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 2j4u_1_R DATA FIRST_RESID 1001 DATA SEQUENCE AEVYNKDGNK LDLYGKVDGL HYFSDNKDVD GDQTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNSAENENN SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYGSDNF MQQRGNGFAT YRNTDFFGLV DGLNFAVQYQ DATA SEQUENCE GKNGNPSGEG FTSGVTNNGR DXXXXXXXXX GGSITYDYEG FGIGGAISSS DATA SEQUENCE KRTDAQNTAA YIGNGDRAET YTGGLKYDAN NIYLAAQYTQ TYNATRVGSL DATA SEQUENCE GWANKAQNFE AVAQYQFDFG LRPSLAYLQS KGKNLGRGYD DEDILKYVDV DATA SEQUENCE GATYYFNKNM STYVDYKINL LDDNQFTRDA GINTDNIVAL GLVYQF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 A HA 0.000 nan 4.320 nan 0.000 0.244 1001 A C 0.000 177.695 177.584 0.185 0.000 1.274 1001 A CA 0.000 52.175 52.037 0.230 0.000 0.836 1001 A CB 0.000 19.199 19.000 0.332 0.000 0.831 1002 E N 2.494 122.765 120.200 0.118 0.000 1.943 1002 E HA 0.241 4.591 4.350 -0.000 0.000 0.254 1002 E C 0.777 177.444 176.600 0.113 0.000 1.239 1002 E CA 0.356 56.818 56.400 0.102 0.000 1.027 1002 E CB -0.629 29.106 29.700 0.059 0.000 1.087 1002 E HN 1.087 nan 8.360 nan 0.000 0.437 1003 V N 2.402 122.406 119.914 0.150 0.000 2.214 1003 V HA -0.037 4.083 4.120 -0.000 0.000 0.132 1003 V C 1.197 177.389 176.094 0.164 0.000 0.813 1003 V CA 0.215 62.608 62.300 0.154 0.000 1.369 1003 V CB -1.021 30.905 31.823 0.171 0.000 0.817 1003 V HN 0.609 nan 8.190 nan 0.000 0.415 1004 Y N 2.771 123.091 120.300 0.033 0.000 3.053 1004 Y HA 0.090 4.640 4.550 -0.000 0.000 0.346 1004 Y C 0.723 176.636 175.900 0.021 0.000 1.279 1004 Y CA 1.921 60.031 58.100 0.018 0.000 1.513 1004 Y CB 0.047 38.508 38.460 0.001 0.000 1.295 1004 Y HN 0.872 nan 8.280 nan 0.000 0.642 1005 N N 3.807 122.336 118.700 -0.285 0.000 3.866 1005 N HA 0.048 4.788 4.740 -0.000 0.000 0.151 1005 N C -2.079 173.232 175.510 -0.333 0.000 1.455 1005 N CA -0.551 52.388 53.050 -0.185 0.000 1.007 1005 N CB 0.049 38.501 38.487 -0.059 0.000 1.739 1005 N HN 0.665 nan 8.380 nan 0.000 0.709 1006 K N 1.776 121.907 120.400 -0.449 0.000 2.507 1006 K HA 0.304 4.624 4.320 -0.000 0.000 0.251 1006 K C -1.147 175.380 176.600 -0.123 0.000 0.943 1006 K CA -0.464 55.605 56.287 -0.362 0.000 0.794 1006 K CB 0.957 33.056 32.500 -0.669 0.000 1.188 1006 K HN 0.414 nan 8.250 nan 0.000 0.428 1007 D N 3.482 123.842 120.400 -0.067 0.000 3.861 1007 D HA -0.243 4.397 4.640 -0.000 0.000 0.222 1007 D C 0.545 176.858 176.300 0.022 0.000 1.063 1007 D CA 1.432 55.426 54.000 -0.009 0.000 1.163 1007 D CB -1.273 39.531 40.800 0.007 0.000 0.765 1007 D HN 0.917 nan 8.370 nan 0.000 0.383 1008 G N 3.642 112.453 108.800 0.018 0.000 5.206 1008 G HA2 -0.464 3.495 3.960 -0.000 0.000 0.328 1008 G HA3 -0.464 3.495 3.960 -0.000 0.000 0.328 1008 G C 0.287 175.217 174.900 0.050 0.000 1.382 1008 G CA 0.581 45.702 45.100 0.035 0.000 0.994 1008 G HN 1.066 nan 8.290 nan 0.000 0.800 1009 N N 2.113 120.860 118.700 0.077 0.000 2.359 1009 N HA 0.239 4.979 4.740 -0.000 0.000 0.261 1009 N C -0.313 175.284 175.510 0.145 0.000 1.267 1009 N CA 1.436 54.556 53.050 0.115 0.000 0.864 1009 N CB 0.084 38.656 38.487 0.142 0.000 1.063 1009 N HN 0.773 nan 8.380 nan 0.000 0.474 1010 K N 3.238 123.717 120.400 0.132 0.000 2.513 1010 K HA 0.424 4.744 4.320 -0.000 0.000 0.251 1010 K C -1.001 175.687 176.600 0.147 0.000 0.939 1010 K CA -0.673 55.698 56.287 0.140 0.000 0.793 1010 K CB 1.612 34.156 32.500 0.075 0.000 1.241 1010 K HN 0.269 nan 8.250 nan 0.000 0.431 1011 L N 1.896 123.225 121.223 0.177 0.000 2.343 1011 L HA 0.483 4.823 4.340 -0.000 0.000 0.275 1011 L C -0.892 176.077 176.870 0.165 0.000 1.056 1011 L CA -0.518 54.412 54.840 0.149 0.000 0.804 1011 L CB 1.640 43.779 42.059 0.135 0.000 1.203 1011 L HN 0.880 nan 8.230 nan 0.000 0.440 1012 D N 3.584 124.107 120.400 0.204 0.000 2.346 1012 D HA 0.173 4.813 4.640 -0.000 0.000 0.255 1012 D C -0.897 175.611 176.300 0.347 0.000 1.276 1012 D CA -0.422 53.716 54.000 0.231 0.000 0.941 1012 D CB 0.835 41.733 40.800 0.164 0.000 1.199 1012 D HN 0.139 nan 8.370 nan 0.000 0.537 1013 L N 4.516 125.926 121.223 0.313 0.000 2.455 1013 L HA 0.268 4.608 4.340 -0.000 0.000 0.272 1013 L C -0.755 176.332 176.870 0.361 0.000 1.174 1013 L CA 0.235 55.281 54.840 0.343 0.000 0.869 1013 L CB -0.083 42.179 42.059 0.340 0.000 1.130 1013 L HN 0.547 nan 8.230 nan 0.000 0.474 1014 Y N 2.843 123.133 120.300 -0.017 0.000 2.638 1014 Y HA 0.813 5.363 4.550 -0.000 0.000 0.335 1014 Y C -0.365 174.936 175.900 -0.999 0.000 1.155 1014 Y CA -0.310 57.404 58.100 -0.642 0.000 1.046 1014 Y CB 1.646 39.895 38.460 -0.351 0.000 1.303 1014 Y HN 0.737 nan 8.280 nan 0.000 0.460 1015 G N 1.434 109.455 108.800 -1.298 0.000 2.327 1015 G HA2 0.486 4.446 3.960 -0.000 0.000 0.291 1015 G HA3 0.486 4.446 3.960 -0.000 0.000 0.291 1015 G C -2.276 172.409 174.900 -0.358 0.000 1.290 1015 G CA -0.773 43.937 45.100 -0.649 0.000 0.857 1015 G HN 1.079 nan 8.290 nan 0.000 0.520 1016 K N -1.853 118.540 120.400 -0.012 0.000 2.556 1016 K HA 0.786 5.106 4.320 -0.000 0.000 0.274 1016 K C -1.488 175.165 176.600 0.089 0.000 0.966 1016 K CA -1.020 55.333 56.287 0.110 0.000 0.865 1016 K CB 2.252 34.746 32.500 -0.010 0.000 1.444 1016 K HN 0.687 nan 8.250 nan 0.000 0.433 1017 V N 0.938 120.941 119.914 0.148 0.000 2.604 1017 V HA 0.470 4.590 4.120 -0.000 0.000 0.305 1017 V C -1.309 174.776 176.094 -0.015 0.000 1.043 1017 V CA -0.462 61.842 62.300 0.006 0.000 0.888 1017 V CB 1.737 33.593 31.823 0.056 0.000 0.995 1017 V HN 0.907 nan 8.190 nan 0.000 0.429 1018 D N 3.207 123.515 120.400 -0.154 0.000 2.542 1018 D HA 0.439 5.079 4.640 -0.000 0.000 0.252 1018 D C 0.005 176.324 176.300 0.032 0.000 1.222 1018 D CA -0.186 53.777 54.000 -0.061 0.000 0.895 1018 D CB 2.031 42.681 40.800 -0.249 0.000 1.207 1018 D HN 0.711 nan 8.370 nan 0.000 0.558 1019 G N 3.835 112.678 108.800 0.071 0.000 2.404 1019 G HA2 0.520 4.480 3.960 -0.000 0.000 0.316 1019 G HA3 0.520 4.480 3.960 -0.000 0.000 0.316 1019 G C -0.689 174.260 174.900 0.082 0.000 1.074 1019 G CA -0.463 44.676 45.100 0.064 0.000 0.989 1019 G HN 0.474 nan 8.290 nan 0.000 0.430 1020 L N 2.906 124.199 121.223 0.117 0.000 2.470 1020 L HA 0.533 4.873 4.340 -0.000 0.000 0.268 1020 L C -1.613 175.336 176.870 0.131 0.000 0.964 1020 L CA -0.890 54.044 54.840 0.156 0.000 0.839 1020 L CB 2.543 44.751 42.059 0.249 0.000 1.276 1020 L HN 0.676 nan 8.230 nan 0.000 0.403 1021 H N 3.015 122.126 119.070 0.068 0.000 2.572 1021 H HA 0.522 5.078 4.556 -0.000 0.000 0.359 1021 H C -1.601 173.839 175.328 0.188 0.000 1.134 1021 H CA -0.277 55.759 56.048 -0.020 0.000 1.187 1021 H CB 1.748 31.409 29.762 -0.169 0.000 1.597 1021 H HN 0.388 nan 8.280 nan 0.000 0.524 1022 Y N 4.227 124.243 120.300 -0.473 0.000 2.328 1022 Y HA 0.275 4.825 4.550 -0.000 0.000 0.337 1022 Y C -1.025 174.699 175.900 -0.294 0.000 0.966 1022 Y CA -1.100 56.881 58.100 -0.198 0.000 1.136 1022 Y CB 0.420 38.794 38.460 -0.143 0.000 1.170 1022 Y HN 0.486 nan 8.280 nan 0.000 0.470 1023 F N 1.688 121.802 119.950 0.274 0.000 2.436 1023 F HA 0.626 5.153 4.527 -0.000 0.000 0.340 1023 F C 0.380 176.252 175.800 0.120 0.000 1.113 1023 F CA -0.609 57.513 58.000 0.204 0.000 1.022 1023 F CB 1.973 41.070 39.000 0.160 0.000 1.128 1023 F HN 0.289 nan 8.300 nan 0.000 0.466 1024 S N 1.312 117.157 115.700 0.242 0.000 2.542 1024 S HA 0.184 4.654 4.470 -0.000 0.000 0.276 1024 S C -0.013 174.653 174.600 0.110 0.000 1.148 1024 S CA -0.734 57.552 58.200 0.142 0.000 0.886 1024 S CB 1.199 64.462 63.200 0.105 0.000 1.109 1024 S HN 0.652 nan 8.310 nan 0.000 0.458 1025 D N 1.813 122.260 120.400 0.079 0.000 2.311 1025 D HA -0.067 4.573 4.640 -0.000 0.000 0.212 1025 D C 0.493 176.820 176.300 0.045 0.000 0.972 1025 D CA 0.935 54.971 54.000 0.060 0.000 0.887 1025 D CB -0.045 40.781 40.800 0.044 0.000 0.915 1025 D HN 0.473 nan 8.370 nan 0.000 0.497 1026 N N 1.422 120.146 118.700 0.039 0.000 2.602 1026 N HA -0.027 4.713 4.740 -0.000 0.000 0.238 1026 N C -0.108 175.420 175.510 0.030 0.000 1.084 1026 N CA -0.069 52.996 53.050 0.024 0.000 0.952 1026 N CB 0.202 38.694 38.487 0.009 0.000 1.244 1026 N HN -0.109 nan 8.380 nan 0.000 0.512 1027 K N 2.018 122.432 120.400 0.024 0.000 3.077 1027 K HA -0.033 4.287 4.320 -0.000 0.000 0.269 1027 K C -0.399 176.203 176.600 0.005 0.000 0.973 1027 K CA 0.271 56.570 56.287 0.020 0.000 1.162 1027 K CB 0.289 32.803 32.500 0.022 0.000 1.079 1027 K HN 0.499 nan 8.250 nan 0.000 0.456 1028 D N -1.424 118.979 120.400 0.005 0.000 2.292 1028 D HA -0.070 4.570 4.640 -0.000 0.000 0.322 1028 D C 1.078 177.374 176.300 -0.007 0.000 1.087 1028 D CA 0.104 54.098 54.000 -0.009 0.000 0.857 1028 D CB 0.847 41.642 40.800 -0.010 0.000 1.445 1028 D HN 0.044 nan 8.370 nan 0.000 0.528 1029 V N -1.783 118.148 119.914 0.029 0.000 3.621 1029 V HA 0.322 4.442 4.120 -0.000 0.000 0.263 1029 V C 0.626 176.775 176.094 0.091 0.000 1.272 1029 V CA -0.179 62.173 62.300 0.087 0.000 1.080 1029 V CB 0.009 31.947 31.823 0.192 0.000 0.816 1029 V HN -0.093 nan 8.190 nan 0.000 0.451 1030 D N 0.843 121.273 120.400 0.050 0.000 2.390 1030 D HA 0.431 5.071 4.640 -0.000 0.000 0.236 1030 D C 0.954 177.174 176.300 -0.133 0.000 1.189 1030 D CA 2.430 56.440 54.000 0.016 0.000 0.887 1030 D CB 0.769 41.589 40.800 0.033 0.000 1.198 1030 D HN 0.773 nan 8.370 nan 0.000 0.444 1031 G N 2.375 111.007 108.800 -0.280 0.000 2.503 1031 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.235 1031 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.235 1031 G C -0.625 173.563 174.900 -1.186 0.000 1.179 1031 G CA 0.010 44.757 45.100 -0.588 0.000 0.944 1031 G HN 0.802 nan 8.290 nan 0.000 0.580 1032 D N 0.824 120.849 120.400 -0.625 0.000 2.295 1032 D HA 0.582 5.222 4.640 -0.000 0.000 0.248 1032 D C 0.954 177.051 176.300 -0.339 0.000 1.154 1032 D CA -0.103 53.640 54.000 -0.429 0.000 0.857 1032 D CB 0.869 41.594 40.800 -0.125 0.000 1.117 1032 D HN 0.290 nan 8.370 nan 0.000 0.468 1033 Q N 2.312 121.917 119.800 -0.325 0.000 2.155 1033 Q HA 0.133 4.473 4.340 -0.000 0.000 0.220 1033 Q C -0.081 175.890 176.000 -0.048 0.000 0.819 1033 Q CA -0.179 55.450 55.803 -0.291 0.000 1.032 1033 Q CB 0.242 28.652 28.738 -0.548 0.000 1.151 1033 Q HN 0.494 nan 8.270 nan 0.000 0.487 1034 T N 2.866 117.429 114.554 0.015 0.000 2.860 1034 T HA -0.019 4.331 4.350 -0.000 0.000 0.295 1034 T C -0.167 174.659 174.700 0.211 0.000 1.041 1034 T CA 1.102 63.263 62.100 0.101 0.000 1.132 1034 T CB -0.154 68.740 68.868 0.043 0.000 1.072 1034 T HN 0.309 nan 8.240 nan 0.000 0.504 1035 Y N 0.062 120.336 120.300 -0.042 0.000 2.788 1035 Y HA 0.764 5.314 4.550 -0.000 0.000 0.335 1035 Y C -1.111 174.755 175.900 -0.057 0.000 1.287 1035 Y CA -1.838 56.215 58.100 -0.079 0.000 1.068 1035 Y CB 1.263 39.662 38.460 -0.102 0.000 1.340 1035 Y HN 0.591 nan 8.280 nan 0.000 0.449 1036 M N 1.956 121.404 119.600 -0.252 0.000 2.618 1036 M HA 0.707 5.187 4.480 -0.000 0.000 0.281 1036 M C -2.213 173.932 176.300 -0.260 0.000 1.267 1036 M CA -0.531 54.576 55.300 -0.322 0.000 0.845 1036 M CB 3.069 35.587 32.600 -0.135 0.000 1.732 1036 M HN 1.039 nan 8.290 nan 0.000 0.461 1037 R N 2.473 122.837 120.500 -0.225 0.000 2.698 1037 R HA 0.798 5.138 4.340 -0.000 0.000 0.275 1037 R C -0.965 175.206 176.300 -0.214 0.000 1.001 1037 R CA -0.971 54.987 56.100 -0.237 0.000 0.896 1037 R CB 2.281 32.438 30.300 -0.239 0.000 1.218 1037 R HN 0.831 nan 8.270 nan 0.000 0.462 1038 L N -1.778 119.297 121.223 -0.247 0.000 2.271 1038 L HA 1.032 5.372 4.340 -0.000 0.000 0.265 1038 L C -0.260 176.179 176.870 -0.717 0.000 1.013 1038 L CA -0.715 53.918 54.840 -0.345 0.000 0.820 1038 L CB 2.437 44.496 42.059 0.000 0.000 1.352 1038 L HN 0.762 nan 8.230 nan 0.000 0.443 1039 G N 0.017 108.249 108.800 -0.947 0.000 2.466 1039 G HA2 0.541 4.501 3.960 -0.000 0.000 0.291 1039 G HA3 0.541 4.501 3.960 -0.000 0.000 0.291 1039 G C -1.972 172.560 174.900 -0.613 0.000 1.460 1039 G CA -0.371 44.077 45.100 -1.086 0.000 0.791 1039 G HN 1.012 nan 8.290 nan 0.000 0.505 1040 F N -0.752 119.188 119.950 -0.017 0.000 2.588 1040 F HA 0.902 5.429 4.527 -0.000 0.000 0.310 1040 F C -0.741 175.235 175.800 0.292 0.000 1.082 1040 F CA -1.711 56.415 58.000 0.210 0.000 0.929 1040 F CB 1.855 40.964 39.000 0.182 0.000 1.254 1040 F HN 0.479 nan 8.300 nan 0.000 0.455 1041 K N 1.299 122.046 120.400 0.578 0.000 2.328 1041 K HA 0.849 5.169 4.320 -0.000 0.000 0.246 1041 K C -0.826 176.006 176.600 0.387 0.000 0.955 1041 K CA -1.293 55.219 56.287 0.375 0.000 0.817 1041 K CB 2.453 35.075 32.500 0.203 0.000 1.208 1041 K HN 1.102 nan 8.250 nan 0.000 0.432 1042 G N 1.279 110.270 108.800 0.319 0.000 2.753 1042 G HA2 0.444 4.404 3.960 -0.000 0.000 0.297 1042 G HA3 0.444 4.404 3.960 -0.000 0.000 0.297 1042 G C -1.583 173.440 174.900 0.205 0.000 1.430 1042 G CA -0.564 44.670 45.100 0.224 0.000 1.040 1042 G HN 0.528 nan 8.290 nan 0.000 0.530 1043 E N 0.540 120.831 120.200 0.153 0.000 2.292 1043 E HA 0.534 4.884 4.350 -0.000 0.000 0.272 1043 E C -1.236 175.430 176.600 0.111 0.000 0.881 1043 E CA -0.919 55.569 56.400 0.148 0.000 0.754 1043 E CB 2.743 32.514 29.700 0.117 0.000 1.201 1043 E HN 0.360 nan 8.360 nan 0.000 0.425 1044 T N 1.526 116.141 114.554 0.102 0.000 2.856 1044 T HA 0.329 4.679 4.350 -0.000 0.000 0.283 1044 T C -1.257 173.487 174.700 0.073 0.000 1.008 1044 T CA -0.671 61.477 62.100 0.080 0.000 0.997 1044 T CB 1.190 70.097 68.868 0.066 0.000 0.992 1044 T HN 0.536 nan 8.240 nan 0.000 0.454 1045 Q N 3.354 123.190 119.800 0.061 0.000 2.333 1045 Q HA 0.587 4.927 4.340 -0.000 0.000 0.265 1045 Q C -0.518 175.511 176.000 0.048 0.000 0.989 1045 Q CA -0.717 55.117 55.803 0.053 0.000 0.842 1045 Q CB 1.620 30.384 28.738 0.044 0.000 1.262 1045 Q HN 0.363 nan 8.270 nan 0.000 0.451 1046 V N 1.698 121.641 119.914 0.048 0.000 3.644 1046 V HA 0.239 4.359 4.120 -0.000 0.000 0.267 1046 V C 0.585 176.708 176.094 0.049 0.000 1.277 1046 V CA 0.946 63.275 62.300 0.047 0.000 1.096 1046 V CB 0.217 32.068 31.823 0.047 0.000 0.828 1046 V HN 0.989 nan 8.190 nan 0.000 0.446 1047 T N -1.669 112.915 114.554 0.050 0.000 2.680 1047 T HA 0.135 4.485 4.350 -0.000 0.000 0.283 1047 T C -0.909 173.822 174.700 0.051 0.000 1.774 1047 T CA 0.154 62.285 62.100 0.052 0.000 0.969 1047 T CB 0.912 69.819 68.868 0.066 0.000 2.053 1047 T HN 0.116 nan 8.240 nan 0.000 0.426 1048 D N -0.141 120.292 120.400 0.054 0.000 2.473 1048 D HA 0.115 4.755 4.640 -0.000 0.000 0.230 1048 D C 1.524 177.859 176.300 0.059 0.000 1.097 1048 D CA 0.275 54.304 54.000 0.049 0.000 0.861 1048 D CB 0.437 41.263 40.800 0.042 0.000 1.114 1048 D HN 0.521 nan 8.370 nan 0.000 0.500 1049 Q N 0.351 120.196 119.800 0.076 0.000 2.033 1049 Q HA -0.002 4.338 4.340 -0.000 0.000 0.196 1049 Q C 0.580 176.647 176.000 0.111 0.000 0.970 1049 Q CA 0.747 56.612 55.803 0.103 0.000 0.828 1049 Q CB 0.456 29.270 28.738 0.126 0.000 0.895 1049 Q HN 0.096 nan 8.270 nan 0.000 0.440 1050 L N 1.644 122.929 121.223 0.102 0.000 2.307 1050 L HA 0.491 4.831 4.340 -0.000 0.000 0.284 1050 L C -1.263 175.634 176.870 0.044 0.000 1.023 1050 L CA -0.208 54.680 54.840 0.081 0.000 0.810 1050 L CB 1.928 44.054 42.059 0.112 0.000 1.231 1050 L HN 0.288 nan 8.230 nan 0.000 0.423 1051 T N 3.055 117.622 114.554 0.021 0.000 2.952 1051 T HA 0.615 4.965 4.350 -0.000 0.000 0.305 1051 T C -0.240 174.508 174.700 0.081 0.000 1.064 1051 T CA -0.279 61.853 62.100 0.053 0.000 1.008 1051 T CB 1.424 70.327 68.868 0.059 0.000 1.078 1051 T HN 0.798 nan 8.240 nan 0.000 0.459 1052 G N 3.073 111.924 108.800 0.086 0.000 2.420 1052 G HA2 0.623 4.583 3.960 -0.000 0.000 0.284 1052 G HA3 0.623 4.583 3.960 -0.000 0.000 0.284 1052 G C -1.222 173.807 174.900 0.216 0.000 1.177 1052 G CA -0.552 44.595 45.100 0.077 0.000 0.841 1052 G HN 0.906 nan 8.290 nan 0.000 0.527 1053 Y N -1.064 119.270 120.300 0.057 0.000 2.597 1053 Y HA 0.779 5.329 4.550 -0.000 0.000 0.340 1053 Y C -0.101 175.879 175.900 0.133 0.000 1.097 1053 Y CA -1.506 56.651 58.100 0.094 0.000 1.037 1053 Y CB 1.323 39.839 38.460 0.094 0.000 1.305 1053 Y HN 0.826 nan 8.280 nan 0.000 0.463 1054 G N 1.281 110.270 108.800 0.315 0.000 2.638 1054 G HA2 0.557 4.517 3.960 -0.000 0.000 0.302 1054 G HA3 0.557 4.517 3.960 -0.000 0.000 0.302 1054 G C -2.313 172.688 174.900 0.168 0.000 1.365 1054 G CA -0.919 44.327 45.100 0.244 0.000 0.987 1054 G HN 0.842 nan 8.290 nan 0.000 0.495 1055 Q N 0.157 119.806 119.800 -0.251 0.000 2.377 1055 Q HA 0.575 4.915 4.340 -0.000 0.000 0.279 1055 Q C -2.338 173.306 176.000 -0.592 0.000 1.049 1055 Q CA -0.986 54.571 55.803 -0.411 0.000 0.825 1055 Q CB 2.971 31.487 28.738 -0.370 0.000 1.401 1055 Q HN 0.634 nan 8.270 nan 0.000 0.404 1056 W N 3.365 124.205 121.300 -0.767 0.000 3.615 1056 W HA 0.475 5.135 4.660 -0.000 0.000 0.319 1056 W C -2.067 174.167 176.519 -0.475 0.000 1.172 1056 W CA -0.155 56.770 57.345 -0.700 0.000 1.240 1056 W CB 1.246 30.058 29.460 -1.080 0.000 1.313 1056 W HN 0.701 nan 8.180 nan 0.000 0.487 1057 E N 4.477 124.067 120.200 -1.016 0.000 2.340 1057 E HA 0.531 4.881 4.350 -0.000 0.000 0.273 1057 E C -2.341 173.707 176.600 -0.920 0.000 0.891 1057 E CA -0.945 54.934 56.400 -0.868 0.000 0.757 1057 E CB 2.553 32.075 29.700 -0.297 0.000 1.231 1057 E HN 0.408 nan 8.360 nan 0.000 0.439 1058 Y N 2.180 121.869 120.300 -1.019 0.000 2.376 1058 Y HA 0.205 4.755 4.550 -0.000 0.000 0.321 1058 Y C -1.599 173.936 175.900 -0.608 0.000 1.189 1058 Y CA -0.497 57.091 58.100 -0.852 0.000 1.069 1058 Y CB 1.549 39.332 38.460 -1.129 0.000 1.292 1058 Y HN 0.560 nan 8.280 nan 0.000 0.430 1059 Q N 5.602 124.732 119.800 -1.116 0.000 2.248 1059 Q HA 0.793 5.133 4.340 -0.000 0.000 0.263 1059 Q C -1.495 173.772 176.000 -1.222 0.000 1.007 1059 Q CA -0.922 54.300 55.803 -0.967 0.000 0.877 1059 Q CB 1.633 29.832 28.738 -0.899 0.000 1.315 1059 Q HN 0.730 nan 8.270 nan 0.000 0.454 1060 I N 2.881 123.023 120.570 -0.713 0.000 2.571 1060 I HA 0.178 4.348 4.170 -0.000 0.000 0.286 1060 I C -0.638 175.303 176.117 -0.294 0.000 1.134 1060 I CA -0.942 60.040 61.300 -0.531 0.000 1.052 1060 I CB 1.756 39.592 38.000 -0.273 0.000 1.237 1060 I HN 0.523 nan 8.210 nan 0.000 0.435 1061 Q N 3.291 122.944 119.800 -0.245 0.000 2.421 1061 Q HA 0.284 4.624 4.340 -0.000 0.000 0.255 1061 Q C 0.899 176.878 176.000 -0.036 0.000 1.013 1061 Q CA 0.276 56.032 55.803 -0.079 0.000 0.895 1061 Q CB 1.373 30.099 28.738 -0.020 0.000 1.271 1061 Q HN 0.962 nan 8.270 nan 0.000 0.460 1062 G N 1.209 110.014 108.800 0.009 0.000 3.979 1062 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.287 1062 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.287 1062 G C 0.220 175.121 174.900 0.001 0.000 1.011 1062 G CA -0.300 44.799 45.100 -0.002 0.000 0.818 1062 G HN 0.596 nan 8.290 nan 0.000 0.470 1063 N N 0.684 119.380 118.700 -0.006 0.000 2.321 1063 N HA 0.123 4.863 4.740 -0.000 0.000 0.242 1063 N C 0.269 175.764 175.510 -0.025 0.000 1.141 1063 N CA 0.132 53.169 53.050 -0.023 0.000 0.864 1063 N CB 0.334 38.788 38.487 -0.053 0.000 1.100 1063 N HN 0.224 nan 8.380 nan 0.000 0.510 1064 S N -1.320 114.370 115.700 -0.016 0.000 2.732 1064 S HA 0.841 5.311 4.470 -0.000 0.000 0.293 1064 S C -0.558 174.038 174.600 -0.007 0.000 1.159 1064 S CA -0.820 57.373 58.200 -0.013 0.000 0.847 1064 S CB 1.320 64.512 63.200 -0.012 0.000 1.169 1064 S HN 0.302 nan 8.310 nan 0.000 0.501 1065 A N 0.316 123.133 122.820 -0.006 0.000 2.371 1065 A HA 0.429 4.749 4.320 -0.000 0.000 0.257 1065 A C 0.823 178.406 177.584 -0.001 0.000 1.089 1065 A CA -0.434 51.601 52.037 -0.003 0.000 0.794 1065 A CB -0.522 18.477 19.000 -0.002 0.000 1.029 1065 A HN 0.950 nan 8.150 nan 0.000 0.488 1066 E N 1.054 121.254 120.200 -0.000 0.000 2.444 1066 E HA -0.231 4.119 4.350 -0.000 0.000 0.205 1066 E C 0.814 177.416 176.600 0.004 0.000 1.054 1066 E CA 0.993 57.394 56.400 0.002 0.000 0.873 1066 E CB -0.114 29.587 29.700 0.001 0.000 0.793 1066 E HN 0.667 nan 8.360 nan 0.000 0.549 1067 N N 0.635 119.337 118.700 0.003 0.000 2.519 1067 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 1067 N C 0.993 176.508 175.510 0.007 0.000 1.062 1067 N CA 0.912 53.965 53.050 0.004 0.000 0.910 1067 N CB 0.252 38.741 38.487 0.002 0.000 0.958 1067 N HN 0.320 nan 8.380 nan 0.000 0.445 1068 E N -1.423 118.783 120.200 0.009 0.000 2.671 1068 E HA -0.013 4.337 4.350 -0.000 0.000 0.204 1068 E C 0.203 176.813 176.600 0.017 0.000 0.940 1068 E CA 0.143 56.549 56.400 0.011 0.000 1.328 1068 E CB -0.026 29.677 29.700 0.006 0.000 1.214 1068 E HN 0.193 nan 8.360 nan 0.000 0.624 1069 N N 1.502 120.213 118.700 0.019 0.000 1.997 1069 N HA -0.351 4.389 4.740 -0.000 0.000 0.208 1069 N C 0.889 176.421 175.510 0.037 0.000 1.299 1069 N CA 2.360 55.429 53.050 0.031 0.000 3.527 1069 N CB -2.508 36.001 38.487 0.036 0.000 0.748 1069 N HN 0.439 nan 8.380 nan 0.000 0.365 1070 N N 1.875 120.596 118.700 0.035 0.000 2.019 1070 N HA -0.262 4.478 4.740 -0.000 0.000 0.198 1070 N C 0.428 175.987 175.510 0.083 0.000 1.065 1070 N CA 3.648 56.736 53.050 0.064 0.000 0.881 1070 N CB -0.900 37.631 38.487 0.072 0.000 1.079 1070 N HN 1.380 nan 8.380 nan 0.000 0.460 1071 S N -0.685 114.999 115.700 -0.027 0.000 4.311 1071 S HA -0.170 4.300 4.470 -0.000 0.000 0.626 1071 S C -0.340 174.152 174.600 -0.181 0.000 0.957 1071 S CA 0.757 58.748 58.200 -0.349 0.000 1.234 1071 S CB -2.096 60.908 63.200 -0.325 0.000 2.068 1071 S HN 0.651 nan 8.310 nan 0.000 0.393 1072 W N 2.003 123.107 121.300 -0.327 0.000 2.850 1072 W HA 0.803 5.463 4.660 -0.000 0.000 0.349 1072 W C -0.296 176.178 176.519 -0.075 0.000 1.133 1072 W CA -0.833 56.444 57.345 -0.113 0.000 1.117 1072 W CB 0.201 29.600 29.460 -0.102 0.000 1.442 1072 W HN 0.480 nan 8.180 nan 0.000 0.575 1073 T N 2.188 117.065 114.554 0.537 0.000 2.794 1073 T HA 0.188 4.538 4.350 -0.000 0.000 0.296 1073 T C 0.900 175.760 174.700 0.267 0.000 0.949 1073 T CA -0.262 62.125 62.100 0.479 0.000 1.101 1073 T CB 1.027 70.116 68.868 0.369 0.000 0.905 1073 T HN 0.501 nan 8.240 nan 0.000 0.516 1074 R N 2.173 122.716 120.500 0.072 0.000 2.075 1074 R HA 0.363 4.703 4.340 -0.000 0.000 0.220 1074 R C 0.169 176.460 176.300 -0.015 0.000 1.118 1074 R CA 0.376 56.494 56.100 0.029 0.000 0.986 1074 R CB 0.429 30.697 30.300 -0.053 0.000 0.884 1074 R HN 0.411 nan 8.270 nan 0.000 0.439 1075 V N -0.932 118.949 119.914 -0.054 0.000 3.077 1075 V HA 0.664 4.784 4.120 -0.000 0.000 0.299 1075 V C -1.974 174.101 176.094 -0.032 0.000 1.276 1075 V CA -0.632 61.690 62.300 0.037 0.000 0.993 1075 V CB 2.170 34.065 31.823 0.121 0.000 1.076 1075 V HN 0.151 nan 8.190 nan 0.000 0.434 1076 A N 5.393 128.252 122.820 0.064 0.000 2.579 1076 A HA 0.827 5.147 4.320 -0.000 0.000 0.288 1076 A C -1.290 176.335 177.584 0.068 0.000 1.079 1076 A CA -0.337 51.709 52.037 0.015 0.000 0.889 1076 A CB 0.562 19.676 19.000 0.190 0.000 1.439 1076 A HN 1.688 nan 8.150 nan 0.000 0.399 1077 F N -0.384 119.589 119.950 0.038 0.000 2.711 1077 F HA 0.950 5.477 4.527 -0.000 0.000 0.313 1077 F C -0.305 175.490 175.800 -0.009 0.000 1.141 1077 F CA -0.931 57.061 58.000 -0.013 0.000 0.941 1077 F CB 1.178 40.157 39.000 -0.035 0.000 1.349 1077 F HN 0.965 nan 8.300 nan 0.000 0.464 1078 A N 0.334 123.282 122.820 0.214 0.000 2.414 1078 A HA 0.979 5.299 4.320 -0.000 0.000 0.306 1078 A C -0.546 176.922 177.584 -0.194 0.000 1.054 1078 A CA -0.213 51.824 52.037 -0.000 0.000 0.724 1078 A CB 1.326 20.331 19.000 0.009 0.000 1.267 1078 A HN 1.830 nan 8.150 nan 0.000 0.418 1079 G N -0.549 107.785 108.800 -0.777 0.000 2.911 1079 G HA2 0.637 4.597 3.960 -0.000 0.000 0.299 1079 G HA3 0.637 4.597 3.960 -0.000 0.000 0.299 1079 G C -2.207 172.189 174.900 -0.840 0.000 1.283 1079 G CA -0.527 44.054 45.100 -0.866 0.000 0.805 1079 G HN 0.857 nan 8.290 nan 0.000 0.548 1080 L N 0.052 121.055 121.223 -0.367 0.000 2.505 1080 L HA 0.567 4.907 4.340 -0.000 0.000 0.266 1080 L C -0.582 176.187 176.870 -0.170 0.000 0.954 1080 L CA -0.695 53.975 54.840 -0.284 0.000 0.852 1080 L CB 2.207 43.968 42.059 -0.496 0.000 1.282 1080 L HN 0.583 nan 8.230 nan 0.000 0.403 1081 K N 2.356 122.719 120.400 -0.062 0.000 2.265 1081 K HA 0.460 4.780 4.320 -0.000 0.000 0.267 1081 K C 0.084 176.619 176.600 -0.108 0.000 0.994 1081 K CA -0.276 56.008 56.287 -0.005 0.000 0.860 1081 K CB 0.922 33.436 32.500 0.023 0.000 1.099 1081 K HN 0.368 nan 8.250 nan 0.000 0.448 1082 F N 2.417 122.441 119.950 0.123 0.000 2.317 1082 F HA -0.073 4.454 4.527 -0.000 0.000 0.293 1082 F C 1.597 177.449 175.800 0.086 0.000 1.085 1082 F CA 1.058 59.127 58.000 0.115 0.000 1.390 1082 F CB 0.249 39.333 39.000 0.140 0.000 1.077 1082 F HN 0.804 nan 8.300 nan 0.000 0.517 1083 Q N -1.933 117.999 119.800 0.220 0.000 7.945 1083 Q HA -0.172 4.168 4.340 -0.000 0.000 0.369 1083 Q C 0.534 176.608 176.000 0.124 0.000 0.952 1083 Q CA 1.036 56.921 55.803 0.138 0.000 0.539 1083 Q CB -1.239 27.577 28.738 0.131 0.000 0.156 1083 Q HN 0.103 nan 8.270 nan 0.000 0.898 1084 D N 0.713 121.206 120.400 0.154 0.000 2.394 1084 D HA 0.116 4.756 4.640 -0.000 0.000 0.237 1084 D C 1.905 178.354 176.300 0.247 0.000 1.028 1084 D CA 1.704 55.806 54.000 0.170 0.000 0.937 1084 D CB 0.109 41.008 40.800 0.164 0.000 1.072 1084 D HN 0.188 nan 8.370 nan 0.000 0.457 1085 V N 0.923 121.017 119.914 0.299 0.000 2.311 1085 V HA -0.211 3.909 4.120 -0.000 0.000 0.249 1085 V C 1.557 177.871 176.094 0.367 0.000 1.042 1085 V CA 2.059 64.593 62.300 0.390 0.000 1.105 1085 V CB -1.535 30.455 31.823 0.278 0.000 0.783 1085 V HN 0.588 nan 8.190 nan 0.000 0.486 1086 G N -1.498 107.447 108.800 0.242 0.000 2.350 1086 G HA2 0.443 4.403 3.960 -0.000 0.000 0.282 1086 G HA3 0.443 4.403 3.960 -0.000 0.000 0.282 1086 G C -0.656 174.279 174.900 0.059 0.000 1.314 1086 G CA 0.081 45.135 45.100 -0.076 0.000 0.915 1086 G HN 1.431 nan 8.290 nan 0.000 0.499 1087 S N -1.199 114.419 115.700 -0.138 0.000 2.638 1087 S HA 0.864 5.334 4.470 -0.000 0.000 0.298 1087 S C -0.904 173.840 174.600 0.241 0.000 1.111 1087 S CA -0.534 57.712 58.200 0.077 0.000 1.027 1087 S CB 2.107 65.325 63.200 0.029 0.000 1.064 1087 S HN 1.819 nan 8.310 nan 0.000 0.525 1088 F N 1.122 121.194 119.950 0.203 0.000 2.565 1088 F HA 0.671 5.198 4.527 -0.000 0.000 0.313 1088 F C -2.027 173.853 175.800 0.132 0.000 1.091 1088 F CA -0.679 57.462 58.000 0.234 0.000 0.915 1088 F CB 1.856 41.067 39.000 0.352 0.000 1.208 1088 F HN 0.863 nan 8.300 nan 0.000 0.453 1089 D N 3.712 123.498 120.400 -1.023 0.000 2.861 1089 D HA 0.218 4.858 4.640 -0.000 0.000 0.216 1089 D C -1.866 173.931 176.300 -0.838 0.000 1.323 1089 D CA -0.446 53.027 54.000 -0.878 0.000 0.917 1089 D CB 0.875 41.423 40.800 -0.420 0.000 1.582 1089 D HN 0.439 nan 8.370 nan 0.000 0.576 1090 Y N 2.118 121.969 120.300 -0.748 0.000 2.307 1090 Y HA 0.689 5.239 4.550 -0.000 0.000 0.324 1090 Y C 0.845 176.744 175.900 -0.002 0.000 1.238 1090 Y CA 1.041 59.010 58.100 -0.218 0.000 1.280 1090 Y CB 1.210 39.667 38.460 -0.005 0.000 1.248 1090 Y HN 0.916 nan 8.280 nan 0.000 0.508 1091 G N 3.788 111.994 108.800 -0.990 0.000 2.325 1091 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.285 1091 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.285 1091 G C -1.569 173.197 174.900 -0.223 0.000 1.303 1091 G CA -1.093 43.691 45.100 -0.526 0.000 0.970 1091 G HN 0.771 nan 8.290 nan 0.000 0.490 1092 R N 1.120 121.616 120.500 -0.006 0.000 2.220 1092 R HA 0.425 4.765 4.340 -0.000 0.000 0.340 1092 R C -0.505 175.946 176.300 0.252 0.000 1.076 1092 R CA -0.318 55.813 56.100 0.050 0.000 0.920 1092 R CB -0.193 30.125 30.300 0.030 0.000 1.062 1092 R HN 0.503 nan 8.270 nan 0.000 0.469 1093 N N 2.325 121.215 118.700 0.316 0.000 3.167 1093 N HA 0.254 4.994 4.740 -0.000 0.000 0.323 1093 N C -1.478 174.220 175.510 0.313 0.000 1.478 1093 N CA -0.632 52.636 53.050 0.362 0.000 0.753 1093 N CB 0.869 39.450 38.487 0.155 0.000 1.721 1093 N HN 0.320 nan 8.380 nan 0.000 0.618 1094 Y N 0.009 120.340 120.300 0.052 0.000 2.304 1094 Y HA 0.395 4.945 4.550 -0.000 0.000 0.328 1094 Y C 1.402 177.127 175.900 -0.291 0.000 1.123 1094 Y CA -0.384 57.670 58.100 -0.076 0.000 1.218 1094 Y CB 0.906 39.281 38.460 -0.141 0.000 1.207 1094 Y HN 0.423 nan 8.280 nan 0.000 0.495 1095 G N 0.904 109.615 108.800 -0.147 0.000 2.572 1095 G HA2 0.309 4.269 3.960 -0.000 0.000 0.261 1095 G HA3 0.309 4.269 3.960 -0.000 0.000 0.261 1095 G C 0.861 175.600 174.900 -0.269 0.000 1.197 1095 G CA -0.394 44.383 45.100 -0.538 0.000 0.870 1095 G HN 0.681 nan 8.290 nan 0.000 0.548 1096 V N -0.123 119.611 119.914 -0.300 0.000 2.515 1096 V HA -0.120 4.000 4.120 -0.000 0.000 0.250 1096 V C 2.759 178.773 176.094 -0.132 0.000 1.058 1096 V CA 1.159 63.354 62.300 -0.175 0.000 1.064 1096 V CB -1.026 30.717 31.823 -0.132 0.000 0.675 1096 V HN 0.390 nan 8.190 nan 0.000 0.461 1097 V N -0.083 119.762 119.914 -0.114 0.000 2.764 1097 V HA -0.311 3.809 4.120 -0.000 0.000 0.261 1097 V C 2.285 178.280 176.094 -0.165 0.000 1.108 1097 V CA 2.658 64.879 62.300 -0.131 0.000 1.129 1097 V CB -0.944 30.810 31.823 -0.116 0.000 0.701 1097 V HN 0.779 nan 8.190 nan 0.000 0.495 1098 Y N 0.862 121.021 120.300 -0.235 0.000 2.475 1098 Y HA -0.090 4.460 4.550 -0.000 0.000 0.289 1098 Y C 2.035 177.772 175.900 -0.271 0.000 1.121 1098 Y CA 1.109 59.072 58.100 -0.229 0.000 1.257 1098 Y CB -0.041 38.376 38.460 -0.072 0.000 1.026 1098 Y HN 0.407 nan 8.280 nan 0.000 0.555 1099 D N -0.344 119.874 120.400 -0.304 0.000 2.170 1099 D HA -0.222 4.418 4.640 -0.000 0.000 0.193 1099 D C 2.039 177.823 176.300 -0.860 0.000 1.004 1099 D CA 2.049 55.742 54.000 -0.511 0.000 0.860 1099 D CB -0.343 40.220 40.800 -0.394 0.000 0.931 1099 D HN 0.325 nan 8.370 nan 0.000 0.448 1100 V N -0.135 119.359 119.914 -0.700 0.000 3.085 1100 V HA -0.045 4.075 4.120 -0.000 0.000 0.245 1100 V C 2.359 178.126 176.094 -0.546 0.000 1.114 1100 V CA 1.427 63.217 62.300 -0.850 0.000 1.108 1100 V CB -0.169 31.342 31.823 -0.520 0.000 0.798 1100 V HN 0.326 nan 8.190 nan 0.000 0.471 1101 T N -1.008 113.271 114.554 -0.458 0.000 3.085 1101 T HA -0.094 4.256 4.350 -0.000 0.000 0.263 1101 T C 1.913 176.442 174.700 -0.286 0.000 1.127 1101 T CA 1.224 63.148 62.100 -0.295 0.000 1.103 1101 T CB -0.285 68.392 68.868 -0.320 0.000 0.921 1101 T HN 0.552 nan 8.240 nan 0.000 0.510 1102 S N 0.037 115.348 115.700 -0.648 0.000 2.428 1102 S HA -0.068 4.402 4.470 -0.000 0.000 0.230 1102 S C 1.731 176.293 174.600 -0.065 0.000 1.014 1102 S CA 0.096 57.898 58.200 -0.663 0.000 0.957 1102 S CB -1.389 61.016 63.200 -1.325 0.000 0.784 1102 S HN 0.778 nan 8.310 nan 0.000 0.499 1103 W N 2.703 123.899 121.300 -0.173 0.000 2.316 1103 W HA -0.208 4.452 4.660 -0.000 0.000 0.279 1103 W C 2.022 178.575 176.519 0.057 0.000 1.208 1103 W CA 0.952 58.283 57.345 -0.025 0.000 1.182 1103 W CB -0.293 29.148 29.460 -0.032 0.000 1.134 1103 W HN 0.611 nan 8.180 nan 0.000 0.560 1104 T N -4.664 110.019 114.554 0.215 0.000 3.091 1104 T HA 0.024 4.374 4.350 -0.000 0.000 0.277 1104 T C -0.330 174.433 174.700 0.106 0.000 0.996 1104 T CA -0.253 61.946 62.100 0.165 0.000 0.897 1104 T CB 0.042 68.978 68.868 0.114 0.000 1.109 1104 T HN -0.140 nan 8.240 nan 0.000 0.534 1105 D N 2.341 122.807 120.400 0.111 0.000 2.479 1105 D HA 0.358 4.998 4.640 -0.000 0.000 0.218 1105 D C 0.535 176.868 176.300 0.056 0.000 1.131 1105 D CA -0.666 53.411 54.000 0.128 0.000 0.916 1105 D CB 0.674 41.637 40.800 0.271 0.000 1.022 1105 D HN 0.246 nan 8.370 nan 0.000 0.515 1106 V N 1.456 121.364 119.914 -0.011 0.000 3.426 1106 V HA 0.255 4.375 4.120 -0.000 0.000 0.461 1106 V C 0.343 176.395 176.094 -0.069 0.000 1.576 1106 V CA -0.682 61.564 62.300 -0.090 0.000 1.732 1106 V CB -1.173 30.494 31.823 -0.259 0.000 1.199 1106 V HN 0.300 nan 8.190 nan 0.000 0.603 1107 L N 0.537 121.756 121.223 -0.007 0.000 2.472 1107 L HA 0.360 4.700 4.340 -0.000 0.000 0.260 1107 L C -0.622 176.214 176.870 -0.056 0.000 1.209 1107 L CA -1.363 53.485 54.840 0.014 0.000 0.817 1107 L CB 0.137 42.261 42.059 0.107 0.000 1.106 1107 L HN 0.052 nan 8.230 nan 0.000 0.479 1108 P HA -0.183 nan 4.420 nan 0.000 0.217 1108 P C 0.702 177.759 177.300 -0.405 0.000 1.148 1108 P CA 1.384 64.378 63.100 -0.177 0.000 0.828 1108 P CB 0.384 32.067 31.700 -0.029 0.000 0.783 1109 E N -2.688 117.331 120.200 -0.301 0.000 3.823 1109 E HA 0.106 4.456 4.350 -0.000 0.000 0.225 1109 E C 0.849 177.199 176.600 -0.417 0.000 1.257 1109 E CA -0.140 55.980 56.400 -0.467 0.000 1.684 1109 E CB -0.586 28.780 29.700 -0.557 0.000 1.550 1109 E HN -0.154 nan 8.360 nan 0.000 0.709 1110 F N 1.735 121.694 119.950 0.015 0.000 2.098 1110 F HA 0.349 4.876 4.527 -0.000 0.000 0.251 1110 F C 1.801 177.640 175.800 0.065 0.000 1.114 1110 F CA 1.334 59.346 58.000 0.020 0.000 1.264 1110 F CB -0.874 38.112 39.000 -0.022 0.000 1.704 1110 F HN 0.330 nan 8.300 nan 0.000 0.478 1111 G N -1.236 107.807 108.800 0.405 0.000 2.877 1111 G HA2 0.323 4.283 3.960 -0.000 0.000 0.279 1111 G HA3 0.323 4.283 3.960 -0.000 0.000 0.279 1111 G C 0.590 175.533 174.900 0.073 0.000 1.431 1111 G CA -0.187 45.046 45.100 0.222 0.000 0.883 1111 G HN 2.079 nan 8.290 nan 0.000 0.547 1112 G N -0.992 107.781 108.800 -0.046 0.000 2.176 1112 G HA2 0.108 4.068 3.960 -0.000 0.000 0.252 1112 G HA3 0.108 4.068 3.960 -0.000 0.000 0.252 1112 G C 0.388 174.859 174.900 -0.715 0.000 1.024 1112 G CA 1.291 46.243 45.100 -0.246 0.000 0.755 1112 G HN 2.410 nan 8.290 nan 0.000 0.507 1113 D N -0.787 119.316 120.400 -0.496 0.000 2.819 1113 D HA 0.200 4.840 4.640 -0.000 0.000 0.326 1113 D C 1.163 177.324 176.300 -0.231 0.000 1.408 1113 D CA 0.470 54.261 54.000 -0.348 0.000 0.811 1113 D CB -0.534 40.208 40.800 -0.098 0.000 1.148 1113 D HN 0.406 nan 8.370 nan 0.000 0.457 1114 T N -2.477 111.886 114.554 -0.319 0.000 3.134 1114 T HA 0.294 4.644 4.350 -0.000 0.000 0.260 1114 T C 0.193 174.950 174.700 0.094 0.000 1.027 1114 T CA -0.135 61.936 62.100 -0.049 0.000 0.913 1114 T CB -0.606 68.297 68.868 0.057 0.000 1.046 1114 T HN 0.308 nan 8.240 nan 0.000 0.553 1115 Y N -1.620 118.706 120.300 0.042 0.000 2.840 1115 Y HA 0.857 5.407 4.550 -0.000 0.000 0.324 1115 Y C 0.134 176.050 175.900 0.026 0.000 1.378 1115 Y CA -1.800 56.325 58.100 0.043 0.000 1.077 1115 Y CB 0.694 39.194 38.460 0.067 0.000 1.361 1115 Y HN 0.124 nan 8.280 nan 0.000 0.459 1116 G N -0.424 108.517 108.800 0.235 0.000 2.870 1116 G HA2 0.519 4.479 3.960 -0.000 0.000 0.299 1116 G HA3 0.519 4.479 3.960 -0.000 0.000 0.299 1116 G C -1.644 173.280 174.900 0.041 0.000 1.324 1116 G CA -1.206 43.934 45.100 0.066 0.000 0.808 1116 G HN 0.585 nan 8.290 nan 0.000 0.535 1117 S N 0.763 116.418 115.700 -0.076 0.000 2.537 1117 S HA 0.418 4.888 4.470 -0.000 0.000 0.275 1117 S C -0.508 173.995 174.600 -0.163 0.000 1.272 1117 S CA -0.129 57.990 58.200 -0.136 0.000 1.050 1117 S CB 0.725 63.803 63.200 -0.203 0.000 0.961 1117 S HN 0.570 nan 8.310 nan 0.000 0.496 1118 D N 2.032 122.327 120.400 -0.175 0.000 2.746 1118 D HA -0.161 4.479 4.640 -0.000 0.000 0.241 1118 D C -0.521 175.612 176.300 -0.278 0.000 1.140 1118 D CA 0.507 54.367 54.000 -0.234 0.000 0.707 1118 D CB -1.060 39.596 40.800 -0.241 0.000 1.034 1118 D HN 0.501 nan 8.370 nan 0.000 0.423 1119 N N 0.322 118.884 118.700 -0.231 0.000 2.733 1119 N HA 0.214 4.954 4.740 -0.000 0.000 0.271 1119 N C 0.414 175.891 175.510 -0.056 0.000 1.720 1119 N CA -0.432 52.492 53.050 -0.210 0.000 0.803 1119 N CB 0.078 38.561 38.487 -0.008 0.000 1.208 1119 N HN 0.067 nan 8.380 nan 0.000 0.498 1120 F N -0.006 119.936 119.950 -0.013 0.000 2.756 1120 F HA -0.425 4.102 4.527 -0.000 0.000 0.240 1120 F C 1.504 177.357 175.800 0.088 0.000 1.487 1120 F CA 1.683 59.690 58.000 0.011 0.000 1.859 1120 F CB -0.856 38.152 39.000 0.014 0.000 1.319 1120 F HN 0.270 nan 8.300 nan 0.000 0.230 1121 M N -0.345 119.486 119.600 0.385 0.000 2.405 1121 M HA 0.148 4.628 4.480 -0.000 0.000 0.292 1121 M C 1.379 177.783 176.300 0.173 0.000 1.111 1121 M CA 0.221 55.730 55.300 0.349 0.000 0.979 1121 M CB 0.455 33.200 32.600 0.242 0.000 1.426 1121 M HN 0.448 nan 8.290 nan 0.000 0.509 1122 Q N 1.011 120.899 119.800 0.148 0.000 2.084 1122 Q HA -0.050 4.290 4.340 -0.000 0.000 0.202 1122 Q C 0.877 176.870 176.000 -0.012 0.000 0.978 1122 Q CA 1.299 57.123 55.803 0.035 0.000 0.844 1122 Q CB 0.462 29.255 28.738 0.091 0.000 0.898 1122 Q HN 0.332 nan 8.270 nan 0.000 0.426 1123 Q N -0.567 119.265 119.800 0.053 0.000 2.352 1123 Q HA 0.203 4.543 4.340 -0.000 0.000 0.270 1123 Q C -1.466 174.510 176.000 -0.040 0.000 1.006 1123 Q CA -0.487 55.297 55.803 -0.030 0.000 0.880 1123 Q CB 1.601 30.403 28.738 0.107 0.000 1.392 1123 Q HN 0.216 nan 8.270 nan 0.000 0.401 1124 R N 0.430 120.825 120.500 -0.175 0.000 1.950 1124 R HA -0.114 4.226 4.340 -0.000 0.000 0.285 1124 R C -0.442 175.800 176.300 -0.096 0.000 1.303 1124 R CA 1.759 57.731 56.100 -0.214 0.000 1.306 1124 R CB -0.671 29.345 30.300 -0.473 0.000 3.532 1124 R HN 0.922 nan 8.270 nan 0.000 0.383 1125 G N 2.439 111.169 108.800 -0.117 0.000 2.356 1125 G HA2 0.227 4.187 3.960 -0.000 0.000 0.294 1125 G HA3 0.227 4.187 3.960 -0.000 0.000 0.294 1125 G C -1.519 173.091 174.900 -0.482 0.000 1.423 1125 G CA -0.922 43.996 45.100 -0.304 0.000 0.806 1125 G HN 0.590 nan 8.290 nan 0.000 0.527 1126 N N -0.536 117.903 118.700 -0.434 0.000 2.515 1126 N HA 0.479 5.219 4.740 -0.000 0.000 0.279 1126 N C 0.817 176.051 175.510 -0.458 0.000 1.164 1126 N CA 0.670 53.514 53.050 -0.342 0.000 0.982 1126 N CB 1.302 39.670 38.487 -0.198 0.000 1.170 1126 N HN 1.709 nan 8.380 nan 0.000 0.474 1127 G N 0.910 109.518 108.800 -0.319 0.000 2.291 1127 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.271 1127 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.271 1127 G C -0.639 174.273 174.900 0.020 0.000 1.099 1127 G CA -0.442 44.579 45.100 -0.132 0.000 0.919 1127 G HN 0.464 nan 8.290 nan 0.000 0.496 1128 F N 0.581 120.504 119.950 -0.045 0.000 2.411 1128 F HA 0.604 5.131 4.527 -0.000 0.000 0.352 1128 F C 0.699 176.589 175.800 0.150 0.000 1.123 1128 F CA -0.555 57.474 58.000 0.047 0.000 1.044 1128 F CB 1.850 40.819 39.000 -0.053 0.000 1.135 1128 F HN 0.377 nan 8.300 nan 0.000 0.461 1129 A N 3.207 126.373 122.820 0.577 0.000 2.288 1129 A HA 0.742 5.062 4.320 -0.000 0.000 0.320 1129 A C -0.584 177.218 177.584 0.364 0.000 1.217 1129 A CA -0.393 51.952 52.037 0.514 0.000 0.840 1129 A CB 0.732 20.165 19.000 0.721 0.000 1.179 1129 A HN 0.660 nan 8.150 nan 0.000 0.504 1130 T N 1.546 116.205 114.554 0.174 0.000 2.861 1130 T HA 0.528 4.878 4.350 -0.000 0.000 0.287 1130 T C -1.362 173.521 174.700 0.305 0.000 1.003 1130 T CA -0.198 61.992 62.100 0.151 0.000 0.977 1130 T CB 1.132 69.957 68.868 -0.073 0.000 0.996 1130 T HN 0.547 nan 8.240 nan 0.000 0.448 1131 Y N 2.755 123.147 120.300 0.153 0.000 2.361 1131 Y HA 0.654 5.204 4.550 -0.000 0.000 0.337 1131 Y C -0.678 175.214 175.900 -0.014 0.000 0.965 1131 Y CA -0.980 57.214 58.100 0.157 0.000 1.091 1131 Y CB 1.135 39.710 38.460 0.191 0.000 1.182 1131 Y HN 0.603 nan 8.280 nan 0.000 0.450 1132 R N 4.228 124.299 120.500 -0.714 0.000 2.673 1132 R HA 0.419 4.759 4.340 -0.000 0.000 0.281 1132 R C -1.841 173.888 176.300 -0.952 0.000 0.991 1132 R CA -1.211 54.464 56.100 -0.709 0.000 0.896 1132 R CB 1.866 31.933 30.300 -0.388 0.000 1.201 1132 R HN 0.644 nan 8.270 nan 0.000 0.457 1133 N N -0.057 118.079 118.700 -0.940 0.000 2.258 1133 N HA 0.250 4.990 4.740 -0.000 0.000 0.299 1133 N C -0.298 174.898 175.510 -0.523 0.000 1.047 1133 N CA -0.328 52.209 53.050 -0.855 0.000 0.814 1133 N CB 2.365 40.106 38.487 -1.243 0.000 1.413 1133 N HN 0.465 nan 8.380 nan 0.000 0.478 1134 T N 0.913 115.251 114.554 -0.359 0.000 2.837 1134 T HA 0.105 4.455 4.350 -0.000 0.000 0.248 1134 T C -0.877 173.796 174.700 -0.044 0.000 1.033 1134 T CA 1.080 63.075 62.100 -0.174 0.000 1.150 1134 T CB -0.156 68.633 68.868 -0.131 0.000 0.865 1134 T HN 0.676 nan 8.240 nan 0.000 0.425 1135 D N 0.601 120.992 120.400 -0.015 0.000 2.375 1135 D HA 0.275 4.915 4.640 -0.000 0.000 0.259 1135 D C -0.793 175.615 176.300 0.180 0.000 1.235 1135 D CA -0.564 53.506 54.000 0.117 0.000 0.924 1135 D CB 0.040 40.916 40.800 0.126 0.000 1.143 1135 D HN 0.124 nan 8.370 nan 0.000 0.529 1136 F N 2.975 122.949 119.950 0.039 0.000 2.139 1136 F HA -0.316 4.211 4.527 -0.000 0.000 0.120 1136 F C -0.057 175.889 175.800 0.242 0.000 1.078 1136 F CA 0.508 58.563 58.000 0.092 0.000 0.705 1136 F CB -1.220 37.933 39.000 0.254 0.000 0.565 1136 F HN 0.501 nan 8.300 nan 0.000 0.773 1137 F N 0.195 120.146 119.950 0.002 0.000 2.988 1137 F HA -0.229 4.298 4.527 -0.000 0.000 0.287 1137 F C 1.548 177.362 175.800 0.024 0.000 0.781 1137 F CA 0.715 58.691 58.000 -0.041 0.000 1.221 1137 F CB -1.649 37.263 39.000 -0.146 0.000 1.392 1137 F HN 0.807 nan 8.300 nan 0.000 0.425 1138 G N -0.034 108.851 108.800 0.142 0.000 2.195 1138 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.246 1138 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.246 1138 G C 0.278 175.264 174.900 0.144 0.000 0.984 1138 G CA 0.124 45.297 45.100 0.121 0.000 0.633 1138 G HN 1.170 nan 8.290 nan 0.000 0.525 1139 L N -0.731 120.612 121.223 0.199 0.000 3.154 1139 L HA 0.810 5.150 4.340 -0.000 0.000 0.266 1139 L C -0.076 176.948 176.870 0.256 0.000 1.300 1139 L CA -0.191 54.772 54.840 0.205 0.000 1.028 1139 L CB -0.142 42.029 42.059 0.186 0.000 1.412 1139 L HN 1.241 nan 8.230 nan 0.000 0.564 1140 V N -0.143 119.916 119.914 0.241 0.000 2.726 1140 V HA 0.356 4.476 4.120 -0.000 0.000 0.255 1140 V C -2.402 173.835 176.094 0.238 0.000 1.813 1140 V CA -0.426 62.003 62.300 0.214 0.000 0.856 1140 V CB 1.863 33.800 31.823 0.190 0.000 1.370 1140 V HN 0.495 nan 8.190 nan 0.000 0.447 1141 D N 3.797 124.345 120.400 0.247 0.000 2.620 1141 D HA 0.718 5.358 4.640 -0.000 0.000 0.252 1141 D C 0.605 177.069 176.300 0.273 0.000 1.207 1141 D CA 1.182 55.316 54.000 0.223 0.000 0.884 1141 D CB 1.668 42.571 40.800 0.172 0.000 1.262 1141 D HN 1.954 nan 8.370 nan 0.000 0.552 1142 G N 2.755 111.680 108.800 0.208 0.000 2.147 1142 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 1142 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 1142 G C -0.335 174.765 174.900 0.333 0.000 1.005 1142 G CA 0.162 45.364 45.100 0.170 0.000 0.713 1142 G HN 0.491 nan 8.290 nan 0.000 0.515 1143 L N 1.689 123.168 121.223 0.426 0.000 2.319 1143 L HA 0.708 5.048 4.340 -0.000 0.000 0.281 1143 L C 0.054 177.109 176.870 0.309 0.000 1.005 1143 L CA -0.813 54.282 54.840 0.425 0.000 0.828 1143 L CB 0.845 43.065 42.059 0.268 0.000 1.227 1143 L HN 0.449 nan 8.230 nan 0.000 0.415 1144 N N 3.347 122.212 118.700 0.276 0.000 2.853 1144 N HA 0.685 5.425 4.740 -0.000 0.000 0.258 1144 N C -1.442 174.245 175.510 0.296 0.000 1.444 1144 N CA -0.752 52.440 53.050 0.237 0.000 0.837 1144 N CB 2.272 40.780 38.487 0.035 0.000 1.489 1144 N HN 0.366 nan 8.380 nan 0.000 0.529 1145 F N -2.620 117.355 119.950 0.042 0.000 2.713 1145 F HA 0.878 5.405 4.527 -0.000 0.000 0.311 1145 F C -2.166 173.662 175.800 0.047 0.000 1.141 1145 F CA -0.874 57.161 58.000 0.058 0.000 0.939 1145 F CB 1.312 40.391 39.000 0.132 0.000 1.325 1145 F HN 0.799 nan 8.300 nan 0.000 0.453 1146 A N 1.845 124.744 122.820 0.131 0.000 2.547 1146 A HA 0.803 5.123 4.320 -0.000 0.000 0.297 1146 A C -2.244 175.487 177.584 0.245 0.000 1.056 1146 A CA -0.601 51.453 52.037 0.029 0.000 0.688 1146 A CB 1.662 20.635 19.000 -0.045 0.000 1.282 1146 A HN 1.798 nan 8.150 nan 0.000 0.400 1147 V N 1.778 121.861 119.914 0.282 0.000 3.007 1147 V HA 0.891 5.011 4.120 -0.000 0.000 0.311 1147 V C -1.268 174.960 176.094 0.223 0.000 1.120 1147 V CA -0.141 62.319 62.300 0.266 0.000 0.980 1147 V CB 2.154 34.172 31.823 0.325 0.000 1.033 1147 V HN 1.442 nan 8.190 nan 0.000 0.429 1148 Q N 4.325 124.233 119.800 0.180 0.000 2.472 1148 Q HA 0.572 4.912 4.340 -0.000 0.000 0.281 1148 Q C -2.275 173.884 176.000 0.265 0.000 0.997 1148 Q CA -0.827 55.093 55.803 0.194 0.000 0.828 1148 Q CB 2.183 30.937 28.738 0.026 0.000 1.443 1148 Q HN 0.859 nan 8.270 nan 0.000 0.390 1149 Y N 1.519 121.951 120.300 0.219 0.000 2.373 1149 Y HA 0.381 4.931 4.550 -0.000 0.000 0.336 1149 Y C -1.743 174.352 175.900 0.325 0.000 0.979 1149 Y CA -0.420 57.819 58.100 0.232 0.000 1.080 1149 Y CB 2.184 40.766 38.460 0.203 0.000 1.190 1149 Y HN 0.815 nan 8.280 nan 0.000 0.446 1150 Q N 4.678 124.422 119.800 -0.093 0.000 2.333 1150 Q HA 0.692 5.032 4.340 -0.000 0.000 0.265 1150 Q C -0.246 175.523 176.000 -0.384 0.000 0.989 1150 Q CA -1.097 54.653 55.803 -0.088 0.000 0.842 1150 Q CB 1.951 30.711 28.738 0.037 0.000 1.262 1150 Q HN 0.922 nan 8.270 nan 0.000 0.451 1151 G N 2.461 111.176 108.800 -0.142 0.000 2.491 1151 G HA2 0.065 4.025 3.960 -0.000 0.000 0.242 1151 G HA3 0.065 4.025 3.960 -0.000 0.000 0.242 1151 G C -0.519 174.345 174.900 -0.060 0.000 1.266 1151 G CA -0.656 44.410 45.100 -0.057 0.000 0.844 1151 G HN 0.771 nan 8.290 nan 0.000 0.571 1152 K N 1.338 121.720 120.400 -0.031 0.000 2.511 1152 K HA -0.080 4.240 4.320 -0.000 0.000 0.277 1152 K C -0.463 176.120 176.600 -0.029 0.000 1.025 1152 K CA 0.476 56.752 56.287 -0.018 0.000 1.112 1152 K CB 0.034 32.545 32.500 0.018 0.000 0.859 1152 K HN 0.551 nan 8.250 nan 0.000 0.485 1153 N N 3.942 122.602 118.700 -0.066 0.000 2.569 1153 N HA 0.156 4.896 4.740 -0.000 0.000 0.254 1153 N C -0.062 175.397 175.510 -0.085 0.000 1.004 1153 N CA -0.450 52.552 53.050 -0.080 0.000 0.904 1153 N CB 1.930 40.343 38.487 -0.124 0.000 1.165 1153 N HN 0.749 nan 8.380 nan 0.000 0.513 1154 G N 1.545 110.310 108.800 -0.058 0.000 3.380 1154 G HA2 0.137 4.097 3.960 -0.000 0.000 0.188 1154 G HA3 0.137 4.097 3.960 -0.000 0.000 0.188 1154 G C 0.212 175.058 174.900 -0.090 0.000 1.892 1154 G CA -0.033 45.038 45.100 -0.049 0.000 0.912 1154 G HN 0.338 nan 8.290 nan 0.000 0.609 1155 N N 0.711 119.354 118.700 -0.095 0.000 2.472 1155 N HA 0.358 5.098 4.740 -0.000 0.000 0.289 1155 N C -1.873 173.433 175.510 -0.340 0.000 1.156 1155 N CA -1.590 51.360 53.050 -0.168 0.000 0.940 1155 N CB 2.162 40.574 38.487 -0.125 0.000 1.200 1155 N HN -0.086 nan 8.380 nan 0.000 0.511 1156 P HA 0.003 nan 4.420 nan 0.000 0.217 1156 P C 0.703 176.990 177.300 -1.688 0.000 1.151 1156 P CA 1.046 63.613 63.100 -0.889 0.000 0.828 1156 P CB 0.345 31.716 31.700 -0.548 0.000 0.788 1157 S N -0.403 114.941 115.700 -0.593 0.000 2.792 1157 S HA 0.006 4.476 4.470 -0.000 0.000 0.372 1157 S C 1.675 176.586 174.600 0.518 0.000 1.449 1157 S CA 1.469 59.716 58.200 0.078 0.000 2.377 1157 S CB -1.266 61.962 63.200 0.047 0.000 0.838 1157 S HN 0.318 nan 8.310 nan 0.000 0.331 1158 G N -0.318 108.636 108.800 0.257 0.000 4.530 1158 G HA2 0.432 4.392 3.960 -0.000 0.000 0.284 1158 G HA3 0.432 4.392 3.960 -0.000 0.000 0.284 1158 G C -0.651 174.320 174.900 0.118 0.000 1.008 1158 G CA -0.001 45.209 45.100 0.182 0.000 0.770 1158 G HN 0.380 nan 8.290 nan 0.000 0.424 1159 E N -0.222 120.054 120.200 0.126 0.000 2.593 1159 E HA 0.440 4.790 4.350 -0.000 0.000 0.362 1159 E C 0.414 177.066 176.600 0.087 0.000 0.962 1159 E CA -0.207 56.245 56.400 0.087 0.000 0.760 1159 E CB 0.286 30.023 29.700 0.062 0.000 1.521 1159 E HN 0.909 nan 8.360 nan 0.000 0.384 1160 G N 3.492 112.349 108.800 0.096 0.000 2.141 1160 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.231 1160 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.231 1160 G C 0.290 175.263 174.900 0.121 0.000 0.984 1160 G CA -0.255 44.897 45.100 0.087 0.000 0.660 1160 G HN 0.441 nan 8.290 nan 0.000 0.525 1161 F N 1.989 121.946 119.950 0.010 0.000 2.689 1161 F HA 0.309 4.836 4.527 -0.000 0.000 0.312 1161 F C 1.512 177.317 175.800 0.009 0.000 1.119 1161 F CA 2.127 60.132 58.000 0.008 0.000 1.329 1161 F CB 0.593 39.598 39.000 0.008 0.000 1.024 1161 F HN 0.405 nan 8.300 nan 0.000 0.643 1162 T N -0.136 114.502 114.554 0.140 0.000 2.933 1162 T HA 0.356 4.706 4.350 -0.000 0.000 0.305 1162 T C 0.444 175.243 174.700 0.164 0.000 1.092 1162 T CA -0.330 61.846 62.100 0.125 0.000 1.008 1162 T CB 1.406 70.307 68.868 0.055 0.000 1.102 1162 T HN 0.831 nan 8.240 nan 0.000 0.469 1163 S N 2.577 118.385 115.700 0.181 0.000 2.225 1163 S HA -0.170 4.300 4.470 -0.000 0.000 0.410 1163 S C 1.083 175.745 174.600 0.104 0.000 1.068 1163 S CA 1.911 60.201 58.200 0.151 0.000 2.275 1163 S CB -1.392 61.868 63.200 0.100 0.000 1.740 1163 S HN 1.849 nan 8.310 nan 0.000 0.508 1164 G N 0.843 109.672 108.800 0.049 0.000 2.660 1164 G HA2 0.618 4.578 3.960 -0.000 0.000 0.305 1164 G HA3 0.618 4.578 3.960 -0.000 0.000 0.305 1164 G C -1.067 173.813 174.900 -0.032 0.000 1.329 1164 G CA 0.008 45.115 45.100 0.011 0.000 1.000 1164 G HN 0.822 nan 8.290 nan 0.000 0.514 1165 V N 0.383 120.248 119.914 -0.082 0.000 3.156 1165 V HA 0.909 5.029 4.120 -0.000 0.000 0.306 1165 V C -0.222 175.765 176.094 -0.179 0.000 1.468 1165 V CA -0.766 61.450 62.300 -0.140 0.000 1.047 1165 V CB 1.545 33.254 31.823 -0.191 0.000 1.078 1165 V HN 0.903 nan 8.190 nan 0.000 0.468 1166 T N 0.026 114.467 114.554 -0.189 0.000 2.786 1166 T HA 0.364 4.714 4.350 -0.000 0.000 0.316 1166 T C -1.059 173.548 174.700 -0.156 0.000 1.503 1166 T CA -0.327 61.674 62.100 -0.164 0.000 1.019 1166 T CB 1.757 70.533 68.868 -0.153 0.000 1.415 1166 T HN 1.081 nan 8.240 nan 0.000 0.496 1167 N N 2.169 120.786 118.700 -0.138 0.000 2.318 1167 N HA 0.211 4.951 4.740 -0.000 0.000 0.283 1167 N C 0.467 175.903 175.510 -0.123 0.000 1.306 1167 N CA 0.011 52.992 53.050 -0.116 0.000 0.941 1167 N CB -0.056 38.368 38.487 -0.105 0.000 1.059 1167 N HN 0.845 nan 8.380 nan 0.000 0.496 1168 N N -2.959 115.672 118.700 -0.115 0.000 2.011 1168 N HA 0.055 4.795 4.740 -0.000 0.000 0.228 1168 N C 1.503 176.923 175.510 -0.150 0.000 1.378 1168 N CA 0.364 53.336 53.050 -0.131 0.000 0.852 1168 N CB -0.382 38.053 38.487 -0.088 0.000 1.111 1168 N HN 0.589 nan 8.380 nan 0.000 0.497 1169 G N 2.197 110.910 108.800 -0.146 0.000 2.785 1169 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.225 1169 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.225 1169 G C 1.454 176.223 174.900 -0.218 0.000 1.093 1169 G CA 1.072 46.072 45.100 -0.165 0.000 0.740 1169 G HN 0.440 nan 8.290 nan 0.000 0.629 1170 R N 0.290 120.658 120.500 -0.220 0.000 2.472 1170 R HA 0.223 4.563 4.340 -0.000 0.000 0.279 1170 R C -0.370 175.745 176.300 -0.308 0.000 0.953 1170 R CA -0.139 55.797 56.100 -0.273 0.000 1.088 1170 R CB 0.420 30.578 30.300 -0.236 0.000 1.197 1170 R HN 0.292 nan 8.270 nan 0.000 0.536 1182 G N -1.009 107.814 108.800 0.038 0.000 2.684 1182 G HA2 0.998 4.958 3.960 -0.000 0.000 0.290 1182 G HA3 0.998 4.958 3.960 -0.000 0.000 0.290 1182 G C -0.614 174.317 174.900 0.051 0.000 1.425 1182 G CA 0.440 45.586 45.100 0.077 0.000 0.822 1182 G HN 1.953 nan 8.290 nan 0.000 0.482 1183 S N -0.918 114.837 115.700 0.092 0.000 2.565 1183 S HA 0.768 5.238 4.470 -0.000 0.000 0.269 1183 S C -0.971 173.717 174.600 0.148 0.000 1.153 1183 S CA -0.812 57.422 58.200 0.056 0.000 0.835 1183 S CB 1.979 65.152 63.200 -0.046 0.000 1.122 1183 S HN 1.868 nan 8.310 nan 0.000 0.462 1184 I N -0.990 119.656 120.570 0.126 0.000 2.828 1184 I HA 0.954 5.124 4.170 -0.000 0.000 0.302 1184 I C -0.763 175.442 176.117 0.146 0.000 1.101 1184 I CA -0.728 60.683 61.300 0.185 0.000 1.031 1184 I CB 1.042 39.121 38.000 0.131 0.000 1.231 1184 I HN 1.155 nan 8.210 nan 0.000 0.427 1185 T N 1.823 116.502 114.554 0.209 0.000 3.012 1185 T HA 0.583 4.933 4.350 -0.000 0.000 0.330 1185 T C -1.759 173.178 174.700 0.395 0.000 1.321 1185 T CA -0.493 61.774 62.100 0.278 0.000 1.067 1185 T CB 1.514 70.531 68.868 0.249 0.000 1.235 1185 T HN 0.852 nan 8.240 nan 0.000 0.479 1186 Y N 1.027 121.498 120.300 0.284 0.000 2.524 1186 Y HA 0.649 5.199 4.550 -0.000 0.000 0.344 1186 Y C 0.166 176.257 175.900 0.319 0.000 1.012 1186 Y CA -1.058 57.205 58.100 0.271 0.000 1.068 1186 Y CB 2.539 41.122 38.460 0.206 0.000 1.249 1186 Y HN 0.838 nan 8.280 nan 0.000 0.468 1187 D N 1.279 121.116 120.400 -0.938 0.000 2.431 1187 D HA -0.019 4.621 4.640 -0.000 0.000 0.227 1187 D C -0.519 175.562 176.300 -0.364 0.000 1.030 1187 D CA 0.623 54.282 54.000 -0.567 0.000 0.897 1187 D CB -0.130 40.511 40.800 -0.265 0.000 1.058 1187 D HN 0.439 nan 8.370 nan 0.000 0.500 1188 Y N 2.095 122.077 120.300 -0.530 0.000 2.735 1188 Y HA -0.178 4.372 4.550 -0.000 0.000 0.332 1188 Y C -0.371 175.551 175.900 0.036 0.000 1.174 1188 Y CA -0.786 57.258 58.100 -0.093 0.000 1.177 1188 Y CB -2.243 36.228 38.460 0.019 0.000 1.266 1188 Y HN -0.085 nan 8.280 nan 0.000 0.353 1189 E N 1.424 121.579 120.200 -0.076 0.000 0.843 1189 E HA -0.070 4.280 4.350 -0.000 0.000 0.347 1189 E C 1.058 177.519 176.600 -0.231 0.000 1.156 1189 E CA 2.064 58.391 56.400 -0.123 0.000 1.297 1189 E CB -1.043 28.631 29.700 -0.045 0.000 0.467 1189 E HN 1.712 nan 8.360 nan 0.000 0.352 1190 G N 1.891 110.425 108.800 -0.444 0.000 2.967 1190 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.684 1190 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.684 1190 G C -0.243 174.240 174.900 -0.695 0.000 1.596 1190 G CA -0.083 44.539 45.100 -0.797 0.000 1.102 1190 G HN 0.876 nan 8.290 nan 0.000 0.596 1191 F N -2.489 117.115 119.950 -0.576 0.000 2.161 1191 F HA 0.177 4.704 4.527 -0.000 0.000 0.526 1191 F C 0.864 176.322 175.800 -0.569 0.000 1.294 1191 F CA 0.670 58.351 58.000 -0.531 0.000 1.685 1191 F CB -0.988 37.494 39.000 -0.863 0.000 2.699 1191 F HN 1.524 nan 8.300 nan 0.000 0.723 1192 G N 3.912 112.555 108.800 -0.262 0.000 2.591 1192 G HA2 0.815 4.775 3.960 -0.000 0.000 0.306 1192 G HA3 0.815 4.775 3.960 -0.000 0.000 0.306 1192 G C -1.089 173.884 174.900 0.122 0.000 1.334 1192 G CA -0.912 44.084 45.100 -0.174 0.000 0.981 1192 G HN 0.460 nan 8.290 nan 0.000 0.491 1193 I N 0.290 121.060 120.570 0.333 0.000 2.750 1193 I HA 0.863 5.033 4.170 -0.000 0.000 0.308 1193 I C 0.520 176.931 176.117 0.490 0.000 1.016 1193 I CA -1.193 60.335 61.300 0.381 0.000 1.098 1193 I CB 1.382 39.581 38.000 0.332 0.000 1.279 1193 I HN 0.695 nan 8.210 nan 0.000 0.454 1194 G N 0.948 109.992 108.800 0.406 0.000 2.759 1194 G HA2 0.632 4.592 3.960 -0.000 0.000 0.297 1194 G HA3 0.632 4.592 3.960 -0.000 0.000 0.297 1194 G C -1.163 173.820 174.900 0.137 0.000 1.434 1194 G CA -0.584 44.658 45.100 0.237 0.000 0.980 1194 G HN 0.920 nan 8.290 nan 0.000 0.531 1195 G N -0.821 108.032 108.800 0.089 0.000 2.448 1195 G HA2 0.896 4.856 3.960 -0.000 0.000 0.324 1195 G HA3 0.896 4.856 3.960 -0.000 0.000 0.324 1195 G C -0.543 174.364 174.900 0.013 0.000 1.203 1195 G CA 0.030 45.171 45.100 0.068 0.000 0.954 1195 G HN 1.544 nan 8.290 nan 0.000 0.480 1196 A N 0.933 123.753 122.820 -0.001 0.000 2.486 1196 A HA 0.805 5.125 4.320 -0.000 0.000 0.300 1196 A C -1.302 176.263 177.584 -0.033 0.000 1.048 1196 A CA -0.490 51.525 52.037 -0.037 0.000 0.696 1196 A CB 1.410 20.349 19.000 -0.102 0.000 1.278 1196 A HN 0.638 nan 8.150 nan 0.000 0.405 1197 I N 1.215 121.756 120.570 -0.048 0.000 2.647 1197 I HA 0.700 4.870 4.170 -0.000 0.000 0.295 1197 I C 0.151 176.177 176.117 -0.152 0.000 1.078 1197 I CA -0.220 61.002 61.300 -0.131 0.000 1.048 1197 I CB 2.464 40.441 38.000 -0.038 0.000 1.239 1197 I HN 0.755 nan 8.210 nan 0.000 0.421 1198 S N 2.613 118.159 115.700 -0.257 0.000 2.537 1198 S HA 0.855 5.325 4.470 -0.000 0.000 0.270 1198 S C -1.063 173.435 174.600 -0.169 0.000 1.142 1198 S CA -0.664 57.447 58.200 -0.149 0.000 0.870 1198 S CB 1.893 65.032 63.200 -0.102 0.000 1.112 1198 S HN 0.573 nan 8.310 nan 0.000 0.466 1199 S N 1.118 116.764 115.700 -0.090 0.000 2.619 1199 S HA 0.779 5.249 4.470 -0.000 0.000 0.280 1199 S C -1.347 173.209 174.600 -0.072 0.000 1.150 1199 S CA -0.484 57.654 58.200 -0.103 0.000 0.978 1199 S CB 1.249 64.410 63.200 -0.064 0.000 1.041 1199 S HN 0.912 nan 8.310 nan 0.000 0.485 1200 S N 3.345 118.970 115.700 -0.124 0.000 2.532 1200 S HA 0.470 4.940 4.470 -0.000 0.000 0.299 1200 S C -0.695 173.881 174.600 -0.040 0.000 1.105 1200 S CA -0.959 57.216 58.200 -0.042 0.000 1.018 1200 S CB 1.621 64.886 63.200 0.108 0.000 1.021 1200 S HN 0.718 nan 8.310 nan 0.000 0.483 1201 K N 2.309 122.717 120.400 0.013 0.000 2.436 1201 K HA 0.128 4.448 4.320 -0.000 0.000 0.275 1201 K C -0.208 176.431 176.600 0.066 0.000 0.999 1201 K CA 0.056 56.356 56.287 0.022 0.000 0.980 1201 K CB 0.413 32.933 32.500 0.033 0.000 0.919 1201 K HN 0.580 nan 8.250 nan 0.000 0.484 1202 R N 2.108 122.647 120.500 0.066 0.000 2.474 1202 R HA 0.245 4.585 4.340 -0.000 0.000 0.295 1202 R C -0.194 176.177 176.300 0.119 0.000 0.980 1202 R CA -0.832 55.365 56.100 0.163 0.000 0.934 1202 R CB 0.946 31.343 30.300 0.162 0.000 1.101 1202 R HN 0.797 nan 8.270 nan 0.000 0.469 1203 T N -1.347 113.278 114.554 0.118 0.000 2.900 1203 T HA 0.002 4.352 4.350 -0.000 0.000 0.307 1203 T C 0.582 175.319 174.700 0.062 0.000 1.065 1203 T CA -0.567 61.575 62.100 0.070 0.000 1.105 1203 T CB 0.647 69.541 68.868 0.043 0.000 0.979 1203 T HN 0.443 nan 8.240 nan 0.000 0.544 1204 D N 1.663 122.092 120.400 0.049 0.000 2.149 1204 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 1204 D C 2.355 178.681 176.300 0.044 0.000 0.990 1204 D CA 1.772 55.799 54.000 0.046 0.000 0.839 1204 D CB -0.852 39.972 40.800 0.040 0.000 0.948 1204 D HN 0.785 nan 8.370 nan 0.000 0.460 1205 A N 1.136 123.977 122.820 0.035 0.000 1.948 1205 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 1205 A C 1.982 179.589 177.584 0.038 0.000 1.177 1205 A CA 1.882 53.935 52.037 0.027 0.000 0.636 1205 A CB -0.689 18.315 19.000 0.006 0.000 0.815 1205 A HN 0.443 nan 8.150 nan 0.000 0.449 1206 Q N -0.925 118.905 119.800 0.051 0.000 2.451 1206 Q HA 0.065 4.405 4.340 -0.000 0.000 0.206 1206 Q C -0.339 175.710 176.000 0.081 0.000 0.947 1206 Q CA 0.318 56.161 55.803 0.067 0.000 0.937 1206 Q CB -0.167 28.631 28.738 0.100 0.000 1.025 1206 Q HN 0.431 nan 8.270 nan 0.000 0.511 1207 N N 1.977 120.720 118.700 0.072 0.000 3.091 1207 N HA 0.088 4.828 4.740 -0.000 0.000 0.255 1207 N C -0.903 174.645 175.510 0.064 0.000 1.204 1207 N CA 0.233 53.325 53.050 0.071 0.000 0.990 1207 N CB 1.377 39.902 38.487 0.064 0.000 1.260 1207 N HN 0.267 nan 8.380 nan 0.000 0.502 1208 T N -2.307 112.290 114.554 0.070 0.000 4.205 1208 T HA 0.351 4.701 4.350 -0.000 0.000 0.219 1208 T C 0.614 175.355 174.700 0.069 0.000 0.975 1208 T CA 0.102 62.239 62.100 0.061 0.000 1.484 1208 T CB -0.279 68.621 68.868 0.054 0.000 0.805 1208 T HN 0.248 nan 8.240 nan 0.000 0.616 1209 A N 0.084 122.948 122.820 0.073 0.000 2.985 1209 A HA 0.010 4.330 4.320 -0.000 0.000 0.276 1209 A C 1.178 178.810 177.584 0.080 0.000 1.270 1209 A CA 1.522 53.600 52.037 0.069 0.000 0.982 1209 A CB -2.187 16.839 19.000 0.043 0.000 0.977 1209 A HN 2.145 nan 8.150 nan 0.000 0.682 1210 A N -1.259 121.630 122.820 0.116 0.000 2.286 1210 A HA 0.601 4.920 4.320 -0.000 0.000 0.286 1210 A C 1.084 178.868 177.584 0.334 0.000 1.097 1210 A CA 0.127 52.283 52.037 0.198 0.000 0.821 1210 A CB -0.005 19.127 19.000 0.220 0.000 1.076 1210 A HN 1.234 nan 8.150 nan 0.000 0.490 1211 Y N 0.469 120.796 120.300 0.045 0.000 2.143 1211 Y HA -0.292 4.258 4.550 -0.000 0.000 0.226 1211 Y C 0.863 176.818 175.900 0.091 0.000 1.288 1211 Y CA 1.659 59.802 58.100 0.072 0.000 0.998 1211 Y CB -2.088 36.418 38.460 0.077 0.000 0.792 1211 Y HN 0.759 nan 8.280 nan 0.000 0.532 1212 I N -4.771 115.926 120.570 0.212 0.000 2.739 1212 I HA 0.650 4.820 4.170 -0.000 0.000 0.288 1212 I C -0.272 175.925 176.117 0.133 0.000 1.582 1212 I CA -0.794 60.610 61.300 0.174 0.000 1.035 1212 I CB 2.052 40.180 38.000 0.214 0.000 1.432 1212 I HN 0.582 nan 8.210 nan 0.000 0.444 1213 G N 2.215 111.088 108.800 0.122 0.000 3.199 1213 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.680 1213 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.680 1213 G C -0.662 174.292 174.900 0.090 0.000 1.197 1213 G CA -0.319 44.843 45.100 0.103 0.000 1.143 1213 G HN 1.196 nan 8.290 nan 0.000 0.492 1214 N N 1.207 119.955 118.700 0.081 0.000 2.670 1214 N HA 0.411 5.151 4.740 -0.000 0.000 0.296 1214 N C 1.229 176.777 175.510 0.062 0.000 1.216 1214 N CA 0.692 53.782 53.050 0.067 0.000 1.123 1214 N CB 0.171 38.694 38.487 0.060 0.000 1.459 1214 N HN 1.639 nan 8.380 nan 0.000 0.509 1215 G N 1.663 110.502 108.800 0.065 0.000 2.865 1215 G HA2 0.054 4.014 3.960 -0.000 0.000 0.292 1215 G HA3 0.054 4.014 3.960 -0.000 0.000 0.292 1215 G C 0.641 175.563 174.900 0.037 0.000 0.800 1215 G CA -0.449 44.684 45.100 0.055 0.000 1.838 1215 G HN 0.593 nan 8.290 nan 0.000 0.535 1216 D N 2.337 122.751 120.400 0.024 0.000 2.087 1216 D HA 0.005 4.645 4.640 -0.000 0.000 0.210 1216 D C 1.466 177.759 176.300 -0.012 0.000 0.973 1216 D CA 0.881 54.889 54.000 0.012 0.000 0.882 1216 D CB 0.342 41.149 40.800 0.012 0.000 1.019 1216 D HN 0.345 nan 8.370 nan 0.000 0.450 1217 R N -0.905 119.572 120.500 -0.038 0.000 2.700 1217 R HA 0.758 5.098 4.340 -0.000 0.000 0.253 1217 R C -0.522 175.671 176.300 -0.178 0.000 1.091 1217 R CA -0.687 55.361 56.100 -0.087 0.000 1.104 1217 R CB 1.554 31.812 30.300 -0.069 0.000 1.202 1217 R HN 0.136 nan 8.270 nan 0.000 0.532 1218 A N 0.569 123.179 122.820 -0.350 0.000 2.342 1218 A HA 0.547 4.867 4.320 -0.000 0.000 0.323 1218 A C -1.098 176.306 177.584 -0.301 0.000 1.125 1218 A CA -0.539 51.203 52.037 -0.492 0.000 0.785 1218 A CB 1.013 19.235 19.000 -1.296 0.000 1.221 1218 A HN 0.646 nan 8.150 nan 0.000 0.463 1219 E N 0.589 120.712 120.200 -0.127 0.000 2.308 1219 E HA 0.559 4.909 4.350 -0.000 0.000 0.275 1219 E C -1.324 175.253 176.600 -0.038 0.000 0.890 1219 E CA -0.626 55.722 56.400 -0.087 0.000 0.754 1219 E CB 2.516 32.256 29.700 0.066 0.000 1.207 1219 E HN 0.772 nan 8.360 nan 0.000 0.426 1220 T N -0.599 113.794 114.554 -0.268 0.000 2.933 1220 T HA 0.640 4.990 4.350 -0.000 0.000 0.305 1220 T C -1.207 173.255 174.700 -0.397 0.000 1.092 1220 T CA -0.686 61.316 62.100 -0.164 0.000 1.008 1220 T CB 0.789 69.588 68.868 -0.115 0.000 1.102 1220 T HN 0.337 nan 8.240 nan 0.000 0.469 1221 Y N 0.381 120.708 120.300 0.045 0.000 2.386 1221 Y HA 0.700 5.250 4.550 -0.000 0.000 0.334 1221 Y C 0.230 176.145 175.900 0.024 0.000 1.002 1221 Y CA -0.701 57.434 58.100 0.059 0.000 1.068 1221 Y CB 2.861 41.391 38.460 0.116 0.000 1.203 1221 Y HN 0.958 nan 8.280 nan 0.000 0.443 1222 T N 2.062 116.705 114.554 0.148 0.000 3.032 1222 T HA 0.736 5.086 4.350 -0.000 0.000 0.312 1222 T C -0.797 173.962 174.700 0.099 0.000 1.078 1222 T CA -0.478 61.669 62.100 0.078 0.000 1.028 1222 T CB 0.877 69.730 68.868 -0.024 0.000 1.091 1222 T HN 0.930 nan 8.240 nan 0.000 0.457 1223 G N 1.433 110.324 108.800 0.151 0.000 2.524 1223 G HA2 0.775 4.735 3.960 -0.000 0.000 0.310 1223 G HA3 0.775 4.735 3.960 -0.000 0.000 0.310 1223 G C -0.473 174.544 174.900 0.196 0.000 1.279 1223 G CA -0.511 44.694 45.100 0.175 0.000 0.974 1223 G HN 0.980 nan 8.290 nan 0.000 0.484 1224 G N -0.624 108.313 108.800 0.228 0.000 2.690 1224 G HA2 0.606 4.566 3.960 -0.000 0.000 0.293 1224 G HA3 0.606 4.566 3.960 -0.000 0.000 0.293 1224 G C -2.077 173.065 174.900 0.404 0.000 1.399 1224 G CA -0.593 44.702 45.100 0.325 0.000 0.890 1224 G HN 0.613 nan 8.290 nan 0.000 0.485 1225 L N 0.762 122.170 121.223 0.308 0.000 2.386 1225 L HA 0.802 5.142 4.340 -0.000 0.000 0.271 1225 L C -0.050 176.799 176.870 -0.035 0.000 0.993 1225 L CA -0.779 54.157 54.840 0.159 0.000 0.819 1225 L CB 2.009 44.158 42.059 0.149 0.000 1.294 1225 L HN 0.872 nan 8.230 nan 0.000 0.414 1226 K N 2.242 122.488 120.400 -0.257 0.000 2.555 1226 K HA 0.611 4.931 4.320 -0.000 0.000 0.279 1226 K C -2.123 174.175 176.600 -0.503 0.000 0.986 1226 K CA -0.880 55.112 56.287 -0.491 0.000 0.880 1226 K CB 2.171 34.123 32.500 -0.913 0.000 1.474 1226 K HN 0.318 nan 8.250 nan 0.000 0.433 1227 Y N 1.334 121.183 120.300 -0.751 0.000 2.362 1227 Y HA 0.435 4.985 4.550 -0.000 0.000 0.326 1227 Y C -2.230 173.158 175.900 -0.854 0.000 1.083 1227 Y CA -0.745 56.860 58.100 -0.825 0.000 1.073 1227 Y CB 2.075 40.131 38.460 -0.674 0.000 1.211 1227 Y HN 0.868 nan 8.280 nan 0.000 0.433 1228 D N 5.044 124.333 120.400 -1.853 0.000 2.452 1228 D HA 0.679 5.319 4.640 -0.000 0.000 0.226 1228 D C -1.786 173.936 176.300 -0.962 0.000 1.366 1228 D CA 0.397 53.663 54.000 -1.224 0.000 0.986 1228 D CB 0.934 41.222 40.800 -0.853 0.000 1.420 1228 D HN 0.963 nan 8.370 nan 0.000 0.583 1229 A N 3.351 125.713 122.820 -0.765 0.000 2.588 1229 A HA 0.519 4.839 4.320 -0.000 0.000 0.305 1229 A C -0.740 176.670 177.584 -0.290 0.000 0.991 1229 A CA -0.494 51.259 52.037 -0.474 0.000 0.784 1229 A CB -0.095 18.614 19.000 -0.484 0.000 1.189 1229 A HN 0.675 nan 8.150 nan 0.000 0.390 1230 N N 3.016 121.593 118.700 -0.206 0.000 2.608 1230 N HA -0.225 4.515 4.740 -0.000 0.000 0.273 1230 N C 0.575 175.939 175.510 -0.243 0.000 1.133 1230 N CA 0.886 53.846 53.050 -0.150 0.000 0.726 1230 N CB -1.014 37.447 38.487 -0.044 0.000 0.890 1230 N HN 0.927 nan 8.380 nan 0.000 0.548 1231 N N -2.391 116.086 118.700 -0.371 0.000 2.932 1231 N HA -0.255 4.485 4.740 -0.000 0.000 0.227 1231 N C -0.203 174.840 175.510 -0.778 0.000 0.854 1231 N CA 1.692 54.311 53.050 -0.718 0.000 1.064 1231 N CB -0.684 37.181 38.487 -1.037 0.000 1.029 1231 N HN 0.610 nan 8.380 nan 0.000 0.619 1232 I N 0.892 121.248 120.570 -0.357 0.000 2.396 1232 I HA 0.173 4.343 4.170 -0.000 0.000 0.292 1232 I C -0.173 175.880 176.117 -0.106 0.000 0.999 1232 I CA -0.500 60.730 61.300 -0.117 0.000 1.310 1232 I CB 0.816 38.895 38.000 0.131 0.000 1.404 1232 I HN 0.024 nan 8.210 nan 0.000 0.496 1233 Y N 7.261 127.464 120.300 -0.161 0.000 2.331 1233 Y HA 0.553 5.103 4.550 -0.000 0.000 0.334 1233 Y C -1.492 174.364 175.900 -0.072 0.000 0.960 1233 Y CA -0.863 57.136 58.100 -0.169 0.000 1.130 1233 Y CB 1.120 39.469 38.460 -0.185 0.000 1.164 1233 Y HN 0.327 nan 8.280 nan 0.000 0.458 1234 L N 5.541 126.519 121.223 -0.409 0.000 2.381 1234 L HA 0.921 5.261 4.340 -0.000 0.000 0.274 1234 L C -0.982 175.672 176.870 -0.360 0.000 0.988 1234 L CA -0.763 53.964 54.840 -0.189 0.000 0.824 1234 L CB 1.482 43.523 42.059 -0.031 0.000 1.263 1234 L HN 0.776 nan 8.230 nan 0.000 0.410 1235 A N 2.663 125.434 122.820 -0.082 0.000 2.597 1235 A HA 1.003 5.323 4.320 -0.000 0.000 0.292 1235 A C -1.755 175.855 177.584 0.044 0.000 1.057 1235 A CA 0.014 52.025 52.037 -0.044 0.000 0.674 1235 A CB 1.621 20.615 19.000 -0.010 0.000 1.278 1235 A HN 1.111 nan 8.150 nan 0.000 0.416 1236 A N 0.695 123.551 122.820 0.059 0.000 2.574 1236 A HA 0.846 5.166 4.320 -0.000 0.000 0.297 1236 A C -1.318 176.321 177.584 0.091 0.000 1.062 1236 A CA -0.379 51.669 52.037 0.019 0.000 0.686 1236 A CB 1.960 21.014 19.000 0.090 0.000 1.285 1236 A HN 1.400 nan 8.150 nan 0.000 0.403 1237 Q N 1.081 120.880 119.800 -0.002 0.000 2.295 1237 Q HA 0.492 4.832 4.340 -0.000 0.000 0.268 1237 Q C -2.621 173.429 176.000 0.083 0.000 1.010 1237 Q CA -0.406 55.444 55.803 0.079 0.000 0.856 1237 Q CB 2.001 30.764 28.738 0.041 0.000 1.349 1237 Q HN 1.078 nan 8.270 nan 0.000 0.412 1238 Y N 2.064 122.424 120.300 0.100 0.000 2.396 1238 Y HA 0.613 5.163 4.550 -0.000 0.000 0.332 1238 Y C -1.628 174.363 175.900 0.152 0.000 1.034 1238 Y CA -0.175 58.038 58.100 0.189 0.000 1.057 1238 Y CB 2.069 40.727 38.460 0.331 0.000 1.220 1238 Y HN 0.623 nan 8.280 nan 0.000 0.440 1239 T N 5.609 119.687 114.554 -0.793 0.000 3.097 1239 T HA 0.489 4.839 4.350 -0.000 0.000 0.332 1239 T C -2.011 172.393 174.700 -0.494 0.000 1.269 1239 T CA -0.711 61.128 62.100 -0.434 0.000 1.076 1239 T CB 1.397 70.176 68.868 -0.148 0.000 1.209 1239 T HN 0.794 nan 8.240 nan 0.000 0.474 1240 Q N 2.107 121.766 119.800 -0.236 0.000 2.365 1240 Q HA 0.731 5.071 4.340 -0.000 0.000 0.269 1240 Q C -0.600 175.394 176.000 -0.009 0.000 1.061 1240 Q CA -1.116 54.603 55.803 -0.139 0.000 0.816 1240 Q CB 2.021 30.699 28.738 -0.099 0.000 1.325 1240 Q HN 0.767 nan 8.270 nan 0.000 0.446 1241 T N -1.085 113.380 114.554 -0.149 0.000 2.932 1241 T HA 0.629 4.979 4.350 -0.000 0.000 0.289 1241 T C -1.072 173.426 174.700 -0.336 0.000 1.039 1241 T CA -0.594 61.453 62.100 -0.089 0.000 1.024 1241 T CB 0.846 69.681 68.868 -0.056 0.000 1.090 1241 T HN 0.524 nan 8.240 nan 0.000 0.496 1242 Y N 1.157 121.488 120.300 0.052 0.000 2.329 1242 Y HA 0.409 4.959 4.550 -0.000 0.000 0.328 1242 Y C 0.522 176.403 175.900 -0.031 0.000 0.992 1242 Y CA -0.976 57.147 58.100 0.038 0.000 1.151 1242 Y CB 1.349 39.855 38.460 0.076 0.000 1.150 1242 Y HN 0.827 nan 8.280 nan 0.000 0.450 1243 N N 1.437 120.195 118.700 0.096 0.000 2.741 1243 N HA -0.218 4.522 4.740 -0.000 0.000 0.250 1243 N C 0.207 175.690 175.510 -0.044 0.000 1.115 1243 N CA 1.053 54.125 53.050 0.035 0.000 0.724 1243 N CB -1.138 37.362 38.487 0.022 0.000 1.090 1243 N HN 0.771 nan 8.380 nan 0.000 0.558 1244 A N -1.759 121.055 122.820 -0.011 0.000 2.664 1244 A HA 0.219 4.539 4.320 -0.000 0.000 0.222 1244 A C 0.494 178.181 177.584 0.171 0.000 1.320 1244 A CA 0.218 52.275 52.037 0.034 0.000 1.029 1244 A CB 0.566 19.488 19.000 -0.130 0.000 1.318 1244 A HN 0.106 nan 8.150 nan 0.000 0.589 1245 T N 2.369 116.986 114.554 0.105 0.000 2.811 1245 T HA 0.279 4.629 4.350 -0.000 0.000 0.309 1245 T C 0.219 174.967 174.700 0.080 0.000 1.005 1245 T CA -0.329 61.831 62.100 0.099 0.000 0.955 1245 T CB 0.119 69.026 68.868 0.065 0.000 0.970 1245 T HN 0.355 nan 8.240 nan 0.000 0.496 1246 R N 1.962 122.504 120.500 0.071 0.000 2.523 1246 R HA 0.182 4.522 4.340 -0.000 0.000 0.281 1246 R C 0.122 176.413 176.300 -0.015 0.000 0.969 1246 R CA 0.164 56.270 56.100 0.009 0.000 1.093 1246 R CB -0.057 30.222 30.300 -0.034 0.000 0.917 1246 R HN 0.577 nan 8.270 nan 0.000 0.408 1247 V N 2.098 121.984 119.914 -0.047 0.000 2.276 1247 V HA 0.484 4.604 4.120 -0.000 0.000 0.268 1247 V C 0.856 176.846 176.094 -0.174 0.000 1.032 1247 V CA 0.397 62.654 62.300 -0.072 0.000 0.810 1247 V CB 0.819 32.638 31.823 -0.007 0.000 1.060 1247 V HN 0.978 nan 8.190 nan 0.000 0.446 1248 G N 3.597 112.291 108.800 -0.177 0.000 2.527 1248 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.268 1248 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.268 1248 G C 0.889 175.653 174.900 -0.227 0.000 1.175 1248 G CA 0.920 45.890 45.100 -0.217 0.000 0.962 1248 G HN 2.185 nan 8.290 nan 0.000 0.560 1249 S N -0.423 115.094 115.700 -0.304 0.000 2.664 1249 S HA 0.555 5.025 4.470 -0.000 0.000 0.245 1249 S C 1.523 175.694 174.600 -0.714 0.000 1.019 1249 S CA 0.568 58.528 58.200 -0.400 0.000 0.996 1249 S CB 0.401 63.389 63.200 -0.354 0.000 0.878 1249 S HN 0.677 nan 8.310 nan 0.000 0.493 1250 L N 1.670 122.585 121.223 -0.514 0.000 2.591 1250 L HA 0.374 4.714 4.340 -0.000 0.000 0.228 1250 L C 1.449 178.161 176.870 -0.262 0.000 1.133 1250 L CA 0.548 55.082 54.840 -0.511 0.000 0.880 1250 L CB -0.476 41.502 42.059 -0.135 0.000 1.033 1250 L HN 0.748 nan 8.230 nan 0.000 0.450 1251 G N -1.076 107.590 108.800 -0.223 0.000 2.548 1251 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.208 1251 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.208 1251 G C -1.044 173.859 174.900 0.004 0.000 1.308 1251 G CA -0.483 44.584 45.100 -0.056 0.000 0.924 1251 G HN 0.076 nan 8.290 nan 0.000 0.540 1252 W N -0.414 120.927 121.300 0.068 0.000 2.365 1252 W HA 0.760 5.420 4.660 -0.000 0.000 0.410 1252 W C 0.580 177.155 176.519 0.094 0.000 1.634 1252 W CA -0.008 57.390 57.345 0.089 0.000 1.761 1252 W CB 0.878 30.422 29.460 0.140 0.000 1.485 1252 W HN 1.244 nan 8.180 nan 0.000 0.706 1253 A N 0.777 123.649 122.820 0.087 0.000 2.293 1253 A HA 0.338 4.658 4.320 -0.000 0.000 0.312 1253 A C 0.398 178.024 177.584 0.071 0.000 1.309 1253 A CA -0.583 51.506 52.037 0.086 0.000 0.839 1253 A CB -0.103 18.938 19.000 0.069 0.000 1.155 1253 A HN 0.800 nan 8.150 nan 0.000 0.501 1254 N N 1.196 119.949 118.700 0.088 0.000 2.096 1254 N HA -0.191 4.549 4.740 -0.000 0.000 0.195 1254 N C 0.777 176.325 175.510 0.064 0.000 1.017 1254 N CA 1.982 55.087 53.050 0.091 0.000 0.870 1254 N CB 0.029 38.579 38.487 0.104 0.000 1.024 1254 N HN 0.714 nan 8.380 nan 0.000 0.434 1255 K N -0.431 119.964 120.400 -0.008 0.000 2.477 1255 K HA 0.717 5.036 4.320 -0.000 0.000 0.255 1255 K C -2.020 174.507 176.600 -0.122 0.000 0.952 1255 K CA -0.822 55.363 56.287 -0.170 0.000 0.826 1255 K CB 2.020 34.456 32.500 -0.105 0.000 1.331 1255 K HN 0.007 nan 8.250 nan 0.000 0.437 1256 A N 2.749 125.459 122.820 -0.184 0.000 2.577 1256 A HA 0.357 4.677 4.320 -0.000 0.000 0.297 1256 A C -1.884 175.645 177.584 -0.092 0.000 1.060 1256 A CA -0.716 51.273 52.037 -0.081 0.000 0.697 1256 A CB 1.827 20.810 19.000 -0.028 0.000 1.281 1256 A HN 0.667 nan 8.150 nan 0.000 0.402 1257 Q N 1.539 121.331 119.800 -0.013 0.000 2.333 1257 Q HA 0.437 4.777 4.340 -0.000 0.000 0.265 1257 Q C -0.996 175.031 176.000 0.045 0.000 0.989 1257 Q CA -0.719 55.095 55.803 0.017 0.000 0.842 1257 Q CB 1.710 30.569 28.738 0.202 0.000 1.262 1257 Q HN 0.695 nan 8.270 nan 0.000 0.451 1258 N N 2.646 121.302 118.700 -0.074 0.000 2.392 1258 N HA 0.407 5.147 4.740 -0.000 0.000 0.283 1258 N C -1.491 174.067 175.510 0.080 0.000 1.003 1258 N CA -0.256 52.801 53.050 0.011 0.000 0.892 1258 N CB 1.379 39.861 38.487 -0.007 0.000 1.193 1258 N HN 0.414 nan 8.380 nan 0.000 0.487 1259 F N 0.933 120.955 119.950 0.120 0.000 2.532 1259 F HA 0.444 4.971 4.527 -0.000 0.000 0.321 1259 F C -0.625 175.253 175.800 0.129 0.000 1.089 1259 F CA -0.578 57.561 58.000 0.231 0.000 0.926 1259 F CB 1.525 40.724 39.000 0.332 0.000 1.168 1259 F HN 0.348 nan 8.300 nan 0.000 0.459 1260 E N 4.109 123.678 120.200 -1.052 0.000 2.415 1260 E HA 0.570 4.920 4.350 -0.000 0.000 0.302 1260 E C -1.768 174.499 176.600 -0.556 0.000 0.907 1260 E CA -0.721 55.352 56.400 -0.544 0.000 0.798 1260 E CB 1.649 31.209 29.700 -0.232 0.000 1.315 1260 E HN 0.706 nan 8.360 nan 0.000 0.396 1261 A N 2.378 125.031 122.820 -0.279 0.000 2.393 1261 A HA 0.737 5.057 4.320 -0.000 0.000 0.306 1261 A C -1.087 176.527 177.584 0.050 0.000 1.050 1261 A CA -0.552 51.443 52.037 -0.071 0.000 0.724 1261 A CB 1.647 20.701 19.000 0.089 0.000 1.248 1261 A HN 0.296 nan 8.150 nan 0.000 0.424 1262 V N 1.204 121.169 119.914 0.085 0.000 2.628 1262 V HA 0.805 4.925 4.120 -0.000 0.000 0.306 1262 V C 0.153 176.336 176.094 0.149 0.000 1.045 1262 V CA -0.001 62.372 62.300 0.122 0.000 0.905 1262 V CB 1.842 33.753 31.823 0.145 0.000 0.997 1262 V HN 1.417 nan 8.190 nan 0.000 0.436 1263 A N 4.941 127.844 122.820 0.138 0.000 2.356 1263 A HA 0.887 5.207 4.320 -0.000 0.000 0.310 1263 A C -0.853 176.814 177.584 0.138 0.000 1.075 1263 A CA -0.558 51.564 52.037 0.142 0.000 0.746 1263 A CB 1.449 20.515 19.000 0.110 0.000 1.221 1263 A HN 0.789 nan 8.150 nan 0.000 0.443 1264 Q N 0.148 120.042 119.800 0.157 0.000 2.416 1264 Q HA 0.543 4.883 4.340 -0.000 0.000 0.281 1264 Q C -1.970 174.089 176.000 0.098 0.000 1.067 1264 Q CA -0.639 55.230 55.803 0.110 0.000 0.809 1264 Q CB 2.970 31.738 28.738 0.050 0.000 1.418 1264 Q HN 0.756 nan 8.270 nan 0.000 0.411 1265 Y N 0.924 121.156 120.300 -0.113 0.000 2.406 1265 Y HA 0.352 4.902 4.550 -0.000 0.000 0.340 1265 Y C -1.264 174.421 175.900 -0.359 0.000 0.975 1265 Y CA -0.744 57.206 58.100 -0.250 0.000 1.056 1265 Y CB 2.072 40.313 38.460 -0.365 0.000 1.210 1265 Y HN 0.577 nan 8.280 nan 0.000 0.448 1266 Q N 5.581 124.905 119.800 -0.794 0.000 2.398 1266 Q HA 0.379 4.719 4.340 -0.000 0.000 0.251 1266 Q C -1.979 173.771 176.000 -0.417 0.000 0.999 1266 Q CA -0.241 55.283 55.803 -0.466 0.000 0.874 1266 Q CB 0.163 28.677 28.738 -0.372 0.000 1.215 1266 Q HN 0.550 nan 8.270 nan 0.000 0.470 1267 F N 2.130 122.038 119.950 -0.071 0.000 2.410 1267 F HA 0.111 4.638 4.527 -0.000 0.000 0.334 1267 F C 1.451 177.157 175.800 -0.158 0.000 1.134 1267 F CA -0.080 57.889 58.000 -0.053 0.000 1.227 1267 F CB 0.798 39.574 39.000 -0.373 0.000 1.194 1267 F HN 0.666 nan 8.300 nan 0.000 0.571 1268 D N 1.791 122.370 120.400 0.299 0.000 2.117 1268 D HA -0.256 4.384 4.640 -0.000 0.000 0.197 1268 D C 1.820 178.243 176.300 0.205 0.000 0.987 1268 D CA 1.779 55.912 54.000 0.221 0.000 0.829 1268 D CB -0.698 40.284 40.800 0.304 0.000 0.961 1268 D HN 0.548 nan 8.370 nan 0.000 0.460 1269 F N -0.279 119.769 119.950 0.163 0.000 2.416 1269 F HA 0.470 4.997 4.527 -0.000 0.000 0.296 1269 F C 1.832 177.670 175.800 0.065 0.000 1.099 1269 F CA 0.572 58.641 58.000 0.115 0.000 1.427 1269 F CB -0.107 38.966 39.000 0.122 0.000 1.079 1269 F HN 0.164 nan 8.300 nan 0.000 0.536 1270 G N 0.234 108.750 108.800 -0.474 0.000 3.655 1270 G HA2 0.026 3.986 3.960 -0.000 0.000 0.219 1270 G HA3 0.026 3.986 3.960 -0.000 0.000 0.219 1270 G C -0.566 174.041 174.900 -0.488 0.000 0.933 1270 G CA -0.085 44.704 45.100 -0.519 0.000 0.856 1270 G HN 0.383 nan 8.290 nan 0.000 0.523 1271 L N 1.362 122.285 121.223 -0.500 0.000 2.379 1271 L HA 0.942 5.282 4.340 -0.000 0.000 0.269 1271 L C 0.154 177.061 176.870 0.062 0.000 1.084 1271 L CA -0.800 53.991 54.840 -0.081 0.000 0.802 1271 L CB 1.363 43.468 42.059 0.077 0.000 1.175 1271 L HN 0.239 nan 8.230 nan 0.000 0.448 1272 R N 4.217 124.783 120.500 0.109 0.000 3.039 1272 R HA 0.436 4.776 4.340 -0.000 0.000 0.264 1272 R C -2.927 173.437 176.300 0.107 0.000 1.708 1272 R CA -1.180 54.974 56.100 0.092 0.000 1.134 1272 R CB 1.044 31.386 30.300 0.070 0.000 1.386 1272 R HN 0.416 nan 8.270 nan 0.000 0.477 1273 P HA 0.131 nan 4.420 nan 0.000 0.275 1273 P C -0.869 176.499 177.300 0.114 0.000 1.228 1273 P CA -0.150 63.042 63.100 0.154 0.000 0.786 1273 P CB 1.612 33.432 31.700 0.200 0.000 0.927 1274 S N 2.886 118.655 115.700 0.115 0.000 2.568 1274 S HA 0.749 5.219 4.470 -0.000 0.000 0.293 1274 S C -1.145 173.528 174.600 0.122 0.000 1.089 1274 S CA -0.766 57.497 58.200 0.104 0.000 0.945 1274 S CB 1.210 64.457 63.200 0.079 0.000 1.077 1274 S HN 0.456 nan 8.310 nan 0.000 0.485 1275 L N 1.744 123.037 121.223 0.118 0.000 2.431 1275 L HA 0.884 5.224 4.340 -0.000 0.000 0.266 1275 L C -1.201 175.742 176.870 0.122 0.000 0.978 1275 L CA -0.365 54.548 54.840 0.122 0.000 0.822 1275 L CB 1.432 43.559 42.059 0.113 0.000 1.310 1275 L HN 1.232 nan 8.230 nan 0.000 0.409 1276 A N 3.985 126.881 122.820 0.127 0.000 2.604 1276 A HA 0.626 4.946 4.320 -0.000 0.000 0.295 1276 A C -2.541 175.118 177.584 0.126 0.000 1.067 1276 A CA -0.444 51.662 52.037 0.116 0.000 0.683 1276 A CB 1.579 20.629 19.000 0.083 0.000 1.281 1276 A HN 0.741 nan 8.150 nan 0.000 0.407 1277 Y N 1.652 121.934 120.300 -0.031 0.000 2.499 1277 Y HA 0.804 5.354 4.550 -0.000 0.000 0.347 1277 Y C -1.281 174.519 175.900 -0.168 0.000 0.987 1277 Y CA -1.005 57.053 58.100 -0.069 0.000 1.044 1277 Y CB 1.575 40.078 38.460 0.070 0.000 1.245 1277 Y HN 0.676 nan 8.280 nan 0.000 0.461 1278 L N 5.484 126.044 121.223 -1.106 0.000 2.505 1278 L HA 0.483 4.823 4.340 -0.000 0.000 0.259 1278 L C -1.298 175.000 176.870 -0.953 0.000 0.952 1278 L CA -0.807 53.543 54.840 -0.816 0.000 0.840 1278 L CB 2.078 43.661 42.059 -0.794 0.000 1.358 1278 L HN 0.836 nan 8.230 nan 0.000 0.409 1279 Q N 1.145 120.726 119.800 -0.365 0.000 2.648 1279 Q HA 0.713 5.053 4.340 -0.000 0.000 0.300 1279 Q C -1.700 174.307 176.000 0.011 0.000 0.954 1279 Q CA -0.714 54.987 55.803 -0.170 0.000 0.757 1279 Q CB 2.627 31.342 28.738 -0.039 0.000 1.482 1279 Q HN 0.510 nan 8.270 nan 0.000 0.437 1280 S N 0.692 116.412 115.700 0.034 0.000 2.750 1280 S HA 0.377 4.847 4.470 -0.000 0.000 0.276 1280 S C -1.690 172.946 174.600 0.060 0.000 1.165 1280 S CA -0.639 57.593 58.200 0.054 0.000 1.047 1280 S CB 1.066 64.288 63.200 0.036 0.000 1.056 1280 S HN 0.465 nan 8.310 nan 0.000 0.481 1281 K N 3.439 123.880 120.400 0.069 0.000 2.281 1281 K HA 0.448 4.768 4.320 -0.000 0.000 0.272 1281 K C 0.338 176.954 176.600 0.027 0.000 1.048 1281 K CA -0.434 55.883 56.287 0.050 0.000 0.898 1281 K CB 0.817 33.358 32.500 0.069 0.000 1.128 1281 K HN 0.821 nan 8.250 nan 0.000 0.460 1282 G N 4.428 113.235 108.800 0.012 0.000 2.358 1282 G HA2 0.145 4.105 3.960 -0.000 0.000 0.273 1282 G HA3 0.145 4.105 3.960 -0.000 0.000 0.273 1282 G C -0.174 174.725 174.900 -0.001 0.000 1.215 1282 G CA -0.279 44.830 45.100 0.014 0.000 0.910 1282 G HN 0.331 nan 8.290 nan 0.000 0.467 1283 K N 1.449 121.852 120.400 0.005 0.000 2.139 1283 K HA 0.238 4.558 4.320 -0.000 0.000 0.243 1283 K C 0.610 177.228 176.600 0.030 0.000 0.983 1283 K CA -1.375 54.918 56.287 0.010 0.000 0.890 1283 K CB 0.856 33.360 32.500 0.007 0.000 1.090 1283 K HN 0.556 nan 8.250 nan 0.000 0.445 1284 N N 1.335 120.057 118.700 0.036 0.000 2.770 1284 N HA -0.220 4.520 4.740 -0.000 0.000 0.283 1284 N C -0.662 174.898 175.510 0.082 0.000 1.009 1284 N CA 0.369 53.451 53.050 0.054 0.000 0.828 1284 N CB -0.847 37.674 38.487 0.057 0.000 0.939 1284 N HN 0.439 nan 8.380 nan 0.000 0.580 1285 L N -0.026 121.262 121.223 0.108 0.000 2.479 1285 L HA 0.368 4.708 4.340 -0.000 0.000 0.248 1285 L C 2.021 179.001 176.870 0.184 0.000 1.205 1285 L CA -0.157 54.788 54.840 0.176 0.000 0.817 1285 L CB -0.086 42.139 42.059 0.276 0.000 1.162 1285 L HN 0.452 nan 8.230 nan 0.000 0.486 1286 G N -0.820 108.111 108.800 0.218 0.000 2.468 1286 G HA2 0.076 4.036 3.960 -0.000 0.000 0.264 1286 G HA3 0.076 4.036 3.960 -0.000 0.000 0.264 1286 G C 0.299 175.273 174.900 0.124 0.000 1.460 1286 G CA -0.389 44.811 45.100 0.167 0.000 1.060 1286 G HN 0.743 nan 8.290 nan 0.000 0.543 1287 R N -0.576 119.931 120.500 0.013 0.000 3.322 1287 R HA -0.211 4.129 4.340 -0.000 0.000 0.253 1287 R C 1.031 177.062 176.300 -0.448 0.000 0.987 1287 R CA 1.576 57.594 56.100 -0.137 0.000 0.666 1287 R CB -1.589 28.699 30.300 -0.019 0.000 1.072 1287 R HN 2.456 nan 8.270 nan 0.000 0.447 1288 G N -0.734 107.907 108.800 -0.264 0.000 2.603 1288 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.245 1288 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.245 1288 G C 0.311 175.122 174.900 -0.149 0.000 1.195 1288 G CA 0.701 45.642 45.100 -0.265 0.000 0.953 1288 G HN 0.389 nan 8.290 nan 0.000 0.566 1289 Y N -0.280 120.059 120.300 0.065 0.000 2.703 1289 Y HA -0.272 4.278 4.550 -0.000 0.000 0.485 1289 Y C 2.034 177.887 175.900 -0.079 0.000 1.040 1289 Y CA 2.875 60.987 58.100 0.020 0.000 3.075 1289 Y CB -1.975 36.574 38.460 0.148 0.000 0.957 1289 Y HN 1.660 nan 8.280 nan 0.000 0.576 1290 D N -2.011 118.473 120.400 0.140 0.000 4.641 1290 D HA -0.165 4.475 4.640 -0.000 0.000 0.133 1290 D C -0.493 175.809 176.300 0.003 0.000 0.732 1290 D CA 1.486 55.514 54.000 0.046 0.000 1.054 1290 D CB -1.392 39.416 40.800 0.013 0.000 0.615 1290 D HN 0.416 nan 8.370 nan 0.000 0.586 1291 D N 1.443 121.823 120.400 -0.034 0.000 2.181 1291 D HA 0.702 5.342 4.640 -0.000 0.000 0.248 1291 D C -0.463 175.752 176.300 -0.142 0.000 1.020 1291 D CA 0.267 54.233 54.000 -0.056 0.000 0.891 1291 D CB 1.697 42.481 40.800 -0.027 0.000 1.187 1291 D HN 0.315 nan 8.370 nan 0.000 0.443 1292 E N 0.397 120.482 120.200 -0.191 0.000 2.935 1292 E HA 0.146 4.496 4.350 -0.000 0.000 0.321 1292 E C -1.990 174.476 176.600 -0.223 0.000 1.070 1292 E CA -0.517 55.664 56.400 -0.366 0.000 0.882 1292 E CB 0.869 30.002 29.700 -0.945 0.000 1.224 1292 E HN 0.055 nan 8.360 nan 0.000 0.445 1293 D N 3.980 124.310 120.400 -0.118 0.000 2.348 1293 D HA 0.247 4.887 4.640 -0.000 0.000 0.253 1293 D C 0.964 177.333 176.300 0.116 0.000 1.161 1293 D CA 0.089 54.097 54.000 0.013 0.000 0.876 1293 D CB 0.902 41.720 40.800 0.030 0.000 1.160 1293 D HN 0.460 nan 8.370 nan 0.000 0.459 1294 I N 1.623 122.266 120.570 0.123 0.000 3.228 1294 I HA 0.113 4.283 4.170 -0.000 0.000 0.279 1294 I C 0.333 176.508 176.117 0.096 0.000 1.221 1294 I CA 0.256 61.650 61.300 0.156 0.000 1.458 1294 I CB 0.263 38.325 38.000 0.104 0.000 1.105 1294 I HN 0.157 nan 8.210 nan 0.000 0.445 1295 L N 0.675 121.945 121.223 0.078 0.000 2.703 1295 L HA 0.371 4.711 4.340 -0.000 0.000 0.257 1295 L C -1.378 175.515 176.870 0.039 0.000 0.923 1295 L CA -0.419 54.468 54.840 0.078 0.000 0.936 1295 L CB 1.580 43.684 42.059 0.076 0.000 1.482 1295 L HN 0.006 nan 8.230 nan 0.000 0.432 1296 K N 3.949 124.385 120.400 0.061 0.000 2.606 1296 K HA 0.637 4.957 4.320 -0.000 0.000 0.259 1296 K C -2.226 174.396 176.600 0.036 0.000 1.001 1296 K CA -0.493 55.772 56.287 -0.036 0.000 0.881 1296 K CB 1.045 33.571 32.500 0.043 0.000 1.288 1296 K HN 0.639 nan 8.250 nan 0.000 0.452 1297 Y N -0.338 119.789 120.300 -0.289 0.000 2.573 1297 Y HA 0.511 5.061 4.550 -0.000 0.000 0.328 1297 Y C -1.950 173.828 175.900 -0.204 0.000 1.170 1297 Y CA -1.338 56.637 58.100 -0.208 0.000 1.078 1297 Y CB 0.849 39.177 38.460 -0.221 0.000 1.341 1297 Y HN 0.018 nan 8.280 nan 0.000 0.459 1298 V N 3.264 123.250 119.914 0.119 0.000 2.439 1298 V HA 0.259 4.379 4.120 -0.000 0.000 0.282 1298 V C -0.557 175.613 176.094 0.127 0.000 1.039 1298 V CA -0.222 62.150 62.300 0.120 0.000 0.913 1298 V CB 1.328 33.236 31.823 0.141 0.000 0.983 1298 V HN 0.809 nan 8.190 nan 0.000 0.460 1299 D N 3.800 124.283 120.400 0.137 0.000 2.198 1299 D HA 0.502 5.142 4.640 -0.000 0.000 0.245 1299 D C -1.046 175.332 176.300 0.131 0.000 1.079 1299 D CA 0.000 54.100 54.000 0.166 0.000 0.854 1299 D CB 1.964 42.933 40.800 0.283 0.000 1.148 1299 D HN 0.261 nan 8.370 nan 0.000 0.456 1300 V N 2.364 122.358 119.914 0.133 0.000 2.760 1300 V HA 0.881 5.001 4.120 -0.000 0.000 0.309 1300 V C 0.371 176.623 176.094 0.263 0.000 1.077 1300 V CA -0.337 62.076 62.300 0.189 0.000 0.910 1300 V CB 1.779 33.732 31.823 0.217 0.000 1.008 1300 V HN 0.773 nan 8.190 nan 0.000 0.424 1301 G N 2.852 111.788 108.800 0.226 0.000 2.387 1301 G HA2 0.821 4.781 3.960 -0.000 0.000 0.294 1301 G HA3 0.821 4.781 3.960 -0.000 0.000 0.294 1301 G C -1.517 173.491 174.900 0.180 0.000 1.509 1301 G CA 0.179 45.419 45.100 0.233 0.000 0.806 1301 G HN 1.332 nan 8.290 nan 0.000 0.546 1302 A N -0.527 122.397 122.820 0.174 0.000 2.606 1302 A HA 0.999 5.319 4.320 -0.000 0.000 0.293 1302 A C -0.315 177.350 177.584 0.135 0.000 1.082 1302 A CA 0.161 52.281 52.037 0.138 0.000 0.685 1302 A CB 1.857 20.938 19.000 0.135 0.000 1.284 1302 A HN 2.178 nan 8.150 nan 0.000 0.408 1303 T N -0.987 113.604 114.554 0.062 0.000 2.907 1303 T HA 0.670 5.020 4.350 -0.000 0.000 0.292 1303 T C -1.546 173.043 174.700 -0.185 0.000 1.043 1303 T CA -0.427 61.658 62.100 -0.025 0.000 1.003 1303 T CB 1.436 70.234 68.868 -0.117 0.000 1.084 1303 T HN 1.428 nan 8.240 nan 0.000 0.483 1304 Y N 2.893 122.911 120.300 -0.470 0.000 2.338 1304 Y HA 0.590 5.140 4.550 -0.000 0.000 0.333 1304 Y C -1.909 173.502 175.900 -0.816 0.000 0.968 1304 Y CA -1.394 56.383 58.100 -0.539 0.000 1.123 1304 Y CB 1.254 39.443 38.460 -0.451 0.000 1.165 1304 Y HN 0.733 nan 8.280 nan 0.000 0.452 1305 Y N 7.593 127.281 120.300 -1.020 0.000 2.535 1305 Y HA 0.193 4.743 4.550 -0.000 0.000 0.349 1305 Y C 0.447 175.852 175.900 -0.825 0.000 0.992 1305 Y CA -0.344 57.328 58.100 -0.713 0.000 1.248 1305 Y CB 0.086 38.321 38.460 -0.375 0.000 1.124 1305 Y HN 0.707 nan 8.280 nan 0.000 0.520 1306 F N 1.150 121.019 119.950 -0.135 0.000 2.095 1306 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 1306 F C 1.001 176.823 175.800 0.035 0.000 1.104 1306 F CA 1.332 59.372 58.000 0.067 0.000 1.232 1306 F CB -0.281 38.833 39.000 0.189 0.000 0.987 1306 F HN 0.583 nan 8.300 nan 0.000 0.475 1307 N N -1.066 117.756 118.700 0.203 0.000 3.441 1307 N HA 0.136 4.876 4.740 -0.000 0.000 0.313 1307 N C -1.265 174.291 175.510 0.076 0.000 1.526 1307 N CA -1.071 52.044 53.050 0.110 0.000 0.871 1307 N CB 0.281 38.843 38.487 0.125 0.000 1.779 1307 N HN -0.092 nan 8.380 nan 0.000 0.529 1308 K N -0.727 119.680 120.400 0.011 0.000 2.758 1308 K HA 0.515 4.835 4.320 -0.000 0.000 0.250 1308 K C -0.354 176.224 176.600 -0.038 0.000 1.268 1308 K CA 0.008 56.269 56.287 -0.044 0.000 1.228 1308 K CB -0.446 31.994 32.500 -0.099 0.000 1.715 1308 K HN 0.527 nan 8.250 nan 0.000 0.334 1309 N N -0.103 118.592 118.700 -0.009 0.000 2.004 1309 N HA 0.073 4.813 4.740 -0.000 0.000 0.282 1309 N C -1.384 174.053 175.510 -0.121 0.000 1.294 1309 N CA 0.185 53.174 53.050 -0.102 0.000 0.738 1309 N CB 0.356 38.807 38.487 -0.060 0.000 1.528 1309 N HN 0.533 nan 8.380 nan 0.000 0.642 1310 M N 0.705 120.367 119.600 0.102 0.000 2.562 1310 M HA 0.542 5.022 4.480 -0.000 0.000 0.281 1310 M C -1.972 174.601 176.300 0.454 0.000 1.195 1310 M CA -0.053 55.404 55.300 0.260 0.000 0.888 1310 M CB 1.910 34.699 32.600 0.315 0.000 1.731 1310 M HN 0.139 nan 8.290 nan 0.000 0.493 1311 S N 0.359 116.380 115.700 0.536 0.000 2.686 1311 S HA 0.769 5.239 4.470 -0.000 0.000 0.273 1311 S C -1.225 173.594 174.600 0.365 0.000 1.060 1311 S CA -0.494 57.911 58.200 0.342 0.000 0.845 1311 S CB 0.906 64.092 63.200 -0.023 0.000 1.086 1311 S HN 1.018 nan 8.310 nan 0.000 0.461 1312 T N 0.251 114.926 114.554 0.201 0.000 2.942 1312 T HA 0.893 5.243 4.350 -0.000 0.000 0.289 1312 T C -0.996 173.763 174.700 0.098 0.000 1.044 1312 T CA -0.768 61.419 62.100 0.144 0.000 1.023 1312 T CB 1.109 70.083 68.868 0.176 0.000 1.123 1312 T HN 1.526 nan 8.240 nan 0.000 0.512 1313 Y N -1.888 118.445 120.300 0.055 0.000 2.609 1313 Y HA 0.750 5.300 4.550 -0.000 0.000 0.336 1313 Y C -1.664 174.282 175.900 0.077 0.000 1.129 1313 Y CA -1.707 56.412 58.100 0.032 0.000 1.040 1313 Y CB 0.868 39.334 38.460 0.010 0.000 1.310 1313 Y HN 0.535 nan 8.280 nan 0.000 0.460 1314 V N 1.361 121.439 119.914 0.274 0.000 2.656 1314 V HA 0.658 4.778 4.120 -0.000 0.000 0.307 1314 V C -1.323 174.956 176.094 0.310 0.000 1.051 1314 V CA -0.464 61.975 62.300 0.231 0.000 0.893 1314 V CB 1.618 33.526 31.823 0.142 0.000 0.999 1314 V HN 0.840 nan 8.190 nan 0.000 0.426 1315 D N 1.623 122.235 120.400 0.353 0.000 2.859 1315 D HA 0.535 5.175 4.640 -0.000 0.000 0.223 1315 D C -2.029 174.618 176.300 0.578 0.000 1.218 1315 D CA -0.272 53.993 54.000 0.442 0.000 0.850 1315 D CB 2.566 43.591 40.800 0.375 0.000 1.656 1315 D HN 0.555 nan 8.370 nan 0.000 0.484 1316 Y N 2.275 122.757 120.300 0.305 0.000 2.359 1316 Y HA 0.278 4.828 4.550 -0.000 0.000 0.336 1316 Y C -1.243 174.632 175.900 -0.041 0.000 1.098 1316 Y CA -1.015 57.152 58.100 0.111 0.000 1.272 1316 Y CB 0.872 39.387 38.460 0.093 0.000 1.112 1316 Y HN 0.234 nan 8.280 nan 0.000 0.481 1317 K N 6.831 126.946 120.400 -0.474 0.000 2.310 1317 K HA 0.497 4.817 4.320 -0.000 0.000 0.290 1317 K C -1.162 175.035 176.600 -0.672 0.000 1.077 1317 K CA -0.147 55.713 56.287 -0.712 0.000 0.922 1317 K CB 0.225 31.954 32.500 -1.284 0.000 1.057 1317 K HN 0.715 nan 8.250 nan 0.000 0.479 1318 I N 4.503 124.726 120.570 -0.578 0.000 2.291 1318 I HA 0.068 4.238 4.170 -0.000 0.000 0.292 1318 I C -0.022 175.983 176.117 -0.187 0.000 1.064 1318 I CA -0.615 60.408 61.300 -0.461 0.000 1.269 1318 I CB 0.708 38.477 38.000 -0.383 0.000 1.418 1318 I HN 0.615 nan 8.210 nan 0.000 0.485 1319 N N 7.528 126.126 118.700 -0.170 0.000 2.500 1319 N HA 0.217 4.957 4.740 -0.000 0.000 0.236 1319 N C 0.267 175.767 175.510 -0.016 0.000 1.022 1319 N CA -0.180 52.805 53.050 -0.110 0.000 0.935 1319 N CB 0.894 39.268 38.487 -0.188 0.000 1.147 1319 N HN 0.583 nan 8.380 nan 0.000 0.512 1320 L N 3.192 124.444 121.223 0.049 0.000 2.693 1320 L HA 0.161 4.501 4.340 -0.000 0.000 0.242 1320 L C 0.378 177.280 176.870 0.053 0.000 1.157 1320 L CA 0.190 55.064 54.840 0.057 0.000 0.929 1320 L CB -0.226 41.892 42.059 0.099 0.000 1.103 1320 L HN 0.376 nan 8.230 nan 0.000 0.430 1321 L N -0.447 120.801 121.223 0.041 0.000 2.357 1321 L HA 0.279 4.619 4.340 -0.000 0.000 0.273 1321 L C -0.177 176.716 176.870 0.039 0.000 1.080 1321 L CA -0.720 54.148 54.840 0.046 0.000 0.803 1321 L CB 1.016 43.104 42.059 0.048 0.000 1.174 1321 L HN -0.010 nan 8.230 nan 0.000 0.443 1322 D N 1.020 121.448 120.400 0.048 0.000 2.302 1322 D HA 0.094 4.734 4.640 -0.000 0.000 0.248 1322 D C -0.423 175.912 176.300 0.058 0.000 1.094 1322 D CA -0.330 53.698 54.000 0.047 0.000 0.897 1322 D CB 0.963 41.792 40.800 0.047 0.000 1.200 1322 D HN 0.324 nan 8.370 nan 0.000 0.429 1323 D N 1.612 122.041 120.400 0.048 0.000 2.583 1323 D HA 0.034 4.674 4.640 -0.000 0.000 0.232 1323 D C 0.138 176.485 176.300 0.078 0.000 1.128 1323 D CA 0.724 54.756 54.000 0.054 0.000 0.859 1323 D CB 0.286 41.111 40.800 0.041 0.000 1.169 1323 D HN 0.394 nan 8.370 nan 0.000 0.481 1324 N N 0.129 118.890 118.700 0.102 0.000 3.227 1324 N HA 0.153 4.893 4.740 -0.000 0.000 0.241 1324 N C 0.463 176.070 175.510 0.163 0.000 1.480 1324 N CA -0.612 52.518 53.050 0.133 0.000 0.886 1324 N CB 0.435 39.023 38.487 0.168 0.000 1.406 1324 N HN 0.244 nan 8.380 nan 0.000 0.514 1325 Q N 0.000 119.915 119.800 0.191 0.000 2.364 1325 Q HA -0.080 4.260 4.340 -0.000 0.000 0.209 1325 Q C 1.378 177.526 176.000 0.246 0.000 0.977 1325 Q CA 1.432 57.351 55.803 0.193 0.000 0.885 1325 Q CB -0.798 28.051 28.738 0.186 0.000 0.941 1325 Q HN 0.549 nan 8.270 nan 0.000 0.464 1326 F N 1.957 121.973 119.950 0.110 0.000 2.014 1326 F HA -0.190 4.337 4.527 -0.000 0.000 0.295 1326 F C 2.666 178.378 175.800 -0.147 0.000 1.145 1326 F CA 2.945 60.887 58.000 -0.096 0.000 1.178 1326 F CB -0.644 38.283 39.000 -0.123 0.000 0.972 1326 F HN 0.386 nan 8.300 nan 0.000 0.476 1327 T N -0.910 113.610 114.554 -0.058 0.000 2.588 1327 T HA -0.243 4.107 4.350 -0.000 0.000 0.261 1327 T C 2.125 176.692 174.700 -0.222 0.000 1.069 1327 T CA 1.382 63.361 62.100 -0.203 0.000 1.172 1327 T CB -0.996 67.886 68.868 0.023 0.000 0.863 1327 T HN 0.325 nan 8.240 nan 0.000 0.408 1328 R N 1.488 121.940 120.500 -0.081 0.000 2.312 1328 R HA -0.325 4.015 4.340 -0.000 0.000 0.233 1328 R C 2.060 178.312 176.300 -0.080 0.000 1.097 1328 R CA 2.795 58.865 56.100 -0.050 0.000 0.864 1328 R CB -1.082 29.223 30.300 0.009 0.000 0.987 1328 R HN 0.489 nan 8.270 nan 0.000 0.405 1329 D N -0.694 119.654 120.400 -0.086 0.000 2.160 1329 D HA -0.226 4.414 4.640 -0.000 0.000 0.189 1329 D C 1.709 177.931 176.300 -0.130 0.000 1.003 1329 D CA 2.072 56.036 54.000 -0.059 0.000 0.846 1329 D CB -0.553 40.233 40.800 -0.023 0.000 0.949 1329 D HN 0.566 nan 8.370 nan 0.000 0.446 1330 A N -0.175 122.434 122.820 -0.353 0.000 2.121 1330 A HA 0.225 4.545 4.320 -0.000 0.000 0.218 1330 A C 1.701 179.154 177.584 -0.218 0.000 1.154 1330 A CA 1.522 53.350 52.037 -0.347 0.000 0.679 1330 A CB -0.548 18.113 19.000 -0.564 0.000 0.795 1330 A HN 0.393 nan 8.150 nan 0.000 0.458 1331 G N -0.735 107.966 108.800 -0.167 0.000 2.298 1331 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.287 1331 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.287 1331 G C -0.099 174.726 174.900 -0.126 0.000 1.075 1331 G CA 0.341 45.373 45.100 -0.113 0.000 0.960 1331 G HN 0.486 nan 8.290 nan 0.000 0.502 1332 I N 0.227 120.711 120.570 -0.143 0.000 2.353 1332 I HA 0.191 4.361 4.170 -0.000 0.000 0.293 1332 I C 0.687 176.757 176.117 -0.078 0.000 0.992 1332 I CA -0.920 60.311 61.300 -0.115 0.000 1.268 1332 I CB 1.284 39.213 38.000 -0.119 0.000 1.387 1332 I HN 0.326 nan 8.210 nan 0.000 0.478 1333 N N 3.296 121.953 118.700 -0.072 0.000 2.525 1333 N HA 0.092 4.832 4.740 -0.000 0.000 0.271 1333 N C 0.598 176.068 175.510 -0.067 0.000 1.194 1333 N CA 0.260 53.270 53.050 -0.066 0.000 0.964 1333 N CB 1.017 39.460 38.487 -0.074 0.000 1.126 1333 N HN 0.727 nan 8.380 nan 0.000 0.452 1334 T N -1.702 112.819 114.554 -0.055 0.000 2.980 1334 T HA 0.199 4.549 4.350 -0.000 0.000 0.252 1334 T C -0.003 174.664 174.700 -0.056 0.000 0.962 1334 T CA -0.269 61.807 62.100 -0.039 0.000 0.932 1334 T CB -0.163 68.703 68.868 -0.003 0.000 1.188 1334 T HN 0.372 nan 8.240 nan 0.000 0.500 1335 D N 2.806 123.171 120.400 -0.058 0.000 2.358 1335 D HA 0.253 4.893 4.640 -0.000 0.000 0.244 1335 D C 0.105 176.341 176.300 -0.107 0.000 1.163 1335 D CA -0.255 53.713 54.000 -0.053 0.000 0.945 1335 D CB 0.563 41.348 40.800 -0.025 0.000 1.152 1335 D HN 0.310 nan 8.370 nan 0.000 0.451 1336 N N 0.151 118.803 118.700 -0.081 0.000 2.288 1336 N HA 0.316 5.056 4.740 -0.000 0.000 0.237 1336 N C -0.049 175.393 175.510 -0.112 0.000 1.311 1336 N CA 0.201 53.177 53.050 -0.123 0.000 0.909 1336 N CB 0.845 39.332 38.487 0.000 0.000 1.167 1336 N HN 0.323 nan 8.380 nan 0.000 0.476 1337 I N -0.366 120.116 120.570 -0.148 0.000 2.841 1337 I HA 0.244 4.414 4.170 -0.000 0.000 0.298 1337 I C -0.962 175.215 176.117 0.099 0.000 1.304 1337 I CA -0.888 60.362 61.300 -0.083 0.000 1.019 1337 I CB 2.328 40.152 38.000 -0.293 0.000 1.282 1337 I HN 0.005 nan 8.210 nan 0.000 0.432 1338 V N 3.131 123.183 119.914 0.230 0.000 2.555 1338 V HA 0.856 4.976 4.120 -0.000 0.000 0.302 1338 V C -0.073 176.240 176.094 0.366 0.000 1.038 1338 V CA -0.540 61.963 62.300 0.339 0.000 0.887 1338 V CB 1.633 33.592 31.823 0.228 0.000 0.991 1338 V HN 0.829 nan 8.190 nan 0.000 0.434 1339 A N 4.860 127.903 122.820 0.372 0.000 2.350 1339 A HA 0.909 5.229 4.320 -0.000 0.000 0.324 1339 A C -1.111 176.669 177.584 0.326 0.000 1.118 1339 A CA -0.581 51.646 52.037 0.316 0.000 0.783 1339 A CB 1.305 20.389 19.000 0.141 0.000 1.236 1339 A HN 0.817 nan 8.150 nan 0.000 0.457 1340 L N 1.858 123.263 121.223 0.304 0.000 2.362 1340 L HA 0.764 5.104 4.340 -0.000 0.000 0.275 1340 L C 0.222 177.032 176.870 -0.100 0.000 0.998 1340 L CA -0.281 54.629 54.840 0.116 0.000 0.820 1340 L CB 2.144 44.359 42.059 0.261 0.000 1.270 1340 L HN 0.914 nan 8.230 nan 0.000 0.415 1341 G N 3.551 112.000 108.800 -0.585 0.000 2.696 1341 G HA2 0.594 4.554 3.960 -0.000 0.000 0.295 1341 G HA3 0.594 4.554 3.960 -0.000 0.000 0.295 1341 G C -2.403 172.178 174.900 -0.532 0.000 1.398 1341 G CA -0.448 44.209 45.100 -0.739 0.000 0.920 1341 G HN 0.326 nan 8.290 nan 0.000 0.492 1342 L N 1.568 122.693 121.223 -0.163 0.000 2.381 1342 L HA 0.842 5.182 4.340 -0.000 0.000 0.274 1342 L C -0.945 175.995 176.870 0.117 0.000 0.988 1342 L CA -0.918 53.938 54.840 0.028 0.000 0.824 1342 L CB 1.958 44.050 42.059 0.055 0.000 1.263 1342 L HN 0.388 nan 8.230 nan 0.000 0.410 1343 V N 4.888 124.928 119.914 0.210 0.000 2.789 1343 V HA 0.463 4.583 4.120 -0.000 0.000 0.311 1343 V C -1.426 174.823 176.094 0.259 0.000 1.073 1343 V CA -0.741 61.693 62.300 0.223 0.000 0.921 1343 V CB 1.942 33.920 31.823 0.258 0.000 1.009 1343 V HN 0.698 nan 8.190 nan 0.000 0.426 1344 Y N 4.404 124.771 120.300 0.112 0.000 2.376 1344 Y HA 0.691 5.241 4.550 -0.000 0.000 0.340 1344 Y C -0.377 175.607 175.900 0.140 0.000 0.965 1344 Y CA -0.425 57.752 58.100 0.127 0.000 1.078 1344 Y CB 1.702 40.220 38.460 0.097 0.000 1.193 1344 Y HN 0.686 nan 8.280 nan 0.000 0.452 1345 Q N 6.861 126.380 119.800 -0.468 0.000 2.323 1345 Q HA 0.399 4.738 4.340 -0.000 0.000 0.271 1345 Q C -1.795 173.992 176.000 -0.354 0.000 1.048 1345 Q CA -0.743 54.901 55.803 -0.266 0.000 0.792 1345 Q CB 2.643 31.307 28.738 -0.123 0.000 1.280 1345 Q HN 0.693 nan 8.270 nan 0.000 0.441 1346 F N 0.000 119.862 119.950 -0.147 0.000 2.286 1346 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1346 F CA 0.000 57.986 58.000 -0.023 0.000 1.383 1346 F CB 0.000 39.104 39.000 0.174 0.000 1.145 1346 F HN 0.000 nan 8.300 nan 0.000 0.574