRG DATA SEQUENCE QIMKVDAPWM KHFILTHDPE RGIYNSPYII PGTQTVTLGG IFQLGNWSEL DATA SEQUENCE NNIQDHNTIW EGCCRLEPTL KNARIIGERT GFRPVRPQIR LEREQLRTGP DATA SEQUENCE SNTEVIHNYG HGGYGLTIHW GCALEAAKLF GRILEEKKLS 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.329 176.300 0.049 0.000 1.140 1001 M CA 0.000 55.318 55.300 0.030 0.000 0.988 1001 M CB 0.000 32.622 32.600 0.037 0.000 1.302 1002 R N 2.977 123.497 120.500 0.034 0.000 2.295 1002 R HA 0.757 5.097 4.340 -0.001 0.000 0.324 1002 R C -1.425 174.892 176.300 0.028 0.000 0.968 1002 R CA -0.716 55.399 56.100 0.024 0.000 0.837 1002 R CB 2.077 32.381 30.300 0.006 0.000 1.133 1002 R HN 0.504 nan 8.270 nan 0.000 0.450 1003 V N 4.241 124.165 119.914 0.016 0.000 2.448 1003 V HA 0.363 4.482 4.120 -0.001 0.000 0.295 1003 V C -0.336 175.706 176.094 -0.087 0.000 1.025 1003 V CA -0.803 61.498 62.300 0.002 0.000 0.859 1003 V CB 2.021 33.850 31.823 0.010 0.000 0.988 1003 V HN 0.430 nan 8.190 nan 0.000 0.431 1004 V N 5.652 125.503 119.914 -0.106 0.000 2.350 1004 V HA 0.399 4.518 4.120 -0.001 0.000 0.285 1004 V C -0.172 175.831 176.094 -0.152 0.000 1.014 1004 V CA -0.574 61.594 62.300 -0.219 0.000 0.831 1004 V CB 1.843 33.504 31.823 -0.270 0.000 1.000 1004 V HN 0.606 nan 8.190 nan 0.000 0.433 1005 V N 6.894 126.703 119.914 -0.175 0.000 2.383 1005 V HA 0.450 4.570 4.120 -0.001 0.000 0.275 1005 V C 0.024 176.087 176.094 -0.053 0.000 1.036 1005 V CA -0.287 61.961 62.300 -0.087 0.000 0.889 1005 V CB 1.522 33.290 31.823 -0.091 0.000 0.985 1005 V HN 0.676 nan 8.190 nan 0.000 0.459 1006 I N 4.843 125.434 120.570 0.035 0.000 2.312 1006 I HA 0.753 4.923 4.170 -0.001 0.000 0.290 1006 I C 0.674 176.842 176.117 0.084 0.000 1.008 1006 I CA -0.046 61.310 61.300 0.093 0.000 1.226 1006 I CB 1.218 39.306 38.000 0.146 0.000 1.371 1006 I HN 0.818 nan 8.210 nan 0.000 0.468 1007 G N 4.303 113.132 108.800 0.049 0.000 3.014 1007 G HA2 0.220 4.179 3.960 -0.001 0.000 0.683 1007 G HA3 0.220 4.179 3.960 -0.001 0.000 0.683 1007 G C -0.511 174.393 174.900 0.006 0.000 1.271 1007 G CA -0.312 44.801 45.100 0.022 0.000 0.843 1007 G HN 0.896 nan 8.290 nan 0.000 0.612 1008 A N 1.143 123.926 122.820 -0.061 0.000 2.631 1008 A HA 0.797 5.117 4.320 -0.001 0.000 0.294 1008 A C 1.290 178.888 177.584 0.023 0.000 1.156 1008 A CA 1.159 53.192 52.037 -0.006 0.000 0.963 1008 A CB -0.076 18.842 19.000 -0.138 0.000 1.202 1008 A HN 2.103 nan 8.150 nan 0.000 0.523 1009 G N -1.246 107.576 108.800 0.037 0.000 2.509 1009 G HA2 0.342 4.302 3.960 -0.001 0.000 0.269 1009 G HA3 0.342 4.302 3.960 -0.001 0.000 0.269 1009 G C 1.118 176.043 174.900 0.042 0.000 1.416 1009 G CA 0.419 45.550 45.100 0.051 0.000 1.052 1009 G HN 0.417 nan 8.290 nan 0.000 0.542 1010 V N -0.162 119.768 119.914 0.026 0.000 2.407 1010 V HA -0.119 4.001 4.120 -0.001 0.000 0.248 1010 V C 2.620 178.738 176.094 0.040 0.000 1.055 1010 V CA 1.384 63.693 62.300 0.015 0.000 1.049 1010 V CB -0.523 31.282 31.823 -0.030 0.000 0.662 1010 V HN 0.497 nan 8.190 nan 0.000 0.455 1011 I N 0.879 121.451 120.570 0.003 0.000 2.163 1011 I HA -0.069 4.101 4.170 -0.001 0.000 0.240 1011 I C 2.741 178.879 176.117 0.036 0.000 1.081 1011 I CA 1.777 63.068 61.300 -0.014 0.000 1.353 1011 I CB -2.186 35.759 38.000 -0.091 0.000 1.054 1011 I HN 0.379 nan 8.210 nan 0.000 0.407 1012 G N 1.376 110.206 108.800 0.050 0.000 2.459 1012 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.217 1012 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.217 1012 G C 1.811 176.738 174.900 0.045 0.000 1.183 1012 G CA 0.587 45.717 45.100 0.050 0.000 0.776 1012 G HN 0.300 nan 8.290 nan 0.000 0.552 1013 L N 1.289 122.551 121.223 0.065 0.000 2.072 1013 L HA -0.070 4.269 4.340 -0.001 0.000 0.205 1013 L C 3.359 180.272 176.870 0.070 0.000 1.079 1013 L CA 1.559 56.443 54.840 0.073 0.000 0.752 1013 L CB -0.546 41.557 42.059 0.075 0.000 0.906 1013 L HN 0.482 nan 8.230 nan 0.000 0.436 1014 S N -1.446 114.325 115.700 0.117 0.000 2.383 1014 S HA -0.157 4.312 4.470 -0.001 0.000 0.227 1014 S C 1.940 176.594 174.600 0.091 0.000 1.026 1014 S CA 1.510 59.847 58.200 0.229 0.000 0.981 1014 S CB -0.653 62.836 63.200 0.481 0.000 0.818 1014 S HN 0.307 nan 8.310 nan 0.000 0.472 1015 T N 2.802 117.367 114.554 0.019 0.000 2.708 1015 T HA 0.054 4.403 4.350 -0.001 0.000 0.266 1015 T C 2.239 176.893 174.700 -0.076 0.000 1.037 1015 T CA 1.507 63.569 62.100 -0.064 0.000 1.146 1015 T CB -0.923 67.914 68.868 -0.051 0.000 0.865 1015 T HN 0.640 nan 8.240 nan 0.000 0.435 1016 A N 1.259 124.048 122.820 -0.051 0.000 1.908 1016 A HA -0.059 4.260 4.320 -0.001 0.000 0.218 1016 A C 2.239 179.792 177.584 -0.051 0.000 1.181 1016 A CA 1.392 53.383 52.037 -0.077 0.000 0.627 1016 A CB -0.814 18.134 19.000 -0.086 0.000 0.818 1016 A HN 0.398 nan 8.150 nan 0.000 0.445 1017 L N -0.414 120.804 121.223 -0.009 0.000 2.027 1017 L HA -0.136 4.203 4.340 -0.001 0.000 0.206 1017 L C 2.541 179.433 176.870 0.037 0.000 1.074 1017 L CA 2.008 56.864 54.840 0.026 0.000 0.745 1017 L CB -1.153 40.961 42.059 0.091 0.000 0.898 1017 L HN 0.461 nan 8.230 nan 0.000 0.433 1018 C N -0.346 118.938 119.300 -0.028 0.000 2.398 1018 C HA -0.208 4.252 4.460 -0.001 0.000 0.276 1018 C C 2.787 177.704 174.990 -0.121 0.000 1.222 1018 C CA 1.197 60.131 59.018 -0.140 0.000 1.746 1018 C CB -0.866 26.675 27.740 -0.333 0.000 2.039 1018 C HN 0.596 nan 8.230 nan 0.000 0.470 1019 I N -0.567 119.932 120.570 -0.118 0.000 2.127 1019 I HA -0.268 3.902 4.170 -0.001 0.000 0.241 1019 I C 2.746 178.834 176.117 -0.048 0.000 1.075 1019 I CA 1.961 63.180 61.300 -0.135 0.000 1.334 1019 I CB -0.769 37.017 38.000 -0.357 0.000 1.040 1019 I HN 0.551 nan 8.210 nan 0.000 0.405 1020 H N 1.672 120.669 119.070 -0.122 0.000 2.326 1020 H HA -0.199 4.356 4.556 -0.001 0.000 0.301 1020 H C 2.073 177.336 175.328 -0.109 0.000 1.081 1020 H CA 2.009 58.008 56.048 -0.080 0.000 1.334 1020 H CB 0.008 29.706 29.762 -0.106 0.000 1.385 1020 H HN 0.538 nan 8.280 nan 0.000 0.504 1021 E N 0.369 120.558 120.200 -0.019 0.000 2.265 1021 E HA -0.194 4.155 4.350 -0.001 0.000 0.196 1021 E C 2.235 178.787 176.600 -0.080 0.000 0.996 1021 E CA 0.952 57.287 56.400 -0.109 0.000 0.832 1021 E CB -0.191 29.519 29.700 0.017 0.000 0.756 1021 E HN 0.287 nan 8.360 nan 0.000 0.491 1022 R N -1.192 119.205 120.500 -0.173 0.000 2.282 1022 R HA 0.091 4.430 4.340 -0.001 0.000 0.195 1022 R C 0.276 176.218 176.300 -0.596 0.000 0.909 1022 R CA 0.374 56.227 56.100 -0.412 0.000 1.039 1022 R CB 0.450 30.369 30.300 -0.635 0.000 1.015 1022 R HN 0.181 nan 8.270 nan 0.000 0.513 1023 Y N -1.656 118.677 120.300 0.054 0.000 2.717 1023 Y HA 0.146 4.696 4.550 -0.001 0.000 0.250 1023 Y C 0.962 176.862 175.900 0.001 0.000 1.149 1023 Y CA -0.532 57.594 58.100 0.044 0.000 1.211 1023 Y CB 0.005 38.527 38.460 0.103 0.000 1.289 1023 Y HN 0.234 nan 8.280 nan 0.000 0.552 1024 H N -2.315 116.668 119.070 -0.145 0.000 2.457 1024 H HA -0.051 4.504 4.556 -0.001 0.000 0.294 1024 H C 1.985 177.259 175.328 -0.090 0.000 1.064 1024 H CA 1.312 57.217 56.048 -0.239 0.000 1.330 1024 H CB 0.011 29.413 29.762 -0.599 0.000 1.395 1024 H HN 0.145 nan 8.280 nan 0.000 0.541 1025 S N 1.329 116.704 115.700 -0.542 0.000 2.356 1025 S HA -0.128 4.341 4.470 -0.001 0.000 0.219 1025 S C 2.285 176.805 174.600 -0.134 0.000 1.036 1025 S CA 0.737 58.700 58.200 -0.395 0.000 0.965 1025 S CB -0.833 62.107 63.200 -0.433 0.000 0.864 1025 S HN 0.411 nan 8.310 nan 0.000 0.471 1026 V N -0.252 119.633 119.914 -0.048 0.000 2.867 1026 V HA 0.253 4.372 4.120 -0.001 0.000 0.260 1026 V C 0.921 177.039 176.094 0.039 0.000 1.099 1026 V CA 0.707 63.023 62.300 0.027 0.000 1.122 1026 V CB -1.191 30.697 31.823 0.109 0.000 0.708 1026 V HN 0.409 nan 8.190 nan 0.000 0.490 1027 L N 0.936 122.189 121.223 0.049 0.000 2.309 1027 L HA 0.393 4.733 4.340 -0.001 0.000 0.282 1027 L C 1.183 178.070 176.870 0.029 0.000 1.036 1027 L CA -0.449 54.422 54.840 0.052 0.000 0.806 1027 L CB 1.786 43.904 42.059 0.098 0.000 1.220 1027 L HN 0.162 nan 8.230 nan 0.000 0.429 1028 Q N 3.453 123.266 119.800 0.022 0.000 0.657 1028 Q HA 0.009 4.349 4.340 -0.001 0.000 0.888 1028 Q C -1.776 174.239 176.000 0.026 0.000 0.859 1028 Q CA 0.167 55.980 55.803 0.016 0.000 0.884 1028 Q CB -1.491 27.253 28.738 0.010 0.000 1.050 1028 Q HN 0.424 nan 8.270 nan 0.000 0.169 1029 P HA 0.206 nan 4.420 nan 0.000 0.282 1029 P C -0.918 176.414 177.300 0.053 0.000 1.274 1029 P CA -0.085 63.038 63.100 0.039 0.000 0.770 1029 P CB 0.400 32.120 31.700 0.033 0.000 0.867 1030 L N 3.576 124.840 121.223 0.068 0.000 2.297 1030 L HA 0.404 4.743 4.340 -0.001 0.000 0.277 1030 L C -0.609 176.312 176.870 0.085 0.000 1.040 1030 L CA -0.267 54.625 54.840 0.087 0.000 0.867 1030 L CB 0.272 42.389 42.059 0.098 0.000 1.244 1030 L HN 0.185 nan 8.230 nan 0.000 0.433 1031 D N 4.569 125.008 120.400 0.065 0.000 2.373 1031 D HA 0.451 5.090 4.640 -0.001 0.000 0.227 1031 D C -0.630 175.684 176.300 0.023 0.000 1.091 1031 D CA -0.079 53.950 54.000 0.049 0.000 0.840 1031 D CB 0.773 41.597 40.800 0.040 0.000 1.060 1031 D HN 0.427 nan 8.370 nan 0.000 0.502 1032 I N 3.073 123.647 120.570 0.007 0.000 2.493 1032 I HA 0.462 4.631 4.170 -0.001 0.000 0.298 1032 I C 0.063 176.125 176.117 -0.092 0.000 0.998 1032 I CA -0.892 60.375 61.300 -0.054 0.000 1.137 1032 I CB 1.813 39.775 38.000 -0.063 0.000 1.310 1032 I HN 0.129 nan 8.210 nan 0.000 0.445 1033 K N 3.618 123.926 120.400 -0.152 0.000 2.523 1033 K HA 0.626 4.946 4.320 -0.001 0.000 0.257 1033 K C -1.678 174.753 176.600 -0.281 0.000 0.932 1033 K CA -0.612 55.578 56.287 -0.162 0.000 0.812 1033 K CB 3.048 35.491 32.500 -0.096 0.000 1.326 1033 K HN 0.262 nan 8.250 nan 0.000 0.433 1034 V N 3.673 123.430 119.914 -0.261 0.000 2.384 1034 V HA 0.402 4.521 4.120 -0.001 0.000 0.287 1034 V C -1.194 175.054 176.094 0.257 0.000 1.020 1034 V CA -0.823 61.380 62.300 -0.162 0.000 0.850 1034 V CB 0.767 32.387 31.823 -0.338 0.000 0.987 1034 V HN 0.570 nan 8.190 nan 0.000 0.436 1035 Y N 2.861 123.242 120.300 0.135 0.000 2.331 1035 Y HA 0.835 5.384 4.550 -0.001 0.000 0.338 1035 Y C 0.358 176.294 175.900 0.059 0.000 0.992 1035 Y CA -1.468 56.735 58.100 0.171 0.000 1.121 1035 Y CB 1.874 40.395 38.460 0.100 0.000 1.184 1035 Y HN 0.754 nan 8.280 nan 0.000 0.469 1036 A N 2.222 125.141 122.820 0.165 0.000 2.549 1036 A HA 0.387 4.707 4.320 -0.001 0.000 0.297 1036 A C 0.326 177.790 177.584 -0.201 0.000 1.061 1036 A CA -0.496 51.410 52.037 -0.218 0.000 0.690 1036 A CB 1.136 19.690 19.000 -0.743 0.000 1.287 1036 A HN 0.757 nan 8.150 nan 0.000 0.402 1037 D N 0.727 120.999 120.400 -0.213 0.000 2.333 1037 D HA 0.028 4.667 4.640 -0.001 0.000 0.208 1037 D C 0.272 176.474 176.300 -0.164 0.000 0.984 1037 D CA 0.491 54.405 54.000 -0.143 0.000 0.873 1037 D CB 0.467 41.172 40.800 -0.160 0.000 0.935 1037 D HN 0.480 nan 8.370 nan 0.000 0.521 1038 R N -0.505 119.806 120.500 -0.314 0.000 2.621 1038 R HA 0.518 4.857 4.340 -0.001 0.000 0.292 1038 R C -1.179 174.892 176.300 -0.381 0.000 0.969 1038 R CA -0.658 55.309 56.100 -0.222 0.000 0.887 1038 R CB 1.813 32.002 30.300 -0.185 0.000 1.180 1038 R HN -0.083 nan 8.270 nan 0.000 0.450 1039 F N -0.630 119.321 119.950 0.003 0.000 2.671 1039 F HA 0.254 4.780 4.527 -0.001 0.000 0.373 1039 F C 1.681 177.480 175.800 -0.001 0.000 1.122 1039 F CA -0.374 57.631 58.000 0.008 0.000 1.082 1039 F CB 1.162 40.156 39.000 -0.012 0.000 1.399 1039 F HN 0.674 nan 8.300 nan 0.000 0.509 1040 T N -0.803 113.897 114.554 0.244 0.000 2.982 1040 T HA -0.269 4.080 4.350 -0.001 0.000 0.224 1040 T C -1.247 173.497 174.700 0.074 0.000 1.215 1040 T CA 2.212 64.380 62.100 0.113 0.000 1.098 1040 T CB -2.320 66.578 68.868 0.051 0.000 0.804 1040 T HN 0.489 nan 8.240 nan 0.000 0.523 1041 P HA 0.374 nan 4.420 nan 0.000 0.268 1041 P C 0.886 178.218 177.300 0.053 0.000 1.248 1041 P CA 0.207 63.338 63.100 0.051 0.000 0.851 1041 P CB -0.034 31.689 31.700 0.038 0.000 1.238 1042 L N 0.247 121.506 121.223 0.061 0.000 2.928 1042 L HA 0.275 4.614 4.340 -0.001 0.000 0.246 1042 L C 0.928 177.839 176.870 0.069 0.000 1.239 1042 L CA -0.134 54.741 54.840 0.057 0.000 1.035 1042 L CB -0.433 41.655 42.059 0.048 0.000 1.360 1042 L HN -0.059 nan 8.230 nan 0.000 0.529 1043 T N -5.569 109.030 114.554 0.075 0.000 2.944 1043 T HA 0.248 4.597 4.350 -0.001 0.000 0.284 1043 T C 1.201 175.978 174.700 0.128 0.000 1.010 1043 T CA -0.302 61.866 62.100 0.113 0.000 1.025 1043 T CB 1.716 70.633 68.868 0.082 0.000 1.079 1043 T HN 0.015 nan 8.240 nan 0.000 0.516 1044 T N 1.487 116.152 114.554 0.185 0.000 2.720 1044 T HA -0.126 4.224 4.350 -0.001 0.000 0.268 1044 T C 2.084 176.811 174.700 0.046 0.000 1.037 1044 T CA 2.150 64.311 62.100 0.102 0.000 1.144 1044 T CB -0.996 67.930 68.868 0.096 0.000 0.864 1044 T HN 0.843 nan 8.240 nan 0.000 0.444 1045 T N 2.320 116.908 114.554 0.056 0.000 2.737 1045 T HA -0.167 4.183 4.350 -0.001 0.000 0.269 1045 T C 1.635 176.352 174.700 0.028 0.000 1.040 1045 T CA 1.373 63.492 62.100 0.032 0.000 1.142 1045 T CB -0.486 68.406 68.868 0.041 0.000 0.861 1045 T HN 0.463 nan 8.240 nan 0.000 0.456 1046 D N 0.677 121.101 120.400 0.040 0.000 2.218 1046 D HA -0.055 4.584 4.640 -0.001 0.000 0.204 1046 D C 2.109 178.421 176.300 0.020 0.000 0.976 1046 D CA 0.788 54.809 54.000 0.035 0.000 0.853 1046 D CB -0.068 40.757 40.800 0.042 0.000 0.939 1046 D HN 0.280 nan 8.370 nan 0.000 0.481 1047 V N 1.365 121.284 119.914 0.008 0.000 2.719 1047 V HA -0.028 4.092 4.120 -0.001 0.000 0.252 1047 V C 1.275 177.362 176.094 -0.011 0.000 1.065 1047 V CA 0.493 62.788 62.300 -0.009 0.000 1.086 1047 V CB -0.460 31.341 31.823 -0.036 0.000 0.700 1047 V HN 0.106 nan 8.190 nan 0.000 0.467 1048 A N 0.220 123.029 122.820 -0.019 0.000 2.488 1048 A HA 0.527 4.846 4.320 -0.001 0.000 0.249 1048 A C 1.666 179.230 177.584 -0.034 0.000 1.083 1048 A CA 0.519 52.532 52.037 -0.040 0.000 0.768 1048 A CB 0.398 19.364 19.000 -0.057 0.000 1.017 1048 A HN 0.460 nan 8.150 nan 0.000 0.496 1049 A N 2.478 125.273 122.820 -0.042 0.000 1.883 1049 A HA 0.286 4.605 4.320 -0.001 0.000 0.217 1049 A C 1.948 179.487 177.584 -0.075 0.000 1.186 1049 A CA 2.076 54.090 52.037 -0.038 0.000 0.624 1049 A CB -0.867 18.110 19.000 -0.039 0.000 0.822 1049 A HN 2.676 nan 8.150 nan 0.000 0.444 1050 G N -2.724 106.006 108.800 -0.117 0.000 2.143 1050 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.175 1050 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.175 1050 G C -0.023 174.781 174.900 -0.160 0.000 1.004 1050 G CA 0.063 45.084 45.100 -0.132 0.000 0.671 1050 G HN 0.955 nan 8.290 nan 0.000 0.512 1051 L N 0.631 121.740 121.223 -0.191 0.000 2.455 1051 L HA 0.576 4.915 4.340 -0.001 0.000 0.272 1051 L C 0.611 177.410 176.870 -0.118 0.000 1.174 1051 L CA -0.733 53.983 54.840 -0.206 0.000 0.869 1051 L CB 0.325 42.182 42.059 -0.335 0.000 1.130 1051 L HN 0.250 nan 8.230 nan 0.000 0.474 1052 W N 7.287 128.473 121.300 -0.190 0.000 2.437 1052 W HA 0.411 5.071 4.660 -0.001 0.000 0.312 1052 W C -0.351 176.064 176.519 -0.174 0.000 1.242 1052 W CA -0.121 57.161 57.345 -0.106 0.000 1.340 1052 W CB 0.081 29.555 29.460 0.023 0.000 1.327 1052 W HN 0.616 nan 8.180 nan 0.000 0.476 1053 Q N 7.641 127.043 119.800 -0.665 0.000 2.476 1053 Q HA 0.219 4.558 4.340 -0.001 0.000 0.236 1053 Q C -2.539 172.952 176.000 -0.848 0.000 0.844 1053 Q CA -1.550 53.748 55.803 -0.841 0.000 0.972 1053 Q CB 1.766 30.288 28.738 -0.360 0.000 1.498 1053 Q HN 0.168 nan 8.270 nan 0.000 0.454 1054 P HA 0.087 nan 4.420 nan 0.000 0.275 1054 P C -0.948 176.205 177.300 -0.246 0.000 1.270 1054 P CA -0.196 62.420 63.100 -0.806 0.000 0.791 1054 P CB 0.367 31.548 31.700 -0.865 0.000 1.089 1055 Y N -0.704 119.495 120.300 -0.168 0.000 2.426 1055 Y HA 0.033 4.582 4.550 -0.001 0.000 0.344 1055 Y C 1.928 177.955 175.900 0.212 0.000 1.256 1055 Y CA -0.207 57.899 58.100 0.011 0.000 1.451 1055 Y CB -0.747 37.677 38.460 -0.061 0.000 1.342 1055 Y HN 0.196 nan 8.280 nan 0.000 0.600 1056 L N 0.738 122.184 121.223 0.372 0.000 2.027 1056 L HA -0.097 4.243 4.340 -0.001 0.000 0.206 1056 L C 1.225 178.192 176.870 0.161 0.000 1.074 1056 L CA 1.062 56.096 54.840 0.325 0.000 0.745 1056 L CB -0.785 41.411 42.059 0.230 0.000 0.898 1056 L HN 0.590 nan 8.230 nan 0.000 0.433 1057 S N -0.427 115.335 115.700 0.104 0.000 2.579 1057 S HA 0.058 4.528 4.470 -0.001 0.000 0.275 1057 S C -0.021 174.614 174.600 0.058 0.000 1.345 1057 S CA -0.913 57.313 58.200 0.044 0.000 1.031 1057 S CB 0.668 63.875 63.200 0.012 0.000 0.892 1057 S HN 0.059 nan 8.310 nan 0.000 0.529 1058 D N 3.162 123.569 120.400 0.012 0.000 2.414 1058 D HA 0.267 4.907 4.640 -0.001 0.000 0.242 1058 D C -1.659 174.644 176.300 0.005 0.000 1.129 1058 D CA -0.688 53.311 54.000 -0.003 0.000 0.885 1058 D CB 0.393 41.175 40.800 -0.030 0.000 1.198 1058 D HN 0.511 nan 8.370 nan 0.000 0.437 1059 P HA 0.081 nan 4.420 nan 0.000 0.269 1059 P C 0.432 177.721 177.300 -0.017 0.000 1.215 1059 P CA -0.355 62.729 63.100 -0.026 0.000 0.780 1059 P CB 0.935 32.585 31.700 -0.083 0.000 0.898 1060 N N 0.570 119.274 118.700 0.006 0.000 2.331 1060 N HA -0.084 4.655 4.740 -0.001 0.000 0.180 1060 N C 0.510 176.004 175.510 -0.026 0.000 1.019 1060 N CA 0.972 54.022 53.050 0.000 0.000 0.881 1060 N CB -0.312 38.189 38.487 0.024 0.000 0.972 1060 N HN 0.464 nan 8.380 nan 0.000 0.435 1061 N N 1.692 120.365 118.700 -0.046 0.000 2.469 1061 N HA 0.177 4.917 4.740 -0.001 0.000 0.253 1061 N C -1.958 173.456 175.510 -0.161 0.000 0.970 1061 N CA -2.157 50.835 53.050 -0.097 0.000 0.940 1061 N CB 1.665 40.091 38.487 -0.102 0.000 1.128 1061 N HN -0.114 nan 8.380 nan 0.000 0.503 1062 P HA -0.173 nan 4.420 nan 0.000 0.223 1062 P C 0.827 177.971 177.300 -0.261 0.000 1.144 1062 P CA 1.045 64.048 63.100 -0.162 0.000 0.783 1062 P CB 0.524 32.153 31.700 -0.119 0.000 0.771 1063 Q N -0.052 119.514 119.800 -0.389 0.000 2.291 1063 Q HA -0.132 4.207 4.340 -0.001 0.000 0.205 1063 Q C 2.045 177.405 176.000 -1.067 0.000 0.970 1063 Q CA 0.944 56.329 55.803 -0.697 0.000 0.876 1063 Q CB -0.127 28.140 28.738 -0.785 0.000 0.935 1063 Q HN 0.410 nan 8.270 nan 0.000 0.455 1064 E N -0.315 119.471 120.200 -0.690 0.000 2.152 1064 E HA -0.150 4.200 4.350 -0.001 0.000 0.192 1064 E C 1.842 178.354 176.600 -0.148 0.000 0.983 1064 E CA 0.700 56.890 56.400 -0.351 0.000 0.818 1064 E CB -0.014 29.629 29.700 -0.096 0.000 0.758 1064 E HN 0.353 nan 8.360 nan 0.000 0.467 1065 A N 1.945 124.668 122.820 -0.162 0.000 1.933 1065 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 1065 A C 1.726 179.309 177.584 -0.001 0.000 1.175 1065 A CA 1.625 53.631 52.037 -0.053 0.000 0.628 1065 A CB -0.241 18.728 19.000 -0.052 0.000 0.814 1065 A HN 0.105 nan 8.150 nan 0.000 0.444 1066 D N -1.019 119.323 120.400 -0.096 0.000 2.123 1066 D HA -0.144 4.495 4.640 -0.001 0.000 0.200 1066 D C 1.761 178.175 176.300 0.189 0.000 0.976 1066 D CA 0.907 54.909 54.000 0.004 0.000 0.831 1066 D CB -0.364 40.398 40.800 -0.063 0.000 0.974 1066 D HN 0.658 nan 8.370 nan 0.000 0.469 1067 W N 1.805 123.166 121.300 0.101 0.000 2.338 1067 W HA -0.077 4.583 4.660 -0.000 0.000 0.304 1067 W C 2.593 179.226 176.519 0.189 0.000 1.212 1067 W CA 0.360 57.777 57.345 0.119 0.000 1.264 1067 W CB -1.406 28.119 29.460 0.108 0.000 1.142 1067 W HN -0.061 nan 8.180 nan 0.000 0.512 1068 S N -0.075 115.874 115.700 0.416 0.000 2.368 1068 S HA -0.245 4.224 4.470 -0.001 0.000 0.225 1068 S C 1.760 176.712 174.600 0.586 0.000 1.030 1068 S CA 1.839 60.319 58.200 0.467 0.000 0.999 1068 S CB -0.444 62.921 63.200 0.276 0.000 0.844 1068 S HN 0.281 nan 8.310 nan 0.000 0.459 1069 Q N 1.609 121.641 119.800 0.386 0.000 2.084 1069 Q HA -0.098 4.241 4.340 -0.001 0.000 0.202 1069 Q C 1.999 178.167 176.000 0.279 0.000 0.978 1069 Q CA 1.670 57.639 55.803 0.277 0.000 0.844 1069 Q CB -0.400 28.439 28.738 0.168 0.000 0.898 1069 Q HN 0.574 nan 8.270 nan 0.000 0.426 1070 Q N -0.873 119.109 119.800 0.304 0.000 2.079 1070 Q HA -0.108 4.231 4.340 -0.001 0.000 0.200 1070 Q C 2.036 178.261 176.000 0.375 0.000 0.974 1070 Q CA 1.835 57.828 55.803 0.316 0.000 0.840 1070 Q CB -0.025 28.898 28.738 0.310 0.000 0.898 1070 Q HN 0.438 nan 8.270 nan 0.000 0.430 1071 T N 0.696 115.491 114.554 0.401 0.000 2.788 1071 T HA -0.144 4.205 4.350 -0.001 0.000 0.268 1071 T C 1.346 176.186 174.700 0.233 0.000 1.044 1071 T CA 0.957 63.276 62.100 0.366 0.000 1.139 1071 T CB -0.319 68.780 68.868 0.386 0.000 0.867 1071 T HN 0.226 nan 8.240 nan 0.000 0.454 1072 F N 2.251 122.203 119.950 0.004 0.000 2.113 1072 F HA -0.114 4.412 4.527 -0.001 0.000 0.297 1072 F C 2.026 177.696 175.800 -0.218 0.000 1.103 1072 F CA 1.284 59.034 58.000 -0.418 0.000 1.248 1072 F CB -0.136 38.338 39.000 -0.877 0.000 0.999 1072 F HN 0.052 nan 8.300 nan 0.000 0.475 1073 D N -0.778 119.706 120.400 0.140 0.000 2.117 1073 D HA -0.249 4.390 4.640 -0.001 0.000 0.197 1073 D C 1.951 178.274 176.300 0.039 0.000 0.987 1073 D CA 1.472 55.527 54.000 0.092 0.000 0.829 1073 D CB -0.923 39.966 40.800 0.149 0.000 0.961 1073 D HN 0.366 nan 8.370 nan 0.000 0.460 1074 Y N 1.611 121.891 120.300 -0.034 0.000 2.097 1074 Y HA -0.192 4.357 4.550 -0.001 0.000 0.282 1074 Y C 2.284 178.097 175.900 -0.144 0.000 1.152 1074 Y CA 1.402 59.439 58.100 -0.105 0.000 1.136 1074 Y CB -0.571 37.689 38.460 -0.334 0.000 0.975 1074 Y HN -0.096 nan 8.280 nan 0.000 0.498 1075 L N -0.925 120.111 121.223 -0.311 0.000 2.056 1075 L HA -0.196 4.144 4.340 -0.001 0.000 0.207 1075 L C 2.419 179.018 176.870 -0.452 0.000 1.078 1075 L CA 1.062 55.624 54.840 -0.462 0.000 0.749 1075 L CB -0.711 41.091 42.059 -0.429 0.000 0.901 1075 L HN 0.307 nan 8.230 nan 0.000 0.433 1076 L N 0.088 121.024 121.223 -0.478 0.000 2.083 1076 L HA -0.200 4.139 4.340 -0.001 0.000 0.209 1076 L C 2.742 179.457 176.870 -0.258 0.000 1.083 1076 L CA 2.113 56.714 54.840 -0.399 0.000 0.752 1076 L CB -0.503 41.342 42.059 -0.357 0.000 0.899 1076 L HN 0.350 nan 8.230 nan 0.000 0.433 1077 S N -2.598 112.949 115.700 -0.254 0.000 2.515 1077 S HA -0.147 4.323 4.470 -0.001 0.000 0.231 1077 S C 1.398 175.720 174.600 -0.464 0.000 0.987 1077 S CA 0.993 59.014 58.200 -0.297 0.000 0.936 1077 S CB -0.804 62.221 63.200 -0.293 0.000 0.766 1077 S HN 0.673 nan 8.310 nan 0.000 0.528 1078 H N -0.615 118.235 119.070 -0.366 0.000 2.594 1078 H HA 0.436 4.992 4.556 -0.001 0.000 0.279 1078 H C 1.624 176.760 175.328 -0.319 0.000 1.042 1078 H CA 0.226 56.057 56.048 -0.363 0.000 1.177 1078 H CB 0.609 30.049 29.762 -0.538 0.000 1.524 1078 H HN 0.277 nan 8.280 nan 0.000 0.537 1079 V N 0.221 119.992 119.914 -0.239 0.000 2.591 1079 V HA -0.170 3.949 4.120 -0.001 0.000 0.249 1079 V C 1.351 177.220 176.094 -0.375 0.000 1.053 1079 V CA 1.695 63.798 62.300 -0.328 0.000 1.068 1079 V CB -0.119 31.462 31.823 -0.404 0.000 0.689 1079 V HN 0.606 nan 8.190 nan 0.000 0.462 1080 H N -0.574 118.434 119.070 -0.103 0.000 2.529 1080 H HA 0.296 4.851 4.556 -0.001 0.000 0.277 1080 H C 1.276 176.564 175.328 -0.066 0.000 1.004 1080 H CA 0.590 56.595 56.048 -0.072 0.000 1.167 1080 H CB 0.296 30.020 29.762 -0.064 0.000 1.445 1080 H HN 0.464 nan 8.280 nan 0.000 0.554 1081 S N 1.793 117.486 115.700 -0.012 0.000 2.576 1081 S HA 0.068 4.537 4.470 -0.001 0.000 0.276 1081 S C -1.362 173.232 174.600 -0.010 0.000 1.339 1081 S CA -1.140 57.053 58.200 -0.012 0.000 1.039 1081 S CB 1.468 64.657 63.200 -0.018 0.000 0.902 1081 S HN -0.018 nan 8.310 nan 0.000 0.516 1082 P HA -0.014 nan 4.420 nan 0.000 0.222 1082 P C 0.587 177.888 177.300 0.002 0.000 1.147 1082 P CA 0.837 63.942 63.100 0.008 0.000 0.790 1082 P CB 0.012 31.722 31.700 0.018 0.000 0.780 1083 N N -0.574 118.126 118.700 -0.000 0.000 2.463 1083 N HA 0.028 4.768 4.740 -0.001 0.000 0.181 1083 N C 1.577 177.036 175.510 -0.085 0.000 1.078 1083 N CA 0.716 53.764 53.050 -0.003 0.000 0.902 1083 N CB -0.275 38.242 38.487 0.051 0.000 0.970 1083 N HN 0.085 nan 8.380 nan 0.000 0.451 1084 A N 1.813 124.568 122.820 -0.109 0.000 1.986 1084 A HA -0.218 4.101 4.320 -0.001 0.000 0.220 1084 A C 2.126 179.640 177.584 -0.117 0.000 1.171 1084 A CA 1.329 53.270 52.037 -0.161 0.000 0.640 1084 A CB -0.522 18.390 19.000 -0.146 0.000 0.811 1084 A HN 0.318 nan 8.150 nan 0.000 0.451 1085 E N 0.035 120.198 120.200 -0.062 0.000 2.130 1085 E HA -0.247 4.102 4.350 -0.001 0.000 0.196 1085 E C 1.425 178.013 176.600 -0.020 0.000 0.998 1085 E CA 1.501 57.883 56.400 -0.030 0.000 0.806 1085 E CB -0.176 29.511 29.700 -0.022 0.000 0.738 1085 E HN 0.631 nan 8.360 nan 0.000 0.459 1086 N N 0.237 118.921 118.700 -0.027 0.000 2.270 1086 N HA -0.105 4.634 4.740 -0.001 0.000 0.181 1086 N C 1.794 177.296 175.510 -0.014 0.000 1.016 1086 N CA 0.592 53.654 53.050 0.021 0.000 0.870 1086 N CB -0.167 38.385 38.487 0.108 0.000 0.979 1086 N HN 0.153 nan 8.380 nan 0.000 0.431 1087 L N 0.004 121.110 121.223 -0.195 0.000 2.291 1087 L HA 0.116 4.455 4.340 -0.001 0.000 0.214 1087 L C 1.265 178.096 176.870 -0.065 0.000 1.120 1087 L CA 0.848 55.552 54.840 -0.226 0.000 0.799 1087 L CB -0.541 41.224 42.059 -0.491 0.000 0.925 1087 L HN 0.284 nan 8.230 nan 0.000 0.446 1088 G N -0.099 108.677 108.800 -0.040 0.000 2.171 1088 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.238 1088 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.238 1088 G C -0.019 174.885 174.900 0.007 0.000 1.039 1088 G CA 0.013 45.133 45.100 0.034 0.000 0.759 1088 G HN 0.197 nan 8.290 nan 0.000 0.501 1089 L N 0.147 121.342 121.223 -0.047 0.000 2.317 1089 L HA 0.929 5.268 4.340 -0.001 0.000 0.281 1089 L C 0.285 177.158 176.870 0.005 0.000 1.024 1089 L CA -1.105 53.629 54.840 -0.177 0.000 0.810 1089 L CB 1.195 43.086 42.059 -0.279 0.000 1.240 1089 L HN 0.468 nan 8.230 nan 0.000 0.427 1090 F N 2.115 121.951 119.950 -0.190 0.000 2.807 1090 F HA 0.441 4.967 4.527 -0.001 0.000 0.316 1090 F C -1.928 173.780 175.800 -0.153 0.000 1.162 1090 F CA -1.200 56.692 58.000 -0.180 0.000 0.910 1090 F CB 0.817 39.740 39.000 -0.129 0.000 1.314 1090 F HN 0.130 nan 8.300 nan 0.000 0.454 1091 L N 2.192 123.468 121.223 0.088 0.000 2.375 1091 L HA 0.675 5.014 4.340 -0.001 0.000 0.271 1091 L C -0.893 176.083 176.870 0.177 0.000 1.107 1091 L CA -0.851 54.013 54.840 0.040 0.000 0.806 1091 L CB 1.598 43.681 42.059 0.040 0.000 1.146 1091 L HN 0.686 nan 8.230 nan 0.000 0.447 1092 I N 1.293 121.938 120.570 0.124 0.000 2.722 1092 I HA 0.332 4.502 4.170 -0.001 0.000 0.292 1092 I C -0.760 175.448 176.117 0.151 0.000 1.267 1092 I CA 0.236 61.645 61.300 0.183 0.000 1.036 1092 I CB 2.294 40.430 38.000 0.226 0.000 1.281 1092 I HN 0.443 nan 8.210 nan 0.000 0.423 1093 S N 3.756 119.441 115.700 -0.025 0.000 2.664 1093 S HA 1.045 5.514 4.470 -0.001 0.000 0.304 1093 S C -0.257 173.730 174.600 -1.020 0.000 1.099 1093 S CA -0.169 57.809 58.200 -0.370 0.000 1.003 1093 S CB 1.783 64.854 63.200 -0.216 0.000 1.092 1093 S HN 1.127 nan 8.310 nan 0.000 0.525 1094 G N 0.130 107.744 108.800 -1.976 0.000 2.322 1094 G HA2 0.463 4.422 3.960 -0.001 0.000 0.295 1094 G HA3 0.463 4.422 3.960 -0.001 0.000 0.295 1094 G C -2.430 171.358 174.900 -1.853 0.000 1.369 1094 G CA -0.784 42.890 45.100 -2.377 0.000 0.821 1094 G HN 0.472 nan 8.290 nan 0.000 0.536 1095 Y N 0.578 120.440 120.300 -0.730 0.000 2.361 1095 Y HA 0.546 5.095 4.550 -0.001 0.000 0.332 1095 Y C 0.716 176.599 175.900 -0.027 0.000 1.101 1095 Y CA -0.771 57.178 58.100 -0.251 0.000 1.137 1095 Y CB 1.664 39.945 38.460 -0.299 0.000 1.207 1095 Y HN 0.264 nan 8.280 nan 0.000 0.463 1096 N N 3.878 122.672 118.700 0.157 0.000 2.407 1096 N HA 0.478 5.218 4.740 -0.001 0.000 0.277 1096 N C -1.577 173.692 175.510 -0.403 0.000 0.995 1096 N CA -0.473 52.563 53.050 -0.022 0.000 0.903 1096 N CB 1.771 40.364 38.487 0.177 0.000 1.218 1096 N HN 0.500 nan 8.380 nan 0.000 0.487 1097 L N 2.919 123.729 121.223 -0.687 0.000 2.341 1097 L HA 0.620 4.959 4.340 -0.001 0.000 0.278 1097 L C -0.963 175.436 176.870 -0.785 0.000 1.005 1097 L CA -0.706 53.696 54.840 -0.730 0.000 0.818 1097 L CB 1.009 42.421 42.059 -1.077 0.000 1.259 1097 L HN 0.350 nan 8.230 nan 0.000 0.418 1098 F N 0.202 120.137 119.950 -0.025 0.000 2.588 1098 F HA 0.418 4.945 4.527 -0.001 0.000 0.314 1098 F C 1.182 177.056 175.800 0.124 0.000 1.069 1098 F CA -0.762 57.273 58.000 0.058 0.000 0.931 1098 F CB 1.330 40.366 39.000 0.060 0.000 1.260 1098 F HN 0.404 nan 8.300 nan 0.000 0.465 1099 H N -0.266 119.038 119.070 0.390 0.000 2.470 1099 H HA 0.144 4.699 4.556 -0.001 0.000 0.289 1099 H C -0.161 175.263 175.328 0.159 0.000 1.033 1099 H CA 1.000 57.158 56.048 0.185 0.000 1.331 1099 H CB 0.451 30.252 29.762 0.065 0.000 1.414 1099 H HN 0.468 nan 8.280 nan 0.000 0.545 1100 E N -0.233 120.118 120.200 0.251 0.000 2.416 1100 E HA 0.530 4.879 4.350 -0.001 0.000 0.273 1100 E C -0.545 175.967 176.600 -0.147 0.000 0.935 1100 E CA -1.013 55.425 56.400 0.064 0.000 0.784 1100 E CB 2.283 31.996 29.700 0.022 0.000 1.301 1100 E HN 0.083 nan 8.360 nan 0.000 0.454 1101 A N 1.658 124.223 122.820 -0.424 0.000 2.498 1101 A HA 0.444 4.763 4.320 -0.001 0.000 0.239 1101 A C -0.062 177.154 177.584 -0.612 0.000 1.068 1101 A CA 0.310 51.726 52.037 -1.034 0.000 0.766 1101 A CB 0.042 18.549 19.000 -0.821 0.000 1.003 1101 A HN 0.553 nan 8.150 nan 0.000 0.497 1102 I N 1.855 122.056 120.570 -0.615 0.000 2.994 1102 I HA 0.426 4.595 4.170 -0.001 0.000 0.306 1102 I C -2.292 173.764 176.117 -0.102 0.000 1.195 1102 I CA -2.319 58.788 61.300 -0.321 0.000 1.001 1102 I CB 2.670 40.381 38.000 -0.482 0.000 1.244 1102 I HN 0.504 nan 8.210 nan 0.000 0.437 1103 P HA 0.221 nan 4.420 nan 0.000 0.274 1103 P C -1.465 175.839 177.300 0.007 0.000 1.237 1103 P CA -0.327 62.758 63.100 -0.026 0.000 0.793 1103 P CB 0.330 31.988 31.700 -0.070 0.000 0.977 1104 D N 1.911 122.257 120.400 -0.090 0.000 2.472 1104 D HA 0.064 4.704 4.640 -0.001 0.000 0.237 1104 D C -1.807 174.158 176.300 -0.558 0.000 1.141 1104 D CA -0.406 53.373 54.000 -0.370 0.000 0.875 1104 D CB -0.524 40.042 40.800 -0.390 0.000 1.192 1104 D HN 0.298 nan 8.370 nan 0.000 0.450 1105 P HA 0.063 nan 4.420 nan 0.000 0.274 1105 P C 0.301 177.019 177.300 -0.970 0.000 1.237 1105 P CA -0.375 62.083 63.100 -1.071 0.000 0.793 1105 P CB 0.824 31.314 31.700 -2.016 0.000 0.977 1106 S N 0.522 115.839 115.700 -0.638 0.000 2.423 1106 S HA -0.100 4.369 4.470 -0.001 0.000 0.231 1106 S C 1.435 175.844 174.600 -0.318 0.000 1.014 1106 S CA 0.474 58.450 58.200 -0.373 0.000 0.965 1106 S CB -0.920 62.181 63.200 -0.166 0.000 0.785 1106 S HN 0.725 nan 8.310 nan 0.000 0.495 1107 W N 3.255 124.400 121.300 -0.259 0.000 3.345 1107 W HA 0.292 4.951 4.660 -0.002 0.000 0.282 1107 W C 1.150 177.449 176.519 -0.367 0.000 1.302 1107 W CA 0.123 57.339 57.345 -0.216 0.000 1.724 1107 W CB -0.662 28.761 29.460 -0.062 0.000 1.104 1107 W HN 0.442 nan 8.180 nan 0.000 0.694 1108 K N 0.986 120.941 120.400 -0.742 0.000 2.286 1108 K HA -0.222 4.097 4.320 -0.001 0.000 0.203 1108 K C 0.822 177.163 176.600 -0.432 0.000 1.045 1108 K CA 1.989 57.678 56.287 -0.997 0.000 0.935 1108 K CB -0.420 31.179 32.500 -1.502 0.000 0.737 1108 K HN -0.030 nan 8.250 nan 0.000 0.460 1109 D N 0.367 120.606 120.400 -0.268 0.000 2.360 1109 D HA 0.020 4.659 4.640 -0.001 0.000 0.210 1109 D C 1.021 177.233 176.300 -0.147 0.000 1.047 1109 D CA 0.645 54.551 54.000 -0.156 0.000 0.854 1109 D CB 0.548 41.273 40.800 -0.125 0.000 0.936 1109 D HN 0.300 nan 8.370 nan 0.000 0.514 1110 T N 0.449 114.893 114.554 -0.183 0.000 2.937 1110 T HA -0.000 4.349 4.350 -0.001 0.000 0.260 1110 T C 1.412 175.671 174.700 -0.735 0.000 1.051 1110 T CA 0.289 62.162 62.100 -0.378 0.000 1.141 1110 T CB 0.140 68.814 68.868 -0.324 0.000 0.879 1110 T HN 0.049 nan 8.240 nan 0.000 0.459 1111 V N 0.382 119.993 119.914 -0.506 0.000 3.264 1111 V HA 0.460 4.579 4.120 -0.001 0.000 0.304 1111 V C -0.006 176.056 176.094 -0.052 0.000 1.086 1111 V CA -1.357 60.700 62.300 -0.404 0.000 1.090 1111 V CB 0.069 31.848 31.823 -0.073 0.000 1.112 1111 V HN -0.005 nan 8.190 nan 0.000 0.472 1112 L N 3.066 124.382 121.223 0.155 0.000 2.281 1112 L HA 0.635 4.974 4.340 -0.001 0.000 0.285 1112 L C 1.242 178.253 176.870 0.234 0.000 1.074 1112 L CA 1.208 56.162 54.840 0.189 0.000 0.817 1112 L CB -0.198 41.994 42.059 0.222 0.000 1.168 1112 L HN 1.261 nan 8.230 nan 0.000 0.434 1113 G N 3.308 112.221 108.800 0.190 0.000 2.295 1113 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.287 1113 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.287 1113 G C 0.133 175.181 174.900 0.246 0.000 1.055 1113 G CA -0.077 45.140 45.100 0.195 0.000 0.922 1113 G HN 0.504 nan 8.290 nan 0.000 0.503 1114 F N 1.427 121.441 119.950 0.107 0.000 2.578 1114 F HA 0.527 5.053 4.527 -0.001 0.000 0.376 1114 F C 1.091 176.932 175.800 0.068 0.000 1.085 1114 F CA 0.374 58.427 58.000 0.088 0.000 1.260 1114 F CB 0.473 39.424 39.000 -0.082 0.000 1.095 1114 F HN 0.624 nan 8.300 nan 0.000 0.573 1115 R N 3.408 123.528 120.500 -0.634 0.000 2.734 1115 R HA 0.567 4.906 4.340 -0.001 0.000 0.271 1115 R C -1.665 174.361 176.300 -0.457 0.000 1.021 1115 R CA -1.479 54.394 56.100 -0.380 0.000 0.893 1115 R CB 0.985 31.224 30.300 -0.102 0.000 1.244 1115 R HN 0.347 nan 8.270 nan 0.000 0.464 1116 K N 0.936 121.224 120.400 -0.186 0.000 2.154 1116 K HA 0.346 4.665 4.320 -0.001 0.000 0.264 1116 K C -0.149 176.427 176.600 -0.040 0.000 1.008 1116 K CA -0.446 55.801 56.287 -0.067 0.000 0.937 1116 K CB 0.628 33.115 32.500 -0.021 0.000 1.002 1116 K HN 0.361 nan 8.250 nan 0.000 0.469 1117 L N 1.246 122.453 121.223 -0.025 0.000 2.472 1117 L HA 0.190 4.529 4.340 -0.001 0.000 0.260 1117 L C 0.701 177.575 176.870 0.008 0.000 1.209 1117 L CA -0.163 54.694 54.840 0.027 0.000 0.817 1117 L CB 0.513 42.630 42.059 0.097 0.000 1.106 1117 L HN 0.782 nan 8.230 nan 0.000 0.479 1118 T N -2.445 112.120 114.554 0.019 0.000 2.918 1118 T HA 0.360 4.710 4.350 -0.001 0.000 0.286 1118 T C -2.058 172.662 174.700 0.034 0.000 1.026 1118 T CA -2.012 60.097 62.100 0.015 0.000 1.031 1118 T CB 1.855 70.716 68.868 -0.011 0.000 1.046 1118 T HN 0.273 nan 8.240 nan 0.000 0.479 1119 P HA -0.146 nan 4.420 nan 0.000 0.216 1119 P C 1.564 178.880 177.300 0.027 0.000 1.157 1119 P CA 1.281 64.405 63.100 0.041 0.000 0.880 1119 P CB 0.066 31.785 31.700 0.033 0.000 0.791 1120 R N -0.379 120.125 120.500 0.007 0.000 2.105 1120 R HA -0.154 4.185 4.340 -0.001 0.000 0.239 1120 R C 2.280 178.565 176.300 -0.024 0.000 1.135 1120 R CA 1.431 57.522 56.100 -0.014 0.000 0.967 1120 R CB -0.596 29.689 30.300 -0.024 0.000 0.861 1120 R HN 0.363 nan 8.270 nan 0.000 0.442 1121 E N 0.608 120.810 120.200 0.005 0.000 2.072 1121 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 1121 E C 1.966 178.602 176.600 0.060 0.000 0.985 1121 E CA 0.925 57.343 56.400 0.031 0.000 0.801 1121 E CB -0.032 29.743 29.700 0.126 0.000 0.750 1121 E HN 0.270 nan 8.360 nan 0.000 0.452 1122 L N 1.209 122.498 121.223 0.110 0.000 2.191 1122 L HA -0.185 4.155 4.340 -0.001 0.000 0.212 1122 L C 1.676 178.607 176.870 0.102 0.000 1.103 1122 L CA 0.664 55.606 54.840 0.171 0.000 0.769 1122 L CB -0.328 41.821 42.059 0.151 0.000 0.908 1122 L HN 0.089 nan 8.230 nan 0.000 0.438 1123 D N 0.065 120.474 120.400 0.015 0.000 2.263 1123 D HA -0.172 4.467 4.640 -0.001 0.000 0.208 1123 D C 2.204 178.432 176.300 -0.120 0.000 0.971 1123 D CA 1.200 55.183 54.000 -0.029 0.000 0.867 1123 D CB -0.052 40.725 40.800 -0.037 0.000 0.929 1123 D HN 0.404 nan 8.370 nan 0.000 0.492 1124 M N -0.764 118.667 119.600 -0.282 0.000 2.476 1124 M HA -0.030 4.450 4.480 -0.001 0.000 0.262 1124 M C -0.120 175.760 176.300 -0.700 0.000 1.079 1124 M CA 0.724 55.670 55.300 -0.590 0.000 1.104 1124 M CB 0.140 32.162 32.600 -0.964 0.000 1.409 1124 M HN -0.152 nan 8.290 nan 0.000 0.467 1125 F N 0.315 120.247 119.950 -0.030 0.000 2.564 1125 F HA 0.333 4.860 4.527 -0.001 0.000 0.368 1125 F C -1.752 174.105 175.800 0.096 0.000 1.127 1125 F CA -2.581 55.439 58.000 0.033 0.000 1.170 1125 F CB 0.168 39.176 39.000 0.013 0.000 1.397 1125 F HN -0.148 nan 8.300 nan 0.000 0.493 1126 P HA -0.154 nan 4.420 nan 0.000 0.218 1126 P C 0.705 178.070 177.300 0.109 0.000 1.148 1126 P CA 1.404 64.572 63.100 0.113 0.000 0.822 1126 P CB 0.474 32.210 31.700 0.059 0.000 0.784 1127 D N -1.892 118.576 120.400 0.114 0.000 2.363 1127 D HA -0.005 4.634 4.640 -0.001 0.000 0.220 1127 D C 0.144 176.244 176.300 -0.334 0.000 0.994 1127 D CA 0.775 54.714 54.000 -0.102 0.000 0.890 1127 D CB -0.314 40.375 40.800 -0.186 0.000 0.906 1127 D HN 0.283 nan 8.370 nan 0.000 0.530 1128 Y N -1.764 118.613 120.300 0.129 0.000 2.499 1128 Y HA 0.567 5.116 4.550 -0.002 0.000 0.347 1128 Y C 1.271 177.249 175.900 0.130 0.000 0.987 1128 Y CA -1.018 57.127 58.100 0.075 0.000 1.044 1128 Y CB 2.579 40.996 38.460 -0.073 0.000 1.245 1128 Y HN -0.220 nan 8.280 nan 0.000 0.461 1129 G N 0.165 109.143 108.800 0.298 0.000 3.443 1129 G HA2 0.179 4.139 3.960 -0.001 0.000 0.252 1129 G HA3 0.179 4.139 3.960 -0.001 0.000 0.252 1129 G C -1.290 173.809 174.900 0.332 0.000 1.015 1129 G CA 0.152 45.407 45.100 0.258 0.000 0.891 1129 G HN 0.502 nan 8.290 nan 0.000 0.510 1130 Y N -0.536 119.878 120.300 0.190 0.000 2.592 1130 Y HA 0.569 5.119 4.550 -0.000 0.000 0.334 1130 Y C -0.163 175.864 175.900 0.212 0.000 1.136 1130 Y CA -0.135 58.073 58.100 0.180 0.000 1.042 1130 Y CB 1.645 40.194 38.460 0.149 0.000 1.325 1130 Y HN 0.391 nan 8.280 nan 0.000 0.457 1131 G N 1.384 109.951 108.800 -0.389 0.000 2.342 1131 G HA2 0.382 4.342 3.960 -0.001 0.000 0.297 1131 G HA3 0.382 4.342 3.960 -0.001 0.000 0.297 1131 G C -2.369 172.453 174.900 -0.129 0.000 1.313 1131 G CA -0.909 44.086 45.100 -0.175 0.000 0.830 1131 G HN 0.504 nan 8.290 nan 0.000 0.506 1132 W N -0.997 120.369 121.300 0.109 0.000 2.762 1132 W HA 0.828 5.487 4.660 -0.002 0.000 0.355 1132 W C -1.143 175.412 176.519 0.060 0.000 1.124 1132 W CA -1.695 55.651 57.345 0.002 0.000 1.141 1132 W CB 1.504 31.035 29.460 0.119 0.000 1.432 1132 W HN 0.465 nan 8.180 nan 0.000 0.586 1133 F N 2.441 122.402 119.950 0.018 0.000 2.581 1133 F HA 0.483 5.010 4.527 -0.001 0.000 0.311 1133 F C -0.196 175.592 175.800 -0.020 0.000 1.113 1133 F CA -0.330 57.596 58.000 -0.124 0.000 0.935 1133 F CB 1.248 40.116 39.000 -0.219 0.000 1.232 1133 F HN 0.416 nan 8.300 nan 0.000 0.445 1134 H N 1.177 120.062 119.070 -0.308 0.000 2.932 1134 H HA 0.419 4.974 4.556 -0.001 0.000 0.307 1134 H C -1.922 173.368 175.328 -0.063 0.000 1.391 1134 H CA -1.014 55.049 56.048 0.025 0.000 1.130 1134 H CB 1.429 31.392 29.762 0.334 0.000 1.836 1134 H HN 0.416 nan 8.280 nan 0.000 0.522 1135 T N 1.353 116.075 114.554 0.279 0.000 2.779 1135 T HA 0.452 4.801 4.350 -0.001 0.000 0.280 1135 T C -0.060 174.917 174.700 0.461 0.000 0.987 1135 T CA -0.343 61.899 62.100 0.236 0.000 0.966 1135 T CB 1.534 70.526 68.868 0.207 0.000 0.933 1135 T HN 0.625 nan 8.240 nan 0.000 0.442 1136 S N 2.651 118.599 115.700 0.415 0.000 3.081 1136 S HA 0.851 5.321 4.470 -0.001 0.000 0.316 1136 S C -1.511 173.195 174.600 0.176 0.000 1.089 1136 S CA -0.727 57.750 58.200 0.462 0.000 0.897 1136 S CB 0.646 64.183 63.200 0.562 0.000 1.358 1136 S HN 0.557 nan 8.310 nan 0.000 0.678 1137 L N 1.299 122.561 121.223 0.064 0.000 2.354 1137 L HA 0.656 4.995 4.340 -0.001 0.000 0.264 1137 L C -1.171 175.552 176.870 -0.244 0.000 1.008 1137 L CA -0.688 54.028 54.840 -0.206 0.000 0.819 1137 L CB 1.932 43.745 42.059 -0.411 0.000 1.339 1137 L HN 0.562 nan 8.230 nan 0.000 0.420 1138 I N 2.583 122.834 120.570 -0.531 0.000 2.433 1138 I HA 0.326 4.495 4.170 -0.001 0.000 0.292 1138 I C -1.141 174.658 176.117 -0.530 0.000 1.001 1138 I CA -0.615 60.345 61.300 -0.567 0.000 1.119 1138 I CB 2.342 39.834 38.000 -0.846 0.000 1.289 1138 I HN 0.292 nan 8.210 nan 0.000 0.438 1139 L N 7.075 128.097 121.223 -0.335 0.000 2.366 1139 L HA 0.369 4.708 4.340 -0.001 0.000 0.266 1139 L C -0.179 176.574 176.870 -0.194 0.000 1.010 1139 L CA -0.136 54.517 54.840 -0.312 0.000 0.879 1139 L CB 0.753 42.588 42.059 -0.373 0.000 1.228 1139 L HN 0.454 nan 8.230 nan 0.000 0.439 1140 E N 3.067 123.199 120.200 -0.114 0.000 2.328 1140 E HA 0.064 4.413 4.350 -0.001 0.000 0.265 1140 E C 0.983 177.596 176.600 0.021 0.000 1.057 1140 E CA 0.543 56.930 56.400 -0.022 0.000 0.916 1140 E CB 1.008 30.736 29.700 0.047 0.000 0.993 1140 E HN 0.874 nan 8.360 nan 0.000 0.446 1141 G N 4.450 113.262 108.800 0.019 0.000 2.553 1141 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.218 1141 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.218 1141 G C 1.438 176.392 174.900 0.090 0.000 1.195 1141 G CA 1.095 46.230 45.100 0.059 0.000 0.779 1141 G HN 0.489 nan 8.290 nan 0.000 0.577 1142 K N 0.354 120.793 120.400 0.065 0.000 2.044 1142 K HA -0.181 4.138 4.320 -0.001 0.000 0.210 1142 K C 2.515 179.163 176.600 0.080 0.000 1.049 1142 K CA 1.805 58.130 56.287 0.063 0.000 0.927 1142 K CB -0.177 32.352 32.500 0.047 0.000 0.713 1142 K HN 0.323 nan 8.250 nan 0.000 0.443 1143 N N -0.462 118.294 118.700 0.093 0.000 2.142 1143 N HA -0.183 4.556 4.740 -0.001 0.000 0.186 1143 N C 1.511 177.131 175.510 0.183 0.000 1.023 1143 N CA 1.185 54.303 53.050 0.112 0.000 0.852 1143 N CB -0.512 38.029 38.487 0.090 0.000 0.998 1143 N HN 0.236 nan 8.380 nan 0.000 0.424 1144 Y N 0.975 121.296 120.300 0.036 0.000 2.242 1144 Y HA -0.021 4.529 4.550 -0.001 0.000 0.291 1144 Y C 1.780 177.768 175.900 0.147 0.000 1.137 1144 Y CA 0.839 58.978 58.100 0.066 0.000 1.181 1144 Y CB -0.387 38.056 38.460 -0.029 0.000 0.989 1144 Y HN -0.061 nan 8.280 nan 0.000 0.527 1145 L N 0.276 121.532 121.223 0.056 0.000 2.079 1145 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 1145 L C 2.464 179.326 176.870 -0.012 0.000 1.081 1145 L CA 1.876 56.704 54.840 -0.019 0.000 0.752 1145 L CB -1.353 40.727 42.059 0.034 0.000 0.896 1145 L HN 0.285 nan 8.230 nan 0.000 0.433 1146 Q N -1.625 118.199 119.800 0.039 0.000 2.049 1146 Q HA -0.246 4.093 4.340 -0.001 0.000 0.198 1146 Q C 2.153 178.173 176.000 0.034 0.000 0.971 1146 Q CA 1.718 57.532 55.803 0.018 0.000 0.833 1146 Q CB -0.670 28.094 28.738 0.042 0.000 0.896 1146 Q HN 0.490 nan 8.270 nan 0.000 0.434 1147 W N 0.314 121.565 121.300 -0.083 0.000 2.335 1147 W HA -0.176 4.483 4.660 -0.001 0.000 0.311 1147 W C 1.582 178.022 176.519 -0.131 0.000 1.213 1147 W CA 1.805 59.100 57.345 -0.082 0.000 1.274 1147 W CB -0.328 29.115 29.460 -0.027 0.000 1.148 1147 W HN 0.225 nan 8.180 nan 0.000 0.498 1148 L N -0.358 120.836 121.223 -0.049 0.000 2.083 1148 L HA -0.251 4.088 4.340 -0.001 0.000 0.209 1148 L C 2.449 179.199 176.870 -0.200 0.000 1.083 1148 L CA 1.826 56.539 54.840 -0.211 0.000 0.752 1148 L CB -1.243 40.695 42.059 -0.201 0.000 0.899 1148 L HN -0.072 nan 8.230 nan 0.000 0.433 1149 T N -0.782 113.675 114.554 -0.163 0.000 2.746 1149 T HA -0.195 4.154 4.350 -0.001 0.000 0.267 1149 T C 1.728 176.278 174.700 -0.251 0.000 1.039 1149 T CA 1.437 63.405 62.100 -0.220 0.000 1.142 1149 T CB -0.141 68.544 68.868 -0.304 0.000 0.866 1149 T HN 0.407 nan 8.240 nan 0.000 0.444 1150 E N 0.430 120.468 120.200 -0.270 0.000 2.072 1150 E HA -0.089 4.260 4.350 -0.001 0.000 0.191 1150 E C 2.558 178.968 176.600 -0.317 0.000 0.985 1150 E CA 0.738 56.975 56.400 -0.272 0.000 0.801 1150 E CB -0.058 29.490 29.700 -0.254 0.000 0.750 1150 E HN 0.123 nan 8.360 nan 0.000 0.452 1151 R N 0.514 120.728 120.500 -0.476 0.000 2.070 1151 R HA -0.124 4.216 4.340 -0.001 0.000 0.233 1151 R C 2.120 178.245 176.300 -0.292 0.000 1.137 1151 R CA 0.933 56.744 56.100 -0.481 0.000 0.945 1151 R CB -0.574 29.267 30.300 -0.766 0.000 0.845 1151 R HN 0.095 nan 8.270 nan 0.000 0.430 1152 L N 0.027 121.124 121.223 -0.211 0.000 2.083 1152 L HA -0.127 4.213 4.340 -0.001 0.000 0.209 1152 L C 1.977 178.808 176.870 -0.065 0.000 1.083 1152 L CA 1.923 56.692 54.840 -0.118 0.000 0.752 1152 L CB -1.107 41.004 42.059 0.087 0.000 0.899 1152 L HN 0.254 nan 8.230 nan 0.000 0.433 1153 T N -0.399 114.135 114.554 -0.033 0.000 2.777 1153 T HA -0.174 4.175 4.350 -0.001 0.000 0.266 1153 T C 1.569 176.222 174.700 -0.078 0.000 1.040 1153 T CA 1.402 63.488 62.100 -0.023 0.000 1.141 1153 T CB -0.115 68.696 68.868 -0.096 0.000 0.868 1153 T HN 0.592 nan 8.240 nan 0.000 0.444 1154 E N 1.096 121.225 120.200 -0.118 0.000 2.418 1154 E HA -0.067 4.282 4.350 -0.001 0.000 0.197 1154 E C 1.724 178.261 176.600 -0.105 0.000 1.026 1154 E CA 0.596 56.935 56.400 -0.103 0.000 0.862 1154 E CB -0.155 29.479 29.700 -0.109 0.000 0.799 1154 E HN 0.340 nan 8.360 nan 0.000 0.518 1155 R N 0.185 120.582 120.500 -0.171 0.000 2.334 1155 R HA 0.121 4.461 4.340 -0.001 0.000 0.220 1155 R C 0.853 177.038 176.300 -0.191 0.000 0.917 1155 R CA 0.458 56.404 56.100 -0.257 0.000 1.073 1155 R CB 0.358 30.287 30.300 -0.618 0.000 1.056 1155 R HN 0.347 nan 8.270 nan 0.000 0.506 1156 G N 0.917 109.656 108.800 -0.101 0.000 2.198 1156 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.260 1156 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.260 1156 G C 0.087 174.952 174.900 -0.059 0.000 1.025 1156 G CA 0.130 45.201 45.100 -0.048 0.000 0.769 1156 G HN 0.164 nan 8.290 nan 0.000 0.507 1157 V N 0.298 120.151 119.914 -0.101 0.000 2.530 1157 V HA 0.366 4.485 4.120 -0.001 0.000 0.282 1157 V C 0.787 176.809 176.094 -0.121 0.000 1.048 1157 V CA 0.022 62.234 62.300 -0.148 0.000 0.997 1157 V CB 1.450 33.131 31.823 -0.236 0.000 0.987 1157 V HN 0.348 nan 8.190 nan 0.000 0.477 1158 K N 4.286 124.582 120.400 -0.173 0.000 2.138 1158 K HA 0.590 4.910 4.320 -0.001 0.000 0.263 1158 K C -1.220 175.162 176.600 -0.363 0.000 0.965 1158 K CA -0.284 55.903 56.287 -0.167 0.000 0.868 1158 K CB 1.551 34.000 32.500 -0.085 0.000 1.083 1158 K HN 0.443 nan 8.250 nan 0.000 0.443 1159 F N 2.425 122.140 119.950 -0.393 0.000 2.458 1159 F HA 0.457 4.984 4.527 -0.001 0.000 0.336 1159 F C -0.411 175.100 175.800 -0.482 0.000 1.114 1159 F CA -0.706 57.153 58.000 -0.235 0.000 0.987 1159 F CB 0.973 39.828 39.000 -0.242 0.000 1.130 1159 F HN 0.315 nan 8.300 nan 0.000 0.458 1160 F N 1.667 121.848 119.950 0.385 0.000 2.556 1160 F HA 0.331 4.857 4.527 -0.001 0.000 0.314 1160 F C -0.231 175.784 175.800 0.357 0.000 1.106 1160 F CA -0.941 57.224 58.000 0.274 0.000 0.911 1160 F CB 1.774 40.902 39.000 0.213 0.000 1.190 1160 F HN 0.289 nan 8.300 nan 0.000 0.448 1161 Q N 5.379 125.418 119.800 0.398 0.000 2.349 1161 Q HA 0.493 4.832 4.340 -0.001 0.000 0.254 1161 Q C -0.853 175.256 176.000 0.182 0.000 0.980 1161 Q CA -0.351 55.703 55.803 0.419 0.000 0.924 1161 Q CB 1.013 29.942 28.738 0.318 0.000 1.209 1161 Q HN 0.972 nan 8.270 nan 0.000 0.445 1162 R N 1.775 122.336 120.500 0.101 0.000 2.664 1162 R HA 0.372 4.711 4.340 -0.001 0.000 0.260 1162 R C -1.649 174.615 176.300 -0.061 0.000 1.062 1162 R CA -0.949 55.128 56.100 -0.038 0.000 0.902 1162 R CB 1.013 31.206 30.300 -0.179 0.000 1.258 1162 R HN 0.241 nan 8.270 nan 0.000 0.465 1163 K N 2.402 122.752 120.400 -0.083 0.000 2.248 1163 K HA 0.278 4.597 4.320 -0.001 0.000 0.281 1163 K C -0.727 175.819 176.600 -0.091 0.000 1.054 1163 K CA -0.610 55.620 56.287 -0.095 0.000 0.903 1163 K CB 1.564 33.999 32.500 -0.107 0.000 1.077 1163 K HN 0.443 nan 8.250 nan 0.000 0.474 1164 V N 5.382 125.254 119.914 -0.070 0.000 2.488 1164 V HA 0.019 4.138 4.120 -0.001 0.000 0.277 1164 V C 1.103 177.140 176.094 -0.096 0.000 1.046 1164 V CA -0.017 62.248 62.300 -0.058 0.000 0.986 1164 V CB 1.232 33.055 31.823 0.001 0.000 0.989 1164 V HN 0.871 nan 8.190 nan 0.000 0.475 1165 E N 2.915 123.059 120.200 -0.093 0.000 2.122 1165 E HA 0.046 4.395 4.350 -0.001 0.000 0.190 1165 E C 0.694 177.211 176.600 -0.140 0.000 0.977 1165 E CA 0.881 57.219 56.400 -0.104 0.000 0.820 1165 E CB 0.408 30.062 29.700 -0.077 0.000 0.770 1165 E HN 0.772 nan 8.360 nan 0.000 0.462 1166 S N -1.312 114.305 115.700 -0.139 0.000 2.588 1166 S HA 0.311 4.780 4.470 -0.001 0.000 0.269 1166 S C 0.184 174.709 174.600 -0.125 0.000 1.157 1166 S CA -0.760 57.323 58.200 -0.195 0.000 0.824 1166 S CB 0.168 63.318 63.200 -0.083 0.000 1.126 1166 S HN -0.105 nan 8.310 nan 0.000 0.464 1167 F N 2.070 122.045 119.950 0.041 0.000 2.134 1167 F HA 0.003 4.529 4.527 -0.002 0.000 0.299 1167 F C 2.723 178.541 175.800 0.031 0.000 1.097 1167 F CA 1.616 59.642 58.000 0.042 0.000 1.264 1167 F CB -0.612 38.416 39.000 0.047 0.000 1.001 1167 F HN 0.729 nan 8.300 nan 0.000 0.479 1168 E N 0.739 121.061 120.200 0.203 0.000 2.085 1168 E HA -0.285 4.064 4.350 -0.001 0.000 0.194 1168 E C 1.973 178.619 176.600 0.077 0.000 0.994 1168 E CA 1.344 57.813 56.400 0.115 0.000 0.801 1168 E CB -1.094 28.655 29.700 0.081 0.000 0.743 1168 E HN 0.595 nan 8.360 nan 0.000 0.453 1169 E N 1.046 121.280 120.200 0.056 0.000 2.136 1169 E HA -0.206 4.143 4.350 -0.001 0.000 0.202 1169 E C 2.117 178.752 176.600 0.058 0.000 1.019 1169 E CA 1.938 58.358 56.400 0.034 0.000 0.819 1169 E CB 0.151 29.856 29.700 0.007 0.000 0.739 1169 E HN 0.157 nan 8.360 nan 0.000 0.458 1170 V N 0.501 120.475 119.914 0.101 0.000 2.446 1170 V HA -0.103 4.016 4.120 -0.001 0.000 0.244 1170 V C 2.348 178.495 176.094 0.089 0.000 1.039 1170 V CA 1.396 63.774 62.300 0.129 0.000 1.045 1170 V CB -0.382 31.549 31.823 0.181 0.000 0.681 1170 V HN 0.421 nan 8.190 nan 0.000 0.459 1171 A N 0.436 123.308 122.820 0.086 0.000 1.902 1171 A HA -0.248 4.071 4.320 -0.001 0.000 0.217 1171 A C 2.374 179.980 177.584 0.036 0.000 1.181 1171 A CA 1.991 54.060 52.037 0.053 0.000 0.623 1171 A CB -0.599 18.434 19.000 0.055 0.000 0.818 1171 A HN 0.469 nan 8.150 nan 0.000 0.443 1172 R N 0.573 121.096 120.500 0.038 0.000 2.139 1172 R HA -0.206 4.133 4.340 -0.001 0.000 0.243 1172 R C 1.751 178.061 176.300 0.017 0.000 1.145 1172 R CA 1.917 58.031 56.100 0.023 0.000 0.976 1172 R CB -0.237 30.076 30.300 0.021 0.000 0.866 1172 R HN 0.810 nan 8.270 nan 0.000 0.449 1173 E N -1.935 118.278 120.200 0.023 0.000 2.479 1173 E HA 0.124 4.474 4.350 -0.001 0.000 0.193 1173 E C 0.726 177.334 176.600 0.013 0.000 1.049 1173 E CA 0.447 56.856 56.400 0.015 0.000 0.870 1173 E CB 0.846 30.556 29.700 0.015 0.000 0.944 1173 E HN 0.415 nan 8.360 nan 0.000 0.492 1174 G N 0.304 109.112 108.800 0.014 0.000 2.273 1174 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.162 1174 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.162 1174 G C 0.287 175.189 174.900 0.003 0.000 1.006 1174 G CA -0.341 44.763 45.100 0.006 0.000 0.704 1174 G HN 0.554 nan 8.290 nan 0.000 0.487 1175 A N 0.548 123.371 122.820 0.006 0.000 2.440 1175 A HA 0.567 4.886 4.320 -0.001 0.000 0.251 1175 A C 1.047 178.627 177.584 -0.007 0.000 1.089 1175 A CA 0.776 52.811 52.037 -0.003 0.000 0.779 1175 A CB 0.343 19.341 19.000 -0.004 0.000 1.022 1175 A HN 0.177 nan 8.150 nan 0.000 0.492 1176 D N 0.836 121.230 120.400 -0.010 0.000 2.277 1176 D HA 0.106 4.746 4.640 -0.001 0.000 0.209 1176 D C 0.055 176.333 176.300 -0.037 0.000 0.970 1176 D CA 1.193 55.177 54.000 -0.027 0.000 0.874 1176 D CB 0.360 41.142 40.800 -0.030 0.000 0.982 1176 D HN 0.275 nan 8.370 nan 0.000 0.504 1177 V N 1.505 121.414 119.914 -0.007 0.000 2.709 1177 V HA 0.410 4.530 4.120 -0.001 0.000 0.308 1177 V C -0.389 175.704 176.094 -0.001 0.000 1.062 1177 V CA -0.756 61.544 62.300 0.000 0.000 0.901 1177 V CB 2.713 34.593 31.823 0.095 0.000 1.003 1177 V HN -0.106 nan 8.190 nan 0.000 0.425 1178 I N 3.780 124.328 120.570 -0.037 0.000 2.418 1178 I HA 0.479 4.648 4.170 -0.001 0.000 0.287 1178 I C -0.645 175.447 176.117 -0.042 0.000 1.008 1178 I CA -0.827 60.456 61.300 -0.029 0.000 1.104 1178 I CB 2.103 40.095 38.000 -0.013 0.000 1.264 1178 I HN 0.279 nan 8.210 nan 0.000 0.438 1179 V N 4.993 124.904 119.914 -0.005 0.000 2.333 1179 V HA 0.247 4.367 4.120 -0.001 0.000 0.274 1179 V C 0.020 176.158 176.094 0.074 0.000 1.028 1179 V CA -0.638 61.668 62.300 0.009 0.000 0.851 1179 V CB 1.175 32.999 31.823 0.002 0.000 1.000 1179 V HN 0.671 nan 8.190 nan 0.000 0.456 1180 N N 4.100 122.871 118.700 0.118 0.000 2.437 1180 N HA 0.231 4.971 4.740 -0.001 0.000 0.243 1180 N C -0.426 175.273 175.510 0.314 0.000 1.041 1180 N CA -0.247 52.972 53.050 0.281 0.000 0.940 1180 N CB 0.574 39.348 38.487 0.479 0.000 1.133 1180 N HN 0.670 nan 8.380 nan 0.000 0.506 1181 C N 2.784 122.227 119.300 0.239 0.000 3.163 1181 C HA 0.246 4.705 4.460 -0.001 0.000 0.228 1181 C C 1.458 176.577 174.990 0.214 0.000 1.593 1181 C CA -0.603 58.557 59.018 0.237 0.000 1.489 1181 C CB -1.334 26.497 27.740 0.152 0.000 2.294 1181 C HN 0.810 nan 8.230 nan 0.000 0.508 1182 T N -2.160 112.523 114.554 0.214 0.000 3.144 1182 T HA 0.427 4.777 4.350 -0.001 0.000 0.249 1182 T C 1.374 176.245 174.700 0.286 0.000 1.089 1182 T CA 0.743 62.963 62.100 0.201 0.000 0.989 1182 T CB 0.250 69.197 68.868 0.131 0.000 0.992 1182 T HN 1.004 nan 8.240 nan 0.000 0.540 1183 G N 1.457 110.402 108.800 0.241 0.000 2.583 1183 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.292 1183 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.292 1183 G C 0.905 175.828 174.900 0.039 0.000 1.203 1183 G CA 0.270 45.487 45.100 0.196 0.000 0.987 1183 G HN 0.674 nan 8.290 nan 0.000 0.554 1184 V N 0.793 120.594 119.914 -0.188 0.000 2.759 1184 V HA 0.014 4.133 4.120 -0.001 0.000 0.256 1184 V C 2.090 178.040 176.094 -0.239 0.000 1.080 1184 V CA 2.456 64.526 62.300 -0.383 0.000 1.101 1184 V CB -0.449 30.922 31.823 -0.752 0.000 0.698 1184 V HN 0.589 nan 8.190 nan 0.000 0.477 1185 W N -0.653 120.716 121.300 0.115 0.000 3.180 1185 W HA 0.262 4.922 4.660 -0.000 0.000 0.254 1185 W C 2.248 178.723 176.519 -0.072 0.000 1.318 1185 W CA 0.361 57.745 57.345 0.066 0.000 1.608 1185 W CB -0.773 28.708 29.460 0.035 0.000 1.124 1185 W HN 0.433 nan 8.180 nan 0.000 0.694 1186 A N 1.254 124.046 122.820 -0.046 0.000 1.917 1186 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 1186 A C 2.397 179.875 177.584 -0.176 0.000 1.182 1186 A CA 2.255 54.112 52.037 -0.299 0.000 0.633 1186 A CB -1.327 16.980 19.000 -1.155 0.000 0.819 1186 A HN 0.280 nan 8.150 nan 0.000 0.448 1187 G N -0.514 108.230 108.800 -0.093 0.000 2.517 1187 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.222 1187 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.222 1187 G C 1.560 176.438 174.900 -0.037 0.000 1.109 1187 G CA 1.403 46.487 45.100 -0.027 0.000 0.746 1187 G HN 0.958 nan 8.290 nan 0.000 0.576 1188 A N -0.284 122.513 122.820 -0.039 0.000 2.172 1188 A HA 0.319 4.638 4.320 -0.001 0.000 0.216 1188 A C 2.155 179.669 177.584 -0.117 0.000 1.154 1188 A CA 0.825 52.821 52.037 -0.069 0.000 0.701 1188 A CB -0.119 18.852 19.000 -0.048 0.000 0.789 1188 A HN 0.403 nan 8.150 nan 0.000 0.465 1189 L N -2.275 118.858 121.223 -0.150 0.000 2.701 1189 L HA 0.273 4.612 4.340 -0.001 0.000 0.238 1189 L C 0.632 177.403 176.870 -0.165 0.000 1.106 1189 L CA 0.118 54.769 54.840 -0.316 0.000 0.898 1189 L CB 0.442 42.151 42.059 -0.584 0.000 1.188 1189 L HN 0.527 nan 8.230 nan 0.000 0.508 1190 Q N 0.360 120.156 119.800 -0.007 0.000 2.443 1190 Q HA 0.220 4.559 4.340 -0.001 0.000 0.258 1190 Q C -1.039 174.997 176.000 0.060 0.000 0.967 1190 Q CA -0.667 55.197 55.803 0.102 0.000 0.951 1190 Q CB 1.513 30.416 28.738 0.275 0.000 1.459 1190 Q HN 0.046 nan 8.270 nan 0.000 0.415 1191 R N 2.460 122.994 120.500 0.056 0.000 2.488 1191 R HA -0.017 4.322 4.340 -0.001 0.000 0.317 1191 R C -0.852 175.488 176.300 0.066 0.000 0.941 1191 R CA 0.752 56.881 56.100 0.048 0.000 1.076 1191 R CB 0.172 30.498 30.300 0.043 0.000 0.917 1191 R HN 0.437 nan 8.270 nan 0.000 0.407 1192 D N 4.732 125.174 120.400 0.069 0.000 2.346 1192 D HA 0.177 4.816 4.640 -0.001 0.000 0.255 1192 D C -1.660 174.695 176.300 0.092 0.000 1.276 1192 D CA -1.957 52.102 54.000 0.098 0.000 0.941 1192 D CB 1.437 42.336 40.800 0.165 0.000 1.199 1192 D HN 0.216 nan 8.370 nan 0.000 0.537 1193 P HA -0.016 nan 4.420 nan 0.000 0.229 1193 P C 1.606 178.951 177.300 0.075 0.000 1.160 1193 P CA 0.190 63.333 63.100 0.070 0.000 0.777 1193 P CB 0.686 32.420 31.700 0.056 0.000 0.814 1194 L N -1.409 119.862 121.223 0.080 0.000 2.291 1194 L HA -0.008 4.331 4.340 -0.001 0.000 0.214 1194 L C 1.311 178.237 176.870 0.093 0.000 1.120 1194 L CA 0.177 55.065 54.840 0.079 0.000 0.799 1194 L CB -0.469 41.633 42.059 0.072 0.000 0.925 1194 L HN 0.057 nan 8.230 nan 0.000 0.446 1195 L N 0.649 121.940 121.223 0.113 0.000 2.290 1195 L HA 0.272 4.611 4.340 -0.001 0.000 0.284 1195 L C -0.355 176.556 176.870 0.069 0.000 1.078 1195 L CA 0.558 55.466 54.840 0.114 0.000 0.815 1195 L CB 0.906 43.062 42.059 0.161 0.000 1.162 1195 L HN 0.066 nan 8.230 nan 0.000 0.435 1196 Q N 5.948 125.752 119.800 0.007 0.000 2.379 1196 Q HA 0.507 4.847 4.340 -0.001 0.000 0.278 1196 Q C -2.624 173.214 176.000 -0.271 0.000 1.068 1196 Q CA -1.963 53.789 55.803 -0.085 0.000 0.816 1196 Q CB 2.941 31.666 28.738 -0.021 0.000 1.387 1196 Q HN 0.422 nan 8.270 nan 0.000 0.413 1197 P HA 0.107 nan 4.420 nan 0.000 0.281 1197 P C -0.585 176.451 177.300 -0.440 0.000 1.252 1197 P CA -0.071 62.593 63.100 -0.728 0.000 0.778 1197 P CB 0.766 31.563 31.700 -1.505 0.000 0.895 1198 G N 3.765 112.313 108.800 -0.420 0.000 3.288 1198 G HA2 0.206 4.165 3.960 -0.001 0.000 0.337 1198 G HA3 0.206 4.165 3.960 -0.001 0.000 0.337 1198 G C 0.157 174.705 174.900 -0.587 0.000 1.142 1198 G CA -0.570 44.091 45.100 -0.733 0.000 1.304 1198 G HN 0.472 nan 8.290 nan 0.000 0.475 1199 R N 1.437 121.753 120.500 -0.307 0.000 2.585 1199 R HA 0.383 4.723 4.340 -0.001 0.000 0.275 1199 R C 0.163 176.325 176.300 -0.230 0.000 1.018 1199 R CA 0.449 56.453 56.100 -0.160 0.000 1.072 1199 R CB 0.459 30.765 30.300 0.011 0.000 0.953 1199 R HN 0.420 nan 8.270 nan 0.000 0.419 1200 G N 2.553 111.213 108.800 -0.232 0.000 2.667 1200 G HA2 0.276 4.235 3.960 -0.001 0.000 0.298 1200 G HA3 0.276 4.235 3.960 -0.001 0.000 0.298 1200 G C -1.840 172.986 174.900 -0.124 0.000 1.377 1200 G CA -0.555 44.469 45.100 -0.126 0.000 0.964 1200 G HN 0.587 nan 8.290 nan 0.000 0.493 1201 Q N 0.273 120.038 119.800 -0.060 0.000 2.340 1201 Q HA 0.672 5.012 4.340 -0.001 0.000 0.268 1201 Q C -0.990 174.983 176.000 -0.045 0.000 1.031 1201 Q CA -0.830 54.941 55.803 -0.054 0.000 0.804 1201 Q CB 1.961 30.684 28.738 -0.026 0.000 1.286 1201 Q HN 0.707 nan 8.270 nan 0.000 0.448 1202 I N -0.172 120.375 120.570 -0.037 0.000 2.934 1202 I HA 0.633 4.803 4.170 -0.001 0.000 0.306 1202 I C -1.269 174.837 176.117 -0.020 0.000 1.110 1202 I CA -1.041 60.236 61.300 -0.038 0.000 1.019 1202 I CB 2.213 40.212 38.000 -0.001 0.000 1.227 1202 I HN 0.682 nan 8.210 nan 0.000 0.434 1203 M N 3.174 122.760 119.600 -0.023 0.000 2.383 1203 M HA 0.537 5.017 4.480 -0.001 0.000 0.325 1203 M C -1.176 175.134 176.300 0.016 0.000 1.092 1203 M CA -0.683 54.618 55.300 0.001 0.000 0.961 1203 M CB 1.453 34.051 32.600 -0.004 0.000 1.672 1203 M HN 0.480 nan 8.290 nan 0.000 0.438 1204 K N 3.230 123.644 120.400 0.023 0.000 2.211 1204 K HA 0.568 4.888 4.320 -0.001 0.000 0.275 1204 K C -1.279 175.340 176.600 0.032 0.000 1.024 1204 K CA -0.351 55.950 56.287 0.023 0.000 0.887 1204 K CB 1.765 34.276 32.500 0.018 0.000 1.084 1204 K HN 0.554 nan 8.250 nan 0.000 0.463 1205 V N 1.367 121.297 119.914 0.028 0.000 3.074 1205 V HA 0.264 4.383 4.120 -0.001 0.000 0.314 1205 V C -1.269 174.817 176.094 -0.013 0.000 1.117 1205 V CA -0.829 61.496 62.300 0.041 0.000 1.014 1205 V CB 2.487 34.366 31.823 0.094 0.000 1.057 1205 V HN 0.717 nan 8.190 nan 0.000 0.438 1206 D N 3.159 123.552 120.400 -0.012 0.000 2.460 1206 D HA 0.679 5.318 4.640 -0.001 0.000 0.232 1206 D C -0.372 175.824 176.300 -0.173 0.000 1.079 1206 D CA 0.065 54.031 54.000 -0.058 0.000 0.864 1206 D CB 1.148 41.950 40.800 0.003 0.000 1.048 1206 D HN 0.777 nan 8.370 nan 0.000 0.523 1207 A N 4.758 127.336 122.820 -0.402 0.000 3.300 1207 A HA 0.414 4.734 4.320 -0.001 0.000 0.300 1207 A C -2.104 174.916 177.584 -0.939 0.000 1.099 1207 A CA -0.901 50.476 52.037 -1.100 0.000 0.846 1207 A CB 0.968 19.317 19.000 -1.084 0.000 1.255 1207 A HN 0.371 nan 8.150 nan 0.000 0.519 1208 P HA -0.139 nan 4.420 nan 0.000 0.222 1208 P C 1.153 178.375 177.300 -0.130 0.000 1.147 1208 P CA 1.214 64.198 63.100 -0.193 0.000 0.790 1208 P CB -0.128 31.570 31.700 -0.003 0.000 0.780 1209 W N -2.454 118.861 121.300 0.024 0.000 2.800 1209 W HA 0.198 4.857 4.660 -0.001 0.000 0.249 1209 W C 0.290 176.834 176.519 0.042 0.000 1.294 1209 W CA -0.025 57.336 57.345 0.026 0.000 1.402 1209 W CB -1.254 28.223 29.460 0.029 0.000 1.126 1209 W HN -0.266 nan 8.180 nan 0.000 0.652 1210 M N 2.825 122.223 119.600 -0.337 0.000 2.194 1210 M HA 0.101 4.580 4.480 -0.001 0.000 0.347 1210 M C 0.614 176.897 176.300 -0.029 0.000 1.439 1210 M CA 0.459 55.700 55.300 -0.099 0.000 1.131 1210 M CB 0.994 33.483 32.600 -0.185 0.000 1.733 1210 M HN 0.024 nan 8.290 nan 0.000 0.467 1211 K N 1.926 122.337 120.400 0.018 0.000 2.373 1211 K HA 0.194 4.513 4.320 -0.001 0.000 0.200 1211 K C -0.067 176.380 176.600 -0.255 0.000 1.054 1211 K CA 0.374 56.583 56.287 -0.130 0.000 1.065 1211 K CB 0.415 32.792 32.500 -0.205 0.000 0.886 1211 K HN 0.643 nan 8.250 nan 0.000 0.546 1212 H N -0.332 118.791 119.070 0.088 0.000 2.679 1212 H HA 0.361 4.917 4.556 -0.001 0.000 0.367 1212 H C -0.319 175.040 175.328 0.051 0.000 1.162 1212 H CA -1.077 54.969 56.048 -0.004 0.000 1.181 1212 H CB 1.085 30.883 29.762 0.060 0.000 1.693 1212 H HN -0.096 nan 8.280 nan 0.000 0.538 1213 F N 0.085 120.128 119.950 0.156 0.000 2.370 1213 F HA 0.614 5.140 4.527 -0.001 0.000 0.324 1213 F C -0.679 175.209 175.800 0.147 0.000 1.116 1213 F CA -1.063 57.001 58.000 0.105 0.000 1.123 1213 F CB 0.399 39.413 39.000 0.024 0.000 1.238 1213 F HN 0.266 nan 8.300 nan 0.000 0.536 1214 I N 3.872 124.665 120.570 0.370 0.000 2.497 1214 I HA 0.290 4.459 4.170 -0.001 0.000 0.284 1214 I C -1.213 174.991 176.117 0.146 0.000 1.060 1214 I CA -0.473 60.942 61.300 0.192 0.000 1.071 1214 I CB 1.652 39.660 38.000 0.014 0.000 1.216 1214 I HN 0.523 nan 8.210 nan 0.000 0.442 1215 L N 5.733 127.028 121.223 0.120 0.000 2.307 1215 L HA 0.605 4.944 4.340 -0.001 0.000 0.284 1215 L C 0.321 176.974 176.870 -0.361 0.000 1.023 1215 L CA -0.536 54.273 54.840 -0.052 0.000 0.810 1215 L CB 1.948 44.016 42.059 0.015 0.000 1.231 1215 L HN 0.590 nan 8.230 nan 0.000 0.423 1216 T N -1.694 112.579 114.554 -0.468 0.000 2.918 1216 T HA 0.566 4.916 4.350 -0.001 0.000 0.286 1216 T C -0.475 173.807 174.700 -0.698 0.000 1.026 1216 T CA -0.743 60.977 62.100 -0.632 0.000 1.031 1216 T CB 1.687 70.226 68.868 -0.548 0.000 1.046 1216 T HN 0.475 nan 8.240 nan 0.000 0.479 1217 H N 1.225 120.084 119.070 -0.353 0.000 2.806 1217 H HA 0.564 5.119 4.556 -0.001 0.000 0.367 1217 H C -1.418 173.911 175.328 0.001 0.000 1.136 1217 H CA -0.638 55.298 56.048 -0.186 0.000 1.178 1217 H CB 2.336 31.929 29.762 -0.283 0.000 1.718 1217 H HN 0.752 nan 8.280 nan 0.000 0.540 1218 D N 3.251 123.765 120.400 0.190 0.000 2.613 1218 D HA 0.174 4.813 4.640 -0.001 0.000 0.230 1218 D C -2.240 174.148 176.300 0.145 0.000 1.365 1218 D CA -1.713 52.427 54.000 0.232 0.000 0.976 1218 D CB 2.548 43.488 40.800 0.234 0.000 1.415 1218 D HN 0.131 nan 8.370 nan 0.000 0.589 1219 P HA -0.046 nan 4.420 nan 0.000 0.218 1219 P C 0.990 178.310 177.300 0.034 0.000 1.149 1219 P CA 0.661 63.799 63.100 0.064 0.000 0.817 1219 P CB 0.661 32.397 31.700 0.060 0.000 0.785 1220 E N -0.460 119.767 120.200 0.045 0.000 2.160 1220 E HA -0.127 4.222 4.350 -0.001 0.000 0.195 1220 E C 1.965 178.578 176.600 0.021 0.000 0.991 1220 E CA 1.115 57.529 56.400 0.024 0.000 0.810 1220 E CB -0.339 29.371 29.700 0.017 0.000 0.742 1220 E HN 0.208 nan 8.360 nan 0.000 0.466 1221 R N -1.403 119.117 120.500 0.033 0.000 2.282 1221 R HA 0.283 4.623 4.340 -0.001 0.000 0.195 1221 R C 0.547 176.845 176.300 -0.004 0.000 0.909 1221 R CA 0.570 56.687 56.100 0.029 0.000 1.039 1221 R CB 0.760 31.092 30.300 0.052 0.000 1.015 1221 R HN 0.173 nan 8.270 nan 0.000 0.513 1222 G N 1.789 110.569 108.800 -0.033 0.000 2.707 1222 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.686 1222 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.686 1222 G C -0.503 174.285 174.900 -0.188 0.000 1.315 1222 G CA -0.604 44.420 45.100 -0.126 0.000 0.832 1222 G HN 0.150 nan 8.290 nan 0.000 0.573 1223 I N 0.567 120.919 120.570 -0.364 0.000 2.919 1223 I HA 0.235 4.404 4.170 -0.001 0.000 0.303 1223 I C 1.263 177.196 176.117 -0.308 0.000 1.221 1223 I CA 0.682 61.688 61.300 -0.491 0.000 1.444 1223 I CB -0.555 36.981 38.000 -0.775 0.000 1.331 1223 I HN 1.175 nan 8.210 nan 0.000 0.572 1224 Y N 3.653 123.967 120.300 0.023 0.000 3.617 1224 Y HA -0.274 4.276 4.550 -0.000 0.000 0.215 1224 Y C 1.064 177.108 175.900 0.239 0.000 1.178 1224 Y CA 1.063 59.271 58.100 0.179 0.000 1.517 1224 Y CB -2.391 36.243 38.460 0.290 0.000 1.457 1224 Y HN 0.741 nan 8.280 nan 0.000 0.615 1225 N N -0.382 118.451 118.700 0.221 0.000 2.291 1225 N HA 0.248 4.988 4.740 -0.001 0.000 0.244 1225 N C -0.529 175.051 175.510 0.117 0.000 1.216 1225 N CA 0.577 53.734 53.050 0.179 0.000 0.879 1225 N CB 0.661 39.222 38.487 0.124 0.000 1.167 1225 N HN 0.222 nan 8.380 nan 0.000 0.515 1226 S N -0.347 115.422 115.700 0.116 0.000 2.569 1226 S HA 0.662 5.132 4.470 -0.001 0.000 0.280 1226 S C -2.859 171.776 174.600 0.058 0.000 1.111 1226 S CA -1.417 56.826 58.200 0.073 0.000 0.887 1226 S CB 1.072 64.300 63.200 0.047 0.000 1.095 1226 S HN -0.088 nan 8.310 nan 0.000 0.476 1227 P HA 0.230 nan 4.420 nan 0.000 0.266 1227 P C -1.474 175.826 177.300 0.001 0.000 1.195 1227 P CA 0.334 63.405 63.100 -0.049 0.000 0.768 1227 P CB -0.090 31.588 31.700 -0.037 0.000 0.838 1228 Y N 0.709 120.980 120.300 -0.047 0.000 2.544 1228 Y HA 0.774 5.324 4.550 -0.001 0.000 0.342 1228 Y C -1.449 174.439 175.900 -0.020 0.000 1.062 1228 Y CA -1.615 56.456 58.100 -0.048 0.000 1.023 1228 Y CB 1.035 39.471 38.460 -0.041 0.000 1.308 1228 Y HN 0.131 nan 8.280 nan 0.000 0.457 1229 I N 4.701 125.414 120.570 0.237 0.000 2.478 1229 I HA 0.483 4.652 4.170 -0.001 0.000 0.287 1229 I C -1.104 175.150 176.117 0.228 0.000 1.042 1229 I CA -0.687 60.712 61.300 0.165 0.000 1.067 1229 I CB 1.928 39.986 38.000 0.096 0.000 1.233 1229 I HN 0.602 nan 8.210 nan 0.000 0.431 1230 I N 7.670 128.359 120.570 0.199 0.000 2.476 1230 I HA 0.342 4.512 4.170 -0.001 0.000 0.281 1230 I C -2.542 173.654 176.117 0.132 0.000 1.040 1230 I CA -1.951 59.454 61.300 0.175 0.000 1.094 1230 I CB 1.809 39.870 38.000 0.103 0.000 1.219 1230 I HN 0.191 nan 8.210 nan 0.000 0.450 1231 P HA 0.124 nan 4.420 nan 0.000 0.267 1231 P C 0.272 177.677 177.300 0.176 0.000 1.205 1231 P CA 0.103 63.265 63.100 0.104 0.000 0.765 1231 P CB 0.893 32.647 31.700 0.090 0.000 0.828 1232 G N 0.876 109.752 108.800 0.126 0.000 2.583 1232 G HA2 0.255 4.215 3.960 -0.001 0.000 0.280 1232 G HA3 0.255 4.215 3.960 -0.001 0.000 0.280 1232 G C 1.090 176.045 174.900 0.092 0.000 1.376 1232 G CA -0.077 45.139 45.100 0.194 0.000 1.043 1232 G HN 0.405 nan 8.290 nan 0.000 0.538 1233 T N -1.267 113.319 114.554 0.053 0.000 2.737 1233 T HA -0.114 4.235 4.350 -0.001 0.000 0.265 1233 T C 1.940 176.568 174.700 -0.120 0.000 1.038 1233 T CA 2.169 64.169 62.100 -0.166 0.000 1.144 1233 T CB -0.172 68.635 68.868 -0.102 0.000 0.866 1233 T HN 0.373 nan 8.240 nan 0.000 0.434 1234 Q N -0.341 119.428 119.800 -0.052 0.000 2.423 1234 Q HA 0.272 4.611 4.340 -0.001 0.000 0.231 1234 Q C 1.106 177.079 176.000 -0.045 0.000 0.894 1234 Q CA 0.435 56.209 55.803 -0.048 0.000 0.938 1234 Q CB 0.499 29.222 28.738 -0.025 0.000 1.079 1234 Q HN 0.448 nan 8.270 nan 0.000 0.552 1235 T N -0.044 114.493 114.554 -0.028 0.000 2.907 1235 T HA 0.580 4.929 4.350 -0.001 0.000 0.290 1235 T C -1.236 173.449 174.700 -0.026 0.000 1.066 1235 T CA -0.604 61.479 62.100 -0.028 0.000 1.012 1235 T CB 1.854 70.719 68.868 -0.006 0.000 1.184 1235 T HN -0.173 nan 8.240 nan 0.000 0.522 1236 V N 2.447 122.339 119.914 -0.036 0.000 2.555 1236 V HA 0.503 4.622 4.120 -0.001 0.000 0.302 1236 V C 0.206 176.307 176.094 0.012 0.000 1.038 1236 V CA -0.690 61.597 62.300 -0.022 0.000 0.887 1236 V CB 2.010 33.783 31.823 -0.083 0.000 0.991 1236 V HN 1.050 nan 8.190 nan 0.000 0.434 1237 T N 6.089 120.670 114.554 0.044 0.000 2.845 1237 T HA 0.628 4.977 4.350 -0.001 0.000 0.288 1237 T C -0.656 174.074 174.700 0.048 0.000 0.980 1237 T CA -0.234 61.901 62.100 0.058 0.000 1.071 1237 T CB 0.841 69.765 68.868 0.094 0.000 0.941 1237 T HN 0.197 nan 8.240 nan 0.000 0.487 1238 L N 2.988 124.200 121.223 -0.018 0.000 2.356 1238 L HA 0.797 5.136 4.340 -0.001 0.000 0.277 1238 L C 0.565 177.256 176.870 -0.299 0.000 0.996 1238 L CA -0.000 54.766 54.840 -0.122 0.000 0.822 1238 L CB 1.569 43.593 42.059 -0.058 0.000 1.256 1238 L HN 0.876 nan 8.230 nan 0.000 0.413 1239 G N 0.383 108.728 108.800 -0.758 0.000 2.975 1239 G HA2 0.628 4.588 3.960 -0.001 0.000 0.291 1239 G HA3 0.628 4.588 3.960 -0.001 0.000 0.291 1239 G C -0.172 174.205 174.900 -0.871 0.000 1.334 1239 G CA -0.147 44.374 45.100 -0.965 0.000 0.843 1239 G HN 0.870 nan 8.290 nan 0.000 0.548 1240 G N -1.295 107.206 108.800 -0.499 0.000 3.771 1240 G HA2 0.103 4.062 3.960 -0.001 0.000 0.221 1240 G HA3 0.103 4.062 3.960 -0.001 0.000 0.221 1240 G C -0.431 174.507 174.900 0.063 0.000 0.897 1240 G CA -0.267 44.763 45.100 -0.116 0.000 1.034 1240 G HN 0.603 nan 8.290 nan 0.000 0.720 1241 I N 0.852 121.485 120.570 0.106 0.000 2.436 1241 I HA 0.652 4.821 4.170 -0.001 0.000 0.289 1241 I C -1.234 175.024 176.117 0.236 0.000 1.010 1241 I CA -1.165 60.219 61.300 0.140 0.000 1.098 1241 I CB 1.939 39.974 38.000 0.059 0.000 1.266 1241 I HN 0.035 nan 8.210 nan 0.000 0.434 1242 F N 6.036 126.041 119.950 0.092 0.000 2.949 1242 F HA 0.425 4.951 4.527 -0.001 0.000 0.376 1242 F C -0.891 174.943 175.800 0.057 0.000 1.205 1242 F CA -0.323 57.732 58.000 0.092 0.000 1.155 1242 F CB 1.081 40.159 39.000 0.129 0.000 1.495 1242 F HN 0.365 nan 8.300 nan 0.000 0.551 1243 Q N 5.976 125.836 119.800 0.099 0.000 2.400 1243 Q HA 0.435 4.775 4.340 -0.001 0.000 0.255 1243 Q C -0.597 175.418 176.000 0.025 0.000 1.008 1243 Q CA -0.576 55.294 55.803 0.113 0.000 0.841 1243 Q CB 2.142 30.920 28.738 0.068 0.000 1.220 1243 Q HN 0.625 nan 8.270 nan 0.000 0.474 1244 L N 1.748 123.061 121.223 0.149 0.000 2.499 1244 L HA 0.072 4.411 4.340 -0.001 0.000 0.273 1244 L C 1.230 178.099 176.870 -0.002 0.000 1.195 1244 L CA 0.904 55.794 54.840 0.083 0.000 0.882 1244 L CB 0.272 42.438 42.059 0.178 0.000 1.133 1244 L HN 1.065 nan 8.230 nan 0.000 0.483 1245 G N 2.182 110.918 108.800 -0.105 0.000 2.148 1245 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.254 1245 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.254 1245 G C 0.167 175.006 174.900 -0.102 0.000 0.981 1245 G CA 0.157 45.192 45.100 -0.107 0.000 0.670 1245 G HN 0.667 nan 8.290 nan 0.000 0.528 1246 N N -0.356 118.264 118.700 -0.135 0.000 2.422 1246 N HA 0.412 5.152 4.740 -0.001 0.000 0.266 1246 N C 0.365 175.822 175.510 -0.088 0.000 1.007 1246 N CA -0.909 52.130 53.050 -0.017 0.000 0.941 1246 N CB 0.550 39.070 38.487 0.053 0.000 1.115 1246 N HN 0.255 nan 8.380 nan 0.000 0.492 1247 W N 1.661 122.935 121.300 -0.043 0.000 3.239 1247 W HA 0.270 4.929 4.660 -0.002 0.000 0.348 1247 W C 0.962 177.510 176.519 0.050 0.000 1.183 1247 W CA -0.449 56.731 57.345 -0.275 0.000 1.819 1247 W CB 0.383 29.670 29.460 -0.290 0.000 1.091 1247 W HN 0.402 nan 8.180 nan 0.000 0.629 1248 S N 1.964 117.907 115.700 0.405 0.000 2.414 1248 S HA 0.004 4.474 4.470 -0.001 0.000 0.290 1248 S C 0.295 175.159 174.600 0.439 0.000 1.160 1248 S CA -0.198 58.217 58.200 0.358 0.000 1.069 1248 S CB 0.096 63.425 63.200 0.215 0.000 1.012 1248 S HN 0.252 nan 8.310 nan 0.000 0.510 1249 E N 5.126 125.618 120.200 0.486 0.000 2.122 1249 E HA 0.334 4.684 4.350 -0.001 0.000 0.288 1249 E C -1.030 175.659 176.600 0.148 0.000 1.260 1249 E CA -0.352 56.240 56.400 0.320 0.000 1.344 1249 E CB 0.081 30.071 29.700 0.483 0.000 1.337 1249 E HN 0.550 nan 8.360 nan 0.000 0.484 1250 L N 2.451 123.730 121.223 0.093 0.000 2.526 1250 L HA 0.384 4.723 4.340 -0.001 0.000 0.263 1250 L C -1.515 175.377 176.870 0.037 0.000 0.943 1250 L CA -0.724 54.155 54.840 0.065 0.000 0.859 1250 L CB 1.815 43.922 42.059 0.080 0.000 1.313 1250 L HN 0.050 nan 8.230 nan 0.000 0.406 1251 N N 2.984 121.699 118.700 0.024 0.000 2.468 1251 N HA 0.095 4.834 4.740 -0.001 0.000 0.265 1251 N C -0.708 174.819 175.510 0.029 0.000 1.199 1251 N CA 0.242 53.306 53.050 0.023 0.000 0.928 1251 N CB 0.438 38.939 38.487 0.023 0.000 1.059 1251 N HN 0.660 nan 8.380 nan 0.000 0.467 1252 N N 2.454 121.178 118.700 0.041 0.000 2.419 1252 N HA 0.144 4.883 4.740 -0.001 0.000 0.277 1252 N C 1.245 176.789 175.510 0.055 0.000 1.006 1252 N CA -0.512 52.564 53.050 0.044 0.000 0.923 1252 N CB 0.741 39.259 38.487 0.052 0.000 1.140 1252 N HN 0.431 nan 8.380 nan 0.000 0.488 1253 I N 2.377 122.961 120.570 0.023 0.000 2.361 1253 I HA -0.204 3.965 4.170 -0.001 0.000 0.251 1253 I C 1.421 177.583 176.117 0.074 0.000 1.133 1253 I CA 1.579 62.881 61.300 0.003 0.000 1.413 1253 I CB -0.084 37.886 38.000 -0.049 0.000 1.073 1253 I HN 0.759 nan 8.210 nan 0.000 0.424 1254 Q N 0.721 120.563 119.800 0.069 0.000 2.123 1254 Q HA -0.160 4.179 4.340 -0.001 0.000 0.199 1254 Q C 1.737 177.796 176.000 0.099 0.000 0.966 1254 Q CA 1.509 57.360 55.803 0.080 0.000 0.845 1254 Q CB -0.044 28.730 28.738 0.060 0.000 0.907 1254 Q HN 0.438 nan 8.270 nan 0.000 0.439 1255 D N -1.393 119.064 120.400 0.095 0.000 2.117 1255 D HA -0.155 4.485 4.640 -0.001 0.000 0.198 1255 D C 1.610 177.976 176.300 0.110 0.000 0.982 1255 D CA 1.269 55.320 54.000 0.086 0.000 0.828 1255 D CB -0.315 40.524 40.800 0.065 0.000 0.967 1255 D HN 0.468 nan 8.370 nan 0.000 0.464 1256 H N 1.101 120.190 119.070 0.031 0.000 2.321 1256 H HA -0.131 4.424 4.556 -0.001 0.000 0.295 1256 H C 1.732 177.114 175.328 0.091 0.000 1.102 1256 H CA 2.100 58.172 56.048 0.041 0.000 1.266 1256 H CB 0.164 29.930 29.762 0.007 0.000 1.363 1256 H HN -0.027 nan 8.280 nan 0.000 0.492 1257 N N -0.472 118.382 118.700 0.257 0.000 2.120 1257 N HA -0.118 4.622 4.740 -0.001 0.000 0.188 1257 N C 1.899 177.500 175.510 0.151 0.000 1.024 1257 N CA 1.716 54.899 53.050 0.222 0.000 0.852 1257 N CB -0.662 37.935 38.487 0.183 0.000 1.003 1257 N HN 0.441 nan 8.380 nan 0.000 0.424 1258 T N 2.635 117.250 114.554 0.101 0.000 2.684 1258 T HA -0.063 4.287 4.350 -0.001 0.000 0.267 1258 T C 1.967 176.686 174.700 0.031 0.000 1.036 1258 T CA 0.732 62.869 62.100 0.063 0.000 1.148 1258 T CB -0.090 68.810 68.868 0.053 0.000 0.863 1258 T HN 0.108 nan 8.240 nan 0.000 0.436 1259 I N 0.209 120.785 120.570 0.010 0.000 2.099 1259 I HA -0.195 3.974 4.170 -0.001 0.000 0.239 1259 I C 2.331 178.445 176.117 -0.005 0.000 1.066 1259 I CA 1.430 62.706 61.300 -0.040 0.000 1.324 1259 I CB -1.424 36.532 38.000 -0.074 0.000 1.037 1259 I HN 0.513 nan 8.210 nan 0.000 0.401 1260 W N 1.965 123.166 121.300 -0.165 0.000 2.358 1260 W HA -0.236 4.423 4.660 -0.001 0.000 0.303 1260 W C 2.392 178.882 176.519 -0.049 0.000 1.208 1260 W CA 1.701 58.967 57.345 -0.131 0.000 1.274 1260 W CB -0.003 29.354 29.460 -0.172 0.000 1.138 1260 W HN 0.225 nan 8.180 nan 0.000 0.515 1261 E N -0.424 119.792 120.200 0.027 0.000 2.107 1261 E HA -0.062 4.288 4.350 -0.001 0.000 0.191 1261 E C 2.469 179.013 176.600 -0.092 0.000 0.982 1261 E CA 1.762 58.139 56.400 -0.039 0.000 0.809 1261 E CB -0.810 28.927 29.700 0.062 0.000 0.756 1261 E HN 0.248 nan 8.360 nan 0.000 0.459 1262 G N -0.410 108.354 108.800 -0.060 0.000 2.402 1262 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.216 1262 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.216 1262 G C 1.659 176.509 174.900 -0.084 0.000 1.162 1262 G CA 0.972 46.045 45.100 -0.045 0.000 0.777 1262 G HN 0.358 nan 8.290 nan 0.000 0.539 1263 C N -0.327 118.878 119.300 -0.158 0.000 2.485 1263 C HA 0.073 4.532 4.460 -0.001 0.000 0.278 1263 C C 3.037 177.890 174.990 -0.228 0.000 1.356 1263 C CA 0.255 59.166 59.018 -0.177 0.000 1.747 1263 C CB -0.996 26.628 27.740 -0.193 0.000 2.001 1263 C HN 0.571 nan 8.230 nan 0.000 0.501 1264 C N 0.136 119.208 119.300 -0.380 0.000 2.435 1264 C HA -0.071 4.389 4.460 -0.001 0.000 0.279 1264 C C 2.864 177.755 174.990 -0.166 0.000 1.321 1264 C CA 0.894 59.690 59.018 -0.370 0.000 1.752 1264 C CB -1.372 26.031 27.740 -0.562 0.000 1.959 1264 C HN 0.610 nan 8.230 nan 0.000 0.500 1265 R N 0.252 120.686 120.500 -0.110 0.000 2.090 1265 R HA -0.005 4.334 4.340 -0.001 0.000 0.228 1265 R C 2.162 178.481 176.300 0.031 0.000 1.110 1265 R CA 0.997 57.082 56.100 -0.025 0.000 0.973 1265 R CB -0.253 30.048 30.300 0.002 0.000 0.869 1265 R HN 0.490 nan 8.270 nan 0.000 0.440 1266 L N -0.065 121.179 121.223 0.035 0.000 2.072 1266 L HA -0.062 4.277 4.340 -0.001 0.000 0.205 1266 L C 0.123 177.064 176.870 0.119 0.000 1.079 1266 L CA 1.109 56.012 54.840 0.105 0.000 0.752 1266 L CB 0.212 42.294 42.059 0.039 0.000 0.906 1266 L HN 0.117 nan 8.230 nan 0.000 0.436 1267 E N -1.197 119.029 120.200 0.043 0.000 2.731 1267 E HA 0.203 4.553 4.350 -0.001 0.000 0.248 1267 E C -2.075 174.531 176.600 0.010 0.000 1.084 1267 E CA -1.924 54.509 56.400 0.055 0.000 0.776 1267 E CB 1.199 30.950 29.700 0.085 0.000 1.404 1267 E HN -0.071 nan 8.360 nan 0.000 0.395 1268 P HA -0.131 nan 4.420 nan 0.000 0.222 1268 P C 1.109 178.415 177.300 0.009 0.000 1.147 1268 P CA 1.321 64.408 63.100 -0.021 0.000 0.790 1268 P CB 0.125 31.813 31.700 -0.020 0.000 0.780 1269 T N -3.363 111.231 114.554 0.066 0.000 2.977 1269 T HA -0.114 4.235 4.350 -0.001 0.000 0.271 1269 T C 1.560 176.424 174.700 0.274 0.000 1.105 1269 T CA 0.766 62.938 62.100 0.120 0.000 1.116 1269 T CB -0.942 68.024 68.868 0.163 0.000 0.878 1269 T HN -0.105 nan 8.240 nan 0.000 0.509 1270 L N 0.443 121.772 121.223 0.176 0.000 2.291 1270 L HA 0.291 4.630 4.340 -0.001 0.000 0.214 1270 L C 2.518 179.427 176.870 0.064 0.000 1.120 1270 L CA 1.139 56.046 54.840 0.112 0.000 0.799 1270 L CB -1.004 40.976 42.059 -0.132 0.000 0.925 1270 L HN 0.196 nan 8.230 nan 0.000 0.446 1271 K N 0.103 120.518 120.400 0.024 0.000 2.173 1271 K HA -0.138 4.181 4.320 -0.001 0.000 0.207 1271 K C 1.175 177.949 176.600 0.290 0.000 1.046 1271 K CA 1.223 57.587 56.287 0.129 0.000 0.929 1271 K CB -0.049 32.496 32.500 0.075 0.000 0.720 1271 K HN 0.303 nan 8.250 nan 0.000 0.453 1272 N N -0.206 118.643 118.700 0.248 0.000 2.279 1272 N HA 0.127 4.866 4.740 -0.001 0.000 0.226 1272 N C -0.732 174.987 175.510 0.348 0.000 1.126 1272 N CA 0.185 53.383 53.050 0.247 0.000 0.846 1272 N CB 0.797 39.361 38.487 0.128 0.000 1.050 1272 N HN 0.116 nan 8.380 nan 0.000 0.502 1273 A N 0.655 123.734 122.820 0.431 0.000 2.286 1273 A HA 0.565 4.884 4.320 -0.001 0.000 0.286 1273 A C 0.309 178.061 177.584 0.281 0.000 1.097 1273 A CA -0.337 51.930 52.037 0.383 0.000 0.821 1273 A CB 0.853 20.034 19.000 0.302 0.000 1.076 1273 A HN 0.055 nan 8.150 nan 0.000 0.490 1274 R N 0.607 121.214 120.500 0.179 0.000 2.265 1274 R HA 0.482 4.822 4.340 -0.001 0.000 0.319 1274 R C -0.717 175.626 176.300 0.071 0.000 1.006 1274 R CA -0.493 55.669 56.100 0.103 0.000 0.880 1274 R CB 0.310 30.658 30.300 0.080 0.000 1.077 1274 R HN 0.628 nan 8.270 nan 0.000 0.454 1275 I N 5.940 126.523 120.570 0.022 0.000 2.379 1275 I HA 0.023 4.192 4.170 -0.001 0.000 0.290 1275 I C 0.754 176.876 176.117 0.008 0.000 1.063 1275 I CA -0.192 61.109 61.300 0.002 0.000 1.351 1275 I CB 0.782 38.739 38.000 -0.072 0.000 1.410 1275 I HN 0.522 nan 8.210 nan 0.000 0.505 1276 I N 4.559 125.139 120.570 0.017 0.000 3.228 1276 I HA 0.287 4.456 4.170 -0.001 0.000 0.279 1276 I C 1.127 177.251 176.117 0.012 0.000 1.221 1276 I CA 0.395 61.702 61.300 0.013 0.000 1.458 1276 I CB -0.977 37.030 38.000 0.013 0.000 1.105 1276 I HN 0.761 nan 8.210 nan 0.000 0.445 1277 G N 0.491 109.302 108.800 0.018 0.000 2.320 1277 G HA2 0.298 4.257 3.960 -0.001 0.000 0.297 1277 G HA3 0.298 4.257 3.960 -0.001 0.000 0.297 1277 G C -1.428 173.489 174.900 0.029 0.000 1.344 1277 G CA -0.745 44.368 45.100 0.020 0.000 0.851 1277 G HN 0.071 nan 8.290 nan 0.000 0.567 1278 E N -0.455 119.763 120.200 0.030 0.000 2.340 1278 E HA 0.703 5.052 4.350 -0.001 0.000 0.273 1278 E C -0.616 175.993 176.600 0.015 0.000 0.891 1278 E CA -0.850 55.570 56.400 0.033 0.000 0.757 1278 E CB 2.994 32.736 29.700 0.069 0.000 1.231 1278 E HN 0.477 nan 8.360 nan 0.000 0.439 1279 R N 0.340 120.840 120.500 0.000 0.000 2.799 1279 R HA 0.561 4.900 4.340 -0.001 0.000 0.270 1279 R C -1.202 175.066 176.300 -0.054 0.000 1.010 1279 R CA -0.703 55.385 56.100 -0.019 0.000 0.916 1279 R CB 2.562 32.853 30.300 -0.015 0.000 1.228 1279 R HN 0.396 nan 8.270 nan 0.000 0.469 1280 T N 0.045 114.541 114.554 -0.097 0.000 2.863 1280 T HA 0.698 5.048 4.350 -0.001 0.000 0.285 1280 T C -0.616 173.890 174.700 -0.325 0.000 1.009 1280 T CA -0.676 61.304 62.100 -0.200 0.000 0.989 1280 T CB 1.960 70.710 68.868 -0.197 0.000 1.004 1280 T HN 0.724 nan 8.240 nan 0.000 0.455 1281 G N 0.891 109.408 108.800 -0.471 0.000 2.695 1281 G HA2 0.686 4.645 3.960 -0.001 0.000 0.290 1281 G HA3 0.686 4.645 3.960 -0.001 0.000 0.290 1281 G C -1.943 172.481 174.900 -0.792 0.000 1.410 1281 G CA -0.673 44.099 45.100 -0.546 0.000 0.844 1281 G HN 0.497 nan 8.290 nan 0.000 0.478 1282 F N 0.755 120.600 119.950 -0.176 0.000 2.403 1282 F HA 0.495 5.021 4.527 -0.001 0.000 0.355 1282 F C 0.893 176.496 175.800 -0.328 0.000 1.119 1282 F CA -0.891 56.905 58.000 -0.340 0.000 1.007 1282 F CB 1.791 40.476 39.000 -0.525 0.000 1.194 1282 F HN 0.082 nan 8.300 nan 0.000 0.443 1283 R N 4.441 124.841 120.500 -0.168 0.000 2.404 1283 R HA 0.150 4.489 4.340 -0.001 0.000 0.315 1283 R C -2.283 173.932 176.300 -0.141 0.000 1.032 1283 R CA -1.466 54.550 56.100 -0.140 0.000 0.992 1283 R CB 0.125 30.334 30.300 -0.151 0.000 0.959 1283 R HN 0.258 nan 8.270 nan 0.000 0.428 1284 P HA -0.003 nan 4.420 nan 0.000 0.259 1284 P C -0.319 176.987 177.300 0.010 0.000 1.635 1284 P CA 0.090 63.156 63.100 -0.057 0.000 1.199 1284 P CB 0.240 31.959 31.700 0.032 0.000 1.850 1285 V N 5.065 124.984 119.914 0.007 0.000 2.508 1285 V HA 0.257 4.376 4.120 -0.001 0.000 0.281 1285 V C 0.952 177.111 176.094 0.109 0.000 1.041 1285 V CA 0.225 62.594 62.300 0.115 0.000 1.016 1285 V CB 0.232 32.160 31.823 0.176 0.000 0.984 1285 V HN 0.454 nan 8.190 nan 0.000 0.478 1286 R N 4.067 124.649 120.500 0.136 0.000 2.643 1286 R HA 0.347 4.686 4.340 -0.001 0.000 0.269 1286 R C -2.171 174.208 176.300 0.131 0.000 1.037 1286 R CA -1.349 54.818 56.100 0.112 0.000 0.894 1286 R CB 2.494 32.842 30.300 0.080 0.000 1.238 1286 R HN 0.377 nan 8.270 nan 0.000 0.459 1287 P HA -0.170 nan 4.420 nan 0.000 0.219 1287 P C -0.668 176.702 177.300 0.117 0.000 1.146 1287 P CA 1.129 64.294 63.100 0.109 0.000 0.808 1287 P CB 0.254 31.997 31.700 0.072 0.000 0.779 1288 Q N -2.189 117.662 119.800 0.085 0.000 2.522 1288 Q HA 0.365 4.704 4.340 -0.001 0.000 0.285 1288 Q C -1.087 174.918 176.000 0.008 0.000 0.982 1288 Q CA -1.004 54.849 55.803 0.082 0.000 0.805 1288 Q CB 0.550 29.323 28.738 0.060 0.000 1.457 1288 Q HN -0.174 nan 8.270 nan 0.000 0.394 1289 I N 1.764 122.334 120.570 0.001 0.000 2.668 1289 I HA 0.054 4.224 4.170 -0.001 0.000 0.285 1289 I C 0.569 176.592 176.117 -0.156 0.000 1.168 1289 I CA 0.255 61.455 61.300 -0.168 0.000 1.424 1289 I CB 0.285 38.206 38.000 -0.132 0.000 1.377 1289 I HN 0.465 nan 8.210 nan 0.000 0.560 1290 R N 6.500 126.783 120.500 -0.362 0.000 2.308 1290 R HA 0.293 4.633 4.340 -0.001 0.000 0.325 1290 R C -1.299 174.851 176.300 -0.251 0.000 1.161 1290 R CA -0.604 55.273 56.100 -0.372 0.000 1.022 1290 R CB 0.218 30.092 30.300 -0.710 0.000 1.091 1290 R HN 0.379 nan 8.270 nan 0.000 0.497 1291 L N 5.452 126.635 121.223 -0.066 0.000 2.401 1291 L HA 0.374 4.714 4.340 -0.001 0.000 0.263 1291 L C -1.217 175.679 176.870 0.045 0.000 1.004 1291 L CA -0.238 54.595 54.840 -0.012 0.000 0.881 1291 L CB 1.005 43.036 42.059 -0.046 0.000 1.219 1291 L HN 0.765 nan 8.230 nan 0.000 0.441 1292 E N 3.193 123.427 120.200 0.057 0.000 2.409 1292 E HA 0.528 4.877 4.350 -0.001 0.000 0.280 1292 E C -1.305 175.327 176.600 0.054 0.000 1.079 1292 E CA -1.081 55.358 56.400 0.066 0.000 0.840 1292 E CB 1.280 31.024 29.700 0.074 0.000 1.309 1292 E HN 0.368 nan 8.360 nan 0.000 0.447 1293 R N 0.480 120.993 120.500 0.022 0.000 2.500 1293 R HA 0.443 4.782 4.340 -0.001 0.000 0.275 1293 R C -0.645 175.650 176.300 -0.008 0.000 1.051 1293 R CA -0.474 55.611 56.100 -0.026 0.000 1.088 1293 R CB 1.198 31.477 30.300 -0.035 0.000 1.063 1293 R HN 0.654 nan 8.270 nan 0.000 0.511 1294 E N 1.499 121.658 120.200 -0.068 0.000 2.304 1294 E HA 0.105 4.455 4.350 -0.001 0.000 0.277 1294 E C -1.506 175.037 176.600 -0.095 0.000 0.898 1294 E CA -0.580 55.794 56.400 -0.043 0.000 0.764 1294 E CB 1.518 31.228 29.700 0.017 0.000 1.216 1294 E HN 0.411 nan 8.360 nan 0.000 0.419 1295 Q N 3.339 123.103 119.800 -0.060 0.000 2.290 1295 Q HA 0.346 4.685 4.340 -0.001 0.000 0.259 1295 Q C -0.775 175.193 176.000 -0.055 0.000 0.941 1295 Q CA -0.842 54.920 55.803 -0.068 0.000 0.912 1295 Q CB 1.879 30.587 28.738 -0.050 0.000 1.244 1295 Q HN 0.427 nan 8.270 nan 0.000 0.441 1296 L N 3.372 124.555 121.223 -0.068 0.000 2.315 1296 L HA 0.248 4.587 4.340 -0.001 0.000 0.278 1296 L C -0.155 176.706 176.870 -0.016 0.000 1.088 1296 L CA 0.082 54.899 54.840 -0.038 0.000 0.899 1296 L CB 0.312 42.340 42.059 -0.053 0.000 1.277 1296 L HN 0.413 nan 8.230 nan 0.000 0.431 1297 R N 1.434 121.931 120.500 -0.006 0.000 2.351 1297 R HA 0.165 4.505 4.340 -0.001 0.000 0.318 1297 R C 0.183 176.488 176.300 0.007 0.000 1.055 1297 R CA 0.236 56.335 56.100 -0.003 0.000 0.968 1297 R CB 0.468 30.767 30.300 -0.002 0.000 0.974 1297 R HN 0.489 nan 8.270 nan 0.000 0.439 1298 T N 3.092 117.649 114.554 0.005 0.000 3.514 1298 T HA 0.369 4.718 4.350 -0.001 0.000 0.259 1298 T C 0.625 175.329 174.700 0.006 0.000 1.466 1298 T CA 0.421 62.528 62.100 0.011 0.000 1.562 1298 T CB -0.038 68.840 68.868 0.017 0.000 0.924 1298 T HN 0.890 nan 8.240 nan 0.000 0.678 1299 G N 4.417 113.220 108.800 0.004 0.000 2.588 1299 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.273 1299 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.273 1299 G C -1.083 173.816 174.900 -0.002 0.000 1.211 1299 G CA 0.072 45.173 45.100 0.002 0.000 0.958 1299 G HN 0.583 nan 8.290 nan 0.000 0.543 1300 P HA 0.134 nan 4.420 nan 0.000 0.198 1300 P C 1.294 178.588 177.300 -0.010 0.000 1.043 1300 P CA 2.054 65.151 63.100 -0.006 0.000 0.892 1300 P CB -0.768 30.928 31.700 -0.006 0.000 0.701 1301 S N 0.527 116.220 115.700 -0.012 0.000 2.586 1301 S HA 0.337 4.806 4.470 -0.001 0.000 0.274 1301 S C 0.058 174.648 174.600 -0.017 0.000 1.281 1301 S CA -0.789 57.400 58.200 -0.018 0.000 1.035 1301 S CB 0.177 63.364 63.200 -0.021 0.000 0.962 1301 S HN 0.359 nan 8.310 nan 0.000 0.512 1302 N N 0.423 119.109 118.700 -0.024 0.000 2.459 1302 N HA 0.599 5.338 4.740 -0.001 0.000 0.288 1302 N C -0.570 174.918 175.510 -0.037 0.000 1.186 1302 N CA -0.707 52.328 53.050 -0.025 0.000 0.917 1302 N CB 1.060 39.531 38.487 -0.026 0.000 1.219 1302 N HN 0.766 nan 8.380 nan 0.000 0.525 1303 T N -2.612 111.918 114.554 -0.039 0.000 2.925 1303 T HA 0.429 4.779 4.350 -0.001 0.000 0.285 1303 T C -0.513 174.137 174.700 -0.083 0.000 1.021 1303 T CA -0.877 61.192 62.100 -0.053 0.000 1.042 1303 T CB 1.128 69.976 68.868 -0.034 0.000 1.037 1303 T HN 0.405 nan 8.240 nan 0.000 0.481 1304 E N 1.533 121.674 120.200 -0.099 0.000 2.197 1304 E HA 0.474 4.823 4.350 -0.001 0.000 0.281 1304 E C -0.865 175.636 176.600 -0.165 0.000 0.995 1304 E CA -0.629 55.694 56.400 -0.127 0.000 0.808 1304 E CB 2.112 31.735 29.700 -0.130 0.000 1.093 1304 E HN 0.483 nan 8.360 nan 0.000 0.394 1305 V N 5.023 124.792 119.914 -0.241 0.000 2.417 1305 V HA 0.375 4.495 4.120 -0.001 0.000 0.291 1305 V C 0.100 175.980 176.094 -0.357 0.000 1.024 1305 V CA -0.612 61.460 62.300 -0.380 0.000 0.861 1305 V CB 1.265 32.677 31.823 -0.686 0.000 0.985 1305 V HN 0.517 nan 8.190 nan 0.000 0.436 1306 I N 4.838 125.247 120.570 -0.269 0.000 2.330 1306 I HA 0.404 4.573 4.170 -0.001 0.000 0.289 1306 I C -0.207 175.800 176.117 -0.183 0.000 1.001 1306 I CA -0.457 60.735 61.300 -0.180 0.000 1.193 1306 I CB 0.881 38.857 38.000 -0.041 0.000 1.345 1306 I HN 0.630 nan 8.210 nan 0.000 0.461 1307 H N 4.897 123.989 119.070 0.036 0.000 2.548 1307 H HA 0.332 4.888 4.556 -0.001 0.000 0.331 1307 H C -0.058 175.302 175.328 0.053 0.000 1.093 1307 H CA -0.297 55.817 56.048 0.111 0.000 1.367 1307 H CB 0.812 30.632 29.762 0.096 0.000 1.455 1307 H HN 0.401 nan 8.280 nan 0.000 0.519 1308 N N 3.115 121.984 118.700 0.281 0.000 2.710 1308 N HA 0.086 4.825 4.740 -0.001 0.000 0.244 1308 N C -1.985 173.763 175.510 0.395 0.000 1.321 1308 N CA -0.587 52.583 53.050 0.200 0.000 0.758 1308 N CB 0.227 38.800 38.487 0.143 0.000 1.284 1308 N HN 0.606 nan 8.380 nan 0.000 0.530 1309 Y N -1.169 119.254 120.300 0.204 0.000 2.656 1309 Y HA 0.681 5.230 4.550 -0.001 0.000 0.334 1309 Y C 0.460 176.312 175.900 -0.080 0.000 1.179 1309 Y CA -0.819 57.399 58.100 0.196 0.000 1.050 1309 Y CB 0.863 39.433 38.460 0.183 0.000 1.308 1309 Y HN 0.258 nan 8.280 nan 0.000 0.456 1310 G N 1.381 110.313 108.800 0.220 0.000 2.392 1310 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.215 1310 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.215 1310 G C -0.665 174.100 174.900 -0.226 0.000 1.097 1310 G CA 0.102 45.218 45.100 0.027 0.000 0.840 1310 G HN 1.075 nan 8.290 nan 0.000 0.492 1311 H N -0.133 118.860 119.070 -0.128 0.000 2.517 1311 H HA 0.447 5.002 4.556 -0.000 0.000 0.282 1311 H C 2.201 177.132 175.328 -0.662 0.000 1.023 1311 H CA 0.888 56.665 56.048 -0.451 0.000 1.169 1311 H CB 0.274 29.846 29.762 -0.317 0.000 1.454 1311 H HN 1.139 nan 8.280 nan 0.000 0.556 1312 G N 0.984 109.681 108.800 -0.173 0.000 2.698 1312 G HA2 -0.400 3.560 3.960 -0.001 0.000 0.346 1312 G HA3 -0.400 3.560 3.960 -0.001 0.000 0.346 1312 G C 1.448 176.356 174.900 0.013 0.000 1.287 1312 G CA 0.496 45.599 45.100 0.005 0.000 0.990 1312 G HN 0.598 nan 8.290 nan 0.000 0.545 1313 G N -0.590 108.369 108.800 0.264 0.000 3.440 1313 G HA2 0.485 4.444 3.960 -0.001 0.000 0.263 1313 G HA3 0.485 4.444 3.960 -0.001 0.000 0.263 1313 G C 0.407 175.402 174.900 0.160 0.000 1.236 1313 G CA 1.144 46.435 45.100 0.317 0.000 0.927 1313 G HN 1.482 nan 8.290 nan 0.000 0.530 1314 Y N -4.220 116.031 120.300 -0.082 0.000 2.863 1314 Y HA 0.392 4.941 4.550 -0.002 0.000 0.254 1314 Y C 1.474 177.338 175.900 -0.060 0.000 1.124 1314 Y CA -0.893 57.098 58.100 -0.182 0.000 1.203 1314 Y CB -0.116 38.109 38.460 -0.391 0.000 1.269 1314 Y HN -0.069 nan 8.280 nan 0.000 0.586 1315 G N 1.693 110.411 108.800 -0.137 0.000 2.442 1315 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.219 1315 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.219 1315 G C 1.281 176.193 174.900 0.020 0.000 1.141 1315 G CA 1.334 46.381 45.100 -0.087 0.000 0.763 1315 G HN 0.324 nan 8.290 nan 0.000 0.554 1316 L N 0.850 122.081 121.223 0.013 0.000 2.179 1316 L HA 0.030 4.369 4.340 -0.001 0.000 0.208 1316 L C 2.970 179.982 176.870 0.236 0.000 1.096 1316 L CA 1.536 56.417 54.840 0.068 0.000 0.779 1316 L CB -1.475 40.560 42.059 -0.040 0.000 0.922 1316 L HN 0.179 nan 8.230 nan 0.000 0.443 1317 T N -0.489 114.101 114.554 0.061 0.000 2.881 1317 T HA -0.107 4.243 4.350 -0.001 0.000 0.270 1317 T C 1.809 176.613 174.700 0.172 0.000 1.068 1317 T CA 1.152 63.180 62.100 -0.120 0.000 1.131 1317 T CB 0.186 68.713 68.868 -0.568 0.000 0.871 1317 T HN 0.197 nan 8.240 nan 0.000 0.479 1318 I N -0.063 120.664 120.570 0.261 0.000 4.439 1318 I HA 0.118 4.287 4.170 -0.001 0.000 0.331 1318 I C 1.890 178.150 176.117 0.239 0.000 1.345 1318 I CA -0.083 61.408 61.300 0.319 0.000 1.193 1318 I CB 0.259 38.520 38.000 0.436 0.000 1.221 1318 I HN 0.327 nan 8.210 nan 0.000 0.429 1319 H N -0.483 118.686 119.070 0.165 0.000 2.319 1319 H HA -0.287 4.268 4.556 -0.001 0.000 0.297 1319 H C 2.107 177.515 175.328 0.134 0.000 1.097 1319 H CA 2.217 58.319 56.048 0.090 0.000 1.285 1319 H CB -0.803 29.032 29.762 0.122 0.000 1.368 1319 H HN 0.511 nan 8.280 nan 0.000 0.495 1320 W N 2.723 123.546 121.300 -0.796 0.000 2.381 1320 W HA -0.056 4.604 4.660 -0.001 0.000 0.301 1320 W C 2.369 178.723 176.519 -0.274 0.000 1.205 1320 W CA 1.477 58.489 57.345 -0.555 0.000 1.285 1320 W CB -0.395 28.687 29.460 -0.631 0.000 1.133 1320 W HN 0.444 nan 8.180 nan 0.000 0.521 1321 G N 0.250 108.991 108.800 -0.098 0.000 2.422 1321 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.218 1321 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.218 1321 G C 1.477 176.040 174.900 -0.561 0.000 1.146 1321 G CA 1.359 46.383 45.100 -0.127 0.000 0.769 1321 G HN 0.333 nan 8.290 nan 0.000 0.547 1322 C N 0.750 119.721 119.300 -0.550 0.000 2.440 1322 C HA 0.235 4.694 4.460 -0.001 0.000 0.278 1322 C C 3.518 178.210 174.990 -0.496 0.000 1.295 1322 C CA 0.729 59.321 59.018 -0.709 0.000 1.738 1322 C CB -0.844 26.713 27.740 -0.305 0.000 1.987 1322 C HN 0.568 nan 8.230 nan 0.000 0.492 1323 A N 0.348 122.921 122.820 -0.413 0.000 1.930 1323 A HA -0.068 4.251 4.320 -0.001 0.000 0.217 1323 A C 2.083 179.388 177.584 -0.466 0.000 1.175 1323 A CA 1.338 53.137 52.037 -0.396 0.000 0.627 1323 A CB -0.538 18.212 19.000 -0.417 0.000 0.815 1323 A HN 0.615 nan 8.150 nan 0.000 0.443 1324 L N -0.965 119.903 121.223 -0.592 0.000 2.093 1324 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 1324 L C 2.620 179.337 176.870 -0.257 0.000 1.085 1324 L CA 1.635 56.208 54.840 -0.444 0.000 0.755 1324 L CB -0.426 41.375 42.059 -0.430 0.000 0.904 1324 L HN 0.466 nan 8.230 nan 0.000 0.435 1325 E N 0.733 120.746 120.200 -0.312 0.000 2.077 1325 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 1325 E C 2.145 178.665 176.600 -0.134 0.000 0.989 1325 E CA 1.515 57.792 56.400 -0.205 0.000 0.800 1325 E CB -0.101 29.360 29.700 -0.397 0.000 0.746 1325 E HN 0.346 nan 8.360 nan 0.000 0.452 1326 A N 0.743 123.454 122.820 -0.181 0.000 1.933 1326 A HA -0.057 4.262 4.320 -0.001 0.000 0.218 1326 A C 2.427 180.014 177.584 0.005 0.000 1.175 1326 A CA 2.039 54.028 52.037 -0.081 0.000 0.628 1326 A CB -0.982 17.960 19.000 -0.096 0.000 0.814 1326 A HN 0.395 nan 8.150 nan 0.000 0.444 1327 A N -0.654 122.149 122.820 -0.028 0.000 1.969 1327 A HA -0.113 4.206 4.320 -0.001 0.000 0.218 1327 A C 2.111 179.840 177.584 0.241 0.000 1.169 1327 A CA 1.777 53.878 52.037 0.106 0.000 0.635 1327 A CB -0.367 18.621 19.000 -0.020 0.000 0.810 1327 A HN 0.519 nan 8.150 nan 0.000 0.445 1328 K N -0.428 120.037 120.400 0.109 0.000 2.057 1328 K HA -0.011 4.308 4.320 -0.001 0.000 0.206 1328 K C 1.815 178.483 176.600 0.114 0.000 1.050 1328 K CA 1.188 57.549 56.287 0.122 0.000 0.935 1328 K CB -0.259 32.280 32.500 0.066 0.000 0.715 1328 K HN 0.509 nan 8.250 nan 0.000 0.439 1329 L N -0.210 121.063 121.223 0.084 0.000 2.093 1329 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 1329 L C 2.276 179.168 176.870 0.036 0.000 1.085 1329 L CA 0.870 55.739 54.840 0.048 0.000 0.755 1329 L CB -0.437 41.641 42.059 0.031 0.000 0.904 1329 L HN 0.155 nan 8.230 nan 0.000 0.435 1330 F N 1.171 121.083 119.950 -0.063 0.000 2.126 1330 F HA -0.181 4.346 4.527 -0.001 0.000 0.299 1330 F C 2.257 177.907 175.800 -0.249 0.000 1.096 1330 F CA 1.630 59.545 58.000 -0.142 0.000 1.255 1330 F CB -0.523 38.404 39.000 -0.122 0.000 0.997 1330 F HN 0.003 nan 8.300 nan 0.000 0.479 1331 G N 0.073 108.856 108.800 -0.027 0.000 2.440 1331 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.218 1331 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.218 1331 G C 1.797 176.607 174.900 -0.150 0.000 1.154 1331 G CA 0.835 45.863 45.100 -0.120 0.000 0.767 1331 G HN 0.331 nan 8.290 nan 0.000 0.552 1332 R N -0.164 120.281 120.500 -0.093 0.000 2.091 1332 R HA -0.007 4.332 4.340 -0.001 0.000 0.238 1332 R C 2.575 178.777 176.300 -0.163 0.000 1.136 1332 R CA 1.208 57.252 56.100 -0.094 0.000 0.959 1332 R CB -0.411 29.857 30.300 -0.054 0.000 0.856 1332 R HN 0.406 nan 8.270 nan 0.000 0.437 1333 I N 0.814 121.229 120.570 -0.258 0.000 2.226 1333 I HA -0.312 3.857 4.170 -0.001 0.000 0.245 1333 I C 2.239 178.159 176.117 -0.328 0.000 1.100 1333 I CA 1.320 62.432 61.300 -0.312 0.000 1.374 1333 I CB -0.296 37.448 38.000 -0.427 0.000 1.057 1333 I HN 0.152 nan 8.210 nan 0.000 0.413 1334 L N 0.641 121.610 121.223 -0.423 0.000 2.012 1334 L HA -0.248 4.091 4.340 -0.001 0.000 0.210 1334 L C 2.740 179.500 176.870 -0.184 0.000 1.073 1334 L CA 2.092 56.734 54.840 -0.330 0.000 0.748 1334 L CB -0.824 41.019 42.059 -0.360 0.000 0.891 1334 L HN 0.437 nan 8.230 nan 0.000 0.431 1335 E N 0.116 120.230 120.200 -0.144 0.000 2.152 1335 E HA -0.222 4.127 4.350 -0.001 0.000 0.192 1335 E C 1.754 178.305 176.600 -0.082 0.000 0.983 1335 E CA 1.014 57.362 56.400 -0.086 0.000 0.818 1335 E CB -0.206 29.462 29.700 -0.053 0.000 0.758 1335 E HN 0.531 nan 8.360 nan 0.000 0.467 1336 E N 0.971 121.111 120.200 -0.100 0.000 2.031 1336 E HA -0.123 4.226 4.350 -0.001 0.000 0.193 1336 E C 1.828 178.376 176.600 -0.086 0.000 0.994 1336 E CA 0.971 57.319 56.400 -0.086 0.000 0.800 1336 E CB 0.080 29.725 29.700 -0.092 0.000 0.752 1336 E HN 0.121 nan 8.360 nan 0.000 0.447 1337 K N 1.102 121.435 120.400 -0.112 0.000 2.574 1337 K HA -0.026 4.293 4.320 -0.001 0.000 0.193 1337 K C -0.265 176.287 176.600 -0.080 0.000 1.035 1337 K CA 0.339 56.566 56.287 -0.099 0.000 0.982 1337 K CB -0.187 32.238 32.500 -0.125 0.000 0.795 1337 K HN 0.149 nan 8.250 nan 0.000 0.491 1338 K N 0.292 120.648 120.400 -0.075 0.000 5.829 1338 K HA -0.179 4.140 4.320 -0.001 0.000 0.459 1338 K C -0.295 176.273 176.600 -0.053 0.000 1.139 1338 K CA 0.165 56.419 56.287 -0.055 0.000 1.349 1338 K CB -0.952 31.523 32.500 -0.041 0.000 1.801 1338 K HN 0.032 nan 8.250 nan 0.000 0.385 1339 L N 1.137 122.327 121.223 -0.055 0.000 3.153 1339 L HA 0.109 4.449 4.340 -0.001 0.000 0.354 1339 L C -0.379 176.470 176.870 -0.036 0.000 1.300 1339 L CA 0.248 55.059 54.840 -0.048 0.000 0.831 1339 L CB 0.907 42.924 42.059 -0.069 0.000 1.209 1339 L HN 0.408 nan 8.230 nan 0.000 0.574 1340 S N 0.000 115.687 115.700 -0.021 0.000 2.498 1340 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1340 S CA 0.000 58.203 58.200 0.005 0.000 1.107 1340 S CB 0.000 63.203 63.200 0.005 0.000 0.593 1340 S HN 0.000 nan 8.310 nan 0.000 0.517