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 3khg_1_B DATA FIRST_RESID 1001 DATA SEQUENCE GIVLFVDFDY FYAQVEEVLN PSLKGKPVVV CVFSGRFEDS GAVATANYEA DATA SEQUENCE RKFGVKAGIP IVEAKKILPN AVYLPMRKEV YQQVSSRIMN LLREYSEKIE DATA SEQUENCE IASIDEAYLD ISDKVRDYRE AYNLGLEIKN KILEKEKITV TVGISKNKVF DATA SEQUENCE AKIAADMAKP NGIKVIDDEE VKRLIRELDI ADVPGIGNIT AEKLKKLGIN DATA SEQUENCE KLVDTLSIEF DKLKGMIGEA KAKYLISLAR DEYNEPIRTR VRKSIGRIVT DATA SEQUENCE MKRNSRNLEE IKPYLFRAIE ESYYKLDKRI PKAIHVVAVT EDLDIVSRGR DATA SEQUENCE TFPHGISKET AYSESVKLLQ KILEEDERKI RRIGVRFSKF I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 G HA2 0.000 nan 3.960 nan 0.000 0.244 1001 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1001 G C 0.000 174.919 174.900 0.031 0.000 0.946 1001 G CA 0.000 45.115 45.100 0.024 0.000 0.502 1002 I N -0.110 120.474 120.570 0.025 0.000 2.656 1002 I HA 0.531 4.701 4.170 0.000 0.000 0.292 1002 I C -0.828 175.346 176.117 0.096 0.000 1.144 1002 I CA -1.156 60.164 61.300 0.033 0.000 1.038 1002 I CB 2.538 40.475 38.000 -0.105 0.000 1.244 1002 I HN 0.297 nan 8.210 nan 0.000 0.420 1003 V N 6.251 126.265 119.914 0.166 0.000 2.482 1003 V HA 0.398 4.518 4.120 0.000 0.000 0.295 1003 V C -0.512 175.716 176.094 0.224 0.000 1.026 1003 V CA -0.530 61.882 62.300 0.187 0.000 0.856 1003 V CB 2.250 34.190 31.823 0.194 0.000 1.001 1003 V HN 0.532 nan 8.190 nan 0.000 0.424 1004 L N 5.664 127.006 121.223 0.199 0.000 2.265 1004 L HA 0.663 5.003 4.340 0.000 0.000 0.289 1004 L C -1.078 175.926 176.870 0.223 0.000 1.033 1004 L CA -0.393 54.556 54.840 0.181 0.000 0.814 1004 L CB 0.900 43.017 42.059 0.096 0.000 1.203 1004 L HN 0.670 nan 8.230 nan 0.000 0.423 1005 F N 5.919 125.912 119.950 0.072 0.000 2.469 1005 F HA 0.677 5.204 4.527 0.000 0.000 0.332 1005 F C -1.147 174.604 175.800 -0.082 0.000 1.103 1005 F CA -0.630 57.374 58.000 0.007 0.000 0.979 1005 F CB 1.617 40.675 39.000 0.097 0.000 1.137 1005 F HN 0.084 nan 8.300 nan 0.000 0.463 1006 V N 5.806 125.115 119.914 -1.008 0.000 2.443 1006 V HA 0.295 4.415 4.120 0.000 0.000 0.293 1006 V C -1.108 174.268 176.094 -1.196 0.000 1.021 1006 V CA -0.827 60.989 62.300 -0.806 0.000 0.848 1006 V CB 1.434 33.022 31.823 -0.393 0.000 0.998 1006 V HN 0.758 nan 8.190 nan 0.000 0.424 1007 D N 4.643 124.512 120.400 -0.885 0.000 2.440 1007 D HA 0.365 5.005 4.640 0.000 0.000 0.239 1007 D C -0.766 175.319 176.300 -0.359 0.000 1.084 1007 D CA -0.419 53.153 54.000 -0.713 0.000 0.843 1007 D CB 1.195 41.760 40.800 -0.392 0.000 1.097 1007 D HN 0.200 nan 8.370 nan 0.000 0.531 1008 F N 1.856 121.546 119.950 -0.434 0.000 2.518 1008 F HA 0.136 4.663 4.527 0.000 0.000 0.359 1008 F C 1.204 176.835 175.800 -0.282 0.000 1.118 1008 F CA -0.514 57.221 58.000 -0.441 0.000 1.287 1008 F CB 0.167 38.675 39.000 -0.821 0.000 1.132 1008 F HN 0.185 nan 8.300 nan 0.000 0.587 1009 D N 3.018 123.395 120.400 -0.038 0.000 2.308 1009 D HA 0.122 4.762 4.640 0.000 0.000 0.251 1009 D C 0.838 177.045 176.300 -0.156 0.000 1.127 1009 D CA 0.059 54.025 54.000 -0.058 0.000 0.876 1009 D CB 0.284 40.988 40.800 -0.159 0.000 1.176 1009 D HN 0.637 nan 8.370 nan 0.000 0.446 1010 Y N 1.463 121.894 120.300 0.219 0.000 2.578 1010 Y HA -0.522 4.028 4.550 0.000 0.000 0.488 1010 Y C 1.381 177.379 175.900 0.162 0.000 0.909 1010 Y CA 1.609 59.812 58.100 0.172 0.000 3.342 1010 Y CB -1.128 37.447 38.460 0.192 0.000 0.890 1010 Y HN 0.496 nan 8.280 nan 0.000 0.577 1011 F N -4.505 115.388 119.950 -0.095 0.000 2.476 1011 F HA -0.308 4.219 4.527 0.000 0.000 0.769 1011 F C 1.564 177.291 175.800 -0.121 0.000 0.495 1011 F CA 0.657 58.566 58.000 -0.152 0.000 0.908 1011 F CB -2.054 36.892 39.000 -0.091 0.000 1.713 1011 F HN 0.155 nan 8.300 nan 0.000 0.282 1012 Y N 1.699 121.681 120.300 -0.530 0.000 2.069 1012 Y HA -0.126 4.424 4.550 0.000 0.000 0.278 1012 Y C 2.784 178.339 175.900 -0.575 0.000 1.175 1012 Y CA 2.345 59.762 58.100 -1.138 0.000 1.134 1012 Y CB -1.888 36.074 38.460 -0.829 0.000 0.965 1012 Y HN 0.428 nan 8.280 nan 0.000 0.498 1013 A N -0.313 122.507 122.820 -0.001 0.000 1.902 1013 A HA -0.266 4.054 4.320 0.000 0.000 0.217 1013 A C 2.323 180.017 177.584 0.183 0.000 1.181 1013 A CA 1.873 53.985 52.037 0.126 0.000 0.623 1013 A CB -0.920 18.198 19.000 0.197 0.000 0.818 1013 A HN 0.553 nan 8.150 nan 0.000 0.443 1014 Q N -0.330 119.588 119.800 0.196 0.000 2.084 1014 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 1014 Q C 2.046 178.030 176.000 -0.026 0.000 0.978 1014 Q CA 1.915 57.738 55.803 0.032 0.000 0.844 1014 Q CB -0.209 28.267 28.738 -0.436 0.000 0.898 1014 Q HN 0.460 nan 8.270 nan 0.000 0.426 1015 V N 1.497 121.325 119.914 -0.143 0.000 2.407 1015 V HA -0.236 3.884 4.120 0.000 0.000 0.248 1015 V C 2.161 178.266 176.094 0.019 0.000 1.055 1015 V CA 1.781 64.019 62.300 -0.104 0.000 1.049 1015 V CB -0.522 31.172 31.823 -0.215 0.000 0.662 1015 V HN 0.352 nan 8.190 nan 0.000 0.455 1016 E N 0.061 120.294 120.200 0.055 0.000 2.110 1016 E HA -0.211 4.139 4.350 0.000 0.000 0.193 1016 E C 2.200 178.839 176.600 0.065 0.000 0.988 1016 E CA 1.081 57.535 56.400 0.090 0.000 0.804 1016 E CB -0.221 29.543 29.700 0.106 0.000 0.745 1016 E HN 0.700 nan 8.360 nan 0.000 0.458 1017 E N 0.509 120.751 120.200 0.070 0.000 2.077 1017 E HA -0.131 4.219 4.350 0.000 0.000 0.193 1017 E C 2.290 178.917 176.600 0.045 0.000 0.989 1017 E CA 1.178 57.620 56.400 0.070 0.000 0.800 1017 E CB -0.014 29.752 29.700 0.109 0.000 0.746 1017 E HN 0.087 nan 8.360 nan 0.000 0.452 1018 V N 1.334 121.267 119.914 0.031 0.000 2.270 1018 V HA -0.230 3.890 4.120 0.000 0.000 0.245 1018 V C 2.177 178.283 176.094 0.019 0.000 1.043 1018 V CA 1.275 63.585 62.300 0.018 0.000 1.014 1018 V CB -0.409 31.416 31.823 0.004 0.000 0.645 1018 V HN 0.193 nan 8.190 nan 0.000 0.447 1019 L N 0.490 121.728 121.223 0.024 0.000 2.549 1019 L HA 0.061 4.401 4.340 0.000 0.000 0.230 1019 L C 0.885 177.770 176.870 0.024 0.000 1.162 1019 L CA 1.248 56.101 54.840 0.022 0.000 0.834 1019 L CB -1.296 40.779 42.059 0.027 0.000 0.947 1019 L HN 0.489 nan 8.230 nan 0.000 0.452 1020 N N -1.130 117.588 118.700 0.029 0.000 2.793 1020 N HA 0.185 4.925 4.740 0.000 0.000 0.251 1020 N C -2.452 173.076 175.510 0.030 0.000 1.308 1020 N CA -1.077 51.989 53.050 0.028 0.000 0.781 1020 N CB 1.418 39.924 38.487 0.031 0.000 1.439 1020 N HN -0.207 nan 8.380 nan 0.000 0.562 1021 P HA 0.026 nan 4.420 nan 0.000 0.245 1021 P C 1.124 178.439 177.300 0.024 0.000 1.212 1021 P CA 0.510 63.626 63.100 0.026 0.000 0.774 1021 P CB 0.218 31.931 31.700 0.020 0.000 0.999 1022 S N -0.796 114.918 115.700 0.022 0.000 2.515 1022 S HA -0.055 4.415 4.470 0.000 0.000 0.231 1022 S C 1.407 176.021 174.600 0.022 0.000 0.987 1022 S CA 0.698 58.910 58.200 0.020 0.000 0.936 1022 S CB -0.976 62.234 63.200 0.018 0.000 0.766 1022 S HN -0.029 nan 8.310 nan 0.000 0.528 1023 L N 0.996 122.235 121.223 0.027 0.000 2.612 1023 L HA 0.458 4.798 4.340 0.000 0.000 0.230 1023 L C 0.697 177.586 176.870 0.031 0.000 1.140 1023 L CA 0.311 55.167 54.840 0.027 0.000 0.896 1023 L CB -0.923 41.156 42.059 0.033 0.000 1.065 1023 L HN 0.149 nan 8.230 nan 0.000 0.447 1024 K N 0.275 120.694 120.400 0.032 0.000 2.326 1024 K HA 0.439 4.759 4.320 0.000 0.000 0.275 1024 K C 1.319 177.937 176.600 0.031 0.000 1.018 1024 K CA 0.789 57.099 56.287 0.037 0.000 0.962 1024 K CB 0.343 32.864 32.500 0.034 0.000 0.953 1024 K HN 0.186 nan 8.250 nan 0.000 0.475 1025 G N 2.722 111.542 108.800 0.033 0.000 2.184 1025 G HA2 -0.323 3.637 3.960 0.000 0.000 0.264 1025 G HA3 -0.323 3.637 3.960 0.000 0.000 0.264 1025 G C -0.229 174.688 174.900 0.028 0.000 0.975 1025 G CA 1.165 46.283 45.100 0.029 0.000 0.642 1025 G HN 0.762 nan 8.290 nan 0.000 0.536 1026 K N -0.233 120.180 120.400 0.022 0.000 2.433 1026 K HA 0.758 5.078 4.320 0.000 0.000 0.252 1026 K C -3.201 173.399 176.600 -0.001 0.000 1.015 1026 K CA -2.229 54.070 56.287 0.020 0.000 0.860 1026 K CB 3.013 35.521 32.500 0.015 0.000 1.359 1026 K HN -0.017 nan 8.250 nan 0.000 0.452 1027 P HA 0.102 nan 4.420 nan 0.000 0.280 1027 P C -0.721 176.514 177.300 -0.108 0.000 1.300 1027 P CA -0.358 62.718 63.100 -0.041 0.000 0.785 1027 P CB 0.917 32.612 31.700 -0.008 0.000 0.874 1028 V N 5.303 125.151 119.914 -0.110 0.000 2.417 1028 V HA 0.313 4.433 4.120 0.000 0.000 0.291 1028 V C 0.277 176.278 176.094 -0.155 0.000 1.024 1028 V CA -0.683 61.545 62.300 -0.119 0.000 0.861 1028 V CB 2.148 33.951 31.823 -0.032 0.000 0.985 1028 V HN 0.251 nan 8.190 nan 0.000 0.436 1029 V N 5.552 125.321 119.914 -0.242 0.000 2.376 1029 V HA 0.365 4.485 4.120 0.000 0.000 0.287 1029 V C -0.112 175.943 176.094 -0.065 0.000 1.015 1029 V CA -0.658 61.520 62.300 -0.203 0.000 0.834 1029 V CB 1.807 33.390 31.823 -0.399 0.000 1.001 1029 V HN 0.606 nan 8.190 nan 0.000 0.428 1030 V N 4.427 124.351 119.914 0.017 0.000 2.432 1030 V HA 0.291 4.411 4.120 0.000 0.000 0.271 1030 V C 0.229 176.358 176.094 0.058 0.000 1.046 1030 V CA -0.095 62.257 62.300 0.086 0.000 0.945 1030 V CB 0.894 32.811 31.823 0.156 0.000 0.992 1030 V HN 1.010 nan 8.190 nan 0.000 0.471 1031 C N 4.684 123.982 119.300 -0.003 0.000 2.529 1031 C HA 0.749 5.209 4.460 0.000 0.000 0.329 1031 C C 0.092 174.931 174.990 -0.251 0.000 1.194 1031 C CA -0.931 57.971 59.018 -0.194 0.000 1.779 1031 C CB 1.510 28.968 27.740 -0.471 0.000 2.322 1031 C HN 0.591 nan 8.230 nan 0.000 0.500 1032 V N 1.974 121.738 119.914 -0.250 0.000 2.398 1032 V HA 0.428 4.548 4.120 0.000 0.000 0.286 1032 V C -0.568 175.372 176.094 -0.256 0.000 1.026 1032 V CA -0.140 62.073 62.300 -0.144 0.000 0.868 1032 V CB 0.684 32.501 31.823 -0.009 0.000 0.982 1032 V HN 0.667 nan 8.190 nan 0.000 0.443 1033 F N 2.265 122.244 119.950 0.048 0.000 2.385 1033 F HA 0.405 4.932 4.527 -0.000 0.000 0.336 1033 F C 1.517 177.343 175.800 0.042 0.000 1.100 1033 F CA 0.357 58.377 58.000 0.033 0.000 1.116 1033 F CB 1.887 40.897 39.000 0.015 0.000 1.166 1033 F HN 0.567 nan 8.300 nan 0.000 0.511 1034 S N 2.060 117.899 115.700 0.232 0.000 2.396 1034 S HA 0.261 4.731 4.470 0.000 0.000 0.204 1034 S C 1.611 176.301 174.600 0.149 0.000 1.060 1034 S CA 1.553 59.848 58.200 0.158 0.000 1.098 1034 S CB -0.504 62.791 63.200 0.158 0.000 1.022 1034 S HN 1.079 nan 8.310 nan 0.000 0.413 1035 G N -0.163 108.728 108.800 0.153 0.000 3.259 1035 G HA2 -0.010 3.950 3.960 0.000 0.000 0.217 1035 G HA3 -0.010 3.950 3.960 0.000 0.000 0.217 1035 G C 0.330 175.313 174.900 0.139 0.000 0.993 1035 G CA -0.213 44.967 45.100 0.133 0.000 0.836 1035 G HN 0.472 nan 8.290 nan 0.000 0.514 1036 R N 0.400 121.001 120.500 0.168 0.000 3.130 1036 R HA 0.560 4.900 4.340 0.000 0.000 0.348 1036 R C 0.085 176.628 176.300 0.405 0.000 1.241 1036 R CA 0.101 56.314 56.100 0.188 0.000 1.141 1036 R CB -0.275 30.092 30.300 0.112 0.000 1.453 1036 R HN 1.108 nan 8.270 nan 0.000 0.590 1037 F N -1.664 118.313 119.950 0.045 0.000 2.183 1037 F HA -0.189 4.338 4.527 0.001 0.000 0.318 1037 F C -0.645 175.186 175.800 0.053 0.000 1.120 1037 F CA -0.837 57.184 58.000 0.035 0.000 0.912 1037 F CB 0.057 39.070 39.000 0.022 0.000 4.134 1037 F HN 0.221 nan 8.300 nan 0.000 0.137 1038 E N 3.287 123.188 120.200 -0.497 0.000 2.829 1038 E HA -0.053 4.297 4.350 0.000 0.000 0.264 1038 E C 0.284 176.234 176.600 -1.083 0.000 0.922 1038 E CA 1.506 57.519 56.400 -0.645 0.000 0.960 1038 E CB 0.152 29.564 29.700 -0.481 0.000 0.918 1038 E HN 0.735 nan 8.360 nan 0.000 0.497 1039 D N 1.243 121.400 120.400 -0.406 0.000 3.079 1039 D HA -0.171 4.469 4.640 0.000 0.000 0.214 1039 D C -0.671 175.558 176.300 -0.119 0.000 1.145 1039 D CA 1.510 55.351 54.000 -0.264 0.000 0.958 1039 D CB -1.549 39.060 40.800 -0.317 0.000 1.117 1039 D HN 0.426 nan 8.370 nan 0.000 0.416 1040 S N -0.884 114.799 115.700 -0.028 0.000 2.422 1040 S HA 0.774 5.244 4.470 0.000 0.000 0.308 1040 S C 0.662 175.333 174.600 0.119 0.000 1.097 1040 S CA 0.243 58.554 58.200 0.185 0.000 1.099 1040 S CB 2.516 65.954 63.200 0.397 0.000 0.976 1040 S HN 0.610 nan 8.310 nan 0.000 0.471 1041 G N 1.438 110.266 108.800 0.046 0.000 2.498 1041 G HA2 0.688 4.648 3.960 0.000 0.000 0.181 1041 G HA3 0.688 4.648 3.960 0.000 0.000 0.181 1041 G C -1.410 173.464 174.900 -0.044 0.000 1.169 1041 G CA -0.097 44.988 45.100 -0.024 0.000 0.992 1041 G HN 1.727 nan 8.290 nan 0.000 0.490 1042 A N -1.324 121.439 122.820 -0.096 0.000 2.582 1042 A HA 0.680 5.000 4.320 0.000 0.000 0.297 1042 A C -0.752 176.795 177.584 -0.062 0.000 1.059 1042 A CA -0.185 51.822 52.037 -0.051 0.000 0.705 1042 A CB 1.174 20.164 19.000 -0.016 0.000 1.279 1042 A HN 1.725 nan 8.150 nan 0.000 0.404 1043 V N 1.989 121.891 119.914 -0.020 0.000 2.599 1043 V HA 0.327 4.447 4.120 0.000 0.000 0.300 1043 V C 1.495 177.596 176.094 0.011 0.000 1.034 1043 V CA 1.071 63.371 62.300 -0.000 0.000 1.115 1043 V CB 0.809 32.645 31.823 0.021 0.000 0.934 1043 V HN 1.372 nan 8.190 nan 0.000 0.485 1044 A N 4.051 126.894 122.820 0.038 0.000 1.887 1044 A HA 0.312 4.632 4.320 0.000 0.000 0.210 1044 A C 1.073 178.691 177.584 0.055 0.000 1.221 1044 A CA 1.185 53.277 52.037 0.093 0.000 0.635 1044 A CB 0.315 19.441 19.000 0.211 0.000 0.881 1044 A HN 0.758 nan 8.150 nan 0.000 0.456 1045 T N -1.709 112.875 114.554 0.049 0.000 3.159 1045 T HA 0.535 4.885 4.350 0.000 0.000 0.343 1045 T C -1.597 173.095 174.700 -0.014 0.000 1.364 1045 T CA 0.120 62.214 62.100 -0.011 0.000 1.102 1045 T CB 1.178 70.008 68.868 -0.064 0.000 1.263 1045 T HN 0.963 nan 8.240 nan 0.000 0.477 1046 A N 3.754 126.534 122.820 -0.066 0.000 2.324 1046 A HA 0.782 5.102 4.320 0.000 0.000 0.330 1046 A C 0.385 177.868 177.584 -0.168 0.000 1.165 1046 A CA -0.816 51.158 52.037 -0.105 0.000 0.813 1046 A CB 0.678 19.604 19.000 -0.123 0.000 1.197 1046 A HN 0.961 nan 8.150 nan 0.000 0.484 1047 N N 0.248 118.827 118.700 -0.202 0.000 2.263 1047 N HA 0.036 4.776 4.740 0.000 0.000 0.239 1047 N C 0.111 175.400 175.510 -0.367 0.000 1.317 1047 N CA 0.283 53.051 53.050 -0.470 0.000 0.909 1047 N CB -0.155 38.042 38.487 -0.484 0.000 1.171 1047 N HN 0.528 nan 8.380 nan 0.000 0.492 1048 Y N -1.988 117.983 120.300 -0.547 0.000 2.457 1048 Y HA 0.028 4.578 4.550 0.000 0.000 0.292 1048 Y C 2.250 178.026 175.900 -0.206 0.000 1.125 1048 Y CA 0.876 58.794 58.100 -0.302 0.000 1.254 1048 Y CB -0.362 37.945 38.460 -0.254 0.000 1.012 1048 Y HN 0.711 nan 8.280 nan 0.000 0.555 1049 E N 0.484 120.661 120.200 -0.038 0.000 2.153 1049 E HA -0.171 4.179 4.350 0.000 0.000 0.194 1049 E C 2.202 178.836 176.600 0.056 0.000 0.988 1049 E CA 1.295 57.700 56.400 0.009 0.000 0.811 1049 E CB -0.197 29.527 29.700 0.041 0.000 0.746 1049 E HN 0.328 nan 8.360 nan 0.000 0.466 1050 A N 0.237 123.047 122.820 -0.016 0.000 1.970 1050 A HA -0.016 4.304 4.320 0.000 0.000 0.216 1050 A C 2.114 179.679 177.584 -0.032 0.000 1.170 1050 A CA 1.053 53.097 52.037 0.013 0.000 0.645 1050 A CB -0.223 18.734 19.000 -0.072 0.000 0.816 1050 A HN 0.150 nan 8.150 nan 0.000 0.447 1051 R N -0.083 120.319 120.500 -0.163 0.000 2.115 1051 R HA -0.011 4.329 4.340 0.000 0.000 0.226 1051 R C 1.961 178.137 176.300 -0.206 0.000 1.100 1051 R CA 1.073 57.044 56.100 -0.215 0.000 0.980 1051 R CB -0.205 29.855 30.300 -0.400 0.000 0.875 1051 R HN 0.429 nan 8.270 nan 0.000 0.445 1052 K N 0.085 120.315 120.400 -0.284 0.000 2.089 1052 K HA -0.175 4.145 4.320 0.000 0.000 0.210 1052 K C 0.987 177.273 176.600 -0.525 0.000 1.048 1052 K CA 1.532 57.530 56.287 -0.481 0.000 0.926 1052 K CB -0.117 31.891 32.500 -0.819 0.000 0.714 1052 K HN 0.165 nan 8.250 nan 0.000 0.448 1053 F N -0.626 119.302 119.950 -0.037 0.000 2.639 1053 F HA 0.238 4.765 4.527 0.000 0.000 0.300 1053 F C 1.293 177.078 175.800 -0.025 0.000 1.109 1053 F CA 0.241 58.227 58.000 -0.024 0.000 1.335 1053 F CB 0.729 39.719 39.000 -0.016 0.000 1.014 1053 F HN 0.175 nan 8.300 nan 0.000 0.537 1054 G N -0.162 108.668 108.800 0.050 0.000 2.175 1054 G HA2 -0.255 3.705 3.960 0.000 0.000 0.244 1054 G HA3 -0.255 3.705 3.960 0.000 0.000 0.244 1054 G C 0.059 174.969 174.900 0.018 0.000 0.982 1054 G CA -0.034 45.079 45.100 0.022 0.000 0.641 1054 G HN 0.113 nan 8.290 nan 0.000 0.527 1055 V N 3.427 123.358 119.914 0.029 0.000 2.364 1055 V HA 0.399 4.520 4.120 0.000 0.000 0.252 1055 V C 0.905 176.979 176.094 -0.033 0.000 1.075 1055 V CA 0.810 63.121 62.300 0.018 0.000 1.033 1055 V CB 0.297 32.143 31.823 0.039 0.000 1.116 1055 V HN 0.641 nan 8.190 nan 0.000 0.488 1056 K N 3.921 124.302 120.400 -0.032 0.000 2.313 1056 K HA 0.890 5.210 4.320 0.000 0.000 0.235 1056 K C -0.112 176.466 176.600 -0.037 0.000 1.035 1056 K CA -0.818 55.434 56.287 -0.059 0.000 0.868 1056 K CB 1.958 34.422 32.500 -0.061 0.000 1.232 1056 K HN 0.391 nan 8.250 nan 0.000 0.459 1057 A N 0.017 122.810 122.820 -0.046 0.000 2.498 1057 A HA 0.405 4.725 4.320 0.000 0.000 0.239 1057 A C 1.012 178.589 177.584 -0.013 0.000 1.068 1057 A CA 0.685 52.706 52.037 -0.025 0.000 0.766 1057 A CB -1.140 17.840 19.000 -0.032 0.000 1.003 1057 A HN 1.334 nan 8.150 nan 0.000 0.497 1058 G N 0.788 109.587 108.800 -0.002 0.000 2.256 1058 G HA2 -0.111 3.849 3.960 0.000 0.000 0.272 1058 G HA3 -0.111 3.849 3.960 0.000 0.000 0.272 1058 G C -0.111 174.790 174.900 0.002 0.000 1.076 1058 G CA 0.461 45.562 45.100 0.002 0.000 0.882 1058 G HN 2.007 nan 8.290 nan 0.000 0.497 1059 I N -3.431 117.141 120.570 0.004 0.000 2.828 1059 I HA 0.748 4.918 4.170 0.000 0.000 0.302 1059 I C -2.517 173.605 176.117 0.009 0.000 1.101 1059 I CA -3.428 57.877 61.300 0.008 0.000 1.031 1059 I CB 2.126 40.133 38.000 0.012 0.000 1.231 1059 I HN -0.132 nan 8.210 nan 0.000 0.427 1060 P HA 0.176 nan 4.420 nan 0.000 0.265 1060 P C 0.763 178.064 177.300 0.002 0.000 1.187 1060 P CA 0.164 63.269 63.100 0.009 0.000 0.766 1060 P CB 0.714 32.426 31.700 0.019 0.000 0.820 1061 I N 2.620 123.176 120.570 -0.024 0.000 2.208 1061 I HA -0.238 3.932 4.170 0.000 0.000 0.245 1061 I C 2.126 178.200 176.117 -0.072 0.000 1.097 1061 I CA 1.503 62.769 61.300 -0.056 0.000 1.363 1061 I CB -0.569 37.356 38.000 -0.124 0.000 1.051 1061 I HN 0.237 nan 8.210 nan 0.000 0.413 1062 V N -2.053 117.839 119.914 -0.036 0.000 2.720 1062 V HA -0.190 3.930 4.120 0.000 0.000 0.256 1062 V C 2.036 178.125 176.094 -0.007 0.000 1.082 1062 V CA 1.563 63.850 62.300 -0.022 0.000 1.101 1062 V CB -0.779 31.066 31.823 0.037 0.000 0.693 1062 V HN 0.431 nan 8.190 nan 0.000 0.479 1063 E N 0.855 121.059 120.200 0.006 0.000 2.112 1063 E HA 0.019 4.369 4.350 0.000 0.000 0.190 1063 E C 2.397 179.014 176.600 0.030 0.000 0.979 1063 E CA 1.130 57.540 56.400 0.017 0.000 0.814 1063 E CB -0.129 29.584 29.700 0.021 0.000 0.762 1063 E HN 0.702 nan 8.360 nan 0.000 0.460 1064 A N 1.729 124.576 122.820 0.044 0.000 1.930 1064 A HA -0.153 4.167 4.320 0.000 0.000 0.217 1064 A C 1.989 179.644 177.584 0.117 0.000 1.175 1064 A CA 1.067 53.170 52.037 0.110 0.000 0.627 1064 A CB -0.151 18.971 19.000 0.205 0.000 0.815 1064 A HN -0.018 nan 8.150 nan 0.000 0.443 1065 K N 0.198 120.594 120.400 -0.007 0.000 2.147 1065 K HA -0.113 4.207 4.320 0.000 0.000 0.205 1065 K C 1.874 178.473 176.600 -0.001 0.000 1.049 1065 K CA 1.472 57.720 56.287 -0.065 0.000 0.936 1065 K CB -0.273 32.111 32.500 -0.195 0.000 0.722 1065 K HN 0.495 nan 8.250 nan 0.000 0.446 1066 K N 0.713 121.116 120.400 0.004 0.000 2.032 1066 K HA -0.063 4.257 4.320 0.000 0.000 0.209 1066 K C 2.238 178.849 176.600 0.019 0.000 1.048 1066 K CA 1.245 57.538 56.287 0.010 0.000 0.927 1066 K CB -0.110 32.397 32.500 0.012 0.000 0.712 1066 K HN 0.069 nan 8.250 nan 0.000 0.441 1067 I N 0.324 120.916 120.570 0.037 0.000 2.193 1067 I HA -0.173 3.998 4.170 0.000 0.000 0.240 1067 I C 0.776 176.905 176.117 0.020 0.000 1.084 1067 I CA 1.004 62.326 61.300 0.036 0.000 1.365 1067 I CB 0.110 38.148 38.000 0.064 0.000 1.064 1067 I HN 0.057 nan 8.210 nan 0.000 0.410 1068 L N 1.525 122.788 121.223 0.068 0.000 2.433 1068 L HA 0.243 4.583 4.340 0.000 0.000 0.256 1068 L C -1.969 174.990 176.870 0.148 0.000 1.063 1068 L CA -1.244 53.635 54.840 0.065 0.000 0.922 1068 L CB 1.359 43.462 42.059 0.072 0.000 1.238 1068 L HN -0.090 nan 8.230 nan 0.000 0.466 1069 P HA 0.007 nan 4.420 nan 0.000 0.224 1069 P C 0.669 178.037 177.300 0.114 0.000 1.157 1069 P CA 0.813 63.958 63.100 0.076 0.000 0.799 1069 P CB 0.320 32.032 31.700 0.020 0.000 0.809 1070 N N -0.447 118.303 118.700 0.083 0.000 2.276 1070 N HA 0.186 4.926 4.740 0.000 0.000 0.212 1070 N C 0.444 176.001 175.510 0.079 0.000 1.127 1070 N CA -0.035 53.058 53.050 0.072 0.000 0.834 1070 N CB 0.203 38.702 38.487 0.020 0.000 1.014 1070 N HN 0.073 nan 8.380 nan 0.000 0.491 1071 A N 0.315 123.212 122.820 0.129 0.000 2.313 1071 A HA 0.419 4.739 4.320 0.000 0.000 0.261 1071 A C 0.517 178.077 177.584 -0.040 0.000 1.090 1071 A CA -0.286 51.729 52.037 -0.036 0.000 0.807 1071 A CB 0.677 19.543 19.000 -0.224 0.000 1.055 1071 A HN -0.004 nan 8.150 nan 0.000 0.492 1072 V N 0.498 120.307 119.914 -0.175 0.000 2.607 1072 V HA 0.267 4.387 4.120 0.000 0.000 0.289 1072 V C -0.973 174.959 176.094 -0.270 0.000 1.053 1072 V CA 0.303 62.560 62.300 -0.072 0.000 0.996 1072 V CB 0.505 32.308 31.823 -0.033 0.000 0.995 1072 V HN 0.691 nan 8.190 nan 0.000 0.476 1073 Y N 4.514 124.858 120.300 0.073 0.000 2.594 1073 Y HA 0.530 5.080 4.550 0.000 0.000 0.338 1073 Y C -0.111 175.888 175.900 0.165 0.000 1.019 1073 Y CA -0.462 57.697 58.100 0.099 0.000 1.306 1073 Y CB 1.095 39.617 38.460 0.103 0.000 1.094 1073 Y HN 0.406 nan 8.280 nan 0.000 0.534 1074 L N 5.702 127.058 121.223 0.223 0.000 2.357 1074 L HA 0.538 4.878 4.340 0.000 0.000 0.273 1074 L C -2.173 174.879 176.870 0.304 0.000 1.080 1074 L CA -2.139 52.840 54.840 0.232 0.000 0.803 1074 L CB 1.139 43.291 42.059 0.154 0.000 1.174 1074 L HN 0.277 nan 8.230 nan 0.000 0.443 1075 P HA 0.046 nan 4.420 nan 0.000 0.274 1075 P C -0.868 176.556 177.300 0.206 0.000 1.231 1075 P CA -0.543 62.795 63.100 0.397 0.000 0.790 1075 P CB 0.992 32.903 31.700 0.351 0.000 0.951 1076 M N 3.454 123.153 119.600 0.164 0.000 2.156 1076 M HA 0.118 4.598 4.480 0.000 0.000 0.345 1076 M C 0.330 176.591 176.300 -0.065 0.000 1.398 1076 M CA -0.086 55.293 55.300 0.132 0.000 1.148 1076 M CB -0.024 32.647 32.600 0.117 0.000 1.663 1076 M HN 0.205 nan 8.290 nan 0.000 0.464 1077 R N 3.891 124.183 120.500 -0.347 0.000 3.657 1077 R HA 0.070 4.411 4.340 0.000 0.000 0.220 1077 R C 0.745 176.436 176.300 -1.014 0.000 1.548 1077 R CA -0.298 55.436 56.100 -0.611 0.000 1.465 1077 R CB 0.108 30.056 30.300 -0.585 0.000 1.330 1077 R HN 0.622 nan 8.270 nan 0.000 0.707 1078 K N 1.693 121.777 120.400 -0.527 0.000 2.218 1078 K HA -0.221 4.099 4.320 0.000 0.000 0.205 1078 K C 0.848 177.288 176.600 -0.266 0.000 1.046 1078 K CA 1.753 57.830 56.287 -0.349 0.000 0.933 1078 K CB 0.349 32.780 32.500 -0.114 0.000 0.728 1078 K HN 0.365 nan 8.250 nan 0.000 0.454 1079 E N -0.855 119.192 120.200 -0.255 0.000 2.076 1079 E HA -0.072 4.278 4.350 0.000 0.000 0.190 1079 E C 1.947 178.457 176.600 -0.150 0.000 0.979 1079 E CA 1.046 57.370 56.400 -0.127 0.000 0.807 1079 E CB -0.257 29.396 29.700 -0.078 0.000 0.761 1079 E HN -0.002 nan 8.360 nan 0.000 0.454 1080 V N 0.967 120.707 119.914 -0.290 0.000 2.255 1080 V HA -0.296 3.824 4.120 0.000 0.000 0.247 1080 V C 1.952 177.970 176.094 -0.126 0.000 1.051 1080 V CA 1.867 64.024 62.300 -0.237 0.000 1.018 1080 V CB -0.711 30.913 31.823 -0.333 0.000 0.641 1080 V HN 0.238 nan 8.190 nan 0.000 0.445 1081 Y N 0.269 120.492 120.300 -0.128 0.000 2.145 1081 Y HA -0.229 4.321 4.550 0.000 0.000 0.286 1081 Y C 2.610 178.553 175.900 0.071 0.000 1.145 1081 Y CA 1.338 59.353 58.100 -0.141 0.000 1.148 1081 Y CB -1.300 37.002 38.460 -0.262 0.000 0.981 1081 Y HN 0.257 nan 8.280 nan 0.000 0.507 1082 Q N 0.688 120.601 119.800 0.188 0.000 2.181 1082 Q HA -0.189 4.151 4.340 0.000 0.000 0.205 1082 Q C 1.958 178.052 176.000 0.156 0.000 0.980 1082 Q CA 1.681 57.600 55.803 0.193 0.000 0.862 1082 Q CB -0.278 28.532 28.738 0.120 0.000 0.905 1082 Q HN 0.601 nan 8.270 nan 0.000 0.429 1083 Q N -1.116 118.745 119.800 0.102 0.000 1.993 1083 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 1083 Q C 2.075 178.142 176.000 0.110 0.000 0.984 1083 Q CA 1.882 57.734 55.803 0.081 0.000 0.837 1083 Q CB -0.105 28.658 28.738 0.041 0.000 0.902 1083 Q HN 0.285 nan 8.270 nan 0.000 0.423 1084 V N 0.650 120.647 119.914 0.138 0.000 2.392 1084 V HA -0.287 3.833 4.120 0.000 0.000 0.249 1084 V C 2.387 178.602 176.094 0.201 0.000 1.059 1084 V CA 1.844 64.233 62.300 0.149 0.000 1.051 1084 V CB -0.801 31.120 31.823 0.164 0.000 0.658 1084 V HN 0.388 nan 8.190 nan 0.000 0.455 1085 S N 0.472 116.382 115.700 0.350 0.000 2.365 1085 S HA -0.257 4.213 4.470 0.000 0.000 0.221 1085 S C 2.220 176.945 174.600 0.208 0.000 1.037 1085 S CA 2.385 60.800 58.200 0.357 0.000 1.060 1085 S CB -0.518 62.929 63.200 0.412 0.000 0.974 1085 S HN 0.635 nan 8.310 nan 0.000 0.427 1086 S N 1.364 117.161 115.700 0.161 0.000 2.402 1086 S HA -0.055 4.415 4.470 0.000 0.000 0.233 1086 S C 1.977 176.625 174.600 0.080 0.000 1.030 1086 S CA 1.020 59.285 58.200 0.107 0.000 1.003 1086 S CB -0.406 62.844 63.200 0.083 0.000 0.813 1086 S HN 0.470 nan 8.310 nan 0.000 0.477 1087 R N 0.354 120.896 120.500 0.070 0.000 2.090 1087 R HA 0.117 4.457 4.340 0.000 0.000 0.228 1087 R C 2.089 178.404 176.300 0.025 0.000 1.110 1087 R CA 1.043 57.167 56.100 0.041 0.000 0.973 1087 R CB -0.332 29.985 30.300 0.028 0.000 0.869 1087 R HN 0.432 nan 8.270 nan 0.000 0.440 1088 I N 0.258 120.834 120.570 0.010 0.000 2.500 1088 I HA -0.194 3.976 4.170 0.000 0.000 0.252 1088 I C 2.109 178.264 176.117 0.062 0.000 1.142 1088 I CA 0.658 61.939 61.300 -0.031 0.000 1.451 1088 I CB -0.060 37.796 38.000 -0.240 0.000 1.093 1088 I HN 0.071 nan 8.210 nan 0.000 0.430 1089 M N 0.240 119.910 119.600 0.116 0.000 2.229 1089 M HA -0.121 4.359 4.480 0.000 0.000 0.264 1089 M C 1.850 178.196 176.300 0.077 0.000 1.063 1089 M CA 1.436 56.801 55.300 0.107 0.000 1.114 1089 M CB -1.463 31.198 32.600 0.102 0.000 1.387 1089 M HN 0.234 nan 8.290 nan 0.000 0.420 1090 N N 0.820 119.560 118.700 0.068 0.000 2.142 1090 N HA -0.075 4.665 4.740 0.000 0.000 0.186 1090 N C 1.814 177.367 175.510 0.072 0.000 1.023 1090 N CA 0.870 53.956 53.050 0.060 0.000 0.852 1090 N CB -0.367 38.148 38.487 0.048 0.000 0.998 1090 N HN 0.317 nan 8.380 nan 0.000 0.424 1091 L N 0.464 121.728 121.223 0.067 0.000 2.362 1091 L HA 0.035 4.375 4.340 0.000 0.000 0.219 1091 L C 1.688 178.641 176.870 0.139 0.000 1.134 1091 L CA 0.541 55.435 54.840 0.089 0.000 0.807 1091 L CB 0.045 42.130 42.059 0.044 0.000 0.927 1091 L HN 0.115 nan 8.230 nan 0.000 0.447 1092 L N -1.361 119.920 121.223 0.098 0.000 2.270 1092 L HA -0.056 4.284 4.340 0.000 0.000 0.210 1092 L C 2.549 179.527 176.870 0.181 0.000 1.104 1092 L CA 0.487 55.385 54.840 0.096 0.000 0.804 1092 L CB -0.315 41.762 42.059 0.031 0.000 0.937 1092 L HN 0.133 nan 8.230 nan 0.000 0.450 1093 R N 0.046 120.628 120.500 0.137 0.000 2.120 1093 R HA -0.135 4.205 4.340 0.000 0.000 0.234 1093 R C 2.072 178.441 176.300 0.116 0.000 1.123 1093 R CA 0.827 56.994 56.100 0.113 0.000 0.975 1093 R CB -0.009 30.337 30.300 0.075 0.000 0.866 1093 R HN 0.313 nan 8.270 nan 0.000 0.446 1094 E N -0.266 120.013 120.200 0.131 0.000 2.147 1094 E HA -0.249 4.101 4.350 0.000 0.000 0.199 1094 E C 1.616 178.184 176.600 -0.054 0.000 1.005 1094 E CA 1.650 58.064 56.400 0.024 0.000 0.810 1094 E CB -0.243 29.450 29.700 -0.012 0.000 0.736 1094 E HN 0.555 nan 8.360 nan 0.000 0.460 1095 Y N -0.505 119.802 120.300 0.012 0.000 2.448 1095 Y HA 0.123 4.673 4.550 0.000 0.000 0.289 1095 Y C 1.289 177.200 175.900 0.018 0.000 1.114 1095 Y CA 0.276 58.384 58.100 0.013 0.000 1.235 1095 Y CB 0.778 39.245 38.460 0.012 0.000 1.045 1095 Y HN -0.181 nan 8.280 nan 0.000 0.554 1096 S N -0.838 114.962 115.700 0.167 0.000 2.535 1096 S HA 0.168 4.638 4.470 0.000 0.000 0.272 1096 S C 0.230 174.878 174.600 0.079 0.000 1.149 1096 S CA -0.664 57.598 58.200 0.103 0.000 0.888 1096 S CB 1.041 64.305 63.200 0.106 0.000 1.110 1096 S HN 0.391 nan 8.310 nan 0.000 0.463 1097 E N 2.736 122.970 120.200 0.058 0.000 2.076 1097 E HA 0.072 4.422 4.350 0.000 0.000 0.190 1097 E C -0.135 176.497 176.600 0.054 0.000 0.979 1097 E CA 0.637 57.066 56.400 0.049 0.000 0.807 1097 E CB -0.164 29.557 29.700 0.035 0.000 0.761 1097 E HN 0.428 nan 8.360 nan 0.000 0.454 1098 K N 1.380 121.815 120.400 0.057 0.000 2.310 1098 K HA 0.402 4.722 4.320 0.000 0.000 0.290 1098 K C -0.725 175.923 176.600 0.081 0.000 1.077 1098 K CA -0.046 56.279 56.287 0.063 0.000 0.922 1098 K CB 1.106 33.640 32.500 0.057 0.000 1.057 1098 K HN 0.203 nan 8.250 nan 0.000 0.479 1099 I N 1.918 122.539 120.570 0.085 0.000 2.651 1099 I HA 0.074 4.244 4.170 0.000 0.000 0.287 1099 I C -1.472 174.709 176.117 0.106 0.000 1.244 1099 I CA -0.379 60.980 61.300 0.098 0.000 1.061 1099 I CB 1.525 39.573 38.000 0.080 0.000 1.286 1099 I HN 0.646 nan 8.210 nan 0.000 0.434 1100 E N 8.536 128.829 120.200 0.154 0.000 2.014 1100 E HA 0.289 4.639 4.350 0.000 0.000 0.275 1100 E C -0.719 175.971 176.600 0.150 0.000 0.997 1100 E CA -0.754 55.752 56.400 0.177 0.000 0.804 1100 E CB 0.833 30.689 29.700 0.260 0.000 1.090 1100 E HN 0.489 nan 8.360 nan 0.000 0.401 1101 I N 4.745 125.365 120.570 0.084 0.000 2.494 1101 I HA -0.023 4.147 4.170 0.000 0.000 0.289 1101 I C 1.158 177.298 176.117 0.039 0.000 1.106 1101 I CA 0.400 61.714 61.300 0.023 0.000 1.369 1101 I CB 0.296 38.311 38.000 0.025 0.000 1.410 1101 I HN 0.691 nan 8.210 nan 0.000 0.523 1102 A N 5.770 128.577 122.820 -0.022 0.000 1.898 1102 A HA 0.075 4.395 4.320 0.000 0.000 0.214 1102 A C 1.107 178.695 177.584 0.007 0.000 1.183 1102 A CA 1.297 53.352 52.037 0.031 0.000 0.622 1102 A CB 0.114 19.081 19.000 -0.055 0.000 0.824 1102 A HN 0.754 nan 8.150 nan 0.000 0.444 1103 S N -2.939 112.722 115.700 -0.065 0.000 2.724 1103 S HA 0.382 4.852 4.470 0.000 0.000 0.278 1103 S C 0.527 175.095 174.600 -0.054 0.000 1.190 1103 S CA 0.124 58.305 58.200 -0.033 0.000 0.860 1103 S CB -0.110 63.070 63.200 -0.033 0.000 1.206 1103 S HN 0.503 nan 8.310 nan 0.000 0.507 1104 I N 1.169 121.760 120.570 0.035 0.000 2.800 1104 I HA -0.078 4.092 4.170 0.000 0.000 0.266 1104 I C 0.766 176.878 176.117 -0.008 0.000 1.249 1104 I CA 2.150 63.525 61.300 0.126 0.000 1.458 1104 I CB -0.182 38.007 38.000 0.315 0.000 1.093 1104 I HN 0.769 nan 8.210 nan 0.000 0.466 1105 D N -0.925 119.292 120.400 -0.306 0.000 2.556 1105 D HA 0.127 4.767 4.640 0.000 0.000 0.237 1105 D C -0.165 175.355 176.300 -1.300 0.000 1.296 1105 D CA -0.198 53.278 54.000 -0.874 0.000 0.807 1105 D CB -0.001 40.421 40.800 -0.630 0.000 1.084 1105 D HN 0.331 nan 8.370 nan 0.000 0.510 1106 E N 0.131 119.828 120.200 -0.838 0.000 2.272 1106 E HA 0.719 5.069 4.350 0.000 0.000 0.269 1106 E C -1.381 174.850 176.600 -0.614 0.000 0.877 1106 E CA -1.185 54.748 56.400 -0.779 0.000 0.755 1106 E CB 2.530 31.984 29.700 -0.410 0.000 1.192 1106 E HN 0.192 nan 8.360 nan 0.000 0.422 1107 A N 2.782 125.185 122.820 -0.695 0.000 2.466 1107 A HA 0.484 4.805 4.320 0.000 0.000 0.284 1107 A C -1.762 175.665 177.584 -0.262 0.000 1.049 1107 A CA -0.680 51.129 52.037 -0.379 0.000 0.760 1107 A CB 0.411 19.263 19.000 -0.246 0.000 1.274 1107 A HN 0.516 nan 8.150 nan 0.000 0.412 1108 Y N 1.827 122.222 120.300 0.157 0.000 2.316 1108 Y HA 0.545 5.095 4.550 0.000 0.000 0.331 1108 Y C -0.054 175.912 175.900 0.110 0.000 1.083 1108 Y CA -0.536 57.690 58.100 0.209 0.000 1.206 1108 Y CB 0.925 39.505 38.460 0.199 0.000 1.195 1108 Y HN 0.474 nan 8.280 nan 0.000 0.497 1109 L N 3.624 124.990 121.223 0.237 0.000 2.333 1109 L HA 0.311 4.651 4.340 0.000 0.000 0.280 1109 L C -0.410 176.550 176.870 0.150 0.000 1.004 1109 L CA -0.696 54.238 54.840 0.156 0.000 0.820 1109 L CB 1.327 43.450 42.059 0.105 0.000 1.247 1109 L HN 0.531 nan 8.230 nan 0.000 0.416 1110 D N 3.380 123.852 120.400 0.120 0.000 2.317 1110 D HA 0.277 4.917 4.640 0.000 0.000 0.252 1110 D C 0.477 176.823 176.300 0.077 0.000 1.174 1110 D CA 0.045 54.100 54.000 0.092 0.000 0.866 1110 D CB 0.770 41.613 40.800 0.072 0.000 1.127 1110 D HN 0.511 nan 8.370 nan 0.000 0.467 1111 I N 0.415 121.024 120.570 0.066 0.000 3.658 1111 I HA 0.211 4.381 4.170 0.000 0.000 0.328 1111 I C 0.716 176.845 176.117 0.021 0.000 1.567 1111 I CA -0.513 60.818 61.300 0.051 0.000 1.078 1111 I CB 0.460 38.497 38.000 0.061 0.000 1.267 1111 I HN -0.009 nan 8.210 nan 0.000 0.495 1112 S N 1.405 117.115 115.700 0.016 0.000 2.469 1112 S HA -0.086 4.384 4.470 0.000 0.000 0.238 1112 S C 1.094 175.691 174.600 -0.006 0.000 0.998 1112 S CA 1.430 59.627 58.200 -0.004 0.000 0.957 1112 S CB -0.230 62.971 63.200 0.003 0.000 0.764 1112 S HN 0.600 nan 8.310 nan 0.000 0.514 1113 D N 0.342 120.746 120.400 0.006 0.000 2.389 1113 D HA 0.107 4.747 4.640 0.000 0.000 0.206 1113 D C 1.427 177.731 176.300 0.006 0.000 1.055 1113 D CA 0.326 54.329 54.000 0.004 0.000 0.856 1113 D CB 0.147 40.952 40.800 0.009 0.000 0.957 1113 D HN 0.260 nan 8.370 nan 0.000 0.509 1114 K N 0.700 121.107 120.400 0.012 0.000 2.334 1114 K HA 0.137 4.457 4.320 0.000 0.000 0.195 1114 K C 1.050 177.658 176.600 0.014 0.000 1.045 1114 K CA 0.268 56.567 56.287 0.020 0.000 1.004 1114 K CB 1.655 34.182 32.500 0.044 0.000 0.837 1114 K HN 0.142 nan 8.250 nan 0.000 0.510 1115 V N -2.568 117.344 119.914 -0.003 0.000 3.182 1115 V HA 0.558 4.678 4.120 0.000 0.000 0.308 1115 V C -0.427 175.640 176.094 -0.046 0.000 1.240 1115 V CA -1.195 61.095 62.300 -0.017 0.000 1.063 1115 V CB 2.687 34.500 31.823 -0.018 0.000 1.076 1115 V HN 0.007 nan 8.190 nan 0.000 0.446 1116 R N 0.991 121.458 120.500 -0.056 0.000 2.569 1116 R HA 0.387 4.727 4.340 0.000 0.000 0.429 1116 R C -1.647 174.602 176.300 -0.086 0.000 0.994 1116 R CA 0.378 56.436 56.100 -0.069 0.000 1.089 1116 R CB 0.095 30.372 30.300 -0.037 0.000 1.420 1116 R HN 1.143 nan 8.270 nan 0.000 0.615 1117 D N -2.650 117.668 120.400 -0.136 0.000 2.820 1117 D HA -0.014 4.626 4.640 0.000 0.000 0.244 1117 D C -0.209 176.018 176.300 -0.121 0.000 1.106 1117 D CA -0.660 53.274 54.000 -0.110 0.000 0.741 1117 D CB -0.042 40.749 40.800 -0.016 0.000 2.042 1117 D HN -0.241 nan 8.370 nan 0.000 0.459 1118 Y N 0.587 120.909 120.300 0.036 0.000 2.153 1118 Y HA 0.134 4.684 4.550 0.000 0.000 0.289 1118 Y C 2.645 178.584 175.900 0.065 0.000 1.119 1118 Y CA 1.136 59.268 58.100 0.053 0.000 1.116 1118 Y CB -0.135 38.346 38.460 0.036 0.000 1.004 1118 Y HN 0.461 nan 8.280 nan 0.000 0.501 1119 R N 0.814 121.426 120.500 0.186 0.000 2.152 1119 R HA -0.113 4.227 4.340 0.000 0.000 0.232 1119 R C 0.506 176.856 176.300 0.084 0.000 1.117 1119 R CA 1.426 57.566 56.100 0.067 0.000 0.981 1119 R CB -0.065 30.233 30.300 -0.003 0.000 0.870 1119 R HN 0.408 nan 8.270 nan 0.000 0.451 1120 E N -1.327 118.928 120.200 0.092 0.000 2.499 1120 E HA 0.129 4.479 4.350 0.000 0.000 0.207 1120 E C 0.099 176.756 176.600 0.096 0.000 1.034 1120 E CA 0.018 56.473 56.400 0.091 0.000 1.098 1120 E CB 1.361 31.092 29.700 0.053 0.000 1.148 1120 E HN 0.359 nan 8.360 nan 0.000 0.447 1121 A N -0.044 122.856 122.820 0.132 0.000 2.026 1121 A HA -0.003 4.317 4.320 0.000 0.000 0.198 1121 A C 1.669 179.353 177.584 0.167 0.000 1.390 1121 A CA -0.172 51.935 52.037 0.116 0.000 0.915 1121 A CB -0.459 18.582 19.000 0.069 0.000 0.974 1121 A HN 0.384 nan 8.150 nan 0.000 0.477 1122 Y N 2.475 122.818 120.300 0.072 0.000 2.240 1122 Y HA -0.415 4.135 4.550 0.000 0.000 0.278 1122 Y C 2.038 177.964 175.900 0.043 0.000 1.247 1122 Y CA 2.374 60.511 58.100 0.062 0.000 1.183 1122 Y CB -0.301 38.198 38.460 0.066 0.000 0.956 1122 Y HN 0.385 nan 8.280 nan 0.000 0.533 1123 N N 0.459 119.283 118.700 0.207 0.000 2.018 1123 N HA -0.249 4.491 4.740 0.000 0.000 0.196 1123 N C 1.811 177.325 175.510 0.008 0.000 1.043 1123 N CA 1.791 54.900 53.050 0.098 0.000 0.856 1123 N CB -0.910 37.644 38.487 0.112 0.000 1.042 1123 N HN 0.412 nan 8.380 nan 0.000 0.423 1124 L N 1.248 122.493 121.223 0.036 0.000 2.013 1124 L HA -0.083 4.257 4.340 0.000 0.000 0.212 1124 L C 2.248 179.077 176.870 -0.068 0.000 1.073 1124 L CA 1.947 56.808 54.840 0.034 0.000 0.753 1124 L CB -1.215 40.891 42.059 0.078 0.000 0.890 1124 L HN 0.222 nan 8.230 nan 0.000 0.432 1125 G N -0.816 107.920 108.800 -0.106 0.000 2.446 1125 G HA2 -0.260 3.700 3.960 0.000 0.000 0.217 1125 G HA3 -0.260 3.700 3.960 0.000 0.000 0.217 1125 G C 1.626 176.395 174.900 -0.219 0.000 1.168 1125 G CA 1.089 46.086 45.100 -0.173 0.000 0.771 1125 G HN 0.424 nan 8.290 nan 0.000 0.551 1126 L N -0.074 120.980 121.223 -0.281 0.000 2.083 1126 L HA -0.032 4.308 4.340 0.000 0.000 0.209 1126 L C 2.756 179.552 176.870 -0.123 0.000 1.083 1126 L CA 1.277 55.980 54.840 -0.229 0.000 0.752 1126 L CB -0.329 41.580 42.059 -0.249 0.000 0.899 1126 L HN 0.327 nan 8.230 nan 0.000 0.433 1127 E N 0.357 120.508 120.200 -0.082 0.000 2.204 1127 E HA -0.181 4.169 4.350 0.000 0.000 0.194 1127 E C 2.317 178.882 176.600 -0.058 0.000 0.989 1127 E CA 0.667 57.054 56.400 -0.022 0.000 0.824 1127 E CB 0.165 29.898 29.700 0.056 0.000 0.756 1127 E HN 0.467 nan 8.360 nan 0.000 0.477 1128 I N 0.612 121.084 120.570 -0.163 0.000 2.233 1128 I HA -0.245 3.925 4.170 0.000 0.000 0.243 1128 I C 2.148 178.158 176.117 -0.178 0.000 1.093 1128 I CA 1.037 62.173 61.300 -0.273 0.000 1.380 1128 I CB -0.088 37.692 38.000 -0.366 0.000 1.067 1128 I HN 0.038 nan 8.210 nan 0.000 0.413 1129 K N 0.684 120.993 120.400 -0.152 0.000 2.152 1129 K HA -0.187 4.133 4.320 0.000 0.000 0.206 1129 K C 1.737 178.279 176.600 -0.097 0.000 1.048 1129 K CA 1.422 57.634 56.287 -0.125 0.000 0.933 1129 K CB -0.180 32.248 32.500 -0.120 0.000 0.721 1129 K HN 0.321 nan 8.250 nan 0.000 0.447 1130 N N 0.809 119.463 118.700 -0.077 0.000 2.216 1130 N HA -0.115 4.625 4.740 0.000 0.000 0.183 1130 N C 1.606 177.094 175.510 -0.036 0.000 1.017 1130 N CA 1.007 54.028 53.050 -0.048 0.000 0.861 1130 N CB -0.033 38.437 38.487 -0.029 0.000 0.986 1130 N HN 0.047 nan 8.380 nan 0.000 0.428 1131 K N 1.311 121.693 120.400 -0.031 0.000 2.025 1131 K HA 0.126 4.446 4.320 0.000 0.000 0.207 1131 K C 1.980 178.557 176.600 -0.038 0.000 1.049 1131 K CA 0.679 56.963 56.287 -0.006 0.000 0.933 1131 K CB -0.348 32.180 32.500 0.047 0.000 0.714 1131 K HN 0.049 nan 8.250 nan 0.000 0.438 1132 I N 0.365 120.887 120.570 -0.080 0.000 2.127 1132 I HA -0.280 3.890 4.170 0.000 0.000 0.241 1132 I C 2.068 178.124 176.117 -0.101 0.000 1.075 1132 I CA 0.861 62.092 61.300 -0.115 0.000 1.334 1132 I CB -0.327 37.569 38.000 -0.173 0.000 1.040 1132 I HN 0.193 nan 8.210 nan 0.000 0.405 1133 L N 0.755 121.923 121.223 -0.091 0.000 2.129 1133 L HA -0.243 4.097 4.340 0.000 0.000 0.212 1133 L C 2.243 179.082 176.870 -0.052 0.000 1.087 1133 L CA 1.924 56.719 54.840 -0.074 0.000 0.757 1133 L CB -0.723 41.298 42.059 -0.064 0.000 0.896 1133 L HN 0.267 nan 8.230 nan 0.000 0.434 1134 E N -1.042 119.134 120.200 -0.041 0.000 2.060 1134 E HA -0.108 4.242 4.350 0.000 0.000 0.189 1134 E C 1.954 178.539 176.600 -0.026 0.000 0.974 1134 E CA 0.515 56.899 56.400 -0.027 0.000 0.808 1134 E CB -0.006 29.684 29.700 -0.016 0.000 0.768 1134 E HN 0.431 nan 8.360 nan 0.000 0.453 1135 K N 0.317 120.700 120.400 -0.029 0.000 2.366 1135 K HA -0.040 4.280 4.320 0.000 0.000 0.198 1135 K C 0.987 177.567 176.600 -0.033 0.000 1.044 1135 K CA 0.770 57.042 56.287 -0.024 0.000 0.973 1135 K CB 0.393 32.883 32.500 -0.018 0.000 0.767 1135 K HN 0.037 nan 8.250 nan 0.000 0.475 1136 E N -0.436 119.734 120.200 -0.050 0.000 2.712 1136 E HA 0.042 4.392 4.350 0.000 0.000 0.221 1136 E C -0.464 176.104 176.600 -0.053 0.000 0.943 1136 E CA 0.028 56.395 56.400 -0.055 0.000 1.259 1136 E CB 0.912 30.559 29.700 -0.089 0.000 1.167 1136 E HN 0.006 nan 8.360 nan 0.000 0.569 1137 K N 0.807 121.176 120.400 -0.052 0.000 3.069 1137 K HA -0.176 4.144 4.320 0.000 0.000 0.267 1137 K C 0.011 176.573 176.600 -0.064 0.000 1.082 1137 K CA 0.682 56.941 56.287 -0.046 0.000 0.782 1137 K CB -1.608 30.876 32.500 -0.027 0.000 1.230 1137 K HN 0.162 nan 8.250 nan 0.000 0.488 1138 I N 1.444 121.954 120.570 -0.099 0.000 2.433 1138 I HA 0.157 4.327 4.170 0.000 0.000 0.292 1138 I C 1.081 177.105 176.117 -0.155 0.000 1.001 1138 I CA -0.439 60.781 61.300 -0.134 0.000 1.119 1138 I CB 1.822 39.719 38.000 -0.172 0.000 1.289 1138 I HN 0.100 nan 8.210 nan 0.000 0.438 1139 T N 4.180 118.642 114.554 -0.155 0.000 2.909 1139 T HA 0.742 5.092 4.350 0.000 0.000 0.289 1139 T C 0.093 174.707 174.700 -0.143 0.000 1.005 1139 T CA -0.578 61.440 62.100 -0.137 0.000 1.084 1139 T CB 1.778 70.577 68.868 -0.114 0.000 0.975 1139 T HN 0.473 nan 8.240 nan 0.000 0.509 1140 V N -0.981 118.868 119.914 -0.108 0.000 3.156 1140 V HA 0.934 5.054 4.120 0.000 0.000 0.311 1140 V C -0.549 175.505 176.094 -0.068 0.000 1.208 1140 V CA -1.102 61.160 62.300 -0.063 0.000 1.063 1140 V CB 1.720 33.525 31.823 -0.031 0.000 1.098 1140 V HN 1.062 nan 8.190 nan 0.000 0.452 1141 T N 0.622 115.133 114.554 -0.072 0.000 2.876 1141 T HA 0.780 5.130 4.350 0.000 0.000 0.289 1141 T C -0.651 173.993 174.700 -0.093 0.000 1.014 1141 T CA -0.490 61.571 62.100 -0.064 0.000 0.986 1141 T CB 1.676 70.528 68.868 -0.027 0.000 1.021 1141 T HN 0.853 nan 8.240 nan 0.000 0.458 1142 V N 0.734 120.620 119.914 -0.047 0.000 2.815 1142 V HA 0.982 5.102 4.120 0.000 0.000 0.314 1142 V C 0.339 176.484 176.094 0.084 0.000 1.064 1142 V CA -0.871 61.415 62.300 -0.025 0.000 0.952 1142 V CB 2.083 33.875 31.823 -0.052 0.000 1.020 1142 V HN 1.159 nan 8.190 nan 0.000 0.439 1143 G N 2.374 111.277 108.800 0.173 0.000 2.741 1143 G HA2 0.726 4.686 3.960 0.000 0.000 0.293 1143 G HA3 0.726 4.686 3.960 0.000 0.000 0.293 1143 G C -1.439 173.606 174.900 0.242 0.000 1.457 1143 G CA -0.390 44.848 45.100 0.230 0.000 1.098 1143 G HN 0.583 nan 8.290 nan 0.000 0.536 1144 I N 1.872 122.568 120.570 0.211 0.000 2.439 1144 I HA 0.655 4.825 4.170 0.000 0.000 0.285 1144 I C -0.074 176.180 176.117 0.229 0.000 1.021 1144 I CA -0.575 60.874 61.300 0.249 0.000 1.091 1144 I CB 1.998 40.167 38.000 0.282 0.000 1.242 1144 I HN 0.506 nan 8.210 nan 0.000 0.439 1145 S N 3.833 119.699 115.700 0.277 0.000 2.661 1145 S HA 0.250 4.720 4.470 0.000 0.000 0.268 1145 S C 0.531 175.316 174.600 0.308 0.000 1.162 1145 S CA -0.754 57.572 58.200 0.210 0.000 0.817 1145 S CB 1.473 64.740 63.200 0.111 0.000 1.141 1145 S HN 0.767 nan 8.310 nan 0.000 0.477 1146 K N 0.625 121.166 120.400 0.235 0.000 2.281 1146 K HA -0.087 4.233 4.320 0.000 0.000 0.203 1146 K C 0.296 176.996 176.600 0.166 0.000 1.046 1146 K CA 1.567 57.984 56.287 0.217 0.000 0.938 1146 K CB -0.640 31.937 32.500 0.129 0.000 0.737 1146 K HN 0.551 nan 8.250 nan 0.000 0.458 1147 N N -0.713 118.093 118.700 0.177 0.000 3.020 1147 N HA 0.138 4.878 4.740 0.000 0.000 0.248 1147 N C -0.448 175.138 175.510 0.126 0.000 1.480 1147 N CA -1.030 52.127 53.050 0.177 0.000 0.874 1147 N CB 1.024 39.675 38.487 0.274 0.000 1.433 1147 N HN -0.230 nan 8.380 nan 0.000 0.530 1148 K N -0.266 120.160 120.400 0.043 0.000 1.991 1148 K HA -0.081 4.239 4.320 0.000 0.000 0.212 1148 K C 1.504 177.981 176.600 -0.205 0.000 1.049 1148 K CA 1.928 58.099 56.287 -0.193 0.000 0.932 1148 K CB -0.567 31.651 32.500 -0.469 0.000 0.717 1148 K HN 0.298 nan 8.250 nan 0.000 0.441 1149 V N 0.908 120.659 119.914 -0.272 0.000 2.250 1149 V HA -0.272 3.848 4.120 0.000 0.000 0.250 1149 V C 2.082 177.943 176.094 -0.388 0.000 1.060 1149 V CA 1.952 64.006 62.300 -0.411 0.000 1.030 1149 V CB -0.496 30.931 31.823 -0.660 0.000 0.643 1149 V HN 0.209 nan 8.190 nan 0.000 0.445 1150 F N -0.080 119.773 119.950 -0.161 0.000 2.367 1150 F HA 0.107 4.634 4.527 0.000 0.000 0.298 1150 F C 2.257 178.026 175.800 -0.052 0.000 1.094 1150 F CA 0.856 58.795 58.000 -0.102 0.000 1.409 1150 F CB -0.677 38.269 39.000 -0.091 0.000 1.064 1150 F HN 0.074 nan 8.300 nan 0.000 0.528 1151 A N 0.018 122.911 122.820 0.123 0.000 1.933 1151 A HA -0.235 4.085 4.320 0.000 0.000 0.218 1151 A C 2.219 179.826 177.584 0.037 0.000 1.175 1151 A CA 1.886 54.005 52.037 0.138 0.000 0.628 1151 A CB -0.615 18.512 19.000 0.210 0.000 0.814 1151 A HN 0.341 nan 8.150 nan 0.000 0.444 1152 K N -0.147 120.113 120.400 -0.235 0.000 2.103 1152 K HA 0.015 4.335 4.320 0.000 0.000 0.204 1152 K C 1.695 178.204 176.600 -0.151 0.000 1.052 1152 K CA 1.269 57.256 56.287 -0.499 0.000 0.945 1152 K CB -0.274 31.824 32.500 -0.670 0.000 0.722 1152 K HN 0.533 nan 8.250 nan 0.000 0.443 1153 I N 0.831 121.319 120.570 -0.137 0.000 2.394 1153 I HA -0.177 3.993 4.170 0.000 0.000 0.251 1153 I C 2.467 178.595 176.117 0.018 0.000 1.136 1153 I CA 0.844 62.095 61.300 -0.083 0.000 1.425 1153 I CB -0.639 37.268 38.000 -0.155 0.000 1.079 1153 I HN 0.185 nan 8.210 nan 0.000 0.425 1154 A N 1.676 124.536 122.820 0.065 0.000 1.884 1154 A HA -0.277 4.043 4.320 0.000 0.000 0.219 1154 A C 2.620 180.273 177.584 0.116 0.000 1.197 1154 A CA 2.547 54.646 52.037 0.104 0.000 0.637 1154 A CB -1.011 18.071 19.000 0.137 0.000 0.827 1154 A HN 0.453 nan 8.150 nan 0.000 0.450 1155 A N -0.553 122.369 122.820 0.171 0.000 1.933 1155 A HA -0.194 4.126 4.320 0.000 0.000 0.218 1155 A C 1.784 179.446 177.584 0.131 0.000 1.175 1155 A CA 1.923 54.075 52.037 0.192 0.000 0.628 1155 A CB -0.604 18.632 19.000 0.393 0.000 0.814 1155 A HN 0.523 nan 8.150 nan 0.000 0.444 1156 D N -0.407 120.055 120.400 0.103 0.000 2.117 1156 D HA -0.131 4.509 4.640 0.000 0.000 0.197 1156 D C 1.987 178.323 176.300 0.059 0.000 0.987 1156 D CA 1.476 55.518 54.000 0.070 0.000 0.829 1156 D CB -0.328 40.490 40.800 0.030 0.000 0.961 1156 D HN 0.505 nan 8.370 nan 0.000 0.460 1157 M N 0.621 120.253 119.600 0.052 0.000 2.159 1157 M HA -0.083 4.397 4.480 0.000 0.000 0.263 1157 M C 2.139 178.468 176.300 0.050 0.000 1.063 1157 M CA 1.219 56.547 55.300 0.046 0.000 1.110 1157 M CB -0.118 32.508 32.600 0.044 0.000 1.374 1157 M HN -0.079 nan 8.290 nan 0.000 0.411 1158 A N -0.025 122.829 122.820 0.056 0.000 2.225 1158 A HA -0.103 4.217 4.320 0.000 0.000 0.215 1158 A C 1.395 179.001 177.584 0.037 0.000 1.164 1158 A CA 1.174 53.239 52.037 0.046 0.000 0.710 1158 A CB -0.577 18.452 19.000 0.048 0.000 0.780 1158 A HN 0.550 nan 8.150 nan 0.000 0.473 1159 K N -1.667 118.767 120.400 0.057 0.000 1.721 1159 K HA -0.277 4.043 4.320 0.000 0.000 0.121 1159 K C -1.704 174.921 176.600 0.042 0.000 1.152 1159 K CA 2.046 58.381 56.287 0.080 0.000 0.360 1159 K CB -1.809 30.743 32.500 0.085 0.000 0.626 1159 K HN 0.335 nan 8.250 nan 0.000 0.878 1160 P HA 0.013 nan 4.420 nan 0.000 0.209 1160 P C -0.293 176.954 177.300 -0.089 0.000 1.185 1160 P CA 1.196 64.207 63.100 -0.148 0.000 0.902 1160 P CB -0.115 31.269 31.700 -0.525 0.000 0.750 1161 N N 0.110 118.751 118.700 -0.098 0.000 2.801 1161 N HA 0.427 5.167 4.740 0.000 0.000 0.235 1161 N C -0.469 175.014 175.510 -0.046 0.000 1.069 1161 N CA -0.340 52.668 53.050 -0.070 0.000 0.946 1161 N CB -0.038 38.407 38.487 -0.070 0.000 1.212 1161 N HN 0.143 nan 8.380 nan 0.000 0.509 1162 G N 1.583 110.361 108.800 -0.036 0.000 2.721 1162 G HA2 0.602 4.562 3.960 0.000 0.000 0.296 1162 G HA3 0.602 4.562 3.960 0.000 0.000 0.296 1162 G C -1.656 173.232 174.900 -0.020 0.000 1.383 1162 G CA -0.517 44.574 45.100 -0.014 0.000 0.788 1162 G HN 0.398 nan 8.290 nan 0.000 0.500 1163 I N 0.032 120.609 120.570 0.013 0.000 2.654 1163 I HA 0.534 4.704 4.170 0.000 0.000 0.282 1163 I C -1.651 174.547 176.117 0.135 0.000 1.258 1163 I CA -0.711 60.593 61.300 0.007 0.000 1.088 1163 I CB 1.742 39.640 38.000 -0.171 0.000 1.316 1163 I HN 0.499 nan 8.210 nan 0.000 0.448 1164 K N 6.604 127.088 120.400 0.139 0.000 2.318 1164 K HA 0.816 5.136 4.320 0.000 0.000 0.249 1164 K C -1.686 175.017 176.600 0.171 0.000 0.942 1164 K CA -0.577 55.803 56.287 0.155 0.000 0.808 1164 K CB 2.086 34.652 32.500 0.110 0.000 1.189 1164 K HN 0.314 nan 8.250 nan 0.000 0.428 1165 V N 2.466 122.464 119.914 0.140 0.000 2.482 1165 V HA 0.565 4.685 4.120 0.000 0.000 0.295 1165 V C -0.300 175.782 176.094 -0.021 0.000 1.026 1165 V CA -0.707 61.654 62.300 0.102 0.000 0.856 1165 V CB 1.210 33.114 31.823 0.135 0.000 1.001 1165 V HN 0.703 nan 8.190 nan 0.000 0.424 1166 I N 5.337 125.851 120.570 -0.093 0.000 2.620 1166 I HA 0.278 4.448 4.170 0.000 0.000 0.280 1166 I C 0.218 176.081 176.117 -0.423 0.000 1.143 1166 I CA -0.338 60.862 61.300 -0.167 0.000 1.163 1166 I CB 0.710 38.690 38.000 -0.035 0.000 1.461 1166 I HN 0.843 nan 8.210 nan 0.000 0.530 1167 D N 2.508 122.583 120.400 -0.541 0.000 2.380 1167 D HA -0.048 4.592 4.640 0.000 0.000 0.254 1167 D C 0.563 176.638 176.300 -0.374 0.000 1.288 1167 D CA -0.195 53.377 54.000 -0.713 0.000 1.008 1167 D CB 0.788 41.293 40.800 -0.493 0.000 1.099 1167 D HN 0.160 nan 8.370 nan 0.000 0.537 1168 D N -0.877 119.371 120.400 -0.254 0.000 2.411 1168 D HA -0.090 4.550 4.640 0.000 0.000 0.226 1168 D C 1.208 177.416 176.300 -0.154 0.000 0.988 1168 D CA 0.569 54.460 54.000 -0.182 0.000 0.938 1168 D CB 0.061 40.799 40.800 -0.102 0.000 0.883 1168 D HN 0.345 nan 8.370 nan 0.000 0.525 1169 E N 0.283 120.396 120.200 -0.146 0.000 2.318 1169 E HA -0.059 4.291 4.350 0.000 0.000 0.193 1169 E C 1.629 178.167 176.600 -0.103 0.000 0.998 1169 E CA 0.548 56.885 56.400 -0.105 0.000 0.859 1169 E CB 0.224 29.874 29.700 -0.083 0.000 0.812 1169 E HN 0.582 nan 8.360 nan 0.000 0.492 1170 E N 0.240 120.361 120.200 -0.131 0.000 2.421 1170 E HA 0.047 4.397 4.350 0.000 0.000 0.209 1170 E C 2.171 178.680 176.600 -0.151 0.000 0.871 1170 E CA 0.208 56.546 56.400 -0.103 0.000 1.064 1170 E CB -0.424 29.238 29.700 -0.063 0.000 1.075 1170 E HN -0.041 nan 8.360 nan 0.000 0.513 1171 V N 2.572 122.311 119.914 -0.291 0.000 2.282 1171 V HA -0.281 3.839 4.120 0.000 0.000 0.249 1171 V C 2.403 178.256 176.094 -0.402 0.000 1.057 1171 V CA 2.405 64.352 62.300 -0.589 0.000 1.032 1171 V CB -0.614 30.774 31.823 -0.724 0.000 0.645 1171 V HN 0.213 nan 8.190 nan 0.000 0.447 1172 K N -0.381 119.871 120.400 -0.247 0.000 2.057 1172 K HA -0.173 4.147 4.320 0.000 0.000 0.207 1172 K C 2.428 178.975 176.600 -0.088 0.000 1.049 1172 K CA 1.393 57.592 56.287 -0.146 0.000 0.931 1172 K CB -0.245 32.188 32.500 -0.111 0.000 0.714 1172 K HN 0.296 nan 8.250 nan 0.000 0.440 1173 R N 1.034 121.487 120.500 -0.078 0.000 2.115 1173 R HA -0.023 4.317 4.340 0.000 0.000 0.226 1173 R C 2.068 178.364 176.300 -0.007 0.000 1.100 1173 R CA 0.813 56.890 56.100 -0.038 0.000 0.980 1173 R CB 0.018 30.295 30.300 -0.038 0.000 0.875 1173 R HN 0.156 nan 8.270 nan 0.000 0.445 1174 L N 0.100 121.332 121.223 0.015 0.000 2.270 1174 L HA -0.033 4.307 4.340 0.000 0.000 0.210 1174 L C 2.206 179.144 176.870 0.113 0.000 1.104 1174 L CA 0.455 55.351 54.840 0.093 0.000 0.804 1174 L CB -0.150 42.039 42.059 0.217 0.000 0.937 1174 L HN 0.196 nan 8.230 nan 0.000 0.450 1175 I N -0.080 120.549 120.570 0.098 0.000 2.194 1175 I HA -0.345 3.825 4.170 0.000 0.000 0.246 1175 I C 2.702 178.842 176.117 0.038 0.000 1.093 1175 I CA 1.527 62.877 61.300 0.083 0.000 1.355 1175 I CB -0.228 37.793 38.000 0.035 0.000 1.046 1175 I HN 0.254 nan 8.210 nan 0.000 0.413 1176 R N 0.368 120.879 120.500 0.019 0.000 2.075 1176 R HA -0.018 4.322 4.340 0.000 0.000 0.226 1176 R C 0.510 176.817 176.300 0.012 0.000 1.114 1176 R CA 0.886 56.991 56.100 0.010 0.000 0.972 1176 R CB 0.009 30.308 30.300 -0.001 0.000 0.869 1176 R HN 0.357 nan 8.270 nan 0.000 0.437 1177 E N 0.783 120.993 120.200 0.017 0.000 3.786 1177 E HA 0.188 4.538 4.350 0.000 0.000 0.215 1177 E C -1.502 175.109 176.600 0.019 0.000 1.188 1177 E CA -0.227 56.181 56.400 0.014 0.000 1.248 1177 E CB 1.018 30.723 29.700 0.008 0.000 1.260 1177 E HN -0.099 nan 8.360 nan 0.000 0.426 1178 L N 0.798 122.032 121.223 0.018 0.000 2.493 1178 L HA 0.348 4.688 4.340 0.000 0.000 0.265 1178 L C -1.088 175.781 176.870 -0.002 0.000 0.954 1178 L CA -0.686 54.160 54.840 0.010 0.000 0.844 1178 L CB 1.836 43.905 42.059 0.017 0.000 1.302 1178 L HN 0.027 nan 8.230 nan 0.000 0.405 1179 D N 3.204 123.599 120.400 -0.007 0.000 2.450 1179 D HA -0.054 4.586 4.640 0.000 0.000 0.247 1179 D C 1.327 177.617 176.300 -0.017 0.000 1.162 1179 D CA 0.175 54.170 54.000 -0.009 0.000 0.879 1179 D CB 1.086 41.881 40.800 -0.009 0.000 1.163 1179 D HN 0.699 nan 8.370 nan 0.000 0.472 1180 I N 4.801 125.364 120.570 -0.012 0.000 2.335 1180 I HA -0.252 3.918 4.170 0.000 0.000 0.251 1180 I C 2.106 178.213 176.117 -0.017 0.000 1.129 1180 I CA 1.560 62.853 61.300 -0.012 0.000 1.402 1180 I CB -0.128 37.871 38.000 -0.002 0.000 1.069 1180 I HN 0.533 nan 8.210 nan 0.000 0.424 1181 A N -0.972 121.838 122.820 -0.016 0.000 2.209 1181 A HA -0.103 4.217 4.320 0.000 0.000 0.212 1181 A C 1.511 179.079 177.584 -0.027 0.000 1.158 1181 A CA 1.340 53.366 52.037 -0.018 0.000 0.742 1181 A CB -0.645 18.346 19.000 -0.015 0.000 0.790 1181 A HN 0.443 nan 8.150 nan 0.000 0.472 1182 D N -0.717 119.663 120.400 -0.034 0.000 2.325 1182 D HA 0.215 4.855 4.640 0.000 0.000 0.225 1182 D C -0.144 176.110 176.300 -0.076 0.000 1.096 1182 D CA 0.197 54.170 54.000 -0.046 0.000 0.844 1182 D CB 0.363 41.139 40.800 -0.039 0.000 0.925 1182 D HN 0.141 nan 8.370 nan 0.000 0.513 1183 V N 1.768 121.639 119.914 -0.072 0.000 2.509 1183 V HA 0.266 4.386 4.120 0.000 0.000 0.284 1183 V C -2.006 174.052 176.094 -0.060 0.000 1.047 1183 V CA -1.984 60.258 62.300 -0.097 0.000 0.952 1183 V CB 1.493 33.275 31.823 -0.070 0.000 0.988 1183 V HN -0.059 nan 8.190 nan 0.000 0.469 1184 P HA 0.134 nan 4.420 nan 0.000 0.262 1184 P C 0.873 178.137 177.300 -0.060 0.000 1.182 1184 P CA 1.413 64.478 63.100 -0.058 0.000 0.761 1184 P CB 0.366 32.025 31.700 -0.070 0.000 0.795 1185 G N 2.632 111.365 108.800 -0.111 0.000 2.148 1185 G HA2 -0.202 3.758 3.960 0.000 0.000 0.254 1185 G HA3 -0.202 3.758 3.960 0.000 0.000 0.254 1185 G C -0.009 174.814 174.900 -0.127 0.000 0.981 1185 G CA -0.439 44.551 45.100 -0.184 0.000 0.670 1185 G HN 0.494 nan 8.290 nan 0.000 0.528 1186 I N 1.274 121.806 120.570 -0.063 0.000 2.448 1186 I HA 0.548 4.718 4.170 0.000 0.000 0.281 1186 I C 0.955 177.052 176.117 -0.032 0.000 1.027 1186 I CA 0.060 61.340 61.300 -0.035 0.000 1.111 1186 I CB 0.719 38.717 38.000 -0.005 0.000 1.236 1186 I HN 0.150 nan 8.210 nan 0.000 0.452 1187 G N 4.785 113.567 108.800 -0.031 0.000 3.008 1187 G HA2 0.281 4.241 3.960 0.000 0.000 0.181 1187 G HA3 0.281 4.241 3.960 0.000 0.000 0.181 1187 G C 0.613 175.501 174.900 -0.020 0.000 1.309 1187 G CA -0.338 44.747 45.100 -0.026 0.000 1.009 1187 G HN 0.557 nan 8.290 nan 0.000 0.584 1188 N N -0.658 118.032 118.700 -0.017 0.000 2.084 1188 N HA -0.100 4.640 4.740 0.000 0.000 0.190 1188 N C 2.066 177.568 175.510 -0.013 0.000 1.030 1188 N CA 0.621 53.663 53.050 -0.014 0.000 0.849 1188 N CB -0.013 38.466 38.487 -0.013 0.000 1.012 1188 N HN 0.168 nan 8.380 nan 0.000 0.423 1189 I N 1.086 121.648 120.570 -0.014 0.000 2.353 1189 I HA -0.123 4.047 4.170 0.000 0.000 0.248 1189 I C 1.983 178.093 176.117 -0.011 0.000 1.119 1189 I CA 1.346 62.638 61.300 -0.012 0.000 1.417 1189 I CB -1.233 36.759 38.000 -0.014 0.000 1.078 1189 I HN 0.143 nan 8.210 nan 0.000 0.421 1190 T N 1.132 115.678 114.554 -0.013 0.000 2.851 1190 T HA 0.017 4.367 4.350 0.000 0.000 0.262 1190 T C 2.059 176.757 174.700 -0.004 0.000 1.043 1190 T CA 1.182 63.276 62.100 -0.009 0.000 1.140 1190 T CB -0.182 68.679 68.868 -0.012 0.000 0.872 1190 T HN 0.377 nan 8.240 nan 0.000 0.446 1191 A N 1.587 124.403 122.820 -0.007 0.000 1.972 1191 A HA -0.094 4.226 4.320 0.000 0.000 0.219 1191 A C 2.310 179.891 177.584 -0.004 0.000 1.169 1191 A CA 1.114 53.148 52.037 -0.005 0.000 0.635 1191 A CB -0.324 18.672 19.000 -0.008 0.000 0.810 1191 A HN 0.276 nan 8.150 nan 0.000 0.446 1192 E N -0.161 120.036 120.200 -0.005 0.000 2.152 1192 E HA -0.111 4.239 4.350 0.000 0.000 0.192 1192 E C 1.800 178.398 176.600 -0.003 0.000 0.983 1192 E CA 0.870 57.268 56.400 -0.004 0.000 0.818 1192 E CB -0.107 29.589 29.700 -0.006 0.000 0.758 1192 E HN 0.366 nan 8.360 nan 0.000 0.467 1193 K N 0.484 120.882 120.400 -0.003 0.000 2.147 1193 K HA -0.019 4.301 4.320 0.000 0.000 0.205 1193 K C 2.010 178.611 176.600 0.002 0.000 1.049 1193 K CA 0.603 56.889 56.287 -0.001 0.000 0.936 1193 K CB -0.171 32.328 32.500 -0.001 0.000 0.722 1193 K HN 0.124 nan 8.250 nan 0.000 0.446 1194 L N -0.443 120.783 121.223 0.003 0.000 2.416 1194 L HA 0.034 4.374 4.340 0.000 0.000 0.216 1194 L C 1.925 178.797 176.870 0.004 0.000 1.098 1194 L CA 0.411 55.255 54.840 0.006 0.000 0.840 1194 L CB -0.140 41.925 42.059 0.009 0.000 0.981 1194 L HN 0.057 nan 8.230 nan 0.000 0.462 1195 K N 0.486 120.887 120.400 0.002 0.000 2.063 1195 K HA -0.153 4.167 4.320 0.000 0.000 0.208 1195 K C 1.810 178.411 176.600 0.001 0.000 1.048 1195 K CA 1.132 57.419 56.287 0.001 0.000 0.928 1195 K CB 0.044 32.544 32.500 -0.001 0.000 0.713 1195 K HN 0.095 nan 8.250 nan 0.000 0.442 1196 K N 0.561 120.961 120.400 0.000 0.000 2.555 1196 K HA -0.036 4.284 4.320 0.000 0.000 0.193 1196 K C 1.291 177.891 176.600 0.000 0.000 1.032 1196 K CA 0.762 57.049 56.287 -0.000 0.000 1.004 1196 K CB 0.212 32.711 32.500 -0.002 0.000 0.804 1196 K HN 0.219 nan 8.250 nan 0.000 0.496 1197 L N -1.202 120.022 121.223 0.003 0.000 3.016 1197 L HA 0.178 4.519 4.340 0.000 0.000 0.267 1197 L C 1.091 177.964 176.870 0.005 0.000 1.182 1197 L CA 0.161 55.004 54.840 0.004 0.000 0.997 1197 L CB 0.751 42.813 42.059 0.006 0.000 1.354 1197 L HN 0.280 nan 8.230 nan 0.000 0.569 1198 G N 0.816 109.618 108.800 0.004 0.000 2.299 1198 G HA2 -0.282 3.678 3.960 0.000 0.000 0.237 1198 G HA3 -0.282 3.678 3.960 0.000 0.000 0.237 1198 G C 0.433 175.337 174.900 0.006 0.000 1.027 1198 G CA -0.199 44.904 45.100 0.005 0.000 0.619 1198 G HN 0.200 nan 8.290 nan 0.000 0.513 1199 I N 2.609 123.184 120.570 0.008 0.000 2.576 1199 I HA 0.077 4.247 4.170 0.000 0.000 0.288 1199 I C 0.957 177.078 176.117 0.007 0.000 1.126 1199 I CA 0.055 61.361 61.300 0.010 0.000 1.362 1199 I CB 0.327 38.335 38.000 0.015 0.000 1.419 1199 I HN 0.188 nan 8.210 nan 0.000 0.533 1200 N N 5.274 123.978 118.700 0.005 0.000 2.407 1200 N HA 0.104 4.844 4.740 0.000 0.000 0.182 1200 N C 0.210 175.721 175.510 0.002 0.000 1.079 1200 N CA 0.337 53.389 53.050 0.003 0.000 0.882 1200 N CB 0.621 39.109 38.487 0.002 0.000 1.106 1200 N HN 0.437 nan 8.380 nan 0.000 0.461 1201 K N 0.641 121.044 120.400 0.005 0.000 2.295 1201 K HA 0.302 4.622 4.320 0.000 0.000 0.239 1201 K C 0.950 177.554 176.600 0.007 0.000 0.991 1201 K CA -0.614 55.676 56.287 0.005 0.000 0.845 1201 K CB 1.907 34.411 32.500 0.007 0.000 1.197 1201 K HN -0.131 nan 8.250 nan 0.000 0.441 1202 L N 1.375 122.603 121.223 0.007 0.000 2.201 1202 L HA -0.126 4.214 4.340 0.000 0.000 0.212 1202 L C 2.008 178.885 176.870 0.011 0.000 1.105 1202 L CA 0.852 55.696 54.840 0.006 0.000 0.775 1202 L CB 0.074 42.136 42.059 0.005 0.000 0.913 1202 L HN 0.458 nan 8.230 nan 0.000 0.440 1203 V N -0.229 119.693 119.914 0.013 0.000 2.427 1203 V HA -0.278 3.842 4.120 0.000 0.000 0.248 1203 V C 1.739 177.839 176.094 0.011 0.000 1.051 1203 V CA 2.338 64.644 62.300 0.010 0.000 1.048 1203 V CB -0.290 31.538 31.823 0.007 0.000 0.666 1203 V HN 0.505 nan 8.190 nan 0.000 0.456 1204 D N 0.425 120.832 120.400 0.011 0.000 2.265 1204 D HA -0.152 4.488 4.640 0.000 0.000 0.208 1204 D C 2.300 178.611 176.300 0.019 0.000 0.977 1204 D CA 1.738 55.746 54.000 0.013 0.000 0.871 1204 D CB -0.445 40.361 40.800 0.011 0.000 0.925 1204 D HN 0.734 nan 8.370 nan 0.000 0.485 1205 T N -1.485 113.082 114.554 0.022 0.000 2.929 1205 T HA -0.109 4.241 4.350 0.000 0.000 0.271 1205 T C 1.966 176.689 174.700 0.038 0.000 1.085 1205 T CA 0.592 62.711 62.100 0.033 0.000 1.125 1205 T CB -0.434 68.455 68.868 0.035 0.000 0.874 1205 T HN 0.204 nan 8.240 nan 0.000 0.494 1206 L N 0.976 122.215 121.223 0.027 0.000 2.395 1206 L HA 0.101 4.441 4.340 0.000 0.000 0.218 1206 L C 2.296 179.183 176.870 0.029 0.000 1.130 1206 L CA 0.588 55.444 54.840 0.026 0.000 0.826 1206 L CB -0.405 41.662 42.059 0.014 0.000 0.941 1206 L HN 0.270 nan 8.230 nan 0.000 0.451 1207 S N 0.633 116.348 115.700 0.025 0.000 2.701 1207 S HA 0.279 4.749 4.470 0.000 0.000 0.220 1207 S C 0.429 175.044 174.600 0.025 0.000 0.954 1207 S CA 0.130 58.343 58.200 0.021 0.000 0.936 1207 S CB -0.421 62.788 63.200 0.015 0.000 0.777 1207 S HN 0.345 nan 8.310 nan 0.000 0.518 1208 I N -1.668 118.923 120.570 0.035 0.000 2.775 1208 I HA 0.438 4.608 4.170 0.000 0.000 0.295 1208 I C -0.929 175.225 176.117 0.060 0.000 1.287 1208 I CA -1.153 60.169 61.300 0.037 0.000 1.029 1208 I CB 1.579 39.595 38.000 0.027 0.000 1.282 1208 I HN -0.230 nan 8.210 nan 0.000 0.426 1209 E N 3.094 123.328 120.200 0.056 0.000 2.413 1209 E HA 0.026 4.376 4.350 0.000 0.000 0.263 1209 E C 0.263 176.923 176.600 0.099 0.000 1.015 1209 E CA -0.027 56.428 56.400 0.090 0.000 0.916 1209 E CB 0.807 30.539 29.700 0.052 0.000 0.947 1209 E HN 0.722 nan 8.360 nan 0.000 0.440 1210 F N 1.936 121.891 119.950 0.008 0.000 2.722 1210 F HA -0.076 4.451 4.527 0.000 0.000 0.298 1210 F C 0.871 176.677 175.800 0.011 0.000 1.175 1210 F CA 0.627 58.634 58.000 0.011 0.000 1.462 1210 F CB 0.153 39.161 39.000 0.014 0.000 1.111 1210 F HN 0.301 nan 8.300 nan 0.000 0.592 1211 D N 0.876 120.990 120.400 -0.477 0.000 2.249 1211 D HA -0.066 4.574 4.640 0.000 0.000 0.205 1211 D C 1.886 178.079 176.300 -0.177 0.000 0.962 1211 D CA 0.702 54.453 54.000 -0.416 0.000 0.860 1211 D CB -0.062 40.519 40.800 -0.365 0.000 0.955 1211 D HN 0.226 nan 8.370 nan 0.000 0.505 1212 K N 0.323 120.664 120.400 -0.098 0.000 2.211 1212 K HA -0.025 4.295 4.320 0.000 0.000 0.203 1212 K C 1.717 178.302 176.600 -0.025 0.000 1.050 1212 K CA 0.305 56.564 56.287 -0.046 0.000 0.945 1212 K CB -0.093 32.395 32.500 -0.019 0.000 0.732 1212 K HN 0.030 nan 8.250 nan 0.000 0.451 1213 L N 0.379 121.596 121.223 -0.010 0.000 2.221 1213 L HA 0.099 4.439 4.340 0.000 0.000 0.202 1213 L C 1.929 178.804 176.870 0.008 0.000 1.074 1213 L CA 1.385 56.236 54.840 0.018 0.000 0.795 1213 L CB -0.420 41.677 42.059 0.064 0.000 0.960 1213 L HN 0.021 nan 8.230 nan 0.000 0.458 1214 K N -0.464 119.925 120.400 -0.019 0.000 2.052 1214 K HA -0.235 4.085 4.320 0.000 0.000 0.215 1214 K C 1.683 178.267 176.600 -0.028 0.000 1.053 1214 K CA 1.892 58.160 56.287 -0.031 0.000 0.934 1214 K CB -0.672 31.750 32.500 -0.130 0.000 0.717 1214 K HN 0.485 nan 8.250 nan 0.000 0.450 1215 G N -0.306 108.468 108.800 -0.043 0.000 2.848 1215 G HA2 -0.103 3.857 3.960 0.000 0.000 0.208 1215 G HA3 -0.103 3.857 3.960 0.000 0.000 0.208 1215 G C 1.101 175.989 174.900 -0.020 0.000 1.152 1215 G CA 0.153 45.233 45.100 -0.034 0.000 0.789 1215 G HN 0.249 nan 8.290 nan 0.000 0.531 1216 M N -0.004 119.588 119.600 -0.012 0.000 2.514 1216 M HA 0.402 4.882 4.480 0.000 0.000 0.258 1216 M C 1.646 177.945 176.300 -0.002 0.000 1.159 1216 M CA 0.538 55.835 55.300 -0.006 0.000 1.116 1216 M CB 0.427 33.025 32.600 -0.003 0.000 1.333 1216 M HN 0.347 nan 8.290 nan 0.000 0.487 1217 I N -4.169 116.403 120.570 0.004 0.000 4.620 1217 I HA 0.582 4.752 4.170 0.000 0.000 0.347 1217 I C 0.564 176.688 176.117 0.011 0.000 1.302 1217 I CA -0.027 61.278 61.300 0.008 0.000 1.277 1217 I CB 0.066 38.077 38.000 0.017 0.000 1.566 1217 I HN 0.230 nan 8.210 nan 0.000 0.547 1218 G N 2.094 110.900 108.800 0.011 0.000 2.760 1218 G HA2 -0.257 3.703 3.960 0.000 0.000 0.246 1218 G HA3 -0.257 3.703 3.960 0.000 0.000 0.246 1218 G C 0.078 175.004 174.900 0.043 0.000 1.359 1218 G CA 0.416 45.526 45.100 0.017 0.000 0.861 1218 G HN 0.459 nan 8.290 nan 0.000 0.541 1219 E N -0.434 119.798 120.200 0.054 0.000 2.014 1219 E HA 0.132 4.482 4.350 0.000 0.000 0.190 1219 E C 3.017 179.681 176.600 0.106 0.000 0.980 1219 E CA 1.219 57.678 56.400 0.098 0.000 0.807 1219 E CB -0.263 29.494 29.700 0.094 0.000 0.770 1219 E HN 1.007 nan 8.360 nan 0.000 0.451 1220 A N 1.204 124.068 122.820 0.073 0.000 1.917 1220 A HA -0.246 4.074 4.320 0.000 0.000 0.219 1220 A C 2.055 179.698 177.584 0.099 0.000 1.182 1220 A CA 1.966 54.047 52.037 0.074 0.000 0.633 1220 A CB -0.414 18.605 19.000 0.031 0.000 0.819 1220 A HN 0.067 nan 8.150 nan 0.000 0.448 1221 K N -0.183 120.257 120.400 0.065 0.000 2.057 1221 K HA 0.106 4.426 4.320 0.000 0.000 0.206 1221 K C 2.214 178.918 176.600 0.173 0.000 1.050 1221 K CA 1.396 57.732 56.287 0.081 0.000 0.935 1221 K CB -0.687 31.828 32.500 0.025 0.000 0.715 1221 K HN 0.418 nan 8.250 nan 0.000 0.439 1222 A N 1.748 124.655 122.820 0.144 0.000 1.902 1222 A HA -0.224 4.096 4.320 0.000 0.000 0.217 1222 A C 1.911 179.596 177.584 0.168 0.000 1.181 1222 A CA 2.081 54.216 52.037 0.162 0.000 0.623 1222 A CB -0.475 18.635 19.000 0.183 0.000 0.818 1222 A HN 0.447 nan 8.150 nan 0.000 0.443 1223 K N -1.823 118.675 120.400 0.163 0.000 2.167 1223 K HA -0.117 4.203 4.320 0.000 0.000 0.203 1223 K C 2.002 178.676 176.600 0.123 0.000 1.052 1223 K CA 1.292 57.634 56.287 0.092 0.000 0.956 1223 K CB -0.579 31.952 32.500 0.051 0.000 0.735 1223 K HN 0.471 nan 8.250 nan 0.000 0.451 1224 Y N 2.369 122.703 120.300 0.057 0.000 2.070 1224 Y HA -0.163 4.387 4.550 0.000 0.000 0.280 1224 Y C 1.966 177.895 175.900 0.049 0.000 1.148 1224 Y CA 1.521 59.670 58.100 0.081 0.000 1.125 1224 Y CB -0.298 38.199 38.460 0.061 0.000 0.975 1224 Y HN -0.074 nan 8.280 nan 0.000 0.492 1225 L N -0.164 121.123 121.223 0.107 0.000 2.131 1225 L HA -0.221 4.119 4.340 0.000 0.000 0.210 1225 L C 2.390 179.221 176.870 -0.065 0.000 1.092 1225 L CA 1.249 56.065 54.840 -0.039 0.000 0.759 1225 L CB -0.392 41.725 42.059 0.096 0.000 0.903 1225 L HN 0.386 nan 8.230 nan 0.000 0.435 1226 I N -0.911 119.652 120.570 -0.012 0.000 2.286 1226 I HA -0.236 3.934 4.170 0.000 0.000 0.245 1226 I C 2.615 178.710 176.117 -0.036 0.000 1.104 1226 I CA 1.310 62.600 61.300 -0.017 0.000 1.397 1226 I CB -0.137 37.855 38.000 -0.014 0.000 1.072 1226 I HN 0.288 nan 8.210 nan 0.000 0.417 1227 S N 0.954 116.634 115.700 -0.033 0.000 2.419 1227 S HA -0.086 4.384 4.470 0.000 0.000 0.233 1227 S C 1.913 176.518 174.600 0.008 0.000 1.016 1227 S CA 0.826 59.025 58.200 -0.001 0.000 0.974 1227 S CB -0.652 62.577 63.200 0.049 0.000 0.786 1227 S HN 0.391 nan 8.310 nan 0.000 0.492 1228 L N 0.979 122.147 121.223 -0.092 0.000 2.131 1228 L HA 0.101 4.441 4.340 0.000 0.000 0.206 1228 L C 3.055 179.925 176.870 -0.001 0.000 1.087 1228 L CA 0.954 55.749 54.840 -0.075 0.000 0.767 1228 L CB -0.753 41.144 42.059 -0.269 0.000 0.917 1228 L HN 0.441 nan 8.230 nan 0.000 0.441 1229 A N -0.530 122.273 122.820 -0.027 0.000 2.070 1229 A HA -0.162 4.158 4.320 0.000 0.000 0.220 1229 A C 2.210 179.789 177.584 -0.009 0.000 1.159 1229 A CA 1.206 53.238 52.037 -0.007 0.000 0.656 1229 A CB -0.278 18.717 19.000 -0.009 0.000 0.800 1229 A HN 0.281 nan 8.150 nan 0.000 0.453 1230 R N 0.516 121.008 120.500 -0.013 0.000 2.662 1230 R HA 0.050 4.391 4.340 0.000 0.000 0.396 1230 R C -0.853 175.435 176.300 -0.019 0.000 1.096 1230 R CA 0.410 56.499 56.100 -0.019 0.000 1.081 1230 R CB -0.077 30.209 30.300 -0.024 0.000 1.382 1230 R HN 0.547 nan 8.270 nan 0.000 0.580 1231 D N 1.067 121.457 120.400 -0.015 0.000 5.309 1231 D HA -0.209 4.431 4.640 0.000 0.000 0.182 1231 D C -0.162 176.145 176.300 0.011 0.000 1.247 1231 D CA 0.897 54.897 54.000 -0.001 0.000 0.736 1231 D CB -0.493 40.269 40.800 -0.064 0.000 1.212 1231 D HN 0.443 nan 8.370 nan 0.000 0.637 1232 E N -0.513 119.702 120.200 0.025 0.000 2.501 1232 E HA -0.020 4.331 4.350 0.000 0.000 0.201 1232 E C -0.140 176.481 176.600 0.034 0.000 1.016 1232 E CA -0.634 55.774 56.400 0.013 0.000 0.920 1232 E CB 0.211 29.902 29.700 -0.015 0.000 1.023 1232 E HN 0.611 nan 8.360 nan 0.000 0.474 1233 Y N 1.785 122.055 120.300 -0.050 0.000 2.537 1233 Y HA 0.015 4.565 4.550 0.000 0.000 0.339 1233 Y C 0.937 176.820 175.900 -0.029 0.000 1.066 1233 Y CA 0.494 58.562 58.100 -0.052 0.000 1.357 1233 Y CB 0.237 38.649 38.460 -0.080 0.000 1.175 1233 Y HN -0.124 nan 8.280 nan 0.000 0.525 1234 N N 3.428 121.904 118.700 -0.373 0.000 2.171 1234 N HA -0.022 4.718 4.740 0.000 0.000 0.212 1234 N C -0.599 174.741 175.510 -0.282 0.000 1.184 1234 N CA 0.145 53.066 53.050 -0.215 0.000 0.888 1234 N CB 0.397 38.795 38.487 -0.150 0.000 1.038 1234 N HN 0.728 nan 8.380 nan 0.000 0.517 1235 E N 2.472 122.311 120.200 -0.600 0.000 2.608 1235 E HA -0.028 4.322 4.350 0.000 0.000 0.259 1235 E C -2.118 174.394 176.600 -0.146 0.000 0.951 1235 E CA -0.353 55.817 56.400 -0.383 0.000 0.945 1235 E CB 0.525 29.950 29.700 -0.458 0.000 0.916 1235 E HN 0.307 nan 8.360 nan 0.000 0.477 1236 P HA 0.288 nan 4.420 nan 0.000 0.290 1236 P C -0.312 176.978 177.300 -0.016 0.000 1.275 1236 P CA -0.728 62.350 63.100 -0.037 0.000 0.841 1236 P CB 0.766 32.449 31.700 -0.028 0.000 1.042 1237 I N 3.261 123.839 120.570 0.014 0.000 2.598 1237 I HA 0.118 4.288 4.170 0.000 0.000 0.284 1237 I C 1.089 177.238 176.117 0.054 0.000 1.140 1237 I CA 0.746 62.076 61.300 0.051 0.000 1.420 1237 I CB -0.507 37.551 38.000 0.097 0.000 1.387 1237 I HN 0.447 nan 8.210 nan 0.000 0.553 1238 R N 2.464 123.003 120.500 0.066 0.000 2.536 1238 R HA 0.469 4.809 4.340 0.000 0.000 0.269 1238 R C -0.958 175.385 176.300 0.072 0.000 1.113 1238 R CA -0.807 55.327 56.100 0.057 0.000 0.948 1238 R CB 0.033 30.354 30.300 0.036 0.000 1.237 1238 R HN 0.503 nan 8.270 nan 0.000 0.441 1239 T N 1.751 116.345 114.554 0.067 0.000 2.758 1239 T HA 0.107 4.457 4.350 0.000 0.000 0.281 1239 T C 0.205 174.948 174.700 0.070 0.000 0.963 1239 T CA -0.591 61.551 62.100 0.071 0.000 1.201 1239 T CB 0.080 68.983 68.868 0.059 0.000 0.906 1239 T HN 0.417 nan 8.240 nan 0.000 0.528 1240 R N 2.376 122.925 120.500 0.081 0.000 2.643 1240 R HA 0.350 4.691 4.340 0.000 0.000 0.270 1240 R C -0.132 176.214 176.300 0.076 0.000 1.061 1240 R CA -0.434 55.714 56.100 0.080 0.000 1.107 1240 R CB 0.592 30.947 30.300 0.091 0.000 0.999 1240 R HN 0.502 nan 8.270 nan 0.000 0.460 1241 V N 2.713 122.675 119.914 0.080 0.000 2.667 1241 V HA 0.255 4.375 4.120 0.000 0.000 0.308 1241 V C 0.400 176.562 176.094 0.113 0.000 1.048 1241 V CA -1.048 61.306 62.300 0.091 0.000 0.928 1241 V CB 1.831 33.713 31.823 0.097 0.000 1.004 1241 V HN 0.611 nan 8.190 nan 0.000 0.444 1242 R N 2.465 123.038 120.500 0.122 0.000 2.446 1242 R HA 0.081 4.421 4.340 0.000 0.000 0.325 1242 R C 0.842 177.313 176.300 0.285 0.000 0.997 1242 R CA 0.668 56.867 56.100 0.165 0.000 1.010 1242 R CB 0.009 30.380 30.300 0.118 0.000 0.946 1242 R HN 0.617 nan 8.270 nan 0.000 0.422 1243 K N 1.036 121.570 120.400 0.223 0.000 2.393 1243 K HA 0.092 4.412 4.320 0.000 0.000 0.193 1243 K C -0.117 176.552 176.600 0.114 0.000 1.026 1243 K CA 0.293 56.679 56.287 0.166 0.000 1.064 1243 K CB 0.513 33.057 32.500 0.074 0.000 0.833 1243 K HN 0.533 nan 8.250 nan 0.000 0.521 1244 S N 0.173 116.023 115.700 0.250 0.000 2.565 1244 S HA 0.512 4.982 4.470 0.000 0.000 0.274 1244 S C -1.817 172.975 174.600 0.319 0.000 1.144 1244 S CA -0.879 57.455 58.200 0.223 0.000 0.849 1244 S CB 1.027 64.287 63.200 0.100 0.000 1.103 1244 S HN 0.067 nan 8.310 nan 0.000 0.455 1245 I N 2.332 123.124 120.570 0.369 0.000 2.656 1245 I HA 0.737 4.907 4.170 0.000 0.000 0.292 1245 I C 0.390 176.680 176.117 0.288 0.000 1.144 1245 I CA -0.428 61.051 61.300 0.297 0.000 1.038 1245 I CB 2.247 40.408 38.000 0.269 0.000 1.244 1245 I HN 0.961 nan 8.210 nan 0.000 0.420 1246 G N 3.766 112.693 108.800 0.212 0.000 2.561 1246 G HA2 0.785 4.745 3.960 0.000 0.000 0.310 1246 G HA3 0.785 4.745 3.960 0.000 0.000 0.310 1246 G C -1.970 173.020 174.900 0.150 0.000 1.292 1246 G CA -0.626 44.582 45.100 0.179 0.000 0.811 1246 G HN 0.575 nan 8.290 nan 0.000 0.482 1247 R N -1.380 119.191 120.500 0.119 0.000 2.725 1247 R HA 0.583 4.923 4.340 0.000 0.000 0.254 1247 R C -2.298 174.051 176.300 0.082 0.000 1.076 1247 R CA -0.560 55.606 56.100 0.110 0.000 0.940 1247 R CB 1.220 31.603 30.300 0.139 0.000 1.260 1247 R HN 0.975 nan 8.270 nan 0.000 0.466 1248 I N 5.468 126.080 120.570 0.070 0.000 2.649 1248 I HA 0.369 4.539 4.170 0.000 0.000 0.275 1248 I C -0.872 175.276 176.117 0.051 0.000 1.153 1248 I CA -0.827 60.502 61.300 0.049 0.000 1.069 1248 I CB 1.253 39.270 38.000 0.028 0.000 1.227 1248 I HN 0.560 nan 8.210 nan 0.000 0.505 1249 V N 2.585 122.540 119.914 0.068 0.000 2.775 1249 V HA 0.517 4.637 4.120 0.000 0.000 0.299 1249 V C 0.510 176.617 176.094 0.022 0.000 1.062 1249 V CA 0.058 62.407 62.300 0.082 0.000 1.063 1249 V CB 0.906 32.826 31.823 0.163 0.000 0.994 1249 V HN 0.636 nan 8.190 nan 0.000 0.483 1250 T N 6.312 120.871 114.554 0.009 0.000 2.882 1250 T HA 0.568 4.918 4.350 0.000 0.000 0.287 1250 T C 0.012 174.606 174.700 -0.177 0.000 0.992 1250 T CA -0.335 61.726 62.100 -0.064 0.000 1.076 1250 T CB 1.091 69.948 68.868 -0.019 0.000 0.961 1250 T HN 0.708 nan 8.240 nan 0.000 0.490 1251 M N 1.902 121.294 119.600 -0.347 0.000 2.444 1251 M HA 0.368 4.848 4.480 0.000 0.000 0.319 1251 M C 1.438 177.566 176.300 -0.287 0.000 1.183 1251 M CA -0.832 54.059 55.300 -0.681 0.000 1.032 1251 M CB 1.051 33.177 32.600 -0.790 0.000 1.569 1251 M HN 0.446 nan 8.290 nan 0.000 0.468 1252 K N 1.176 121.468 120.400 -0.180 0.000 2.283 1252 K HA -0.047 4.273 4.320 0.000 0.000 0.202 1252 K C -0.236 176.343 176.600 -0.035 0.000 1.048 1252 K CA 1.217 57.501 56.287 -0.005 0.000 0.948 1252 K CB 0.231 32.796 32.500 0.108 0.000 0.742 1252 K HN 0.662 nan 8.250 nan 0.000 0.458 1253 R N -1.105 119.348 120.500 -0.080 0.000 2.629 1253 R HA 0.357 4.697 4.340 0.000 0.000 0.266 1253 R C -1.286 174.962 176.300 -0.087 0.000 1.051 1253 R CA -1.002 55.062 56.100 -0.061 0.000 0.895 1253 R CB 0.223 30.507 30.300 -0.027 0.000 1.246 1253 R HN -0.242 nan 8.270 nan 0.000 0.459 1254 N N 0.562 119.221 118.700 -0.069 0.000 2.453 1254 N HA 0.299 5.039 4.740 0.000 0.000 0.253 1254 N C -0.749 174.728 175.510 -0.055 0.000 1.252 1254 N CA 0.109 53.118 53.050 -0.069 0.000 0.917 1254 N CB 1.375 39.831 38.487 -0.051 0.000 1.117 1254 N HN 0.609 nan 8.380 nan 0.000 0.442 1255 S N -0.219 115.448 115.700 -0.055 0.000 2.587 1255 S HA 0.459 4.929 4.470 0.000 0.000 0.269 1255 S C -0.208 174.372 174.600 -0.032 0.000 1.154 1255 S CA -0.662 57.516 58.200 -0.037 0.000 0.824 1255 S CB 1.045 64.225 63.200 -0.033 0.000 1.118 1255 S HN 0.590 nan 8.310 nan 0.000 0.462 1256 R N 0.748 121.236 120.500 -0.020 0.000 2.509 1256 R HA 0.279 4.619 4.340 0.000 0.000 0.297 1256 R C -0.093 176.201 176.300 -0.009 0.000 0.951 1256 R CA -0.320 55.771 56.100 -0.016 0.000 1.103 1256 R CB 0.242 30.535 30.300 -0.013 0.000 1.283 1256 R HN 0.526 nan 8.270 nan 0.000 0.534 1257 N N 1.673 120.370 118.700 -0.005 0.000 2.468 1257 N HA -0.081 4.659 4.740 0.000 0.000 0.265 1257 N C 0.882 176.392 175.510 0.001 0.000 1.199 1257 N CA 0.106 53.158 53.050 0.003 0.000 0.928 1257 N CB 1.111 39.604 38.487 0.010 0.000 1.059 1257 N HN 0.039 nan 8.380 nan 0.000 0.467 1258 L N 4.031 125.255 121.223 0.002 0.000 2.027 1258 L HA 0.006 4.346 4.340 0.000 0.000 0.206 1258 L C 1.618 178.483 176.870 -0.008 0.000 1.074 1258 L CA 1.785 56.622 54.840 -0.006 0.000 0.745 1258 L CB -0.368 41.694 42.059 0.005 0.000 0.898 1258 L HN 0.580 nan 8.230 nan 0.000 0.433 1259 E N -0.264 119.943 120.200 0.011 0.000 2.511 1259 E HA -0.103 4.247 4.350 0.000 0.000 0.196 1259 E C 1.772 178.389 176.600 0.029 0.000 1.066 1259 E CA 0.378 56.790 56.400 0.020 0.000 0.871 1259 E CB 0.126 29.846 29.700 0.034 0.000 0.863 1259 E HN 0.680 nan 8.360 nan 0.000 0.520 1260 E N 0.076 120.300 120.200 0.040 0.000 2.216 1260 E HA 0.063 4.413 4.350 0.000 0.000 0.192 1260 E C 2.027 178.715 176.600 0.147 0.000 0.973 1260 E CA 0.126 56.578 56.400 0.086 0.000 0.851 1260 E CB 0.244 29.990 29.700 0.076 0.000 0.804 1260 E HN 0.187 nan 8.360 nan 0.000 0.477 1261 I N 1.316 121.927 120.570 0.068 0.000 2.193 1261 I HA -0.239 3.931 4.170 0.000 0.000 0.240 1261 I C 2.287 178.388 176.117 -0.025 0.000 1.084 1261 I CA 0.982 62.318 61.300 0.061 0.000 1.365 1261 I CB -0.147 37.837 38.000 -0.027 0.000 1.064 1261 I HN -0.027 nan 8.210 nan 0.000 0.410 1262 K N 0.631 120.911 120.400 -0.200 0.000 2.049 1262 K HA -0.247 4.073 4.320 0.000 0.000 0.219 1262 K C -0.425 175.730 176.600 -0.741 0.000 1.056 1262 K CA 2.547 58.456 56.287 -0.630 0.000 0.946 1262 K CB -1.444 30.739 32.500 -0.530 0.000 0.723 1262 K HN 0.214 nan 8.250 nan 0.000 0.453 1263 P HA -0.201 nan 4.420 nan 0.000 0.216 1263 P C 0.854 178.059 177.300 -0.158 0.000 1.154 1263 P CA 1.587 64.611 63.100 -0.127 0.000 0.865 1263 P CB -0.081 31.499 31.700 -0.201 0.000 0.789 1264 Y N -1.529 118.720 120.300 -0.085 0.000 2.220 1264 Y HA -0.066 4.484 4.550 -0.000 0.000 0.291 1264 Y C 2.293 178.156 175.900 -0.062 0.000 1.129 1264 Y CA 0.559 58.634 58.100 -0.042 0.000 1.161 1264 Y CB -1.240 37.196 38.460 -0.041 0.000 0.997 1264 Y HN -0.138 nan 8.280 nan 0.000 0.522 1265 L N -1.068 120.139 121.223 -0.025 0.000 2.141 1265 L HA -0.166 4.174 4.340 0.000 0.000 0.209 1265 L C 1.692 178.555 176.870 -0.012 0.000 1.094 1265 L CA 1.584 56.377 54.840 -0.079 0.000 0.763 1265 L CB -0.670 41.266 42.059 -0.205 0.000 0.908 1265 L HN 0.039 nan 8.230 nan 0.000 0.437 1266 F N -0.240 119.676 119.950 -0.057 0.000 2.128 1266 F HA -0.031 4.496 4.527 0.000 0.000 0.295 1266 F C 2.736 178.519 175.800 -0.028 0.000 1.100 1266 F CA 1.121 59.030 58.000 -0.152 0.000 1.260 1266 F CB -1.138 37.853 39.000 -0.015 0.000 1.009 1266 F HN 0.037 nan 8.300 nan 0.000 0.476 1267 R N 0.374 121.000 120.500 0.210 0.000 2.113 1267 R HA -0.227 4.113 4.340 0.000 0.000 0.244 1267 R C 2.390 178.785 176.300 0.158 0.000 1.142 1267 R CA 1.660 57.850 56.100 0.150 0.000 0.953 1267 R CB -0.634 29.726 30.300 0.099 0.000 0.860 1267 R HN 0.248 nan 8.270 nan 0.000 0.438 1268 A N 0.883 123.794 122.820 0.150 0.000 1.884 1268 A HA -0.235 4.085 4.320 0.000 0.000 0.219 1268 A C 2.163 179.877 177.584 0.217 0.000 1.197 1268 A CA 2.003 54.133 52.037 0.155 0.000 0.637 1268 A CB -0.729 18.339 19.000 0.113 0.000 0.827 1268 A HN 0.376 nan 8.150 nan 0.000 0.450 1269 I N -0.648 120.055 120.570 0.222 0.000 2.226 1269 I HA -0.214 3.956 4.170 0.000 0.000 0.245 1269 I C 2.516 178.874 176.117 0.402 0.000 1.100 1269 I CA 1.298 62.815 61.300 0.361 0.000 1.374 1269 I CB -0.408 37.709 38.000 0.195 0.000 1.057 1269 I HN 0.322 nan 8.210 nan 0.000 0.413 1270 E N 0.936 121.304 120.200 0.279 0.000 2.077 1270 E HA -0.219 4.131 4.350 0.000 0.000 0.193 1270 E C 2.064 178.830 176.600 0.278 0.000 0.989 1270 E CA 1.310 57.871 56.400 0.268 0.000 0.800 1270 E CB -0.171 29.649 29.700 0.201 0.000 0.746 1270 E HN 0.591 nan 8.360 nan 0.000 0.452 1271 E N 0.431 120.771 120.200 0.233 0.000 2.152 1271 E HA -0.060 4.290 4.350 0.000 0.000 0.192 1271 E C 2.207 178.974 176.600 0.279 0.000 0.983 1271 E CA 0.710 57.244 56.400 0.223 0.000 0.818 1271 E CB 0.066 29.858 29.700 0.155 0.000 0.758 1271 E HN 0.026 nan 8.360 nan 0.000 0.467 1272 S N 0.380 116.264 115.700 0.307 0.000 2.356 1272 S HA -0.157 4.313 4.470 0.000 0.000 0.223 1272 S C 1.738 176.445 174.600 0.179 0.000 1.032 1272 S CA 1.024 59.410 58.200 0.311 0.000 1.005 1272 S CB -0.332 63.182 63.200 0.523 0.000 0.867 1272 S HN 0.309 nan 8.310 nan 0.000 0.449 1273 Y N -0.010 120.370 120.300 0.134 0.000 2.242 1273 Y HA -0.144 4.406 4.550 0.000 0.000 0.291 1273 Y C 2.283 178.218 175.900 0.058 0.000 1.137 1273 Y CA 1.395 59.507 58.100 0.020 0.000 1.181 1273 Y CB -0.433 38.040 38.460 0.021 0.000 0.989 1273 Y HN 0.324 nan 8.280 nan 0.000 0.527 1274 Y N 0.982 121.378 120.300 0.160 0.000 2.165 1274 Y HA -0.277 4.273 4.550 0.000 0.000 0.286 1274 Y C 2.139 178.062 175.900 0.039 0.000 1.155 1274 Y CA 1.770 59.923 58.100 0.089 0.000 1.164 1274 Y CB -0.259 38.249 38.460 0.082 0.000 0.978 1274 Y HN -0.048 nan 8.280 nan 0.000 0.513 1275 K N -0.135 120.329 120.400 0.106 0.000 2.057 1275 K HA -0.157 4.163 4.320 0.000 0.000 0.207 1275 K C 1.999 178.530 176.600 -0.115 0.000 1.049 1275 K CA 1.705 57.999 56.287 0.011 0.000 0.931 1275 K CB -0.332 32.230 32.500 0.102 0.000 0.714 1275 K HN 0.327 nan 8.250 nan 0.000 0.440 1276 L N 1.154 122.289 121.223 -0.147 0.000 1.989 1276 L HA -0.184 4.156 4.340 0.000 0.000 0.211 1276 L C 0.601 177.332 176.870 -0.233 0.000 1.071 1276 L CA 0.810 55.502 54.840 -0.246 0.000 0.749 1276 L CB -0.878 40.972 42.059 -0.348 0.000 0.890 1276 L HN 0.316 nan 8.230 nan 0.000 0.431 1277 D N 0.583 120.861 120.400 -0.203 0.000 8.181 1277 D HA -0.262 4.378 4.640 0.000 0.000 0.116 1277 D C 0.673 176.879 176.300 -0.157 0.000 1.160 1277 D CA 0.803 54.698 54.000 -0.175 0.000 0.871 1277 D CB 0.158 40.808 40.800 -0.250 0.000 1.705 1277 D HN 0.271 nan 8.370 nan 0.000 0.974 1278 K N 0.992 121.318 120.400 -0.124 0.000 2.389 1278 K HA -0.138 4.182 4.320 0.000 0.000 0.422 1278 K C 0.221 176.745 176.600 -0.127 0.000 0.421 1278 K CA 0.556 56.777 56.287 -0.110 0.000 1.858 1278 K CB -1.013 31.420 32.500 -0.112 0.000 0.688 1278 K HN 0.562 nan 8.250 nan 0.000 0.392 1279 R N 1.447 121.824 120.500 -0.205 0.000 2.312 1279 R HA 0.422 4.762 4.340 0.000 0.000 0.311 1279 R C -0.087 176.103 176.300 -0.182 0.000 1.004 1279 R CA -0.541 55.398 56.100 -0.269 0.000 0.902 1279 R CB 0.758 30.703 30.300 -0.591 0.000 1.073 1279 R HN -0.022 nan 8.270 nan 0.000 0.457 1280 I N 6.027 126.581 120.570 -0.028 0.000 2.307 1280 I HA 0.272 4.442 4.170 0.000 0.000 0.289 1280 I C -2.052 174.205 176.117 0.234 0.000 1.021 1280 I CA -3.159 58.179 61.300 0.063 0.000 1.224 1280 I CB 0.953 38.995 38.000 0.070 0.000 1.376 1280 I HN 0.361 nan 8.210 nan 0.000 0.470 1281 P HA 0.317 nan 4.420 nan 0.000 0.282 1281 P C -0.031 177.385 177.300 0.193 0.000 1.249 1281 P CA -0.464 62.824 63.100 0.314 0.000 0.806 1281 P CB 1.842 33.708 31.700 0.277 0.000 0.984 1282 K N 0.579 121.053 120.400 0.124 0.000 2.348 1282 K HA 0.306 4.626 4.320 0.000 0.000 0.194 1282 K C 0.676 177.368 176.600 0.154 0.000 1.052 1282 K CA 0.200 56.564 56.287 0.128 0.000 1.004 1282 K CB 0.638 33.176 32.500 0.065 0.000 0.873 1282 K HN 0.522 nan 8.250 nan 0.000 0.523 1283 A N 1.624 124.495 122.820 0.084 0.000 2.365 1283 A HA 0.629 4.949 4.320 0.000 0.000 0.318 1283 A C -1.212 176.392 177.584 0.033 0.000 1.091 1283 A CA -0.661 51.372 52.037 -0.007 0.000 0.763 1283 A CB 1.012 19.940 19.000 -0.119 0.000 1.248 1283 A HN 0.240 nan 8.150 nan 0.000 0.442 1284 I N 2.126 122.639 120.570 -0.095 0.000 2.498 1284 I HA 0.507 4.677 4.170 0.000 0.000 0.290 1284 I C -1.347 174.508 176.117 -0.438 0.000 1.032 1284 I CA -0.490 60.699 61.300 -0.186 0.000 1.073 1284 I CB 1.380 39.418 38.000 0.063 0.000 1.251 1284 I HN 0.716 nan 8.210 nan 0.000 0.426 1285 H N 6.313 125.267 119.070 -0.194 0.000 2.489 1285 H HA 0.400 4.956 4.556 -0.000 0.000 0.343 1285 H C -0.812 174.422 175.328 -0.157 0.000 1.086 1285 H CA -0.542 55.423 56.048 -0.137 0.000 1.198 1285 H CB 2.451 32.147 29.762 -0.111 0.000 1.490 1285 H HN 0.299 nan 8.280 nan 0.000 0.504 1286 V N 3.801 123.724 119.914 0.015 0.000 2.607 1286 V HA 0.215 4.335 4.120 0.000 0.000 0.289 1286 V C 0.147 176.244 176.094 0.004 0.000 1.053 1286 V CA -0.445 61.850 62.300 -0.009 0.000 0.996 1286 V CB 1.726 33.547 31.823 -0.004 0.000 0.995 1286 V HN 0.453 nan 8.190 nan 0.000 0.476 1287 V N 3.685 123.591 119.914 -0.013 0.000 2.668 1287 V HA 0.783 4.903 4.120 0.000 0.000 0.304 1287 V C -0.120 175.961 176.094 -0.021 0.000 1.071 1287 V CA -0.449 61.840 62.300 -0.018 0.000 0.894 1287 V CB 1.851 33.660 31.823 -0.024 0.000 1.008 1287 V HN 1.009 nan 8.190 nan 0.000 0.425 1288 A N 4.534 127.340 122.820 -0.024 0.000 2.355 1288 A HA 0.919 5.239 4.320 0.000 0.000 0.317 1288 A C -0.958 176.609 177.584 -0.029 0.000 1.094 1288 A CA -0.599 51.421 52.037 -0.028 0.000 0.764 1288 A CB 1.828 20.811 19.000 -0.028 0.000 1.230 1288 A HN 0.713 nan 8.150 nan 0.000 0.448 1289 V N 2.608 122.503 119.914 -0.032 0.000 2.370 1289 V HA 0.485 4.605 4.120 0.000 0.000 0.283 1289 V C 0.865 176.939 176.094 -0.035 0.000 1.023 1289 V CA -0.168 62.114 62.300 -0.030 0.000 0.857 1289 V CB 1.191 32.998 31.823 -0.027 0.000 0.985 1289 V HN 1.102 nan 8.190 nan 0.000 0.443 1290 T N 0.758 115.294 114.554 -0.030 0.000 2.754 1290 T HA 0.231 4.581 4.350 0.000 0.000 0.286 1290 T C 1.136 175.818 174.700 -0.031 0.000 0.997 1290 T CA -0.278 61.804 62.100 -0.030 0.000 0.982 1290 T CB 0.807 69.660 68.868 -0.025 0.000 1.027 1290 T HN 0.687 nan 8.240 nan 0.000 0.529 1291 E N 1.246 121.428 120.200 -0.030 0.000 2.196 1291 E HA -0.332 4.018 4.350 0.000 0.000 0.222 1291 E C 1.312 177.897 176.600 -0.025 0.000 1.072 1291 E CA 2.655 59.038 56.400 -0.028 0.000 0.902 1291 E CB -0.309 29.377 29.700 -0.024 0.000 0.780 1291 E HN 0.918 nan 8.360 nan 0.000 0.467 1292 D N -0.372 120.015 120.400 -0.022 0.000 2.230 1292 D HA 0.111 4.751 4.640 0.000 0.000 0.274 1292 D C 0.597 176.886 176.300 -0.019 0.000 1.222 1292 D CA 0.237 54.225 54.000 -0.019 0.000 0.943 1292 D CB -0.025 40.765 40.800 -0.017 0.000 0.920 1292 D HN 0.182 nan 8.370 nan 0.000 0.300 1293 L N -3.172 118.041 121.223 -0.018 0.000 2.408 1293 L HA 0.557 4.897 4.340 0.000 0.000 0.260 1293 L C -1.737 175.123 176.870 -0.018 0.000 1.305 1293 L CA -0.902 53.927 54.840 -0.017 0.000 0.850 1293 L CB 1.101 43.152 42.059 -0.014 0.000 1.004 1293 L HN 0.026 nan 8.230 nan 0.000 0.506 1294 D N 1.257 121.645 120.400 -0.020 0.000 2.423 1294 D HA 0.742 5.383 4.640 0.000 0.000 0.235 1294 D C -1.128 175.158 176.300 -0.023 0.000 1.011 1294 D CA -0.365 53.623 54.000 -0.021 0.000 0.963 1294 D CB 3.151 43.939 40.800 -0.020 0.000 1.349 1294 D HN 0.261 nan 8.370 nan 0.000 0.508 1295 I N 1.041 121.595 120.570 -0.026 0.000 2.433 1295 I HA 0.245 4.415 4.170 0.000 0.000 0.292 1295 I C -0.122 175.976 176.117 -0.032 0.000 1.001 1295 I CA -0.677 60.605 61.300 -0.030 0.000 1.119 1295 I CB 1.997 39.977 38.000 -0.033 0.000 1.289 1295 I HN 0.096 nan 8.210 nan 0.000 0.438 1296 V N 4.626 124.522 119.914 -0.031 0.000 2.468 1296 V HA 0.226 4.346 4.120 0.000 0.000 0.256 1296 V C 0.057 176.135 176.094 -0.027 0.000 0.998 1296 V CA -0.677 61.607 62.300 -0.028 0.000 1.114 1296 V CB 0.265 32.075 31.823 -0.021 0.000 1.378 1296 V HN 0.781 nan 8.190 nan 0.000 0.573 1297 S N 2.930 118.605 115.700 -0.042 0.000 2.422 1297 S HA 0.620 5.090 4.470 0.000 0.000 0.283 1297 S C -0.080 174.515 174.600 -0.007 0.000 1.163 1297 S CA -0.711 57.461 58.200 -0.046 0.000 1.054 1297 S CB 0.793 63.920 63.200 -0.122 0.000 0.967 1297 S HN 0.521 nan 8.310 nan 0.000 0.499 1298 R N 2.197 122.728 120.500 0.052 0.000 2.670 1298 R HA 0.891 5.231 4.340 0.000 0.000 0.289 1298 R C 0.111 176.495 176.300 0.139 0.000 0.965 1298 R CA -0.685 55.465 56.100 0.083 0.000 0.899 1298 R CB 1.547 31.865 30.300 0.031 0.000 1.173 1298 R HN 0.875 nan 8.270 nan 0.000 0.456 1299 G N 0.795 109.668 108.800 0.121 0.000 2.632 1299 G HA2 0.454 4.414 3.960 0.000 0.000 0.292 1299 G HA3 0.454 4.414 3.960 0.000 0.000 0.292 1299 G C -1.646 173.135 174.900 -0.198 0.000 1.465 1299 G CA -0.863 44.183 45.100 -0.089 0.000 0.824 1299 G HN 0.430 nan 8.290 nan 0.000 0.509 1300 R N -0.342 119.981 120.500 -0.295 0.000 2.532 1300 R HA 0.721 5.061 4.340 0.000 0.000 0.295 1300 R C -0.684 175.316 176.300 -0.500 0.000 0.968 1300 R CA -0.370 55.476 56.100 -0.424 0.000 0.916 1300 R CB 1.538 31.474 30.300 -0.607 0.000 1.124 1300 R HN 0.442 nan 8.270 nan 0.000 0.463 1301 T N 4.340 118.627 114.554 -0.445 0.000 2.771 1301 T HA 0.409 4.759 4.350 0.000 0.000 0.281 1301 T C -0.749 173.699 174.700 -0.421 0.000 0.982 1301 T CA -0.217 61.687 62.100 -0.328 0.000 0.978 1301 T CB 0.367 69.128 68.868 -0.179 0.000 0.930 1301 T HN 0.306 nan 8.240 nan 0.000 0.447 1302 F N 3.382 123.236 119.950 -0.160 0.000 2.450 1302 F HA 0.440 4.967 4.527 -0.000 0.000 0.328 1302 F C -1.274 174.357 175.800 -0.282 0.000 1.068 1302 F CA -2.374 55.445 58.000 -0.303 0.000 1.007 1302 F CB 1.160 39.821 39.000 -0.564 0.000 1.251 1302 F HN 0.349 nan 8.300 nan 0.000 0.492 1303 P HA 0.080 nan 4.420 nan 0.000 0.258 1303 P C -0.955 176.365 177.300 0.033 0.000 1.416 1303 P CA 0.539 63.627 63.100 -0.020 0.000 0.927 1303 P CB -0.159 31.564 31.700 0.038 0.000 1.444 1304 H N -3.406 115.752 119.070 0.147 0.000 2.942 1304 H HA 0.588 5.144 4.556 0.000 0.000 0.316 1304 H C -0.419 174.956 175.328 0.079 0.000 1.323 1304 H CA -1.155 54.942 56.048 0.082 0.000 1.144 1304 H CB 0.704 30.488 29.762 0.036 0.000 1.866 1304 H HN -0.124 nan 8.280 nan 0.000 0.545 1305 G N 0.536 109.496 108.800 0.267 0.000 2.483 1305 G HA2 0.411 4.371 3.960 0.000 0.000 0.248 1305 G HA3 0.411 4.371 3.960 0.000 0.000 0.248 1305 G C -0.138 174.884 174.900 0.203 0.000 1.248 1305 G CA -0.702 44.511 45.100 0.188 0.000 0.838 1305 G HN 0.484 nan 8.290 nan 0.000 0.566 1306 I N 2.150 122.815 120.570 0.159 0.000 2.301 1306 I HA 0.144 4.314 4.170 0.000 0.000 0.292 1306 I C 0.974 177.184 176.117 0.156 0.000 1.046 1306 I CA -0.364 61.011 61.300 0.125 0.000 1.282 1306 I CB 0.940 39.078 38.000 0.231 0.000 1.409 1306 I HN 0.501 nan 8.210 nan 0.000 0.484 1307 S N 4.502 120.244 115.700 0.070 0.000 2.603 1307 S HA 0.191 4.661 4.470 0.000 0.000 0.268 1307 S C 1.049 175.650 174.600 0.002 0.000 1.317 1307 S CA -0.760 57.465 58.200 0.041 0.000 1.012 1307 S CB 1.651 64.828 63.200 -0.039 0.000 0.926 1307 S HN 0.679 nan 8.310 nan 0.000 0.539 1308 K N 0.874 121.140 120.400 -0.223 0.000 2.127 1308 K HA -0.200 4.120 4.320 0.000 0.000 0.208 1308 K C 1.720 178.270 176.600 -0.083 0.000 1.047 1308 K CA 2.024 58.027 56.287 -0.473 0.000 0.927 1308 K CB -0.343 31.825 32.500 -0.554 0.000 0.716 1308 K HN 0.706 nan 8.250 nan 0.000 0.450 1309 E N -0.695 119.449 120.200 -0.092 0.000 2.028 1309 E HA -0.124 4.226 4.350 0.000 0.000 0.191 1309 E C 1.997 178.633 176.600 0.060 0.000 0.988 1309 E CA 2.014 58.379 56.400 -0.058 0.000 0.799 1309 E CB -0.553 29.086 29.700 -0.102 0.000 0.755 1309 E HN 0.588 nan 8.360 nan 0.000 0.447 1310 T N -0.974 113.600 114.554 0.034 0.000 2.915 1310 T HA 0.001 4.351 4.350 0.000 0.000 0.269 1310 T C 1.982 176.789 174.700 0.179 0.000 1.071 1310 T CA 0.939 63.075 62.100 0.060 0.000 1.132 1310 T CB -0.326 68.492 68.868 -0.082 0.000 0.878 1310 T HN 0.168 nan 8.240 nan 0.000 0.479 1311 A N 1.266 124.230 122.820 0.239 0.000 1.859 1311 A HA -0.087 4.233 4.320 0.000 0.000 0.217 1311 A C 2.124 179.904 177.584 0.327 0.000 1.198 1311 A CA 1.604 53.874 52.037 0.388 0.000 0.629 1311 A CB -1.454 17.834 19.000 0.480 0.000 0.830 1311 A HN 0.560 nan 8.150 nan 0.000 0.446 1312 Y N 0.700 121.084 120.300 0.139 0.000 2.193 1312 Y HA -0.225 4.325 4.550 -0.000 0.000 0.285 1312 Y C 3.097 179.107 175.900 0.184 0.000 1.166 1312 Y CA 1.755 59.941 58.100 0.144 0.000 1.181 1312 Y CB -0.107 38.317 38.460 -0.061 0.000 0.976 1312 Y HN 0.313 nan 8.280 nan 0.000 0.520 1313 S N -0.787 115.083 115.700 0.282 0.000 2.371 1313 S HA -0.161 4.309 4.470 0.000 0.000 0.224 1313 S C 1.823 176.546 174.600 0.206 0.000 1.029 1313 S CA 1.296 59.623 58.200 0.211 0.000 0.978 1313 S CB -0.161 63.129 63.200 0.150 0.000 0.833 1313 S HN 0.352 nan 8.310 nan 0.000 0.466 1314 E N 1.906 122.244 120.200 0.230 0.000 2.076 1314 E HA -0.070 4.280 4.350 0.000 0.000 0.190 1314 E C 2.210 178.915 176.600 0.175 0.000 0.979 1314 E CA 1.300 57.840 56.400 0.232 0.000 0.807 1314 E CB -0.361 29.548 29.700 0.347 0.000 0.761 1314 E HN 0.488 nan 8.360 nan 0.000 0.454 1315 S N -0.417 115.391 115.700 0.180 0.000 2.365 1315 S HA -0.215 4.255 4.470 0.000 0.000 0.225 1315 S C 2.129 176.789 174.600 0.100 0.000 1.039 1315 S CA 1.592 59.864 58.200 0.120 0.000 1.033 1315 S CB -0.997 62.276 63.200 0.121 0.000 0.887 1315 S HN 0.119 nan 8.310 nan 0.000 0.447 1316 V N 2.443 122.444 119.914 0.144 0.000 2.255 1316 V HA -0.195 3.925 4.120 0.000 0.000 0.247 1316 V C 2.705 178.851 176.094 0.086 0.000 1.051 1316 V CA 2.297 64.667 62.300 0.118 0.000 1.018 1316 V CB -0.848 31.079 31.823 0.175 0.000 0.641 1316 V HN 0.481 nan 8.190 nan 0.000 0.445 1317 K N -0.391 120.069 120.400 0.101 0.000 2.211 1317 K HA -0.123 4.197 4.320 0.000 0.000 0.204 1317 K C 2.005 178.639 176.600 0.056 0.000 1.047 1317 K CA 1.244 57.579 56.287 0.079 0.000 0.935 1317 K CB -0.249 32.307 32.500 0.094 0.000 0.728 1317 K HN 0.366 nan 8.250 nan 0.000 0.452 1318 L N -0.122 121.134 121.223 0.055 0.000 2.127 1318 L HA -0.101 4.239 4.340 0.000 0.000 0.203 1318 L C 2.126 179.009 176.870 0.021 0.000 1.080 1318 L CA 0.330 55.189 54.840 0.033 0.000 0.768 1318 L CB -0.201 41.876 42.059 0.029 0.000 0.924 1318 L HN 0.135 nan 8.230 nan 0.000 0.444 1319 L N -0.475 120.760 121.223 0.019 0.000 2.141 1319 L HA -0.190 4.150 4.340 0.000 0.000 0.209 1319 L C 2.462 179.336 176.870 0.007 0.000 1.094 1319 L CA 1.656 56.498 54.840 0.004 0.000 0.763 1319 L CB -0.506 41.545 42.059 -0.012 0.000 0.908 1319 L HN 0.252 nan 8.230 nan 0.000 0.437 1320 Q N -0.521 119.291 119.800 0.019 0.000 2.061 1320 Q HA -0.290 4.050 4.340 0.000 0.000 0.204 1320 Q C 2.275 178.284 176.000 0.015 0.000 0.984 1320 Q CA 2.109 57.924 55.803 0.021 0.000 0.846 1320 Q CB -0.190 28.567 28.738 0.033 0.000 0.902 1320 Q HN 0.486 nan 8.270 nan 0.000 0.421 1321 K N 0.667 121.077 120.400 0.017 0.000 2.097 1321 K HA -0.131 4.189 4.320 0.000 0.000 0.206 1321 K C 1.923 178.527 176.600 0.006 0.000 1.049 1321 K CA 1.051 57.345 56.287 0.012 0.000 0.933 1321 K CB -0.003 32.504 32.500 0.012 0.000 0.717 1321 K HN 0.188 nan 8.250 nan 0.000 0.442 1322 I N 0.511 121.083 120.570 0.003 0.000 2.394 1322 I HA -0.212 3.958 4.170 0.000 0.000 0.251 1322 I C 1.520 177.634 176.117 -0.004 0.000 1.136 1322 I CA 0.659 61.957 61.300 -0.002 0.000 1.425 1322 I CB -0.172 37.825 38.000 -0.006 0.000 1.079 1322 I HN 0.114 nan 8.210 nan 0.000 0.425 1323 L N 0.252 121.473 121.223 -0.003 0.000 2.509 1323 L HA 0.030 4.370 4.340 0.000 0.000 0.222 1323 L C 1.828 178.698 176.870 -0.001 0.000 1.123 1323 L CA 1.301 56.138 54.840 -0.004 0.000 0.856 1323 L CB -0.575 41.481 42.059 -0.005 0.000 0.985 1323 L HN 0.176 nan 8.230 nan 0.000 0.456 1324 E N -0.521 119.680 120.200 0.002 0.000 2.476 1324 E HA 0.080 4.431 4.350 0.000 0.000 0.196 1324 E C 0.325 176.926 176.600 0.002 0.000 1.029 1324 E CA 0.074 56.476 56.400 0.004 0.000 0.896 1324 E CB 0.362 30.066 29.700 0.008 0.000 1.012 1324 E HN 0.447 nan 8.360 nan 0.000 0.475 1325 E N 0.780 120.980 120.200 -0.001 0.000 2.921 1325 E HA 0.099 4.449 4.350 0.000 0.000 0.203 1325 E C -0.806 175.791 176.600 -0.005 0.000 0.975 1325 E CA -0.004 56.395 56.400 -0.002 0.000 1.225 1325 E CB 0.920 30.619 29.700 -0.002 0.000 1.048 1325 E HN -0.040 nan 8.360 nan 0.000 0.477 1326 D N 0.921 121.317 120.400 -0.006 0.000 2.746 1326 D HA 0.016 4.656 4.640 0.000 0.000 0.211 1326 D C -0.744 175.551 176.300 -0.009 0.000 1.242 1326 D CA -0.117 53.878 54.000 -0.008 0.000 0.790 1326 D CB 1.392 42.186 40.800 -0.011 0.000 1.744 1326 D HN -0.014 nan 8.370 nan 0.000 0.520 1327 E N 1.401 121.596 120.200 -0.009 0.000 2.501 1327 E HA 0.265 4.615 4.350 0.000 0.000 0.200 1327 E C 0.455 177.048 176.600 -0.012 0.000 1.016 1327 E CA -0.234 56.161 56.400 -0.009 0.000 0.921 1327 E CB 0.242 29.937 29.700 -0.007 0.000 1.034 1327 E HN 0.141 nan 8.360 nan 0.000 0.468 1328 R N 1.233 121.725 120.500 -0.014 0.000 2.707 1328 R HA 0.302 4.642 4.340 0.000 0.000 0.270 1328 R C 0.076 176.365 176.300 -0.019 0.000 1.083 1328 R CA -0.213 55.877 56.100 -0.016 0.000 1.182 1328 R CB 0.642 30.931 30.300 -0.018 0.000 1.084 1328 R HN 0.038 nan 8.270 nan 0.000 0.528 1329 K N 1.270 121.656 120.400 -0.022 0.000 2.098 1329 K HA 0.378 4.698 4.320 0.000 0.000 0.257 1329 K C -0.059 176.520 176.600 -0.034 0.000 0.999 1329 K CA -0.362 55.909 56.287 -0.027 0.000 0.924 1329 K CB 0.906 33.390 32.500 -0.028 0.000 1.028 1329 K HN 0.350 nan 8.250 nan 0.000 0.466 1330 I N 1.047 121.591 120.570 -0.043 0.000 2.648 1330 I HA 0.334 4.504 4.170 0.000 0.000 0.304 1330 I C 1.150 177.224 176.117 -0.073 0.000 1.009 1330 I CA -0.630 60.638 61.300 -0.053 0.000 1.114 1330 I CB 1.940 39.908 38.000 -0.053 0.000 1.293 1330 I HN 0.690 nan 8.210 nan 0.000 0.449 1331 R N 2.670 123.125 120.500 -0.075 0.000 2.243 1331 R HA 0.326 4.666 4.340 0.000 0.000 0.193 1331 R C -0.005 176.225 176.300 -0.117 0.000 0.933 1331 R CA 0.058 56.103 56.100 -0.093 0.000 1.105 1331 R CB 0.728 30.990 30.300 -0.063 0.000 1.169 1331 R HN 0.566 nan 8.270 nan 0.000 0.599 1332 R N 0.917 121.367 120.500 -0.083 0.000 2.451 1332 R HA 0.347 4.687 4.340 0.000 0.000 0.307 1332 R C -1.399 174.869 176.300 -0.053 0.000 0.965 1332 R CA -0.664 55.393 56.100 -0.072 0.000 0.865 1332 R CB 2.148 32.426 30.300 -0.038 0.000 1.174 1332 R HN 0.042 nan 8.270 nan 0.000 0.455 1333 I N 1.162 121.700 120.570 -0.053 0.000 2.525 1333 I HA 0.787 4.957 4.170 0.000 0.000 0.301 1333 I C -0.072 176.046 176.117 0.003 0.000 0.992 1333 I CA 0.019 61.302 61.300 -0.028 0.000 1.162 1333 I CB 2.028 40.006 38.000 -0.036 0.000 1.332 1333 I HN 0.762 nan 8.210 nan 0.000 0.458 1334 G N 5.166 113.967 108.800 0.001 0.000 2.356 1334 G HA2 0.560 4.520 3.960 0.000 0.000 0.294 1334 G HA3 0.560 4.520 3.960 0.000 0.000 0.294 1334 G C -1.832 173.061 174.900 -0.012 0.000 1.423 1334 G CA -0.068 45.042 45.100 0.016 0.000 0.806 1334 G HN 1.220 nan 8.290 nan 0.000 0.527 1335 V N -2.587 117.314 119.914 -0.022 0.000 3.007 1335 V HA 0.951 5.071 4.120 0.000 0.000 0.311 1335 V C -0.622 175.370 176.094 -0.170 0.000 1.120 1335 V CA -1.306 60.915 62.300 -0.132 0.000 0.980 1335 V CB 2.151 33.841 31.823 -0.222 0.000 1.033 1335 V HN 0.970 nan 8.190 nan 0.000 0.429 1336 R N 1.883 122.222 120.500 -0.268 0.000 2.502 1336 R HA 0.661 5.001 4.340 0.000 0.000 0.300 1336 R C -2.044 174.095 176.300 -0.269 0.000 0.984 1336 R CA -0.477 55.538 56.100 -0.142 0.000 0.882 1336 R CB 1.832 32.132 30.300 0.001 0.000 1.180 1336 R HN 0.755 nan 8.270 nan 0.000 0.444 1337 F N 1.494 121.511 119.950 0.111 0.000 2.427 1337 F HA 0.409 4.936 4.527 0.000 0.000 0.346 1337 F C 0.152 175.943 175.800 -0.015 0.000 1.120 1337 F CA -0.243 57.805 58.000 0.079 0.000 1.033 1337 F CB 2.126 41.189 39.000 0.105 0.000 1.126 1337 F HN 0.294 nan 8.300 nan 0.000 0.462 1338 S N 2.337 118.044 115.700 0.012 0.000 2.566 1338 S HA 0.636 5.106 4.470 0.000 0.000 0.298 1338 S C -0.937 173.375 174.600 -0.481 0.000 1.083 1338 S CA -1.201 56.851 58.200 -0.246 0.000 0.978 1338 S CB 1.780 64.951 63.200 -0.050 0.000 1.073 1338 S HN 0.534 nan 8.310 nan 0.000 0.491 1339 K N 0.897 120.870 120.400 -0.712 0.000 6.536 1339 K HA -0.144 4.177 4.320 0.000 0.000 0.703 1339 K C -1.451 174.903 176.600 -0.411 0.000 1.892 1339 K CA 0.436 56.440 56.287 -0.472 0.000 1.651 1339 K CB -1.576 30.812 32.500 -0.186 0.000 1.852 1339 K HN 0.467 nan 8.250 nan 0.000 0.324 1340 F N 3.443 123.421 119.950 0.046 0.000 2.616 1340 F HA 0.680 5.207 4.527 0.000 0.000 0.278 1340 F C 1.413 177.232 175.800 0.031 0.000 1.125 1340 F CA -0.611 57.409 58.000 0.033 0.000 1.056 1340 F CB 0.361 39.373 39.000 0.020 0.000 1.992 1340 F HN 0.323 nan 8.300 nan 0.000 0.571 1341 I N 0.000 120.726 120.570 0.260 0.000 2.984 1341 I HA 0.000 4.170 4.170 0.000 0.000 0.288 1341 I CA 0.000 61.383 61.300 0.138 0.000 1.566 1341 I CB 0.000 38.066 38.000 0.111 0.000 1.214 1341 I HN 0.000 nan 8.210 nan 0.000 0.494