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 3aem_1_C DATA FIRST_RESID 1003 DATA SEQUENCE AQDITTTLLH PKGDHVLHSH AYPIFQTSTF CFDSTQQGAD LFMGKGEGHI DATA SEQUENCE YSRLGNPTVE QFEEMVCSIE GAAGSAAFGS GMGAISSSTL AFLQKGDHLI DATA SEQUENCE AGDTLYGCTV SLFTHWLPRF GIEVDLIDTS DVEKVKAAWK PNTKMVYLES DATA SEQUENCE PANPTCKVSD IKGIAVVCHE RGARLVVDAT FTSPCFLKPL ELGADIALHS DATA SEQUENCE VSXYINGHGD VIGGVSSAKT AEDIATIKFY RKDAGSLMAP MDAFLCARGM DATA SEQUENCE KTLPIRMQIH MENGLKVAKF LEQHEKIVKV NHPGLESFPG HDIAKKQMTG DATA SEQUENCE YGSTFLFEMK SFEAAKKLME HLKVCTLAVS LGCVDTLIEH PASMTHAAVP DATA SEQUENCE ENIMRKQGIT PELVRISVGI ENVDDIIADL KQALELW 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 1003 A HA 0.000 nan 4.320 nan 0.000 0.244 1003 A C 0.000 177.585 177.584 0.002 0.000 1.274 1003 A CA 0.000 52.037 52.037 0.001 0.000 0.836 1003 A CB 0.000 19.001 19.000 0.002 0.000 0.831 1004 Q N 1.689 121.489 119.800 -0.000 0.000 2.304 1004 Q HA 0.108 4.446 4.340 -0.004 0.000 0.301 1004 Q C -0.022 175.982 176.000 0.008 0.000 1.063 1004 Q CA 0.633 56.437 55.803 0.002 0.000 0.947 1004 Q CB 0.421 29.158 28.738 -0.001 0.000 1.201 1004 Q HN 0.692 nan 8.270 nan 0.000 0.389 1005 D N 2.579 122.987 120.400 0.013 0.000 2.372 1005 D HA -0.029 4.609 4.640 -0.004 0.000 0.243 1005 D C 0.936 177.246 176.300 0.017 0.000 1.121 1005 D CA -0.327 53.683 54.000 0.015 0.000 0.898 1005 D CB 0.653 41.465 40.800 0.020 0.000 1.202 1005 D HN 0.640 nan 8.370 nan 0.000 0.428 1006 I N 2.493 123.067 120.570 0.007 0.000 2.264 1006 I HA -0.256 3.912 4.170 -0.004 0.000 0.248 1006 I C 1.857 177.977 176.117 0.004 0.000 1.111 1006 I CA 1.752 63.050 61.300 -0.004 0.000 1.382 1006 I CB -0.560 37.425 38.000 -0.025 0.000 1.060 1006 I HN 0.553 nan 8.210 nan 0.000 0.418 1007 T N 0.093 114.654 114.554 0.012 0.000 2.665 1007 T HA -0.210 4.137 4.350 -0.004 0.000 0.268 1007 T C 1.773 176.507 174.700 0.056 0.000 1.035 1007 T CA 2.408 64.522 62.100 0.024 0.000 1.151 1007 T CB -0.654 68.231 68.868 0.028 0.000 0.862 1007 T HN 0.456 nan 8.240 nan 0.000 0.438 1008 T N 1.540 116.140 114.554 0.077 0.000 2.737 1008 T HA -0.088 4.260 4.350 -0.004 0.000 0.265 1008 T C 2.315 177.120 174.700 0.175 0.000 1.038 1008 T CA 1.530 63.721 62.100 0.151 0.000 1.144 1008 T CB -0.782 68.138 68.868 0.086 0.000 0.866 1008 T HN 0.374 nan 8.240 nan 0.000 0.434 1009 T N 2.674 117.279 114.554 0.086 0.000 2.665 1009 T HA -0.045 4.303 4.350 -0.004 0.000 0.268 1009 T C 1.933 176.659 174.700 0.043 0.000 1.035 1009 T CA 1.087 63.223 62.100 0.061 0.000 1.151 1009 T CB -0.554 68.326 68.868 0.019 0.000 0.862 1009 T HN 0.250 nan 8.240 nan 0.000 0.438 1010 L N 0.149 121.381 121.223 0.015 0.000 2.201 1010 L HA 0.040 4.378 4.340 -0.004 0.000 0.212 1010 L C 2.216 179.062 176.870 -0.040 0.000 1.105 1010 L CA 0.876 55.705 54.840 -0.018 0.000 0.775 1010 L CB -0.391 41.653 42.059 -0.025 0.000 0.913 1010 L HN 0.269 nan 8.230 nan 0.000 0.440 1011 L N -1.326 119.873 121.223 -0.039 0.000 2.492 1011 L HA -0.020 4.317 4.340 -0.004 0.000 0.223 1011 L C 0.554 177.123 176.870 -0.502 0.000 1.132 1011 L CA 0.292 55.014 54.840 -0.196 0.000 0.850 1011 L CB -0.065 41.917 42.059 -0.127 0.000 0.966 1011 L HN 0.317 nan 8.230 nan 0.000 0.454 1012 H N -0.241 118.843 119.070 0.023 0.000 2.439 1012 H HA 0.297 4.851 4.556 -0.004 0.000 0.230 1012 H C -2.263 173.066 175.328 0.002 0.000 1.420 1012 H CA -1.673 54.394 56.048 0.030 0.000 1.305 1012 H CB 0.271 30.054 29.762 0.035 0.000 1.667 1012 H HN 0.041 nan 8.280 nan 0.000 0.515 1013 P HA 0.091 nan 4.420 nan 0.000 0.271 1013 P C 0.316 177.608 177.300 -0.014 0.000 1.218 1013 P CA -0.324 62.769 63.100 -0.011 0.000 0.780 1013 P CB 1.624 33.293 31.700 -0.052 0.000 0.901 1014 K N 1.055 121.439 120.400 -0.027 0.000 2.380 1014 K HA 0.501 4.818 4.320 -0.004 0.000 0.267 1014 K C 0.565 177.134 176.600 -0.053 0.000 0.990 1014 K CA 0.365 56.631 56.287 -0.035 0.000 0.946 1014 K CB -0.038 32.443 32.500 -0.033 0.000 0.937 1014 K HN 0.877 nan 8.250 nan 0.000 0.491 1015 G N 1.865 110.632 108.800 -0.054 0.000 2.379 1015 G HA2 -0.072 3.886 3.960 -0.004 0.000 0.609 1015 G HA3 -0.072 3.886 3.960 -0.004 0.000 0.609 1015 G C -1.574 173.292 174.900 -0.058 0.000 1.484 1015 G CA -1.057 44.020 45.100 -0.038 0.000 0.921 1015 G HN 0.504 nan 8.290 nan 0.000 0.658 1016 D N 1.160 121.555 120.400 -0.009 0.000 2.372 1016 D HA 0.288 4.926 4.640 -0.004 0.000 0.243 1016 D C 0.768 177.090 176.300 0.035 0.000 1.121 1016 D CA 0.183 54.165 54.000 -0.031 0.000 0.898 1016 D CB 0.402 41.211 40.800 0.015 0.000 1.202 1016 D HN 0.343 nan 8.370 nan 0.000 0.428 1017 H N 0.068 119.183 119.070 0.074 0.000 2.771 1017 H HA 0.130 4.684 4.556 -0.004 0.000 0.364 1017 H C -0.143 175.177 175.328 -0.013 0.000 1.133 1017 H CA -0.037 56.041 56.048 0.051 0.000 1.423 1017 H CB 0.597 30.364 29.762 0.008 0.000 1.425 1017 H HN -0.032 nan 8.280 nan 0.000 0.606 1018 V N 4.867 124.823 119.914 0.069 0.000 2.350 1018 V HA 0.010 4.128 4.120 -0.004 0.000 0.276 1018 V C 1.108 177.209 176.094 0.011 0.000 1.028 1018 V CA -0.509 61.796 62.300 0.009 0.000 0.860 1018 V CB 0.790 32.562 31.823 -0.085 0.000 0.990 1018 V HN 0.747 nan 8.190 nan 0.000 0.453 1019 L N 6.157 127.410 121.223 0.050 0.000 3.742 1019 L HA -0.274 4.063 4.340 -0.004 0.000 0.431 1019 L C 1.060 178.053 176.870 0.205 0.000 1.220 1019 L CA 0.613 55.525 54.840 0.120 0.000 0.863 1019 L CB -1.536 40.560 42.059 0.061 0.000 1.751 1019 L HN 1.103 nan 8.230 nan 0.000 0.922 1020 H N -2.500 116.600 119.070 0.050 0.000 3.141 1020 H HA -0.174 4.379 4.556 -0.004 0.000 0.260 1020 H C 1.117 176.409 175.328 -0.060 0.000 1.132 1020 H CA 1.159 57.221 56.048 0.023 0.000 1.171 1020 H CB -1.051 28.720 29.762 0.015 0.000 1.274 1020 H HN 0.502 nan 8.280 nan 0.000 0.329 1021 S N -0.351 115.362 115.700 0.023 0.000 2.525 1021 S HA -0.048 4.420 4.470 -0.004 0.000 0.285 1021 S C 1.604 176.144 174.600 -0.099 0.000 1.283 1021 S CA 0.153 58.338 58.200 -0.024 0.000 1.072 1021 S CB 0.562 63.730 63.200 -0.053 0.000 0.867 1021 S HN 0.572 nan 8.310 nan 0.000 0.492 1022 H N 4.047 123.015 119.070 -0.169 0.000 2.293 1022 H HA 0.036 4.589 4.556 -0.004 0.000 0.300 1022 H C 0.967 176.279 175.328 -0.027 0.000 1.082 1022 H CA 1.118 57.053 56.048 -0.188 0.000 1.308 1022 H CB -0.205 29.499 29.762 -0.096 0.000 1.375 1022 H HN 0.727 nan 8.280 nan 0.000 0.495 1023 A N 0.576 123.340 122.820 -0.094 0.000 2.388 1023 A HA 0.129 4.447 4.320 -0.004 0.000 0.257 1023 A C -0.982 176.656 177.584 0.090 0.000 1.095 1023 A CA -0.306 51.715 52.037 -0.027 0.000 0.791 1023 A CB -0.279 18.774 19.000 0.088 0.000 1.029 1023 A HN 0.523 nan 8.150 nan 0.000 0.489 1024 Y N 3.319 123.675 120.300 0.093 0.000 2.544 1024 Y HA 0.311 4.859 4.550 -0.004 0.000 0.330 1024 Y C -1.837 174.172 175.900 0.181 0.000 1.136 1024 Y CA -1.061 57.135 58.100 0.160 0.000 1.417 1024 Y CB 0.310 38.869 38.460 0.165 0.000 1.229 1024 Y HN 0.514 nan 8.280 nan 0.000 0.532 1025 P HA 0.132 nan 4.420 nan 0.000 0.272 1025 P C -0.885 176.421 177.300 0.010 0.000 1.230 1025 P CA -0.028 62.962 63.100 -0.184 0.000 0.788 1025 P CB 0.635 32.057 31.700 -0.463 0.000 0.949 1026 I N 1.660 122.148 120.570 -0.138 0.000 2.301 1026 I HA 0.171 4.339 4.170 -0.004 0.000 0.292 1026 I C 0.061 176.105 176.117 -0.121 0.000 1.046 1026 I CA -0.231 61.038 61.300 -0.052 0.000 1.282 1026 I CB -0.170 37.693 38.000 -0.228 0.000 1.409 1026 I HN 0.222 nan 8.210 nan 0.000 0.484 1027 F N 4.845 124.804 119.950 0.015 0.000 2.626 1027 F HA 0.141 4.665 4.527 -0.003 0.000 0.353 1027 F C 1.117 176.877 175.800 -0.067 0.000 1.230 1027 F CA -0.376 57.611 58.000 -0.021 0.000 1.298 1027 F CB 0.033 39.068 39.000 0.058 0.000 1.670 1027 F HN 0.477 nan 8.300 nan 0.000 0.633 1028 Q N 2.416 122.201 119.800 -0.024 0.000 2.613 1028 Q HA 0.135 4.473 4.340 -0.004 0.000 0.228 1028 Q C -0.223 175.722 176.000 -0.092 0.000 1.318 1028 Q CA 0.225 55.994 55.803 -0.057 0.000 0.907 1028 Q CB 0.057 28.740 28.738 -0.092 0.000 1.593 1028 Q HN 0.425 nan 8.270 nan 0.000 0.559 1029 T N -0.055 114.437 114.554 -0.103 0.000 2.894 1029 T HA 0.460 4.807 4.350 -0.004 0.000 0.309 1029 T C 0.537 175.103 174.700 -0.224 0.000 1.208 1029 T CA 0.071 62.051 62.100 -0.200 0.000 1.016 1029 T CB 1.169 69.823 68.868 -0.357 0.000 1.192 1029 T HN 0.447 nan 8.240 nan 0.000 0.491 1030 S N 1.856 117.417 115.700 -0.232 0.000 2.452 1030 S HA 0.263 4.730 4.470 -0.004 0.000 0.225 1030 S C 1.018 175.451 174.600 -0.280 0.000 1.057 1030 S CA 0.272 58.299 58.200 -0.288 0.000 0.949 1030 S CB -0.093 63.007 63.200 -0.167 0.000 0.836 1030 S HN 0.690 nan 8.310 nan 0.000 0.518 1031 T N 0.545 115.004 114.554 -0.158 0.000 2.938 1031 T HA 0.722 5.070 4.350 -0.004 0.000 0.285 1031 T C -1.794 172.732 174.700 -0.289 0.000 1.028 1031 T CA -0.714 61.393 62.100 0.011 0.000 1.005 1031 T CB 0.815 69.768 68.868 0.142 0.000 1.157 1031 T HN 0.216 nan 8.240 nan 0.000 0.550 1032 F N 0.148 120.077 119.950 -0.035 0.000 2.588 1032 F HA 0.548 5.074 4.527 -0.002 0.000 0.314 1032 F C 0.036 175.706 175.800 -0.217 0.000 1.069 1032 F CA -0.804 57.160 58.000 -0.059 0.000 0.931 1032 F CB 1.404 40.415 39.000 0.019 0.000 1.260 1032 F HN 0.500 nan 8.300 nan 0.000 0.465 1033 C N 2.107 121.441 119.300 0.056 0.000 2.401 1033 C HA 0.591 5.049 4.460 -0.004 0.000 0.365 1033 C C -0.430 174.596 174.990 0.059 0.000 1.250 1033 C CA -0.744 58.247 59.018 -0.045 0.000 2.131 1033 C CB -0.225 27.539 27.740 0.040 0.000 2.445 1033 C HN 0.395 nan 8.230 nan 0.000 0.550 1034 F N 1.432 121.458 119.950 0.127 0.000 2.425 1034 F HA 0.293 4.818 4.527 -0.003 0.000 0.331 1034 F C 1.352 177.200 175.800 0.080 0.000 1.085 1034 F CA -0.776 57.287 58.000 0.104 0.000 1.028 1034 F CB 0.520 39.583 39.000 0.106 0.000 1.177 1034 F HN 0.561 nan 8.300 nan 0.000 0.487 1035 D N 0.135 120.698 120.400 0.271 0.000 2.183 1035 D HA -0.017 4.621 4.640 -0.004 0.000 0.203 1035 D C 0.425 176.805 176.300 0.132 0.000 0.969 1035 D CA 1.149 55.244 54.000 0.158 0.000 0.842 1035 D CB 0.219 41.086 40.800 0.111 0.000 0.957 1035 D HN 0.438 nan 8.370 nan 0.000 0.484 1036 S N -2.762 113.022 115.700 0.140 0.000 2.595 1036 S HA 0.176 4.644 4.470 -0.004 0.000 0.270 1036 S C 0.634 175.279 174.600 0.074 0.000 1.145 1036 S CA -0.289 57.966 58.200 0.090 0.000 0.825 1036 S CB 1.594 64.822 63.200 0.046 0.000 1.107 1036 S HN -0.108 nan 8.310 nan 0.000 0.461 1037 T N -0.035 114.552 114.554 0.055 0.000 2.788 1037 T HA -0.173 4.175 4.350 -0.004 0.000 0.268 1037 T C 1.658 176.331 174.700 -0.046 0.000 1.044 1037 T CA 2.481 64.597 62.100 0.027 0.000 1.139 1037 T CB -0.563 68.324 68.868 0.031 0.000 0.867 1037 T HN 0.626 nan 8.240 nan 0.000 0.454 1038 Q N 0.687 120.464 119.800 -0.038 0.000 2.016 1038 Q HA -0.075 4.262 4.340 -0.004 0.000 0.200 1038 Q C 2.423 178.362 176.000 -0.101 0.000 0.978 1038 Q CA 1.864 57.632 55.803 -0.057 0.000 0.833 1038 Q CB -0.615 28.103 28.738 -0.033 0.000 0.895 1038 Q HN 0.574 nan 8.270 nan 0.000 0.427 1039 Q N -0.713 119.030 119.800 -0.095 0.000 2.112 1039 Q HA -0.158 4.180 4.340 -0.004 0.000 0.206 1039 Q C 1.810 177.620 176.000 -0.317 0.000 0.987 1039 Q CA 1.949 57.676 55.803 -0.128 0.000 0.858 1039 Q CB -0.588 28.124 28.738 -0.043 0.000 0.905 1039 Q HN 0.533 nan 8.270 nan 0.000 0.420 1040 G N 0.235 108.687 108.800 -0.580 0.000 2.402 1040 G HA2 -0.161 3.797 3.960 -0.004 0.000 0.216 1040 G HA3 -0.161 3.797 3.960 -0.004 0.000 0.216 1040 G C 1.555 176.119 174.900 -0.559 0.000 1.162 1040 G CA 1.193 45.445 45.100 -1.413 0.000 0.777 1040 G HN 0.519 nan 8.290 nan 0.000 0.539 1041 A N 1.289 123.954 122.820 -0.258 0.000 1.883 1041 A HA -0.119 4.198 4.320 -0.004 0.000 0.217 1041 A C 2.102 179.658 177.584 -0.046 0.000 1.186 1041 A CA 2.269 54.255 52.037 -0.086 0.000 0.624 1041 A CB -0.579 18.377 19.000 -0.074 0.000 0.822 1041 A HN 0.286 nan 8.150 nan 0.000 0.444 1042 D N -0.022 120.320 120.400 -0.097 0.000 2.104 1042 D HA -0.136 4.502 4.640 -0.004 0.000 0.194 1042 D C 1.912 178.164 176.300 -0.081 0.000 0.994 1042 D CA 1.078 55.032 54.000 -0.077 0.000 0.830 1042 D CB -0.373 40.377 40.800 -0.084 0.000 0.959 1042 D HN 0.450 nan 8.370 nan 0.000 0.452 1043 L N -0.624 120.513 121.223 -0.143 0.000 2.083 1043 L HA -0.139 4.199 4.340 -0.004 0.000 0.209 1043 L C 2.278 179.057 176.870 -0.152 0.000 1.083 1043 L CA 0.727 55.464 54.840 -0.172 0.000 0.752 1043 L CB -0.346 41.575 42.059 -0.231 0.000 0.899 1043 L HN 0.006 nan 8.230 nan 0.000 0.433 1044 F N -0.656 119.225 119.950 -0.115 0.000 2.293 1044 F HA -0.153 4.372 4.527 -0.004 0.000 0.300 1044 F C 2.285 178.049 175.800 -0.060 0.000 1.086 1044 F CA 1.013 58.977 58.000 -0.060 0.000 1.375 1044 F CB -0.119 38.851 39.000 -0.051 0.000 1.045 1044 F HN 0.026 nan 8.300 nan 0.000 0.516 1045 M N -0.700 118.951 119.600 0.085 0.000 2.563 1045 M HA 0.204 4.682 4.480 -0.004 0.000 0.231 1045 M C 1.397 177.685 176.300 -0.020 0.000 1.136 1045 M CA 0.615 55.928 55.300 0.022 0.000 1.026 1045 M CB -0.133 32.468 32.600 0.002 0.000 1.597 1045 M HN 0.238 nan 8.290 nan 0.000 0.495 1046 G N 1.836 110.610 108.800 -0.044 0.000 2.153 1046 G HA2 -0.287 3.670 3.960 -0.004 0.000 0.252 1046 G HA3 -0.287 3.670 3.960 -0.004 0.000 0.252 1046 G C 0.012 174.871 174.900 -0.069 0.000 0.994 1046 G CA 0.238 45.297 45.100 -0.068 0.000 0.698 1046 G HN 0.470 nan 8.290 nan 0.000 0.521 1047 K N 0.365 120.725 120.400 -0.066 0.000 2.185 1047 K HA 0.583 4.901 4.320 -0.004 0.000 0.269 1047 K C 0.852 177.406 176.600 -0.077 0.000 0.987 1047 K CA 0.508 56.757 56.287 -0.063 0.000 0.865 1047 K CB 0.857 33.327 32.500 -0.050 0.000 1.090 1047 K HN 1.569 nan 8.250 nan 0.000 0.450 1048 G N 2.317 111.074 108.800 -0.071 0.000 2.756 1048 G HA2 -0.151 3.806 3.960 -0.004 0.000 0.678 1048 G HA3 -0.151 3.806 3.960 -0.004 0.000 0.678 1048 G C -1.319 173.523 174.900 -0.098 0.000 1.349 1048 G CA -0.853 44.202 45.100 -0.074 0.000 0.847 1048 G HN 0.513 nan 8.290 nan 0.000 0.548 1049 E N 0.330 120.474 120.200 -0.093 0.000 2.179 1049 E HA 0.748 5.096 4.350 -0.004 0.000 0.275 1049 E C 0.704 177.219 176.600 -0.141 0.000 0.945 1049 E CA 0.569 56.894 56.400 -0.125 0.000 0.792 1049 E CB 1.311 30.960 29.700 -0.086 0.000 1.125 1049 E HN 2.079 nan 8.360 nan 0.000 0.397 1050 G N 1.898 110.540 108.800 -0.264 0.000 2.369 1050 G HA2 0.126 4.084 3.960 -0.004 0.000 0.293 1050 G HA3 0.126 4.084 3.960 -0.004 0.000 0.293 1050 G C -1.598 172.959 174.900 -0.571 0.000 1.301 1050 G CA -0.977 43.958 45.100 -0.275 0.000 0.913 1050 G HN 0.512 nan 8.290 nan 0.000 0.540 1051 H N -1.519 117.369 119.070 -0.304 0.000 2.731 1051 H HA 0.778 5.332 4.556 -0.004 0.000 0.368 1051 H C 0.984 176.149 175.328 -0.273 0.000 1.168 1051 H CA -0.634 55.068 56.048 -0.576 0.000 1.181 1051 H CB 2.204 31.075 29.762 -1.485 0.000 1.743 1051 H HN 0.370 nan 8.280 nan 0.000 0.547 1052 I N -0.554 119.979 120.570 -0.062 0.000 3.739 1052 I HA 0.173 4.341 4.170 -0.004 0.000 0.272 1052 I C -0.957 175.404 176.117 0.407 0.000 1.167 1052 I CA 0.043 61.452 61.300 0.183 0.000 1.386 1052 I CB 0.922 38.877 38.000 -0.075 0.000 1.490 1052 I HN 0.367 nan 8.210 nan 0.000 0.452 1053 Y N -0.279 120.152 120.300 0.219 0.000 2.465 1053 Y HA 0.222 4.770 4.550 -0.004 0.000 0.323 1053 Y C 0.611 176.648 175.900 0.230 0.000 1.191 1053 Y CA -0.878 57.376 58.100 0.258 0.000 1.082 1053 Y CB 1.547 40.093 38.460 0.143 0.000 1.334 1053 Y HN -0.174 nan 8.280 nan 0.000 0.449 1054 S N 3.168 118.768 115.700 -0.166 0.000 2.399 1054 S HA -0.150 4.318 4.470 -0.004 0.000 0.231 1054 S C 1.897 176.453 174.600 -0.073 0.000 1.022 1054 S CA 1.587 59.749 58.200 -0.064 0.000 0.983 1054 S CB -0.169 62.955 63.200 -0.126 0.000 0.803 1054 S HN 0.717 nan 8.310 nan 0.000 0.480 1055 R N 0.908 121.335 120.500 -0.121 0.000 2.105 1055 R HA -0.026 4.312 4.340 -0.004 0.000 0.239 1055 R C 1.812 178.182 176.300 0.116 0.000 1.135 1055 R CA 1.192 57.339 56.100 0.079 0.000 0.967 1055 R CB -0.226 30.225 30.300 0.251 0.000 0.861 1055 R HN 0.378 nan 8.270 nan 0.000 0.442 1056 L N -1.366 119.955 121.223 0.164 0.000 2.249 1056 L HA 0.270 4.608 4.340 -0.004 0.000 0.207 1056 L C 0.864 177.756 176.870 0.036 0.000 1.090 1056 L CA 0.397 55.294 54.840 0.095 0.000 0.802 1056 L CB 0.249 42.351 42.059 0.071 0.000 0.947 1056 L HN 0.331 nan 8.230 nan 0.000 0.453 1057 G N 0.046 108.875 108.800 0.048 0.000 2.476 1057 G HA2 0.139 4.097 3.960 -0.004 0.000 0.309 1057 G HA3 0.139 4.097 3.960 -0.004 0.000 0.309 1057 G C -2.050 172.889 174.900 0.066 0.000 1.575 1057 G CA -0.549 44.577 45.100 0.044 0.000 0.913 1057 G HN -0.067 nan 8.290 nan 0.000 0.623 1058 N N 2.785 121.497 118.700 0.021 0.000 2.296 1058 N HA 0.484 5.221 4.740 -0.004 0.000 0.294 1058 N C -2.031 173.403 175.510 -0.126 0.000 1.033 1058 N CA -1.943 51.095 53.050 -0.019 0.000 0.839 1058 N CB 3.548 42.071 38.487 0.060 0.000 1.395 1058 N HN 0.054 nan 8.380 nan 0.000 0.479 1059 P HA -0.056 nan 4.420 nan 0.000 0.215 1059 P C 1.061 178.354 177.300 -0.013 0.000 1.153 1059 P CA 1.575 64.476 63.100 -0.332 0.000 0.853 1059 P CB 0.225 31.436 31.700 -0.814 0.000 0.788 1060 T N -0.698 113.982 114.554 0.209 0.000 2.746 1060 T HA -0.081 4.266 4.350 -0.004 0.000 0.267 1060 T C 1.864 176.626 174.700 0.104 0.000 1.039 1060 T CA 1.207 63.473 62.100 0.276 0.000 1.142 1060 T CB -1.020 68.083 68.868 0.391 0.000 0.866 1060 T HN -0.099 nan 8.240 nan 0.000 0.444 1061 V N 1.575 121.540 119.914 0.084 0.000 2.358 1061 V HA -0.151 3.967 4.120 -0.004 0.000 0.246 1061 V C 2.461 178.591 176.094 0.060 0.000 1.047 1061 V CA 1.602 63.953 62.300 0.085 0.000 1.035 1061 V CB -0.658 31.197 31.823 0.052 0.000 0.658 1061 V HN 0.523 nan 8.190 nan 0.000 0.452 1062 E N -0.368 119.827 120.200 -0.008 0.000 2.130 1062 E HA -0.272 4.076 4.350 -0.004 0.000 0.196 1062 E C 2.376 178.914 176.600 -0.103 0.000 0.998 1062 E CA 1.247 57.619 56.400 -0.048 0.000 0.806 1062 E CB -0.186 29.493 29.700 -0.036 0.000 0.738 1062 E HN 0.539 nan 8.360 nan 0.000 0.459 1063 Q N -0.158 119.529 119.800 -0.188 0.000 2.096 1063 Q HA -0.184 4.154 4.340 -0.004 0.000 0.204 1063 Q C 2.062 178.002 176.000 -0.100 0.000 0.982 1063 Q CA 1.243 56.891 55.803 -0.259 0.000 0.850 1063 Q CB -0.259 28.162 28.738 -0.529 0.000 0.901 1063 Q HN 0.357 nan 8.270 nan 0.000 0.422 1064 F N 1.663 121.534 119.950 -0.132 0.000 2.146 1064 F HA -0.165 4.359 4.527 -0.004 0.000 0.298 1064 F C 2.007 177.767 175.800 -0.067 0.000 1.096 1064 F CA 1.338 59.287 58.000 -0.085 0.000 1.275 1064 F CB 0.117 39.085 39.000 -0.054 0.000 1.008 1064 F HN 0.077 nan 8.300 nan 0.000 0.480 1065 E N -0.025 120.059 120.200 -0.194 0.000 2.085 1065 E HA -0.306 4.042 4.350 -0.004 0.000 0.194 1065 E C 2.001 178.451 176.600 -0.249 0.000 0.994 1065 E CA 1.548 57.797 56.400 -0.253 0.000 0.801 1065 E CB -0.256 29.384 29.700 -0.099 0.000 0.743 1065 E HN 0.466 nan 8.360 nan 0.000 0.453 1066 E N 0.911 121.000 120.200 -0.185 0.000 2.106 1066 E HA -0.176 4.172 4.350 -0.004 0.000 0.192 1066 E C 1.904 178.400 176.600 -0.172 0.000 0.984 1066 E CA 1.300 57.610 56.400 -0.150 0.000 0.806 1066 E CB -0.114 29.513 29.700 -0.122 0.000 0.750 1066 E HN 0.215 nan 8.360 nan 0.000 0.458 1067 M N -0.393 119.077 119.600 -0.216 0.000 2.080 1067 M HA -0.164 4.314 4.480 -0.004 0.000 0.260 1067 M C 2.197 178.349 176.300 -0.246 0.000 1.068 1067 M CA 1.484 56.663 55.300 -0.203 0.000 1.109 1067 M CB -0.269 32.224 32.600 -0.179 0.000 1.342 1067 M HN 0.050 nan 8.290 nan 0.000 0.405 1068 V N -0.399 119.275 119.914 -0.399 0.000 2.295 1068 V HA -0.313 3.804 4.120 -0.004 0.000 0.246 1068 V C 2.487 178.478 176.094 -0.172 0.000 1.049 1068 V CA 1.899 64.002 62.300 -0.328 0.000 1.024 1068 V CB -0.774 30.783 31.823 -0.444 0.000 0.648 1068 V HN 0.700 nan 8.190 nan 0.000 0.447 1069 C N 1.052 120.259 119.300 -0.154 0.000 2.413 1069 C HA -0.178 4.279 4.460 -0.004 0.000 0.276 1069 C C 3.395 178.344 174.990 -0.068 0.000 1.248 1069 C CA 1.701 60.668 59.018 -0.084 0.000 1.742 1069 C CB -1.131 26.563 27.740 -0.077 0.000 2.017 1069 C HN 0.788 nan 8.230 nan 0.000 0.481 1070 S N 0.033 115.683 115.700 -0.082 0.000 2.382 1070 S HA -0.179 4.289 4.470 -0.004 0.000 0.228 1070 S C 1.842 176.411 174.600 -0.052 0.000 1.027 1070 S CA 1.816 59.980 58.200 -0.060 0.000 0.991 1070 S CB -0.783 62.381 63.200 -0.060 0.000 0.823 1070 S HN 0.769 nan 8.310 nan 0.000 0.469 1071 I N 0.802 121.331 120.570 -0.068 0.000 2.852 1071 I HA 0.036 4.203 4.170 -0.004 0.000 0.264 1071 I C 2.006 178.102 176.117 -0.034 0.000 1.179 1071 I CA 0.833 62.099 61.300 -0.057 0.000 1.480 1071 I CB -0.026 37.925 38.000 -0.082 0.000 1.111 1071 I HN 0.186 nan 8.210 nan 0.000 0.441 1072 E N 1.086 121.270 120.200 -0.026 0.000 2.358 1072 E HA -0.003 4.345 4.350 -0.004 0.000 0.195 1072 E C 1.418 178.022 176.600 0.007 0.000 1.010 1072 E CA 0.846 57.252 56.400 0.010 0.000 0.856 1072 E CB -0.096 29.624 29.700 0.032 0.000 0.795 1072 E HN 0.621 nan 8.360 nan 0.000 0.504 1073 G N 1.648 110.444 108.800 -0.007 0.000 2.198 1073 G HA2 -0.269 3.689 3.960 -0.004 0.000 0.257 1073 G HA3 -0.269 3.689 3.960 -0.004 0.000 0.257 1073 G C 0.363 175.262 174.900 -0.001 0.000 1.042 1073 G CA 0.376 45.473 45.100 -0.005 0.000 0.791 1073 G HN 0.503 nan 8.290 nan 0.000 0.502 1074 A N -0.713 122.106 122.820 -0.001 0.000 2.257 1074 A HA 0.925 5.242 4.320 -0.004 0.000 0.289 1074 A C 1.642 179.227 177.584 0.002 0.000 1.095 1074 A CA 0.609 52.651 52.037 0.007 0.000 0.836 1074 A CB 0.663 19.674 19.000 0.017 0.000 1.111 1074 A HN 1.669 nan 8.150 nan 0.000 0.497 1075 A N -0.477 122.349 122.820 0.010 0.000 2.067 1075 A HA 0.476 4.793 4.320 -0.004 0.000 0.217 1075 A C 1.086 178.674 177.584 0.006 0.000 1.156 1075 A CA 1.454 53.495 52.037 0.007 0.000 0.683 1075 A CB -0.463 18.546 19.000 0.014 0.000 0.808 1075 A HN 2.200 nan 8.150 nan 0.000 0.455 1076 G N -2.243 106.565 108.800 0.014 0.000 2.556 1076 G HA2 0.482 4.439 3.960 -0.004 0.000 0.294 1076 G HA3 0.482 4.439 3.960 -0.004 0.000 0.294 1076 G C -1.159 173.755 174.900 0.023 0.000 1.516 1076 G CA -0.010 45.096 45.100 0.009 0.000 0.824 1076 G HN 0.242 nan 8.290 nan 0.000 0.535 1077 S N -1.045 114.655 115.700 0.001 0.000 2.566 1077 S HA 0.907 5.374 4.470 -0.004 0.000 0.298 1077 S C -0.125 174.483 174.600 0.013 0.000 1.083 1077 S CA -0.158 58.053 58.200 0.018 0.000 0.978 1077 S CB 1.905 65.078 63.200 -0.045 0.000 1.073 1077 S HN 1.682 nan 8.310 nan 0.000 0.491 1078 A N 1.157 124.011 122.820 0.057 0.000 2.356 1078 A HA 0.852 5.169 4.320 -0.004 0.000 0.310 1078 A C -0.349 177.127 177.584 -0.180 0.000 1.075 1078 A CA -0.710 51.277 52.037 -0.083 0.000 0.746 1078 A CB 0.971 19.937 19.000 -0.058 0.000 1.221 1078 A HN 1.016 nan 8.150 nan 0.000 0.443 1079 A N 1.543 124.202 122.820 -0.268 0.000 2.295 1079 A HA 0.917 5.235 4.320 -0.004 0.000 0.318 1079 A C -0.818 176.483 177.584 -0.473 0.000 1.134 1079 A CA -0.236 51.740 52.037 -0.101 0.000 0.827 1079 A CB 0.290 19.387 19.000 0.162 0.000 1.136 1079 A HN 0.775 nan 8.150 nan 0.000 0.493 1080 F N -0.679 119.354 119.950 0.138 0.000 2.650 1080 F HA 0.531 5.056 4.527 -0.004 0.000 0.320 1080 F C 1.499 177.344 175.800 0.074 0.000 1.091 1080 F CA -0.060 58.002 58.000 0.102 0.000 0.962 1080 F CB 1.813 40.879 39.000 0.110 0.000 1.363 1080 F HN 0.623 nan 8.300 nan 0.000 0.482 1081 G N -0.251 108.699 108.800 0.251 0.000 2.509 1081 G HA2 0.235 4.193 3.960 -0.004 0.000 0.218 1081 G HA3 0.235 4.193 3.960 -0.004 0.000 0.218 1081 G C -0.131 174.846 174.900 0.129 0.000 1.124 1081 G CA 0.966 46.152 45.100 0.143 0.000 0.776 1081 G HN 0.629 nan 8.290 nan 0.000 0.547 1082 S N -3.442 112.358 115.700 0.167 0.000 2.587 1082 S HA 0.521 4.989 4.470 -0.004 0.000 0.269 1082 S C 1.035 175.700 174.600 0.109 0.000 1.154 1082 S CA 0.108 58.373 58.200 0.108 0.000 0.824 1082 S CB 1.088 64.332 63.200 0.074 0.000 1.118 1082 S HN 0.397 nan 8.310 nan 0.000 0.462 1083 G N 0.931 109.772 108.800 0.068 0.000 2.469 1083 G HA2 -0.194 3.764 3.960 -0.004 0.000 0.219 1083 G HA3 -0.194 3.764 3.960 -0.004 0.000 0.219 1083 G C 1.158 176.057 174.900 -0.001 0.000 1.150 1083 G CA 1.338 46.462 45.100 0.039 0.000 0.763 1083 G HN 0.561 nan 8.290 nan 0.000 0.561 1084 M N 1.141 120.749 119.600 0.012 0.000 2.149 1084 M HA -0.006 4.472 4.480 -0.004 0.000 0.261 1084 M C 2.777 179.052 176.300 -0.042 0.000 1.064 1084 M CA 1.117 56.422 55.300 0.007 0.000 1.102 1084 M CB -1.716 30.913 32.600 0.047 0.000 1.369 1084 M HN 0.271 nan 8.290 nan 0.000 0.408 1085 G N -0.319 108.461 108.800 -0.034 0.000 2.418 1085 G HA2 -0.050 3.908 3.960 -0.004 0.000 0.217 1085 G HA3 -0.050 3.908 3.960 -0.004 0.000 0.217 1085 G C 1.670 176.265 174.900 -0.509 0.000 1.158 1085 G CA 1.134 46.186 45.100 -0.081 0.000 0.771 1085 G HN 0.548 nan 8.290 nan 0.000 0.545 1086 A N 0.558 123.042 122.820 -0.559 0.000 1.930 1086 A HA 0.105 4.423 4.320 -0.004 0.000 0.217 1086 A C 2.392 179.723 177.584 -0.423 0.000 1.175 1086 A CA 1.164 52.670 52.037 -0.886 0.000 0.627 1086 A CB -0.292 18.571 19.000 -0.229 0.000 0.815 1086 A HN 0.377 nan 8.150 nan 0.000 0.443 1087 I N -0.703 119.765 120.570 -0.170 0.000 2.163 1087 I HA -0.197 3.971 4.170 -0.004 0.000 0.240 1087 I C 2.734 178.834 176.117 -0.029 0.000 1.081 1087 I CA 1.299 62.592 61.300 -0.012 0.000 1.353 1087 I CB -0.361 37.645 38.000 0.011 0.000 1.054 1087 I HN 0.216 nan 8.210 nan 0.000 0.407 1088 S N 0.484 116.144 115.700 -0.066 0.000 2.365 1088 S HA -0.206 4.261 4.470 -0.004 0.000 0.225 1088 S C 2.117 176.599 174.600 -0.196 0.000 1.039 1088 S CA 2.039 60.215 58.200 -0.041 0.000 1.033 1088 S CB -0.238 62.979 63.200 0.028 0.000 0.887 1088 S HN 0.402 nan 8.310 nan 0.000 0.447 1089 S N 0.788 116.343 115.700 -0.241 0.000 2.489 1089 S HA 0.084 4.552 4.470 -0.004 0.000 0.228 1089 S C 1.795 176.230 174.600 -0.275 0.000 0.995 1089 S CA 0.411 58.410 58.200 -0.336 0.000 0.934 1089 S CB -0.024 63.164 63.200 -0.019 0.000 0.771 1089 S HN 0.399 nan 8.310 nan 0.000 0.522 1090 S N 0.855 116.489 115.700 -0.111 0.000 2.548 1090 S HA 0.029 4.497 4.470 -0.004 0.000 0.215 1090 S C 1.948 176.680 174.600 0.220 0.000 0.976 1090 S CA 0.856 59.133 58.200 0.127 0.000 0.908 1090 S CB 0.106 63.397 63.200 0.151 0.000 0.781 1090 S HN 0.825 nan 8.310 nan 0.000 0.519 1091 T N -0.332 114.261 114.554 0.064 0.000 3.151 1091 T HA 0.287 4.634 4.350 -0.004 0.000 0.239 1091 T C 1.605 176.283 174.700 -0.037 0.000 0.979 1091 T CA -0.128 62.026 62.100 0.090 0.000 1.194 1091 T CB -0.632 68.286 68.868 0.083 0.000 0.982 1091 T HN 0.192 nan 8.240 nan 0.000 0.428 1092 L N 1.559 122.648 121.223 -0.224 0.000 2.376 1092 L HA 0.247 4.585 4.340 -0.004 0.000 0.219 1092 L C 3.098 179.641 176.870 -0.545 0.000 1.133 1092 L CA 0.741 55.404 54.840 -0.296 0.000 0.816 1092 L CB -0.611 41.321 42.059 -0.212 0.000 0.933 1092 L HN 0.427 nan 8.230 nan 0.000 0.449 1093 A N -0.199 122.101 122.820 -0.867 0.000 2.070 1093 A HA -0.128 4.189 4.320 -0.004 0.000 0.220 1093 A C 1.807 178.958 177.584 -0.722 0.000 1.159 1093 A CA 1.509 53.057 52.037 -0.816 0.000 0.656 1093 A CB -0.375 18.084 19.000 -0.901 0.000 0.800 1093 A HN 0.412 nan 8.150 nan 0.000 0.453 1094 F N -1.272 118.623 119.950 -0.091 0.000 2.592 1094 F HA 0.350 4.874 4.527 -0.004 0.000 0.280 1094 F C 0.571 176.358 175.800 -0.022 0.000 1.083 1094 F CA -0.431 57.555 58.000 -0.024 0.000 1.365 1094 F CB 0.001 38.993 39.000 -0.014 0.000 1.100 1094 F HN -0.125 nan 8.300 nan 0.000 0.633 1095 L N 2.649 123.946 121.223 0.124 0.000 2.380 1095 L HA 0.265 4.603 4.340 -0.004 0.000 0.273 1095 L C -0.020 176.880 176.870 0.050 0.000 1.138 1095 L CA -0.126 54.754 54.840 0.065 0.000 0.832 1095 L CB 0.714 42.782 42.059 0.016 0.000 1.124 1095 L HN 0.242 nan 8.230 nan 0.000 0.454 1096 Q N 2.761 122.593 119.800 0.054 0.000 2.587 1096 Q HA 0.397 4.735 4.340 -0.004 0.000 0.293 1096 Q C -0.931 175.106 176.000 0.060 0.000 1.083 1096 Q CA -1.178 54.658 55.803 0.054 0.000 0.792 1096 Q CB 1.815 30.582 28.738 0.048 0.000 1.484 1096 Q HN 0.373 nan 8.270 nan 0.000 0.446 1097 K N -0.486 119.954 120.400 0.066 0.000 2.530 1097 K HA 0.078 4.395 4.320 -0.004 0.000 0.280 1097 K C 0.627 177.256 176.600 0.048 0.000 1.004 1097 K CA 1.857 58.184 56.287 0.066 0.000 1.071 1097 K CB -0.480 32.058 32.500 0.064 0.000 0.876 1097 K HN 0.912 nan 8.250 nan 0.000 0.487 1098 G N 3.109 111.934 108.800 0.041 0.000 2.241 1098 G HA2 -0.213 3.745 3.960 -0.004 0.000 0.244 1098 G HA3 -0.213 3.745 3.960 -0.004 0.000 0.244 1098 G C -0.301 174.621 174.900 0.035 0.000 0.998 1098 G CA 0.224 45.344 45.100 0.033 0.000 0.621 1098 G HN 0.725 nan 8.290 nan 0.000 0.519 1099 D N 0.273 120.697 120.400 0.039 0.000 2.357 1099 D HA 0.534 5.171 4.640 -0.004 0.000 0.242 1099 D C 0.267 176.598 176.300 0.052 0.000 1.153 1099 D CA 0.252 54.274 54.000 0.037 0.000 0.918 1099 D CB 0.932 41.745 40.800 0.022 0.000 1.181 1099 D HN 0.460 nan 8.370 nan 0.000 0.435 1100 H N 0.001 119.013 119.070 -0.097 0.000 2.495 1100 H HA 0.534 5.088 4.556 -0.004 0.000 0.348 1100 H C -1.582 173.623 175.328 -0.204 0.000 1.113 1100 H CA -0.946 55.015 56.048 -0.146 0.000 1.195 1100 H CB 0.954 30.623 29.762 -0.155 0.000 1.521 1100 H HN 0.173 nan 8.280 nan 0.000 0.509 1101 L N 5.932 126.759 121.223 -0.660 0.000 2.341 1101 L HA 0.523 4.861 4.340 -0.004 0.000 0.278 1101 L C -1.473 174.895 176.870 -0.837 0.000 1.005 1101 L CA -0.431 54.016 54.840 -0.656 0.000 0.818 1101 L CB 1.046 42.796 42.059 -0.515 0.000 1.259 1101 L HN 0.716 nan 8.230 nan 0.000 0.418 1102 I N 5.210 125.381 120.570 -0.664 0.000 2.321 1102 I HA 0.689 4.857 4.170 -0.004 0.000 0.291 1102 I C 0.005 175.987 176.117 -0.224 0.000 0.998 1102 I CA -0.398 60.649 61.300 -0.422 0.000 1.227 1102 I CB 1.501 39.285 38.000 -0.360 0.000 1.368 1102 I HN 0.833 nan 8.210 nan 0.000 0.466 1103 A N 4.611 127.362 122.820 -0.114 0.000 2.423 1103 A HA 0.807 5.125 4.320 -0.004 0.000 0.304 1103 A C 0.121 177.777 177.584 0.120 0.000 1.104 1103 A CA -0.626 51.456 52.037 0.075 0.000 0.757 1103 A CB 1.253 20.340 19.000 0.146 0.000 1.313 1103 A HN 0.762 nan 8.150 nan 0.000 0.423 1104 G N 0.202 109.113 108.800 0.184 0.000 2.474 1104 G HA2 0.288 4.246 3.960 -0.004 0.000 0.233 1104 G HA3 0.288 4.246 3.960 -0.004 0.000 0.233 1104 G C 0.251 175.226 174.900 0.125 0.000 1.278 1104 G CA 0.558 45.739 45.100 0.136 0.000 0.861 1104 G HN 0.852 nan 8.290 nan 0.000 0.567 1105 D N -1.302 119.148 120.400 0.084 0.000 2.355 1105 D HA -0.023 4.615 4.640 -0.004 0.000 0.218 1105 D C 1.164 177.503 176.300 0.065 0.000 1.004 1105 D CA 0.690 54.731 54.000 0.068 0.000 0.880 1105 D CB -0.029 40.798 40.800 0.046 0.000 0.911 1105 D HN 0.378 nan 8.370 nan 0.000 0.528 1106 T N -0.897 113.700 114.554 0.071 0.000 2.934 1106 T HA 0.640 4.987 4.350 -0.004 0.000 0.328 1106 T C -0.310 174.439 174.700 0.083 0.000 1.068 1106 T CA -0.862 61.276 62.100 0.062 0.000 1.018 1106 T CB 0.537 69.425 68.868 0.033 0.000 1.009 1106 T HN 0.038 nan 8.240 nan 0.000 0.471 1107 L N 2.004 123.294 121.223 0.112 0.000 2.327 1107 L HA 0.580 4.918 4.340 -0.004 0.000 0.258 1107 L C -0.321 176.648 176.870 0.165 0.000 1.024 1107 L CA -1.917 52.995 54.840 0.121 0.000 0.825 1107 L CB 1.403 43.513 42.059 0.084 0.000 1.386 1107 L HN 0.558 nan 8.230 nan 0.000 0.417 1108 Y N 0.993 121.299 120.300 0.010 0.000 2.969 1108 Y HA -0.071 4.477 4.550 -0.004 0.000 0.339 1108 Y C 1.303 177.075 175.900 -0.214 0.000 1.272 1108 Y CA 0.810 58.874 58.100 -0.059 0.000 1.577 1108 Y CB 0.962 39.389 38.460 -0.056 0.000 1.234 1108 Y HN 0.703 nan 8.280 nan 0.000 0.590 1109 G N 3.622 111.720 108.800 -1.171 0.000 2.529 1109 G HA2 -0.332 3.626 3.960 -0.004 0.000 0.219 1109 G HA3 -0.332 3.626 3.960 -0.004 0.000 0.219 1109 G C 1.511 175.984 174.900 -0.711 0.000 1.177 1109 G CA 1.221 45.755 45.100 -0.943 0.000 0.773 1109 G HN 0.813 nan 8.290 nan 0.000 0.573 1110 C N 0.452 119.190 119.300 -0.936 0.000 2.446 1110 C HA 0.072 4.529 4.460 -0.004 0.000 0.279 1110 C C 3.169 177.999 174.990 -0.267 0.000 1.366 1110 C CA 1.231 60.004 59.018 -0.409 0.000 1.763 1110 C CB -0.993 26.647 27.740 -0.165 0.000 1.929 1110 C HN 0.458 nan 8.230 nan 0.000 0.509 1111 T N 1.211 115.592 114.554 -0.289 0.000 2.777 1111 T HA -0.124 4.223 4.350 -0.004 0.000 0.266 1111 T C 1.886 176.227 174.700 -0.598 0.000 1.040 1111 T CA 1.486 63.290 62.100 -0.493 0.000 1.141 1111 T CB -0.252 68.361 68.868 -0.424 0.000 0.868 1111 T HN 0.384 nan 8.240 nan 0.000 0.444 1112 V N 1.350 121.052 119.914 -0.353 0.000 2.407 1112 V HA -0.167 3.951 4.120 -0.004 0.000 0.248 1112 V C 2.705 178.713 176.094 -0.143 0.000 1.055 1112 V CA 1.887 64.067 62.300 -0.199 0.000 1.049 1112 V CB -0.867 30.874 31.823 -0.136 0.000 0.662 1112 V HN 0.495 nan 8.190 nan 0.000 0.455 1113 S N -0.110 115.490 115.700 -0.166 0.000 2.356 1113 S HA -0.201 4.267 4.470 -0.004 0.000 0.223 1113 S C 1.979 176.605 174.600 0.043 0.000 1.032 1113 S CA 1.966 60.118 58.200 -0.079 0.000 1.005 1113 S CB -0.376 62.778 63.200 -0.078 0.000 0.867 1113 S HN 0.423 nan 8.310 nan 0.000 0.449 1114 L N 0.950 122.206 121.223 0.056 0.000 1.990 1114 L HA -0.029 4.309 4.340 -0.004 0.000 0.213 1114 L C 2.081 179.123 176.870 0.286 0.000 1.072 1114 L CA 2.083 57.058 54.840 0.224 0.000 0.755 1114 L CB -0.895 41.172 42.059 0.014 0.000 0.889 1114 L HN 0.516 nan 8.230 nan 0.000 0.432 1115 F N -1.181 118.756 119.950 -0.021 0.000 2.259 1115 F HA -0.150 4.375 4.527 -0.004 0.000 0.298 1115 F C 2.289 178.045 175.800 -0.074 0.000 1.088 1115 F CA 0.866 58.824 58.000 -0.071 0.000 1.358 1115 F CB -0.424 38.501 39.000 -0.126 0.000 1.040 1115 F HN 0.324 nan 8.300 nan 0.000 0.505 1116 T N -4.369 110.256 114.554 0.117 0.000 3.037 1116 T HA -0.058 4.290 4.350 -0.004 0.000 0.252 1116 T C 1.598 176.265 174.700 -0.055 0.000 1.073 1116 T CA 0.568 62.678 62.100 0.016 0.000 1.091 1116 T CB -0.278 68.590 68.868 0.000 0.000 0.935 1116 T HN 0.339 nan 8.240 nan 0.000 0.488 1117 H N -0.948 117.993 119.070 -0.214 0.000 2.422 1117 H HA 0.163 4.717 4.556 -0.004 0.000 0.303 1117 H C 1.448 176.449 175.328 -0.546 0.000 1.033 1117 H CA 0.462 56.235 56.048 -0.459 0.000 1.335 1117 H CB 0.139 29.488 29.762 -0.688 0.000 1.458 1117 H HN 0.428 nan 8.280 nan 0.000 0.556 1118 W N 1.299 122.487 121.300 -0.187 0.000 2.539 1118 W HA 0.064 4.721 4.660 -0.004 0.000 0.299 1118 W C 2.610 178.760 176.519 -0.615 0.000 1.165 1118 W CA -0.035 57.055 57.345 -0.425 0.000 1.400 1118 W CB -0.316 29.045 29.460 -0.164 0.000 1.123 1118 W HN 0.015 nan 8.180 nan 0.000 0.533 1119 L N 0.404 121.604 121.223 -0.037 0.000 1.997 1119 L HA -0.210 4.127 4.340 -0.004 0.000 0.216 1119 L C -0.437 176.358 176.870 -0.126 0.000 1.074 1119 L CA 1.712 56.535 54.840 -0.027 0.000 0.763 1119 L CB -2.542 39.536 42.059 0.031 0.000 0.890 1119 L HN -0.058 nan 8.230 nan 0.000 0.434 1120 P HA -0.135 nan 4.420 nan 0.000 0.220 1120 P C 1.432 178.617 177.300 -0.191 0.000 1.148 1120 P CA 1.278 64.291 63.100 -0.145 0.000 0.803 1120 P CB -0.086 31.523 31.700 -0.153 0.000 0.782 1121 R N -1.482 118.798 120.500 -0.367 0.000 2.189 1121 R HA 0.009 4.347 4.340 -0.004 0.000 0.223 1121 R C 1.254 177.472 176.300 -0.137 0.000 1.092 1121 R CA 0.907 56.799 56.100 -0.346 0.000 0.989 1121 R CB -0.521 29.470 30.300 -0.514 0.000 0.876 1121 R HN 0.307 nan 8.270 nan 0.000 0.457 1122 F N -0.394 119.579 119.950 0.039 0.000 2.645 1122 F HA 0.268 4.792 4.527 -0.004 0.000 0.300 1122 F C 1.337 177.150 175.800 0.021 0.000 1.115 1122 F CA -0.187 57.838 58.000 0.042 0.000 1.355 1122 F CB 0.863 39.900 39.000 0.062 0.000 1.026 1122 F HN 0.119 nan 8.300 nan 0.000 0.536 1123 G N 1.539 110.414 108.800 0.125 0.000 2.148 1123 G HA2 -0.326 3.632 3.960 -0.004 0.000 0.254 1123 G HA3 -0.326 3.632 3.960 -0.004 0.000 0.254 1123 G C 0.059 174.994 174.900 0.059 0.000 0.981 1123 G CA -0.214 44.931 45.100 0.075 0.000 0.670 1123 G HN 0.378 nan 8.290 nan 0.000 0.528 1124 I N 0.999 121.605 120.570 0.059 0.000 2.365 1124 I HA 0.337 4.505 4.170 -0.004 0.000 0.291 1124 I C 0.478 176.594 176.117 -0.002 0.000 1.004 1124 I CA -0.557 60.761 61.300 0.030 0.000 1.311 1124 I CB 1.113 39.131 38.000 0.031 0.000 1.401 1124 I HN 0.116 nan 8.210 nan 0.000 0.491 1125 E N 5.329 125.538 120.200 0.016 0.000 2.259 1125 E HA 0.487 4.835 4.350 -0.004 0.000 0.281 1125 E C -1.160 175.460 176.600 0.033 0.000 1.027 1125 E CA -0.520 55.911 56.400 0.052 0.000 0.838 1125 E CB 1.918 31.686 29.700 0.113 0.000 1.066 1125 E HN 0.253 nan 8.360 nan 0.000 0.401 1126 V N 3.393 123.307 119.914 -0.000 0.000 2.577 1126 V HA 0.265 4.383 4.120 -0.004 0.000 0.303 1126 V C -0.780 175.296 176.094 -0.030 0.000 1.042 1126 V CA -0.942 61.293 62.300 -0.108 0.000 0.872 1126 V CB 2.053 33.799 31.823 -0.129 0.000 0.998 1126 V HN 0.667 nan 8.190 nan 0.000 0.423 1127 D N 4.233 124.595 120.400 -0.063 0.000 2.505 1127 D HA 0.510 5.148 4.640 -0.004 0.000 0.249 1127 D C -0.683 175.603 176.300 -0.024 0.000 1.082 1127 D CA -0.291 53.714 54.000 0.008 0.000 0.839 1127 D CB 2.814 43.672 40.800 0.097 0.000 1.317 1127 D HN 0.341 nan 8.370 nan 0.000 0.497 1128 L N 3.314 124.544 121.223 0.012 0.000 2.260 1128 L HA 0.400 4.738 4.340 -0.004 0.000 0.289 1128 L C -0.176 176.714 176.870 0.034 0.000 1.057 1128 L CA -0.460 54.401 54.840 0.034 0.000 0.811 1128 L CB 0.742 42.832 42.059 0.051 0.000 1.184 1128 L HN 0.150 nan 8.230 nan 0.000 0.429 1129 I N 2.113 122.706 120.570 0.038 0.000 2.689 1129 I HA 0.192 4.359 4.170 -0.004 0.000 0.299 1129 I C -0.168 175.976 176.117 0.045 0.000 1.059 1129 I CA -0.692 60.631 61.300 0.039 0.000 1.055 1129 I CB 2.091 40.113 38.000 0.037 0.000 1.243 1129 I HN 0.472 nan 8.210 nan 0.000 0.425 1130 D N 3.084 123.508 120.400 0.040 0.000 2.367 1130 D HA 0.029 4.667 4.640 -0.004 0.000 0.255 1130 D C 1.206 177.531 176.300 0.043 0.000 1.300 1130 D CA 0.111 54.134 54.000 0.038 0.000 0.959 1130 D CB 0.565 41.382 40.800 0.028 0.000 1.064 1130 D HN 0.629 nan 8.370 nan 0.000 0.509 1131 T N -0.465 114.118 114.554 0.048 0.000 3.148 1131 T HA -0.096 4.251 4.350 -0.004 0.000 0.253 1131 T C 1.697 176.423 174.700 0.042 0.000 1.134 1131 T CA 0.503 62.633 62.100 0.050 0.000 1.051 1131 T CB -0.283 68.618 68.868 0.054 0.000 0.959 1131 T HN 0.251 nan 8.240 nan 0.000 0.525 1132 S N 0.380 116.102 115.700 0.036 0.000 2.515 1132 S HA -0.005 4.463 4.470 -0.004 0.000 0.231 1132 S C 0.473 175.085 174.600 0.021 0.000 0.987 1132 S CA 0.070 58.287 58.200 0.027 0.000 0.936 1132 S CB -0.282 62.929 63.200 0.017 0.000 0.766 1132 S HN 0.480 nan 8.310 nan 0.000 0.528 1133 D N 1.084 121.499 120.400 0.026 0.000 2.454 1133 D HA 0.249 4.886 4.640 -0.004 0.000 0.247 1133 D C 0.788 177.109 176.300 0.034 0.000 1.129 1133 D CA -0.495 53.520 54.000 0.023 0.000 0.877 1133 D CB 1.596 42.408 40.800 0.020 0.000 1.082 1133 D HN -0.044 nan 8.370 nan 0.000 0.537 1134 V N 4.564 124.496 119.914 0.029 0.000 2.453 1134 V HA -0.195 3.922 4.120 -0.004 0.000 0.252 1134 V C 1.664 177.783 176.094 0.043 0.000 1.068 1134 V CA 1.843 64.164 62.300 0.036 0.000 1.070 1134 V CB -0.079 31.753 31.823 0.015 0.000 0.664 1134 V HN 0.478 nan 8.190 nan 0.000 0.461 1135 E N 0.121 120.339 120.200 0.030 0.000 2.153 1135 E HA -0.214 4.133 4.350 -0.004 0.000 0.194 1135 E C 2.202 178.833 176.600 0.052 0.000 0.988 1135 E CA 1.347 57.765 56.400 0.031 0.000 0.811 1135 E CB -0.249 29.462 29.700 0.018 0.000 0.746 1135 E HN 0.661 nan 8.360 nan 0.000 0.466 1136 K N 0.329 120.762 120.400 0.055 0.000 2.167 1136 K HA -0.008 4.310 4.320 -0.004 0.000 0.203 1136 K C 2.215 178.874 176.600 0.097 0.000 1.052 1136 K CA 0.563 56.888 56.287 0.064 0.000 0.956 1136 K CB 0.113 32.643 32.500 0.049 0.000 0.735 1136 K HN -0.063 nan 8.250 nan 0.000 0.451 1137 V N 2.010 121.995 119.914 0.117 0.000 2.295 1137 V HA -0.274 3.843 4.120 -0.004 0.000 0.246 1137 V C 1.981 178.264 176.094 0.315 0.000 1.049 1137 V CA 1.779 64.195 62.300 0.193 0.000 1.024 1137 V CB -0.396 31.548 31.823 0.201 0.000 0.648 1137 V HN 0.279 nan 8.190 nan 0.000 0.447 1138 K N 0.518 121.054 120.400 0.226 0.000 2.057 1138 K HA -0.087 4.231 4.320 -0.004 0.000 0.207 1138 K C 2.279 178.999 176.600 0.200 0.000 1.049 1138 K CA 1.446 57.851 56.287 0.196 0.000 0.931 1138 K CB -0.466 32.057 32.500 0.038 0.000 0.714 1138 K HN 0.464 nan 8.250 nan 0.000 0.440 1139 A N 1.231 124.133 122.820 0.137 0.000 2.019 1139 A HA -0.068 4.250 4.320 -0.004 0.000 0.219 1139 A C 2.190 179.851 177.584 0.128 0.000 1.164 1139 A CA 1.745 53.846 52.037 0.106 0.000 0.644 1139 A CB -0.455 18.586 19.000 0.069 0.000 0.805 1139 A HN 0.328 nan 8.150 nan 0.000 0.449 1140 A N -2.334 120.583 122.820 0.163 0.000 2.238 1140 A HA 0.169 4.486 4.320 -0.004 0.000 0.210 1140 A C 0.742 178.436 177.584 0.184 0.000 1.179 1140 A CA -0.453 51.669 52.037 0.143 0.000 0.827 1140 A CB -0.261 18.812 19.000 0.123 0.000 0.856 1140 A HN 0.638 nan 8.150 nan 0.000 0.488 1141 W N 1.960 123.302 121.300 0.069 0.000 2.210 1141 W HA 0.313 4.971 4.660 -0.004 0.000 0.330 1141 W C -0.369 176.164 176.519 0.024 0.000 1.334 1141 W CA 0.554 57.946 57.345 0.078 0.000 1.227 1141 W CB 0.470 29.956 29.460 0.044 0.000 1.178 1141 W HN 0.123 nan 8.180 nan 0.000 0.560 1142 K N 4.592 125.068 120.400 0.126 0.000 2.433 1142 K HA 0.275 4.593 4.320 -0.004 0.000 0.252 1142 K C -1.807 174.884 176.600 0.152 0.000 1.015 1142 K CA -1.624 54.696 56.287 0.054 0.000 0.860 1142 K CB 1.680 34.053 32.500 -0.212 0.000 1.359 1142 K HN -0.008 nan 8.250 nan 0.000 0.452 1143 P HA -0.165 nan 4.420 nan 0.000 0.219 1143 P C 0.356 177.717 177.300 0.102 0.000 1.146 1143 P CA 1.301 64.469 63.100 0.113 0.000 0.808 1143 P CB 0.084 31.821 31.700 0.061 0.000 0.779 1144 N N -2.132 116.599 118.700 0.052 0.000 2.268 1144 N HA 0.006 4.743 4.740 -0.004 0.000 0.204 1144 N C -0.373 175.170 175.510 0.055 0.000 1.124 1144 N CA 0.228 53.307 53.050 0.050 0.000 0.838 1144 N CB -1.020 37.483 38.487 0.026 0.000 0.994 1144 N HN -0.093 nan 8.380 nan 0.000 0.489 1145 T N 1.678 116.251 114.554 0.032 0.000 2.867 1145 T HA 0.103 4.450 4.350 -0.004 0.000 0.297 1145 T C 0.952 175.596 174.700 -0.093 0.000 0.989 1145 T CA 0.046 62.073 62.100 -0.121 0.000 1.159 1145 T CB 1.181 69.655 68.868 -0.657 0.000 0.928 1145 T HN 0.092 nan 8.240 nan 0.000 0.538 1146 K N 2.099 122.426 120.400 -0.122 0.000 2.412 1146 K HA 0.331 4.649 4.320 -0.004 0.000 0.202 1146 K C 0.199 176.745 176.600 -0.090 0.000 1.102 1146 K CA 0.165 56.421 56.287 -0.051 0.000 1.027 1146 K CB 0.736 33.228 32.500 -0.012 0.000 0.931 1146 K HN 0.622 nan 8.250 nan 0.000 0.557 1147 M N 0.667 120.148 119.600 -0.199 0.000 2.414 1147 M HA 0.255 4.733 4.480 -0.004 0.000 0.287 1147 M C -1.911 174.233 176.300 -0.259 0.000 1.181 1147 M CA -0.585 54.609 55.300 -0.176 0.000 0.933 1147 M CB 2.190 34.711 32.600 -0.132 0.000 1.732 1147 M HN -0.294 nan 8.290 nan 0.000 0.486 1148 V N 4.165 123.987 119.914 -0.154 0.000 2.448 1148 V HA 0.470 4.588 4.120 -0.004 0.000 0.295 1148 V C -1.529 174.563 176.094 -0.002 0.000 1.025 1148 V CA -0.549 61.681 62.300 -0.117 0.000 0.859 1148 V CB 1.676 33.467 31.823 -0.053 0.000 0.988 1148 V HN 0.764 nan 8.190 nan 0.000 0.431 1149 Y N 5.936 126.180 120.300 -0.093 0.000 2.328 1149 Y HA 0.768 5.316 4.550 -0.004 0.000 0.336 1149 Y C -0.906 175.024 175.900 0.051 0.000 0.960 1149 Y CA -0.732 57.370 58.100 0.004 0.000 1.134 1149 Y CB 1.304 39.797 38.460 0.054 0.000 1.166 1149 Y HN 0.536 nan 8.280 nan 0.000 0.464 1150 L N 5.235 126.269 121.223 -0.315 0.000 2.354 1150 L HA 0.586 4.924 4.340 -0.004 0.000 0.264 1150 L C -0.901 175.818 176.870 -0.253 0.000 1.008 1150 L CA -0.997 53.761 54.840 -0.137 0.000 0.819 1150 L CB 2.430 44.438 42.059 -0.086 0.000 1.339 1150 L HN 0.558 nan 8.230 nan 0.000 0.420 1151 E N 1.203 121.368 120.200 -0.058 0.000 2.218 1151 E HA 0.516 4.863 4.350 -0.004 0.000 0.263 1151 E C -1.556 175.031 176.600 -0.022 0.000 0.879 1151 E CA -0.191 56.177 56.400 -0.052 0.000 0.762 1151 E CB 2.113 31.825 29.700 0.021 0.000 1.166 1151 E HN 0.461 nan 8.360 nan 0.000 0.415 1152 S N 4.428 120.121 115.700 -0.012 0.000 2.572 1152 S HA 0.507 4.975 4.470 -0.004 0.000 0.274 1152 S C -2.824 171.827 174.600 0.085 0.000 1.150 1152 S CA -1.427 56.796 58.200 0.038 0.000 0.944 1152 S CB 1.291 64.517 63.200 0.044 0.000 1.071 1152 S HN 0.242 nan 8.310 nan 0.000 0.479 1153 P HA 0.301 nan 4.420 nan 0.000 0.268 1153 P C -0.808 176.482 177.300 -0.018 0.000 1.205 1153 P CA -0.196 62.986 63.100 0.137 0.000 0.771 1153 P CB 0.419 32.254 31.700 0.224 0.000 0.858 1154 A N 2.714 125.507 122.820 -0.045 0.000 2.407 1154 A HA 0.203 4.521 4.320 -0.004 0.000 0.248 1154 A C 0.457 177.796 177.584 -0.408 0.000 1.082 1154 A CA -0.108 51.836 52.037 -0.156 0.000 0.785 1154 A CB -0.302 18.683 19.000 -0.026 0.000 1.020 1154 A HN 0.573 nan 8.150 nan 0.000 0.489 1155 N N 1.853 120.243 118.700 -0.516 0.000 2.419 1155 N HA 0.380 5.117 4.740 -0.004 0.000 0.264 1155 N C -2.145 173.292 175.510 -0.121 0.000 1.031 1155 N CA -2.154 50.569 53.050 -0.545 0.000 0.951 1155 N CB 1.523 39.745 38.487 -0.441 0.000 1.101 1155 N HN 0.291 nan 8.380 nan 0.000 0.488 1156 P HA 0.145 nan 4.420 nan 0.000 0.282 1156 P C 0.407 177.740 177.300 0.056 0.000 1.327 1156 P CA 0.255 63.350 63.100 -0.008 0.000 0.949 1156 P CB 0.255 31.922 31.700 -0.056 0.000 1.445 1157 T N -4.424 110.134 114.554 0.007 0.000 3.100 1157 T HA 0.046 4.394 4.350 -0.004 0.000 0.253 1157 T C 1.043 175.864 174.700 0.201 0.000 1.118 1157 T CA 0.291 62.448 62.100 0.096 0.000 1.058 1157 T CB -1.466 67.448 68.868 0.078 0.000 0.953 1157 T HN 0.038 nan 8.240 nan 0.000 0.515 1158 C N 0.878 120.278 119.300 0.166 0.000 4.400 1158 C HA -0.135 4.322 4.460 -0.004 0.000 0.275 1158 C C 0.712 175.908 174.990 0.342 0.000 1.391 1158 C CA 0.223 59.354 59.018 0.188 0.000 1.816 1158 C CB -2.542 25.189 27.740 -0.014 0.000 1.404 1158 C HN 0.813 nan 8.230 nan 0.000 0.754 1159 K N 0.906 121.484 120.400 0.296 0.000 2.472 1159 K HA 0.274 4.592 4.320 -0.004 0.000 0.280 1159 K C 0.068 176.795 176.600 0.212 0.000 1.028 1159 K CA 0.267 56.712 56.287 0.263 0.000 1.045 1159 K CB 0.494 33.071 32.500 0.128 0.000 0.902 1159 K HN 0.306 nan 8.250 nan 0.000 0.478 1160 V N 4.221 124.270 119.914 0.225 0.000 2.432 1160 V HA 0.117 4.235 4.120 -0.004 0.000 0.275 1160 V C -0.117 176.035 176.094 0.097 0.000 1.043 1160 V CA -0.419 61.987 62.300 0.176 0.000 0.925 1160 V CB 1.491 33.444 31.823 0.216 0.000 0.985 1160 V HN 0.819 nan 8.190 nan 0.000 0.466 1161 S N 2.690 118.435 115.700 0.075 0.000 2.617 1161 S HA 0.272 4.740 4.470 -0.004 0.000 0.283 1161 S C -0.196 174.428 174.600 0.040 0.000 1.189 1161 S CA -0.530 57.699 58.200 0.049 0.000 1.036 1161 S CB 1.289 64.511 63.200 0.038 0.000 1.014 1161 S HN 0.853 nan 8.310 nan 0.000 0.522 1162 D N 1.615 122.032 120.400 0.029 0.000 2.435 1162 D HA 0.203 4.840 4.640 -0.004 0.000 0.230 1162 D C 0.839 177.144 176.300 0.008 0.000 1.215 1162 D CA -0.165 53.846 54.000 0.018 0.000 0.947 1162 D CB -0.234 40.574 40.800 0.013 0.000 1.048 1162 D HN 0.424 nan 8.370 nan 0.000 0.512 1163 I N 2.612 123.185 120.570 0.006 0.000 2.252 1163 I HA -0.202 3.966 4.170 -0.004 0.000 0.245 1163 I C 2.379 178.483 176.117 -0.022 0.000 1.102 1163 I CA 0.671 61.966 61.300 -0.008 0.000 1.385 1163 I CB 0.003 37.999 38.000 -0.006 0.000 1.064 1163 I HN 0.303 nan 8.210 nan 0.000 0.414 1164 K N 0.929 121.321 120.400 -0.014 0.000 2.057 1164 K HA -0.144 4.174 4.320 -0.004 0.000 0.207 1164 K C 2.116 178.690 176.600 -0.042 0.000 1.049 1164 K CA 1.593 57.868 56.287 -0.021 0.000 0.931 1164 K CB -0.376 32.121 32.500 -0.005 0.000 0.714 1164 K HN 0.399 nan 8.250 nan 0.000 0.440 1165 G N 0.704 109.486 108.800 -0.031 0.000 2.408 1165 G HA2 -0.187 3.771 3.960 -0.004 0.000 0.217 1165 G HA3 -0.187 3.771 3.960 -0.004 0.000 0.217 1165 G C 1.443 176.311 174.900 -0.053 0.000 1.150 1165 G CA 0.592 45.670 45.100 -0.037 0.000 0.776 1165 G HN 0.208 nan 8.290 nan 0.000 0.542 1166 I N 1.143 121.691 120.570 -0.036 0.000 2.353 1166 I HA -0.071 4.097 4.170 -0.004 0.000 0.248 1166 I C 3.263 179.331 176.117 -0.081 0.000 1.119 1166 I CA 0.694 61.985 61.300 -0.014 0.000 1.417 1166 I CB -0.184 37.832 38.000 0.026 0.000 1.078 1166 I HN 0.232 nan 8.210 nan 0.000 0.421 1167 A N 0.835 123.560 122.820 -0.159 0.000 1.917 1167 A HA -0.194 4.124 4.320 -0.004 0.000 0.219 1167 A C 2.439 179.611 177.584 -0.687 0.000 1.182 1167 A CA 1.948 53.737 52.037 -0.413 0.000 0.633 1167 A CB -1.054 17.745 19.000 -0.336 0.000 0.819 1167 A HN 0.238 nan 8.150 nan 0.000 0.448 1168 V N -0.284 119.422 119.914 -0.346 0.000 2.252 1168 V HA -0.301 3.816 4.120 -0.004 0.000 0.249 1168 V C 2.590 178.562 176.094 -0.203 0.000 1.056 1168 V CA 2.288 64.464 62.300 -0.207 0.000 1.022 1168 V CB -0.952 30.813 31.823 -0.096 0.000 0.641 1168 V HN 0.413 nan 8.190 nan 0.000 0.445 1169 V N -1.093 118.688 119.914 -0.220 0.000 2.343 1169 V HA -0.279 3.838 4.120 -0.004 0.000 0.247 1169 V C 2.538 178.442 176.094 -0.317 0.000 1.051 1169 V CA 2.112 64.210 62.300 -0.337 0.000 1.036 1169 V CB -0.938 30.640 31.823 -0.408 0.000 0.654 1169 V HN 0.652 nan 8.190 nan 0.000 0.451 1170 C N -0.050 119.200 119.300 -0.084 0.000 2.398 1170 C HA -0.217 4.241 4.460 -0.004 0.000 0.276 1170 C C 2.573 177.638 174.990 0.125 0.000 1.222 1170 C CA 1.432 60.542 59.018 0.153 0.000 1.746 1170 C CB -1.488 26.329 27.740 0.128 0.000 2.039 1170 C HN 0.661 nan 8.230 nan 0.000 0.470 1171 H N 0.151 119.230 119.070 0.015 0.000 2.389 1171 H HA -0.111 4.442 4.556 -0.004 0.000 0.299 1171 H C 2.220 177.534 175.328 -0.023 0.000 1.081 1171 H CA 1.213 57.260 56.048 -0.001 0.000 1.345 1171 H CB -0.108 29.647 29.762 -0.013 0.000 1.393 1171 H HN 0.606 nan 8.280 nan 0.000 0.520 1172 E N 0.645 120.875 120.200 0.051 0.000 2.204 1172 E HA -0.100 4.247 4.350 -0.004 0.000 0.194 1172 E C 1.504 178.080 176.600 -0.040 0.000 0.989 1172 E CA 0.668 57.053 56.400 -0.025 0.000 0.824 1172 E CB 0.179 29.819 29.700 -0.099 0.000 0.756 1172 E HN 0.419 nan 8.360 nan 0.000 0.477 1173 R N -0.981 119.497 120.500 -0.036 0.000 2.508 1173 R HA 0.162 4.499 4.340 -0.004 0.000 0.300 1173 R C 0.501 176.894 176.300 0.155 0.000 0.970 1173 R CA 0.405 56.508 56.100 0.005 0.000 1.102 1173 R CB 1.344 31.535 30.300 -0.182 0.000 1.246 1173 R HN 0.151 nan 8.270 nan 0.000 0.539 1174 G N 1.209 110.095 108.800 0.143 0.000 2.182 1174 G HA2 -0.270 3.687 3.960 -0.004 0.000 0.248 1174 G HA3 -0.270 3.687 3.960 -0.004 0.000 0.248 1174 G C -0.099 174.902 174.900 0.169 0.000 1.042 1174 G CA 0.180 45.362 45.100 0.136 0.000 0.775 1174 G HN 0.447 nan 8.290 nan 0.000 0.501 1175 A N -0.197 122.765 122.820 0.237 0.000 2.324 1175 A HA 0.857 5.174 4.320 -0.004 0.000 0.330 1175 A C 0.570 178.217 177.584 0.105 0.000 1.165 1175 A CA -0.617 51.530 52.037 0.184 0.000 0.813 1175 A CB 0.836 20.016 19.000 0.300 0.000 1.197 1175 A HN 0.453 nan 8.150 nan 0.000 0.484 1176 R N 0.526 121.026 120.500 -0.001 0.000 2.442 1176 R HA 0.274 4.612 4.340 -0.004 0.000 0.291 1176 R C -0.896 175.388 176.300 -0.027 0.000 1.069 1176 R CA -0.403 55.663 56.100 -0.057 0.000 1.022 1176 R CB 0.627 30.800 30.300 -0.212 0.000 0.976 1176 R HN 0.553 nan 8.270 nan 0.000 0.443 1177 L N 4.552 125.773 121.223 -0.003 0.000 2.272 1177 L HA 0.333 4.671 4.340 -0.004 0.000 0.289 1177 L C -1.049 175.794 176.870 -0.046 0.000 1.032 1177 L CA -0.306 54.525 54.840 -0.014 0.000 0.810 1177 L CB 1.697 43.754 42.059 -0.003 0.000 1.205 1177 L HN 0.264 nan 8.230 nan 0.000 0.422 1178 V N 5.925 125.795 119.914 -0.072 0.000 2.448 1178 V HA 0.579 4.697 4.120 -0.004 0.000 0.295 1178 V C -0.506 175.414 176.094 -0.289 0.000 1.025 1178 V CA -0.684 61.550 62.300 -0.110 0.000 0.859 1178 V CB 1.911 33.743 31.823 0.016 0.000 0.988 1178 V HN 0.509 nan 8.190 nan 0.000 0.431 1179 V N 3.224 122.985 119.914 -0.256 0.000 2.487 1179 V HA 0.396 4.514 4.120 -0.004 0.000 0.298 1179 V C -0.489 175.417 176.094 -0.314 0.000 1.028 1179 V CA -0.598 61.521 62.300 -0.302 0.000 0.860 1179 V CB 1.980 33.706 31.823 -0.161 0.000 0.991 1179 V HN 0.899 nan 8.190 nan 0.000 0.427 1180 D N 4.223 124.398 120.400 -0.375 0.000 2.365 1180 D HA 0.414 5.052 4.640 -0.004 0.000 0.237 1180 D C 0.563 176.752 176.300 -0.186 0.000 1.190 1180 D CA -0.144 53.716 54.000 -0.233 0.000 0.867 1180 D CB 1.805 42.544 40.800 -0.101 0.000 1.050 1180 D HN 0.643 nan 8.370 nan 0.000 0.491 1181 A N 3.226 125.862 122.820 -0.306 0.000 2.460 1181 A HA 0.104 4.422 4.320 -0.004 0.000 0.258 1181 A C 1.851 179.459 177.584 0.040 0.000 1.300 1181 A CA -0.170 51.763 52.037 -0.173 0.000 0.913 1181 A CB -0.084 18.806 19.000 -0.184 0.000 1.031 1181 A HN 0.565 nan 8.150 nan 0.000 0.512 1182 T N -0.169 114.436 114.554 0.085 0.000 2.680 1182 T HA -0.215 4.133 4.350 -0.004 0.000 0.268 1182 T C 1.322 176.311 174.700 0.481 0.000 1.033 1182 T CA 1.895 64.203 62.100 0.347 0.000 1.152 1182 T CB -0.416 68.590 68.868 0.230 0.000 0.859 1182 T HN 0.471 nan 8.240 nan 0.000 0.452 1183 F N 1.200 121.265 119.950 0.192 0.000 2.604 1183 F HA 0.030 4.555 4.527 -0.004 0.000 0.298 1183 F C 2.326 178.228 175.800 0.171 0.000 1.131 1183 F CA 0.649 58.789 58.000 0.232 0.000 1.457 1183 F CB -0.259 38.833 39.000 0.153 0.000 1.095 1183 F HN 0.144 nan 8.300 nan 0.000 0.574 1184 T N -1.920 112.781 114.554 0.245 0.000 2.964 1184 T HA 0.172 4.520 4.350 -0.004 0.000 0.250 1184 T C 0.253 174.947 174.700 -0.009 0.000 0.982 1184 T CA 0.712 62.877 62.100 0.109 0.000 0.959 1184 T CB -0.053 68.925 68.868 0.184 0.000 1.141 1184 T HN 0.225 nan 8.240 nan 0.000 0.494 1185 S N 1.373 117.125 115.700 0.087 0.000 3.425 1185 S HA -0.065 4.402 4.470 -0.004 0.000 0.815 1185 S C -2.768 171.842 174.600 0.017 0.000 1.102 1185 S CA -0.150 58.053 58.200 0.005 0.000 1.114 1185 S CB -1.266 61.791 63.200 -0.238 0.000 0.716 1185 S HN 0.156 nan 8.310 nan 0.000 0.321 1186 P HA 0.208 nan 4.420 nan 0.000 0.237 1186 P C 1.464 178.695 177.300 -0.116 0.000 1.178 1186 P CA 0.930 64.008 63.100 -0.037 0.000 0.766 1186 P CB -0.587 31.047 31.700 -0.111 0.000 0.876 1187 C N -1.653 117.481 119.300 -0.275 0.000 2.435 1187 C HA 0.002 4.459 4.460 -0.004 0.000 0.279 1187 C C 2.300 177.121 174.990 -0.282 0.000 1.321 1187 C CA 0.792 59.559 59.018 -0.418 0.000 1.752 1187 C CB -1.918 25.307 27.740 -0.858 0.000 1.959 1187 C HN 0.206 nan 8.230 nan 0.000 0.500 1188 F N -1.696 118.222 119.950 -0.053 0.000 2.727 1188 F HA 0.361 4.886 4.527 -0.004 0.000 0.302 1188 F C 0.323 176.086 175.800 -0.061 0.000 1.107 1188 F CA -0.397 57.553 58.000 -0.082 0.000 1.277 1188 F CB 0.450 39.373 39.000 -0.128 0.000 1.079 1188 F HN -0.015 nan 8.300 nan 0.000 0.594 1189 L N 1.493 122.803 121.223 0.144 0.000 2.404 1189 L HA 0.422 4.759 4.340 -0.004 0.000 0.272 1189 L C -1.083 175.839 176.870 0.086 0.000 0.980 1189 L CA -0.740 54.160 54.840 0.101 0.000 0.836 1189 L CB 1.392 43.516 42.059 0.108 0.000 1.238 1189 L HN -0.091 nan 8.230 nan 0.000 0.408 1190 K N 6.682 127.117 120.400 0.060 0.000 2.478 1190 K HA 0.431 4.749 4.320 -0.004 0.000 0.236 1190 K C -2.048 174.575 176.600 0.038 0.000 1.021 1190 K CA -1.445 54.874 56.287 0.053 0.000 1.010 1190 K CB 1.455 33.978 32.500 0.038 0.000 1.331 1190 K HN 0.334 nan 8.250 nan 0.000 0.470 1191 P HA -0.110 nan 4.420 nan 0.000 0.221 1191 P C 0.817 178.131 177.300 0.022 0.000 1.150 1191 P CA 0.852 63.960 63.100 0.014 0.000 0.800 1191 P CB 0.255 31.946 31.700 -0.015 0.000 0.787 1192 L N -0.352 120.887 121.223 0.027 0.000 2.191 1192 L HA -0.160 4.178 4.340 -0.004 0.000 0.212 1192 L C 2.012 178.900 176.870 0.031 0.000 1.103 1192 L CA 1.487 56.344 54.840 0.029 0.000 0.769 1192 L CB -0.965 41.109 42.059 0.025 0.000 0.908 1192 L HN 0.095 nan 8.230 nan 0.000 0.438 1193 E N 0.152 120.369 120.200 0.028 0.000 2.358 1193 E HA -0.055 4.293 4.350 -0.004 0.000 0.195 1193 E C 1.872 178.491 176.600 0.032 0.000 1.010 1193 E CA 0.514 56.930 56.400 0.026 0.000 0.856 1193 E CB 0.138 29.851 29.700 0.021 0.000 0.795 1193 E HN 0.529 nan 8.360 nan 0.000 0.504 1194 L N -0.548 120.696 121.223 0.035 0.000 2.607 1194 L HA 0.230 4.568 4.340 -0.004 0.000 0.228 1194 L C 1.292 178.197 176.870 0.058 0.000 1.123 1194 L CA 0.302 55.163 54.840 0.034 0.000 0.890 1194 L CB 0.408 42.479 42.059 0.020 0.000 1.103 1194 L HN 0.270 nan 8.230 nan 0.000 0.468 1195 G N -0.131 108.726 108.800 0.094 0.000 2.195 1195 G HA2 -0.238 3.720 3.960 -0.004 0.000 0.224 1195 G HA3 -0.238 3.720 3.960 -0.004 0.000 0.224 1195 G C 0.492 175.511 174.900 0.200 0.000 0.990 1195 G CA -0.110 45.114 45.100 0.206 0.000 0.639 1195 G HN 0.441 nan 8.290 nan 0.000 0.514 1196 A N 0.288 123.158 122.820 0.084 0.000 2.507 1196 A HA 0.496 4.813 4.320 -0.004 0.000 0.235 1196 A C 1.174 178.796 177.584 0.063 0.000 1.070 1196 A CA 1.073 53.141 52.037 0.053 0.000 0.768 1196 A CB 0.253 19.253 19.000 0.000 0.000 1.011 1196 A HN 0.242 nan 8.150 nan 0.000 0.502 1197 D N -0.041 120.379 120.400 0.033 0.000 2.301 1197 D HA 0.172 4.810 4.640 -0.004 0.000 0.206 1197 D C 0.006 176.301 176.300 -0.009 0.000 0.979 1197 D CA 1.197 55.198 54.000 0.001 0.000 0.874 1197 D CB 0.280 41.056 40.800 -0.041 0.000 0.968 1197 D HN 0.491 nan 8.370 nan 0.000 0.510 1198 I N 0.530 121.093 120.570 -0.011 0.000 2.569 1198 I HA 0.396 4.564 4.170 -0.004 0.000 0.290 1198 I C -1.053 175.060 176.117 -0.006 0.000 1.088 1198 I CA -0.828 60.479 61.300 0.013 0.000 1.047 1198 I CB 2.492 40.510 38.000 0.029 0.000 1.237 1198 I HN -0.235 nan 8.210 nan 0.000 0.421 1199 A N 6.935 129.764 122.820 0.015 0.000 2.343 1199 A HA 0.932 5.249 4.320 -0.004 0.000 0.316 1199 A C -1.025 176.556 177.584 -0.005 0.000 1.104 1199 A CA -0.425 51.598 52.037 -0.024 0.000 0.768 1199 A CB 1.187 20.198 19.000 0.017 0.000 1.213 1199 A HN 0.617 nan 8.150 nan 0.000 0.456 1200 L N -0.294 120.854 121.223 -0.124 0.000 2.359 1200 L HA 0.836 5.174 4.340 -0.004 0.000 0.256 1200 L C -0.681 176.016 176.870 -0.289 0.000 1.026 1200 L CA -0.540 54.273 54.840 -0.044 0.000 0.828 1200 L CB 1.710 43.790 42.059 0.035 0.000 1.406 1200 L HN 0.652 nan 8.230 nan 0.000 0.413 1201 H N -0.597 118.537 119.070 0.107 0.000 2.974 1201 H HA 0.313 4.866 4.556 -0.004 0.000 0.366 1201 H C -1.175 174.217 175.328 0.107 0.000 1.155 1201 H CA -0.764 55.349 56.048 0.109 0.000 1.186 1201 H CB 2.337 32.175 29.762 0.127 0.000 1.799 1201 H HN 0.806 nan 8.280 nan 0.000 0.541 1202 S N 1.780 117.588 115.700 0.181 0.000 2.429 1202 S HA 0.057 4.524 4.470 -0.004 0.000 0.292 1202 S C 1.327 176.030 174.600 0.171 0.000 1.183 1202 S CA -0.517 57.758 58.200 0.126 0.000 1.088 1202 S CB -0.150 63.056 63.200 0.008 0.000 1.018 1202 S HN 0.419 nan 8.310 nan 0.000 0.511 1203 V N 5.036 125.058 119.914 0.180 0.000 2.759 1203 V HA -0.072 4.046 4.120 -0.004 0.000 0.256 1203 V C 1.587 177.724 176.094 0.072 0.000 1.080 1203 V CA 1.020 63.414 62.300 0.157 0.000 1.101 1203 V CB -1.033 30.903 31.823 0.187 0.000 0.698 1203 V HN 0.838 nan 8.190 nan 0.000 0.477 1207 I N 1.025 121.689 120.570 0.156 0.000 2.142 1207 I HA -0.315 3.853 4.170 -0.004 0.000 0.240 1207 I C 2.145 178.338 176.117 0.126 0.000 1.078 1207 I CA 2.483 63.850 61.300 0.112 0.000 1.343 1207 I CB -0.180 37.879 38.000 0.098 0.000 1.046 1207 I HN 0.321 nan 8.210 nan 0.000 0.405 1208 N N 0.382 119.140 118.700 0.097 0.000 2.135 1208 N HA -0.096 4.641 4.740 -0.004 0.000 0.186 1208 N C 1.483 177.107 175.510 0.189 0.000 1.027 1208 N CA 1.894 54.994 53.050 0.082 0.000 0.849 1208 N CB 0.018 38.513 38.487 0.014 0.000 1.002 1208 N HN 0.368 nan 8.380 nan 0.000 0.425 1209 G N -1.433 107.433 108.800 0.111 0.000 2.234 1209 G HA2 -0.305 3.652 3.960 -0.004 0.000 0.260 1209 G HA3 -0.305 3.652 3.960 -0.004 0.000 0.260 1209 G C 0.460 175.313 174.900 -0.078 0.000 0.987 1209 G CA 0.922 46.050 45.100 0.047 0.000 0.625 1209 G HN 0.603 nan 8.290 nan 0.000 0.532 1210 H N -0.296 118.770 119.070 -0.005 0.000 2.592 1210 H HA 0.453 5.006 4.556 -0.004 0.000 0.279 1210 H C 1.889 177.210 175.328 -0.013 0.000 1.089 1210 H CA 0.604 56.650 56.048 -0.004 0.000 1.150 1210 H CB 0.498 30.254 29.762 -0.009 0.000 1.575 1210 H HN 1.173 nan 8.280 nan 0.000 0.547 1211 G N 1.846 110.675 108.800 0.047 0.000 2.203 1211 G HA2 -0.338 3.620 3.960 -0.004 0.000 0.263 1211 G HA3 -0.338 3.620 3.960 -0.004 0.000 0.263 1211 G C 0.418 175.337 174.900 0.030 0.000 1.012 1211 G CA 0.966 46.075 45.100 0.016 0.000 0.749 1211 G HN 0.623 nan 8.290 nan 0.000 0.512 1212 D N -1.763 118.663 120.400 0.043 0.000 2.527 1212 D HA 0.393 5.030 4.640 -0.004 0.000 0.224 1212 D C 0.547 176.855 176.300 0.014 0.000 1.217 1212 D CA 0.357 54.375 54.000 0.030 0.000 0.819 1212 D CB 0.405 41.230 40.800 0.040 0.000 1.061 1212 D HN 1.139 nan 8.370 nan 0.000 0.515 1213 V N -0.635 119.282 119.914 0.005 0.000 3.049 1213 V HA 0.553 4.671 4.120 -0.004 0.000 0.309 1213 V C -1.749 174.342 176.094 -0.005 0.000 1.148 1213 V CA -1.032 61.264 62.300 -0.008 0.000 0.990 1213 V CB 2.457 34.259 31.823 -0.035 0.000 1.039 1213 V HN 0.005 nan 8.190 nan 0.000 0.430 1214 I N 4.632 125.203 120.570 0.002 0.000 2.377 1214 I HA 0.889 5.057 4.170 -0.004 0.000 0.293 1214 I C 0.586 176.716 176.117 0.022 0.000 0.987 1214 I CA 0.180 61.488 61.300 0.014 0.000 1.185 1214 I CB 0.961 38.975 38.000 0.023 0.000 1.341 1214 I HN 1.061 nan 8.210 nan 0.000 0.455 1215 G N 3.401 112.226 108.800 0.041 0.000 2.576 1215 G HA2 0.658 4.615 3.960 -0.004 0.000 0.290 1215 G HA3 0.658 4.615 3.960 -0.004 0.000 0.290 1215 G C -1.366 173.619 174.900 0.142 0.000 1.442 1215 G CA -0.540 44.607 45.100 0.078 0.000 0.792 1215 G HN 0.829 nan 8.290 nan 0.000 0.491 1216 G N -1.832 107.114 108.800 0.243 0.000 2.642 1216 G HA2 0.840 4.798 3.960 -0.004 0.000 0.293 1216 G HA3 0.840 4.798 3.960 -0.004 0.000 0.293 1216 G C -1.683 173.503 174.900 0.476 0.000 1.341 1216 G CA -0.492 44.796 45.100 0.312 0.000 0.916 1216 G HN 1.613 nan 8.290 nan 0.000 0.474 1217 V N -0.460 119.728 119.914 0.456 0.000 3.012 1217 V HA 0.855 4.973 4.120 -0.004 0.000 0.307 1217 V C -1.038 175.303 176.094 0.410 0.000 1.166 1217 V CA -0.504 62.080 62.300 0.473 0.000 0.974 1217 V CB 2.292 34.319 31.823 0.340 0.000 1.040 1217 V HN 1.123 nan 8.190 nan 0.000 0.428 1218 S N 3.312 119.275 115.700 0.438 0.000 2.547 1218 S HA 0.823 5.290 4.470 -0.004 0.000 0.281 1218 S C -0.991 173.754 174.600 0.241 0.000 1.118 1218 S CA -0.339 58.051 58.200 0.318 0.000 0.947 1218 S CB 1.858 65.275 63.200 0.363 0.000 1.053 1218 S HN 0.943 nan 8.310 nan 0.000 0.482 1219 S N 2.439 118.240 115.700 0.167 0.000 2.521 1219 S HA 0.851 5.319 4.470 -0.004 0.000 0.295 1219 S C -0.655 174.004 174.600 0.099 0.000 1.098 1219 S CA -0.635 57.633 58.200 0.114 0.000 0.999 1219 S CB 1.661 64.910 63.200 0.082 0.000 1.034 1219 S HN 1.008 nan 8.310 nan 0.000 0.483 1220 A N 1.749 124.623 122.820 0.091 0.000 2.355 1220 A HA 0.595 4.912 4.320 -0.004 0.000 0.324 1220 A C 0.845 178.457 177.584 0.047 0.000 1.117 1220 A CA -0.753 51.330 52.037 0.078 0.000 0.785 1220 A CB 0.993 20.062 19.000 0.115 0.000 1.254 1220 A HN 0.874 nan 8.150 nan 0.000 0.453 1221 K N 0.486 120.903 120.400 0.029 0.000 2.280 1221 K HA -0.036 4.282 4.320 -0.004 0.000 0.202 1221 K C 0.052 176.660 176.600 0.012 0.000 1.047 1221 K CA 1.430 57.726 56.287 0.014 0.000 0.942 1221 K CB 0.035 32.536 32.500 0.002 0.000 0.739 1221 K HN 0.642 nan 8.250 nan 0.000 0.457 1222 T N -0.940 113.629 114.554 0.024 0.000 2.863 1222 T HA 0.425 4.773 4.350 -0.004 0.000 0.285 1222 T C 0.386 175.113 174.700 0.045 0.000 1.009 1222 T CA -0.258 61.857 62.100 0.025 0.000 0.989 1222 T CB 1.827 70.707 68.868 0.020 0.000 1.004 1222 T HN 0.167 nan 8.240 nan 0.000 0.455 1223 A N 2.123 124.963 122.820 0.034 0.000 1.940 1223 A HA -0.095 4.223 4.320 -0.004 0.000 0.219 1223 A C 2.006 179.625 177.584 0.059 0.000 1.176 1223 A CA 2.097 54.157 52.037 0.037 0.000 0.631 1223 A CB -0.561 18.450 19.000 0.018 0.000 0.814 1223 A HN 0.944 nan 8.150 nan 0.000 0.446 1224 E N -0.391 119.847 120.200 0.063 0.000 2.077 1224 E HA -0.235 4.113 4.350 -0.004 0.000 0.193 1224 E C 1.235 177.927 176.600 0.154 0.000 0.989 1224 E CA 1.427 57.879 56.400 0.087 0.000 0.800 1224 E CB -0.102 29.643 29.700 0.076 0.000 0.746 1224 E HN 0.529 nan 8.360 nan 0.000 0.452 1225 D N 0.258 120.762 120.400 0.173 0.000 2.123 1225 D HA -0.117 4.520 4.640 -0.004 0.000 0.200 1225 D C 1.863 178.345 176.300 0.302 0.000 0.976 1225 D CA 0.534 54.715 54.000 0.302 0.000 0.831 1225 D CB -0.166 40.747 40.800 0.189 0.000 0.974 1225 D HN 0.212 nan 8.370 nan 0.000 0.469 1226 I N 1.018 121.702 120.570 0.190 0.000 2.286 1226 I HA -0.184 3.984 4.170 -0.004 0.000 0.248 1226 I C 2.027 178.237 176.117 0.155 0.000 1.115 1226 I CA 0.851 62.253 61.300 0.170 0.000 1.392 1226 I CB -0.392 37.675 38.000 0.111 0.000 1.065 1226 I HN -0.074 nan 8.210 nan 0.000 0.418 1227 A N -0.956 121.941 122.820 0.128 0.000 1.902 1227 A HA -0.216 4.102 4.320 -0.004 0.000 0.217 1227 A C 2.357 180.041 177.584 0.166 0.000 1.181 1227 A CA 2.461 54.565 52.037 0.110 0.000 0.623 1227 A CB -1.342 17.695 19.000 0.060 0.000 0.818 1227 A HN 0.452 nan 8.150 nan 0.000 0.443 1228 T N 0.319 114.983 114.554 0.183 0.000 2.737 1228 T HA -0.083 4.264 4.350 -0.004 0.000 0.265 1228 T C 1.804 176.577 174.700 0.121 0.000 1.038 1228 T CA 1.446 63.654 62.100 0.179 0.000 1.144 1228 T CB -0.432 68.493 68.868 0.095 0.000 0.866 1228 T HN 0.421 nan 8.240 nan 0.000 0.434 1229 I N 0.896 121.535 120.570 0.114 0.000 2.118 1229 I HA -0.266 3.901 4.170 -0.004 0.000 0.241 1229 I C 2.545 178.822 176.117 0.268 0.000 1.070 1229 I CA 1.575 62.980 61.300 0.175 0.000 1.327 1229 I CB -0.323 37.849 38.000 0.287 0.000 1.034 1229 I HN 0.215 nan 8.210 nan 0.000 0.405 1230 K N -0.130 120.402 120.400 0.222 0.000 2.147 1230 K HA -0.196 4.121 4.320 -0.004 0.000 0.205 1230 K C 2.116 178.852 176.600 0.226 0.000 1.049 1230 K CA 1.327 57.720 56.287 0.176 0.000 0.936 1230 K CB -0.291 32.273 32.500 0.108 0.000 0.722 1230 K HN 0.181 nan 8.250 nan 0.000 0.446 1231 F N 0.983 120.979 119.950 0.077 0.000 2.102 1231 F HA -0.240 4.284 4.527 -0.004 0.000 0.298 1231 F C 2.111 177.953 175.800 0.069 0.000 1.105 1231 F CA 1.110 59.143 58.000 0.056 0.000 1.239 1231 F CB -0.825 38.198 39.000 0.040 0.000 0.991 1231 F HN 0.020 nan 8.300 nan 0.000 0.474 1232 Y N 1.194 121.401 120.300 -0.156 0.000 2.128 1232 Y HA -0.242 4.306 4.550 -0.004 0.000 0.284 1232 Y C 2.927 178.778 175.900 -0.082 0.000 1.154 1232 Y CA 2.545 60.498 58.100 -0.245 0.000 1.149 1232 Y CB -0.666 37.686 38.460 -0.181 0.000 0.976 1232 Y HN 0.090 nan 8.280 nan 0.000 0.505 1233 R N 1.064 121.676 120.500 0.187 0.000 2.103 1233 R HA -0.252 4.086 4.340 -0.004 0.000 0.242 1233 R C 2.303 178.612 176.300 0.015 0.000 1.142 1233 R CA 2.344 58.547 56.100 0.173 0.000 0.960 1233 R CB -0.358 30.064 30.300 0.204 0.000 0.858 1233 R HN 0.559 nan 8.270 nan 0.000 0.439 1234 K N -0.922 119.485 120.400 0.012 0.000 2.217 1234 K HA -0.088 4.230 4.320 -0.004 0.000 0.202 1234 K C 0.794 177.369 176.600 -0.041 0.000 1.051 1234 K CA 1.744 58.049 56.287 0.029 0.000 0.952 1234 K CB 0.188 32.751 32.500 0.104 0.000 0.736 1234 K HN 0.116 nan 8.250 nan 0.000 0.453 1235 D N 0.880 121.173 120.400 -0.177 0.000 2.277 1235 D HA 0.074 4.712 4.640 -0.004 0.000 0.209 1235 D C 1.793 177.913 176.300 -0.300 0.000 0.970 1235 D CA 1.113 54.966 54.000 -0.246 0.000 0.874 1235 D CB 0.226 40.808 40.800 -0.363 0.000 0.982 1235 D HN 0.371 nan 8.370 nan 0.000 0.504 1236 A N -0.004 122.560 122.820 -0.427 0.000 2.030 1236 A HA 0.394 4.712 4.320 -0.004 0.000 0.215 1236 A C 1.809 179.314 177.584 -0.132 0.000 1.164 1236 A CA 1.285 53.099 52.037 -0.372 0.000 0.697 1236 A CB -0.237 18.402 19.000 -0.601 0.000 0.827 1236 A HN 0.241 nan 8.150 nan 0.000 0.457 1237 G N -0.665 108.100 108.800 -0.058 0.000 2.137 1237 G HA2 -0.212 3.745 3.960 -0.004 0.000 0.237 1237 G HA3 -0.212 3.745 3.960 -0.004 0.000 0.237 1237 G C 0.365 175.301 174.900 0.060 0.000 1.002 1237 G CA 0.602 45.709 45.100 0.011 0.000 0.702 1237 G HN 1.116 nan 8.290 nan 0.000 0.515 1238 S N 0.358 116.135 115.700 0.128 0.000 2.494 1238 S HA 0.644 5.112 4.470 -0.004 0.000 0.312 1238 S C 0.577 175.298 174.600 0.202 0.000 1.121 1238 S CA -0.505 57.813 58.200 0.196 0.000 1.068 1238 S CB -0.145 63.221 63.200 0.277 0.000 1.141 1238 S HN 0.450 nan 8.310 nan 0.000 0.527 1239 L N 4.611 125.896 121.223 0.104 0.000 2.334 1239 L HA 0.564 4.902 4.340 -0.004 0.000 0.273 1239 L C 0.245 177.141 176.870 0.043 0.000 1.013 1239 L CA -0.758 54.106 54.840 0.039 0.000 0.816 1239 L CB 1.842 43.911 42.059 0.017 0.000 1.278 1239 L HN 0.535 nan 8.230 nan 0.000 0.431 1240 M N 2.411 122.019 119.600 0.013 0.000 2.162 1240 M HA 0.425 4.903 4.480 -0.004 0.000 0.356 1240 M C 0.155 176.460 176.300 0.007 0.000 1.303 1240 M CA -0.208 55.102 55.300 0.016 0.000 1.116 1240 M CB 1.140 33.746 32.600 0.009 0.000 1.632 1240 M HN 0.746 nan 8.290 nan 0.000 0.469 1241 A N 6.968 129.792 122.820 0.007 0.000 2.445 1241 A HA 0.349 4.667 4.320 -0.004 0.000 0.242 1241 A C -2.046 175.551 177.584 0.020 0.000 1.075 1241 A CA -1.275 50.766 52.037 0.007 0.000 0.777 1241 A CB -0.421 18.581 19.000 0.004 0.000 1.013 1241 A HN 0.752 nan 8.150 nan 0.000 0.493 1242 P HA -0.209 nan 4.420 nan 0.000 0.215 1242 P C 1.629 178.982 177.300 0.089 0.000 1.157 1242 P CA 1.741 64.886 63.100 0.076 0.000 0.874 1242 P CB -0.071 31.674 31.700 0.076 0.000 0.790 1243 M N -0.238 119.390 119.600 0.048 0.000 2.159 1243 M HA -0.146 4.332 4.480 -0.004 0.000 0.263 1243 M C 1.130 177.498 176.300 0.113 0.000 1.063 1243 M CA 1.880 57.220 55.300 0.067 0.000 1.110 1243 M CB -1.292 31.314 32.600 0.010 0.000 1.374 1243 M HN -0.244 nan 8.290 nan 0.000 0.411 1244 D N 0.059 120.483 120.400 0.040 0.000 2.144 1244 D HA -0.004 4.634 4.640 -0.004 0.000 0.200 1244 D C 2.000 178.243 176.300 -0.094 0.000 0.978 1244 D CA 1.610 55.600 54.000 -0.017 0.000 0.833 1244 D CB -0.362 40.418 40.800 -0.034 0.000 0.961 1244 D HN 0.496 nan 8.370 nan 0.000 0.470 1245 A N 0.378 123.160 122.820 -0.064 0.000 1.898 1245 A HA -0.147 4.171 4.320 -0.004 0.000 0.216 1245 A C 2.095 179.654 177.584 -0.042 0.000 1.181 1245 A CA 0.953 52.914 52.037 -0.127 0.000 0.620 1245 A CB -1.021 17.990 19.000 0.018 0.000 0.819 1245 A HN 0.278 nan 8.150 nan 0.000 0.442 1246 F N 0.793 120.716 119.950 -0.045 0.000 2.091 1246 F HA -0.213 4.312 4.527 -0.003 0.000 0.299 1246 F C 1.866 177.627 175.800 -0.065 0.000 1.103 1246 F CA 2.025 60.016 58.000 -0.014 0.000 1.228 1246 F CB -0.338 38.664 39.000 0.005 0.000 0.984 1246 F HN 0.153 nan 8.300 nan 0.000 0.477 1247 L N -0.617 120.548 121.223 -0.097 0.000 2.017 1247 L HA -0.278 4.059 4.340 -0.004 0.000 0.208 1247 L C 2.667 179.359 176.870 -0.296 0.000 1.073 1247 L CA 1.429 56.127 54.840 -0.237 0.000 0.745 1247 L CB -1.058 40.968 42.059 -0.056 0.000 0.894 1247 L HN 0.315 nan 8.230 nan 0.000 0.432 1248 C N -0.355 118.749 119.300 -0.326 0.000 2.429 1248 C HA -0.121 4.337 4.460 -0.004 0.000 0.277 1248 C C 3.147 177.996 174.990 -0.236 0.000 1.262 1248 C CA 0.609 59.379 59.018 -0.414 0.000 1.733 1248 C CB -1.091 26.073 27.740 -0.960 0.000 2.010 1248 C HN 0.616 nan 8.230 nan 0.000 0.483 1249 A N 0.494 123.205 122.820 -0.182 0.000 1.902 1249 A HA -0.224 4.094 4.320 -0.004 0.000 0.217 1249 A C 2.310 179.829 177.584 -0.109 0.000 1.181 1249 A CA 1.817 53.879 52.037 0.041 0.000 0.623 1249 A CB -0.654 18.368 19.000 0.037 0.000 0.818 1249 A HN 0.653 nan 8.150 nan 0.000 0.443 1250 R N -0.589 119.732 120.500 -0.298 0.000 2.073 1250 R HA -0.106 4.232 4.340 -0.004 0.000 0.234 1250 R C 2.302 178.471 176.300 -0.218 0.000 1.134 1250 R CA 1.596 57.493 56.100 -0.339 0.000 0.952 1250 R CB -0.748 29.201 30.300 -0.587 0.000 0.850 1250 R HN 0.455 nan 8.270 nan 0.000 0.433 1251 G N 0.956 109.634 108.800 -0.203 0.000 2.446 1251 G HA2 -0.320 3.638 3.960 -0.004 0.000 0.217 1251 G HA3 -0.320 3.638 3.960 -0.004 0.000 0.217 1251 G C 1.454 176.385 174.900 0.053 0.000 1.168 1251 G CA 0.850 45.915 45.100 -0.059 0.000 0.771 1251 G HN 0.327 nan 8.290 nan 0.000 0.551 1252 M N 0.128 119.754 119.600 0.044 0.000 2.358 1252 M HA -0.011 4.467 4.480 -0.004 0.000 0.264 1252 M C 2.193 178.507 176.300 0.023 0.000 1.064 1252 M CA 0.985 56.325 55.300 0.067 0.000 1.093 1252 M CB 0.019 32.695 32.600 0.128 0.000 1.401 1252 M HN 0.014 nan 8.290 nan 0.000 0.440 1253 K N -0.277 120.119 120.400 -0.008 0.000 2.218 1253 K HA -0.125 4.193 4.320 -0.004 0.000 0.205 1253 K C 1.644 178.246 176.600 0.005 0.000 1.046 1253 K CA 1.918 58.192 56.287 -0.021 0.000 0.933 1253 K CB -1.077 31.393 32.500 -0.050 0.000 0.728 1253 K HN 0.529 nan 8.250 nan 0.000 0.454 1254 T N -1.751 112.824 114.554 0.035 0.000 3.134 1254 T HA 0.139 4.487 4.350 -0.004 0.000 0.260 1254 T C 1.518 176.248 174.700 0.049 0.000 1.027 1254 T CA -0.335 61.795 62.100 0.050 0.000 0.913 1254 T CB 0.041 68.960 68.868 0.084 0.000 1.046 1254 T HN -0.065 nan 8.240 nan 0.000 0.553 1255 L N 2.413 123.659 121.223 0.038 0.000 1.989 1255 L HA 0.144 4.482 4.340 -0.004 0.000 0.211 1255 L C -0.956 175.896 176.870 -0.029 0.000 1.071 1255 L CA 1.948 56.801 54.840 0.022 0.000 0.749 1255 L CB -1.163 40.894 42.059 -0.004 0.000 0.890 1255 L HN 0.103 nan 8.230 nan 0.000 0.431 1256 P HA -0.158 nan 4.420 nan 0.000 0.215 1256 P C 1.947 179.232 177.300 -0.025 0.000 1.153 1256 P CA 1.407 64.462 63.100 -0.075 0.000 0.853 1256 P CB -0.092 31.582 31.700 -0.044 0.000 0.788 1257 I N -0.801 119.772 120.570 0.005 0.000 2.353 1257 I HA -0.117 4.050 4.170 -0.004 0.000 0.248 1257 I C 2.191 178.319 176.117 0.019 0.000 1.119 1257 I CA 1.291 62.603 61.300 0.020 0.000 1.417 1257 I CB -0.418 37.594 38.000 0.020 0.000 1.078 1257 I HN -0.256 nan 8.210 nan 0.000 0.421 1258 R N -0.527 119.985 120.500 0.019 0.000 2.083 1258 R HA -0.162 4.176 4.340 -0.004 0.000 0.237 1258 R C 2.164 178.521 176.300 0.096 0.000 1.137 1258 R CA 1.738 57.839 56.100 0.001 0.000 0.951 1258 R CB -0.446 29.894 30.300 0.067 0.000 0.851 1258 R HN 0.306 nan 8.270 nan 0.000 0.434 1259 M N 0.702 120.386 119.600 0.140 0.000 2.159 1259 M HA -0.193 4.285 4.480 -0.004 0.000 0.263 1259 M C 2.239 178.716 176.300 0.295 0.000 1.063 1259 M CA 1.546 56.936 55.300 0.150 0.000 1.110 1259 M CB -0.982 31.424 32.600 -0.323 0.000 1.374 1259 M HN 0.241 nan 8.290 nan 0.000 0.411 1260 Q N 0.138 120.065 119.800 0.212 0.000 2.050 1260 Q HA -0.174 4.164 4.340 -0.004 0.000 0.202 1260 Q C 1.871 177.978 176.000 0.178 0.000 0.980 1260 Q CA 1.338 57.294 55.803 0.255 0.000 0.840 1260 Q CB 0.114 28.945 28.738 0.154 0.000 0.898 1260 Q HN 0.339 nan 8.270 nan 0.000 0.424 1261 I N 0.716 121.342 120.570 0.092 0.000 2.252 1261 I HA -0.253 3.915 4.170 -0.004 0.000 0.245 1261 I C 2.336 178.502 176.117 0.081 0.000 1.102 1261 I CA 1.427 62.748 61.300 0.036 0.000 1.385 1261 I CB -1.764 36.201 38.000 -0.059 0.000 1.064 1261 I HN 0.352 nan 8.210 nan 0.000 0.414 1262 H N 0.109 119.269 119.070 0.149 0.000 2.319 1262 H HA -0.193 4.360 4.556 -0.004 0.000 0.299 1262 H C 2.263 177.708 175.328 0.195 0.000 1.092 1262 H CA 1.860 58.019 56.048 0.186 0.000 1.302 1262 H CB -0.299 29.603 29.762 0.234 0.000 1.373 1262 H HN 0.296 nan 8.280 nan 0.000 0.497 1263 M N 0.844 120.653 119.600 0.348 0.000 2.065 1263 M HA -0.193 4.285 4.480 -0.004 0.000 0.259 1263 M C 2.009 178.415 176.300 0.177 0.000 1.069 1263 M CA 1.857 57.304 55.300 0.246 0.000 1.110 1263 M CB 0.011 32.677 32.600 0.110 0.000 1.328 1263 M HN 0.185 nan 8.290 nan 0.000 0.405 1264 E N 0.151 120.433 120.200 0.137 0.000 2.077 1264 E HA -0.177 4.171 4.350 -0.004 0.000 0.193 1264 E C 1.724 178.372 176.600 0.079 0.000 0.989 1264 E CA 1.691 58.140 56.400 0.081 0.000 0.800 1264 E CB -0.280 29.457 29.700 0.063 0.000 0.746 1264 E HN 0.685 nan 8.360 nan 0.000 0.452 1265 N N -0.009 118.757 118.700 0.110 0.000 2.084 1265 N HA -0.139 4.599 4.740 -0.004 0.000 0.190 1265 N C 2.066 177.668 175.510 0.155 0.000 1.030 1265 N CA 0.780 53.898 53.050 0.113 0.000 0.849 1265 N CB -0.207 38.356 38.487 0.126 0.000 1.012 1265 N HN 0.132 nan 8.380 nan 0.000 0.423 1266 G N 1.534 110.473 108.800 0.232 0.000 2.440 1266 G HA2 -0.219 3.739 3.960 -0.004 0.000 0.218 1266 G HA3 -0.219 3.739 3.960 -0.004 0.000 0.218 1266 G C 1.536 176.485 174.900 0.080 0.000 1.154 1266 G CA 0.524 45.819 45.100 0.326 0.000 0.767 1266 G HN 0.145 nan 8.290 nan 0.000 0.552 1267 L N -0.335 120.858 121.223 -0.050 0.000 2.093 1267 L HA -0.002 4.336 4.340 -0.004 0.000 0.208 1267 L C 2.967 179.703 176.870 -0.223 0.000 1.085 1267 L CA 1.193 55.823 54.840 -0.349 0.000 0.755 1267 L CB -0.188 41.725 42.059 -0.243 0.000 0.904 1267 L HN 0.163 nan 8.230 nan 0.000 0.435 1268 K N -0.768 119.591 120.400 -0.068 0.000 2.103 1268 K HA -0.099 4.219 4.320 -0.004 0.000 0.204 1268 K C 1.995 178.619 176.600 0.040 0.000 1.052 1268 K CA 0.925 57.200 56.287 -0.020 0.000 0.945 1268 K CB -0.027 32.476 32.500 0.006 0.000 0.722 1268 K HN 0.080 nan 8.250 nan 0.000 0.443 1269 V N 1.203 121.171 119.914 0.090 0.000 2.358 1269 V HA -0.233 3.885 4.120 -0.004 0.000 0.246 1269 V C 2.283 178.498 176.094 0.202 0.000 1.047 1269 V CA 2.015 64.438 62.300 0.206 0.000 1.035 1269 V CB -0.584 31.417 31.823 0.296 0.000 0.658 1269 V HN 0.342 nan 8.190 nan 0.000 0.452 1270 A N -0.115 122.693 122.820 -0.020 0.000 1.933 1270 A HA -0.243 4.075 4.320 -0.004 0.000 0.218 1270 A C 2.285 179.771 177.584 -0.163 0.000 1.175 1270 A CA 2.005 53.883 52.037 -0.266 0.000 0.628 1270 A CB -0.398 18.074 19.000 -0.880 0.000 0.814 1270 A HN 0.565 nan 8.150 nan 0.000 0.444 1271 K N -1.524 118.791 120.400 -0.142 0.000 2.103 1271 K HA -0.038 4.279 4.320 -0.004 0.000 0.204 1271 K C 1.780 178.376 176.600 -0.006 0.000 1.052 1271 K CA 1.340 57.572 56.287 -0.091 0.000 0.945 1271 K CB -0.337 32.110 32.500 -0.088 0.000 0.722 1271 K HN 0.544 nan 8.250 nan 0.000 0.443 1272 F N 2.063 121.978 119.950 -0.058 0.000 2.069 1272 F HA -0.250 4.275 4.527 -0.004 0.000 0.298 1272 F C 1.799 177.593 175.800 -0.009 0.000 1.113 1272 F CA 1.413 59.400 58.000 -0.022 0.000 1.214 1272 F CB -0.163 38.828 39.000 -0.015 0.000 0.978 1272 F HN -0.115 nan 8.300 nan 0.000 0.474 1273 L N 0.255 121.313 121.223 -0.276 0.000 2.042 1273 L HA -0.241 4.096 4.340 -0.004 0.000 0.210 1273 L C 2.526 179.245 176.870 -0.251 0.000 1.076 1273 L CA 1.993 56.597 54.840 -0.393 0.000 0.749 1273 L CB -0.915 40.956 42.059 -0.313 0.000 0.893 1273 L HN 0.305 nan 8.230 nan 0.000 0.432 1274 E N 0.520 120.630 120.200 -0.150 0.000 2.110 1274 E HA -0.278 4.069 4.350 -0.004 0.000 0.193 1274 E C 1.941 178.480 176.600 -0.101 0.000 0.988 1274 E CA 1.402 57.747 56.400 -0.092 0.000 0.804 1274 E CB 0.143 29.796 29.700 -0.079 0.000 0.745 1274 E HN 0.581 nan 8.360 nan 0.000 0.458 1275 Q N -0.492 119.224 119.800 -0.139 0.000 2.403 1275 Q HA 0.013 4.351 4.340 -0.004 0.000 0.203 1275 Q C 0.238 176.132 176.000 -0.178 0.000 0.932 1275 Q CA 0.475 56.200 55.803 -0.129 0.000 0.945 1275 Q CB -0.046 28.633 28.738 -0.098 0.000 1.045 1275 Q HN 0.179 nan 8.270 nan 0.000 0.511 1276 H N 1.368 120.243 119.070 -0.324 0.000 2.580 1276 H HA 0.121 4.675 4.556 -0.004 0.000 0.322 1276 H C 0.338 175.561 175.328 -0.175 0.000 1.082 1276 H CA 0.119 55.967 56.048 -0.333 0.000 1.383 1276 H CB 1.272 30.696 29.762 -0.564 0.000 1.450 1276 H HN 0.463 nan 8.280 nan 0.000 0.505 1277 E N 3.648 123.633 120.200 -0.359 0.000 2.160 1277 E HA -0.167 4.181 4.350 -0.004 0.000 0.195 1277 E C 1.043 177.679 176.600 0.059 0.000 0.991 1277 E CA 0.909 57.233 56.400 -0.128 0.000 0.810 1277 E CB 0.317 29.906 29.700 -0.185 0.000 0.742 1277 E HN 0.524 nan 8.360 nan 0.000 0.466 1278 K N -0.010 120.560 120.400 0.283 0.000 2.432 1278 K HA 0.002 4.319 4.320 -0.004 0.000 0.196 1278 K C 0.393 177.068 176.600 0.125 0.000 1.038 1278 K CA 0.295 56.693 56.287 0.186 0.000 0.986 1278 K CB 0.440 33.044 32.500 0.173 0.000 0.782 1278 K HN 0.167 nan 8.250 nan 0.000 0.485 1279 I N 1.305 121.944 120.570 0.114 0.000 2.336 1279 I HA 0.036 4.204 4.170 -0.004 0.000 0.292 1279 I C 1.534 177.702 176.117 0.085 0.000 0.991 1279 I CA -0.236 61.121 61.300 0.095 0.000 1.227 1279 I CB 1.546 39.553 38.000 0.013 0.000 1.366 1279 I HN -0.290 nan 8.210 nan 0.000 0.466 1280 V N 5.479 125.460 119.914 0.111 0.000 2.500 1280 V HA 0.073 4.190 4.120 -0.004 0.000 0.243 1280 V C 0.845 176.993 176.094 0.091 0.000 1.039 1280 V CA 1.190 63.542 62.300 0.087 0.000 1.053 1280 V CB -0.114 31.762 31.823 0.089 0.000 0.695 1280 V HN 0.735 nan 8.190 nan 0.000 0.463 1281 K N -0.952 119.527 120.400 0.133 0.000 2.562 1281 K HA 0.596 4.913 4.320 -0.004 0.000 0.267 1281 K C -2.026 174.700 176.600 0.211 0.000 0.938 1281 K CA -0.405 55.968 56.287 0.144 0.000 0.840 1281 K CB 2.835 35.420 32.500 0.141 0.000 1.390 1281 K HN -0.103 nan 8.250 nan 0.000 0.428 1282 V N 2.763 122.796 119.914 0.198 0.000 2.531 1282 V HA 0.336 4.454 4.120 -0.004 0.000 0.301 1282 V C -0.595 175.641 176.094 0.236 0.000 1.034 1282 V CA -0.862 61.591 62.300 0.255 0.000 0.865 1282 V CB 1.685 33.598 31.823 0.151 0.000 0.995 1282 V HN 0.754 nan 8.190 nan 0.000 0.424 1283 N N 3.599 122.464 118.700 0.275 0.000 3.234 1283 N HA 0.203 4.941 4.740 -0.004 0.000 0.272 1283 N C -0.870 174.485 175.510 -0.259 0.000 1.254 1283 N CA -0.275 52.834 53.050 0.099 0.000 1.087 1283 N CB 0.182 38.825 38.487 0.260 0.000 1.356 1283 N HN 0.666 nan 8.380 nan 0.000 0.511 1284 H N 2.603 121.337 119.070 -0.560 0.000 2.539 1284 H HA 0.218 4.772 4.556 -0.004 0.000 0.332 1284 H C -1.969 172.867 175.328 -0.820 0.000 1.031 1284 H CA -2.034 53.621 56.048 -0.654 0.000 1.206 1284 H CB 2.062 31.341 29.762 -0.804 0.000 1.446 1284 H HN 0.256 nan 8.280 nan 0.000 0.496 1285 P HA -0.050 nan 4.420 nan 0.000 0.228 1285 P C 1.070 178.319 177.300 -0.085 0.000 1.151 1285 P CA 0.969 63.896 63.100 -0.289 0.000 0.770 1285 P CB 0.069 31.741 31.700 -0.047 0.000 0.786 1286 G N -0.389 108.197 108.800 -0.357 0.000 2.880 1286 G HA2 0.103 4.060 3.960 -0.004 0.000 0.209 1286 G HA3 0.103 4.060 3.960 -0.004 0.000 0.209 1286 G C 0.643 175.269 174.900 -0.457 0.000 1.157 1286 G CA -0.180 44.429 45.100 -0.818 0.000 0.779 1286 G HN 0.212 nan 8.290 nan 0.000 0.539 1287 L N 0.901 121.900 121.223 -0.372 0.000 2.349 1287 L HA 0.217 4.554 4.340 -0.004 0.000 0.275 1287 L C 1.287 177.852 176.870 -0.508 0.000 1.115 1287 L CA -0.526 54.079 54.840 -0.391 0.000 0.820 1287 L CB 1.269 43.186 42.059 -0.237 0.000 1.135 1287 L HN 0.211 nan 8.230 nan 0.000 0.445 1288 E N 0.938 120.833 120.200 -0.509 0.000 2.204 1288 E HA -0.166 4.182 4.350 -0.004 0.000 0.195 1288 E C 1.826 178.342 176.600 -0.141 0.000 0.990 1288 E CA 1.418 57.564 56.400 -0.423 0.000 0.821 1288 E CB 0.035 29.596 29.700 -0.232 0.000 0.750 1288 E HN 0.814 nan 8.360 nan 0.000 0.477 1289 S N 0.683 116.337 115.700 -0.077 0.000 2.507 1289 S HA -0.110 4.358 4.470 -0.004 0.000 0.235 1289 S C 0.606 175.254 174.600 0.080 0.000 0.988 1289 S CA -0.015 58.187 58.200 0.004 0.000 0.944 1289 S CB -0.398 62.810 63.200 0.013 0.000 0.762 1289 S HN 0.157 nan 8.310 nan 0.000 0.526 1290 F N 4.338 124.260 119.950 -0.046 0.000 2.438 1290 F HA 0.470 4.995 4.527 -0.004 0.000 0.356 1290 F C -2.690 173.151 175.800 0.067 0.000 1.099 1290 F CA -2.973 55.041 58.000 0.022 0.000 1.185 1290 F CB 0.460 39.482 39.000 0.038 0.000 1.115 1290 F HN -0.050 nan 8.300 nan 0.000 0.526 1291 P HA 0.261 nan 4.420 nan 0.000 0.267 1291 P C 0.373 177.447 177.300 -0.378 0.000 1.205 1291 P CA 0.870 63.745 63.100 -0.376 0.000 0.765 1291 P CB 0.817 32.287 31.700 -0.383 0.000 0.828 1292 G N 2.115 110.874 108.800 -0.068 0.000 2.213 1292 G HA2 -0.315 3.643 3.960 -0.004 0.000 0.226 1292 G HA3 -0.315 3.643 3.960 -0.004 0.000 0.226 1292 G C 1.264 176.295 174.900 0.218 0.000 0.992 1292 G CA 0.332 45.468 45.100 0.061 0.000 0.632 1292 G HN 0.682 nan 8.290 nan 0.000 0.511 1293 H N 1.134 120.324 119.070 0.200 0.000 2.319 1293 H HA -0.124 4.429 4.556 -0.004 0.000 0.297 1293 H C 2.096 177.516 175.328 0.153 0.000 1.097 1293 H CA 2.115 58.291 56.048 0.213 0.000 1.285 1293 H CB 0.058 29.919 29.762 0.164 0.000 1.368 1293 H HN 0.437 nan 8.280 nan 0.000 0.495 1294 D N 0.526 120.942 120.400 0.028 0.000 2.104 1294 D HA -0.135 4.502 4.640 -0.004 0.000 0.194 1294 D C 2.523 178.794 176.300 -0.049 0.000 0.994 1294 D CA 1.169 55.144 54.000 -0.041 0.000 0.830 1294 D CB -0.332 40.489 40.800 0.035 0.000 0.959 1294 D HN 0.461 nan 8.370 nan 0.000 0.452 1295 I N 1.172 121.744 120.570 0.004 0.000 2.179 1295 I HA -0.250 3.918 4.170 -0.004 0.000 0.242 1295 I C 2.508 178.637 176.117 0.020 0.000 1.088 1295 I CA 1.105 62.415 61.300 0.015 0.000 1.357 1295 I CB -0.195 37.826 38.000 0.035 0.000 1.051 1295 I HN -0.084 nan 8.210 nan 0.000 0.409 1296 A N 0.838 123.694 122.820 0.060 0.000 1.908 1296 A HA -0.302 4.016 4.320 -0.004 0.000 0.218 1296 A C 2.270 179.878 177.584 0.040 0.000 1.181 1296 A CA 2.325 54.430 52.037 0.114 0.000 0.627 1296 A CB -0.550 18.616 19.000 0.278 0.000 0.818 1296 A HN 0.363 nan 8.150 nan 0.000 0.445 1297 K N -0.091 120.275 120.400 -0.057 0.000 2.097 1297 K HA -0.097 4.221 4.320 -0.004 0.000 0.206 1297 K C 1.858 178.408 176.600 -0.083 0.000 1.049 1297 K CA 1.720 57.945 56.287 -0.104 0.000 0.933 1297 K CB -0.085 32.247 32.500 -0.280 0.000 0.717 1297 K HN 0.296 nan 8.250 nan 0.000 0.442 1298 K N 0.239 120.604 120.400 -0.059 0.000 2.116 1298 K HA -0.008 4.310 4.320 -0.004 0.000 0.203 1298 K C 1.906 178.489 176.600 -0.029 0.000 1.052 1298 K CA 1.267 57.532 56.287 -0.036 0.000 0.952 1298 K CB 0.185 32.672 32.500 -0.022 0.000 0.729 1298 K HN 0.400 nan 8.250 nan 0.000 0.446 1299 Q N -0.630 119.157 119.800 -0.021 0.000 2.356 1299 Q HA 0.211 4.549 4.340 -0.004 0.000 0.205 1299 Q C 0.465 176.457 176.000 -0.014 0.000 0.901 1299 Q CA 0.152 55.950 55.803 -0.008 0.000 0.938 1299 Q CB 0.638 29.380 28.738 0.007 0.000 1.081 1299 Q HN 0.186 nan 8.270 nan 0.000 0.517 1300 M N -0.591 118.979 119.600 -0.050 0.000 2.716 1300 M HA 0.280 4.758 4.480 -0.004 0.000 0.307 1300 M C 0.264 176.472 176.300 -0.153 0.000 1.223 1300 M CA -0.411 54.841 55.300 -0.081 0.000 0.871 1300 M CB 2.008 34.541 32.600 -0.112 0.000 1.739 1300 M HN -0.127 nan 8.290 nan 0.000 0.475 1301 T N -2.610 111.872 114.554 -0.119 0.000 3.085 1301 T HA 0.579 4.926 4.350 -0.004 0.000 0.264 1301 T C 0.369 174.828 174.700 -0.401 0.000 1.019 1301 T CA 0.057 62.073 62.100 -0.139 0.000 0.910 1301 T CB 0.091 68.978 68.868 0.031 0.000 1.059 1301 T HN 0.950 nan 8.240 nan 0.000 0.542 1302 G N -0.009 108.325 108.800 -0.777 0.000 2.427 1302 G HA2 0.523 4.481 3.960 -0.004 0.000 0.306 1302 G HA3 0.523 4.481 3.960 -0.004 0.000 0.306 1302 G C -2.387 171.713 174.900 -1.333 0.000 1.280 1302 G CA -1.044 43.136 45.100 -1.534 0.000 0.837 1302 G HN 0.218 nan 8.290 nan 0.000 0.482 1303 Y N -0.446 119.496 120.300 -0.597 0.000 2.492 1303 Y HA 0.600 5.147 4.550 -0.004 0.000 0.346 1303 Y C 0.949 176.836 175.900 -0.021 0.000 0.997 1303 Y CA -0.259 57.752 58.100 -0.148 0.000 1.025 1303 Y CB 2.214 40.659 38.460 -0.025 0.000 1.263 1303 Y HN 0.880 nan 8.280 nan 0.000 0.454 1304 G N 0.271 109.149 108.800 0.130 0.000 2.631 1304 G HA2 0.329 4.287 3.960 -0.004 0.000 0.271 1304 G HA3 0.329 4.287 3.960 -0.004 0.000 0.271 1304 G C 0.358 175.294 174.900 0.060 0.000 1.302 1304 G CA -0.075 44.982 45.100 -0.072 0.000 1.002 1304 G HN 0.742 nan 8.290 nan 0.000 0.519 1305 S N -1.907 113.874 115.700 0.135 0.000 2.754 1305 S HA 0.296 4.763 4.470 -0.004 0.000 0.247 1305 S C 0.205 174.974 174.600 0.281 0.000 1.031 1305 S CA -0.365 58.008 58.200 0.290 0.000 1.014 1305 S CB 0.395 63.817 63.200 0.370 0.000 0.918 1305 S HN 0.411 nan 8.310 nan 0.000 0.519 1306 T N 3.439 118.019 114.554 0.044 0.000 2.771 1306 T HA 0.719 5.066 4.350 -0.004 0.000 0.281 1306 T C -0.717 173.988 174.700 0.009 0.000 0.982 1306 T CA -0.464 61.538 62.100 -0.163 0.000 0.978 1306 T CB 0.436 68.918 68.868 -0.643 0.000 0.930 1306 T HN 0.533 nan 8.240 nan 0.000 0.447 1307 F N 1.302 121.241 119.950 -0.018 0.000 2.817 1307 F HA 0.790 5.314 4.527 -0.004 0.000 0.317 1307 F C -2.234 173.645 175.800 0.131 0.000 1.168 1307 F CA -1.709 56.317 58.000 0.044 0.000 0.911 1307 F CB 1.151 40.125 39.000 -0.043 0.000 1.337 1307 F HN 0.509 nan 8.300 nan 0.000 0.464 1308 L N 2.138 123.553 121.223 0.321 0.000 2.341 1308 L HA 0.864 5.202 4.340 -0.004 0.000 0.267 1308 L C -1.567 175.508 176.870 0.342 0.000 1.009 1308 L CA -0.920 53.999 54.840 0.132 0.000 0.819 1308 L CB 2.142 44.255 42.059 0.091 0.000 1.323 1308 L HN 0.801 nan 8.230 nan 0.000 0.425 1309 F N 0.439 120.462 119.950 0.121 0.000 2.626 1309 F HA 0.607 5.132 4.527 -0.004 0.000 0.311 1309 F C -0.961 174.898 175.800 0.099 0.000 1.088 1309 F CA -0.908 57.179 58.000 0.146 0.000 0.949 1309 F CB 1.345 40.449 39.000 0.172 0.000 1.322 1309 F HN 0.473 nan 8.300 nan 0.000 0.461 1310 E N 3.235 123.602 120.200 0.279 0.000 2.133 1310 E HA 0.369 4.717 4.350 -0.004 0.000 0.274 1310 E C -0.809 175.917 176.600 0.210 0.000 0.930 1310 E CA -0.878 55.620 56.400 0.162 0.000 0.770 1310 E CB 0.976 30.756 29.700 0.133 0.000 1.104 1310 E HN 0.589 nan 8.360 nan 0.000 0.403 1311 M N 2.953 122.650 119.600 0.161 0.000 2.219 1311 M HA 0.230 4.708 4.480 -0.004 0.000 0.280 1311 M C 0.891 177.254 176.300 0.106 0.000 1.189 1311 M CA 0.000 55.391 55.300 0.151 0.000 1.010 1311 M CB 0.269 32.942 32.600 0.122 0.000 1.422 1311 M HN 0.452 nan 8.290 nan 0.000 0.504 1312 K N 0.209 120.659 120.400 0.084 0.000 2.418 1312 K HA 0.035 4.352 4.320 -0.004 0.000 0.195 1312 K C 0.156 176.796 176.600 0.067 0.000 1.035 1312 K CA 0.367 56.694 56.287 0.066 0.000 1.003 1312 K CB 0.152 32.681 32.500 0.048 0.000 0.793 1312 K HN 0.776 nan 8.250 nan 0.000 0.494 1313 S N -1.721 114.025 115.700 0.076 0.000 2.587 1313 S HA 0.157 4.625 4.470 -0.004 0.000 0.269 1313 S C 0.162 174.836 174.600 0.124 0.000 1.154 1313 S CA -1.016 57.242 58.200 0.097 0.000 0.824 1313 S CB 0.258 63.497 63.200 0.066 0.000 1.118 1313 S HN 0.109 nan 8.310 nan 0.000 0.462 1314 F N 1.719 121.692 119.950 0.038 0.000 2.126 1314 F HA -0.046 4.478 4.527 -0.004 0.000 0.299 1314 F C 2.041 177.834 175.800 -0.012 0.000 1.096 1314 F CA 2.186 60.204 58.000 0.030 0.000 1.255 1314 F CB -0.211 38.809 39.000 0.033 0.000 0.997 1314 F HN 0.758 nan 8.300 nan 0.000 0.479 1315 E N 0.845 120.911 120.200 -0.223 0.000 2.077 1315 E HA -0.172 4.176 4.350 -0.004 0.000 0.193 1315 E C 2.311 178.773 176.600 -0.231 0.000 0.989 1315 E CA 1.393 57.614 56.400 -0.299 0.000 0.800 1315 E CB -0.691 28.954 29.700 -0.090 0.000 0.746 1315 E HN 0.510 nan 8.360 nan 0.000 0.452 1316 A N 0.870 123.618 122.820 -0.118 0.000 1.933 1316 A HA -0.085 4.233 4.320 -0.004 0.000 0.218 1316 A C 2.353 179.897 177.584 -0.068 0.000 1.175 1316 A CA 1.823 53.822 52.037 -0.064 0.000 0.628 1316 A CB -0.809 18.187 19.000 -0.007 0.000 0.814 1316 A HN 0.287 nan 8.150 nan 0.000 0.444 1317 A N 0.327 123.086 122.820 -0.102 0.000 1.877 1317 A HA -0.182 4.135 4.320 -0.004 0.000 0.216 1317 A C 2.145 179.624 177.584 -0.176 0.000 1.186 1317 A CA 2.076 54.060 52.037 -0.088 0.000 0.620 1317 A CB -0.459 18.519 19.000 -0.036 0.000 0.822 1317 A HN 0.637 nan 8.150 nan 0.000 0.443 1318 K N -0.144 120.030 120.400 -0.376 0.000 2.103 1318 K HA -0.127 4.191 4.320 -0.004 0.000 0.204 1318 K C 2.076 178.594 176.600 -0.138 0.000 1.052 1318 K CA 1.650 57.716 56.287 -0.367 0.000 0.945 1318 K CB -0.219 31.897 32.500 -0.639 0.000 0.722 1318 K HN 0.368 nan 8.250 nan 0.000 0.443 1319 K N 0.600 120.954 120.400 -0.077 0.000 2.057 1319 K HA -0.156 4.162 4.320 -0.004 0.000 0.207 1319 K C 2.219 178.932 176.600 0.188 0.000 1.049 1319 K CA 1.235 57.580 56.287 0.097 0.000 0.931 1319 K CB -0.161 32.336 32.500 -0.004 0.000 0.714 1319 K HN 0.190 nan 8.250 nan 0.000 0.440 1320 L N 1.117 122.384 121.223 0.074 0.000 1.970 1320 L HA -0.160 4.177 4.340 -0.004 0.000 0.212 1320 L C 2.137 179.068 176.870 0.101 0.000 1.071 1320 L CA 1.841 56.740 54.840 0.098 0.000 0.751 1320 L CB -0.344 41.778 42.059 0.105 0.000 0.889 1320 L HN 0.246 nan 8.230 nan 0.000 0.432 1321 M N -0.928 118.698 119.600 0.043 0.000 2.279 1321 M HA -0.167 4.311 4.480 -0.004 0.000 0.264 1321 M C 1.444 177.733 176.300 -0.018 0.000 1.062 1321 M CA 1.521 56.831 55.300 0.016 0.000 1.099 1321 M CB -0.246 32.341 32.600 -0.021 0.000 1.394 1321 M HN 0.346 nan 8.290 nan 0.000 0.426 1322 E N -1.192 118.975 120.200 -0.056 0.000 2.463 1322 E HA 0.024 4.372 4.350 -0.004 0.000 0.193 1322 E C 0.273 176.619 176.600 -0.424 0.000 1.041 1322 E CA 0.173 56.440 56.400 -0.223 0.000 0.879 1322 E CB 0.302 29.825 29.700 -0.295 0.000 0.997 1322 E HN 0.562 nan 8.360 nan 0.000 0.478 1323 H N -0.028 119.042 119.070 0.001 0.000 2.665 1323 H HA 0.239 4.792 4.556 -0.004 0.000 0.248 1323 H C -0.171 175.166 175.328 0.015 0.000 1.175 1323 H CA -0.113 55.941 56.048 0.010 0.000 0.952 1323 H CB 0.689 30.460 29.762 0.016 0.000 1.883 1323 H HN 0.015 nan 8.280 nan 0.000 0.623 1324 L N 1.174 122.439 121.223 0.070 0.000 2.357 1324 L HA 0.247 4.585 4.340 -0.004 0.000 0.273 1324 L C 1.090 177.979 176.870 0.031 0.000 1.080 1324 L CA -0.403 54.470 54.840 0.054 0.000 0.803 1324 L CB 1.293 43.380 42.059 0.047 0.000 1.174 1324 L HN -0.026 nan 8.230 nan 0.000 0.443 1325 K N 1.477 121.894 120.400 0.028 0.000 2.391 1325 K HA 0.164 4.481 4.320 -0.004 0.000 0.197 1325 K C 1.109 177.716 176.600 0.012 0.000 1.087 1325 K CA 0.400 56.698 56.287 0.018 0.000 1.012 1325 K CB 0.817 33.328 32.500 0.019 0.000 0.925 1325 K HN 0.421 nan 8.250 nan 0.000 0.547 1326 V N 1.025 120.946 119.914 0.013 0.000 2.806 1326 V HA 0.033 4.151 4.120 -0.004 0.000 0.239 1326 V C 1.140 177.241 176.094 0.012 0.000 1.113 1326 V CA 0.181 62.486 62.300 0.009 0.000 1.137 1326 V CB 0.155 31.981 31.823 0.005 0.000 0.865 1326 V HN 0.113 nan 8.190 nan 0.000 0.482 1327 C N 1.789 121.099 119.300 0.018 0.000 2.679 1327 C HA 0.373 4.831 4.460 -0.004 0.000 0.417 1327 C C 0.895 175.893 174.990 0.013 0.000 1.302 1327 C CA 0.105 59.135 59.018 0.020 0.000 1.973 1327 C CB -0.573 27.186 27.740 0.033 0.000 2.715 1327 C HN 0.460 nan 8.230 nan 0.000 0.628 1328 T N 3.538 118.098 114.554 0.009 0.000 2.770 1328 T HA 0.343 4.691 4.350 -0.004 0.000 0.283 1328 T C -0.317 174.385 174.700 0.004 0.000 0.988 1328 T CA -0.301 61.801 62.100 0.004 0.000 0.957 1328 T CB 0.919 69.788 68.868 0.002 0.000 0.930 1328 T HN 0.492 nan 8.240 nan 0.000 0.443 1329 L N 4.438 125.662 121.223 0.002 0.000 2.456 1329 L HA 0.592 4.930 4.340 -0.004 0.000 0.277 1329 L C -0.026 176.850 176.870 0.009 0.000 1.124 1329 L CA 0.602 55.445 54.840 0.005 0.000 0.880 1329 L CB -1.122 40.934 42.059 -0.005 0.000 1.192 1329 L HN 0.878 nan 8.230 nan 0.000 0.463 1330 A N 3.814 126.643 122.820 0.015 0.000 2.569 1330 A HA 0.575 4.892 4.320 -0.004 0.000 0.292 1330 A C -0.741 176.858 177.584 0.026 0.000 1.032 1330 A CA -0.227 51.822 52.037 0.019 0.000 0.669 1330 A CB 0.359 19.365 19.000 0.010 0.000 1.290 1330 A HN 1.078 nan 8.150 nan 0.000 0.422 1331 V N -0.425 119.510 119.914 0.036 0.000 3.556 1331 V HA 0.908 5.026 4.120 -0.004 0.000 0.292 1331 V C 0.689 176.803 176.094 0.033 0.000 1.030 1331 V CA 0.554 62.885 62.300 0.051 0.000 1.009 1331 V CB 0.785 32.652 31.823 0.073 0.000 1.242 1331 V HN 2.923 nan 8.190 nan 0.000 0.431 1332 S N -0.484 115.243 115.700 0.044 0.000 3.976 1332 S HA -0.007 4.460 4.470 -0.004 0.000 0.652 1332 S C -0.946 173.629 174.600 -0.042 0.000 1.522 1332 S CA 0.670 58.871 58.200 0.002 0.000 1.667 1332 S CB -1.129 62.060 63.200 -0.019 0.000 0.332 1332 S HN 2.552 nan 8.310 nan 0.000 1.594 1333 L N -1.578 119.573 121.223 -0.120 0.000 2.999 1333 L HA 0.820 5.158 4.340 -0.004 0.000 0.274 1333 L C 0.864 177.462 176.870 -0.453 0.000 1.044 1333 L CA -0.029 54.668 54.840 -0.239 0.000 0.943 1333 L CB 0.834 42.755 42.059 -0.231 0.000 1.522 1333 L HN 2.224 nan 8.230 nan 0.000 0.400 1334 G N -0.624 107.718 108.800 -0.763 0.000 2.143 1334 G HA2 -0.200 3.758 3.960 -0.004 0.000 0.248 1334 G HA3 -0.200 3.758 3.960 -0.004 0.000 0.248 1334 G C 0.212 174.742 174.900 -0.617 0.000 0.991 1334 G CA 0.157 44.381 45.100 -1.459 0.000 0.689 1334 G HN 0.824 nan 8.290 nan 0.000 0.522 1335 C N -0.371 118.751 119.300 -0.297 0.000 2.422 1335 C HA 0.502 4.959 4.460 -0.004 0.000 0.364 1335 C C 2.523 177.525 174.990 0.020 0.000 1.251 1335 C CA -0.121 58.827 59.018 -0.116 0.000 2.441 1335 C CB 1.159 28.849 27.740 -0.084 0.000 2.393 1335 C HN 0.873 nan 8.230 nan 0.000 0.606 1336 V N -0.008 119.879 119.914 -0.044 0.000 2.594 1336 V HA -0.060 4.058 4.120 -0.004 0.000 0.253 1336 V C 0.765 176.857 176.094 -0.004 0.000 1.069 1336 V CA 1.793 64.065 62.300 -0.047 0.000 1.082 1336 V CB -1.017 30.688 31.823 -0.197 0.000 0.680 1336 V HN 0.941 nan 8.190 nan 0.000 0.469 1337 D N -0.283 120.115 120.400 -0.004 0.000 2.268 1337 D HA 0.242 4.880 4.640 -0.004 0.000 0.249 1337 D C -0.433 175.880 176.300 0.020 0.000 1.008 1337 D CA -0.439 53.565 54.000 0.007 0.000 0.939 1337 D CB 1.610 42.408 40.800 -0.003 0.000 1.170 1337 D HN 0.135 nan 8.370 nan 0.000 0.468 1338 T N 1.074 115.643 114.554 0.025 0.000 2.832 1338 T HA 0.408 4.756 4.350 -0.004 0.000 0.296 1338 T C 0.221 174.926 174.700 0.008 0.000 0.968 1338 T CA -0.406 61.712 62.100 0.029 0.000 1.107 1338 T CB 0.338 69.229 68.868 0.039 0.000 0.916 1338 T HN 0.182 nan 8.240 nan 0.000 0.517 1339 L N 3.482 124.700 121.223 -0.008 0.000 2.319 1339 L HA 0.760 5.098 4.340 -0.004 0.000 0.267 1339 L C -0.408 176.454 176.870 -0.013 0.000 1.011 1339 L CA -1.129 53.704 54.840 -0.013 0.000 0.818 1339 L CB 1.885 43.928 42.059 -0.027 0.000 1.316 1339 L HN 0.541 nan 8.230 nan 0.000 0.432 1340 I N 0.552 121.122 120.570 -0.001 0.000 2.913 1340 I HA 0.492 4.660 4.170 -0.004 0.000 0.302 1340 I C -1.484 174.639 176.117 0.011 0.000 1.246 1340 I CA -0.108 61.193 61.300 0.001 0.000 1.010 1340 I CB 2.492 40.508 38.000 0.025 0.000 1.259 1340 I HN 0.682 nan 8.210 nan 0.000 0.434 1341 E N 4.640 124.846 120.200 0.011 0.000 2.401 1341 E HA 0.199 4.547 4.350 -0.004 0.000 0.280 1341 E C -1.923 174.725 176.600 0.079 0.000 1.039 1341 E CA -0.601 55.828 56.400 0.049 0.000 0.814 1341 E CB 1.931 31.658 29.700 0.044 0.000 1.275 1341 E HN 0.721 nan 8.360 nan 0.000 0.448 1342 H N 4.238 123.312 119.070 0.006 0.000 2.691 1342 H HA 0.296 4.850 4.556 -0.004 0.000 0.281 1342 H C -1.970 173.380 175.328 0.036 0.000 1.121 1342 H CA -2.105 53.953 56.048 0.016 0.000 1.254 1342 H CB 1.506 31.309 29.762 0.069 0.000 1.390 1342 H HN 0.156 nan 8.280 nan 0.000 0.491 1343 P HA -0.144 nan 4.420 nan 0.000 0.216 1343 P C 1.319 178.540 177.300 -0.132 0.000 1.150 1343 P CA 1.613 64.657 63.100 -0.094 0.000 0.837 1343 P CB 0.231 31.845 31.700 -0.144 0.000 0.786 1344 A N -0.123 122.476 122.820 -0.370 0.000 1.972 1344 A HA -0.144 4.174 4.320 -0.004 0.000 0.219 1344 A C 2.106 179.648 177.584 -0.071 0.000 1.169 1344 A CA 2.212 54.110 52.037 -0.230 0.000 0.635 1344 A CB -1.260 17.563 19.000 -0.295 0.000 0.810 1344 A HN 0.358 nan 8.150 nan 0.000 0.446 1345 S N -2.734 112.992 115.700 0.043 0.000 2.539 1345 S HA 0.487 4.955 4.470 -0.004 0.000 0.221 1345 S C 1.001 175.662 174.600 0.102 0.000 0.987 1345 S CA 0.257 58.539 58.200 0.138 0.000 0.929 1345 S CB 0.053 63.407 63.200 0.258 0.000 0.832 1345 S HN 0.452 nan 8.310 nan 0.000 0.492 1346 M N 1.038 120.686 119.600 0.081 0.000 2.980 1346 M HA 0.168 4.645 4.480 -0.004 0.000 0.163 1346 M C 2.130 178.457 176.300 0.045 0.000 2.004 1346 M CA 0.820 56.163 55.300 0.070 0.000 1.585 1346 M CB -0.545 32.113 32.600 0.097 0.000 1.125 1346 M HN 0.220 nan 8.290 nan 0.000 0.648 1347 T N -1.511 113.092 114.554 0.082 0.000 2.897 1347 T HA -0.137 4.211 4.350 -0.004 0.000 0.271 1347 T C 1.133 175.766 174.700 -0.113 0.000 1.084 1347 T CA 1.418 63.556 62.100 0.063 0.000 1.123 1347 T CB -0.476 68.528 68.868 0.226 0.000 0.865 1347 T HN 0.421 nan 8.240 nan 0.000 0.496 1348 H N -0.915 118.113 119.070 -0.069 0.000 2.916 1348 H HA 0.590 5.143 4.556 -0.004 0.000 0.262 1348 H C 2.009 177.284 175.328 -0.088 0.000 1.178 1348 H CA 0.216 56.206 56.048 -0.096 0.000 1.090 1348 H CB 0.582 30.294 29.762 -0.084 0.000 1.657 1348 H HN 0.476 nan 8.280 nan 0.000 0.601 1349 A N 0.853 123.668 122.820 -0.007 0.000 2.172 1349 A HA 0.061 4.379 4.320 -0.004 0.000 0.216 1349 A C 2.211 179.763 177.584 -0.053 0.000 1.154 1349 A CA 1.294 53.317 52.037 -0.023 0.000 0.701 1349 A CB -0.170 18.823 19.000 -0.011 0.000 0.789 1349 A HN 0.339 nan 8.150 nan 0.000 0.465 1350 A N -0.838 121.927 122.820 -0.090 0.000 2.267 1350 A HA 0.446 4.764 4.320 -0.004 0.000 0.213 1350 A C 0.669 178.185 177.584 -0.113 0.000 1.192 1350 A CA 0.016 51.989 52.037 -0.107 0.000 0.851 1350 A CB -0.088 18.834 19.000 -0.131 0.000 0.881 1350 A HN 0.191 nan 8.150 nan 0.000 0.494 1351 V N 2.790 122.642 119.914 -0.103 0.000 2.479 1351 V HA 0.142 4.260 4.120 -0.004 0.000 0.281 1351 V C -2.170 173.895 176.094 -0.049 0.000 1.031 1351 V CA -1.272 60.983 62.300 -0.076 0.000 1.038 1351 V CB 0.427 32.237 31.823 -0.023 0.000 0.981 1351 V HN 0.280 nan 8.190 nan 0.000 0.478 1352 P HA 0.007 nan 4.420 nan 0.000 0.263 1352 P C 1.010 178.293 177.300 -0.029 0.000 1.175 1352 P CA 0.118 63.192 63.100 -0.043 0.000 0.761 1352 P CB 0.564 32.239 31.700 -0.042 0.000 0.794 1353 E N 2.354 122.536 120.200 -0.029 0.000 2.097 1353 E HA -0.291 4.057 4.350 -0.004 0.000 0.196 1353 E C 1.635 178.225 176.600 -0.018 0.000 1.000 1353 E CA 1.655 58.041 56.400 -0.024 0.000 0.804 1353 E CB -0.341 29.343 29.700 -0.026 0.000 0.740 1353 E HN 0.554 nan 8.360 nan 0.000 0.454 1354 N N 0.405 119.095 118.700 -0.018 0.000 2.049 1354 N HA -0.216 4.522 4.740 -0.004 0.000 0.198 1354 N C 1.837 177.343 175.510 -0.007 0.000 1.030 1354 N CA 2.066 55.109 53.050 -0.012 0.000 0.870 1354 N CB -0.153 38.326 38.487 -0.014 0.000 1.045 1354 N HN 0.107 nan 8.380 nan 0.000 0.434 1355 I N -0.560 120.006 120.570 -0.006 0.000 2.584 1355 I HA -0.076 4.092 4.170 -0.004 0.000 0.255 1355 I C 2.351 178.472 176.117 0.007 0.000 1.145 1355 I CA 0.421 61.723 61.300 0.004 0.000 1.462 1355 I CB -0.186 37.818 38.000 0.005 0.000 1.102 1355 I HN 0.320 nan 8.210 nan 0.000 0.433 1356 M N 0.888 120.488 119.600 0.001 0.000 2.149 1356 M HA -0.202 4.276 4.480 -0.004 0.000 0.261 1356 M C 2.385 178.677 176.300 -0.013 0.000 1.064 1356 M CA 1.873 57.171 55.300 -0.003 0.000 1.102 1356 M CB -0.120 32.474 32.600 -0.010 0.000 1.369 1356 M HN 0.019 nan 8.290 nan 0.000 0.408 1357 R N 0.543 121.036 120.500 -0.011 0.000 2.075 1357 R HA -0.147 4.191 4.340 -0.004 0.000 0.232 1357 R C 2.184 178.480 176.300 -0.006 0.000 1.126 1357 R CA 1.905 57.998 56.100 -0.010 0.000 0.963 1357 R CB -0.378 29.917 30.300 -0.009 0.000 0.858 1357 R HN 0.570 nan 8.270 nan 0.000 0.435 1358 K N 0.203 120.602 120.400 -0.002 0.000 2.361 1358 K HA -0.016 4.302 4.320 -0.004 0.000 0.196 1358 K C 1.582 178.184 176.600 0.004 0.000 1.039 1358 K CA 0.707 56.996 56.287 0.003 0.000 1.001 1358 K CB 0.220 32.724 32.500 0.007 0.000 0.795 1358 K HN 0.076 nan 8.250 nan 0.000 0.495 1359 Q N 0.538 120.338 119.800 -0.001 0.000 2.435 1359 Q HA 0.041 4.378 4.340 -0.004 0.000 0.207 1359 Q C 0.491 176.479 176.000 -0.019 0.000 0.956 1359 Q CA 0.701 56.498 55.803 -0.009 0.000 0.917 1359 Q CB 0.178 28.905 28.738 -0.017 0.000 0.997 1359 Q HN 0.680 nan 8.270 nan 0.000 0.497 1360 G N 1.470 110.261 108.800 -0.015 0.000 2.176 1360 G HA2 -0.266 3.692 3.960 -0.004 0.000 0.252 1360 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.252 1360 G C -0.074 174.810 174.900 -0.028 0.000 1.024 1360 G CA -0.106 44.988 45.100 -0.011 0.000 0.755 1360 G HN 0.295 nan 8.290 nan 0.000 0.507 1361 I N 2.059 122.599 120.570 -0.050 0.000 2.304 1361 I HA 0.479 4.647 4.170 -0.004 0.000 0.291 1361 I C 0.908 176.986 176.117 -0.066 0.000 1.018 1361 I CA 0.144 61.396 61.300 -0.081 0.000 1.260 1361 I CB 1.318 39.243 38.000 -0.124 0.000 1.390 1361 I HN 0.313 nan 8.210 nan 0.000 0.475 1362 T N 2.577 117.094 114.554 -0.061 0.000 2.930 1362 T HA 0.451 4.799 4.350 -0.004 0.000 0.290 1362 T C -2.274 172.405 174.700 -0.035 0.000 1.052 1362 T CA -2.093 59.986 62.100 -0.036 0.000 1.017 1362 T CB 1.994 70.862 68.868 0.001 0.000 1.137 1362 T HN 0.157 nan 8.240 nan 0.000 0.511 1363 P HA 0.050 nan 4.420 nan 0.000 0.228 1363 P C 0.651 178.186 177.300 0.390 0.000 1.151 1363 P CA 0.689 63.902 63.100 0.188 0.000 0.770 1363 P CB 0.019 31.771 31.700 0.086 0.000 0.786 1364 E N -1.129 119.189 120.200 0.196 0.000 2.502 1364 E HA 0.071 4.419 4.350 -0.004 0.000 0.194 1364 E C 0.353 177.012 176.600 0.097 0.000 1.062 1364 E CA 0.177 56.681 56.400 0.175 0.000 0.867 1364 E CB -0.293 29.475 29.700 0.115 0.000 0.888 1364 E HN 0.282 nan 8.360 nan 0.000 0.510 1365 L N 0.676 121.915 121.223 0.026 0.000 2.307 1365 L HA 0.424 4.762 4.340 -0.004 0.000 0.282 1365 L C -0.427 176.347 176.870 -0.159 0.000 1.051 1365 L CA -0.926 53.857 54.840 -0.095 0.000 0.804 1365 L CB 1.377 43.371 42.059 -0.108 0.000 1.197 1365 L HN -0.208 nan 8.230 nan 0.000 0.431 1366 V N 3.162 122.836 119.914 -0.399 0.000 2.540 1366 V HA 0.467 4.585 4.120 -0.004 0.000 0.302 1366 V C -0.177 175.572 176.094 -0.575 0.000 1.035 1366 V CA -0.716 61.297 62.300 -0.478 0.000 0.873 1366 V CB 2.140 33.526 31.823 -0.729 0.000 0.992 1366 V HN 0.699 nan 8.190 nan 0.000 0.428 1367 R N 3.743 124.070 120.500 -0.288 0.000 2.393 1367 R HA 0.711 5.048 4.340 -0.004 0.000 0.310 1367 R C -1.310 174.881 176.300 -0.181 0.000 0.968 1367 R CA -0.520 55.455 56.100 -0.208 0.000 0.867 1367 R CB 1.517 31.782 30.300 -0.059 0.000 1.124 1367 R HN 0.787 nan 8.270 nan 0.000 0.450 1368 I N 2.012 122.431 120.570 -0.252 0.000 2.569 1368 I HA 0.250 4.418 4.170 -0.004 0.000 0.296 1368 I C -1.002 174.968 176.117 -0.244 0.000 1.028 1368 I CA -0.366 60.814 61.300 -0.200 0.000 1.082 1368 I CB 2.190 40.104 38.000 -0.143 0.000 1.264 1368 I HN 0.558 nan 8.210 nan 0.000 0.429 1369 S N 6.731 122.357 115.700 -0.124 0.000 2.601 1369 S HA 0.435 4.903 4.470 -0.004 0.000 0.312 1369 S C -0.767 173.833 174.600 -0.000 0.000 1.107 1369 S CA -0.557 57.584 58.200 -0.099 0.000 1.129 1369 S CB 0.452 63.567 63.200 -0.141 0.000 0.982 1369 S HN 0.398 nan 8.310 nan 0.000 0.469 1370 V N 5.511 125.486 119.914 0.100 0.000 2.508 1370 V HA 0.440 4.557 4.120 -0.004 0.000 0.281 1370 V C 1.481 177.750 176.094 0.291 0.000 1.041 1370 V CA 0.168 62.580 62.300 0.188 0.000 1.016 1370 V CB 0.664 32.654 31.823 0.278 0.000 0.984 1370 V HN 0.892 nan 8.190 nan 0.000 0.478 1371 G N 3.761 112.685 108.800 0.207 0.000 2.509 1371 G HA2 0.443 4.401 3.960 -0.004 0.000 0.269 1371 G HA3 0.443 4.401 3.960 -0.004 0.000 0.269 1371 G C 0.611 175.548 174.900 0.061 0.000 1.416 1371 G CA -0.272 44.952 45.100 0.206 0.000 1.052 1371 G HN 0.910 nan 8.290 nan 0.000 0.542 1372 I N -2.233 118.286 120.570 -0.084 0.000 3.976 1372 I HA 0.383 4.551 4.170 -0.004 0.000 0.337 1372 I C -0.133 175.947 176.117 -0.062 0.000 1.359 1372 I CA -0.340 60.873 61.300 -0.146 0.000 1.098 1372 I CB -0.029 37.819 38.000 -0.254 0.000 1.027 1372 I HN 0.119 nan 8.210 nan 0.000 0.394 1373 E N 2.415 122.599 120.200 -0.026 0.000 2.458 1373 E HA -0.076 4.272 4.350 -0.004 0.000 0.264 1373 E C 0.050 176.643 176.600 -0.012 0.000 1.097 1373 E CA 0.152 56.543 56.400 -0.014 0.000 0.973 1373 E CB 0.138 29.836 29.700 -0.003 0.000 0.963 1373 E HN 0.395 nan 8.360 nan 0.000 0.451 1374 N N 0.556 119.248 118.700 -0.013 0.000 2.359 1374 N HA -0.118 4.619 4.740 -0.004 0.000 0.261 1374 N C 0.702 176.203 175.510 -0.014 0.000 1.267 1374 N CA 0.104 53.146 53.050 -0.013 0.000 0.864 1374 N CB 0.663 39.142 38.487 -0.015 0.000 1.063 1374 N HN 0.355 nan 8.380 nan 0.000 0.474 1375 V N 3.275 123.183 119.914 -0.011 0.000 2.407 1375 V HA -0.206 3.912 4.120 -0.004 0.000 0.248 1375 V C 1.100 177.165 176.094 -0.048 0.000 1.055 1375 V CA 2.008 64.300 62.300 -0.013 0.000 1.049 1375 V CB -0.485 31.339 31.823 0.001 0.000 0.662 1375 V HN 0.783 nan 8.190 nan 0.000 0.455 1376 D N 0.028 120.397 120.400 -0.052 0.000 2.144 1376 D HA -0.154 4.483 4.640 -0.004 0.000 0.199 1376 D C 1.821 178.071 176.300 -0.083 0.000 0.984 1376 D CA 1.591 55.544 54.000 -0.078 0.000 0.834 1376 D CB -0.299 40.468 40.800 -0.056 0.000 0.955 1376 D HN 0.524 nan 8.370 nan 0.000 0.465 1377 D N 0.384 120.752 120.400 -0.054 0.000 2.149 1377 D HA -0.046 4.592 4.640 -0.004 0.000 0.201 1377 D C 2.349 178.619 176.300 -0.051 0.000 0.972 1377 D CA 0.292 54.264 54.000 -0.045 0.000 0.835 1377 D CB -0.155 40.630 40.800 -0.026 0.000 0.966 1377 D HN 0.286 nan 8.370 nan 0.000 0.476 1378 I N 0.770 121.312 120.570 -0.046 0.000 2.142 1378 I HA -0.222 3.946 4.170 -0.004 0.000 0.240 1378 I C 2.447 178.506 176.117 -0.096 0.000 1.078 1378 I CA 0.834 62.110 61.300 -0.039 0.000 1.343 1378 I CB -0.181 37.818 38.000 -0.002 0.000 1.046 1378 I HN -0.079 nan 8.210 nan 0.000 0.405 1379 I N 0.807 121.269 120.570 -0.180 0.000 2.226 1379 I HA -0.292 3.876 4.170 -0.004 0.000 0.245 1379 I C 2.787 178.673 176.117 -0.387 0.000 1.100 1379 I CA 1.349 62.399 61.300 -0.417 0.000 1.374 1379 I CB -0.493 37.157 38.000 -0.583 0.000 1.057 1379 I HN 0.199 nan 8.210 nan 0.000 0.413 1380 A N 0.255 122.938 122.820 -0.228 0.000 1.978 1380 A HA -0.304 4.013 4.320 -0.004 0.000 0.220 1380 A C 1.981 179.519 177.584 -0.077 0.000 1.170 1380 A CA 2.354 54.307 52.037 -0.140 0.000 0.636 1380 A CB -0.639 18.311 19.000 -0.085 0.000 0.810 1380 A HN 0.459 nan 8.150 nan 0.000 0.448 1381 D N -0.317 120.046 120.400 -0.061 0.000 2.123 1381 D HA -0.069 4.569 4.640 -0.004 0.000 0.200 1381 D C 1.846 178.150 176.300 0.007 0.000 0.976 1381 D CA 1.064 55.056 54.000 -0.014 0.000 0.831 1381 D CB -0.182 40.615 40.800 -0.005 0.000 0.974 1381 D HN 0.420 nan 8.370 nan 0.000 0.469 1382 L N 0.054 121.273 121.223 -0.007 0.000 2.056 1382 L HA -0.089 4.248 4.340 -0.004 0.000 0.207 1382 L C 2.609 179.523 176.870 0.073 0.000 1.078 1382 L CA 1.023 55.891 54.840 0.047 0.000 0.749 1382 L CB -0.421 41.689 42.059 0.084 0.000 0.901 1382 L HN 0.030 nan 8.230 nan 0.000 0.433 1383 K N 0.402 120.842 120.400 0.066 0.000 2.032 1383 K HA -0.270 4.047 4.320 -0.004 0.000 0.209 1383 K C 2.199 178.859 176.600 0.101 0.000 1.048 1383 K CA 1.989 58.372 56.287 0.159 0.000 0.927 1383 K CB 0.028 32.592 32.500 0.106 0.000 0.712 1383 K HN 0.356 nan 8.250 nan 0.000 0.441 1384 Q N -0.003 119.831 119.800 0.057 0.000 2.119 1384 Q HA -0.060 4.277 4.340 -0.004 0.000 0.201 1384 Q C 1.784 177.816 176.000 0.053 0.000 0.972 1384 Q CA 1.683 57.519 55.803 0.055 0.000 0.847 1384 Q CB -0.513 28.249 28.738 0.039 0.000 0.903 1384 Q HN 0.289 nan 8.270 nan 0.000 0.433 1385 A N 1.060 123.912 122.820 0.054 0.000 1.897 1385 A HA 0.015 4.333 4.320 -0.004 0.000 0.215 1385 A C 2.176 179.775 177.584 0.024 0.000 1.181 1385 A CA 1.158 53.227 52.037 0.053 0.000 0.620 1385 A CB -0.705 18.349 19.000 0.090 0.000 0.821 1385 A HN 0.392 nan 8.150 nan 0.000 0.443 1386 L N -0.642 120.589 121.223 0.014 0.000 2.191 1386 L HA -0.134 4.203 4.340 -0.004 0.000 0.212 1386 L C 1.599 178.497 176.870 0.047 0.000 1.103 1386 L CA 1.161 55.987 54.840 -0.024 0.000 0.769 1386 L CB -0.327 41.597 42.059 -0.225 0.000 0.908 1386 L HN 0.450 nan 8.230 nan 0.000 0.438 1387 E N -0.098 120.148 120.200 0.077 0.000 2.437 1387 E HA 0.176 4.524 4.350 -0.004 0.000 0.195 1387 E C 0.083 176.724 176.600 0.068 0.000 1.029 1387 E CA -0.306 56.152 56.400 0.096 0.000 0.948 1387 E CB 0.395 30.173 29.700 0.130 0.000 1.082 1387 E HN 0.372 nan 8.360 nan 0.000 0.456 1388 L N 2.013 123.256 121.223 0.033 0.000 2.456 1388 L HA 0.019 4.357 4.340 -0.004 0.000 0.272 1388 L C 0.975 177.887 176.870 0.070 0.000 1.189 1388 L CA -0.246 54.612 54.840 0.030 0.000 0.846 1388 L CB 0.348 42.359 42.059 -0.080 0.000 1.111 1388 L HN 0.368 nan 8.230 nan 0.000 0.475 1389 W N 0.000 121.268 121.300 -0.053 0.000 2.388 1389 W HA 0.000 4.658 4.660 -0.004 0.000 0.303 1389 W CA 0.000 57.319 57.345 -0.044 0.000 1.226 1389 W CB 0.000 29.437 29.460 -0.038 0.000 1.126 1389 W HN 0.000 nan 8.180 nan 0.000 0.535