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 1y6f_1_B DATA FIRST_RESID 999 DATA SEQUENCE GSMRICIFMA RGLEGCGVTK FSLEQRDWFI KNGHEVTLVY AKDKSFTRTS DATA SEQUENCE SHDHKSFSIP VILAKEYDKA LKLVNDCDIL IINSVPATSV QEATINNYKK DATA SEQUENCE LLDNIKPSIR VVVYQHDHSV LSLRRNLGLE ETVRRADVIF SHSDNGDFNK DATA SEQUENCE VLMKEWYPET XXXXXXXXEA PTVYNFQPPM DIVKVRSTYW KDVSEINMNI DATA SEQUENCE NRWIGRTTTW KGFYQMFDFH EKFLKPAGKS TVMEGLERSP AFIAIKEKGI DATA SEQUENCE PYEYYGNREI DKMNLAPNQP AQILDCYINS EMLERMSKSG FGYQLSKLNQ DATA SEQUENCE KYLQRSLEYT HLELGACGTI PVFWKSTGEN LKFRVDNTPL TSHDSGIIWF DATA SEQUENCE DENDMESTFE RIKELSSDRA LYDREREKAY EFLYQHQDSS FCFKEQFDII DATA SEQUENCE TK 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 999 G HA2 0.000 nan 3.960 nan 0.000 0.244 999 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 999 G C 0.000 174.964 174.900 0.106 0.000 0.946 999 G CA 0.000 45.153 45.100 0.088 0.000 0.502 1000 S N -0.215 115.472 115.700 -0.023 0.000 2.552 1000 S HA 0.530 5.000 4.470 -0.000 0.000 0.289 1000 S C 0.315 175.000 174.600 0.141 0.000 1.304 1000 S CA 0.455 58.604 58.200 -0.085 0.000 1.063 1000 S CB -0.380 62.748 63.200 -0.120 0.000 0.848 1000 S HN 0.468 nan 8.310 nan 0.000 0.499 1001 M N 3.037 122.865 119.600 0.379 0.000 2.704 1001 M HA 0.479 4.959 4.480 -0.000 0.000 0.284 1001 M C -0.500 175.924 176.300 0.207 0.000 1.275 1001 M CA -0.850 54.625 55.300 0.292 0.000 0.811 1001 M CB 1.998 34.780 32.600 0.304 0.000 1.741 1001 M HN 0.527 nan 8.290 nan 0.000 0.458 1002 R N 0.985 121.532 120.500 0.078 0.000 2.295 1002 R HA 0.711 5.051 4.340 -0.000 0.000 0.324 1002 R C -1.857 174.398 176.300 -0.074 0.000 0.968 1002 R CA -0.427 55.676 56.100 0.004 0.000 0.837 1002 R CB 0.850 31.147 30.300 -0.006 0.000 1.133 1002 R HN 0.485 nan 8.270 nan 0.000 0.450 1003 I N 3.209 123.681 120.570 -0.163 0.000 2.509 1003 I HA 0.299 4.469 4.170 -0.000 0.000 0.293 1003 I C -0.738 175.258 176.117 -0.201 0.000 1.020 1003 I CA -0.645 60.483 61.300 -0.287 0.000 1.088 1003 I CB 2.008 39.565 38.000 -0.738 0.000 1.267 1003 I HN 0.574 nan 8.210 nan 0.000 0.430 1004 C N 7.585 126.799 119.300 -0.142 0.000 2.316 1004 C HA 0.638 5.098 4.460 -0.000 0.000 0.324 1004 C C -0.254 174.733 174.990 -0.005 0.000 1.226 1004 C CA -0.615 58.362 59.018 -0.068 0.000 1.450 1004 C CB -0.789 26.910 27.740 -0.067 0.000 2.123 1004 C HN 0.648 nan 8.230 nan 0.000 0.454 1005 I N 6.394 126.984 120.570 0.034 0.000 2.304 1005 I HA 0.301 4.470 4.170 -0.000 0.000 0.291 1005 I C -0.208 176.060 176.117 0.252 0.000 1.018 1005 I CA 0.041 61.410 61.300 0.116 0.000 1.260 1005 I CB 0.575 38.615 38.000 0.067 0.000 1.390 1005 I HN 0.624 nan 8.210 nan 0.000 0.475 1006 F N 7.489 127.493 119.950 0.090 0.000 2.426 1006 F HA 0.544 5.071 4.527 -0.000 0.000 0.348 1006 F C -0.321 175.557 175.800 0.130 0.000 1.124 1006 F CA -1.022 57.045 58.000 0.110 0.000 1.008 1006 F CB 1.172 40.241 39.000 0.115 0.000 1.139 1006 F HN 0.326 nan 8.300 nan 0.000 0.452 1007 M N 6.868 126.480 119.600 0.020 0.000 2.131 1007 M HA 0.282 4.762 4.480 -0.000 0.000 0.345 1007 M C 0.644 176.695 176.300 -0.414 0.000 1.060 1007 M CA -0.336 54.868 55.300 -0.160 0.000 1.011 1007 M CB 1.561 34.157 32.600 -0.007 0.000 1.328 1007 M HN 0.791 nan 8.290 nan 0.000 0.396 1008 A N 2.199 124.585 122.820 -0.722 0.000 2.066 1008 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 1008 A C 2.090 179.493 177.584 -0.302 0.000 1.157 1008 A CA 1.216 52.839 52.037 -0.690 0.000 0.670 1008 A CB -0.250 18.243 19.000 -0.844 0.000 0.804 1008 A HN 0.822 nan 8.150 nan 0.000 0.453 1009 R N -1.037 119.345 120.500 -0.198 0.000 2.236 1009 R HA 0.263 4.603 4.340 -0.000 0.000 0.208 1009 R C 0.930 177.291 176.300 0.102 0.000 1.036 1009 R CA 0.846 56.915 56.100 -0.051 0.000 1.001 1009 R CB -0.082 30.178 30.300 -0.066 0.000 0.896 1009 R HN 0.672 nan 8.270 nan 0.000 0.464 1010 G N -0.177 108.662 108.800 0.065 0.000 2.362 1010 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.517 1010 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.517 1010 G C -1.506 173.377 174.900 -0.029 0.000 1.256 1010 G CA -0.466 44.784 45.100 0.250 0.000 1.027 1010 G HN 0.127 nan 8.290 nan 0.000 0.491 1011 L N 1.042 122.191 121.223 -0.123 0.000 2.321 1011 L HA 0.528 4.868 4.340 -0.000 0.000 0.272 1011 L C 1.506 178.055 176.870 -0.535 0.000 1.050 1011 L CA -0.387 54.164 54.840 -0.482 0.000 0.893 1011 L CB 0.612 42.091 42.059 -0.966 0.000 1.272 1011 L HN 0.758 nan 8.230 nan 0.000 0.435 1012 E N 1.912 121.626 120.200 -0.811 0.000 2.478 1012 E HA 0.064 4.414 4.350 -0.000 0.000 0.198 1012 E C 1.367 177.757 176.600 -0.350 0.000 1.046 1012 E CA 0.647 56.493 56.400 -0.923 0.000 0.870 1012 E CB -0.155 28.968 29.700 -0.960 0.000 0.818 1012 E HN 0.683 nan 8.360 nan 0.000 0.527 1013 G N -0.926 107.711 108.800 -0.272 0.000 2.155 1013 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.257 1013 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.257 1013 G C 0.581 175.495 174.900 0.023 0.000 0.983 1013 G CA 0.572 45.627 45.100 -0.075 0.000 0.676 1013 G HN 0.425 nan 8.290 nan 0.000 0.528 1014 C N -1.323 117.926 119.300 -0.084 0.000 3.036 1014 C HA 0.778 5.238 4.460 -0.000 0.000 0.227 1014 C C 2.796 177.748 174.990 -0.063 0.000 2.998 1014 C CA 0.670 59.672 59.018 -0.026 0.000 1.926 1014 C CB 0.268 27.978 27.740 -0.050 0.000 3.074 1014 C HN 0.613 nan 8.230 nan 0.000 0.408 1015 G N 0.291 109.089 108.800 -0.003 0.000 2.446 1015 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 1015 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 1015 G C 1.450 176.314 174.900 -0.059 0.000 1.168 1015 G CA 1.597 46.739 45.100 0.071 0.000 0.771 1015 G HN 0.463 nan 8.290 nan 0.000 0.551 1016 V N 0.789 120.602 119.914 -0.169 0.000 2.490 1016 V HA -0.160 3.960 4.120 -0.000 0.000 0.250 1016 V C 3.120 179.075 176.094 -0.231 0.000 1.061 1016 V CA 2.273 64.392 62.300 -0.302 0.000 1.064 1016 V CB -0.687 30.983 31.823 -0.255 0.000 0.670 1016 V HN 0.393 nan 8.190 nan 0.000 0.461 1017 T N -0.601 113.782 114.554 -0.286 0.000 2.812 1017 T HA -0.172 4.178 4.350 -0.000 0.000 0.264 1017 T C 2.004 176.430 174.700 -0.457 0.000 1.042 1017 T CA 1.603 63.483 62.100 -0.366 0.000 1.140 1017 T CB -0.161 68.450 68.868 -0.429 0.000 0.870 1017 T HN 0.306 nan 8.240 nan 0.000 0.445 1018 K N 1.146 121.181 120.400 -0.608 0.000 2.032 1018 K HA -0.064 4.256 4.320 -0.000 0.000 0.209 1018 K C 1.827 178.136 176.600 -0.485 0.000 1.048 1018 K CA 1.356 57.205 56.287 -0.729 0.000 0.927 1018 K CB -0.787 31.193 32.500 -0.867 0.000 0.712 1018 K HN 0.326 nan 8.250 nan 0.000 0.441 1019 F N 0.734 120.446 119.950 -0.397 0.000 2.102 1019 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 1019 F C 2.046 177.803 175.800 -0.071 0.000 1.105 1019 F CA 1.909 59.856 58.000 -0.089 0.000 1.239 1019 F CB -0.619 38.334 39.000 -0.077 0.000 0.991 1019 F HN 0.016 nan 8.300 nan 0.000 0.474 1020 S N 0.694 116.355 115.700 -0.064 0.000 2.359 1020 S HA -0.187 4.283 4.470 -0.000 0.000 0.224 1020 S C 1.867 176.386 174.600 -0.135 0.000 1.035 1020 S CA 1.513 59.649 58.200 -0.107 0.000 1.018 1020 S CB -0.598 62.586 63.200 -0.026 0.000 0.876 1020 S HN 0.241 nan 8.310 nan 0.000 0.448 1021 L N 1.378 122.530 121.223 -0.118 0.000 2.083 1021 L HA -0.014 4.325 4.340 -0.000 0.000 0.209 1021 L C 2.412 179.238 176.870 -0.073 0.000 1.083 1021 L CA 1.602 56.420 54.840 -0.037 0.000 0.752 1021 L CB -0.911 41.136 42.059 -0.020 0.000 0.899 1021 L HN 0.171 nan 8.230 nan 0.000 0.433 1022 E N -0.840 119.292 120.200 -0.112 0.000 2.106 1022 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 1022 E C 2.239 178.787 176.600 -0.086 0.000 0.984 1022 E CA 0.958 57.356 56.400 -0.004 0.000 0.806 1022 E CB -0.044 29.718 29.700 0.103 0.000 0.750 1022 E HN 0.461 nan 8.360 nan 0.000 0.458 1023 Q N 0.048 119.640 119.800 -0.347 0.000 2.050 1023 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 1023 Q C 2.284 178.160 176.000 -0.207 0.000 0.980 1023 Q CA 1.881 57.268 55.803 -0.694 0.000 0.840 1023 Q CB -0.106 28.234 28.738 -0.663 0.000 0.898 1023 Q HN 0.148 nan 8.270 nan 0.000 0.424 1024 R N 0.261 120.705 120.500 -0.094 0.000 2.082 1024 R HA -0.192 4.148 4.340 -0.000 0.000 0.234 1024 R C 1.633 177.919 176.300 -0.023 0.000 1.136 1024 R CA 2.124 58.215 56.100 -0.015 0.000 0.935 1024 R CB -0.323 29.943 30.300 -0.058 0.000 0.842 1024 R HN 0.304 nan 8.270 nan 0.000 0.430 1025 D N -0.349 120.010 120.400 -0.069 0.000 2.133 1025 D HA -0.236 4.404 4.640 -0.000 0.000 0.195 1025 D C 1.511 177.783 176.300 -0.047 0.000 0.997 1025 D CA 1.437 55.399 54.000 -0.063 0.000 0.840 1025 D CB -0.499 40.286 40.800 -0.025 0.000 0.947 1025 D HN 0.429 nan 8.370 nan 0.000 0.452 1026 W N 0.658 121.816 121.300 -0.238 0.000 2.355 1026 W HA -0.183 4.477 4.660 -0.000 0.000 0.309 1026 W C 2.168 178.500 176.519 -0.311 0.000 1.206 1026 W CA 1.256 58.412 57.345 -0.315 0.000 1.284 1026 W CB -0.708 28.399 29.460 -0.589 0.000 1.145 1026 W HN -0.134 nan 8.180 nan 0.000 0.502 1027 F N 0.200 120.072 119.950 -0.130 0.000 2.102 1027 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 1027 F C 2.364 178.041 175.800 -0.205 0.000 1.105 1027 F CA 1.945 59.834 58.000 -0.186 0.000 1.239 1027 F CB -0.829 38.134 39.000 -0.061 0.000 0.991 1027 F HN -0.211 nan 8.300 nan 0.000 0.474 1028 I N 0.124 120.702 120.570 0.013 0.000 2.099 1028 I HA -0.379 3.791 4.170 -0.000 0.000 0.239 1028 I C 2.506 178.519 176.117 -0.175 0.000 1.066 1028 I CA 1.647 62.907 61.300 -0.067 0.000 1.324 1028 I CB -0.589 37.355 38.000 -0.092 0.000 1.037 1028 I HN 0.080 nan 8.210 nan 0.000 0.401 1029 K N 1.170 121.425 120.400 -0.241 0.000 2.173 1029 K HA -0.221 4.098 4.320 -0.000 0.000 0.207 1029 K C 0.877 177.246 176.600 -0.385 0.000 1.046 1029 K CA 1.941 58.054 56.287 -0.289 0.000 0.929 1029 K CB -0.156 32.164 32.500 -0.300 0.000 0.720 1029 K HN 0.301 nan 8.250 nan 0.000 0.453 1030 N N -0.292 118.079 118.700 -0.549 0.000 2.346 1030 N HA 0.132 4.872 4.740 -0.000 0.000 0.225 1030 N C -0.446 174.788 175.510 -0.460 0.000 1.144 1030 N CA 0.633 53.330 53.050 -0.588 0.000 0.837 1030 N CB 1.123 39.009 38.487 -1.002 0.000 1.069 1030 N HN 0.365 nan 8.380 nan 0.000 0.487 1031 G N 0.921 109.521 108.800 -0.334 0.000 2.314 1031 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.292 1031 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.292 1031 G C -0.512 174.155 174.900 -0.388 0.000 1.059 1031 G CA 0.031 44.945 45.100 -0.310 0.000 0.982 1031 G HN 0.455 nan 8.290 nan 0.000 0.505 1032 H N -0.640 118.381 119.070 -0.081 0.000 2.771 1032 H HA 0.539 5.095 4.556 -0.000 0.000 0.367 1032 H C -0.179 175.138 175.328 -0.018 0.000 1.172 1032 H CA -0.677 55.374 56.048 0.004 0.000 1.186 1032 H CB 1.850 31.707 29.762 0.159 0.000 1.790 1032 H HN 0.382 nan 8.280 nan 0.000 0.556 1033 E N 1.040 121.312 120.200 0.120 0.000 2.191 1033 E HA 0.457 4.807 4.350 -0.000 0.000 0.278 1033 E C -1.135 175.458 176.600 -0.012 0.000 0.972 1033 E CA -0.659 55.759 56.400 0.029 0.000 0.804 1033 E CB 1.488 31.196 29.700 0.012 0.000 1.110 1033 E HN 0.156 nan 8.360 nan 0.000 0.394 1034 V N 2.568 122.464 119.914 -0.030 0.000 2.789 1034 V HA 0.421 4.541 4.120 -0.000 0.000 0.311 1034 V C -0.459 175.621 176.094 -0.025 0.000 1.073 1034 V CA -0.778 61.484 62.300 -0.063 0.000 0.921 1034 V CB 2.388 34.172 31.823 -0.065 0.000 1.009 1034 V HN 0.677 nan 8.190 nan 0.000 0.426 1035 T N 4.896 119.437 114.554 -0.022 0.000 2.841 1035 T HA 0.571 4.921 4.350 -0.000 0.000 0.285 1035 T C -1.015 173.725 174.700 0.067 0.000 0.991 1035 T CA -0.243 61.873 62.100 0.027 0.000 0.966 1035 T CB 1.294 70.161 68.868 -0.003 0.000 0.962 1035 T HN 0.445 nan 8.240 nan 0.000 0.438 1036 L N 6.352 127.666 121.223 0.150 0.000 2.276 1036 L HA 0.785 5.125 4.340 -0.000 0.000 0.286 1036 L C -0.544 176.463 176.870 0.228 0.000 1.024 1036 L CA -0.651 54.310 54.840 0.202 0.000 0.826 1036 L CB 0.815 43.051 42.059 0.295 0.000 1.211 1036 L HN 0.495 nan 8.230 nan 0.000 0.422 1037 V N 3.891 123.952 119.914 0.245 0.000 2.735 1037 V HA 0.774 4.894 4.120 -0.000 0.000 0.310 1037 V C -1.388 174.980 176.094 0.456 0.000 1.061 1037 V CA -0.495 61.963 62.300 0.263 0.000 0.913 1037 V CB 1.629 33.508 31.823 0.093 0.000 1.005 1037 V HN 0.792 nan 8.190 nan 0.000 0.428 1038 Y N 2.689 123.131 120.300 0.237 0.000 2.553 1038 Y HA 0.925 5.475 4.550 -0.000 0.000 0.347 1038 Y C -0.100 175.926 175.900 0.211 0.000 1.019 1038 Y CA -1.118 57.096 58.100 0.190 0.000 1.032 1038 Y CB 1.443 39.935 38.460 0.053 0.000 1.284 1038 Y HN 1.063 nan 8.280 nan 0.000 0.466 1039 A N 3.547 126.479 122.820 0.185 0.000 2.438 1039 A HA 0.219 4.539 4.320 -0.000 0.000 0.280 1039 A C 1.091 178.741 177.584 0.110 0.000 1.160 1039 A CA -0.348 51.756 52.037 0.112 0.000 0.821 1039 A CB 0.130 19.200 19.000 0.118 0.000 1.101 1039 A HN 0.957 nan 8.150 nan 0.000 0.515 1040 K N 2.276 122.647 120.400 -0.049 0.000 2.439 1040 K HA -0.117 4.202 4.320 -0.000 0.000 0.197 1040 K C 0.589 177.258 176.600 0.115 0.000 1.041 1040 K CA 1.377 57.701 56.287 0.061 0.000 0.970 1040 K CB -0.133 32.339 32.500 -0.047 0.000 0.773 1040 K HN 0.815 nan 8.250 nan 0.000 0.479 1041 D N 1.221 121.675 120.400 0.090 0.000 2.321 1041 D HA -0.239 4.401 4.640 -0.000 0.000 0.194 1041 D C 0.477 176.815 176.300 0.064 0.000 1.013 1041 D CA 1.680 55.724 54.000 0.074 0.000 0.863 1041 D CB 0.012 40.859 40.800 0.077 0.000 1.011 1041 D HN 0.099 nan 8.370 nan 0.000 0.457 1042 K N 0.679 121.129 120.400 0.084 0.000 2.258 1042 K HA 0.266 4.585 4.320 -0.000 0.000 0.284 1042 K C -0.710 175.869 176.600 -0.036 0.000 1.051 1042 K CA -0.403 55.870 56.287 -0.022 0.000 0.923 1042 K CB 0.876 33.353 32.500 -0.038 0.000 1.046 1042 K HN 0.190 nan 8.250 nan 0.000 0.474 1043 S N 3.019 118.609 115.700 -0.184 0.000 2.616 1043 S HA 0.518 4.987 4.470 -0.000 0.000 0.277 1043 S C -0.551 173.798 174.600 -0.418 0.000 1.234 1043 S CA -0.733 57.405 58.200 -0.103 0.000 1.028 1043 S CB 0.552 63.731 63.200 -0.035 0.000 0.988 1043 S HN 0.376 nan 8.310 nan 0.000 0.522 1044 F N 0.336 120.302 119.950 0.026 0.000 2.529 1044 F HA 0.357 4.884 4.527 -0.000 0.000 0.320 1044 F C 1.485 177.284 175.800 -0.002 0.000 1.118 1044 F CA -1.017 56.985 58.000 0.003 0.000 0.915 1044 F CB 2.009 40.998 39.000 -0.018 0.000 1.161 1044 F HN 0.759 nan 8.300 nan 0.000 0.445 1045 T N -1.323 113.312 114.554 0.134 0.000 3.440 1045 T HA 0.011 4.361 4.350 -0.000 0.000 0.260 1045 T C 1.045 175.788 174.700 0.070 0.000 1.188 1045 T CA 0.766 62.913 62.100 0.078 0.000 1.020 1045 T CB -0.458 68.440 68.868 0.051 0.000 0.963 1045 T HN 0.631 nan 8.240 nan 0.000 0.556 1046 R N -0.920 119.636 120.500 0.093 0.000 2.544 1046 R HA 0.158 4.498 4.340 -0.000 0.000 0.426 1046 R C 1.243 177.552 176.300 0.015 0.000 0.943 1046 R CA 0.013 56.125 56.100 0.020 0.000 1.162 1046 R CB 0.253 30.541 30.300 -0.021 0.000 1.588 1046 R HN 0.230 nan 8.270 nan 0.000 0.563 1047 T N 0.521 115.110 114.554 0.058 0.000 2.778 1047 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 1047 T C 1.761 176.533 174.700 0.120 0.000 1.050 1047 T CA 2.197 64.332 62.100 0.059 0.000 1.137 1047 T CB -0.064 68.863 68.868 0.099 0.000 0.860 1047 T HN 0.323 nan 8.240 nan 0.000 0.468 1048 S N 0.854 116.590 115.700 0.061 0.000 2.561 1048 S HA 0.053 4.523 4.470 -0.000 0.000 0.225 1048 S C 2.121 176.717 174.600 -0.006 0.000 0.977 1048 S CA 0.368 58.590 58.200 0.037 0.000 0.926 1048 S CB -0.275 62.932 63.200 0.011 0.000 0.769 1048 S HN 0.345 nan 8.310 nan 0.000 0.533 1049 S N 1.402 117.064 115.700 -0.064 0.000 2.359 1049 S HA -0.070 4.400 4.470 -0.000 0.000 0.224 1049 S C 0.241 174.651 174.600 -0.316 0.000 1.035 1049 S CA 1.190 59.246 58.200 -0.241 0.000 1.018 1049 S CB -0.346 62.633 63.200 -0.369 0.000 0.876 1049 S HN 0.762 nan 8.310 nan 0.000 0.448 1050 H N 0.474 119.545 119.070 0.002 0.000 2.469 1050 H HA 0.383 4.939 4.556 -0.000 0.000 0.342 1050 H C -0.558 174.857 175.328 0.145 0.000 1.115 1050 H CA -0.909 55.166 56.048 0.046 0.000 1.204 1050 H CB 0.713 30.470 29.762 -0.010 0.000 1.492 1050 H HN 0.034 nan 8.280 nan 0.000 0.499 1051 D N 2.068 122.601 120.400 0.222 0.000 2.390 1051 D HA -0.033 4.607 4.640 -0.000 0.000 0.249 1051 D C 0.424 176.821 176.300 0.162 0.000 1.144 1051 D CA 0.494 54.576 54.000 0.137 0.000 0.880 1051 D CB 0.497 41.368 40.800 0.118 0.000 1.182 1051 D HN 0.975 nan 8.370 nan 0.000 0.451 1052 H N 1.893 120.855 119.070 -0.179 0.000 3.723 1052 H HA 0.057 4.613 4.556 -0.000 0.000 0.254 1052 H C 0.655 175.527 175.328 -0.760 0.000 1.097 1052 H CA -0.321 55.316 56.048 -0.685 0.000 1.170 1052 H CB -0.196 29.243 29.762 -0.540 0.000 1.378 1052 H HN 0.304 nan 8.280 nan 0.000 0.834 1053 K N 1.810 121.603 120.400 -1.011 0.000 2.286 1053 K HA -0.112 4.208 4.320 -0.000 0.000 0.203 1053 K C 1.999 178.416 176.600 -0.306 0.000 1.045 1053 K CA 1.844 57.772 56.287 -0.599 0.000 0.935 1053 K CB 0.144 32.388 32.500 -0.428 0.000 0.737 1053 K HN 0.433 nan 8.250 nan 0.000 0.460 1054 S N 0.758 116.307 115.700 -0.251 0.000 2.387 1054 S HA -0.135 4.335 4.470 -0.000 0.000 0.226 1054 S C 1.817 176.457 174.600 0.067 0.000 1.026 1054 S CA 0.992 59.176 58.200 -0.027 0.000 0.972 1054 S CB -0.453 62.815 63.200 0.114 0.000 0.814 1054 S HN 0.464 nan 8.310 nan 0.000 0.477 1055 F N 1.226 121.204 119.950 0.047 0.000 2.680 1055 F HA 0.507 5.034 4.527 -0.000 0.000 0.290 1055 F C 0.910 176.776 175.800 0.110 0.000 1.114 1055 F CA -0.574 57.465 58.000 0.064 0.000 1.333 1055 F CB -0.808 38.226 39.000 0.056 0.000 1.091 1055 F HN 0.095 nan 8.300 nan 0.000 0.606 1056 S N 2.353 117.883 115.700 -0.284 0.000 2.626 1056 S HA 0.109 4.579 4.470 -0.000 0.000 0.303 1056 S C -0.040 174.669 174.600 0.183 0.000 1.256 1056 S CA -0.346 57.888 58.200 0.057 0.000 1.069 1056 S CB -0.364 62.973 63.200 0.228 0.000 0.807 1056 S HN 0.214 nan 8.310 nan 0.000 0.500 1057 I N 8.515 129.210 120.570 0.210 0.000 2.337 1057 I HA 0.342 4.512 4.170 -0.000 0.000 0.285 1057 I C -2.026 174.061 176.117 -0.050 0.000 1.041 1057 I CA -2.742 58.611 61.300 0.088 0.000 1.199 1057 I CB 0.815 38.849 38.000 0.058 0.000 1.370 1057 I HN 0.495 nan 8.210 nan 0.000 0.470 1058 P HA 0.303 nan 4.420 nan 0.000 0.278 1058 P C -0.690 176.413 177.300 -0.329 0.000 1.238 1058 P CA -0.233 62.470 63.100 -0.661 0.000 0.794 1058 P CB 2.229 33.668 31.700 -0.435 0.000 0.955 1059 V N 4.392 124.115 119.914 -0.319 0.000 2.612 1059 V HA 0.274 4.394 4.120 -0.000 0.000 0.301 1059 V C 0.273 176.336 176.094 -0.051 0.000 1.059 1059 V CA -0.517 61.713 62.300 -0.117 0.000 0.886 1059 V CB 1.938 33.732 31.823 -0.048 0.000 1.007 1059 V HN 0.397 nan 8.190 nan 0.000 0.426 1060 I N 5.583 126.143 120.570 -0.017 0.000 2.269 1060 I HA 0.110 4.280 4.170 -0.000 0.000 0.293 1060 I C 1.138 177.293 176.117 0.063 0.000 1.106 1060 I CA -0.301 61.014 61.300 0.025 0.000 1.248 1060 I CB 1.060 39.073 38.000 0.022 0.000 1.444 1060 I HN 0.550 nan 8.210 nan 0.000 0.497 1061 L N 5.725 127.009 121.223 0.103 0.000 1.990 1061 L HA -0.241 4.099 4.340 -0.000 0.000 0.213 1061 L C 2.602 179.562 176.870 0.151 0.000 1.072 1061 L CA 2.331 57.264 54.840 0.155 0.000 0.755 1061 L CB -0.809 41.374 42.059 0.207 0.000 0.889 1061 L HN 0.721 nan 8.230 nan 0.000 0.432 1062 A N -1.799 121.090 122.820 0.116 0.000 2.125 1062 A HA -0.220 4.099 4.320 -0.000 0.000 0.219 1062 A C 2.334 179.967 177.584 0.081 0.000 1.156 1062 A CA 1.912 54.006 52.037 0.095 0.000 0.671 1062 A CB -0.384 18.658 19.000 0.069 0.000 0.794 1062 A HN 0.453 nan 8.150 nan 0.000 0.459 1063 K N -1.038 119.409 120.400 0.078 0.000 2.440 1063 K HA 0.148 4.468 4.320 -0.000 0.000 0.207 1063 K C -0.120 176.520 176.600 0.067 0.000 1.112 1063 K CA 0.194 56.519 56.287 0.062 0.000 1.036 1063 K CB 0.569 33.094 32.500 0.042 0.000 0.935 1063 K HN 0.430 nan 8.250 nan 0.000 0.564 1064 E N 0.054 120.303 120.200 0.081 0.000 3.306 1064 E HA -0.001 4.349 4.350 -0.000 0.000 0.197 1064 E C -0.399 176.245 176.600 0.073 0.000 0.980 1064 E CA -0.207 56.229 56.400 0.061 0.000 1.259 1064 E CB 0.352 30.064 29.700 0.018 0.000 1.112 1064 E HN 0.207 nan 8.360 nan 0.000 0.458 1065 Y N 1.971 122.279 120.300 0.012 0.000 2.228 1065 Y HA -0.287 4.263 4.550 -0.000 0.000 0.285 1065 Y C 1.526 177.421 175.900 -0.009 0.000 1.178 1065 Y CA 1.954 60.060 58.100 0.010 0.000 1.202 1065 Y CB 0.279 38.747 38.460 0.014 0.000 0.974 1065 Y HN 0.088 nan 8.280 nan 0.000 0.527 1066 D N -0.153 120.261 120.400 0.024 0.000 2.234 1066 D HA -0.127 4.513 4.640 -0.000 0.000 0.205 1066 D C 1.891 178.113 176.300 -0.128 0.000 0.962 1066 D CA 1.025 54.989 54.000 -0.059 0.000 0.855 1066 D CB -0.139 40.687 40.800 0.043 0.000 0.951 1066 D HN 0.424 nan 8.370 nan 0.000 0.500 1067 K N 0.588 120.926 120.400 -0.102 0.000 2.243 1067 K HA 0.066 4.386 4.320 -0.000 0.000 0.201 1067 K C 1.871 178.373 176.600 -0.163 0.000 1.051 1067 K CA 0.536 56.761 56.287 -0.104 0.000 0.970 1067 K CB 0.258 32.719 32.500 -0.064 0.000 0.755 1067 K HN -0.049 nan 8.250 nan 0.000 0.465 1068 A N 1.334 124.023 122.820 -0.218 0.000 1.872 1068 A HA -0.080 4.240 4.320 -0.000 0.000 0.214 1068 A C 2.007 179.377 177.584 -0.358 0.000 1.187 1068 A CA 0.827 52.697 52.037 -0.279 0.000 0.614 1068 A CB -0.577 18.278 19.000 -0.243 0.000 0.826 1068 A HN 0.335 nan 8.150 nan 0.000 0.442 1069 L N -0.654 120.294 121.223 -0.459 0.000 2.141 1069 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 1069 L C 2.517 179.241 176.870 -0.243 0.000 1.094 1069 L CA 1.931 56.535 54.840 -0.394 0.000 0.763 1069 L CB -0.160 41.607 42.059 -0.486 0.000 0.908 1069 L HN 0.458 nan 8.230 nan 0.000 0.437 1070 K N 0.243 120.521 120.400 -0.204 0.000 2.217 1070 K HA -0.118 4.202 4.320 -0.000 0.000 0.202 1070 K C 1.744 178.264 176.600 -0.134 0.000 1.051 1070 K CA 1.366 57.571 56.287 -0.136 0.000 0.952 1070 K CB -0.134 32.304 32.500 -0.104 0.000 0.736 1070 K HN 0.268 nan 8.250 nan 0.000 0.453 1071 L N -0.527 120.594 121.223 -0.169 0.000 2.084 1071 L HA -0.026 4.314 4.340 -0.000 0.000 0.202 1071 L C 2.191 178.949 176.870 -0.186 0.000 1.074 1071 L CA 0.526 55.267 54.840 -0.164 0.000 0.757 1071 L CB -0.398 41.548 42.059 -0.188 0.000 0.918 1071 L HN -0.091 nan 8.230 nan 0.000 0.444 1072 V N 0.129 119.889 119.914 -0.257 0.000 2.490 1072 V HA -0.221 3.899 4.120 -0.000 0.000 0.250 1072 V C 1.842 177.845 176.094 -0.151 0.000 1.061 1072 V CA 1.486 63.639 62.300 -0.245 0.000 1.064 1072 V CB -0.602 31.030 31.823 -0.318 0.000 0.670 1072 V HN 0.453 nan 8.190 nan 0.000 0.461 1073 N N -0.002 118.615 118.700 -0.137 0.000 2.461 1073 N HA -0.047 4.693 4.740 -0.000 0.000 0.188 1073 N C 0.635 176.100 175.510 -0.074 0.000 1.134 1073 N CA 0.471 53.465 53.050 -0.094 0.000 0.878 1073 N CB -0.138 38.297 38.487 -0.087 0.000 0.972 1073 N HN 0.440 nan 8.380 nan 0.000 0.456 1074 D N 0.793 121.145 120.400 -0.081 0.000 2.973 1074 D HA 0.167 4.806 4.640 -0.000 0.000 0.263 1074 D C -0.533 175.733 176.300 -0.056 0.000 1.266 1074 D CA -0.424 53.539 54.000 -0.062 0.000 0.975 1074 D CB -0.496 40.267 40.800 -0.062 0.000 1.032 1074 D HN 0.251 nan 8.370 nan 0.000 0.510 1075 C N -0.700 118.570 119.300 -0.050 0.000 3.275 1075 C HA 0.489 4.948 4.460 -0.000 0.000 0.340 1075 C C 0.517 175.488 174.990 -0.033 0.000 1.366 1075 C CA -0.761 58.230 59.018 -0.046 0.000 1.227 1075 C CB 1.276 28.978 27.740 -0.064 0.000 1.512 1075 C HN 0.093 nan 8.230 nan 0.000 0.461 1076 D N 0.454 120.838 120.400 -0.026 0.000 2.259 1076 D HA 0.265 4.905 4.640 -0.000 0.000 0.216 1076 D C 0.447 176.736 176.300 -0.019 0.000 0.961 1076 D CA 1.251 55.245 54.000 -0.011 0.000 0.878 1076 D CB 0.233 41.042 40.800 0.014 0.000 1.009 1076 D HN 0.546 nan 8.370 nan 0.000 0.490 1077 I N 1.842 122.389 120.570 -0.039 0.000 2.389 1077 I HA 0.258 4.428 4.170 -0.000 0.000 0.288 1077 I C -0.458 175.635 176.117 -0.041 0.000 0.999 1077 I CA -0.542 60.737 61.300 -0.036 0.000 1.129 1077 I CB 2.013 39.984 38.000 -0.048 0.000 1.288 1077 I HN -0.049 nan 8.210 nan 0.000 0.444 1078 L N 7.623 128.849 121.223 0.005 0.000 2.276 1078 L HA 0.542 4.882 4.340 -0.000 0.000 0.286 1078 L C -0.685 176.249 176.870 0.106 0.000 1.024 1078 L CA -0.522 54.341 54.840 0.037 0.000 0.826 1078 L CB 1.136 43.218 42.059 0.039 0.000 1.211 1078 L HN 0.478 nan 8.230 nan 0.000 0.422 1079 I N 6.199 126.850 120.570 0.136 0.000 2.312 1079 I HA 0.326 4.496 4.170 -0.000 0.000 0.290 1079 I C -0.111 176.175 176.117 0.281 0.000 1.008 1079 I CA -0.319 61.121 61.300 0.232 0.000 1.226 1079 I CB 1.588 39.733 38.000 0.241 0.000 1.371 1079 I HN 0.456 nan 8.210 nan 0.000 0.468 1080 I N 6.653 127.398 120.570 0.290 0.000 2.330 1080 I HA 0.257 4.427 4.170 -0.000 0.000 0.289 1080 I C 0.645 176.902 176.117 0.233 0.000 1.001 1080 I CA -0.300 61.158 61.300 0.263 0.000 1.193 1080 I CB 1.052 39.206 38.000 0.257 0.000 1.345 1080 I HN 0.594 nan 8.210 nan 0.000 0.461 1081 N N 3.155 121.973 118.700 0.197 0.000 2.368 1081 N HA 0.055 4.795 4.740 -0.000 0.000 0.178 1081 N C 0.080 175.689 175.510 0.165 0.000 1.076 1081 N CA 0.302 53.498 53.050 0.243 0.000 0.889 1081 N CB 0.711 39.380 38.487 0.303 0.000 1.040 1081 N HN 0.677 nan 8.380 nan 0.000 0.463 1082 S N -0.744 114.968 115.700 0.021 0.000 2.564 1082 S HA 0.632 5.102 4.470 -0.000 0.000 0.274 1082 S C -0.609 173.898 174.600 -0.155 0.000 1.124 1082 S CA -0.749 57.424 58.200 -0.046 0.000 0.869 1082 S CB 2.507 65.654 63.200 -0.089 0.000 1.105 1082 S HN -0.206 nan 8.310 nan 0.000 0.472 1083 V N 2.779 122.605 119.914 -0.146 0.000 2.769 1083 V HA 0.628 4.748 4.120 -0.000 0.000 0.312 1083 V C -2.163 173.768 176.094 -0.273 0.000 1.058 1083 V CA -2.250 59.881 62.300 -0.281 0.000 0.952 1083 V CB 1.835 33.581 31.823 -0.128 0.000 1.019 1083 V HN 0.880 nan 8.190 nan 0.000 0.445 1084 P HA 0.100 nan 4.420 nan 0.000 0.267 1084 P C -0.626 176.636 177.300 -0.063 0.000 1.200 1084 P CA 0.059 63.038 63.100 -0.201 0.000 0.772 1084 P CB 0.581 32.145 31.700 -0.226 0.000 0.855 1085 A N 2.660 125.490 122.820 0.017 0.000 2.407 1085 A HA 0.252 4.571 4.320 -0.000 0.000 0.248 1085 A C 1.814 179.420 177.584 0.037 0.000 1.082 1085 A CA 0.293 52.363 52.037 0.055 0.000 0.785 1085 A CB -0.582 18.482 19.000 0.106 0.000 1.020 1085 A HN 0.676 nan 8.150 nan 0.000 0.489 1086 T N -0.634 113.948 114.554 0.046 0.000 2.778 1086 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 1086 T C 1.062 175.783 174.700 0.034 0.000 1.050 1086 T CA 1.713 63.838 62.100 0.042 0.000 1.137 1086 T CB -0.772 68.125 68.868 0.049 0.000 0.860 1086 T HN 1.226 nan 8.240 nan 0.000 0.468 1087 S N 1.434 117.152 115.700 0.029 0.000 3.548 1087 S HA 0.463 4.932 4.470 -0.000 0.000 0.195 1087 S C 1.036 175.643 174.600 0.011 0.000 1.432 1087 S CA -0.331 57.879 58.200 0.017 0.000 1.087 1087 S CB 0.219 63.422 63.200 0.006 0.000 1.337 1087 S HN 0.536 nan 8.310 nan 0.000 0.505 1088 V N -2.445 117.481 119.914 0.020 0.000 3.379 1088 V HA 0.403 4.523 4.120 -0.000 0.000 0.249 1088 V C 0.395 176.505 176.094 0.027 0.000 1.184 1088 V CA 0.142 62.456 62.300 0.023 0.000 1.106 1088 V CB -1.230 30.612 31.823 0.031 0.000 0.826 1088 V HN 0.806 nan 8.190 nan 0.000 0.465 1089 Q N 1.166 120.983 119.800 0.028 0.000 2.061 1089 Q HA -0.173 4.167 4.340 -0.000 0.000 0.282 1089 Q C 0.756 176.777 176.000 0.036 0.000 0.870 1089 Q CA 0.524 56.344 55.803 0.028 0.000 0.536 1089 Q CB -0.477 28.275 28.738 0.023 0.000 0.679 1089 Q HN 0.613 nan 8.270 nan 0.000 0.322 1090 E N 0.933 121.153 120.200 0.034 0.000 2.639 1090 E HA -0.388 3.962 4.350 -0.000 0.000 0.252 1090 E C 1.314 177.940 176.600 0.044 0.000 1.088 1090 E CA 2.521 58.943 56.400 0.037 0.000 1.348 1090 E CB -0.902 28.814 29.700 0.027 0.000 1.203 1090 E HN 0.813 nan 8.360 nan 0.000 0.460 1091 A N 0.170 123.014 122.820 0.040 0.000 2.259 1091 A HA -0.065 4.255 4.320 -0.000 0.000 0.212 1091 A C 2.135 179.762 177.584 0.072 0.000 1.178 1091 A CA 1.815 53.878 52.037 0.044 0.000 0.734 1091 A CB -0.304 18.717 19.000 0.035 0.000 0.774 1091 A HN 0.306 nan 8.150 nan 0.000 0.481 1092 T N -1.208 113.396 114.554 0.082 0.000 3.056 1092 T HA 0.080 4.430 4.350 -0.000 0.000 0.241 1092 T C 1.706 176.497 174.700 0.153 0.000 1.006 1092 T CA 0.732 62.900 62.100 0.114 0.000 1.115 1092 T CB -0.135 68.786 68.868 0.088 0.000 0.939 1092 T HN 0.362 nan 8.240 nan 0.000 0.462 1093 I N 2.301 122.944 120.570 0.122 0.000 2.286 1093 I HA -0.005 4.165 4.170 -0.000 0.000 0.245 1093 I C 1.717 177.944 176.117 0.183 0.000 1.104 1093 I CA 1.546 62.939 61.300 0.156 0.000 1.397 1093 I CB -0.487 37.573 38.000 0.101 0.000 1.072 1093 I HN 0.187 nan 8.210 nan 0.000 0.417 1094 N N 0.391 119.160 118.700 0.115 0.000 2.223 1094 N HA -0.194 4.546 4.740 -0.000 0.000 0.185 1094 N C 1.351 176.912 175.510 0.084 0.000 1.016 1094 N CA 1.166 54.263 53.050 0.078 0.000 0.863 1094 N CB -0.183 38.325 38.487 0.035 0.000 0.983 1094 N HN 0.361 nan 8.380 nan 0.000 0.429 1095 N N -0.215 118.562 118.700 0.129 0.000 2.354 1095 N HA -0.093 4.647 4.740 -0.000 0.000 0.179 1095 N C 1.229 176.919 175.510 0.300 0.000 1.021 1095 N CA 0.453 53.614 53.050 0.184 0.000 0.887 1095 N CB -0.063 38.559 38.487 0.225 0.000 0.974 1095 N HN 0.378 nan 8.380 nan 0.000 0.437 1096 Y N 1.379 121.782 120.300 0.172 0.000 2.206 1096 Y HA 0.039 4.589 4.550 -0.000 0.000 0.292 1096 Y C 1.776 177.767 175.900 0.153 0.000 1.123 1096 Y CA 1.395 59.605 58.100 0.184 0.000 1.142 1096 Y CB 0.062 38.607 38.460 0.143 0.000 1.006 1096 Y HN -0.140 nan 8.280 nan 0.000 0.518 1097 K N 0.695 121.141 120.400 0.078 0.000 2.152 1097 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 1097 K C 1.855 178.422 176.600 -0.055 0.000 1.048 1097 K CA 1.934 58.208 56.287 -0.022 0.000 0.933 1097 K CB -0.171 32.371 32.500 0.070 0.000 0.721 1097 K HN 0.491 nan 8.250 nan 0.000 0.447 1098 K N 0.708 121.115 120.400 0.011 0.000 2.400 1098 K HA 0.030 4.349 4.320 -0.000 0.000 0.194 1098 K C 1.919 178.592 176.600 0.122 0.000 1.033 1098 K CA 0.377 56.684 56.287 0.033 0.000 1.021 1098 K CB 0.053 32.540 32.500 -0.022 0.000 0.808 1098 K HN 0.051 nan 8.250 nan 0.000 0.505 1099 L N 1.122 122.414 121.223 0.114 0.000 2.109 1099 L HA -0.012 4.328 4.340 -0.000 0.000 0.207 1099 L C 2.093 178.920 176.870 -0.072 0.000 1.086 1099 L CA 0.734 55.608 54.840 0.057 0.000 0.760 1099 L CB -0.057 41.994 42.059 -0.013 0.000 0.910 1099 L HN 0.229 nan 8.230 nan 0.000 0.437 1100 L N -0.505 120.619 121.223 -0.164 0.000 2.046 1100 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 1100 L C 2.121 178.952 176.870 -0.065 0.000 1.077 1100 L CA 1.226 55.981 54.840 -0.140 0.000 0.747 1100 L CB -0.687 41.261 42.059 -0.184 0.000 0.896 1100 L HN 0.268 nan 8.230 nan 0.000 0.432 1101 D N 0.197 120.571 120.400 -0.043 0.000 2.182 1101 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 1101 D C 1.272 177.571 176.300 -0.002 0.000 0.986 1101 D CA 1.174 55.163 54.000 -0.018 0.000 0.847 1101 D CB -0.262 40.532 40.800 -0.010 0.000 0.942 1101 D HN 0.340 nan 8.370 nan 0.000 0.467 1102 N N -0.483 118.226 118.700 0.015 0.000 2.251 1102 N HA 0.187 4.927 4.740 -0.000 0.000 0.217 1102 N C -0.192 175.310 175.510 -0.014 0.000 1.124 1102 N CA -0.089 52.972 53.050 0.019 0.000 0.843 1102 N CB 0.603 39.134 38.487 0.074 0.000 1.024 1102 N HN 0.168 nan 8.380 nan 0.000 0.501 1103 I N 1.102 121.655 120.570 -0.029 0.000 2.441 1103 I HA 0.042 4.212 4.170 -0.000 0.000 0.287 1103 I C 0.462 176.562 176.117 -0.028 0.000 1.049 1103 I CA -0.606 60.669 61.300 -0.042 0.000 1.381 1103 I CB 0.664 38.638 38.000 -0.043 0.000 1.409 1103 I HN -0.080 nan 8.210 nan 0.000 0.523 1104 K N 8.137 128.519 120.400 -0.030 0.000 2.543 1104 K HA -0.066 4.254 4.320 -0.000 0.000 0.279 1104 K C -1.314 175.276 176.600 -0.017 0.000 1.001 1104 K CA -0.516 55.758 56.287 -0.021 0.000 1.088 1104 K CB 0.279 32.765 32.500 -0.023 0.000 0.863 1104 K HN 0.456 nan 8.250 nan 0.000 0.488 1105 P HA -0.171 nan 4.420 nan 0.000 0.226 1105 P C 0.903 178.198 177.300 -0.009 0.000 1.153 1105 P CA 1.184 64.278 63.100 -0.010 0.000 0.777 1105 P CB 0.237 31.932 31.700 -0.008 0.000 0.794 1106 S N -0.121 115.573 115.700 -0.010 0.000 2.387 1106 S HA -0.047 4.422 4.470 -0.000 0.000 0.226 1106 S C 1.248 175.843 174.600 -0.010 0.000 1.026 1106 S CA 0.068 58.263 58.200 -0.009 0.000 0.972 1106 S CB -1.359 61.836 63.200 -0.008 0.000 0.814 1106 S HN 0.043 nan 8.310 nan 0.000 0.477 1107 I N 2.855 123.417 120.570 -0.012 0.000 2.752 1107 I HA 0.007 4.176 4.170 -0.000 0.000 0.289 1107 I C 0.862 176.974 176.117 -0.008 0.000 1.197 1107 I CA 0.055 61.347 61.300 -0.013 0.000 1.432 1107 I CB 0.301 38.290 38.000 -0.019 0.000 1.359 1107 I HN 0.259 nan 8.210 nan 0.000 0.571 1108 R N 6.382 126.878 120.500 -0.007 0.000 2.242 1108 R HA 0.343 4.683 4.340 -0.000 0.000 0.334 1108 R C -1.270 175.036 176.300 0.011 0.000 1.071 1108 R CA -0.391 55.707 56.100 -0.004 0.000 0.922 1108 R CB 0.490 30.781 30.300 -0.014 0.000 1.023 1108 R HN 0.449 nan 8.270 nan 0.000 0.458 1109 V N 5.838 125.764 119.914 0.018 0.000 2.465 1109 V HA 0.308 4.428 4.120 -0.000 0.000 0.279 1109 V C -0.199 175.925 176.094 0.052 0.000 1.045 1109 V CA -0.624 61.702 62.300 0.044 0.000 0.938 1109 V CB 1.551 33.399 31.823 0.043 0.000 0.986 1109 V HN 0.508 nan 8.190 nan 0.000 0.467 1110 V N 5.422 125.392 119.914 0.093 0.000 2.487 1110 V HA 0.498 4.618 4.120 -0.000 0.000 0.298 1110 V C -0.306 175.864 176.094 0.128 0.000 1.028 1110 V CA -0.605 61.754 62.300 0.098 0.000 0.860 1110 V CB 2.056 33.989 31.823 0.184 0.000 0.991 1110 V HN 0.592 nan 8.190 nan 0.000 0.427 1111 V N 5.142 125.081 119.914 0.041 0.000 2.409 1111 V HA 0.466 4.586 4.120 -0.000 0.000 0.291 1111 V C -1.174 174.867 176.094 -0.089 0.000 1.020 1111 V CA -0.665 61.666 62.300 0.052 0.000 0.848 1111 V CB 1.601 33.466 31.823 0.069 0.000 0.990 1111 V HN 0.760 nan 8.190 nan 0.000 0.430 1112 Y N 3.054 123.265 120.300 -0.147 0.000 2.342 1112 Y HA 0.497 5.047 4.550 -0.000 0.000 0.338 1112 Y C 0.339 175.851 175.900 -0.647 0.000 0.965 1112 Y CA -0.470 57.311 58.100 -0.531 0.000 1.159 1112 Y CB 1.738 39.696 38.460 -0.837 0.000 1.157 1112 Y HN 0.559 nan 8.280 nan 0.000 0.486 1113 Q N 3.085 122.569 119.800 -0.527 0.000 2.421 1113 Q HA 0.174 4.514 4.340 -0.000 0.000 0.242 1113 Q C 0.048 175.793 176.000 -0.425 0.000 1.024 1113 Q CA 0.100 55.580 55.803 -0.540 0.000 0.891 1113 Q CB 0.146 28.219 28.738 -1.108 0.000 1.222 1113 Q HN 0.669 nan 8.270 nan 0.000 0.483 1114 H N 1.285 120.301 119.070 -0.090 0.000 2.535 1114 H HA 0.113 4.669 4.556 -0.000 0.000 0.273 1114 H C -0.387 174.911 175.328 -0.050 0.000 0.983 1114 H CA 0.359 56.407 56.048 0.001 0.000 1.238 1114 H CB 0.694 30.443 29.762 -0.021 0.000 1.412 1114 H HN 0.530 nan 8.280 nan 0.000 0.562 1115 D N -0.199 120.190 120.400 -0.019 0.000 2.354 1115 D HA 0.076 4.716 4.640 -0.000 0.000 0.247 1115 D C 1.271 177.424 176.300 -0.246 0.000 1.138 1115 D CA -0.121 53.804 54.000 -0.125 0.000 0.958 1115 D CB 1.259 42.060 40.800 0.002 0.000 1.144 1115 D HN 0.265 nan 8.370 nan 0.000 0.458 1116 H N -0.433 118.560 119.070 -0.128 0.000 2.336 1116 H HA 0.068 4.624 4.556 -0.000 0.000 0.307 1116 H C 0.644 175.728 175.328 -0.407 0.000 1.056 1116 H CA 0.228 56.062 56.048 -0.356 0.000 1.471 1116 H CB -0.358 28.888 29.762 -0.860 0.000 1.502 1116 H HN 0.271 nan 8.280 nan 0.000 0.630 1117 S N 1.368 116.847 115.700 -0.369 0.000 2.548 1117 S HA 0.066 4.536 4.470 -0.000 0.000 0.277 1117 S C 1.634 176.245 174.600 0.018 0.000 1.315 1117 S CA -0.037 58.042 58.200 -0.202 0.000 1.050 1117 S CB 1.167 64.241 63.200 -0.210 0.000 0.918 1117 S HN 0.177 nan 8.310 nan 0.000 0.497 1118 V N 6.153 126.120 119.914 0.090 0.000 2.380 1118 V HA -0.155 3.965 4.120 -0.000 0.000 0.251 1118 V C 1.980 178.118 176.094 0.073 0.000 1.063 1118 V CA 2.132 64.482 62.300 0.085 0.000 1.055 1118 V CB -0.716 31.149 31.823 0.070 0.000 0.657 1118 V HN 0.900 nan 8.190 nan 0.000 0.455 1119 L N 0.131 121.394 121.223 0.068 0.000 2.129 1119 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 1119 L C 2.712 179.631 176.870 0.082 0.000 1.087 1119 L CA 2.425 57.308 54.840 0.073 0.000 0.757 1119 L CB -1.061 41.044 42.059 0.077 0.000 0.896 1119 L HN 0.412 nan 8.230 nan 0.000 0.434 1120 S N -1.668 114.081 115.700 0.081 0.000 2.470 1120 S HA 0.105 4.575 4.470 -0.000 0.000 0.222 1120 S C 1.894 176.554 174.600 0.100 0.000 1.024 1120 S CA 0.097 58.352 58.200 0.092 0.000 0.931 1120 S CB 0.025 63.280 63.200 0.092 0.000 0.791 1120 S HN 0.327 nan 8.310 nan 0.000 0.513 1121 L N 1.101 122.388 121.223 0.107 0.000 2.093 1121 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 1121 L C 2.690 179.646 176.870 0.143 0.000 1.085 1121 L CA 0.785 55.713 54.840 0.146 0.000 0.755 1121 L CB -0.376 41.783 42.059 0.166 0.000 0.904 1121 L HN 0.182 nan 8.230 nan 0.000 0.435 1122 R N 0.486 121.052 120.500 0.110 0.000 2.115 1122 R HA -0.050 4.290 4.340 -0.000 0.000 0.230 1122 R C 1.507 177.867 176.300 0.101 0.000 1.111 1122 R CA 0.777 56.939 56.100 0.103 0.000 0.976 1122 R CB -0.535 29.812 30.300 0.078 0.000 0.870 1122 R HN 0.349 nan 8.270 nan 0.000 0.445 1123 R N 1.846 122.403 120.500 0.095 0.000 3.441 1123 R HA 0.090 4.430 4.340 -0.000 0.000 0.225 1123 R C -0.381 175.970 176.300 0.086 0.000 1.756 1123 R CA 0.048 56.200 56.100 0.086 0.000 1.504 1123 R CB -0.275 30.076 30.300 0.086 0.000 1.183 1123 R HN 0.125 nan 8.270 nan 0.000 0.567 1124 N N 0.830 119.589 118.700 0.099 0.000 2.314 1124 N HA 0.308 5.048 4.740 -0.000 0.000 0.294 1124 N C -0.900 174.661 175.510 0.085 0.000 1.029 1124 N CA -0.480 52.624 53.050 0.090 0.000 0.845 1124 N CB 2.249 40.814 38.487 0.129 0.000 1.321 1124 N HN 0.015 nan 8.380 nan 0.000 0.481 1125 L N 0.941 122.190 121.223 0.044 0.000 2.294 1125 L HA 0.472 4.812 4.340 -0.000 0.000 0.283 1125 L C 0.992 177.890 176.870 0.047 0.000 1.015 1125 L CA -0.438 54.431 54.840 0.049 0.000 0.831 1125 L CB 1.405 43.487 42.059 0.038 0.000 1.217 1125 L HN 0.875 nan 8.230 nan 0.000 0.420 1126 G N 2.408 111.259 108.800 0.084 0.000 2.131 1126 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.201 1126 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.201 1126 G C 0.326 175.298 174.900 0.119 0.000 1.000 1126 G CA 0.175 45.355 45.100 0.134 0.000 0.680 1126 G HN 0.553 nan 8.290 nan 0.000 0.514 1127 L N 0.741 122.010 121.223 0.077 0.000 2.109 1127 L HA 0.317 4.657 4.340 -0.000 0.000 0.207 1127 L C 2.360 179.102 176.870 -0.213 0.000 1.086 1127 L CA 2.860 57.749 54.840 0.083 0.000 0.760 1127 L CB -0.269 41.958 42.059 0.280 0.000 0.910 1127 L HN 0.468 nan 8.230 nan 0.000 0.437 1128 E N -0.375 119.542 120.200 -0.471 0.000 2.051 1128 E HA -0.249 4.101 4.350 -0.000 0.000 0.192 1128 E C 1.916 178.178 176.600 -0.563 0.000 0.991 1128 E CA 1.507 57.249 56.400 -1.096 0.000 0.799 1128 E CB -0.082 29.007 29.700 -1.018 0.000 0.748 1128 E HN 0.638 nan 8.360 nan 0.000 0.449 1129 E N -0.477 119.563 120.200 -0.265 0.000 2.204 1129 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 1129 E C 1.967 178.520 176.600 -0.078 0.000 0.989 1129 E CA 1.413 57.728 56.400 -0.141 0.000 0.824 1129 E CB 0.058 29.724 29.700 -0.056 0.000 0.756 1129 E HN 0.258 nan 8.360 nan 0.000 0.477 1130 T N 0.418 114.963 114.554 -0.015 0.000 2.904 1130 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 1130 T C 2.032 176.754 174.700 0.038 0.000 1.059 1130 T CA 0.588 62.729 62.100 0.068 0.000 1.137 1130 T CB 0.062 69.046 68.868 0.194 0.000 0.879 1130 T HN -0.014 nan 8.240 nan 0.000 0.467 1131 V N 1.308 121.203 119.914 -0.030 0.000 2.488 1131 V HA -0.037 4.083 4.120 -0.000 0.000 0.246 1131 V C 2.553 178.680 176.094 0.055 0.000 1.046 1131 V CA 1.306 63.634 62.300 0.047 0.000 1.053 1131 V CB -0.440 31.407 31.823 0.040 0.000 0.679 1131 V HN 0.351 nan 8.190 nan 0.000 0.458 1132 R N 0.061 120.545 120.500 -0.026 0.000 2.115 1132 R HA -0.120 4.220 4.340 -0.000 0.000 0.230 1132 R C 2.376 178.695 176.300 0.032 0.000 1.111 1132 R CA 1.150 57.272 56.100 0.037 0.000 0.976 1132 R CB -0.249 30.024 30.300 -0.045 0.000 0.870 1132 R HN 0.246 nan 8.270 nan 0.000 0.445 1133 R N 1.311 121.815 120.500 0.006 0.000 2.299 1133 R HA 0.124 4.464 4.340 -0.000 0.000 0.197 1133 R C -0.240 176.072 176.300 0.021 0.000 0.971 1133 R CA 0.368 56.472 56.100 0.007 0.000 1.030 1133 R CB -0.052 30.243 30.300 -0.008 0.000 0.932 1133 R HN 0.101 nan 8.270 nan 0.000 0.477 1134 A N 0.422 123.263 122.820 0.036 0.000 2.388 1134 A HA 0.178 4.498 4.320 -0.000 0.000 0.257 1134 A C -0.011 177.582 177.584 0.015 0.000 1.095 1134 A CA -0.213 51.846 52.037 0.036 0.000 0.791 1134 A CB 0.359 19.392 19.000 0.055 0.000 1.029 1134 A HN 0.395 nan 8.150 nan 0.000 0.489 1135 D N 0.452 120.852 120.400 0.001 0.000 2.355 1135 D HA 0.161 4.801 4.640 -0.000 0.000 0.206 1135 D C -0.175 176.104 176.300 -0.035 0.000 1.010 1135 D CA 1.037 55.028 54.000 -0.015 0.000 0.875 1135 D CB 0.592 41.383 40.800 -0.016 0.000 0.966 1135 D HN 0.241 nan 8.370 nan 0.000 0.512 1136 V N 1.592 121.473 119.914 -0.055 0.000 2.808 1136 V HA 0.420 4.540 4.120 -0.000 0.000 0.308 1136 V C -0.595 175.388 176.094 -0.186 0.000 1.099 1136 V CA -0.768 61.445 62.300 -0.144 0.000 0.920 1136 V CB 2.851 34.546 31.823 -0.214 0.000 1.014 1136 V HN -0.112 nan 8.190 nan 0.000 0.425 1137 I N 3.944 124.362 120.570 -0.254 0.000 2.533 1137 I HA 0.612 4.782 4.170 -0.000 0.000 0.290 1137 I C -1.215 174.688 176.117 -0.357 0.000 1.056 1137 I CA -0.287 60.897 61.300 -0.194 0.000 1.057 1137 I CB 2.077 40.095 38.000 0.031 0.000 1.240 1137 I HN 0.403 nan 8.210 nan 0.000 0.423 1138 F N 2.850 122.632 119.950 -0.280 0.000 2.579 1138 F HA 0.737 5.264 4.527 -0.000 0.000 0.324 1138 F C 0.344 176.058 175.800 -0.144 0.000 1.058 1138 F CA -0.471 57.403 58.000 -0.211 0.000 0.944 1138 F CB 2.318 40.959 39.000 -0.598 0.000 1.245 1138 F HN 0.506 nan 8.300 nan 0.000 0.477 1139 S N -0.877 115.022 115.700 0.333 0.000 2.596 1139 S HA 0.359 4.829 4.470 -0.000 0.000 0.270 1139 S C -0.338 174.304 174.600 0.070 0.000 1.155 1139 S CA -0.771 57.509 58.200 0.132 0.000 0.827 1139 S CB 1.401 64.648 63.200 0.079 0.000 1.130 1139 S HN 0.676 nan 8.310 nan 0.000 0.467 1140 H N 0.545 119.616 119.070 0.001 0.000 2.502 1140 H HA 0.373 4.929 4.556 -0.000 0.000 0.283 1140 H C 0.535 175.852 175.328 -0.018 0.000 1.015 1140 H CA 1.384 57.339 56.048 -0.155 0.000 1.298 1140 H CB 0.387 30.105 29.762 -0.073 0.000 1.411 1140 H HN 0.634 nan 8.280 nan 0.000 0.556 1141 S N -0.313 115.492 115.700 0.175 0.000 2.535 1141 S HA 0.121 4.591 4.470 -0.000 0.000 0.272 1141 S C -0.168 174.498 174.600 0.109 0.000 1.149 1141 S CA -0.812 57.464 58.200 0.127 0.000 0.888 1141 S CB 1.355 64.635 63.200 0.134 0.000 1.110 1141 S HN 0.034 nan 8.310 nan 0.000 0.463 1142 D N 2.689 123.128 120.400 0.065 0.000 2.348 1142 D HA 0.015 4.655 4.640 -0.000 0.000 0.216 1142 D C 0.391 176.704 176.300 0.022 0.000 0.970 1142 D CA 0.880 54.906 54.000 0.043 0.000 0.889 1142 D CB -0.064 40.746 40.800 0.017 0.000 0.912 1142 D HN 0.535 nan 8.370 nan 0.000 0.524 1143 N N -0.374 118.331 118.700 0.009 0.000 2.235 1143 N HA 0.185 4.925 4.740 -0.000 0.000 0.231 1143 N C 0.627 176.098 175.510 -0.064 0.000 1.177 1143 N CA -0.174 52.852 53.050 -0.039 0.000 0.874 1143 N CB 1.350 39.794 38.487 -0.072 0.000 1.097 1143 N HN -0.038 nan 8.380 nan 0.000 0.518 1144 G N -0.308 108.511 108.800 0.032 0.000 2.580 1144 G HA2 0.041 4.000 3.960 -0.000 0.000 0.278 1144 G HA3 0.041 4.000 3.960 -0.000 0.000 0.278 1144 G C 0.287 175.256 174.900 0.115 0.000 1.212 1144 G CA -0.327 44.835 45.100 0.103 0.000 0.939 1144 G HN -0.017 nan 8.290 nan 0.000 0.513 1145 D N -0.711 119.822 120.400 0.222 0.000 2.218 1145 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 1145 D C 1.811 178.163 176.300 0.085 0.000 0.976 1145 D CA 0.713 54.796 54.000 0.138 0.000 0.853 1145 D CB -0.106 40.816 40.800 0.203 0.000 0.939 1145 D HN 0.280 nan 8.370 nan 0.000 0.481 1146 F N 1.587 121.559 119.950 0.037 0.000 2.084 1146 F HA -0.167 4.360 4.527 -0.000 0.000 0.296 1146 F C 1.837 177.611 175.800 -0.043 0.000 1.111 1146 F CA 1.336 59.331 58.000 -0.008 0.000 1.224 1146 F CB -0.169 38.868 39.000 0.062 0.000 0.991 1146 F HN -0.157 nan 8.300 nan 0.000 0.471 1147 N N -0.014 118.763 118.700 0.127 0.000 2.216 1147 N HA -0.097 4.643 4.740 -0.000 0.000 0.183 1147 N C 1.601 177.061 175.510 -0.083 0.000 1.017 1147 N CA 1.072 54.130 53.050 0.013 0.000 0.861 1147 N CB -0.197 38.344 38.487 0.090 0.000 0.986 1147 N HN 0.062 nan 8.380 nan 0.000 0.428 1148 K N -0.172 120.189 120.400 -0.065 0.000 2.211 1148 K HA 0.108 4.427 4.320 -0.000 0.000 0.201 1148 K C 1.704 178.226 176.600 -0.130 0.000 1.052 1148 K CA 0.304 56.538 56.287 -0.088 0.000 0.973 1148 K CB 0.060 32.520 32.500 -0.068 0.000 0.766 1148 K HN 0.203 nan 8.250 nan 0.000 0.466 1149 V N -2.495 117.319 119.914 -0.167 0.000 2.735 1149 V HA 0.121 4.241 4.120 -0.000 0.000 0.234 1149 V C 1.715 177.580 176.094 -0.382 0.000 1.121 1149 V CA 0.238 62.412 62.300 -0.210 0.000 1.160 1149 V CB -0.542 31.195 31.823 -0.144 0.000 0.908 1149 V HN 0.053 nan 8.190 nan 0.000 0.495 1150 L N -0.159 120.730 121.223 -0.556 0.000 2.083 1150 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 1150 L C 2.965 178.999 176.870 -1.393 0.000 1.083 1150 L CA 1.820 55.998 54.840 -1.103 0.000 0.752 1150 L CB -0.509 40.794 42.059 -1.259 0.000 0.899 1150 L HN 0.335 nan 8.230 nan 0.000 0.433 1151 M N -0.643 118.442 119.600 -0.857 0.000 2.200 1151 M HA -0.145 4.335 4.480 -0.000 0.000 0.265 1151 M C 2.073 178.269 176.300 -0.173 0.000 1.066 1151 M CA 1.442 56.509 55.300 -0.388 0.000 1.127 1151 M CB -0.816 31.643 32.600 -0.235 0.000 1.379 1151 M HN -0.025 nan 8.290 nan 0.000 0.420 1152 K N 0.624 120.887 120.400 -0.227 0.000 2.439 1152 K HA -0.056 4.264 4.320 -0.000 0.000 0.197 1152 K C 1.659 178.181 176.600 -0.130 0.000 1.041 1152 K CA 0.806 57.020 56.287 -0.122 0.000 0.970 1152 K CB -0.019 32.410 32.500 -0.118 0.000 0.773 1152 K HN 0.433 nan 8.250 nan 0.000 0.479 1153 E N -1.827 118.218 120.200 -0.259 0.000 2.307 1153 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 1153 E C 0.977 177.524 176.600 -0.088 0.000 0.975 1153 E CA 0.212 56.488 56.400 -0.207 0.000 0.878 1153 E CB 0.118 29.636 29.700 -0.303 0.000 0.845 1153 E HN 0.310 nan 8.360 nan 0.000 0.488 1154 W N -0.417 120.767 121.300 -0.193 0.000 2.737 1154 W HA 0.095 4.755 4.660 -0.000 0.000 0.262 1154 W C 0.315 176.467 176.519 -0.610 0.000 1.282 1154 W CA 0.226 57.326 57.345 -0.409 0.000 1.386 1154 W CB -0.011 29.134 29.460 -0.526 0.000 1.099 1154 W HN 0.019 nan 8.180 nan 0.000 0.621 1155 Y N 1.154 121.536 120.300 0.136 0.000 2.470 1155 Y HA 0.289 4.839 4.550 -0.000 0.000 0.352 1155 Y C -1.788 174.120 175.900 0.014 0.000 0.967 1155 Y CA -2.730 55.408 58.100 0.065 0.000 1.121 1155 Y CB -0.608 37.883 38.460 0.052 0.000 1.149 1155 Y HN -0.295 nan 8.280 nan 0.000 0.641 1156 P HA -0.038 nan 4.420 nan 0.000 0.270 1156 P C 0.946 178.275 177.300 0.049 0.000 1.227 1156 P CA 0.221 63.349 63.100 0.047 0.000 0.788 1156 P CB 1.317 33.029 31.700 0.020 0.000 0.926 1157 E N -0.205 120.008 120.200 0.022 0.000 3.145 1157 E HA -0.289 4.060 4.350 -0.000 0.000 0.365 1157 E C 1.008 177.620 176.600 0.021 0.000 1.238 1157 E CA 2.401 58.809 56.400 0.015 0.000 1.180 1157 E CB -1.397 28.307 29.700 0.007 0.000 1.144 1157 E HN 0.842 nan 8.360 nan 0.000 0.435 1168 A N 2.438 125.103 122.820 -0.258 0.000 2.547 1168 A HA 0.668 4.988 4.320 -0.000 0.000 0.300 1168 A C -2.796 174.503 177.584 -0.474 0.000 1.061 1168 A CA -1.270 50.432 52.037 -0.559 0.000 0.808 1168 A CB 0.404 19.207 19.000 -0.328 0.000 1.304 1168 A HN 0.506 nan 8.150 nan 0.000 0.393 1169 P HA 0.187 nan 4.420 nan 0.000 0.266 1169 P C 0.167 177.318 177.300 -0.248 0.000 1.180 1169 P CA 0.601 63.509 63.100 -0.320 0.000 0.765 1169 P CB 0.373 31.926 31.700 -0.246 0.000 0.806 1170 T N 1.378 115.789 114.554 -0.238 0.000 2.909 1170 T HA 0.383 4.733 4.350 -0.000 0.000 0.289 1170 T C -0.164 174.294 174.700 -0.403 0.000 1.005 1170 T CA -0.384 61.509 62.100 -0.344 0.000 1.084 1170 T CB 0.649 69.241 68.868 -0.460 0.000 0.975 1170 T HN 0.039 nan 8.240 nan 0.000 0.509 1171 V N 3.317 122.987 119.914 -0.408 0.000 2.495 1171 V HA 0.447 4.567 4.120 -0.000 0.000 0.298 1171 V C -1.162 174.687 176.094 -0.410 0.000 1.031 1171 V CA -0.931 61.204 62.300 -0.275 0.000 0.871 1171 V CB 1.113 32.935 31.823 -0.002 0.000 0.988 1171 V HN 0.772 nan 8.190 nan 0.000 0.432 1172 Y N 2.400 122.624 120.300 -0.126 0.000 2.420 1172 Y HA 0.386 4.936 4.550 -0.000 0.000 0.334 1172 Y C 0.700 176.713 175.900 0.188 0.000 1.094 1172 Y CA -0.609 57.468 58.100 -0.038 0.000 1.126 1172 Y CB 1.147 39.474 38.460 -0.221 0.000 1.217 1172 Y HN 0.601 nan 8.280 nan 0.000 0.462 1173 N N 2.539 121.450 118.700 0.352 0.000 2.530 1173 N HA 0.290 5.030 4.740 -0.000 0.000 0.277 1173 N C -1.419 174.337 175.510 0.409 0.000 1.168 1173 N CA 0.036 53.257 53.050 0.285 0.000 0.979 1173 N CB 0.781 39.355 38.487 0.144 0.000 1.141 1173 N HN 0.605 nan 8.380 nan 0.000 0.459 1174 F N -0.206 119.805 119.950 0.101 0.000 2.654 1174 F HA 0.441 4.968 4.527 -0.000 0.000 0.308 1174 F C -1.458 174.310 175.800 -0.053 0.000 1.108 1174 F CA -0.938 57.057 58.000 -0.010 0.000 0.957 1174 F CB 1.076 40.002 39.000 -0.123 0.000 1.309 1174 F HN 0.317 nan 8.300 nan 0.000 0.446 1175 Q N 2.694 122.371 119.800 -0.205 0.000 2.345 1175 Q HA 0.472 4.812 4.340 -0.000 0.000 0.268 1175 Q C -2.730 173.216 176.000 -0.091 0.000 1.054 1175 Q CA -2.323 53.293 55.803 -0.312 0.000 0.835 1175 Q CB 2.742 31.313 28.738 -0.278 0.000 1.339 1175 Q HN 0.423 nan 8.270 nan 0.000 0.447 1176 P HA 0.177 nan 4.420 nan 0.000 0.274 1176 P C -2.700 174.517 177.300 -0.137 0.000 1.504 1176 P CA -1.462 61.733 63.100 0.159 0.000 1.011 1176 P CB 0.665 32.387 31.700 0.037 0.000 1.366 1177 P HA 0.374 nan 4.420 nan 0.000 0.279 1177 P C -0.522 176.862 177.300 0.140 0.000 1.252 1177 P CA -0.467 62.480 63.100 -0.255 0.000 0.811 1177 P CB 1.339 32.618 31.700 -0.702 0.000 1.035 1178 M N 1.161 120.861 119.600 0.167 0.000 2.501 1178 M HA 0.279 4.759 4.480 -0.000 0.000 0.293 1178 M C -0.993 175.421 176.300 0.189 0.000 1.192 1178 M CA -0.757 54.724 55.300 0.302 0.000 0.886 1178 M CB 2.189 35.036 32.600 0.411 0.000 1.710 1178 M HN 0.132 nan 8.290 nan 0.000 0.457 1179 D N 4.387 124.909 120.400 0.203 0.000 2.435 1179 D HA 0.188 4.827 4.640 -0.000 0.000 0.230 1179 D C 0.961 177.388 176.300 0.212 0.000 1.215 1179 D CA 0.113 54.223 54.000 0.184 0.000 0.947 1179 D CB 0.053 40.955 40.800 0.169 0.000 1.048 1179 D HN 0.644 nan 8.370 nan 0.000 0.512 1180 I N 2.427 123.132 120.570 0.225 0.000 2.315 1180 I HA -0.242 3.927 4.170 -0.000 0.000 0.248 1180 I C 2.221 178.551 176.117 0.356 0.000 1.117 1180 I CA 0.412 61.880 61.300 0.281 0.000 1.404 1180 I CB 0.029 38.164 38.000 0.224 0.000 1.071 1180 I HN 0.253 nan 8.210 nan 0.000 0.419 1181 V N 0.990 121.093 119.914 0.315 0.000 2.407 1181 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 1181 V C 2.536 178.749 176.094 0.198 0.000 1.055 1181 V CA 1.789 64.248 62.300 0.266 0.000 1.049 1181 V CB -0.756 31.165 31.823 0.164 0.000 0.662 1181 V HN 0.395 nan 8.190 nan 0.000 0.455 1182 K N -0.021 120.488 120.400 0.181 0.000 2.009 1182 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 1182 K C 2.112 178.827 176.600 0.191 0.000 1.049 1182 K CA 1.741 58.116 56.287 0.146 0.000 0.929 1182 K CB -0.267 32.314 32.500 0.136 0.000 0.714 1182 K HN 0.336 nan 8.250 nan 0.000 0.440 1183 V N 1.661 121.740 119.914 0.274 0.000 2.343 1183 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 1183 V C 2.554 178.898 176.094 0.417 0.000 1.051 1183 V CA 1.665 64.200 62.300 0.390 0.000 1.036 1183 V CB -0.609 31.438 31.823 0.373 0.000 0.654 1183 V HN 0.384 nan 8.190 nan 0.000 0.451 1184 R N 1.358 122.086 120.500 0.380 0.000 2.113 1184 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 1184 R C 1.887 178.306 176.300 0.198 0.000 1.129 1184 R CA 2.182 58.488 56.100 0.345 0.000 0.915 1184 R CB -0.887 29.525 30.300 0.187 0.000 0.837 1184 R HN 0.648 nan 8.270 nan 0.000 0.430 1185 S N 0.121 115.867 115.700 0.076 0.000 3.870 1185 S HA 0.086 4.556 4.470 -0.000 0.000 0.198 1185 S C 0.106 174.704 174.600 -0.004 0.000 1.336 1185 S CA 0.342 58.546 58.200 0.006 0.000 1.049 1185 S CB 0.246 63.427 63.200 -0.032 0.000 1.412 1185 S HN 0.422 nan 8.310 nan 0.000 0.448 1186 T N -0.996 113.552 114.554 -0.009 0.000 3.310 1186 T HA 0.142 4.492 4.350 -0.000 0.000 0.266 1186 T C 0.228 174.694 174.700 -0.390 0.000 0.842 1186 T CA -0.185 61.778 62.100 -0.228 0.000 0.815 1186 T CB -0.219 68.444 68.868 -0.342 0.000 1.247 1186 T HN 0.513 nan 8.240 nan 0.000 0.697 1187 Y N -0.696 119.684 120.300 0.134 0.000 2.723 1187 Y HA 0.381 4.931 4.550 -0.000 0.000 0.272 1187 Y C 0.624 176.622 175.900 0.163 0.000 1.142 1187 Y CA -1.182 56.993 58.100 0.125 0.000 1.217 1187 Y CB 0.523 39.052 38.460 0.114 0.000 1.391 1187 Y HN 0.206 nan 8.280 nan 0.000 0.479 1188 W N 5.409 126.802 121.300 0.155 0.000 2.476 1188 W HA -0.006 4.654 4.660 -0.000 0.000 0.338 1188 W C -0.525 176.015 176.519 0.034 0.000 1.328 1188 W CA 0.822 58.205 57.345 0.064 0.000 1.300 1188 W CB 0.393 29.848 29.460 -0.008 0.000 1.252 1188 W HN -0.016 nan 8.180 nan 0.000 0.568 1189 K N 4.370 124.861 120.400 0.150 0.000 2.258 1189 K HA 0.195 4.515 4.320 -0.000 0.000 0.236 1189 K C -0.267 176.423 176.600 0.150 0.000 1.008 1189 K CA -0.831 55.538 56.287 0.135 0.000 0.869 1189 K CB 0.926 33.445 32.500 0.033 0.000 1.171 1189 K HN 0.415 nan 8.250 nan 0.000 0.447 1190 D N 0.871 121.343 120.400 0.120 0.000 2.350 1190 D HA 0.013 4.653 4.640 -0.000 0.000 0.249 1190 D C 1.216 177.538 176.300 0.037 0.000 1.119 1190 D CA -0.128 53.937 54.000 0.108 0.000 0.886 1190 D CB 1.419 42.263 40.800 0.073 0.000 1.195 1190 D HN 0.096 nan 8.370 nan 0.000 0.437 1191 V N 3.487 123.425 119.914 0.040 0.000 2.313 1191 V HA -0.356 3.764 4.120 -0.000 0.000 0.253 1191 V C 2.482 178.517 176.094 -0.098 0.000 1.070 1191 V CA 2.424 64.700 62.300 -0.041 0.000 1.057 1191 V CB -1.074 30.745 31.823 -0.006 0.000 0.653 1191 V HN 0.740 nan 8.190 nan 0.000 0.450 1192 S N -0.146 115.525 115.700 -0.049 0.000 2.528 1192 S HA -0.215 4.255 4.470 -0.000 0.000 0.244 1192 S C 1.465 176.034 174.600 -0.052 0.000 0.982 1192 S CA 1.685 59.854 58.200 -0.051 0.000 0.953 1192 S CB -0.444 62.743 63.200 -0.022 0.000 0.754 1192 S HN 0.793 nan 8.310 nan 0.000 0.529 1193 E N 0.073 120.243 120.200 -0.051 0.000 2.498 1193 E HA 0.362 4.712 4.350 -0.000 0.000 0.203 1193 E C -0.251 176.310 176.600 -0.064 0.000 1.013 1193 E CA -0.193 56.183 56.400 -0.041 0.000 0.927 1193 E CB 0.375 30.065 29.700 -0.017 0.000 1.012 1193 E HN 0.584 nan 8.360 nan 0.000 0.482 1194 I N 2.205 122.708 120.570 -0.112 0.000 2.371 1194 I HA 0.065 4.235 4.170 -0.000 0.000 0.290 1194 I C 0.217 176.248 176.117 -0.144 0.000 1.028 1194 I CA -0.579 60.633 61.300 -0.147 0.000 1.345 1194 I CB 0.626 38.476 38.000 -0.249 0.000 1.407 1194 I HN -0.036 nan 8.210 nan 0.000 0.501 1195 N N 7.740 126.391 118.700 -0.082 0.000 2.448 1195 N HA 0.079 4.819 4.740 -0.000 0.000 0.250 1195 N C 0.856 176.356 175.510 -0.016 0.000 1.136 1195 N CA -0.245 52.781 53.050 -0.040 0.000 0.953 1195 N CB 0.774 39.260 38.487 -0.002 0.000 1.251 1195 N HN 0.537 nan 8.380 nan 0.000 0.502 1196 M N 1.497 121.070 119.600 -0.046 0.000 2.426 1196 M HA -0.134 4.346 4.480 -0.000 0.000 0.261 1196 M C 0.580 177.016 176.300 0.226 0.000 1.068 1196 M CA 0.868 56.197 55.300 0.048 0.000 1.066 1196 M CB -0.609 31.999 32.600 0.014 0.000 1.399 1196 M HN 0.375 nan 8.290 nan 0.000 0.449 1197 N N 0.044 118.838 118.700 0.156 0.000 2.336 1197 N HA 0.107 4.847 4.740 -0.000 0.000 0.189 1197 N C 0.129 175.765 175.510 0.209 0.000 1.113 1197 N CA 0.230 53.392 53.050 0.186 0.000 0.858 1197 N CB 0.698 39.261 38.487 0.126 0.000 0.970 1197 N HN 0.223 nan 8.380 nan 0.000 0.471 1198 I N 1.652 122.344 120.570 0.205 0.000 2.342 1198 I HA 0.152 4.322 4.170 -0.000 0.000 0.291 1198 I C -0.313 175.993 176.117 0.315 0.000 1.010 1198 I CA -0.408 61.010 61.300 0.197 0.000 1.308 1198 I CB 0.412 38.484 38.000 0.118 0.000 1.400 1198 I HN -0.141 nan 8.210 nan 0.000 0.488 1199 N N 6.107 125.000 118.700 0.322 0.000 2.476 1199 N HA 0.412 5.151 4.740 -0.000 0.000 0.257 1199 N C -0.409 175.316 175.510 0.357 0.000 0.970 1199 N CA -0.600 52.748 53.050 0.496 0.000 0.938 1199 N CB 1.580 40.345 38.487 0.462 0.000 1.144 1199 N HN 0.406 nan 8.380 nan 0.000 0.500 1200 R N 1.854 122.609 120.500 0.424 0.000 2.343 1200 R HA 0.344 4.683 4.340 -0.000 0.000 0.320 1200 R C -1.491 175.040 176.300 0.385 0.000 0.956 1200 R CA -0.719 55.552 56.100 0.284 0.000 0.836 1200 R CB 1.027 31.407 30.300 0.132 0.000 1.151 1200 R HN 0.598 nan 8.270 nan 0.000 0.450 1201 W N 7.603 128.955 121.300 0.088 0.000 2.478 1201 W HA 0.482 5.142 4.660 -0.000 0.000 0.318 1201 W C -0.901 175.605 176.519 -0.023 0.000 1.062 1201 W CA -0.717 56.665 57.345 0.063 0.000 1.210 1201 W CB 0.821 30.243 29.460 -0.063 0.000 1.325 1201 W HN 0.481 nan 8.180 nan 0.000 0.496 1202 I N 4.705 124.958 120.570 -0.529 0.000 2.646 1202 I HA 1.035 5.205 4.170 -0.000 0.000 0.299 1202 I C 0.192 175.681 176.117 -1.048 0.000 1.036 1202 I CA -0.717 60.279 61.300 -0.507 0.000 1.074 1202 I CB 1.877 39.684 38.000 -0.321 0.000 1.258 1202 I HN 0.690 nan 8.210 nan 0.000 0.430 1203 G N 4.506 112.921 108.800 -0.642 0.000 2.498 1203 G HA2 0.506 4.466 3.960 -0.000 0.000 0.181 1203 G HA3 0.506 4.466 3.960 -0.000 0.000 0.181 1203 G C -1.434 173.389 174.900 -0.128 0.000 1.169 1203 G CA -0.964 43.776 45.100 -0.600 0.000 0.992 1203 G HN 0.717 nan 8.290 nan 0.000 0.490 1204 R N -1.226 119.255 120.500 -0.033 0.000 2.764 1204 R HA 0.559 4.899 4.340 -0.000 0.000 0.270 1204 R C -0.964 175.374 176.300 0.065 0.000 1.014 1204 R CA -0.684 55.423 56.100 0.011 0.000 0.904 1204 R CB 1.790 32.031 30.300 -0.098 0.000 1.236 1204 R HN 0.399 nan 8.270 nan 0.000 0.466 1205 T N 1.840 116.385 114.554 -0.015 0.000 4.475 1205 T HA 0.146 4.496 4.350 -0.000 0.000 0.254 1205 T C -0.557 174.170 174.700 0.046 0.000 1.160 1205 T CA 0.366 62.380 62.100 -0.143 0.000 1.091 1205 T CB -0.459 68.296 68.868 -0.189 0.000 1.377 1205 T HN 0.378 nan 8.240 nan 0.000 1.057 1206 T N 1.028 115.678 114.554 0.159 0.000 2.928 1206 T HA 0.242 4.592 4.350 -0.000 0.000 0.296 1206 T C 1.690 176.411 174.700 0.036 0.000 1.000 1206 T CA -0.835 61.291 62.100 0.042 0.000 0.989 1206 T CB 1.763 70.435 68.868 -0.327 0.000 1.005 1206 T HN 0.446 nan 8.240 nan 0.000 0.442 1207 T N 0.015 114.603 114.554 0.056 0.000 2.649 1207 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 1207 T C 1.924 176.551 174.700 -0.122 0.000 1.036 1207 T CA 1.693 63.696 62.100 -0.163 0.000 1.157 1207 T CB -0.640 68.220 68.868 -0.015 0.000 0.861 1207 T HN 0.870 nan 8.240 nan 0.000 0.445 1208 W N 1.374 122.625 121.300 -0.082 0.000 2.747 1208 W HA 0.286 4.946 4.660 -0.000 0.000 0.244 1208 W C 1.156 177.588 176.519 -0.145 0.000 1.270 1208 W CA 0.330 57.591 57.345 -0.140 0.000 1.333 1208 W CB -0.563 28.825 29.460 -0.119 0.000 1.139 1208 W HN 0.210 nan 8.180 nan 0.000 0.662 1209 K N 0.775 121.030 120.400 -0.242 0.000 2.400 1209 K HA 0.175 4.495 4.320 -0.000 0.000 0.194 1209 K C 1.581 178.219 176.600 0.064 0.000 1.033 1209 K CA 0.960 57.142 56.287 -0.175 0.000 1.021 1209 K CB -0.413 31.976 32.500 -0.186 0.000 0.808 1209 K HN 0.184 nan 8.250 nan 0.000 0.505 1210 G N 1.280 110.030 108.800 -0.083 0.000 2.225 1210 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.264 1210 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.264 1210 G C 0.537 175.375 174.900 -0.103 0.000 1.060 1210 G CA 0.459 45.470 45.100 -0.148 0.000 0.833 1210 G HN 0.404 nan 8.290 nan 0.000 0.498 1211 F N -2.019 117.801 119.950 -0.216 0.000 2.186 1211 F HA 0.099 4.626 4.527 -0.000 0.000 0.299 1211 F C 2.324 177.727 175.800 -0.663 0.000 1.090 1211 F CA 1.112 58.598 58.000 -0.857 0.000 1.307 1211 F CB -0.673 37.702 39.000 -1.041 0.000 1.019 1211 F HN 0.188 nan 8.300 nan 0.000 0.489 1212 Y N 1.054 121.120 120.300 -0.391 0.000 2.114 1212 Y HA -0.290 4.260 4.550 -0.000 0.000 0.282 1212 Y C 2.702 178.630 175.900 0.046 0.000 1.165 1212 Y CA 1.905 60.006 58.100 0.001 0.000 1.148 1212 Y CB -0.744 37.626 38.460 -0.150 0.000 0.972 1212 Y HN 0.093 nan 8.280 nan 0.000 0.504 1213 Q N -0.876 118.990 119.800 0.111 0.000 2.135 1213 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 1213 Q C 2.290 178.371 176.000 0.135 0.000 0.981 1213 Q CA 1.878 57.789 55.803 0.180 0.000 0.856 1213 Q CB -0.417 28.407 28.738 0.144 0.000 0.902 1213 Q HN 0.466 nan 8.270 nan 0.000 0.425 1214 M N -1.028 118.478 119.600 -0.156 0.000 2.132 1214 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 1214 M C 1.112 177.387 176.300 -0.042 0.000 1.065 1214 M CA 1.391 56.549 55.300 -0.237 0.000 1.122 1214 M CB -0.210 31.921 32.600 -0.781 0.000 1.365 1214 M HN 0.150 nan 8.290 nan 0.000 0.411 1215 F N 0.373 120.315 119.950 -0.014 0.000 2.095 1215 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 1215 F C 2.306 178.224 175.800 0.196 0.000 1.104 1215 F CA 1.915 59.962 58.000 0.077 0.000 1.232 1215 F CB -1.343 37.694 39.000 0.061 0.000 0.987 1215 F HN 0.220 nan 8.300 nan 0.000 0.475 1216 D N -0.625 120.035 120.400 0.432 0.000 2.123 1216 D HA -0.238 4.402 4.640 -0.000 0.000 0.196 1216 D C 2.113 178.672 176.300 0.432 0.000 0.992 1216 D CA 1.040 55.268 54.000 0.379 0.000 0.833 1216 D CB -0.399 40.625 40.800 0.373 0.000 0.954 1216 D HN 0.157 nan 8.370 nan 0.000 0.455 1217 F N 0.439 120.579 119.950 0.317 0.000 2.216 1217 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 1217 F C 2.200 178.152 175.800 0.253 0.000 1.085 1217 F CA 1.461 59.656 58.000 0.326 0.000 1.326 1217 F CB -0.385 38.847 39.000 0.386 0.000 1.027 1217 F HN 0.160 nan 8.300 nan 0.000 0.497 1218 H N 0.577 119.754 119.070 0.178 0.000 2.261 1218 H HA -0.167 4.389 4.556 -0.000 0.000 0.301 1218 H C 2.086 177.398 175.328 -0.026 0.000 1.067 1218 H CA 1.939 58.003 56.048 0.027 0.000 1.297 1218 H CB -0.333 29.482 29.762 0.089 0.000 1.377 1218 H HN 0.472 nan 8.280 nan 0.000 0.492 1219 E N 0.497 120.642 120.200 -0.093 0.000 2.338 1219 E HA -0.151 4.199 4.350 -0.000 0.000 0.197 1219 E C 2.103 178.577 176.600 -0.210 0.000 1.007 1219 E CA 1.003 57.281 56.400 -0.203 0.000 0.849 1219 E CB -0.039 29.642 29.700 -0.030 0.000 0.774 1219 E HN 0.321 nan 8.360 nan 0.000 0.506 1220 K N -1.112 119.203 120.400 -0.142 0.000 2.323 1220 K HA 0.082 4.402 4.320 -0.000 0.000 0.197 1220 K C 0.379 176.536 176.600 -0.738 0.000 1.043 1220 K CA 0.636 56.746 56.287 -0.296 0.000 0.997 1220 K CB 0.283 32.783 32.500 0.000 0.000 0.807 1220 K HN 0.144 nan 8.250 nan 0.000 0.497 1221 F N -1.721 117.894 119.950 -0.557 0.000 2.533 1221 F HA 0.154 4.681 4.527 -0.000 0.000 0.313 1221 F C 1.309 176.480 175.800 -1.049 0.000 0.834 1221 F CA -0.392 57.057 58.000 -0.918 0.000 1.061 1221 F CB 0.114 38.317 39.000 -1.328 0.000 0.915 1221 F HN -0.211 nan 8.300 nan 0.000 0.693 1222 L N 0.647 121.476 121.223 -0.657 0.000 2.005 1222 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 1222 L C 2.451 179.180 176.870 -0.235 0.000 1.072 1222 L CA 1.669 56.297 54.840 -0.354 0.000 0.744 1222 L CB -0.497 41.551 42.059 -0.018 0.000 0.895 1222 L HN 0.126 nan 8.230 nan 0.000 0.433 1223 K N 0.426 120.558 120.400 -0.446 0.000 2.002 1223 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 1223 K C -0.400 176.064 176.600 -0.226 0.000 1.048 1223 K CA 1.490 57.537 56.287 -0.399 0.000 0.930 1223 K CB -0.799 31.279 32.500 -0.704 0.000 0.714 1223 K HN 0.114 nan 8.250 nan 0.000 0.438 1224 P HA -0.138 nan 4.420 nan 0.000 0.218 1224 P C 0.246 177.475 177.300 -0.119 0.000 1.146 1224 P CA 1.526 64.507 63.100 -0.197 0.000 0.813 1224 P CB 0.054 31.591 31.700 -0.272 0.000 0.778 1225 A N -1.682 121.075 122.820 -0.105 0.000 2.307 1225 A HA 0.506 4.825 4.320 -0.000 0.000 0.218 1225 A C 1.709 179.337 177.584 0.073 0.000 1.228 1225 A CA 0.709 52.774 52.037 0.047 0.000 0.857 1225 A CB -0.947 18.197 19.000 0.241 0.000 0.897 1225 A HN 0.245 nan 8.150 nan 0.000 0.495 1226 G N -0.458 108.357 108.800 0.026 0.000 2.234 1226 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.235 1226 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.235 1226 G C 0.373 175.323 174.900 0.083 0.000 0.997 1226 G CA 0.264 45.394 45.100 0.050 0.000 0.623 1226 G HN 0.425 nan 8.290 nan 0.000 0.514 1227 K N 1.128 121.596 120.400 0.112 0.000 2.286 1227 K HA 0.534 4.854 4.320 -0.000 0.000 0.256 1227 K C 0.361 177.076 176.600 0.192 0.000 0.999 1227 K CA 0.299 56.683 56.287 0.161 0.000 0.908 1227 K CB 0.516 33.141 32.500 0.207 0.000 0.981 1227 K HN 0.265 nan 8.250 nan 0.000 0.500 1228 S N 0.140 115.954 115.700 0.190 0.000 2.503 1228 S HA 0.447 4.917 4.470 -0.000 0.000 0.301 1228 S C -0.606 174.065 174.600 0.118 0.000 1.087 1228 S CA -0.709 57.592 58.200 0.168 0.000 1.042 1228 S CB 1.622 64.890 63.200 0.113 0.000 1.043 1228 S HN 0.435 nan 8.310 nan 0.000 0.489 1229 T N 2.256 116.789 114.554 -0.034 0.000 2.841 1229 T HA 0.549 4.899 4.350 -0.000 0.000 0.285 1229 T C -0.833 173.808 174.700 -0.098 0.000 0.991 1229 T CA -0.440 61.576 62.100 -0.140 0.000 0.966 1229 T CB 1.143 69.728 68.868 -0.472 0.000 0.962 1229 T HN 0.335 nan 8.240 nan 0.000 0.438 1230 V N 4.720 124.626 119.914 -0.014 0.000 2.495 1230 V HA 0.559 4.679 4.120 -0.000 0.000 0.298 1230 V C -0.382 175.739 176.094 0.046 0.000 1.031 1230 V CA -0.806 61.499 62.300 0.009 0.000 0.871 1230 V CB 1.780 33.609 31.823 0.010 0.000 0.988 1230 V HN 0.867 nan 8.190 nan 0.000 0.432 1231 M N 4.136 123.764 119.600 0.048 0.000 2.085 1231 M HA 0.492 4.971 4.480 -0.000 0.000 0.309 1231 M C -0.589 175.822 176.300 0.185 0.000 0.947 1231 M CA -0.238 55.148 55.300 0.144 0.000 0.918 1231 M CB 1.751 34.266 32.600 -0.142 0.000 1.504 1231 M HN 0.601 nan 8.290 nan 0.000 0.420 1232 E N 1.141 121.470 120.200 0.215 0.000 2.191 1232 E HA 0.615 4.965 4.350 -0.000 0.000 0.278 1232 E C 0.702 177.473 176.600 0.286 0.000 0.972 1232 E CA -0.143 56.330 56.400 0.122 0.000 0.804 1232 E CB 1.763 31.351 29.700 -0.187 0.000 1.110 1232 E HN 0.973 nan 8.360 nan 0.000 0.394 1233 G N 2.684 111.698 108.800 0.357 0.000 2.231 1233 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.206 1233 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.206 1233 G C 0.168 175.184 174.900 0.194 0.000 0.996 1233 G CA -0.641 44.644 45.100 0.309 0.000 0.645 1233 G HN 0.456 nan 8.290 nan 0.000 0.498 1234 L N 2.712 124.064 121.223 0.216 0.000 2.536 1234 L HA 0.386 4.726 4.340 -0.000 0.000 0.282 1234 L C 0.640 177.676 176.870 0.276 0.000 1.147 1234 L CA -0.504 54.455 54.840 0.198 0.000 0.936 1234 L CB 0.121 42.295 42.059 0.192 0.000 1.279 1234 L HN 0.357 nan 8.230 nan 0.000 0.461 1235 E N 2.911 123.228 120.200 0.197 0.000 2.371 1235 E HA 0.268 4.618 4.350 -0.000 0.000 0.257 1235 E C -0.304 176.434 176.600 0.231 0.000 1.134 1235 E CA -0.732 55.787 56.400 0.198 0.000 0.919 1235 E CB 0.392 30.154 29.700 0.105 0.000 1.025 1235 E HN 0.266 nan 8.360 nan 0.000 0.438 1236 R N 0.908 121.496 120.500 0.147 0.000 2.449 1236 R HA 0.369 4.709 4.340 -0.000 0.000 0.296 1236 R C -0.216 176.113 176.300 0.048 0.000 1.047 1236 R CA 0.133 56.219 56.100 -0.022 0.000 1.018 1236 R CB 0.367 30.607 30.300 -0.100 0.000 0.962 1236 R HN 0.470 nan 8.270 nan 0.000 0.428 1237 S N 1.867 117.631 115.700 0.106 0.000 2.588 1237 S HA 0.367 4.837 4.470 -0.000 0.000 0.269 1237 S C -2.044 172.624 174.600 0.113 0.000 1.157 1237 S CA -1.398 56.860 58.200 0.096 0.000 0.824 1237 S CB 1.585 64.840 63.200 0.090 0.000 1.126 1237 S HN 0.454 nan 8.310 nan 0.000 0.464 1238 P HA 0.001 nan 4.420 nan 0.000 0.220 1238 P C 1.193 178.549 177.300 0.094 0.000 1.148 1238 P CA 1.310 64.457 63.100 0.080 0.000 0.803 1238 P CB -0.214 31.524 31.700 0.064 0.000 0.782 1239 A N -0.556 122.311 122.820 0.077 0.000 2.042 1239 A HA -0.195 4.125 4.320 -0.000 0.000 0.222 1239 A C 1.954 179.515 177.584 -0.039 0.000 1.167 1239 A CA 1.266 53.337 52.037 0.055 0.000 0.649 1239 A CB -1.809 17.206 19.000 0.026 0.000 0.809 1239 A HN 0.100 nan 8.150 nan 0.000 0.457 1240 F N -0.174 119.723 119.950 -0.089 0.000 2.407 1240 F HA -0.030 4.496 4.527 -0.000 0.000 0.299 1240 F C 2.003 177.775 175.800 -0.046 0.000 1.097 1240 F CA 0.896 58.811 58.000 -0.142 0.000 1.422 1240 F CB -0.207 38.654 39.000 -0.232 0.000 1.067 1240 F HN 0.166 nan 8.300 nan 0.000 0.539 1241 I N -0.483 120.177 120.570 0.150 0.000 2.163 1241 I HA -0.368 3.802 4.170 -0.000 0.000 0.243 1241 I C 2.661 178.841 176.117 0.105 0.000 1.085 1241 I CA 1.354 62.720 61.300 0.111 0.000 1.347 1241 I CB -0.903 37.146 38.000 0.081 0.000 1.044 1241 I HN 0.089 nan 8.210 nan 0.000 0.408 1242 A N 1.076 123.963 122.820 0.112 0.000 1.902 1242 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 1242 A C 2.302 179.975 177.584 0.147 0.000 1.181 1242 A CA 1.557 53.676 52.037 0.136 0.000 0.623 1242 A CB -0.889 18.230 19.000 0.198 0.000 0.818 1242 A HN 0.412 nan 8.150 nan 0.000 0.443 1243 I N -0.715 119.915 120.570 0.101 0.000 2.361 1243 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 1243 I C 2.298 178.465 176.117 0.083 0.000 1.133 1243 I CA 1.646 62.956 61.300 0.017 0.000 1.413 1243 I CB -0.212 37.594 38.000 -0.324 0.000 1.073 1243 I HN 0.326 nan 8.210 nan 0.000 0.424 1244 K N 0.411 120.901 120.400 0.150 0.000 2.137 1244 K HA -0.059 4.261 4.320 -0.000 0.000 0.202 1244 K C 1.145 177.793 176.600 0.081 0.000 1.052 1244 K CA 0.698 57.078 56.287 0.155 0.000 0.961 1244 K CB 0.047 32.648 32.500 0.167 0.000 0.741 1244 K HN 0.010 nan 8.250 nan 0.000 0.452 1245 E N 0.856 121.101 120.200 0.076 0.000 2.311 1245 E HA 0.055 4.405 4.350 -0.000 0.000 0.198 1245 E C 0.249 176.880 176.600 0.051 0.000 1.115 1245 E CA 0.315 56.747 56.400 0.053 0.000 1.140 1245 E CB 0.373 30.102 29.700 0.050 0.000 1.204 1245 E HN 0.060 nan 8.360 nan 0.000 0.446 1246 K N -1.054 119.379 120.400 0.056 0.000 2.553 1246 K HA 0.160 4.480 4.320 -0.000 0.000 0.205 1246 K C 0.469 177.091 176.600 0.036 0.000 1.168 1246 K CA 0.464 56.782 56.287 0.053 0.000 1.043 1246 K CB 0.767 33.323 32.500 0.093 0.000 0.967 1246 K HN 0.204 nan 8.250 nan 0.000 0.585 1247 G N 2.312 111.127 108.800 0.026 0.000 2.273 1247 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.280 1247 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.280 1247 G C -0.167 174.732 174.900 -0.002 0.000 1.047 1247 G CA 0.298 45.403 45.100 0.008 0.000 0.869 1247 G HN 0.292 nan 8.290 nan 0.000 0.502 1248 I N 2.053 122.616 120.570 -0.013 0.000 2.304 1248 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 1248 I C -1.382 174.721 176.117 -0.022 0.000 1.018 1248 I CA -2.232 59.024 61.300 -0.073 0.000 1.260 1248 I CB 1.442 39.278 38.000 -0.273 0.000 1.390 1248 I HN 0.003 nan 8.210 nan 0.000 0.475 1249 P HA 0.251 nan 4.420 nan 0.000 0.275 1249 P C -1.478 175.886 177.300 0.107 0.000 1.228 1249 P CA 0.151 63.240 63.100 -0.018 0.000 0.786 1249 P CB 0.920 32.626 31.700 0.011 0.000 0.927 1250 Y N -2.406 117.912 120.300 0.030 0.000 2.732 1250 Y HA 0.531 5.081 4.550 -0.000 0.000 0.342 1250 Y C -1.687 174.263 175.900 0.084 0.000 1.203 1250 Y CA -1.171 56.989 58.100 0.100 0.000 1.092 1250 Y CB 0.771 39.322 38.460 0.152 0.000 1.345 1250 Y HN 0.318 nan 8.280 nan 0.000 0.458 1251 E N 1.552 121.966 120.200 0.357 0.000 2.218 1251 E HA 0.293 4.643 4.350 -0.000 0.000 0.263 1251 E C -2.171 174.545 176.600 0.195 0.000 0.879 1251 E CA -0.975 55.510 56.400 0.141 0.000 0.762 1251 E CB 2.246 32.016 29.700 0.117 0.000 1.166 1251 E HN 0.637 nan 8.360 nan 0.000 0.415 1252 Y N 3.084 123.317 120.300 -0.112 0.000 2.330 1252 Y HA 0.339 4.889 4.550 -0.000 0.000 0.336 1252 Y C -1.328 174.331 175.900 -0.402 0.000 1.036 1252 Y CA -0.336 57.694 58.100 -0.116 0.000 1.125 1252 Y CB 0.653 39.071 38.460 -0.071 0.000 1.194 1252 Y HN 0.426 nan 8.280 nan 0.000 0.469 1253 Y N 2.675 122.808 120.300 -0.278 0.000 2.512 1253 Y HA 0.635 5.185 4.550 -0.000 0.000 0.348 1253 Y C 0.545 176.295 175.900 -0.249 0.000 0.990 1253 Y CA -1.186 56.819 58.100 -0.159 0.000 1.033 1253 Y CB 1.723 40.129 38.460 -0.090 0.000 1.259 1253 Y HN 0.730 nan 8.280 nan 0.000 0.461 1254 G N 0.143 108.977 108.800 0.055 0.000 2.528 1254 G HA2 0.097 4.057 3.960 -0.000 0.000 0.289 1254 G HA3 0.097 4.057 3.960 -0.000 0.000 0.289 1254 G C 0.278 175.200 174.900 0.036 0.000 1.192 1254 G CA -0.708 44.405 45.100 0.022 0.000 0.921 1254 G HN 0.888 nan 8.290 nan 0.000 0.512 1255 N N -0.811 117.904 118.700 0.025 0.000 2.459 1255 N HA -0.087 4.653 4.740 -0.000 0.000 0.181 1255 N C 2.176 177.702 175.510 0.027 0.000 1.046 1255 N CA 0.297 53.363 53.050 0.027 0.000 0.904 1255 N CB 0.019 38.525 38.487 0.031 0.000 0.964 1255 N HN 0.563 nan 8.380 nan 0.000 0.444 1256 R N 0.685 121.205 120.500 0.033 0.000 2.323 1256 R HA -0.005 4.335 4.340 -0.000 0.000 0.198 1256 R C 0.507 176.829 176.300 0.037 0.000 0.988 1256 R CA 0.837 56.955 56.100 0.031 0.000 1.041 1256 R CB -0.172 30.146 30.300 0.030 0.000 0.926 1256 R HN 0.417 nan 8.270 nan 0.000 0.476 1257 E N 0.714 120.946 120.200 0.052 0.000 2.758 1257 E HA 0.077 4.426 4.350 -0.000 0.000 0.215 1257 E C 1.304 177.927 176.600 0.039 0.000 0.985 1257 E CA -0.277 56.165 56.400 0.071 0.000 1.102 1257 E CB -0.012 29.765 29.700 0.128 0.000 1.042 1257 E HN 0.290 nan 8.360 nan 0.000 0.480 1258 I N 2.703 123.266 120.570 -0.012 0.000 2.502 1258 I HA -0.321 3.849 4.170 -0.000 0.000 0.258 1258 I C 1.291 177.325 176.117 -0.138 0.000 1.172 1258 I CA 2.293 63.534 61.300 -0.099 0.000 1.430 1258 I CB 0.060 38.021 38.000 -0.065 0.000 1.086 1258 I HN 0.147 nan 8.210 nan 0.000 0.440 1259 D N 0.060 120.418 120.400 -0.069 0.000 2.219 1259 D HA -0.234 4.406 4.640 -0.000 0.000 0.205 1259 D C 1.925 178.183 176.300 -0.069 0.000 0.970 1259 D CA 0.973 54.938 54.000 -0.058 0.000 0.851 1259 D CB -0.366 40.422 40.800 -0.020 0.000 0.943 1259 D HN 0.278 nan 8.370 nan 0.000 0.488 1260 K N -0.566 119.800 120.400 -0.057 0.000 2.432 1260 K HA 0.081 4.401 4.320 -0.000 0.000 0.196 1260 K C 0.573 177.099 176.600 -0.123 0.000 1.038 1260 K CA -0.000 56.286 56.287 -0.002 0.000 0.986 1260 K CB -0.031 32.566 32.500 0.162 0.000 0.782 1260 K HN 0.278 nan 8.250 nan 0.000 0.485 1261 M N 1.196 120.513 119.600 -0.472 0.000 2.250 1261 M HA -0.077 4.403 4.480 -0.000 0.000 0.337 1261 M C 0.194 176.374 176.300 -0.200 0.000 1.161 1261 M CA 0.731 55.627 55.300 -0.674 0.000 1.088 1261 M CB 0.081 32.294 32.600 -0.645 0.000 1.639 1261 M HN 0.069 nan 8.290 nan 0.000 0.447 1262 N N 3.506 122.174 118.700 -0.054 0.000 2.558 1262 N HA 0.268 5.008 4.740 -0.000 0.000 0.233 1262 N C 0.047 175.568 175.510 0.018 0.000 1.038 1262 N CA -0.366 52.699 53.050 0.025 0.000 0.934 1262 N CB 0.513 39.055 38.487 0.092 0.000 1.175 1262 N HN 0.635 nan 8.380 nan 0.000 0.512 1263 L N 2.151 123.372 121.223 -0.004 0.000 2.627 1263 L HA 0.291 4.631 4.340 -0.000 0.000 0.232 1263 L C 0.958 177.851 176.870 0.038 0.000 1.150 1263 L CA -0.312 54.534 54.840 0.011 0.000 0.917 1263 L CB -0.339 41.715 42.059 -0.008 0.000 1.104 1263 L HN 0.427 nan 8.230 nan 0.000 0.445 1264 A N 0.878 123.724 122.820 0.044 0.000 2.271 1264 A HA 0.585 4.905 4.320 -0.000 0.000 0.288 1264 A C -2.088 175.537 177.584 0.069 0.000 1.094 1264 A CA -1.274 50.793 52.037 0.050 0.000 0.828 1264 A CB -0.048 18.976 19.000 0.041 0.000 1.091 1264 A HN -0.063 nan 8.150 nan 0.000 0.493 1265 P HA -0.001 nan 4.420 nan 0.000 0.271 1265 P C -0.538 176.803 177.300 0.068 0.000 1.244 1265 P CA -0.146 62.998 63.100 0.075 0.000 0.793 1265 P CB 0.182 31.917 31.700 0.058 0.000 0.984 1266 N N -1.081 117.656 118.700 0.062 0.000 2.725 1266 N HA -0.193 4.546 4.740 -0.000 0.000 0.251 1266 N C -0.277 175.276 175.510 0.071 0.000 1.031 1266 N CA 1.091 54.167 53.050 0.044 0.000 0.720 1266 N CB -0.859 37.641 38.487 0.021 0.000 0.930 1266 N HN 0.523 nan 8.380 nan 0.000 0.543 1267 Q N -0.157 119.717 119.800 0.124 0.000 2.433 1267 Q HA 0.599 4.939 4.340 -0.000 0.000 0.279 1267 Q C -2.305 173.831 176.000 0.227 0.000 1.105 1267 Q CA -1.454 54.433 55.803 0.140 0.000 0.815 1267 Q CB 2.284 31.098 28.738 0.127 0.000 1.403 1267 Q HN 0.020 nan 8.270 nan 0.000 0.435 1268 P HA 0.241 nan 4.420 nan 0.000 0.277 1268 P C -1.084 176.336 177.300 0.201 0.000 1.271 1268 P CA -0.413 62.839 63.100 0.253 0.000 0.795 1268 P CB 0.474 32.271 31.700 0.162 0.000 1.101 1269 A N 1.652 124.562 122.820 0.151 0.000 2.565 1269 A HA 0.034 4.354 4.320 -0.000 0.000 0.237 1269 A C 0.479 178.172 177.584 0.182 0.000 1.053 1269 A CA 0.186 52.230 52.037 0.012 0.000 0.755 1269 A CB -0.574 18.515 19.000 0.148 0.000 0.980 1269 A HN 0.398 nan 8.150 nan 0.000 0.506 1270 Q N 1.911 121.789 119.800 0.129 0.000 2.360 1270 Q HA 0.446 4.786 4.340 -0.000 0.000 0.254 1270 Q C -0.602 175.527 176.000 0.215 0.000 0.975 1270 Q CA 0.270 56.222 55.803 0.248 0.000 0.912 1270 Q CB 1.091 29.898 28.738 0.116 0.000 1.212 1270 Q HN 0.645 nan 8.270 nan 0.000 0.452 1271 I N 2.987 123.744 120.570 0.310 0.000 2.377 1271 I HA 0.313 4.483 4.170 -0.000 0.000 0.293 1271 I C -0.377 175.741 176.117 0.002 0.000 0.987 1271 I CA -1.144 60.245 61.300 0.147 0.000 1.185 1271 I CB 1.409 39.523 38.000 0.189 0.000 1.341 1271 I HN 0.282 nan 8.210 nan 0.000 0.455 1272 L N 6.281 127.477 121.223 -0.046 0.000 2.287 1272 L HA 0.343 4.683 4.340 -0.000 0.000 0.287 1272 L C 0.775 177.569 176.870 -0.128 0.000 1.022 1272 L CA -0.083 54.704 54.840 -0.089 0.000 0.814 1272 L CB 1.029 43.084 42.059 -0.006 0.000 1.217 1272 L HN 0.645 nan 8.230 nan 0.000 0.420 1273 D N 2.442 122.684 120.400 -0.263 0.000 2.149 1273 D HA -0.068 4.572 4.640 -0.000 0.000 0.201 1273 D C 0.449 176.772 176.300 0.037 0.000 0.972 1273 D CA 0.815 54.749 54.000 -0.110 0.000 0.835 1273 D CB -0.021 40.739 40.800 -0.067 0.000 0.966 1273 D HN 0.380 nan 8.370 nan 0.000 0.476 1274 C N -0.075 119.248 119.300 0.040 0.000 3.082 1274 C HA 0.727 5.187 4.460 -0.000 0.000 0.324 1274 C C -1.940 173.095 174.990 0.076 0.000 1.210 1274 C CA -0.863 58.163 59.018 0.014 0.000 1.366 1274 C CB 0.442 28.173 27.740 -0.016 0.000 1.756 1274 C HN 0.414 nan 8.230 nan 0.000 0.485 1275 Y N 2.671 122.942 120.300 -0.048 0.000 2.588 1275 Y HA 0.861 5.411 4.550 -0.000 0.000 0.343 1275 Y C -1.158 174.688 175.900 -0.090 0.000 1.065 1275 Y CA -1.684 56.379 58.100 -0.062 0.000 1.038 1275 Y CB 0.505 38.927 38.460 -0.064 0.000 1.297 1275 Y HN 0.445 nan 8.280 nan 0.000 0.467 1276 I N 3.481 124.129 120.570 0.129 0.000 2.301 1276 I HA 0.159 4.329 4.170 -0.000 0.000 0.292 1276 I C 1.521 177.713 176.117 0.124 0.000 1.046 1276 I CA -0.039 61.276 61.300 0.025 0.000 1.282 1276 I CB 0.392 38.411 38.000 0.031 0.000 1.409 1276 I HN 0.938 nan 8.210 nan 0.000 0.484 1277 N N 3.755 122.451 118.700 -0.005 0.000 2.073 1277 N HA -0.320 4.419 4.740 -0.000 0.000 0.199 1277 N C 1.833 177.366 175.510 0.038 0.000 1.023 1277 N CA 2.439 55.524 53.050 0.059 0.000 0.880 1277 N CB 0.299 38.696 38.487 -0.150 0.000 1.052 1277 N HN 0.740 nan 8.380 nan 0.000 0.449 1278 S N -0.027 115.703 115.700 0.050 0.000 2.382 1278 S HA -0.115 4.355 4.470 -0.000 0.000 0.228 1278 S C 1.652 176.291 174.600 0.065 0.000 1.027 1278 S CA 1.116 59.378 58.200 0.104 0.000 0.991 1278 S CB -0.362 62.952 63.200 0.190 0.000 0.823 1278 S HN 0.450 nan 8.310 nan 0.000 0.469 1279 E N 0.505 120.738 120.200 0.056 0.000 2.107 1279 E HA -0.016 4.334 4.350 -0.000 0.000 0.191 1279 E C 2.158 178.734 176.600 -0.040 0.000 0.982 1279 E CA 0.940 57.360 56.400 0.035 0.000 0.809 1279 E CB -0.240 29.485 29.700 0.043 0.000 0.756 1279 E HN 0.454 nan 8.360 nan 0.000 0.459 1280 M N 1.085 120.636 119.600 -0.081 0.000 2.132 1280 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 1280 M C 2.038 178.191 176.300 -0.245 0.000 1.065 1280 M CA 1.446 56.600 55.300 -0.242 0.000 1.122 1280 M CB -0.322 31.972 32.600 -0.510 0.000 1.365 1280 M HN 0.133 nan 8.290 nan 0.000 0.411 1281 L N 0.129 121.171 121.223 -0.302 0.000 2.083 1281 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 1281 L C 2.449 179.059 176.870 -0.434 0.000 1.083 1281 L CA 1.419 55.957 54.840 -0.503 0.000 0.752 1281 L CB -0.834 40.625 42.059 -1.000 0.000 0.899 1281 L HN 0.300 nan 8.230 nan 0.000 0.433 1282 E N 0.866 120.922 120.200 -0.239 0.000 2.015 1282 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 1282 E C 2.225 178.822 176.600 -0.006 0.000 0.991 1282 E CA 1.483 57.918 56.400 0.059 0.000 0.802 1282 E CB -0.061 29.735 29.700 0.159 0.000 0.759 1282 E HN 0.119 nan 8.360 nan 0.000 0.447 1283 R N -0.793 119.677 120.500 -0.049 0.000 2.096 1283 R HA -0.154 4.186 4.340 -0.000 0.000 0.240 1283 R C 2.407 178.666 176.300 -0.067 0.000 1.139 1283 R CA 2.119 58.184 56.100 -0.057 0.000 0.952 1283 R CB -0.410 29.839 30.300 -0.084 0.000 0.854 1283 R HN 0.281 nan 8.270 nan 0.000 0.436 1284 M N 0.285 119.822 119.600 -0.106 0.000 2.229 1284 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 1284 M C 1.890 178.135 176.300 -0.092 0.000 1.063 1284 M CA 1.878 57.119 55.300 -0.098 0.000 1.114 1284 M CB -0.065 32.456 32.600 -0.131 0.000 1.387 1284 M HN 0.183 nan 8.290 nan 0.000 0.420 1285 S N 0.261 115.912 115.700 -0.082 0.000 2.442 1285 S HA -0.166 4.304 4.470 -0.000 0.000 0.236 1285 S C 1.313 175.868 174.600 -0.076 0.000 1.007 1285 S CA 1.263 59.424 58.200 -0.065 0.000 0.965 1285 S CB -0.808 62.423 63.200 0.052 0.000 0.773 1285 S HN 0.752 nan 8.310 nan 0.000 0.504 1286 K N 0.395 120.764 120.400 -0.052 0.000 2.896 1286 K HA 0.484 4.804 4.320 -0.000 0.000 0.210 1286 K C -0.718 175.853 176.600 -0.049 0.000 1.116 1286 K CA -0.428 55.828 56.287 -0.052 0.000 1.050 1286 K CB 0.737 33.221 32.500 -0.026 0.000 0.812 1286 K HN 0.044 nan 8.250 nan 0.000 0.462 1287 S N 0.078 115.747 115.700 -0.051 0.000 2.503 1287 S HA 0.393 4.863 4.470 -0.000 0.000 0.301 1287 S C 1.009 175.591 174.600 -0.031 0.000 1.087 1287 S CA -0.669 57.525 58.200 -0.011 0.000 1.042 1287 S CB 1.713 64.924 63.200 0.019 0.000 1.043 1287 S HN 0.464 nan 8.310 nan 0.000 0.489 1288 G N 1.779 110.587 108.800 0.013 0.000 2.459 1288 G HA2 -0.015 3.944 3.960 -0.000 0.000 0.217 1288 G HA3 -0.015 3.944 3.960 -0.000 0.000 0.217 1288 G C -0.169 174.479 174.900 -0.421 0.000 1.183 1288 G CA 1.120 46.148 45.100 -0.120 0.000 0.776 1288 G HN 0.523 nan 8.290 nan 0.000 0.552 1289 F N -0.632 119.400 119.950 0.137 0.000 2.569 1289 F HA 0.617 5.144 4.527 -0.000 0.000 0.312 1289 F C 0.374 176.174 175.800 0.001 0.000 1.109 1289 F CA -1.122 56.890 58.000 0.019 0.000 0.919 1289 F CB 2.062 41.059 39.000 -0.006 0.000 1.211 1289 F HN 0.153 nan 8.300 nan 0.000 0.446 1290 G N 1.629 110.424 108.800 -0.008 0.000 2.372 1290 G HA2 0.544 4.504 3.960 -0.000 0.000 0.323 1290 G HA3 0.544 4.504 3.960 -0.000 0.000 0.323 1290 G C -1.955 172.904 174.900 -0.069 0.000 1.152 1290 G CA -0.416 44.705 45.100 0.035 0.000 0.906 1290 G HN 0.498 nan 8.290 nan 0.000 0.460 1291 Y N 0.390 120.774 120.300 0.141 0.000 2.352 1291 Y HA 0.506 5.056 4.550 -0.000 0.000 0.339 1291 Y C 0.283 176.156 175.900 -0.045 0.000 0.992 1291 Y CA -0.779 57.417 58.100 0.160 0.000 1.100 1291 Y CB 2.755 41.403 38.460 0.313 0.000 1.192 1291 Y HN 0.497 nan 8.280 nan 0.000 0.458 1292 Q N 3.283 123.188 119.800 0.175 0.000 2.589 1292 Q HA 0.358 4.698 4.340 -0.000 0.000 0.245 1292 Q C -1.970 174.085 176.000 0.092 0.000 0.931 1292 Q CA -0.314 55.433 55.803 -0.094 0.000 0.730 1292 Q CB 0.625 29.282 28.738 -0.135 0.000 1.315 1292 Q HN 0.668 nan 8.270 nan 0.000 0.469 1293 L N 2.115 123.380 121.223 0.069 0.000 2.912 1293 L HA 0.408 4.748 4.340 -0.000 0.000 0.240 1293 L C -0.151 176.700 176.870 -0.031 0.000 1.262 1293 L CA 0.101 55.034 54.840 0.154 0.000 1.058 1293 L CB -0.309 41.828 42.059 0.131 0.000 1.383 1293 L HN 0.533 nan 8.230 nan 0.000 0.512 1294 S N 1.493 117.181 115.700 -0.020 0.000 2.552 1294 S HA 0.174 4.644 4.470 -0.000 0.000 0.289 1294 S C 0.669 175.211 174.600 -0.097 0.000 1.304 1294 S CA 0.150 58.349 58.200 -0.002 0.000 1.063 1294 S CB 0.141 63.407 63.200 0.111 0.000 0.848 1294 S HN 0.391 nan 8.310 nan 0.000 0.499 1295 K N 2.363 122.636 120.400 -0.213 0.000 2.920 1295 K HA 0.427 4.747 4.320 -0.000 0.000 0.175 1295 K C -1.196 175.343 176.600 -0.101 0.000 1.099 1295 K CA -0.535 55.540 56.287 -0.353 0.000 0.939 1295 K CB 0.096 31.954 32.500 -1.070 0.000 1.148 1295 K HN 0.191 nan 8.250 nan 0.000 0.613 1296 L N 1.642 122.829 121.223 -0.061 0.000 2.452 1296 L HA 0.244 4.584 4.340 -0.000 0.000 0.267 1296 L C 0.548 177.408 176.870 -0.017 0.000 1.188 1296 L CA -0.049 54.700 54.840 -0.151 0.000 0.821 1296 L CB 0.391 42.241 42.059 -0.349 0.000 1.102 1296 L HN 0.716 nan 8.230 nan 0.000 0.470 1297 N N 1.610 120.349 118.700 0.065 0.000 2.441 1297 N HA -0.088 4.652 4.740 -0.000 0.000 0.251 1297 N C 0.791 176.284 175.510 -0.029 0.000 1.242 1297 N CA 0.357 53.429 53.050 0.036 0.000 0.898 1297 N CB 0.701 39.206 38.487 0.028 0.000 1.100 1297 N HN 0.661 nan 8.380 nan 0.000 0.443 1298 Q N 3.066 122.836 119.800 -0.049 0.000 2.173 1298 Q HA -0.259 4.081 4.340 -0.000 0.000 0.208 1298 Q C 1.610 177.534 176.000 -0.128 0.000 0.989 1298 Q CA 2.322 58.087 55.803 -0.062 0.000 0.872 1298 Q CB -0.004 28.706 28.738 -0.047 0.000 0.909 1298 Q HN 0.770 nan 8.270 nan 0.000 0.420 1299 K N -1.162 119.085 120.400 -0.255 0.000 2.152 1299 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 1299 K C 1.011 177.411 176.600 -0.333 0.000 1.048 1299 K CA 1.726 57.803 56.287 -0.350 0.000 0.933 1299 K CB -0.382 31.801 32.500 -0.528 0.000 0.721 1299 K HN 0.312 nan 8.250 nan 0.000 0.447 1300 Y N 1.329 121.573 120.300 -0.094 0.000 2.511 1300 Y HA 0.281 4.831 4.550 -0.000 0.000 0.279 1300 Y C 0.554 176.383 175.900 -0.118 0.000 1.157 1300 Y CA -0.220 57.814 58.100 -0.111 0.000 1.300 1300 Y CB 0.145 38.433 38.460 -0.286 0.000 1.052 1300 Y HN -0.091 nan 8.280 nan 0.000 0.529 1301 L N 0.281 121.507 121.223 0.006 0.000 2.307 1301 L HA 0.381 4.721 4.340 -0.000 0.000 0.284 1301 L C 0.551 177.426 176.870 0.009 0.000 1.023 1301 L CA -0.129 54.707 54.840 -0.008 0.000 0.810 1301 L CB 2.053 44.100 42.059 -0.020 0.000 1.231 1301 L HN 0.055 nan 8.230 nan 0.000 0.423 1302 Q N 1.674 121.487 119.800 0.022 0.000 2.006 1302 Q HA 0.289 4.629 4.340 -0.000 0.000 0.158 1302 Q C 0.885 176.910 176.000 0.042 0.000 0.530 1302 Q CA -0.170 55.650 55.803 0.029 0.000 0.784 1302 Q CB 0.750 29.508 28.738 0.034 0.000 1.031 1302 Q HN 0.552 nan 8.270 nan 0.000 0.368 1303 R N -0.481 120.040 120.500 0.035 0.000 2.541 1303 R HA 0.413 4.753 4.340 -0.000 0.000 0.332 1303 R C -0.560 175.783 176.300 0.071 0.000 0.951 1303 R CA -0.002 56.143 56.100 0.075 0.000 1.136 1303 R CB 1.671 31.970 30.300 -0.003 0.000 1.449 1303 R HN -0.010 nan 8.270 nan 0.000 0.531 1304 S N 1.809 117.512 115.700 0.005 0.000 2.439 1304 S HA 0.327 4.797 4.470 -0.000 0.000 0.282 1304 S C -0.043 174.535 174.600 -0.036 0.000 1.170 1304 S CA -0.330 57.847 58.200 -0.038 0.000 1.054 1304 S CB 0.905 64.061 63.200 -0.073 0.000 0.956 1304 S HN 0.137 nan 8.310 nan 0.000 0.490 1305 L N 2.840 124.058 121.223 -0.010 0.000 2.431 1305 L HA 0.439 4.779 4.340 -0.000 0.000 0.260 1305 L C 0.703 177.594 176.870 0.034 0.000 1.098 1305 L CA -0.630 54.174 54.840 -0.060 0.000 0.800 1305 L CB 0.823 42.810 42.059 -0.121 0.000 1.210 1305 L HN 0.563 nan 8.230 nan 0.000 0.465 1306 E N -0.563 119.827 120.200 0.317 0.000 2.250 1306 E HA 0.122 4.472 4.350 -0.000 0.000 0.265 1306 E C -0.026 176.540 176.600 -0.056 0.000 1.033 1306 E CA -0.460 55.958 56.400 0.029 0.000 0.888 1306 E CB 0.940 30.647 29.700 0.012 0.000 1.151 1306 E HN 0.366 nan 8.360 nan 0.000 0.412 1307 Y N 0.573 120.917 120.300 0.074 0.000 2.207 1307 Y HA -0.263 4.287 4.550 -0.000 0.000 0.287 1307 Y C 2.730 178.659 175.900 0.048 0.000 1.156 1307 Y CA 1.812 59.959 58.100 0.080 0.000 1.182 1307 Y CB -0.273 38.241 38.460 0.090 0.000 0.979 1307 Y HN 0.624 nan 8.280 nan 0.000 0.521 1308 T N -3.123 111.481 114.554 0.083 0.000 2.833 1308 T HA -0.206 4.143 4.350 -0.000 0.000 0.269 1308 T C 1.514 176.192 174.700 -0.037 0.000 1.054 1308 T CA 1.612 63.696 62.100 -0.027 0.000 1.135 1308 T CB -0.470 68.289 68.868 -0.182 0.000 0.869 1308 T HN 0.396 nan 8.240 nan 0.000 0.466 1309 H N 1.719 120.750 119.070 -0.066 0.000 2.293 1309 H HA 0.102 4.658 4.556 -0.000 0.000 0.300 1309 H C 2.413 177.837 175.328 0.161 0.000 1.082 1309 H CA 1.507 57.468 56.048 -0.145 0.000 1.308 1309 H CB -0.474 29.029 29.762 -0.432 0.000 1.375 1309 H HN 0.347 nan 8.280 nan 0.000 0.495 1310 L N 0.581 121.957 121.223 0.255 0.000 2.046 1310 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 1310 L C 2.383 179.402 176.870 0.249 0.000 1.077 1310 L CA 1.299 56.286 54.840 0.244 0.000 0.747 1310 L CB -0.501 41.676 42.059 0.195 0.000 0.896 1310 L HN 0.271 nan 8.230 nan 0.000 0.432 1311 E N 0.262 120.593 120.200 0.219 0.000 2.204 1311 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 1311 E C 2.344 179.024 176.600 0.133 0.000 0.990 1311 E CA 0.876 57.377 56.400 0.169 0.000 0.821 1311 E CB -0.066 29.709 29.700 0.124 0.000 0.750 1311 E HN 0.496 nan 8.360 nan 0.000 0.477 1312 L N -0.236 121.081 121.223 0.156 0.000 2.109 1312 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 1312 L C 2.410 179.335 176.870 0.092 0.000 1.086 1312 L CA 1.034 55.937 54.840 0.104 0.000 0.760 1312 L CB -0.318 41.836 42.059 0.158 0.000 0.910 1312 L HN 0.193 nan 8.230 nan 0.000 0.437 1313 G N -1.032 107.884 108.800 0.194 0.000 2.813 1313 G HA2 0.089 4.049 3.960 -0.000 0.000 0.209 1313 G HA3 0.089 4.049 3.960 -0.000 0.000 0.209 1313 G C 1.484 176.615 174.900 0.386 0.000 1.150 1313 G CA 0.658 45.887 45.100 0.215 0.000 0.785 1313 G HN 0.414 nan 8.290 nan 0.000 0.535 1314 A N 0.020 123.056 122.820 0.361 0.000 2.063 1314 A HA 0.122 4.442 4.320 -0.000 0.000 0.211 1314 A C 2.189 180.053 177.584 0.465 0.000 1.177 1314 A CA 1.179 53.529 52.037 0.522 0.000 0.759 1314 A CB -0.525 18.717 19.000 0.405 0.000 0.857 1314 A HN 0.758 nan 8.150 nan 0.000 0.468 1315 C N -1.956 117.474 119.300 0.216 0.000 2.673 1315 C HA 0.533 4.992 4.460 -0.000 0.000 0.274 1315 C C 1.595 176.500 174.990 -0.143 0.000 1.276 1315 C CA -0.015 59.073 59.018 0.118 0.000 1.701 1315 C CB -1.143 26.585 27.740 -0.021 0.000 1.836 1315 C HN 1.588 nan 8.230 nan 0.000 0.596 1316 G N 0.907 109.435 108.800 -0.453 0.000 2.171 1316 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.238 1316 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.238 1316 G C -0.008 174.439 174.900 -0.755 0.000 1.039 1316 G CA 0.538 44.829 45.100 -1.348 0.000 0.759 1316 G HN 0.843 nan 8.290 nan 0.000 0.501 1317 T N -0.517 113.772 114.554 -0.442 0.000 2.938 1317 T HA 0.693 5.043 4.350 -0.000 0.000 0.285 1317 T C 0.430 174.880 174.700 -0.416 0.000 1.028 1317 T CA -0.833 61.064 62.100 -0.338 0.000 1.005 1317 T CB 0.726 69.472 68.868 -0.203 0.000 1.157 1317 T HN 0.198 nan 8.240 nan 0.000 0.550 1318 I N 3.599 123.878 120.570 -0.485 0.000 2.325 1318 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 1318 I C -2.242 173.664 176.117 -0.352 0.000 1.019 1318 I CA -2.755 58.247 61.300 -0.496 0.000 1.302 1318 I CB 0.971 38.635 38.000 -0.561 0.000 1.401 1318 I HN 0.415 nan 8.210 nan 0.000 0.485 1319 P HA 0.163 nan 4.420 nan 0.000 0.282 1319 P C -0.544 176.336 177.300 -0.699 0.000 1.262 1319 P CA -0.206 62.530 63.100 -0.607 0.000 0.773 1319 P CB 0.779 31.888 31.700 -0.985 0.000 0.879 1320 V N 5.514 125.153 119.914 -0.458 0.000 2.275 1320 V HA 0.322 4.442 4.120 -0.000 0.000 0.272 1320 V C -0.195 175.964 176.094 0.108 0.000 1.028 1320 V CA -0.336 61.784 62.300 -0.301 0.000 0.810 1320 V CB -0.691 30.831 31.823 -0.501 0.000 1.043 1320 V HN 0.334 nan 8.190 nan 0.000 0.453 1321 F N 1.354 121.287 119.950 -0.028 0.000 2.450 1321 F HA 0.438 4.965 4.527 -0.000 0.000 0.328 1321 F C 0.363 176.427 175.800 0.440 0.000 1.068 1321 F CA -2.252 55.864 58.000 0.195 0.000 1.007 1321 F CB 0.882 39.953 39.000 0.118 0.000 1.251 1321 F HN 0.454 nan 8.300 nan 0.000 0.492 1322 W N 3.897 125.508 121.300 0.518 0.000 2.356 1322 W HA 0.101 4.761 4.660 -0.000 0.000 0.311 1322 W C 1.198 178.026 176.519 0.514 0.000 1.328 1322 W CA -0.409 57.187 57.345 0.419 0.000 1.251 1322 W CB 0.921 30.534 29.460 0.255 0.000 1.280 1322 W HN 0.714 nan 8.180 nan 0.000 0.524 1323 K N 2.672 123.166 120.400 0.156 0.000 2.034 1323 K HA -0.281 4.039 4.320 -0.000 0.000 0.214 1323 K C 2.254 178.766 176.600 -0.147 0.000 1.051 1323 K CA 2.358 58.651 56.287 0.010 0.000 0.931 1323 K CB -0.373 32.032 32.500 -0.159 0.000 0.715 1323 K HN 0.473 nan 8.250 nan 0.000 0.446 1324 S N -0.460 115.145 115.700 -0.160 0.000 2.370 1324 S HA -0.150 4.319 4.470 -0.000 0.000 0.226 1324 S C 1.771 176.470 174.600 0.165 0.000 1.033 1324 S CA 2.078 60.313 58.200 0.059 0.000 1.011 1324 S CB -0.473 62.892 63.200 0.276 0.000 0.852 1324 S HN 0.506 nan 8.310 nan 0.000 0.457 1325 T N 0.597 115.384 114.554 0.388 0.000 2.788 1325 T HA -0.020 4.330 4.350 -0.000 0.000 0.268 1325 T C 1.772 176.529 174.700 0.095 0.000 1.044 1325 T CA 1.323 63.578 62.100 0.258 0.000 1.139 1325 T CB -0.790 68.286 68.868 0.346 0.000 0.867 1325 T HN 0.567 nan 8.240 nan 0.000 0.454 1326 G N 0.654 109.452 108.800 -0.005 0.000 2.572 1326 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.216 1326 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.216 1326 G C 1.349 175.987 174.900 -0.437 0.000 1.133 1326 G CA 0.164 45.028 45.100 -0.393 0.000 0.791 1326 G HN 0.494 nan 8.290 nan 0.000 0.538 1327 E N -0.023 119.992 120.200 -0.309 0.000 2.340 1327 E HA 0.026 4.376 4.350 -0.000 0.000 0.194 1327 E C 1.640 178.177 176.600 -0.105 0.000 0.996 1327 E CA 0.149 56.413 56.400 -0.228 0.000 0.869 1327 E CB 0.072 29.654 29.700 -0.197 0.000 0.835 1327 E HN 0.495 nan 8.360 nan 0.000 0.493 1328 N N 0.047 118.711 118.700 -0.059 0.000 2.299 1328 N HA 0.111 4.851 4.740 -0.000 0.000 0.187 1328 N C -0.146 175.362 175.510 -0.004 0.000 1.099 1328 N CA -0.130 52.907 53.050 -0.021 0.000 0.867 1328 N CB 0.661 39.147 38.487 -0.001 0.000 0.974 1328 N HN -0.043 nan 8.380 nan 0.000 0.477 1329 L N 1.371 122.593 121.223 -0.001 0.000 2.325 1329 L HA 0.359 4.699 4.340 -0.000 0.000 0.279 1329 L C -0.129 176.780 176.870 0.066 0.000 1.054 1329 L CA -0.554 54.304 54.840 0.031 0.000 0.804 1329 L CB 1.505 43.578 42.059 0.022 0.000 1.200 1329 L HN -0.110 nan 8.230 nan 0.000 0.436 1330 K N 2.418 122.882 120.400 0.105 0.000 2.159 1330 K HA 0.334 4.654 4.320 -0.000 0.000 0.266 1330 K C -0.664 176.089 176.600 0.255 0.000 0.975 1330 K CA -0.747 55.634 56.287 0.157 0.000 0.865 1330 K CB 1.658 34.226 32.500 0.113 0.000 1.087 1330 K HN 0.196 nan 8.250 nan 0.000 0.446 1331 F N 3.172 123.182 119.950 0.100 0.000 2.572 1331 F HA 0.004 4.531 4.527 -0.000 0.000 0.370 1331 F C 1.700 177.581 175.800 0.136 0.000 1.103 1331 F CA -0.159 57.898 58.000 0.095 0.000 1.286 1331 F CB 0.577 39.591 39.000 0.022 0.000 1.105 1331 F HN 0.559 nan 8.300 nan 0.000 0.583 1332 R N 3.203 123.528 120.500 -0.292 0.000 2.105 1332 R HA -0.111 4.229 4.340 -0.000 0.000 0.239 1332 R C 1.496 177.482 176.300 -0.524 0.000 1.135 1332 R CA 2.065 57.872 56.100 -0.488 0.000 0.967 1332 R CB -0.257 29.634 30.300 -0.682 0.000 0.861 1332 R HN 0.644 nan 8.270 nan 0.000 0.442 1333 V N 1.603 120.999 119.914 -0.864 0.000 2.239 1333 V HA -0.201 3.919 4.120 -0.000 0.000 0.242 1333 V C 1.817 177.843 176.094 -0.115 0.000 1.038 1333 V CA 2.201 64.231 62.300 -0.450 0.000 1.002 1333 V CB -0.541 31.038 31.823 -0.407 0.000 0.641 1333 V HN 0.557 nan 8.190 nan 0.000 0.449 1334 D N -1.743 118.715 120.400 0.096 0.000 2.367 1334 D HA -0.024 4.616 4.640 -0.000 0.000 0.207 1334 D C 1.027 177.411 176.300 0.140 0.000 1.034 1334 D CA 0.381 54.472 54.000 0.152 0.000 0.861 1334 D CB -0.450 40.496 40.800 0.244 0.000 0.943 1334 D HN 0.472 nan 8.370 nan 0.000 0.515 1335 N N 0.193 118.990 118.700 0.162 0.000 2.862 1335 N HA -0.134 4.606 4.740 -0.000 0.000 0.248 1335 N C -0.796 174.815 175.510 0.168 0.000 1.116 1335 N CA 0.987 54.119 53.050 0.136 0.000 0.727 1335 N CB -1.382 37.145 38.487 0.068 0.000 1.083 1335 N HN 0.566 nan 8.380 nan 0.000 0.555 1336 T N -2.144 112.570 114.554 0.267 0.000 2.936 1336 T HA 0.643 4.992 4.350 -0.000 0.000 0.282 1336 T C -2.770 172.073 174.700 0.239 0.000 1.003 1336 T CA -1.584 60.642 62.100 0.210 0.000 1.005 1336 T CB 2.153 71.130 68.868 0.182 0.000 1.097 1336 T HN -0.134 nan 8.240 nan 0.000 0.532 1337 P HA 0.181 nan 4.420 nan 0.000 0.268 1337 P C 1.009 178.404 177.300 0.159 0.000 1.204 1337 P CA -0.291 62.857 63.100 0.079 0.000 0.768 1337 P CB 0.331 32.014 31.700 -0.029 0.000 0.842 1338 L N 1.885 123.190 121.223 0.137 0.000 2.127 1338 L HA -0.199 4.140 4.340 -0.000 0.000 0.211 1338 L C 2.088 179.045 176.870 0.145 0.000 1.089 1338 L CA 2.170 57.176 54.840 0.277 0.000 0.757 1338 L CB -1.376 40.892 42.059 0.349 0.000 0.899 1338 L HN 0.477 nan 8.230 nan 0.000 0.434 1339 T N -3.279 111.127 114.554 -0.247 0.000 2.962 1339 T HA -0.090 4.260 4.350 -0.000 0.000 0.270 1339 T C 1.431 176.038 174.700 -0.155 0.000 1.088 1339 T CA 0.822 62.645 62.100 -0.460 0.000 1.127 1339 T CB -0.443 67.916 68.868 -0.849 0.000 0.883 1339 T HN 0.401 nan 8.240 nan 0.000 0.493 1340 S N 0.838 116.484 115.700 -0.091 0.000 3.324 1340 S HA 0.349 4.819 4.470 -0.000 0.000 0.229 1340 S C -0.546 173.872 174.600 -0.304 0.000 1.417 1340 S CA -0.829 57.280 58.200 -0.153 0.000 1.211 1340 S CB -0.820 62.283 63.200 -0.162 0.000 1.157 1340 S HN 0.664 nan 8.310 nan 0.000 0.491 1341 H N -0.390 118.596 119.070 -0.139 0.000 3.046 1341 H HA 0.388 4.944 4.556 -0.000 0.000 0.361 1341 H C -1.542 173.650 175.328 -0.227 0.000 1.235 1341 H CA -0.746 55.176 56.048 -0.211 0.000 1.146 1341 H CB 1.277 30.806 29.762 -0.389 0.000 1.859 1341 H HN 0.285 nan 8.280 nan 0.000 0.548 1342 D N 0.690 121.050 120.400 -0.067 0.000 2.558 1342 D HA 0.090 4.729 4.640 -0.000 0.000 0.221 1342 D C 0.588 176.780 176.300 -0.181 0.000 1.143 1342 D CA 0.027 53.971 54.000 -0.093 0.000 1.010 1342 D CB 0.278 41.048 40.800 -0.050 0.000 1.068 1342 D HN 0.507 nan 8.370 nan 0.000 0.511 1343 S N 1.560 117.053 115.700 -0.345 0.000 2.501 1343 S HA 0.191 4.661 4.470 -0.000 0.000 0.220 1343 S C 1.905 176.329 174.600 -0.293 0.000 0.997 1343 S CA 0.333 58.214 58.200 -0.531 0.000 0.919 1343 S CB 0.060 62.603 63.200 -1.096 0.000 0.778 1343 S HN 0.638 nan 8.310 nan 0.000 0.523 1344 G N 1.052 109.705 108.800 -0.244 0.000 2.176 1344 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.253 1344 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.253 1344 G C 0.032 174.732 174.900 -0.334 0.000 0.979 1344 G CA 0.171 45.139 45.100 -0.220 0.000 0.641 1344 G HN 0.580 nan 8.290 nan 0.000 0.530 1345 I N 1.582 121.858 120.570 -0.490 0.000 2.474 1345 I HA 0.309 4.479 4.170 -0.000 0.000 0.287 1345 I C 0.906 176.541 176.117 -0.803 0.000 1.048 1345 I CA -0.499 60.327 61.300 -0.789 0.000 1.383 1345 I CB 0.993 38.270 38.000 -1.205 0.000 1.412 1345 I HN -0.005 nan 8.210 nan 0.000 0.531 1346 I N 5.954 126.140 120.570 -0.640 0.000 2.308 1346 I HA 0.056 4.226 4.170 -0.000 0.000 0.293 1346 I C -0.700 175.195 176.117 -0.368 0.000 1.078 1346 I CA -0.223 60.846 61.300 -0.384 0.000 1.292 1346 I CB 0.161 38.041 38.000 -0.201 0.000 1.423 1346 I HN 0.482 nan 8.210 nan 0.000 0.493 1347 W N 6.949 128.221 121.300 -0.048 0.000 2.507 1347 W HA 0.207 4.867 4.660 -0.000 0.000 0.334 1347 W C 0.275 176.792 176.519 -0.003 0.000 1.165 1347 W CA -0.715 56.635 57.345 0.008 0.000 1.460 1347 W CB 0.098 29.539 29.460 -0.031 0.000 1.404 1347 W HN 0.313 nan 8.180 nan 0.000 0.435 1348 F N 4.945 124.949 119.950 0.091 0.000 2.590 1348 F HA -0.028 4.499 4.527 -0.000 0.000 0.389 1348 F C 0.460 176.130 175.800 -0.217 0.000 1.049 1348 F CA 0.479 58.441 58.000 -0.064 0.000 1.199 1348 F CB 0.232 39.250 39.000 0.031 0.000 1.058 1348 F HN 0.159 nan 8.300 nan 0.000 0.556 1349 D N 5.587 125.730 120.400 -0.428 0.000 2.381 1349 D HA 0.094 4.733 4.640 -0.000 0.000 0.235 1349 D C 0.690 176.750 176.300 -0.400 0.000 1.068 1349 D CA -0.209 53.576 54.000 -0.359 0.000 0.832 1349 D CB 1.358 42.010 40.800 -0.247 0.000 1.101 1349 D HN 0.815 nan 8.370 nan 0.000 0.515 1350 E N 2.510 122.555 120.200 -0.257 0.000 2.204 1350 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 1350 E C 0.832 177.425 176.600 -0.011 0.000 0.989 1350 E CA 0.783 57.179 56.400 -0.008 0.000 0.824 1350 E CB 0.294 30.075 29.700 0.135 0.000 0.756 1350 E HN 0.519 nan 8.360 nan 0.000 0.477 1351 N N -0.269 118.393 118.700 -0.063 0.000 2.446 1351 N HA -0.077 4.662 4.740 -0.000 0.000 0.179 1351 N C 0.045 175.531 175.510 -0.041 0.000 1.054 1351 N CA 0.280 53.314 53.050 -0.026 0.000 0.905 1351 N CB 0.394 38.863 38.487 -0.030 0.000 0.973 1351 N HN -0.050 nan 8.380 nan 0.000 0.448 1352 D N 0.134 120.470 120.400 -0.107 0.000 2.849 1352 D HA 0.207 4.847 4.640 -0.000 0.000 0.314 1352 D C 0.667 176.837 176.300 -0.217 0.000 1.210 1352 D CA -0.170 53.765 54.000 -0.108 0.000 0.756 1352 D CB 0.115 40.863 40.800 -0.087 0.000 1.222 1352 D HN -0.026 nan 8.370 nan 0.000 0.521 1353 M N -0.212 119.223 119.600 -0.275 0.000 2.346 1353 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 1353 M C 1.550 177.544 176.300 -0.510 0.000 1.064 1353 M CA 1.271 56.282 55.300 -0.480 0.000 1.083 1353 M CB 0.131 32.501 32.600 -0.383 0.000 1.399 1353 M HN 0.230 nan 8.290 nan 0.000 0.435 1354 E N -0.073 119.909 120.200 -0.363 0.000 2.038 1354 E HA -0.165 4.184 4.350 -0.000 0.000 0.195 1354 E C 2.122 178.698 176.600 -0.040 0.000 1.000 1354 E CA 1.622 57.942 56.400 -0.134 0.000 0.803 1354 E CB -0.182 29.579 29.700 0.102 0.000 0.750 1354 E HN 0.387 nan 8.360 nan 0.000 0.448 1355 S N 0.459 116.120 115.700 -0.065 0.000 2.359 1355 S HA -0.200 4.270 4.470 -0.000 0.000 0.222 1355 S C 2.200 176.765 174.600 -0.058 0.000 1.038 1355 S CA 1.836 60.005 58.200 -0.052 0.000 1.051 1355 S CB -0.566 62.593 63.200 -0.068 0.000 0.944 1355 S HN 0.323 nan 8.310 nan 0.000 0.433 1356 T N 1.517 116.000 114.554 -0.118 0.000 2.699 1356 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 1356 T C 1.432 176.181 174.700 0.082 0.000 1.036 1356 T CA 1.449 63.489 62.100 -0.101 0.000 1.147 1356 T CB -0.456 68.200 68.868 -0.353 0.000 0.862 1356 T HN 0.394 nan 8.240 nan 0.000 0.446 1357 F N 1.967 121.919 119.950 0.003 0.000 2.234 1357 F HA 0.008 4.535 4.527 -0.000 0.000 0.299 1357 F C 2.262 178.056 175.800 -0.010 0.000 1.087 1357 F CA 0.813 58.842 58.000 0.049 0.000 1.340 1357 F CB -0.227 38.723 39.000 -0.083 0.000 1.031 1357 F HN 0.019 nan 8.300 nan 0.000 0.500 1358 E N 0.022 120.155 120.200 -0.111 0.000 2.150 1358 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 1358 E C 2.378 178.873 176.600 -0.175 0.000 0.985 1358 E CA 0.494 56.785 56.400 -0.181 0.000 0.814 1358 E CB -0.193 29.472 29.700 -0.059 0.000 0.752 1358 E HN 0.285 nan 8.360 nan 0.000 0.466 1359 R N 0.567 120.997 120.500 -0.116 0.000 2.073 1359 R HA -0.014 4.325 4.340 -0.000 0.000 0.229 1359 R C 2.342 178.579 176.300 -0.105 0.000 1.120 1359 R CA 0.422 56.473 56.100 -0.081 0.000 0.967 1359 R CB -0.573 29.694 30.300 -0.055 0.000 0.862 1359 R HN 0.211 nan 8.270 nan 0.000 0.436 1360 I N 1.086 121.535 120.570 -0.201 0.000 2.127 1360 I HA -0.297 3.873 4.170 -0.000 0.000 0.241 1360 I C 2.238 178.147 176.117 -0.347 0.000 1.075 1360 I CA 1.440 62.489 61.300 -0.419 0.000 1.334 1360 I CB -0.748 36.998 38.000 -0.424 0.000 1.040 1360 I HN 0.168 nan 8.210 nan 0.000 0.405 1361 K N 0.440 120.556 120.400 -0.473 0.000 2.026 1361 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 1361 K C 2.064 178.582 176.600 -0.136 0.000 1.048 1361 K CA 1.637 57.702 56.287 -0.370 0.000 0.929 1361 K CB -0.151 32.019 32.500 -0.550 0.000 0.713 1361 K HN 0.303 nan 8.250 nan 0.000 0.439 1362 E N 0.580 120.712 120.200 -0.113 0.000 2.049 1362 E HA -0.243 4.107 4.350 -0.000 0.000 0.198 1362 E C 1.795 178.422 176.600 0.046 0.000 1.007 1362 E CA 1.381 57.762 56.400 -0.031 0.000 0.809 1362 E CB 0.023 29.705 29.700 -0.031 0.000 0.749 1362 E HN 0.077 nan 8.360 nan 0.000 0.450 1363 L N 0.734 122.027 121.223 0.117 0.000 2.201 1363 L HA -0.068 4.272 4.340 -0.000 0.000 0.212 1363 L C 2.380 179.442 176.870 0.320 0.000 1.105 1363 L CA 1.261 56.249 54.840 0.247 0.000 0.775 1363 L CB -0.346 41.928 42.059 0.357 0.000 0.913 1363 L HN 0.026 nan 8.230 nan 0.000 0.440 1364 S N -1.121 114.762 115.700 0.305 0.000 2.547 1364 S HA -0.103 4.367 4.470 -0.000 0.000 0.235 1364 S C 1.977 176.629 174.600 0.087 0.000 0.980 1364 S CA 0.973 59.318 58.200 0.241 0.000 0.941 1364 S CB -0.235 63.084 63.200 0.199 0.000 0.763 1364 S HN 0.684 nan 8.310 nan 0.000 0.532 1365 S N 0.848 116.588 115.700 0.066 0.000 2.655 1365 S HA 0.105 4.575 4.470 -0.000 0.000 0.231 1365 S C 0.518 175.134 174.600 0.027 0.000 1.044 1365 S CA -0.108 58.110 58.200 0.029 0.000 0.910 1365 S CB -0.415 62.795 63.200 0.017 0.000 0.833 1365 S HN 0.252 nan 8.310 nan 0.000 0.581 1366 D N 2.034 122.462 120.400 0.046 0.000 2.470 1366 D HA 0.286 4.926 4.640 -0.000 0.000 0.226 1366 D C 1.114 177.456 176.300 0.071 0.000 1.196 1366 D CA -0.258 53.770 54.000 0.046 0.000 0.979 1366 D CB 0.175 41.001 40.800 0.044 0.000 1.059 1366 D HN 0.255 nan 8.370 nan 0.000 0.515 1367 R N 2.190 122.714 120.500 0.039 0.000 2.170 1367 R HA -0.189 4.151 4.340 -0.000 0.000 0.242 1367 R C 1.788 178.150 176.300 0.103 0.000 1.145 1367 R CA 1.286 57.413 56.100 0.045 0.000 0.984 1367 R CB -0.159 30.123 30.300 -0.031 0.000 0.869 1367 R HN 0.403 nan 8.270 nan 0.000 0.455 1368 A N 1.318 124.180 122.820 0.071 0.000 1.930 1368 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 1368 A C 2.116 179.747 177.584 0.077 0.000 1.175 1368 A CA 0.940 53.017 52.037 0.067 0.000 0.627 1368 A CB -0.337 18.689 19.000 0.043 0.000 0.815 1368 A HN 0.239 nan 8.150 nan 0.000 0.443 1369 L N -1.702 119.568 121.223 0.078 0.000 2.056 1369 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 1369 L C 2.249 179.162 176.870 0.072 0.000 1.078 1369 L CA 2.205 57.083 54.840 0.063 0.000 0.749 1369 L CB -0.909 41.186 42.059 0.059 0.000 0.901 1369 L HN 0.501 nan 8.230 nan 0.000 0.433 1370 Y N 0.086 120.374 120.300 -0.019 0.000 2.128 1370 Y HA -0.288 4.262 4.550 -0.000 0.000 0.284 1370 Y C 2.312 178.178 175.900 -0.056 0.000 1.154 1370 Y CA 2.231 60.297 58.100 -0.056 0.000 1.149 1370 Y CB -0.190 38.221 38.460 -0.082 0.000 0.976 1370 Y HN 0.300 nan 8.280 nan 0.000 0.505 1371 D N -0.490 120.011 120.400 0.168 0.000 2.269 1371 D HA -0.103 4.537 4.640 -0.000 0.000 0.208 1371 D C 2.189 178.532 176.300 0.073 0.000 0.963 1371 D CA 0.645 54.723 54.000 0.130 0.000 0.864 1371 D CB -0.147 40.754 40.800 0.167 0.000 0.936 1371 D HN 0.338 nan 8.370 nan 0.000 0.505 1372 R N 0.292 120.815 120.500 0.038 0.000 2.075 1372 R HA -0.051 4.289 4.340 -0.000 0.000 0.226 1372 R C 1.762 178.061 176.300 -0.001 0.000 1.114 1372 R CA 0.856 56.972 56.100 0.028 0.000 0.972 1372 R CB 0.253 30.566 30.300 0.021 0.000 0.869 1372 R HN 0.038 nan 8.270 nan 0.000 0.437 1373 E N 0.384 120.544 120.200 -0.067 0.000 2.072 1373 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 1373 E C 2.041 178.575 176.600 -0.110 0.000 0.982 1373 E CA 0.735 57.069 56.400 -0.110 0.000 0.803 1373 E CB -0.142 29.453 29.700 -0.176 0.000 0.755 1373 E HN 0.315 nan 8.360 nan 0.000 0.453 1374 R N 0.905 121.303 120.500 -0.169 0.000 2.115 1374 R HA -0.171 4.169 4.340 -0.000 0.000 0.239 1374 R C 2.169 178.603 176.300 0.224 0.000 1.133 1374 R CA 1.433 57.472 56.100 -0.101 0.000 0.935 1374 R CB -0.288 29.911 30.300 -0.169 0.000 0.853 1374 R HN 0.202 nan 8.270 nan 0.000 0.433 1375 E N 0.597 120.968 120.200 0.284 0.000 2.130 1375 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 1375 E C 1.894 178.647 176.600 0.256 0.000 0.998 1375 E CA 1.219 57.794 56.400 0.292 0.000 0.806 1375 E CB -0.141 29.648 29.700 0.149 0.000 0.738 1375 E HN 0.250 nan 8.360 nan 0.000 0.459 1376 K N 0.576 121.066 120.400 0.150 0.000 2.097 1376 K HA -0.042 4.277 4.320 -0.000 0.000 0.205 1376 K C 2.021 178.710 176.600 0.149 0.000 1.050 1376 K CA 1.109 57.465 56.287 0.115 0.000 0.938 1376 K CB -0.061 32.452 32.500 0.022 0.000 0.718 1376 K HN 0.087 nan 8.250 nan 0.000 0.442 1377 A N -0.132 122.761 122.820 0.122 0.000 1.872 1377 A HA -0.154 4.166 4.320 -0.000 0.000 0.214 1377 A C 2.075 179.837 177.584 0.297 0.000 1.187 1377 A CA 1.343 53.458 52.037 0.130 0.000 0.614 1377 A CB -0.931 18.054 19.000 -0.023 0.000 0.826 1377 A HN 0.543 nan 8.150 nan 0.000 0.442 1378 Y N 0.778 121.226 120.300 0.247 0.000 2.165 1378 Y HA -0.221 4.328 4.550 -0.000 0.000 0.286 1378 Y C 2.277 178.355 175.900 0.296 0.000 1.155 1378 Y CA 2.391 60.679 58.100 0.314 0.000 1.164 1378 Y CB -0.183 38.524 38.460 0.411 0.000 0.978 1378 Y HN 0.389 nan 8.280 nan 0.000 0.513 1379 E N -0.051 120.364 120.200 0.359 0.000 2.106 1379 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 1379 E C 1.950 178.724 176.600 0.290 0.000 0.984 1379 E CA 1.423 57.986 56.400 0.273 0.000 0.806 1379 E CB -0.843 29.027 29.700 0.283 0.000 0.750 1379 E HN 0.517 nan 8.360 nan 0.000 0.458 1380 F N 0.540 120.566 119.950 0.127 0.000 2.075 1380 F HA -0.070 4.457 4.527 -0.000 0.000 0.297 1380 F C 1.818 177.732 175.800 0.189 0.000 1.113 1380 F CA 1.451 59.509 58.000 0.097 0.000 1.218 1380 F CB -0.312 38.676 39.000 -0.019 0.000 0.984 1380 F HN 0.036 nan 8.300 nan 0.000 0.472 1381 L N -0.993 120.324 121.223 0.157 0.000 2.093 1381 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 1381 L C 2.405 179.293 176.870 0.029 0.000 1.085 1381 L CA 1.527 56.415 54.840 0.080 0.000 0.755 1381 L CB -1.069 41.105 42.059 0.192 0.000 0.904 1381 L HN 0.298 nan 8.230 nan 0.000 0.435 1382 Y N 1.040 121.262 120.300 -0.130 0.000 2.145 1382 Y HA -0.332 4.218 4.550 -0.000 0.000 0.286 1382 Y C 2.717 178.662 175.900 0.074 0.000 1.145 1382 Y CA 1.943 59.964 58.100 -0.132 0.000 1.148 1382 Y CB -0.207 38.049 38.460 -0.340 0.000 0.981 1382 Y HN 0.103 nan 8.280 nan 0.000 0.507 1383 Q N -0.819 118.985 119.800 0.007 0.000 2.224 1383 Q HA -0.198 4.142 4.340 -0.000 0.000 0.203 1383 Q C 2.280 178.106 176.000 -0.290 0.000 0.970 1383 Q CA 1.930 57.677 55.803 -0.093 0.000 0.865 1383 Q CB -0.588 28.248 28.738 0.162 0.000 0.922 1383 Q HN 0.741 nan 8.270 nan 0.000 0.445 1384 H N -1.088 117.806 119.070 -0.294 0.000 2.415 1384 H HA 0.118 4.674 4.556 -0.000 0.000 0.297 1384 H C 0.544 175.692 175.328 -0.300 0.000 1.048 1384 H CA 1.143 56.946 56.048 -0.407 0.000 1.365 1384 H CB 0.613 30.194 29.762 -0.302 0.000 1.421 1384 H HN 0.270 nan 8.280 nan 0.000 0.533 1385 Q N 1.132 120.774 119.800 -0.263 0.000 2.141 1385 Q HA 0.119 4.459 4.340 -0.000 0.000 0.295 1385 Q C -1.418 174.466 176.000 -0.194 0.000 0.870 1385 Q CA -0.273 55.354 55.803 -0.293 0.000 1.096 1385 Q CB 0.751 29.359 28.738 -0.218 0.000 1.288 1385 Q HN 0.279 nan 8.270 nan 0.000 0.418 1386 D N -1.289 118.996 120.400 -0.191 0.000 2.256 1386 D HA 0.159 4.799 4.640 -0.000 0.000 0.250 1386 D C 0.815 176.972 176.300 -0.238 0.000 1.093 1386 D CA 0.172 54.042 54.000 -0.217 0.000 0.882 1386 D CB 1.275 41.804 40.800 -0.451 0.000 1.185 1386 D HN 0.081 nan 8.370 nan 0.000 0.437 1387 S N 1.613 117.227 115.700 -0.143 0.000 2.393 1387 S HA -0.316 4.154 4.470 -0.000 0.000 0.234 1387 S C 2.110 176.651 174.600 -0.098 0.000 1.064 1387 S CA 1.695 59.839 58.200 -0.094 0.000 1.088 1387 S CB -0.627 62.742 63.200 0.282 0.000 0.939 1387 S HN 0.749 nan 8.310 nan 0.000 0.448 1388 S N 1.448 117.081 115.700 -0.111 0.000 2.389 1388 S HA -0.204 4.265 4.470 -0.000 0.000 0.231 1388 S C 1.559 175.993 174.600 -0.277 0.000 1.052 1388 S CA 1.756 59.847 58.200 -0.181 0.000 1.053 1388 S CB -0.822 62.079 63.200 -0.498 0.000 0.886 1388 S HN 0.448 nan 8.310 nan 0.000 0.456 1389 F N 1.443 121.321 119.950 -0.121 0.000 2.148 1389 F HA 0.200 4.727 4.527 -0.000 0.000 0.285 1389 F C 3.097 178.771 175.800 -0.210 0.000 1.092 1389 F CA -0.307 57.596 58.000 -0.161 0.000 1.218 1389 F CB -1.450 37.402 39.000 -0.246 0.000 1.059 1389 F HN 0.276 nan 8.300 nan 0.000 0.490 1390 C N 0.191 119.417 119.300 -0.123 0.000 2.413 1390 C HA -0.212 4.248 4.460 -0.000 0.000 0.276 1390 C C 2.759 177.542 174.990 -0.345 0.000 1.236 1390 C CA 0.715 59.575 59.018 -0.263 0.000 1.735 1390 C CB -1.633 25.874 27.740 -0.388 0.000 2.031 1390 C HN 0.395 nan 8.230 nan 0.000 0.474 1391 F N 0.739 120.347 119.950 -0.570 0.000 2.333 1391 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 1391 F C 2.570 177.714 175.800 -1.092 0.000 1.083 1391 F CA 0.828 58.174 58.000 -1.090 0.000 1.395 1391 F CB -0.190 37.582 39.000 -2.046 0.000 1.056 1391 F HN 0.160 nan 8.300 nan 0.000 0.529 1392 K N 0.978 121.145 120.400 -0.388 0.000 2.076 1392 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 1392 K C 1.917 178.549 176.600 0.053 0.000 1.051 1392 K CA 1.098 57.377 56.287 -0.014 0.000 0.949 1392 K CB -0.327 32.266 32.500 0.155 0.000 0.726 1392 K HN 0.291 nan 8.250 nan 0.000 0.443 1393 E N 0.617 120.815 120.200 -0.003 0.000 2.077 1393 E HA -0.222 4.127 4.350 -0.000 0.000 0.193 1393 E C 1.827 178.462 176.600 0.057 0.000 0.989 1393 E CA 1.319 57.737 56.400 0.029 0.000 0.800 1393 E CB 0.135 29.830 29.700 -0.008 0.000 0.746 1393 E HN 0.366 nan 8.360 nan 0.000 0.452 1394 Q N -0.485 119.330 119.800 0.025 0.000 2.079 1394 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 1394 Q C 2.009 178.108 176.000 0.164 0.000 0.974 1394 Q CA 1.402 57.253 55.803 0.081 0.000 0.840 1394 Q CB -0.258 28.440 28.738 -0.067 0.000 0.898 1394 Q HN 0.301 nan 8.270 nan 0.000 0.430 1395 F N 2.155 122.087 119.950 -0.031 0.000 2.126 1395 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 1395 F C 1.411 177.262 175.800 0.085 0.000 1.096 1395 F CA 1.491 59.524 58.000 0.055 0.000 1.255 1395 F CB 0.047 39.091 39.000 0.073 0.000 0.997 1395 F HN 0.027 nan 8.300 nan 0.000 0.479 1396 D N 0.378 120.911 120.400 0.221 0.000 2.219 1396 D HA -0.143 4.497 4.640 -0.000 0.000 0.205 1396 D C 2.401 178.680 176.300 -0.036 0.000 0.970 1396 D CA 1.338 55.401 54.000 0.105 0.000 0.851 1396 D CB -0.211 40.664 40.800 0.124 0.000 0.943 1396 D HN 0.375 nan 8.370 nan 0.000 0.488 1397 I N 0.303 120.844 120.570 -0.048 0.000 2.333 1397 I HA -0.134 4.036 4.170 -0.000 0.000 0.246 1397 I C 2.324 178.303 176.117 -0.229 0.000 1.106 1397 I CA 0.469 61.644 61.300 -0.209 0.000 1.411 1397 I CB -0.006 37.831 38.000 -0.270 0.000 1.082 1397 I HN -0.077 nan 8.210 nan 0.000 0.420 1398 I N 0.625 121.134 120.570 -0.101 0.000 2.208 1398 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 1398 I C 2.351 178.350 176.117 -0.196 0.000 1.097 1398 I CA 1.622 62.854 61.300 -0.113 0.000 1.363 1398 I CB -0.454 37.528 38.000 -0.029 0.000 1.051 1398 I HN 0.234 nan 8.210 nan 0.000 0.413 1399 T N 0.018 114.400 114.554 -0.288 0.000 3.014 1399 T HA -0.069 4.281 4.350 -0.000 0.000 0.263 1399 T C 1.081 175.700 174.700 -0.134 0.000 1.078 1399 T CA 0.108 62.055 62.100 -0.255 0.000 1.135 1399 T CB -0.076 68.576 68.868 -0.360 0.000 0.895 1399 T HN 0.240 nan 8.240 nan 0.000 0.480 1400 K N 0.000 120.326 120.400 -0.123 0.000 2.780 1400 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1400 K CA 0.000 56.239 56.287 -0.081 0.000 0.838 1400 K CB 0.000 32.435 32.500 -0.108 0.000 1.064 1400 K HN 0.000 nan 8.250 nan 0.000 0.543