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 1cjy_1_B DATA FIRST_RESID 1015 DATA SEQUENCE QYSHKFTVVV LRATKVTKGA FGDMLDTPDP YVELFISTTP DSRKRTRHFN DATA SEQUENCE NDINPVWNET FEFILDPNQE NVLEITLMDA NYVMDETLGT ATFTVSSMKV DATA SEQUENCE GEKKEVPFIF NQVTEMVLEM SLEVCSCPDL RFSMALCDQE KTFRQQRKEH DATA SEQUENCE IRESMKKLLG PKNSEGLHSA RDVPVVAILG SGGGFRAMVG FSGVMKALYE DATA SEQUENCE SGILDCATYV AGLSGSTWYM STLYSHPDFP EKGPEEINEE LMKNVSHNPL DATA SEQUENCE LLLTPQKVKR YVESLWKKKS SGQPVTFTDI FGMLIGETLI HNRMNTTLSS DATA SEQUENCE LKEKVNTAQC PLPLFTCLHV KPDVSELMFA DWVEFSPYEI GMAKYGTFMA DATA SEQUENCE PDLFGSKFFM GTVVKKYEEN PLHFLMGVWG SAFSILFNRV LGXXXXXXXX DATA SEQUENCE STMEEELENI TTKHIVXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXSW DATA SEQUENCE IHRMIMALVS DSALFNTREG RAGKVHNFML GLNXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXDVKSKK IHVVDSGLTF NLPYPLILRP DATA SEQUENCE QRGVDLIISF DFSARPSDSS PPFKELLLAE KWAKMNKLPF PKIDPYVFDR DATA SEQUENCE EGLKECYVFK PXXXXXXXDC PTIIHFVLAN INFRKYXAPG VPRETEEEKE DATA SEQUENCE IADFDIFDDP ESPFSTFNFQ YPNQAFKRLH DLMHFNTLNN IDVIKEAMVE DATA SEQUENCE SIE 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 1015 Q HA 0.000 nan 4.340 nan 0.000 0.214 1015 Q C 0.000 175.966 176.000 -0.057 0.000 1.003 1015 Q CA 0.000 55.754 55.803 -0.082 0.000 1.022 1015 Q CB 0.000 28.667 28.738 -0.118 0.000 1.108 1016 Y N 0.532 120.803 120.300 -0.047 0.000 2.301 1016 Y HA 0.880 5.430 4.550 0.000 0.000 0.328 1016 Y C 0.990 176.847 175.900 -0.071 0.000 1.242 1016 Y CA -0.373 57.712 58.100 -0.025 0.000 1.323 1016 Y CB 1.112 39.574 38.460 0.003 0.000 1.266 1016 Y HN 1.790 nan 8.280 nan 0.000 0.527 1017 S N -0.343 115.338 115.700 -0.031 0.000 2.704 1017 S HA 0.630 5.100 4.470 0.000 0.000 0.296 1017 S C -1.278 173.376 174.600 0.090 0.000 1.138 1017 S CA -0.781 57.384 58.200 -0.057 0.000 0.875 1017 S CB 1.285 64.457 63.200 -0.047 0.000 1.151 1017 S HN 0.894 nan 8.310 nan 0.000 0.500 1018 H N -0.078 119.040 119.070 0.079 0.000 2.472 1018 H HA 0.502 5.058 4.556 0.000 0.000 0.338 1018 H C -0.570 174.859 175.328 0.169 0.000 1.133 1018 H CA -0.818 55.297 56.048 0.112 0.000 1.216 1018 H CB 1.533 31.354 29.762 0.100 0.000 1.497 1018 H HN 0.526 nan 8.280 nan 0.000 0.500 1019 K N 3.860 124.436 120.400 0.293 0.000 2.347 1019 K HA 0.141 4.461 4.320 0.000 0.000 0.262 1019 K C -1.480 175.308 176.600 0.314 0.000 1.052 1019 K CA -0.593 55.849 56.287 0.257 0.000 0.946 1019 K CB 0.399 32.998 32.500 0.164 0.000 1.220 1019 K HN 0.292 nan 8.250 nan 0.000 0.450 1020 F N 3.554 123.629 119.950 0.208 0.000 2.391 1020 F HA 0.308 4.835 4.527 0.000 0.000 0.359 1020 F C -0.627 175.339 175.800 0.276 0.000 1.122 1020 F CA -0.235 57.890 58.000 0.208 0.000 1.120 1020 F CB 1.129 40.245 39.000 0.194 0.000 1.142 1020 F HN 0.276 nan 8.300 nan 0.000 0.483 1021 T N 6.348 120.804 114.554 -0.163 0.000 2.771 1021 T HA 0.550 4.900 4.350 0.000 0.000 0.281 1021 T C -0.791 173.675 174.700 -0.391 0.000 0.982 1021 T CA -0.504 61.481 62.100 -0.191 0.000 0.978 1021 T CB 1.222 70.056 68.868 -0.056 0.000 0.930 1021 T HN 0.303 nan 8.240 nan 0.000 0.447 1022 V N 4.249 124.022 119.914 -0.236 0.000 2.409 1022 V HA 0.426 4.546 4.120 0.000 0.000 0.291 1022 V C -0.219 175.909 176.094 0.057 0.000 1.020 1022 V CA -0.818 61.379 62.300 -0.172 0.000 0.848 1022 V CB 1.807 33.541 31.823 -0.148 0.000 0.990 1022 V HN 0.673 nan 8.190 nan 0.000 0.430 1023 V N 5.806 125.733 119.914 0.022 0.000 2.311 1023 V HA 0.281 4.401 4.120 0.000 0.000 0.275 1023 V C 0.096 176.260 176.094 0.117 0.000 1.022 1023 V CA -0.564 61.781 62.300 0.075 0.000 0.830 1023 V CB 1.773 33.617 31.823 0.035 0.000 1.012 1023 V HN 0.649 nan 8.190 nan 0.000 0.452 1024 V N 7.463 127.495 119.914 0.196 0.000 2.381 1024 V HA 0.149 4.269 4.120 0.000 0.000 0.257 1024 V C 1.099 177.363 176.094 0.283 0.000 1.057 1024 V CA 0.258 62.663 62.300 0.176 0.000 1.013 1024 V CB 0.381 32.254 31.823 0.084 0.000 1.069 1024 V HN 0.720 nan 8.190 nan 0.000 0.484 1025 L N 4.880 126.262 121.223 0.265 0.000 1.995 1025 L HA 0.195 4.535 4.340 0.000 0.000 0.206 1025 L C 1.277 178.369 176.870 0.369 0.000 1.098 1025 L CA 1.198 56.197 54.840 0.265 0.000 0.762 1025 L CB -0.121 42.041 42.059 0.172 0.000 0.900 1025 L HN 0.732 nan 8.230 nan 0.000 0.441 1026 R N -0.868 119.840 120.500 0.347 0.000 2.844 1026 R HA 0.818 5.158 4.340 0.000 0.000 0.264 1026 R C -1.747 174.740 176.300 0.312 0.000 1.077 1026 R CA -0.679 55.563 56.100 0.238 0.000 0.953 1026 R CB 1.823 32.146 30.300 0.038 0.000 1.272 1026 R HN 0.036 nan 8.270 nan 0.000 0.447 1027 A N 0.225 123.109 122.820 0.106 0.000 2.589 1027 A HA 0.637 4.957 4.320 0.000 0.000 0.296 1027 A C -1.101 176.502 177.584 0.031 0.000 1.062 1027 A CA -0.427 51.711 52.037 0.169 0.000 0.686 1027 A CB 1.926 21.122 19.000 0.327 0.000 1.282 1027 A HN 0.909 nan 8.150 nan 0.000 0.404 1028 T N -1.913 112.682 114.554 0.070 0.000 2.916 1028 T HA 0.772 5.122 4.350 0.000 0.000 0.292 1028 T C 0.327 175.058 174.700 0.050 0.000 1.055 1028 T CA 0.439 62.556 62.100 0.028 0.000 1.009 1028 T CB 1.412 70.295 68.868 0.025 0.000 1.118 1028 T HN 2.475 nan 8.240 nan 0.000 0.497 1029 K N -0.362 120.054 120.400 0.026 0.000 3.077 1029 K HA -0.045 4.275 4.320 0.000 0.000 0.264 1029 K C 0.168 176.798 176.600 0.049 0.000 1.008 1029 K CA 0.900 57.209 56.287 0.035 0.000 0.740 1029 K CB -2.919 29.609 32.500 0.047 0.000 1.273 1029 K HN 1.076 nan 8.250 nan 0.000 0.477 1030 V N 1.081 121.017 119.914 0.038 0.000 2.529 1030 V HA 0.582 4.702 4.120 0.000 0.000 0.292 1030 V C 0.944 177.057 176.094 0.032 0.000 1.028 1030 V CA 0.721 63.045 62.300 0.040 0.000 1.074 1030 V CB 1.248 33.092 31.823 0.035 0.000 0.958 1030 V HN 0.888 nan 8.190 nan 0.000 0.481 1031 T N 4.141 118.717 114.554 0.037 0.000 2.821 1031 T HA 0.437 4.787 4.350 0.000 0.000 0.306 1031 T C 0.111 174.833 174.700 0.037 0.000 1.313 1031 T CA -0.717 61.404 62.100 0.035 0.000 1.012 1031 T CB 1.838 70.732 68.868 0.042 0.000 1.298 1031 T HN 0.648 nan 8.240 nan 0.000 0.502 1032 K N 0.928 121.349 120.400 0.035 0.000 2.374 1032 K HA 0.487 4.807 4.320 0.000 0.000 0.202 1032 K C 0.530 177.168 176.600 0.063 0.000 1.040 1032 K CA 0.096 56.408 56.287 0.041 0.000 1.085 1032 K CB 1.010 33.527 32.500 0.028 0.000 0.873 1032 K HN 1.054 nan 8.250 nan 0.000 0.539 1033 G N 0.735 109.573 108.800 0.064 0.000 2.617 1033 G HA2 -0.063 3.897 3.960 0.000 0.000 0.686 1033 G HA3 -0.063 3.897 3.960 0.000 0.000 0.686 1033 G C 0.491 175.445 174.900 0.089 0.000 1.214 1033 G CA -0.584 44.564 45.100 0.081 0.000 0.796 1033 G HN 0.023 nan 8.290 nan 0.000 0.654 1034 A N 0.796 123.672 122.820 0.094 0.000 1.881 1034 A HA -0.007 4.313 4.320 0.000 0.000 0.219 1034 A C 2.248 179.908 177.584 0.127 0.000 1.215 1034 A CA 3.020 55.115 52.037 0.096 0.000 0.648 1034 A CB -0.666 18.394 19.000 0.100 0.000 0.832 1034 A HN 1.762 nan 8.150 nan 0.000 0.455 1035 F N 0.783 120.742 119.950 0.015 0.000 2.051 1035 F HA -0.034 4.493 4.527 0.000 0.000 0.296 1035 F C 2.476 178.285 175.800 0.016 0.000 1.122 1035 F CA 1.821 59.829 58.000 0.014 0.000 1.201 1035 F CB -0.949 38.059 39.000 0.014 0.000 0.978 1035 F HN 0.209 nan 8.300 nan 0.000 0.472 1036 G N -0.492 108.335 108.800 0.045 0.000 2.442 1036 G HA2 -0.305 3.655 3.960 0.000 0.000 0.219 1036 G HA3 -0.305 3.655 3.960 0.000 0.000 0.219 1036 G C 1.313 176.155 174.900 -0.096 0.000 1.141 1036 G CA 1.186 46.249 45.100 -0.062 0.000 0.763 1036 G HN 0.351 nan 8.290 nan 0.000 0.554 1037 D N 0.277 120.652 120.400 -0.042 0.000 2.144 1037 D HA -0.063 4.577 4.640 0.000 0.000 0.199 1037 D C 2.615 178.874 176.300 -0.069 0.000 0.984 1037 D CA 0.807 54.785 54.000 -0.035 0.000 0.834 1037 D CB -0.224 40.575 40.800 -0.002 0.000 0.955 1037 D HN 0.322 nan 8.370 nan 0.000 0.465 1038 M N -0.387 119.146 119.600 -0.111 0.000 2.229 1038 M HA -0.047 4.433 4.480 0.000 0.000 0.264 1038 M C 1.972 178.171 176.300 -0.169 0.000 1.063 1038 M CA 0.852 56.076 55.300 -0.126 0.000 1.114 1038 M CB -0.007 32.518 32.600 -0.125 0.000 1.387 1038 M HN 0.021 nan 8.290 nan 0.000 0.420 1039 L N -0.708 120.356 121.223 -0.265 0.000 2.217 1039 L HA -0.035 4.305 4.340 0.000 0.000 0.211 1039 L C 0.090 176.896 176.870 -0.107 0.000 1.107 1039 L CA 0.576 55.283 54.840 -0.222 0.000 0.783 1039 L CB -0.251 41.626 42.059 -0.304 0.000 0.919 1039 L HN 0.252 nan 8.230 nan 0.000 0.442 1040 D N -1.073 119.278 120.400 -0.083 0.000 2.369 1040 D HA 0.067 4.707 4.640 0.000 0.000 0.212 1040 D C -0.599 175.688 176.300 -0.021 0.000 1.326 1040 D CA -0.278 53.703 54.000 -0.031 0.000 0.933 1040 D CB 0.967 41.758 40.800 -0.015 0.000 1.516 1040 D HN -0.247 nan 8.370 nan 0.000 0.557 1041 T N 4.789 119.338 114.554 -0.009 0.000 2.867 1041 T HA 0.246 4.596 4.350 0.000 0.000 0.297 1041 T C -2.266 172.442 174.700 0.014 0.000 0.989 1041 T CA -0.470 61.631 62.100 0.001 0.000 1.159 1041 T CB 0.810 69.682 68.868 0.007 0.000 0.928 1041 T HN 0.278 nan 8.240 nan 0.000 0.538 1042 P HA -0.008 nan 4.420 nan 0.000 0.261 1042 P C -0.518 176.820 177.300 0.065 0.000 1.165 1042 P CA 0.259 63.377 63.100 0.030 0.000 0.759 1042 P CB 0.311 32.028 31.700 0.028 0.000 0.772 1043 D N 4.957 125.403 120.400 0.078 0.000 2.483 1043 D HA 0.171 4.811 4.640 0.000 0.000 0.281 1043 D C -2.339 174.092 176.300 0.218 0.000 1.174 1043 D CA -1.242 52.845 54.000 0.146 0.000 0.938 1043 D CB 0.823 41.655 40.800 0.052 0.000 1.002 1043 D HN 0.262 nan 8.370 nan 0.000 0.501 1044 P HA 0.209 nan 4.420 nan 0.000 0.278 1044 P C -0.956 176.734 177.300 0.650 0.000 1.238 1044 P CA -0.286 63.031 63.100 0.361 0.000 0.794 1044 P CB 0.892 32.808 31.700 0.359 0.000 0.955 1045 Y N -0.699 119.779 120.300 0.296 0.000 2.609 1045 Y HA 0.645 5.195 4.550 0.000 0.000 0.336 1045 Y C -1.766 173.972 175.900 -0.269 0.000 1.129 1045 Y CA -1.421 56.723 58.100 0.072 0.000 1.040 1045 Y CB 0.588 39.075 38.460 0.046 0.000 1.310 1045 Y HN 0.096 nan 8.280 nan 0.000 0.460 1046 V N 1.947 121.588 119.914 -0.455 0.000 2.513 1046 V HA 0.472 4.592 4.120 0.000 0.000 0.299 1046 V C -0.709 175.232 176.094 -0.255 0.000 1.035 1046 V CA -0.731 61.264 62.300 -0.508 0.000 0.889 1046 V CB 1.554 32.945 31.823 -0.719 0.000 0.988 1046 V HN 0.840 nan 8.190 nan 0.000 0.440 1047 E N 4.056 124.119 120.200 -0.228 0.000 2.176 1047 E HA 0.655 5.005 4.350 0.000 0.000 0.267 1047 E C -1.605 174.910 176.600 -0.142 0.000 0.893 1047 E CA -0.602 55.725 56.400 -0.122 0.000 0.761 1047 E CB 1.521 31.207 29.700 -0.024 0.000 1.133 1047 E HN 0.621 nan 8.360 nan 0.000 0.409 1048 L N 4.378 125.513 121.223 -0.146 0.000 2.331 1048 L HA 0.681 5.021 4.340 0.000 0.000 0.275 1048 L C -0.806 176.166 176.870 0.171 0.000 1.022 1048 L CA -1.072 53.737 54.840 -0.053 0.000 0.812 1048 L CB 1.234 43.220 42.059 -0.122 0.000 1.257 1048 L HN 0.584 nan 8.230 nan 0.000 0.435 1049 F N 3.251 123.180 119.950 -0.036 0.000 2.635 1049 F HA 0.599 5.126 4.527 0.000 0.000 0.314 1049 F C -1.499 174.276 175.800 -0.040 0.000 1.119 1049 F CA -0.699 57.304 58.000 0.005 0.000 1.000 1049 F CB 1.402 40.398 39.000 -0.006 0.000 1.278 1049 F HN 0.185 nan 8.300 nan 0.000 0.446 1050 I N 5.358 125.429 120.570 -0.831 0.000 2.517 1050 I HA 0.161 4.331 4.170 0.000 0.000 0.280 1050 I C 0.588 176.154 176.117 -0.919 0.000 1.061 1050 I CA -0.462 60.415 61.300 -0.705 0.000 1.091 1050 I CB 2.000 39.751 38.000 -0.416 0.000 1.205 1050 I HN 0.697 nan 8.210 nan 0.000 0.459 1051 S N 1.578 116.694 115.700 -0.973 0.000 2.584 1051 S HA -0.111 4.359 4.470 0.000 0.000 0.240 1051 S C 1.320 175.766 174.600 -0.257 0.000 0.975 1051 S CA 1.091 58.951 58.200 -0.567 0.000 0.949 1051 S CB -0.660 62.432 63.200 -0.179 0.000 0.761 1051 S HN 0.765 nan 8.310 nan 0.000 0.536 1052 T N -1.792 112.616 114.554 -0.243 0.000 3.134 1052 T HA 0.316 4.666 4.350 0.000 0.000 0.260 1052 T C 0.234 174.826 174.700 -0.180 0.000 1.027 1052 T CA -0.330 61.685 62.100 -0.142 0.000 0.913 1052 T CB 0.048 68.865 68.868 -0.084 0.000 1.046 1052 T HN 0.312 nan 8.240 nan 0.000 0.553 1053 T N 2.744 117.139 114.554 -0.266 0.000 2.907 1053 T HA 0.577 4.927 4.350 0.000 0.000 0.292 1053 T C -3.114 171.354 174.700 -0.386 0.000 1.043 1053 T CA -1.696 60.138 62.100 -0.444 0.000 1.003 1053 T CB 1.878 70.621 68.868 -0.208 0.000 1.084 1053 T HN -0.144 nan 8.240 nan 0.000 0.483 1054 P HA 0.282 nan 4.420 nan 0.000 0.276 1054 P C -0.344 176.880 177.300 -0.126 0.000 1.243 1054 P CA 0.255 63.197 63.100 -0.263 0.000 0.768 1054 P CB 0.142 31.676 31.700 -0.276 0.000 0.856 1055 D N 2.748 123.135 120.400 -0.022 0.000 3.278 1055 D HA -0.151 4.489 4.640 0.000 0.000 0.233 1055 D C 0.383 176.721 176.300 0.065 0.000 1.149 1055 D CA 1.179 55.205 54.000 0.043 0.000 0.957 1055 D CB -1.018 39.787 40.800 0.008 0.000 0.913 1055 D HN 0.326 nan 8.370 nan 0.000 0.409 1056 S N 2.102 117.892 115.700 0.151 0.000 2.497 1056 S HA 0.057 4.527 4.470 0.000 0.000 0.218 1056 S C 1.120 175.939 174.600 0.365 0.000 1.023 1056 S CA -0.036 58.307 58.200 0.238 0.000 0.913 1056 S CB 0.207 63.435 63.200 0.047 0.000 0.800 1056 S HN 0.506 nan 8.310 nan 0.000 0.505 1057 R N 2.283 123.036 120.500 0.421 0.000 2.484 1057 R HA 0.251 4.591 4.340 0.000 0.000 0.293 1057 R C -0.627 175.761 176.300 0.146 0.000 1.023 1057 R CA 0.618 56.914 56.100 0.327 0.000 1.037 1057 R CB 0.207 30.617 30.300 0.183 0.000 0.951 1057 R HN 0.321 nan 8.270 nan 0.000 0.418 1058 K N 3.192 123.633 120.400 0.068 0.000 2.495 1058 K HA 0.532 4.852 4.320 0.000 0.000 0.268 1058 K C -1.259 175.249 176.600 -0.152 0.000 1.008 1058 K CA -1.147 55.114 56.287 -0.043 0.000 0.882 1058 K CB 2.216 34.638 32.500 -0.131 0.000 1.443 1058 K HN 0.689 nan 8.250 nan 0.000 0.447 1059 R N -0.800 119.628 120.500 -0.120 0.000 2.687 1059 R HA 0.271 4.611 4.340 0.000 0.000 0.265 1059 R C -0.777 175.567 176.300 0.074 0.000 1.048 1059 R CA -0.751 55.294 56.100 -0.093 0.000 0.884 1059 R CB 1.073 31.383 30.300 0.017 0.000 1.258 1059 R HN 0.779 nan 8.270 nan 0.000 0.469 1060 T N -0.947 113.631 114.554 0.040 0.000 2.771 1060 T HA 0.381 4.731 4.350 0.000 0.000 0.290 1060 T C 0.475 175.179 174.700 0.007 0.000 1.005 1060 T CA -0.778 61.380 62.100 0.096 0.000 0.944 1060 T CB 0.660 69.403 68.868 -0.209 0.000 1.147 1060 T HN 0.766 nan 8.240 nan 0.000 0.534 1061 R N 0.194 120.696 120.500 0.004 0.000 2.549 1061 R HA 0.417 4.757 4.340 0.000 0.000 0.267 1061 R C 0.419 176.674 176.300 -0.074 0.000 1.045 1061 R CA -0.978 55.043 56.100 -0.131 0.000 1.115 1061 R CB 0.375 30.527 30.300 -0.247 0.000 1.121 1061 R HN 0.956 nan 8.270 nan 0.000 0.543 1062 H N -0.343 118.631 119.070 -0.160 0.000 2.517 1062 H HA 0.428 4.984 4.556 0.000 0.000 0.346 1062 H C -1.226 173.921 175.328 -0.303 0.000 1.222 1062 H CA -0.727 55.321 56.048 -0.001 0.000 1.314 1062 H CB 1.109 30.916 29.762 0.076 0.000 1.609 1062 H HN 0.419 nan 8.280 nan 0.000 0.571 1063 F N 0.342 120.445 119.950 0.255 0.000 2.529 1063 F HA 0.208 4.736 4.527 0.000 0.000 0.320 1063 F C -0.006 175.894 175.800 0.166 0.000 1.118 1063 F CA -1.026 57.022 58.000 0.081 0.000 0.915 1063 F CB 1.714 40.694 39.000 -0.032 0.000 1.161 1063 F HN 0.477 nan 8.300 nan 0.000 0.445 1064 N N 4.507 123.391 118.700 0.306 0.000 2.442 1064 N HA 0.076 4.816 4.740 0.000 0.000 0.265 1064 N C -0.259 175.332 175.510 0.135 0.000 1.138 1064 N CA 0.132 53.305 53.050 0.206 0.000 0.956 1064 N CB 0.211 38.788 38.487 0.150 0.000 1.067 1064 N HN 0.546 nan 8.380 nan 0.000 0.474 1065 N N 0.769 119.531 118.700 0.103 0.000 2.714 1065 N HA -0.218 4.522 4.740 0.000 0.000 0.253 1065 N C -1.060 174.472 175.510 0.037 0.000 1.024 1065 N CA 0.843 53.927 53.050 0.058 0.000 0.726 1065 N CB -0.766 37.745 38.487 0.040 0.000 0.908 1065 N HN 0.619 nan 8.380 nan 0.000 0.542 1066 D N 0.800 121.228 120.400 0.046 0.000 2.481 1066 D HA 0.325 4.965 4.640 0.000 0.000 0.246 1066 D C 1.270 177.548 176.300 -0.038 0.000 1.109 1066 D CA -0.650 53.333 54.000 -0.030 0.000 0.845 1066 D CB 0.798 41.546 40.800 -0.087 0.000 1.160 1066 D HN 0.335 nan 8.370 nan 0.000 0.534 1067 I N 0.384 120.923 120.570 -0.052 0.000 3.793 1067 I HA 0.306 4.476 4.170 0.000 0.000 0.315 1067 I C -0.130 175.945 176.117 -0.069 0.000 1.275 1067 I CA -0.158 61.120 61.300 -0.037 0.000 1.214 1067 I CB 0.173 38.164 38.000 -0.016 0.000 1.018 1067 I HN -0.006 nan 8.210 nan 0.000 0.439 1068 N N 3.050 121.668 118.700 -0.137 0.000 2.642 1068 N HA 0.321 5.061 4.740 0.000 0.000 0.308 1068 N C -2.630 172.680 175.510 -0.332 0.000 1.914 1068 N CA -0.896 52.050 53.050 -0.173 0.000 0.893 1068 N CB 0.718 39.126 38.487 -0.132 0.000 1.322 1068 N HN 0.264 nan 8.380 nan 0.000 0.490 1069 P HA 0.070 nan 4.420 nan 0.000 0.268 1069 P C -0.254 176.480 177.300 -0.944 0.000 1.205 1069 P CA -0.030 62.543 63.100 -0.878 0.000 0.771 1069 P CB 1.558 32.676 31.700 -0.971 0.000 0.858 1070 V N 4.792 124.181 119.914 -0.875 0.000 2.349 1070 V HA 0.161 4.281 4.120 0.000 0.000 0.284 1070 V C 0.787 176.763 176.094 -0.197 0.000 1.014 1070 V CA -0.296 61.745 62.300 -0.431 0.000 0.826 1070 V CB 1.043 32.697 31.823 -0.283 0.000 1.009 1070 V HN 0.707 nan 8.190 nan 0.000 0.431 1071 W N 1.700 123.131 121.300 0.217 0.000 2.580 1071 W HA 0.120 4.780 4.660 0.000 0.000 0.287 1071 W C 1.124 177.734 176.519 0.152 0.000 1.175 1071 W CA 0.057 57.572 57.345 0.283 0.000 1.409 1071 W CB -0.159 29.454 29.460 0.255 0.000 1.101 1071 W HN 0.740 nan 8.180 nan 0.000 0.558 1072 N N 1.541 120.460 118.700 0.365 0.000 2.714 1072 N HA -0.194 4.546 4.740 0.000 0.000 0.253 1072 N C -0.776 174.814 175.510 0.134 0.000 1.024 1072 N CA 0.291 53.458 53.050 0.195 0.000 0.726 1072 N CB -0.982 37.577 38.487 0.120 0.000 0.908 1072 N HN 0.274 nan 8.380 nan 0.000 0.542 1073 E N 0.193 120.482 120.200 0.148 0.000 2.195 1073 E HA 0.364 4.714 4.350 0.000 0.000 0.271 1073 E C -0.498 175.981 176.600 -0.201 0.000 0.923 1073 E CA -0.509 55.858 56.400 -0.056 0.000 0.790 1073 E CB 1.679 31.365 29.700 -0.023 0.000 1.155 1073 E HN 0.022 nan 8.360 nan 0.000 0.402 1074 T N 2.522 116.801 114.554 -0.458 0.000 2.823 1074 T HA 0.555 4.905 4.350 0.000 0.000 0.279 1074 T C -0.882 173.360 174.700 -0.763 0.000 0.998 1074 T CA -0.478 61.387 62.100 -0.393 0.000 0.994 1074 T CB 0.364 69.104 68.868 -0.213 0.000 0.960 1074 T HN 0.218 nan 8.240 nan 0.000 0.448 1075 F N 0.814 120.706 119.950 -0.096 0.000 2.588 1075 F HA 0.570 5.097 4.527 0.000 0.000 0.314 1075 F C 0.453 176.120 175.800 -0.221 0.000 1.069 1075 F CA -1.062 56.827 58.000 -0.185 0.000 0.931 1075 F CB 1.992 40.906 39.000 -0.145 0.000 1.260 1075 F HN 0.414 nan 8.300 nan 0.000 0.465 1076 E N 1.378 121.430 120.200 -0.247 0.000 2.317 1076 E HA 0.614 4.964 4.350 0.000 0.000 0.270 1076 E C -1.777 174.578 176.600 -0.409 0.000 0.885 1076 E CA -0.843 55.460 56.400 -0.162 0.000 0.760 1076 E CB 3.027 32.673 29.700 -0.090 0.000 1.227 1076 E HN 0.377 nan 8.360 nan 0.000 0.434 1077 F N 0.914 120.932 119.950 0.113 0.000 2.588 1077 F HA 0.462 4.989 4.527 0.000 0.000 0.310 1077 F C -0.489 175.436 175.800 0.208 0.000 1.082 1077 F CA -1.140 56.957 58.000 0.162 0.000 0.929 1077 F CB 1.291 40.430 39.000 0.232 0.000 1.254 1077 F HN 0.232 nan 8.300 nan 0.000 0.455 1078 I N 3.649 124.449 120.570 0.383 0.000 2.330 1078 I HA 0.408 4.578 4.170 0.000 0.000 0.289 1078 I C -0.591 175.807 176.117 0.468 0.000 1.001 1078 I CA -0.583 60.943 61.300 0.376 0.000 1.193 1078 I CB 1.041 39.248 38.000 0.345 0.000 1.345 1078 I HN 0.380 nan 8.210 nan 0.000 0.461 1079 L N 4.693 126.141 121.223 0.375 0.000 2.330 1079 L HA 0.515 4.855 4.340 0.000 0.000 0.271 1079 L C -0.344 176.645 176.870 0.198 0.000 1.013 1079 L CA -1.006 54.026 54.840 0.320 0.000 0.816 1079 L CB 1.529 43.715 42.059 0.212 0.000 1.287 1079 L HN 0.393 nan 8.230 nan 0.000 0.435 1080 D N 2.909 123.424 120.400 0.192 0.000 2.411 1080 D HA 0.179 4.819 4.640 0.000 0.000 0.225 1080 D C -1.490 174.771 176.300 -0.065 0.000 1.156 1080 D CA -2.111 51.901 54.000 0.020 0.000 0.874 1080 D CB 1.222 42.080 40.800 0.098 0.000 1.034 1080 D HN 0.179 nan 8.370 nan 0.000 0.502 1081 P HA -0.165 nan 4.420 nan 0.000 0.224 1081 P C 0.250 177.479 177.300 -0.118 0.000 1.142 1081 P CA 0.932 63.864 63.100 -0.280 0.000 0.778 1081 P CB 0.175 31.456 31.700 -0.698 0.000 0.764 1082 N N -1.144 117.499 118.700 -0.094 0.000 2.461 1082 N HA 0.007 4.747 4.740 0.000 0.000 0.188 1082 N C 0.708 176.198 175.510 -0.033 0.000 1.134 1082 N CA -0.019 52.998 53.050 -0.056 0.000 0.878 1082 N CB 0.078 38.534 38.487 -0.052 0.000 0.972 1082 N HN 0.386 nan 8.380 nan 0.000 0.456 1083 Q N 0.125 119.909 119.800 -0.026 0.000 2.351 1083 Q HA 0.355 4.695 4.340 0.000 0.000 0.273 1083 Q C -0.561 175.417 176.000 -0.037 0.000 1.077 1083 Q CA -0.453 55.338 55.803 -0.020 0.000 0.843 1083 Q CB 1.300 30.040 28.738 0.002 0.000 1.367 1083 Q HN 0.169 nan 8.270 nan 0.000 0.449 1084 E N 1.582 121.755 120.200 -0.045 0.000 1.865 1084 E HA 0.134 4.484 4.350 0.000 0.000 0.269 1084 E C -0.922 175.627 176.600 -0.086 0.000 1.177 1084 E CA -0.189 56.172 56.400 -0.065 0.000 0.932 1084 E CB -0.819 28.847 29.700 -0.057 0.000 1.066 1084 E HN 0.494 nan 8.360 nan 0.000 0.405 1085 N N 0.798 119.432 118.700 -0.110 0.000 2.408 1085 N HA 0.405 5.145 4.740 0.000 0.000 0.257 1085 N C -0.358 175.034 175.510 -0.197 0.000 1.064 1085 N CA -0.480 52.480 53.050 -0.151 0.000 0.952 1085 N CB 1.821 40.214 38.487 -0.156 0.000 1.093 1085 N HN 0.505 nan 8.380 nan 0.000 0.490 1086 V N 0.896 120.706 119.914 -0.172 0.000 2.448 1086 V HA 0.493 4.613 4.120 0.000 0.000 0.295 1086 V C -0.383 175.637 176.094 -0.124 0.000 1.025 1086 V CA -1.131 61.085 62.300 -0.140 0.000 0.859 1086 V CB 1.329 33.099 31.823 -0.089 0.000 0.988 1086 V HN 0.426 nan 8.190 nan 0.000 0.431 1087 L N 4.348 125.545 121.223 -0.043 0.000 2.281 1087 L HA 0.523 4.863 4.340 0.000 0.000 0.285 1087 L C 0.278 177.167 176.870 0.032 0.000 1.074 1087 L CA 0.468 55.300 54.840 -0.014 0.000 0.817 1087 L CB 0.511 42.664 42.059 0.158 0.000 1.168 1087 L HN 0.838 nan 8.230 nan 0.000 0.434 1088 E N 6.215 126.429 120.200 0.022 0.000 2.200 1088 E HA 0.404 4.754 4.350 0.000 0.000 0.283 1088 E C -0.943 175.679 176.600 0.037 0.000 1.015 1088 E CA -0.229 56.218 56.400 0.078 0.000 0.819 1088 E CB 1.467 31.277 29.700 0.183 0.000 1.081 1088 E HN 0.546 nan 8.360 nan 0.000 0.397 1089 I N 2.390 122.959 120.570 -0.002 0.000 2.406 1089 I HA 0.259 4.429 4.170 0.000 0.000 0.290 1089 I C -0.328 175.784 176.117 -0.008 0.000 0.999 1089 I CA -0.473 60.785 61.300 -0.071 0.000 1.124 1089 I CB 1.958 39.832 38.000 -0.210 0.000 1.289 1089 I HN 0.327 nan 8.210 nan 0.000 0.441 1090 T N 6.698 121.196 114.554 -0.093 0.000 2.848 1090 T HA 0.436 4.786 4.350 0.000 0.000 0.285 1090 T C -0.455 174.057 174.700 -0.313 0.000 0.995 1090 T CA -0.485 61.537 62.100 -0.131 0.000 0.970 1090 T CB 1.682 70.478 68.868 -0.120 0.000 0.976 1090 T HN 0.344 nan 8.240 nan 0.000 0.441 1091 L N 4.791 125.757 121.223 -0.428 0.000 2.265 1091 L HA 0.511 4.851 4.340 0.000 0.000 0.288 1091 L C -0.611 175.994 176.870 -0.442 0.000 1.058 1091 L CA -0.521 53.992 54.840 -0.545 0.000 0.809 1091 L CB 0.626 42.197 42.059 -0.813 0.000 1.179 1091 L HN 0.466 nan 8.230 nan 0.000 0.429 1092 M N 3.356 122.610 119.600 -0.577 0.000 2.664 1092 M HA 0.341 4.821 4.480 0.000 0.000 0.314 1092 M C -0.958 175.077 176.300 -0.441 0.000 1.200 1092 M CA -0.688 54.228 55.300 -0.640 0.000 0.916 1092 M CB 1.617 33.434 32.600 -1.305 0.000 1.717 1092 M HN 0.348 nan 8.290 nan 0.000 0.470 1093 D N 1.531 121.787 120.400 -0.239 0.000 2.453 1093 D HA 0.565 5.205 4.640 0.000 0.000 0.238 1093 D C -0.828 175.469 176.300 -0.006 0.000 1.088 1093 D CA -0.264 53.690 54.000 -0.076 0.000 0.854 1093 D CB 1.137 41.908 40.800 -0.050 0.000 1.076 1093 D HN 0.696 nan 8.370 nan 0.000 0.533 1094 A N 4.306 127.177 122.820 0.084 0.000 2.491 1094 A HA 0.356 4.676 4.320 0.000 0.000 0.261 1094 A C 0.087 177.592 177.584 -0.132 0.000 1.101 1094 A CA -0.141 51.906 52.037 0.015 0.000 0.772 1094 A CB 0.041 18.904 19.000 -0.228 0.000 1.043 1094 A HN 0.635 nan 8.150 nan 0.000 0.501 1095 N N 0.496 119.125 118.700 -0.119 0.000 2.453 1095 N HA 0.418 5.158 4.740 0.000 0.000 0.290 1095 N C 0.122 175.534 175.510 -0.164 0.000 1.250 1095 N CA -0.500 52.474 53.050 -0.127 0.000 0.815 1095 N CB 0.648 39.122 38.487 -0.021 0.000 1.381 1095 N HN 0.518 nan 8.380 nan 0.000 0.510 1096 Y N -0.032 120.247 120.300 -0.035 0.000 2.220 1096 Y HA -0.113 4.437 4.550 0.000 0.000 0.291 1096 Y C 2.123 178.007 175.900 -0.026 0.000 1.129 1096 Y CA 1.080 59.160 58.100 -0.033 0.000 1.161 1096 Y CB -0.153 38.291 38.460 -0.026 0.000 0.997 1096 Y HN 0.411 nan 8.280 nan 0.000 0.522 1097 V N -2.222 117.775 119.914 0.138 0.000 2.391 1097 V HA 0.117 4.237 4.120 0.000 0.000 0.237 1097 V C 0.656 176.773 176.094 0.038 0.000 1.046 1097 V CA 0.623 62.967 62.300 0.074 0.000 1.053 1097 V CB -0.032 31.827 31.823 0.060 0.000 0.704 1097 V HN 0.191 nan 8.190 nan 0.000 0.475 1098 M N 1.658 121.275 119.600 0.029 0.000 2.182 1098 M HA 0.470 4.950 4.480 0.000 0.000 0.266 1098 M C -1.811 174.495 176.300 0.011 0.000 0.989 1098 M CA -0.540 54.770 55.300 0.016 0.000 1.003 1098 M CB 1.555 34.164 32.600 0.015 0.000 1.812 1098 M HN 0.293 nan 8.290 nan 0.000 0.472 1099 D N 3.649 124.058 120.400 0.015 0.000 2.548 1099 D HA -0.016 4.625 4.640 0.000 0.000 0.231 1099 D C -0.449 175.847 176.300 -0.006 0.000 1.142 1099 D CA 0.860 54.874 54.000 0.024 0.000 0.866 1099 D CB 0.698 41.558 40.800 0.101 0.000 1.190 1099 D HN 0.540 nan 8.370 nan 0.000 0.469 1100 E N 0.240 120.422 120.200 -0.030 0.000 2.179 1100 E HA 0.269 4.619 4.350 0.000 0.000 0.275 1100 E C -0.763 175.785 176.600 -0.086 0.000 0.945 1100 E CA -0.667 55.708 56.400 -0.041 0.000 0.792 1100 E CB 1.101 30.785 29.700 -0.026 0.000 1.125 1100 E HN 0.340 nan 8.360 nan 0.000 0.397 1101 T N 4.222 118.732 114.554 -0.074 0.000 2.728 1101 T HA 0.262 4.612 4.350 0.000 0.000 0.296 1101 T C 0.953 175.612 174.700 -0.068 0.000 0.940 1101 T CA -0.430 61.610 62.100 -0.099 0.000 1.013 1101 T CB 0.309 69.134 68.868 -0.071 0.000 0.912 1101 T HN 0.523 nan 8.240 nan 0.000 0.484 1102 L N 4.081 125.243 121.223 -0.101 0.000 2.477 1102 L HA 0.457 4.797 4.340 0.000 0.000 0.220 1102 L C 1.382 178.255 176.870 0.004 0.000 1.106 1102 L CA -0.124 54.682 54.840 -0.056 0.000 0.851 1102 L CB -0.062 41.942 42.059 -0.091 0.000 0.994 1102 L HN 0.839 nan 8.230 nan 0.000 0.462 1103 G N -0.947 107.852 108.800 -0.002 0.000 2.655 1103 G HA2 0.486 4.446 3.960 0.000 0.000 0.296 1103 G HA3 0.486 4.446 3.960 0.000 0.000 0.296 1103 G C -1.324 173.759 174.900 0.306 0.000 1.485 1103 G CA -0.316 44.946 45.100 0.269 0.000 0.869 1103 G HN -0.243 nan 8.290 nan 0.000 0.540 1104 T N -0.068 114.701 114.554 0.359 0.000 2.876 1104 T HA 0.880 5.230 4.350 0.000 0.000 0.289 1104 T C -0.068 174.762 174.700 0.217 0.000 1.014 1104 T CA 0.169 62.422 62.100 0.254 0.000 0.986 1104 T CB 1.781 70.720 68.868 0.120 0.000 1.021 1104 T HN 1.599 nan 8.240 nan 0.000 0.458 1105 A N 1.416 124.339 122.820 0.172 0.000 2.593 1105 A HA 0.934 5.254 4.320 0.000 0.000 0.290 1105 A C -0.513 177.133 177.584 0.102 0.000 1.126 1105 A CA -0.780 51.307 52.037 0.084 0.000 0.695 1105 A CB 2.044 21.034 19.000 -0.016 0.000 1.290 1105 A HN 0.738 nan 8.150 nan 0.000 0.414 1106 T N -0.743 113.921 114.554 0.183 0.000 2.901 1106 T HA 0.726 5.076 4.350 0.000 0.000 0.293 1106 T C -2.054 172.875 174.700 0.382 0.000 1.084 1106 T CA -0.312 61.900 62.100 0.187 0.000 1.008 1106 T CB 1.072 70.003 68.868 0.104 0.000 1.170 1106 T HN 1.309 nan 8.240 nan 0.000 0.509 1107 F N 1.945 121.968 119.950 0.121 0.000 2.787 1107 F HA 0.421 4.948 4.527 0.000 0.000 0.340 1107 F C -0.543 175.267 175.800 0.016 0.000 1.232 1107 F CA -0.453 57.640 58.000 0.155 0.000 1.051 1107 F CB 1.534 40.691 39.000 0.263 0.000 1.330 1107 F HN 0.472 nan 8.300 nan 0.000 0.522 1108 T N 6.184 120.395 114.554 -0.570 0.000 2.739 1108 T HA 0.204 4.554 4.350 0.000 0.000 0.298 1108 T C 1.466 175.741 174.700 -0.709 0.000 0.929 1108 T CA -0.337 61.475 62.100 -0.480 0.000 1.014 1108 T CB 1.178 69.858 68.868 -0.314 0.000 0.914 1108 T HN 0.481 nan 8.240 nan 0.000 0.509 1109 V N 3.388 122.974 119.914 -0.546 0.000 2.324 1109 V HA -0.221 3.899 4.120 0.000 0.000 0.250 1109 V C 2.692 178.595 176.094 -0.319 0.000 1.060 1109 V CA 2.356 64.357 62.300 -0.499 0.000 1.042 1109 V CB -0.940 30.524 31.823 -0.599 0.000 0.650 1109 V HN 1.030 nan 8.190 nan 0.000 0.450 1110 S N 0.794 116.348 115.700 -0.245 0.000 2.571 1110 S HA -0.144 4.326 4.470 0.000 0.000 0.245 1110 S C 1.813 176.322 174.600 -0.152 0.000 0.976 1110 S CA 1.169 59.280 58.200 -0.148 0.000 0.954 1110 S CB -0.667 62.468 63.200 -0.108 0.000 0.756 1110 S HN 0.795 nan 8.310 nan 0.000 0.535 1111 S N 0.966 116.525 115.700 -0.236 0.000 2.603 1111 S HA 0.280 4.750 4.470 0.000 0.000 0.220 1111 S C 0.626 175.170 174.600 -0.093 0.000 0.967 1111 S CA -0.298 57.789 58.200 -0.188 0.000 0.920 1111 S CB -0.658 62.369 63.200 -0.289 0.000 0.773 1111 S HN 0.818 nan 8.310 nan 0.000 0.529 1112 M N -0.436 119.128 119.600 -0.061 0.000 2.727 1112 M HA 0.709 5.190 4.480 0.000 0.000 0.300 1112 M C -1.436 174.864 176.300 -0.000 0.000 1.246 1112 M CA -1.019 54.297 55.300 0.027 0.000 0.835 1112 M CB 1.526 34.215 32.600 0.149 0.000 1.755 1112 M HN -0.323 nan 8.290 nan 0.000 0.473 1113 K N 1.900 122.308 120.400 0.014 0.000 2.156 1113 K HA 0.519 4.839 4.320 0.000 0.000 0.254 1113 K C -0.516 176.073 176.600 -0.018 0.000 0.950 1113 K CA -0.711 55.571 56.287 -0.008 0.000 0.849 1113 K CB 2.235 34.739 32.500 0.005 0.000 1.100 1113 K HN 0.799 nan 8.250 nan 0.000 0.434 1114 V N -1.108 118.769 119.914 -0.062 0.000 2.788 1114 V HA 0.318 4.438 4.120 0.000 0.000 0.307 1114 V C 1.202 177.290 176.094 -0.009 0.000 1.069 1114 V CA 0.845 63.101 62.300 -0.073 0.000 1.173 1114 V CB -0.094 31.677 31.823 -0.088 0.000 0.925 1114 V HN 1.041 nan 8.190 nan 0.000 0.492 1115 G N 2.061 110.866 108.800 0.009 0.000 2.241 1115 G HA2 -0.274 3.686 3.960 0.000 0.000 0.244 1115 G HA3 -0.274 3.686 3.960 0.000 0.000 0.244 1115 G C 0.248 175.167 174.900 0.033 0.000 0.998 1115 G CA 0.476 45.590 45.100 0.023 0.000 0.621 1115 G HN 1.287 nan 8.290 nan 0.000 0.519 1116 E N 0.721 120.944 120.200 0.039 0.000 2.301 1116 E HA 0.603 4.953 4.350 0.000 0.000 0.275 1116 E C -0.193 176.451 176.600 0.072 0.000 1.030 1116 E CA -0.572 55.860 56.400 0.054 0.000 0.852 1116 E CB 0.569 30.304 29.700 0.059 0.000 1.060 1116 E HN 0.263 nan 8.360 nan 0.000 0.401 1117 K N 3.435 123.874 120.400 0.065 0.000 2.513 1117 K HA 0.327 4.647 4.320 0.000 0.000 0.251 1117 K C -1.709 174.928 176.600 0.061 0.000 0.939 1117 K CA -0.712 55.614 56.287 0.064 0.000 0.793 1117 K CB 1.089 33.616 32.500 0.044 0.000 1.241 1117 K HN 0.641 nan 8.250 nan 0.000 0.431 1118 K N 1.815 122.254 120.400 0.064 0.000 2.625 1118 K HA 0.292 4.612 4.320 0.000 0.000 0.284 1118 K C -1.353 175.273 176.600 0.043 0.000 0.984 1118 K CA -1.024 55.297 56.287 0.057 0.000 0.865 1118 K CB 1.533 34.077 32.500 0.074 0.000 1.468 1118 K HN 0.383 nan 8.250 nan 0.000 0.407 1119 E N 1.274 121.497 120.200 0.039 0.000 2.249 1119 E HA 0.371 4.721 4.350 0.000 0.000 0.280 1119 E C -0.908 175.711 176.600 0.033 0.000 1.016 1119 E CA -1.075 55.349 56.400 0.039 0.000 0.830 1119 E CB 2.064 31.791 29.700 0.045 0.000 1.081 1119 E HN 0.298 nan 8.360 nan 0.000 0.395 1120 V N 4.929 124.866 119.914 0.039 0.000 2.531 1120 V HA 0.355 4.475 4.120 0.000 0.000 0.301 1120 V C -2.259 173.811 176.094 -0.040 0.000 1.034 1120 V CA -1.848 60.432 62.300 -0.032 0.000 0.865 1120 V CB 1.729 33.518 31.823 -0.056 0.000 0.995 1120 V HN 0.614 nan 8.190 nan 0.000 0.424 1121 P HA 0.557 nan 4.420 nan 0.000 0.294 1121 P C -1.499 175.598 177.300 -0.337 0.000 1.294 1121 P CA -0.388 62.667 63.100 -0.074 0.000 0.827 1121 P CB 1.210 32.884 31.700 -0.044 0.000 0.992 1122 F N 2.631 122.599 119.950 0.030 0.000 2.540 1122 F HA 0.459 4.986 4.527 0.000 0.000 0.317 1122 F C 0.248 175.975 175.800 -0.121 0.000 1.104 1122 F CA -1.029 56.912 58.000 -0.098 0.000 0.913 1122 F CB 1.845 40.765 39.000 -0.134 0.000 1.170 1122 F HN 0.127 nan 8.300 nan 0.000 0.450 1123 I N 3.875 124.379 120.570 -0.110 0.000 2.389 1123 I HA 0.585 4.755 4.170 0.000 0.000 0.288 1123 I C -1.692 174.311 176.117 -0.191 0.000 0.999 1123 I CA -0.835 60.442 61.300 -0.038 0.000 1.129 1123 I CB 0.257 38.255 38.000 -0.003 0.000 1.288 1123 I HN 0.307 nan 8.210 nan 0.000 0.444 1124 F N 6.358 126.371 119.950 0.105 0.000 2.443 1124 F HA 0.465 4.992 4.527 0.000 0.000 0.335 1124 F C 1.031 176.867 175.800 0.061 0.000 1.104 1124 F CA -0.663 57.386 58.000 0.080 0.000 1.013 1124 F CB 0.831 39.873 39.000 0.071 0.000 1.136 1124 F HN 0.528 nan 8.300 nan 0.000 0.470 1125 N N 1.699 120.521 118.700 0.203 0.000 2.721 1125 N HA -0.339 4.401 4.740 0.000 0.000 0.249 1125 N C 1.056 176.625 175.510 0.098 0.000 1.072 1125 N CA 1.288 54.417 53.050 0.132 0.000 0.710 1125 N CB -1.400 37.166 38.487 0.133 0.000 0.993 1125 N HN 0.984 nan 8.380 nan 0.000 0.547 1126 Q N -3.354 116.493 119.800 0.079 0.000 2.151 1126 Q HA -0.338 4.002 4.340 0.000 0.000 0.161 1126 Q C 1.406 177.446 176.000 0.065 0.000 0.610 1126 Q CA 2.562 58.399 55.803 0.057 0.000 1.451 1126 Q CB -2.091 26.674 28.738 0.044 0.000 1.538 1126 Q HN 0.550 nan 8.270 nan 0.000 0.864 1127 V N -1.059 118.908 119.914 0.088 0.000 3.371 1127 V HA 0.258 4.378 4.120 0.000 0.000 0.246 1127 V C 1.238 177.394 176.094 0.104 0.000 1.303 1127 V CA 1.080 63.429 62.300 0.082 0.000 1.156 1127 V CB 1.437 33.301 31.823 0.068 0.000 0.929 1127 V HN 0.855 nan 8.190 nan 0.000 0.459 1128 T N 1.470 116.113 114.554 0.148 0.000 2.806 1128 T HA 0.589 4.939 4.350 0.000 0.000 0.290 1128 T C -0.330 174.522 174.700 0.252 0.000 0.966 1128 T CA 0.515 62.719 62.100 0.173 0.000 1.060 1128 T CB 1.047 70.012 68.868 0.162 0.000 0.927 1128 T HN 0.550 nan 8.240 nan 0.000 0.485 1129 E N 4.621 124.949 120.200 0.214 0.000 2.171 1129 E HA 0.633 4.983 4.350 0.000 0.000 0.271 1129 E C -0.662 176.115 176.600 0.296 0.000 0.916 1129 E CA -0.843 55.702 56.400 0.243 0.000 0.774 1129 E CB 1.602 31.392 29.700 0.150 0.000 1.128 1129 E HN 0.894 nan 8.360 nan 0.000 0.403 1130 M N 2.321 122.170 119.600 0.415 0.000 2.383 1130 M HA 0.653 5.133 4.480 0.000 0.000 0.325 1130 M C -1.625 174.919 176.300 0.406 0.000 1.092 1130 M CA -0.825 54.738 55.300 0.438 0.000 0.961 1130 M CB 1.822 34.772 32.600 0.585 0.000 1.672 1130 M HN 0.381 nan 8.290 nan 0.000 0.438 1131 V N 5.946 126.054 119.914 0.323 0.000 2.540 1131 V HA 0.611 4.731 4.120 0.000 0.000 0.302 1131 V C -0.652 175.586 176.094 0.241 0.000 1.035 1131 V CA -0.697 61.766 62.300 0.272 0.000 0.873 1131 V CB 1.792 33.721 31.823 0.178 0.000 0.992 1131 V HN 0.821 nan 8.190 nan 0.000 0.428 1132 L N 2.661 124.020 121.223 0.227 0.000 2.388 1132 L HA 0.863 5.203 4.340 0.000 0.000 0.264 1132 L C 0.070 176.979 176.870 0.064 0.000 0.998 1132 L CA -0.691 54.223 54.840 0.124 0.000 0.817 1132 L CB 2.175 44.265 42.059 0.052 0.000 1.338 1132 L HN 0.779 nan 8.230 nan 0.000 0.414 1133 E N 3.629 123.843 120.200 0.022 0.000 2.151 1133 E HA 0.683 5.033 4.350 0.000 0.000 0.275 1133 E C -0.867 175.696 176.600 -0.061 0.000 0.936 1133 E CA -0.740 55.658 56.400 -0.002 0.000 0.777 1133 E CB 1.807 31.518 29.700 0.018 0.000 1.108 1133 E HN 0.447 nan 8.360 nan 0.000 0.401 1134 M N 0.978 120.540 119.600 -0.065 0.000 2.472 1134 M HA 0.713 5.193 4.480 0.000 0.000 0.331 1134 M C -0.423 175.908 176.300 0.052 0.000 1.170 1134 M CA -1.092 54.172 55.300 -0.059 0.000 1.009 1134 M CB 1.214 33.808 32.600 -0.010 0.000 1.672 1134 M HN 0.411 nan 8.290 nan 0.000 0.453 1135 S N 1.828 117.570 115.700 0.070 0.000 2.546 1135 S HA 0.824 5.294 4.470 0.000 0.000 0.274 1135 S C -1.590 173.150 174.600 0.233 0.000 1.121 1135 S CA -0.657 57.612 58.200 0.115 0.000 0.887 1135 S CB 2.613 65.840 63.200 0.045 0.000 1.094 1135 S HN 0.600 nan 8.310 nan 0.000 0.474 1136 L N 2.541 123.871 121.223 0.179 0.000 2.436 1136 L HA 0.760 5.100 4.340 0.000 0.000 0.268 1136 L C -1.350 175.548 176.870 0.047 0.000 0.974 1136 L CA 0.005 54.936 54.840 0.152 0.000 0.826 1136 L CB 1.637 43.743 42.059 0.078 0.000 1.291 1136 L HN 0.582 nan 8.230 nan 0.000 0.406 1137 E N 2.678 122.901 120.200 0.039 0.000 2.433 1137 E HA 0.512 4.862 4.350 0.000 0.000 0.278 1137 E C -1.458 175.185 176.600 0.073 0.000 0.976 1137 E CA -0.616 55.807 56.400 0.038 0.000 0.793 1137 E CB 2.496 32.235 29.700 0.065 0.000 1.311 1137 E HN 0.309 nan 8.360 nan 0.000 0.460 1138 V N 0.681 120.657 119.914 0.105 0.000 2.644 1138 V HA 0.247 4.367 4.120 0.000 0.000 0.295 1138 V C -0.099 176.081 176.094 0.142 0.000 1.053 1138 V CA -0.524 61.893 62.300 0.194 0.000 0.987 1138 V CB 1.571 33.495 31.823 0.168 0.000 1.006 1138 V HN 0.732 nan 8.190 nan 0.000 0.472 1139 C N 3.119 122.506 119.300 0.145 0.000 2.239 1139 C HA 0.355 4.815 4.460 0.000 0.000 0.323 1139 C C 1.504 176.545 174.990 0.085 0.000 1.205 1139 C CA -0.289 58.791 59.018 0.104 0.000 1.584 1139 C CB 0.110 27.911 27.740 0.102 0.000 2.201 1139 C HN 1.003 nan 8.230 nan 0.000 0.475 1140 S N 0.525 116.271 115.700 0.077 0.000 2.524 1140 S HA 0.072 4.542 4.470 0.000 0.000 0.215 1140 S C 0.304 174.950 174.600 0.077 0.000 0.986 1140 S CA 0.088 58.330 58.200 0.070 0.000 0.911 1140 S CB 0.095 63.332 63.200 0.062 0.000 0.805 1140 S HN 0.849 nan 8.310 nan 0.000 0.501 1141 C N 4.333 123.682 119.300 0.081 0.000 2.437 1141 C HA 0.454 4.914 4.460 0.000 0.000 0.307 1141 C C -2.038 173.011 174.990 0.099 0.000 1.093 1141 C CA -2.104 56.967 59.018 0.088 0.000 1.463 1141 C CB 0.041 27.822 27.740 0.069 0.000 1.926 1141 C HN 0.388 nan 8.230 nan 0.000 0.420 1142 P HA 0.130 nan 4.420 nan 0.000 0.271 1142 P C 0.225 177.591 177.300 0.109 0.000 1.233 1142 P CA 0.343 63.533 63.100 0.150 0.000 0.789 1142 P CB 1.177 33.026 31.700 0.248 0.000 0.951 1143 D N -0.566 119.919 120.400 0.142 0.000 2.323 1143 D HA 0.030 4.670 4.640 0.000 0.000 0.209 1143 D C 0.516 176.879 176.300 0.106 0.000 0.973 1143 D CA 0.595 54.680 54.000 0.141 0.000 0.874 1143 D CB 0.174 41.086 40.800 0.186 0.000 0.930 1143 D HN 0.100 nan 8.370 nan 0.000 0.521 1144 L N 1.011 122.242 121.223 0.014 0.000 2.350 1144 L HA 0.213 4.553 4.340 0.000 0.000 0.275 1144 L C 0.527 177.077 176.870 -0.534 0.000 1.099 1144 L CA -0.091 54.566 54.840 -0.305 0.000 0.808 1144 L CB 1.009 42.782 42.059 -0.476 0.000 1.149 1144 L HN -0.238 nan 8.230 nan 0.000 0.442 1145 R N 2.959 123.186 120.500 -0.454 0.000 2.294 1145 R HA 0.413 4.753 4.340 0.000 0.000 0.319 1145 R C -1.524 174.558 176.300 -0.363 0.000 0.984 1145 R CA -0.425 55.508 56.100 -0.279 0.000 0.861 1145 R CB 0.469 30.758 30.300 -0.019 0.000 1.104 1145 R HN 0.346 nan 8.270 nan 0.000 0.451 1146 F N 3.023 123.048 119.950 0.125 0.000 2.325 1146 F HA 0.425 4.953 4.527 0.000 0.000 0.369 1146 F C 0.136 176.017 175.800 0.134 0.000 1.095 1146 F CA -0.297 57.773 58.000 0.116 0.000 1.082 1146 F CB 1.667 40.712 39.000 0.075 0.000 1.289 1146 F HN 0.438 nan 8.300 nan 0.000 0.462 1147 S N 2.981 118.878 115.700 0.328 0.000 2.586 1147 S HA 0.410 4.880 4.470 0.000 0.000 0.277 1147 S C 0.061 174.840 174.600 0.299 0.000 1.131 1147 S CA -0.692 57.660 58.200 0.254 0.000 0.848 1147 S CB 1.056 64.366 63.200 0.182 0.000 1.091 1147 S HN 0.391 nan 8.310 nan 0.000 0.453 1148 M N 2.000 121.731 119.600 0.219 0.000 2.510 1148 M HA 0.311 4.791 4.480 0.000 0.000 0.256 1148 M C 1.108 177.497 176.300 0.147 0.000 1.132 1148 M CA 0.476 55.907 55.300 0.218 0.000 1.105 1148 M CB -1.222 31.471 32.600 0.155 0.000 1.375 1148 M HN 0.757 nan 8.290 nan 0.000 0.477 1149 A N 1.502 124.383 122.820 0.102 0.000 2.386 1149 A HA 0.426 4.746 4.320 0.000 0.000 0.246 1149 A C 0.246 177.816 177.584 -0.023 0.000 1.089 1149 A CA -0.398 51.666 52.037 0.046 0.000 0.790 1149 A CB 0.094 19.121 19.000 0.044 0.000 1.042 1149 A HN 0.394 nan 8.150 nan 0.000 0.497 1150 L N 0.846 122.049 121.223 -0.033 0.000 2.426 1150 L HA 0.178 4.518 4.340 0.000 0.000 0.271 1150 L C 0.936 177.751 176.870 -0.091 0.000 1.169 1150 L CA -0.619 54.169 54.840 -0.087 0.000 0.836 1150 L CB 0.217 42.272 42.059 -0.006 0.000 1.112 1150 L HN 0.951 nan 8.230 nan 0.000 0.465 1151 C N 0.364 119.573 119.300 -0.151 0.000 2.700 1151 C HA 0.068 4.528 4.460 0.000 0.000 0.397 1151 C C 1.585 176.525 174.990 -0.084 0.000 1.301 1151 C CA -0.813 58.137 59.018 -0.114 0.000 2.219 1151 C CB 0.323 27.983 27.740 -0.133 0.000 2.699 1151 C HN 0.843 nan 8.230 nan 0.000 0.669 1152 D N 0.540 120.895 120.400 -0.075 0.000 2.190 1152 D HA -0.158 4.482 4.640 0.000 0.000 0.200 1152 D C 2.124 178.348 176.300 -0.127 0.000 0.992 1152 D CA 1.774 55.730 54.000 -0.073 0.000 0.854 1152 D CB -0.303 40.463 40.800 -0.056 0.000 0.936 1152 D HN 0.794 nan 8.370 nan 0.000 0.462 1153 Q N 0.123 119.778 119.800 -0.243 0.000 2.119 1153 Q HA -0.128 4.212 4.340 0.000 0.000 0.201 1153 Q C 2.109 177.851 176.000 -0.429 0.000 0.972 1153 Q CA 0.968 56.462 55.803 -0.514 0.000 0.847 1153 Q CB 0.017 28.158 28.738 -0.996 0.000 0.903 1153 Q HN 0.371 nan 8.270 nan 0.000 0.433 1154 E N 0.726 120.821 120.200 -0.174 0.000 2.107 1154 E HA -0.162 4.188 4.350 0.000 0.000 0.191 1154 E C 1.619 178.324 176.600 0.174 0.000 0.982 1154 E CA 0.764 57.246 56.400 0.136 0.000 0.809 1154 E CB 0.252 30.052 29.700 0.166 0.000 0.756 1154 E HN 0.168 nan 8.360 nan 0.000 0.459 1155 K N -0.260 120.178 120.400 0.063 0.000 2.026 1155 K HA -0.095 4.225 4.320 0.000 0.000 0.208 1155 K C 2.238 178.870 176.600 0.053 0.000 1.048 1155 K CA 1.724 58.048 56.287 0.062 0.000 0.929 1155 K CB -0.199 32.314 32.500 0.021 0.000 0.713 1155 K HN 0.098 nan 8.250 nan 0.000 0.439 1156 T N 1.346 115.911 114.554 0.018 0.000 2.720 1156 T HA -0.179 4.171 4.350 0.000 0.000 0.268 1156 T C 1.484 176.212 174.700 0.047 0.000 1.037 1156 T CA 1.367 63.473 62.100 0.009 0.000 1.144 1156 T CB -0.369 68.485 68.868 -0.023 0.000 0.864 1156 T HN 0.230 nan 8.240 nan 0.000 0.444 1157 F N 2.098 122.043 119.950 -0.008 0.000 2.126 1157 F HA -0.114 4.413 4.527 0.000 0.000 0.299 1157 F C 2.408 178.222 175.800 0.023 0.000 1.096 1157 F CA 1.291 59.326 58.000 0.058 0.000 1.255 1157 F CB -0.151 38.962 39.000 0.188 0.000 0.997 1157 F HN -0.059 nan 8.300 nan 0.000 0.479 1158 R N -0.045 120.490 120.500 0.058 0.000 2.073 1158 R HA -0.202 4.138 4.340 0.000 0.000 0.234 1158 R C 2.636 178.855 176.300 -0.135 0.000 1.134 1158 R CA 1.993 58.060 56.100 -0.055 0.000 0.952 1158 R CB -1.104 29.243 30.300 0.079 0.000 0.850 1158 R HN 0.511 nan 8.270 nan 0.000 0.433 1159 Q N 0.388 120.142 119.800 -0.077 0.000 2.084 1159 Q HA -0.221 4.120 4.340 0.000 0.000 0.202 1159 Q C 2.152 178.084 176.000 -0.114 0.000 0.978 1159 Q CA 2.131 57.890 55.803 -0.073 0.000 0.844 1159 Q CB -1.303 27.411 28.738 -0.040 0.000 0.898 1159 Q HN 0.689 nan 8.270 nan 0.000 0.426 1160 Q N 0.213 119.917 119.800 -0.159 0.000 2.297 1160 Q HA 0.014 4.354 4.340 0.000 0.000 0.204 1160 Q C 1.969 177.824 176.000 -0.241 0.000 0.962 1160 Q CA 1.618 57.316 55.803 -0.175 0.000 0.879 1160 Q CB -0.360 28.282 28.738 -0.159 0.000 0.947 1160 Q HN 0.819 nan 8.270 nan 0.000 0.462 1161 R N -0.630 119.652 120.500 -0.362 0.000 2.254 1161 R HA 0.141 4.481 4.340 0.000 0.000 0.193 1161 R C 2.194 178.407 176.300 -0.145 0.000 0.929 1161 R CA 0.665 56.570 56.100 -0.325 0.000 1.038 1161 R CB 0.018 29.947 30.300 -0.618 0.000 1.009 1161 R HN 0.440 nan 8.270 nan 0.000 0.512 1162 K N 0.895 121.211 120.400 -0.140 0.000 2.015 1162 K HA -0.238 4.082 4.320 0.000 0.000 0.220 1162 K C 1.391 177.954 176.600 -0.062 0.000 1.055 1162 K CA 2.173 58.409 56.287 -0.085 0.000 0.951 1162 K CB -0.033 32.426 32.500 -0.068 0.000 0.725 1162 K HN 0.096 nan 8.250 nan 0.000 0.449 1163 E N -0.207 119.964 120.200 -0.049 0.000 2.110 1163 E HA -0.217 4.133 4.350 0.000 0.000 0.193 1163 E C 1.993 178.572 176.600 -0.034 0.000 0.988 1163 E CA 1.448 57.824 56.400 -0.041 0.000 0.804 1163 E CB -0.569 29.113 29.700 -0.029 0.000 0.745 1163 E HN 0.536 nan 8.360 nan 0.000 0.458 1164 H N 0.691 119.701 119.070 -0.100 0.000 2.352 1164 H HA -0.091 4.465 4.556 0.000 0.000 0.299 1164 H C 1.907 177.182 175.328 -0.089 0.000 1.097 1164 H CA 1.490 57.481 56.048 -0.095 0.000 1.311 1164 H CB -0.044 29.651 29.762 -0.110 0.000 1.377 1164 H HN 0.024 nan 8.280 nan 0.000 0.504 1165 I N 0.612 121.105 120.570 -0.128 0.000 2.142 1165 I HA -0.227 3.943 4.170 0.000 0.000 0.240 1165 I C 2.679 178.694 176.117 -0.171 0.000 1.078 1165 I CA 1.384 62.590 61.300 -0.156 0.000 1.343 1165 I CB -1.175 36.780 38.000 -0.076 0.000 1.046 1165 I HN 0.364 nan 8.210 nan 0.000 0.405 1166 R N 1.113 121.532 120.500 -0.134 0.000 2.097 1166 R HA -0.256 4.084 4.340 0.000 0.000 0.236 1166 R C 2.429 178.631 176.300 -0.163 0.000 1.135 1166 R CA 2.872 58.891 56.100 -0.134 0.000 0.934 1166 R CB -0.366 29.866 30.300 -0.114 0.000 0.846 1166 R HN 0.466 nan 8.270 nan 0.000 0.431 1167 E N 0.089 120.190 120.200 -0.166 0.000 2.118 1167 E HA -0.155 4.195 4.350 0.000 0.000 0.195 1167 E C 1.906 178.396 176.600 -0.185 0.000 0.992 1167 E CA 1.738 58.043 56.400 -0.159 0.000 0.804 1167 E CB -0.771 28.851 29.700 -0.131 0.000 0.741 1167 E HN 0.571 nan 8.360 nan 0.000 0.458 1168 S N -0.278 115.262 115.700 -0.266 0.000 2.402 1168 S HA -0.047 4.423 4.470 0.000 0.000 0.229 1168 S C 2.206 176.708 174.600 -0.163 0.000 1.021 1168 S CA 1.456 59.500 58.200 -0.259 0.000 0.974 1168 S CB -0.218 62.749 63.200 -0.388 0.000 0.800 1168 S HN 0.550 nan 8.310 nan 0.000 0.484 1169 M N 0.829 120.342 119.600 -0.146 0.000 2.156 1169 M HA -0.040 4.440 4.480 0.000 0.000 0.264 1169 M C 2.099 178.342 176.300 -0.096 0.000 1.067 1169 M CA 1.165 56.403 55.300 -0.104 0.000 1.131 1169 M CB -0.279 32.266 32.600 -0.093 0.000 1.368 1169 M HN 0.155 nan 8.290 nan 0.000 0.416 1170 K N 0.848 121.177 120.400 -0.119 0.000 2.032 1170 K HA -0.198 4.122 4.320 0.000 0.000 0.209 1170 K C 2.424 178.985 176.600 -0.064 0.000 1.048 1170 K CA 2.143 58.368 56.287 -0.104 0.000 0.927 1170 K CB -0.437 31.982 32.500 -0.136 0.000 0.712 1170 K HN 0.314 nan 8.250 nan 0.000 0.441 1171 K N 1.232 121.588 120.400 -0.073 0.000 2.097 1171 K HA -0.122 4.198 4.320 0.000 0.000 0.206 1171 K C 1.955 178.525 176.600 -0.049 0.000 1.049 1171 K CA 1.649 57.903 56.287 -0.057 0.000 0.933 1171 K CB -0.887 31.570 32.500 -0.070 0.000 0.717 1171 K HN 0.137 nan 8.250 nan 0.000 0.442 1172 L N -0.146 121.042 121.223 -0.058 0.000 2.072 1172 L HA 0.137 4.477 4.340 0.000 0.000 0.205 1172 L C 2.220 179.071 176.870 -0.032 0.000 1.079 1172 L CA 1.546 56.359 54.840 -0.045 0.000 0.752 1172 L CB -0.004 42.025 42.059 -0.049 0.000 0.906 1172 L HN 0.376 nan 8.230 nan 0.000 0.436 1173 L N -1.548 119.656 121.223 -0.033 0.000 2.408 1173 L HA 0.401 4.741 4.340 0.000 0.000 0.215 1173 L C 1.519 178.380 176.870 -0.014 0.000 1.081 1173 L CA 0.299 55.126 54.840 -0.022 0.000 0.840 1173 L CB -0.746 41.298 42.059 -0.024 0.000 1.002 1173 L HN 0.460 nan 8.230 nan 0.000 0.468 1174 G N 0.783 109.575 108.800 -0.014 0.000 2.512 1174 G HA2 -0.266 3.694 3.960 0.000 0.000 0.254 1174 G HA3 -0.266 3.694 3.960 0.000 0.000 0.254 1174 G C -2.084 172.828 174.900 0.019 0.000 1.199 1174 G CA -0.063 45.038 45.100 0.002 0.000 0.941 1174 G HN 0.094 nan 8.290 nan 0.000 0.569 1175 P HA 0.139 nan 4.420 nan 0.000 0.239 1175 P C 0.855 178.170 177.300 0.026 0.000 1.184 1175 P CA 0.981 64.101 63.100 0.034 0.000 0.760 1175 P CB 0.056 31.768 31.700 0.019 0.000 0.884 1176 K N 0.656 121.063 120.400 0.013 0.000 3.192 1176 K HA 0.082 4.402 4.320 0.000 0.000 0.269 1176 K C 0.417 177.020 176.600 0.005 0.000 1.270 1176 K CA 0.148 56.439 56.287 0.006 0.000 1.249 1176 K CB -0.517 31.982 32.500 -0.002 0.000 1.528 1176 K HN 0.243 nan 8.250 nan 0.000 0.360 1177 N N -2.527 116.184 118.700 0.017 0.000 2.056 1177 N HA -0.070 4.670 4.740 0.000 0.000 0.291 1177 N C 0.950 176.486 175.510 0.044 0.000 1.096 1177 N CA 0.551 53.607 53.050 0.010 0.000 0.725 1177 N CB -0.134 38.341 38.487 -0.020 0.000 1.802 1177 N HN 0.064 nan 8.380 nan 0.000 0.682 1178 S N 0.948 116.706 115.700 0.096 0.000 4.029 1178 S HA -0.362 4.108 4.470 0.000 0.000 0.538 1178 S C 1.979 176.694 174.600 0.192 0.000 1.017 1178 S CA 4.377 62.685 58.200 0.180 0.000 3.445 1178 S CB -2.186 61.061 63.200 0.078 0.000 2.294 1178 S HN 1.304 nan 8.310 nan 0.000 0.633 1179 E N -0.471 119.794 120.200 0.108 0.000 2.277 1179 E HA -0.169 4.181 4.350 0.000 0.000 0.216 1179 E C 3.197 179.842 176.600 0.074 0.000 1.068 1179 E CA 3.289 59.738 56.400 0.081 0.000 0.866 1179 E CB -2.020 27.703 29.700 0.038 0.000 0.749 1179 E HN 1.940 nan 8.360 nan 0.000 0.465 1180 G N 0.330 109.159 108.800 0.047 0.000 2.844 1180 G HA2 -0.142 3.818 3.960 0.000 0.000 0.211 1180 G HA3 -0.142 3.818 3.960 0.000 0.000 0.211 1180 G C 1.798 176.693 174.900 -0.010 0.000 1.368 1180 G CA 1.316 46.424 45.100 0.013 0.000 0.815 1180 G HN 0.567 nan 8.290 nan 0.000 0.649 1181 L N -0.074 121.109 121.223 -0.065 0.000 2.187 1181 L HA -0.082 4.258 4.340 0.000 0.000 0.213 1181 L C 2.518 179.281 176.870 -0.178 0.000 1.100 1181 L CA 0.778 55.530 54.840 -0.145 0.000 0.765 1181 L CB -0.445 41.478 42.059 -0.226 0.000 0.904 1181 L HN 0.331 nan 8.230 nan 0.000 0.437 1182 H N -1.992 117.067 119.070 -0.017 0.000 2.555 1182 H HA 0.033 4.589 4.556 0.000 0.000 0.269 1182 H C 2.106 177.426 175.328 -0.013 0.000 0.988 1182 H CA 1.032 57.070 56.048 -0.016 0.000 1.178 1182 H CB 0.656 30.409 29.762 -0.015 0.000 1.373 1182 H HN 0.277 nan 8.280 nan 0.000 0.588 1183 S N -0.322 115.422 115.700 0.074 0.000 3.186 1183 S HA 0.265 4.735 4.470 0.000 0.000 0.253 1183 S C 0.639 175.248 174.600 0.016 0.000 1.071 1183 S CA 0.326 58.552 58.200 0.044 0.000 0.796 1183 S CB -0.167 63.057 63.200 0.040 0.000 0.818 1183 S HN 0.337 nan 8.310 nan 0.000 0.498 1184 A N 2.200 125.023 122.820 0.005 0.000 2.570 1184 A HA 0.209 4.529 4.320 0.000 0.000 0.274 1184 A C 1.425 179.005 177.584 -0.006 0.000 0.943 1184 A CA 1.155 53.189 52.037 -0.004 0.000 0.983 1184 A CB -0.673 18.317 19.000 -0.017 0.000 0.802 1184 A HN 0.929 nan 8.150 nan 0.000 0.456 1185 R N 2.082 122.581 120.500 -0.001 0.000 2.193 1185 R HA 0.077 4.417 4.340 0.000 0.000 0.229 1185 R C 0.431 176.728 176.300 -0.005 0.000 1.110 1185 R CA 2.270 58.369 56.100 -0.001 0.000 0.988 1185 R CB -1.040 29.262 30.300 0.003 0.000 0.871 1185 R HN 1.132 nan 8.270 nan 0.000 0.458 1186 D N -3.793 116.603 120.400 -0.006 0.000 2.599 1186 D HA 0.503 5.143 4.640 0.000 0.000 0.252 1186 D C -0.964 175.327 176.300 -0.015 0.000 1.232 1186 D CA -0.620 53.375 54.000 -0.009 0.000 0.819 1186 D CB 1.557 42.358 40.800 0.001 0.000 1.401 1186 D HN -0.056 nan 8.370 nan 0.000 0.429 1187 V N -0.307 119.595 119.914 -0.019 0.000 2.966 1187 V HA 0.656 4.776 4.120 0.000 0.000 0.317 1187 V C -2.042 174.046 176.094 -0.009 0.000 1.070 1187 V CA -1.628 60.657 62.300 -0.025 0.000 1.008 1187 V CB 1.226 33.023 31.823 -0.043 0.000 1.070 1187 V HN 0.677 nan 8.190 nan 0.000 0.457 1188 P HA 0.205 nan 4.420 nan 0.000 0.276 1188 P C -0.783 176.530 177.300 0.020 0.000 1.230 1188 P CA -0.064 63.043 63.100 0.010 0.000 0.776 1188 P CB 0.969 32.674 31.700 0.008 0.000 0.888 1189 V N 4.432 124.373 119.914 0.045 0.000 2.389 1189 V HA 0.094 4.214 4.120 0.000 0.000 0.264 1189 V C 0.684 176.834 176.094 0.093 0.000 1.049 1189 V CA -0.312 62.031 62.300 0.071 0.000 0.932 1189 V CB 1.016 32.914 31.823 0.124 0.000 1.011 1189 V HN 0.286 nan 8.190 nan 0.000 0.475 1190 V N 4.496 124.461 119.914 0.084 0.000 2.472 1190 V HA 0.832 4.952 4.120 0.000 0.000 0.290 1190 V C 0.374 176.561 176.094 0.156 0.000 1.037 1190 V CA -0.355 62.006 62.300 0.102 0.000 0.908 1190 V CB 1.706 33.575 31.823 0.076 0.000 0.985 1190 V HN 0.966 nan 8.190 nan 0.000 0.454 1191 A N 5.740 128.657 122.820 0.163 0.000 2.356 1191 A HA 0.823 5.143 4.320 0.000 0.000 0.310 1191 A C -0.922 176.752 177.584 0.150 0.000 1.075 1191 A CA -0.566 51.586 52.037 0.191 0.000 0.746 1191 A CB 1.018 20.121 19.000 0.171 0.000 1.221 1191 A HN 0.598 nan 8.150 nan 0.000 0.443 1192 I N 2.729 123.411 120.570 0.188 0.000 2.331 1192 I HA 0.325 4.495 4.170 0.000 0.000 0.292 1192 I C -0.717 175.527 176.117 0.212 0.000 0.998 1192 I CA -0.400 61.056 61.300 0.260 0.000 1.267 1192 I CB 0.907 39.095 38.000 0.313 0.000 1.386 1192 I HN 0.456 nan 8.210 nan 0.000 0.476 1193 L N 5.480 126.811 121.223 0.179 0.000 2.322 1193 L HA 0.686 5.026 4.340 0.000 0.000 0.281 1193 L C 0.410 177.264 176.870 -0.026 0.000 1.014 1193 L CA 0.032 54.870 54.840 -0.004 0.000 0.815 1193 L CB 1.872 43.822 42.059 -0.183 0.000 1.247 1193 L HN 0.702 nan 8.230 nan 0.000 0.421 1194 G N 1.253 109.852 108.800 -0.335 0.000 2.470 1194 G HA2 0.561 4.521 3.960 0.000 0.000 0.320 1194 G HA3 0.561 4.521 3.960 0.000 0.000 0.320 1194 G C -0.444 174.252 174.900 -0.340 0.000 1.245 1194 G CA -0.238 44.414 45.100 -0.747 0.000 0.935 1194 G HN 0.627 nan 8.290 nan 0.000 0.476 1195 S N 1.375 117.007 115.700 -0.113 0.000 2.671 1195 S HA 0.801 5.271 4.470 0.000 0.000 0.272 1195 S C 0.906 175.504 174.600 -0.004 0.000 1.174 1195 S CA -0.030 58.162 58.200 -0.013 0.000 1.004 1195 S CB 1.178 64.412 63.200 0.057 0.000 1.077 1195 S HN 0.978 nan 8.310 nan 0.000 0.553 1196 G N -1.727 107.075 108.800 0.005 0.000 2.557 1196 G HA2 0.532 4.492 3.960 0.000 0.000 0.292 1196 G HA3 0.532 4.492 3.960 0.000 0.000 0.292 1196 G C 0.512 175.438 174.900 0.044 0.000 1.237 1196 G CA -0.610 44.474 45.100 -0.028 0.000 0.978 1196 G HN 1.971 nan 8.290 nan 0.000 0.498 1197 G N -1.824 107.004 108.800 0.047 0.000 2.325 1197 G HA2 0.451 4.411 3.960 0.000 0.000 0.214 1197 G HA3 0.451 4.411 3.960 0.000 0.000 0.214 1197 G C 0.920 175.919 174.900 0.165 0.000 1.087 1197 G CA 0.517 45.691 45.100 0.123 0.000 0.811 1197 G HN 2.301 nan 8.290 nan 0.000 0.486 1198 G N 0.192 109.130 108.800 0.231 0.000 2.602 1198 G HA2 -0.214 3.746 3.960 0.000 0.000 0.317 1198 G HA3 -0.214 3.746 3.960 0.000 0.000 0.317 1198 G C 0.940 176.003 174.900 0.272 0.000 1.327 1198 G CA 0.908 46.140 45.100 0.219 0.000 0.971 1198 G HN 0.851 nan 8.290 nan 0.000 0.540 1199 F N 1.336 121.271 119.950 -0.025 0.000 2.293 1199 F HA 0.036 4.563 4.527 0.000 0.000 0.300 1199 F C 2.829 178.486 175.800 -0.237 0.000 1.086 1199 F CA 1.728 59.653 58.000 -0.124 0.000 1.375 1199 F CB -0.549 38.292 39.000 -0.265 0.000 1.045 1199 F HN 0.492 nan 8.300 nan 0.000 0.516 1200 R N 0.394 121.003 120.500 0.181 0.000 2.073 1200 R HA -0.164 4.176 4.340 0.000 0.000 0.234 1200 R C 2.339 178.542 176.300 -0.162 0.000 1.134 1200 R CA 1.545 57.740 56.100 0.158 0.000 0.952 1200 R CB -0.434 30.044 30.300 0.297 0.000 0.850 1200 R HN 0.186 nan 8.270 nan 0.000 0.433 1201 A N 1.095 123.819 122.820 -0.161 0.000 1.898 1201 A HA -0.191 4.129 4.320 0.000 0.000 0.216 1201 A C 2.235 179.478 177.584 -0.569 0.000 1.181 1201 A CA 1.515 53.274 52.037 -0.463 0.000 0.620 1201 A CB -0.576 18.330 19.000 -0.156 0.000 0.819 1201 A HN 0.546 nan 8.150 nan 0.000 0.442 1202 M N -0.313 119.130 119.600 -0.262 0.000 2.086 1202 M HA -0.130 4.350 4.480 0.000 0.000 0.261 1202 M C 1.900 178.010 176.300 -0.317 0.000 1.067 1202 M CA 2.051 57.259 55.300 -0.154 0.000 1.116 1202 M CB -0.190 32.395 32.600 -0.025 0.000 1.348 1202 M HN 0.198 nan 8.290 nan 0.000 0.407 1203 V N 0.396 120.067 119.914 -0.405 0.000 2.358 1203 V HA -0.149 3.971 4.120 0.000 0.000 0.246 1203 V C 2.625 178.397 176.094 -0.537 0.000 1.047 1203 V CA 1.939 63.958 62.300 -0.470 0.000 1.035 1203 V CB -1.572 29.928 31.823 -0.538 0.000 0.658 1203 V HN 0.735 nan 8.190 nan 0.000 0.452 1204 G N -0.767 107.656 108.800 -0.628 0.000 2.446 1204 G HA2 -0.306 3.654 3.960 0.000 0.000 0.217 1204 G HA3 -0.306 3.654 3.960 0.000 0.000 0.217 1204 G C 1.545 176.125 174.900 -0.534 0.000 1.168 1204 G CA 0.916 45.626 45.100 -0.650 0.000 0.771 1204 G HN 0.427 nan 8.290 nan 0.000 0.551 1205 F N 2.814 122.186 119.950 -0.964 0.000 2.216 1205 F HA -0.121 4.406 4.527 0.000 0.000 0.300 1205 F C 3.035 178.385 175.800 -0.751 0.000 1.085 1205 F CA 1.183 58.839 58.000 -0.574 0.000 1.326 1205 F CB -0.497 38.262 39.000 -0.401 0.000 1.027 1205 F HN 0.291 nan 8.300 nan 0.000 0.497 1206 S N -0.430 114.672 115.700 -0.996 0.000 2.370 1206 S HA -0.131 4.339 4.470 0.000 0.000 0.226 1206 S C 2.480 176.746 174.600 -0.557 0.000 1.033 1206 S CA 1.224 58.678 58.200 -1.244 0.000 1.011 1206 S CB -1.609 61.134 63.200 -0.761 0.000 0.852 1206 S HN 0.392 nan 8.310 nan 0.000 0.457 1207 G N 1.685 110.200 108.800 -0.476 0.000 2.480 1207 G HA2 -0.151 3.809 3.960 0.000 0.000 0.216 1207 G HA3 -0.151 3.809 3.960 0.000 0.000 0.216 1207 G C 1.491 176.157 174.900 -0.389 0.000 1.200 1207 G CA 1.129 45.852 45.100 -0.628 0.000 0.782 1207 G HN 0.472 nan 8.290 nan 0.000 0.554 1208 V N 1.360 121.046 119.914 -0.380 0.000 2.250 1208 V HA -0.296 3.824 4.120 0.000 0.000 0.253 1208 V C 3.019 178.833 176.094 -0.466 0.000 1.065 1208 V CA 2.244 64.253 62.300 -0.486 0.000 1.039 1208 V CB -0.436 30.916 31.823 -0.786 0.000 0.647 1208 V HN 0.304 nan 8.190 nan 0.000 0.446 1209 M N -0.605 118.661 119.600 -0.557 0.000 2.149 1209 M HA -0.203 4.277 4.480 0.000 0.000 0.261 1209 M C 2.180 178.402 176.300 -0.129 0.000 1.064 1209 M CA 1.806 56.879 55.300 -0.378 0.000 1.102 1209 M CB -1.226 31.145 32.600 -0.383 0.000 1.369 1209 M HN 0.388 nan 8.290 nan 0.000 0.408 1210 K N 0.106 120.433 120.400 -0.121 0.000 2.097 1210 K HA -0.093 4.227 4.320 0.000 0.000 0.206 1210 K C 1.970 178.647 176.600 0.128 0.000 1.049 1210 K CA 1.428 57.707 56.287 -0.013 0.000 0.933 1210 K CB 0.043 32.492 32.500 -0.085 0.000 0.717 1210 K HN 0.233 nan 8.250 nan 0.000 0.442 1211 A N 1.248 124.162 122.820 0.157 0.000 1.855 1211 A HA -0.096 4.224 4.320 0.000 0.000 0.215 1211 A C 2.084 179.708 177.584 0.068 0.000 1.191 1211 A CA 1.237 53.374 52.037 0.167 0.000 0.613 1211 A CB -0.703 18.299 19.000 0.005 0.000 0.829 1211 A HN 0.297 nan 8.150 nan 0.000 0.442 1212 L N -1.940 119.281 121.223 -0.004 0.000 2.129 1212 L HA -0.235 4.105 4.340 0.000 0.000 0.212 1212 L C 2.538 179.453 176.870 0.075 0.000 1.087 1212 L CA 1.825 56.673 54.840 0.014 0.000 0.757 1212 L CB -0.720 41.325 42.059 -0.023 0.000 0.896 1212 L HN 0.586 nan 8.230 nan 0.000 0.434 1213 Y N 1.167 121.460 120.300 -0.010 0.000 2.060 1213 Y HA -0.276 4.274 4.550 0.000 0.000 0.276 1213 Y C 2.568 178.480 175.900 0.021 0.000 1.127 1213 Y CA 1.901 60.009 58.100 0.013 0.000 1.104 1213 Y CB -0.275 38.199 38.460 0.022 0.000 0.983 1213 Y HN 0.131 nan 8.280 nan 0.000 0.483 1214 E N -0.132 120.197 120.200 0.214 0.000 2.048 1214 E HA -0.285 4.065 4.350 0.000 0.000 0.202 1214 E C 2.186 178.790 176.600 0.007 0.000 1.021 1214 E CA 2.197 58.663 56.400 0.111 0.000 0.825 1214 E CB -0.527 29.288 29.700 0.191 0.000 0.756 1214 E HN 0.582 nan 8.360 nan 0.000 0.454 1215 S N -0.522 115.192 115.700 0.023 0.000 2.469 1215 S HA -0.039 4.431 4.470 0.000 0.000 0.238 1215 S C 1.770 176.347 174.600 -0.039 0.000 0.998 1215 S CA 0.773 58.969 58.200 -0.006 0.000 0.957 1215 S CB -0.119 63.079 63.200 -0.003 0.000 0.764 1215 S HN 0.557 nan 8.310 nan 0.000 0.514 1216 G N 0.893 109.648 108.800 -0.074 0.000 2.175 1216 G HA2 -0.248 3.712 3.960 0.000 0.000 0.244 1216 G HA3 -0.248 3.712 3.960 0.000 0.000 0.244 1216 G C 0.635 175.498 174.900 -0.062 0.000 0.982 1216 G CA 0.230 45.272 45.100 -0.097 0.000 0.641 1216 G HN 0.450 nan 8.290 nan 0.000 0.527 1217 I N 0.670 121.225 120.570 -0.025 0.000 2.226 1217 I HA -0.052 4.118 4.170 0.000 0.000 0.245 1217 I C 2.879 179.009 176.117 0.022 0.000 1.100 1217 I CA 1.295 62.598 61.300 0.005 0.000 1.374 1217 I CB -1.181 36.838 38.000 0.032 0.000 1.057 1217 I HN 0.338 nan 8.210 nan 0.000 0.413 1218 L N 0.511 121.753 121.223 0.031 0.000 2.129 1218 L HA -0.259 4.081 4.340 0.000 0.000 0.212 1218 L C 2.017 178.929 176.870 0.070 0.000 1.087 1218 L CA 1.484 56.367 54.840 0.073 0.000 0.757 1218 L CB -0.463 41.665 42.059 0.114 0.000 0.896 1218 L HN 0.332 nan 8.230 nan 0.000 0.434 1219 D N -1.091 119.322 120.400 0.021 0.000 2.350 1219 D HA -0.133 4.507 4.640 0.000 0.000 0.216 1219 D C 1.852 178.144 176.300 -0.013 0.000 0.968 1219 D CA 1.031 55.059 54.000 0.048 0.000 0.894 1219 D CB 0.180 40.955 40.800 -0.043 0.000 0.909 1219 D HN 0.488 nan 8.370 nan 0.000 0.520 1220 C N 0.738 120.030 119.300 -0.013 0.000 2.735 1220 C HA 0.382 4.842 4.460 0.000 0.000 0.271 1220 C C 1.342 176.343 174.990 0.017 0.000 1.281 1220 C CA -0.734 58.269 59.018 -0.025 0.000 1.719 1220 C CB -0.523 27.201 27.740 -0.026 0.000 2.024 1220 C HN 0.202 nan 8.230 nan 0.000 0.566 1221 A N 0.744 123.598 122.820 0.057 0.000 2.340 1221 A HA 0.484 4.804 4.320 0.000 0.000 0.268 1221 A C 1.114 178.734 177.584 0.060 0.000 1.100 1221 A CA 0.247 52.330 52.037 0.077 0.000 0.803 1221 A CB 0.288 19.359 19.000 0.119 0.000 1.043 1221 A HN 0.359 nan 8.150 nan 0.000 0.488 1222 T N 0.439 114.990 114.554 -0.004 0.000 3.010 1222 T HA 0.189 4.539 4.350 0.000 0.000 0.252 1222 T C -0.342 174.187 174.700 -0.286 0.000 1.047 1222 T CA 1.330 63.320 62.100 -0.183 0.000 1.140 1222 T CB -0.211 68.398 68.868 -0.431 0.000 0.885 1222 T HN 0.578 nan 8.240 nan 0.000 0.464 1223 Y N -0.289 120.095 120.300 0.140 0.000 2.545 1223 Y HA 0.652 5.202 4.550 0.000 0.000 0.348 1223 Y C -0.718 175.213 175.900 0.051 0.000 1.002 1223 Y CA -1.346 56.792 58.100 0.063 0.000 1.039 1223 Y CB 1.852 40.318 38.460 0.010 0.000 1.271 1223 Y HN -0.311 nan 8.280 nan 0.000 0.467 1224 V N 2.216 122.234 119.914 0.175 0.000 2.482 1224 V HA 0.799 4.919 4.120 0.000 0.000 0.295 1224 V C -0.751 175.298 176.094 -0.075 0.000 1.026 1224 V CA -0.664 61.702 62.300 0.110 0.000 0.856 1224 V CB 1.332 33.242 31.823 0.144 0.000 1.001 1224 V HN 0.854 nan 8.190 nan 0.000 0.424 1225 A N 3.657 126.427 122.820 -0.084 0.000 2.355 1225 A HA 1.014 5.334 4.320 0.000 0.000 0.317 1225 A C 0.041 177.473 177.584 -0.253 0.000 1.094 1225 A CA -0.037 51.852 52.037 -0.247 0.000 0.764 1225 A CB 1.882 20.751 19.000 -0.219 0.000 1.230 1225 A HN 1.134 nan 8.150 nan 0.000 0.448 1226 G N -0.114 108.462 108.800 -0.374 0.000 2.725 1226 G HA2 0.779 4.739 3.960 0.000 0.000 0.288 1226 G HA3 0.779 4.739 3.960 0.000 0.000 0.288 1226 G C -1.384 173.342 174.900 -0.291 0.000 1.399 1226 G CA -0.244 44.664 45.100 -0.320 0.000 0.859 1226 G HN 1.839 nan 8.290 nan 0.000 0.479 1227 L N -1.284 119.806 121.223 -0.221 0.000 2.465 1227 L HA 0.889 5.229 4.340 0.000 0.000 0.257 1227 L C 0.749 177.520 176.870 -0.166 0.000 0.988 1227 L CA 0.198 54.936 54.840 -0.170 0.000 0.827 1227 L CB 1.172 43.181 42.059 -0.083 0.000 1.397 1227 L HN 1.487 nan 8.230 nan 0.000 0.410 1228 S N 2.112 117.736 115.700 -0.126 0.000 4.137 1228 S HA -0.298 4.172 4.470 0.000 0.000 0.541 1228 S C 1.456 175.692 174.600 -0.607 0.000 1.855 1228 S CA 3.035 61.103 58.200 -0.221 0.000 4.197 1228 S CB -1.809 61.319 63.200 -0.119 0.000 0.627 1228 S HN 2.217 nan 8.310 nan 0.000 0.490 1229 G N 0.170 108.603 108.800 -0.611 0.000 2.469 1229 G HA2 -0.141 3.819 3.960 0.000 0.000 0.220 1229 G HA3 -0.141 3.819 3.960 0.000 0.000 0.220 1229 G C 1.635 176.367 174.900 -0.280 0.000 1.136 1229 G CA 1.584 46.303 45.100 -0.634 0.000 0.759 1229 G HN 0.778 nan 8.290 nan 0.000 0.562 1230 S N -0.353 115.222 115.700 -0.208 0.000 2.423 1230 S HA -0.069 4.401 4.470 0.000 0.000 0.231 1230 S C 2.445 177.101 174.600 0.093 0.000 1.014 1230 S CA 1.373 59.519 58.200 -0.091 0.000 0.965 1230 S CB -0.293 62.646 63.200 -0.435 0.000 0.785 1230 S HN 0.433 nan 8.310 nan 0.000 0.495 1231 T N 0.961 115.498 114.554 -0.028 0.000 2.720 1231 T HA -0.115 4.235 4.350 0.000 0.000 0.268 1231 T C 1.288 176.229 174.700 0.401 0.000 1.037 1231 T CA 1.219 63.401 62.100 0.137 0.000 1.144 1231 T CB -0.256 68.660 68.868 0.080 0.000 0.864 1231 T HN 0.515 nan 8.240 nan 0.000 0.444 1232 W N 0.398 121.849 121.300 0.252 0.000 2.363 1232 W HA -0.012 4.648 4.660 0.000 0.000 0.296 1232 W C 2.090 178.692 176.519 0.138 0.000 1.212 1232 W CA -0.040 57.419 57.345 0.189 0.000 1.260 1232 W CB -1.541 28.012 29.460 0.155 0.000 1.131 1232 W HN 0.379 nan 8.180 nan 0.000 0.530 1233 Y N 0.380 120.847 120.300 0.278 0.000 2.184 1233 Y HA -0.194 4.356 4.550 0.000 0.000 0.290 1233 Y C 2.562 178.553 175.900 0.152 0.000 1.129 1233 Y CA 1.995 60.191 58.100 0.160 0.000 1.144 1233 Y CB -0.731 37.812 38.460 0.138 0.000 0.995 1233 Y HN -0.196 nan 8.280 nan 0.000 0.513 1234 M N -0.755 118.921 119.600 0.127 0.000 2.080 1234 M HA -0.274 4.206 4.480 0.000 0.000 0.260 1234 M C 2.293 178.665 176.300 0.121 0.000 1.068 1234 M CA 2.073 57.424 55.300 0.085 0.000 1.109 1234 M CB -0.458 32.198 32.600 0.092 0.000 1.342 1234 M HN 0.126 nan 8.290 nan 0.000 0.405 1235 S N -0.042 115.801 115.700 0.238 0.000 2.353 1235 S HA -0.155 4.315 4.470 0.000 0.000 0.222 1235 S C 1.955 176.575 174.600 0.035 0.000 1.035 1235 S CA 1.998 60.313 58.200 0.191 0.000 1.025 1235 S CB -0.684 62.658 63.200 0.236 0.000 0.902 1235 S HN 0.503 nan 8.310 nan 0.000 0.440 1236 T N 2.382 116.902 114.554 -0.055 0.000 2.759 1236 T HA -0.057 4.293 4.350 0.000 0.000 0.269 1236 T C 1.760 176.310 174.700 -0.250 0.000 1.042 1236 T CA 1.183 63.199 62.100 -0.139 0.000 1.140 1236 T CB -0.376 68.403 68.868 -0.150 0.000 0.864 1236 T HN 0.178 nan 8.240 nan 0.000 0.455 1237 L N -0.252 120.678 121.223 -0.488 0.000 2.007 1237 L HA 0.095 4.436 4.340 0.000 0.000 0.205 1237 L C 2.024 178.464 176.870 -0.718 0.000 1.073 1237 L CA 1.612 56.016 54.840 -0.728 0.000 0.744 1237 L CB -0.685 40.749 42.059 -1.042 0.000 0.898 1237 L HN 0.173 nan 8.230 nan 0.000 0.435 1238 Y N -0.421 119.571 120.300 -0.514 0.000 2.497 1238 Y HA -0.134 4.416 4.550 0.000 0.000 0.292 1238 Y C 2.658 178.557 175.900 -0.002 0.000 1.137 1238 Y CA 1.226 59.207 58.100 -0.199 0.000 1.285 1238 Y CB -0.408 38.048 38.460 -0.006 0.000 0.991 1238 Y HN 0.469 nan 8.280 nan 0.000 0.556 1239 S N -1.978 113.773 115.700 0.084 0.000 2.535 1239 S HA -0.019 4.451 4.470 0.000 0.000 0.214 1239 S C 0.604 175.234 174.600 0.050 0.000 0.980 1239 S CA -0.298 57.946 58.200 0.073 0.000 0.907 1239 S CB -0.419 62.797 63.200 0.027 0.000 0.790 1239 S HN 0.326 nan 8.310 nan 0.000 0.510 1240 H N 4.422 123.459 119.070 -0.055 0.000 2.886 1240 H HA 0.186 4.742 4.556 0.000 0.000 0.329 1240 H C -1.523 173.821 175.328 0.028 0.000 1.044 1240 H CA -1.107 54.915 56.048 -0.045 0.000 1.456 1240 H CB 1.442 31.149 29.762 -0.092 0.000 1.464 1240 H HN 0.129 nan 8.280 nan 0.000 0.573 1241 P HA -0.147 nan 4.420 nan 0.000 0.218 1241 P C 0.353 177.782 177.300 0.216 0.000 1.148 1241 P CA 1.135 64.301 63.100 0.110 0.000 0.822 1241 P CB 0.484 32.175 31.700 -0.016 0.000 0.784 1242 D N -1.423 119.230 120.400 0.422 0.000 2.319 1242 D HA 0.063 4.703 4.640 0.000 0.000 0.230 1242 D C 0.174 176.541 176.300 0.111 0.000 1.094 1242 D CA -0.007 54.111 54.000 0.196 0.000 0.856 1242 D CB -0.427 40.456 40.800 0.138 0.000 0.915 1242 D HN 0.176 nan 8.370 nan 0.000 0.517 1243 F N 2.412 122.351 119.950 -0.018 0.000 2.404 1243 F HA 0.279 4.806 4.527 0.000 0.000 0.339 1243 F C -1.616 174.138 175.800 -0.077 0.000 1.105 1243 F CA -2.360 55.570 58.000 -0.116 0.000 1.087 1243 F CB 1.754 40.653 39.000 -0.168 0.000 1.143 1243 F HN -0.243 nan 8.300 nan 0.000 0.491 1244 P HA 0.055 nan 4.420 nan 0.000 0.245 1244 P C 0.987 178.054 177.300 -0.387 0.000 1.203 1244 P CA 1.215 63.594 63.100 -1.201 0.000 0.792 1244 P CB -0.097 30.876 31.700 -1.212 0.000 0.997 1245 E N 1.332 121.404 120.200 -0.212 0.000 2.164 1245 E HA -0.207 4.143 4.350 0.000 0.000 0.206 1245 E C 1.414 177.987 176.600 -0.045 0.000 1.032 1245 E CA 2.151 58.500 56.400 -0.084 0.000 0.832 1245 E CB -1.564 28.104 29.700 -0.052 0.000 0.742 1245 E HN 0.548 nan 8.360 nan 0.000 0.460 1246 K N 0.795 121.152 120.400 -0.072 0.000 2.213 1246 K HA 0.645 4.966 4.320 0.000 0.000 0.270 1246 K C 0.529 177.043 176.600 -0.143 0.000 1.002 1246 K CA -0.117 56.120 56.287 -0.084 0.000 0.868 1246 K CB 0.976 33.414 32.500 -0.103 0.000 1.093 1246 K HN 0.705 nan 8.250 nan 0.000 0.454 1247 G N 1.756 110.391 108.800 -0.275 0.000 2.535 1247 G HA2 0.419 4.379 3.960 0.000 0.000 0.282 1247 G HA3 0.419 4.379 3.960 0.000 0.000 0.282 1247 G C -1.496 173.156 174.900 -0.413 0.000 1.350 1247 G CA -0.837 43.849 45.100 -0.689 0.000 1.039 1247 G HN 0.448 nan 8.290 nan 0.000 0.509 1248 P HA -0.095 nan 4.420 nan 0.000 0.219 1248 P C 1.541 178.763 177.300 -0.131 0.000 1.146 1248 P CA 1.368 64.351 63.100 -0.194 0.000 0.808 1248 P CB 0.197 31.824 31.700 -0.122 0.000 0.779 1249 E N 0.106 120.218 120.200 -0.147 0.000 2.048 1249 E HA -0.308 4.042 4.350 0.000 0.000 0.202 1249 E C 1.724 178.271 176.600 -0.089 0.000 1.021 1249 E CA 1.710 58.059 56.400 -0.084 0.000 0.825 1249 E CB -0.217 29.448 29.700 -0.059 0.000 0.756 1249 E HN 0.110 nan 8.360 nan 0.000 0.454 1250 E N 0.446 120.580 120.200 -0.111 0.000 2.017 1250 E HA -0.130 4.220 4.350 0.000 0.000 0.193 1250 E C 2.121 178.651 176.600 -0.117 0.000 0.997 1250 E CA 1.325 57.662 56.400 -0.105 0.000 0.804 1250 E CB -0.241 29.389 29.700 -0.116 0.000 0.757 1250 E HN 0.388 nan 8.360 nan 0.000 0.448 1251 I N 1.373 121.833 120.570 -0.182 0.000 2.194 1251 I HA -0.338 3.832 4.170 0.000 0.000 0.246 1251 I C 1.621 177.707 176.117 -0.051 0.000 1.093 1251 I CA 1.090 62.293 61.300 -0.161 0.000 1.355 1251 I CB -0.417 37.420 38.000 -0.271 0.000 1.046 1251 I HN 0.140 nan 8.210 nan 0.000 0.413 1252 N N 0.934 119.618 118.700 -0.026 0.000 2.309 1252 N HA -0.158 4.582 4.740 0.000 0.000 0.182 1252 N C 1.986 177.437 175.510 -0.099 0.000 1.018 1252 N CA 1.610 54.672 53.050 0.019 0.000 0.876 1252 N CB -0.488 38.013 38.487 0.024 0.000 0.972 1252 N HN 0.550 nan 8.380 nan 0.000 0.434 1253 E N 1.736 121.864 120.200 -0.119 0.000 2.077 1253 E HA -0.171 4.179 4.350 0.000 0.000 0.193 1253 E C 1.818 178.319 176.600 -0.165 0.000 0.989 1253 E CA 1.321 57.629 56.400 -0.153 0.000 0.800 1253 E CB -0.784 28.858 29.700 -0.097 0.000 0.746 1253 E HN 0.568 nan 8.360 nan 0.000 0.452 1254 E N -0.166 119.976 120.200 -0.097 0.000 2.051 1254 E HA -0.118 4.232 4.350 0.000 0.000 0.192 1254 E C 2.245 178.785 176.600 -0.099 0.000 0.991 1254 E CA 0.968 57.330 56.400 -0.063 0.000 0.799 1254 E CB -0.145 29.557 29.700 0.003 0.000 0.748 1254 E HN 0.384 nan 8.360 nan 0.000 0.449 1255 L N 1.222 122.383 121.223 -0.103 0.000 1.989 1255 L HA -0.229 4.111 4.340 0.000 0.000 0.211 1255 L C 2.356 179.024 176.870 -0.336 0.000 1.071 1255 L CA 1.803 56.575 54.840 -0.113 0.000 0.749 1255 L CB -0.753 41.329 42.059 0.039 0.000 0.890 1255 L HN 0.320 nan 8.230 nan 0.000 0.431 1256 M N 0.175 119.338 119.600 -0.730 0.000 2.073 1256 M HA -0.313 4.167 4.480 0.000 0.000 0.258 1256 M C 2.461 178.461 176.300 -0.499 0.000 1.070 1256 M CA 3.287 57.859 55.300 -1.213 0.000 1.103 1256 M CB -0.286 31.540 32.600 -1.289 0.000 1.321 1256 M HN 0.269 nan 8.290 nan 0.000 0.405 1257 K N 0.396 120.619 120.400 -0.294 0.000 2.026 1257 K HA -0.201 4.119 4.320 0.000 0.000 0.208 1257 K C 1.372 177.923 176.600 -0.082 0.000 1.048 1257 K CA 2.334 58.535 56.287 -0.143 0.000 0.929 1257 K CB -2.023 30.422 32.500 -0.090 0.000 0.713 1257 K HN 0.793 nan 8.250 nan 0.000 0.439 1258 N N 0.080 118.745 118.700 -0.059 0.000 2.272 1258 N HA -0.091 4.649 4.740 0.000 0.000 0.185 1258 N C 1.338 176.871 175.510 0.038 0.000 1.014 1258 N CA 1.132 54.185 53.050 0.006 0.000 0.870 1258 N CB 0.051 38.572 38.487 0.058 0.000 0.975 1258 N HN 0.230 nan 8.380 nan 0.000 0.433 1259 V N 0.194 120.123 119.914 0.024 0.000 3.647 1259 V HA -0.014 4.106 4.120 0.000 0.000 0.279 1259 V C 1.986 178.200 176.094 0.199 0.000 1.314 1259 V CA 0.632 63.037 62.300 0.175 0.000 1.125 1259 V CB 0.214 32.139 31.823 0.169 0.000 0.907 1259 V HN 0.351 nan 8.190 nan 0.000 0.434 1260 S N 0.042 115.792 115.700 0.084 0.000 2.368 1260 S HA -0.111 4.359 4.470 0.000 0.000 0.224 1260 S C 1.128 175.783 174.600 0.092 0.000 1.029 1260 S CA 1.168 59.417 58.200 0.083 0.000 0.988 1260 S CB -0.775 62.436 63.200 0.017 0.000 0.838 1260 S HN 0.747 nan 8.310 nan 0.000 0.462 1261 H N 0.767 119.880 119.070 0.072 0.000 2.544 1261 H HA 0.581 5.137 4.556 0.000 0.000 0.365 1261 H C -0.014 175.369 175.328 0.091 0.000 1.268 1261 H CA -0.338 55.744 56.048 0.056 0.000 1.400 1261 H CB -0.069 29.705 29.762 0.019 0.000 1.538 1261 H HN 0.587 nan 8.280 nan 0.000 0.597 1262 N N 2.034 120.773 118.700 0.064 0.000 2.415 1262 N HA 0.122 4.862 4.740 0.000 0.000 0.246 1262 N C -1.738 173.797 175.510 0.041 0.000 1.078 1262 N CA -1.734 51.359 53.050 0.072 0.000 0.942 1262 N CB 0.939 39.453 38.487 0.045 0.000 1.140 1262 N HN 0.400 nan 8.380 nan 0.000 0.501 1263 P HA -0.236 nan 4.420 nan 0.000 0.216 1263 P C 1.309 178.590 177.300 -0.031 0.000 1.157 1263 P CA 0.905 64.002 63.100 -0.005 0.000 0.880 1263 P CB 0.238 31.907 31.700 -0.053 0.000 0.791 1264 L N -1.730 119.469 121.223 -0.039 0.000 2.189 1264 L HA -0.166 4.174 4.340 0.000 0.000 0.214 1264 L C 2.786 179.642 176.870 -0.023 0.000 1.097 1264 L CA 2.035 56.859 54.840 -0.027 0.000 0.764 1264 L CB -2.295 39.730 42.059 -0.057 0.000 0.900 1264 L HN -0.018 nan 8.230 nan 0.000 0.436 1265 L N -1.346 119.861 121.223 -0.026 0.000 2.349 1265 L HA -0.115 4.225 4.340 0.000 0.000 0.220 1265 L C 2.556 179.398 176.870 -0.046 0.000 1.130 1265 L CA 1.554 56.373 54.840 -0.033 0.000 0.791 1265 L CB -1.415 40.630 42.059 -0.024 0.000 0.918 1265 L HN 0.257 nan 8.230 nan 0.000 0.444 1266 L N -0.873 120.323 121.223 -0.044 0.000 2.156 1266 L HA -0.021 4.319 4.340 0.000 0.000 0.208 1266 L C 1.277 178.082 176.870 -0.108 0.000 1.095 1266 L CA 0.212 55.010 54.840 -0.070 0.000 0.770 1266 L CB -0.285 41.744 42.059 -0.049 0.000 0.914 1266 L HN 0.432 nan 8.230 nan 0.000 0.439 1267 L N 0.989 122.174 121.223 -0.063 0.000 2.505 1267 L HA 0.005 4.345 4.340 0.000 0.000 0.275 1267 L C 0.382 177.198 176.870 -0.090 0.000 1.264 1267 L CA 0.149 54.948 54.840 -0.068 0.000 1.148 1267 L CB -0.618 41.473 42.059 0.053 0.000 1.377 1267 L HN 0.050 nan 8.230 nan 0.000 0.442 1268 T N 2.040 116.512 114.554 -0.136 0.000 2.940 1268 T HA 0.351 4.701 4.350 0.000 0.000 0.288 1268 T C -1.661 172.968 174.700 -0.118 0.000 1.033 1268 T CA -1.782 60.252 62.100 -0.111 0.000 1.033 1268 T CB 2.016 70.819 68.868 -0.107 0.000 1.079 1268 T HN 0.121 nan 8.240 nan 0.000 0.496 1269 P HA -0.113 nan 4.420 nan 0.000 0.215 1269 P C 1.431 178.680 177.300 -0.085 0.000 1.153 1269 P CA 0.961 64.020 63.100 -0.068 0.000 0.853 1269 P CB 0.201 31.878 31.700 -0.038 0.000 0.788 1270 Q N -0.208 119.539 119.800 -0.089 0.000 2.119 1270 Q HA -0.216 4.124 4.340 0.000 0.000 0.201 1270 Q C 2.096 178.011 176.000 -0.143 0.000 0.972 1270 Q CA 1.538 57.286 55.803 -0.091 0.000 0.847 1270 Q CB -0.189 28.505 28.738 -0.074 0.000 0.903 1270 Q HN -0.055 nan 8.270 nan 0.000 0.433 1271 K N 0.014 120.285 120.400 -0.216 0.000 2.025 1271 K HA -0.074 4.246 4.320 0.000 0.000 0.207 1271 K C 1.906 178.163 176.600 -0.572 0.000 1.049 1271 K CA 1.371 57.421 56.287 -0.396 0.000 0.933 1271 K CB -0.551 31.679 32.500 -0.450 0.000 0.714 1271 K HN 0.093 nan 8.250 nan 0.000 0.438 1272 V N 1.201 120.867 119.914 -0.412 0.000 2.392 1272 V HA -0.247 3.873 4.120 0.000 0.000 0.249 1272 V C 2.403 178.429 176.094 -0.114 0.000 1.059 1272 V CA 2.102 64.234 62.300 -0.280 0.000 1.051 1272 V CB -0.466 31.287 31.823 -0.117 0.000 0.658 1272 V HN 0.393 nan 8.190 nan 0.000 0.455 1273 K N -0.088 120.254 120.400 -0.097 0.000 2.057 1273 K HA -0.158 4.162 4.320 0.000 0.000 0.206 1273 K C 2.423 179.029 176.600 0.009 0.000 1.050 1273 K CA 1.338 57.609 56.287 -0.027 0.000 0.935 1273 K CB -0.118 32.361 32.500 -0.035 0.000 0.715 1273 K HN 0.338 nan 8.250 nan 0.000 0.439 1274 R N -0.706 119.780 120.500 -0.024 0.000 2.081 1274 R HA -0.155 4.185 4.340 0.000 0.000 0.235 1274 R C 2.313 178.710 176.300 0.161 0.000 1.131 1274 R CA 1.597 57.723 56.100 0.044 0.000 0.960 1274 R CB -0.415 29.896 30.300 0.019 0.000 0.856 1274 R HN 0.252 nan 8.270 nan 0.000 0.436 1275 Y N 0.479 120.755 120.300 -0.039 0.000 2.128 1275 Y HA -0.204 4.346 4.550 0.000 0.000 0.284 1275 Y C 2.455 178.340 175.900 -0.025 0.000 1.154 1275 Y CA 0.561 58.625 58.100 -0.060 0.000 1.149 1275 Y CB -0.950 37.452 38.460 -0.097 0.000 0.976 1275 Y HN -0.165 nan 8.280 nan 0.000 0.505 1276 V N 0.152 120.174 119.914 0.180 0.000 2.343 1276 V HA -0.267 3.853 4.120 0.000 0.000 0.247 1276 V C 2.612 178.848 176.094 0.237 0.000 1.051 1276 V CA 2.298 64.689 62.300 0.153 0.000 1.036 1276 V CB -1.333 30.572 31.823 0.136 0.000 0.654 1276 V HN 0.517 nan 8.190 nan 0.000 0.451 1277 E N -0.457 119.858 120.200 0.191 0.000 2.038 1277 E HA -0.321 4.029 4.350 0.000 0.000 0.195 1277 E C 2.436 179.144 176.600 0.179 0.000 1.000 1277 E CA 1.939 58.451 56.400 0.186 0.000 0.803 1277 E CB -1.157 28.599 29.700 0.092 0.000 0.750 1277 E HN 0.568 nan 8.360 nan 0.000 0.448 1278 S N -0.297 115.475 115.700 0.120 0.000 2.370 1278 S HA -0.085 4.385 4.470 0.000 0.000 0.226 1278 S C 2.117 176.747 174.600 0.051 0.000 1.033 1278 S CA 1.380 59.626 58.200 0.077 0.000 1.011 1278 S CB -0.382 62.848 63.200 0.050 0.000 0.852 1278 S HN 0.506 nan 8.310 nan 0.000 0.457 1279 L N -0.831 120.409 121.223 0.029 0.000 2.362 1279 L HA -0.014 4.326 4.340 0.000 0.000 0.219 1279 L C 2.048 178.851 176.870 -0.111 0.000 1.134 1279 L CA 0.659 55.460 54.840 -0.066 0.000 0.807 1279 L CB -0.387 41.612 42.059 -0.100 0.000 0.927 1279 L HN 0.446 nan 8.230 nan 0.000 0.447 1280 W N 0.747 122.031 121.300 -0.026 0.000 2.425 1280 W HA -0.172 4.488 4.660 0.000 0.000 0.277 1280 W C 2.654 179.150 176.519 -0.039 0.000 1.231 1280 W CA 1.146 58.474 57.345 -0.028 0.000 1.248 1280 W CB 0.075 29.522 29.460 -0.022 0.000 1.117 1280 W HN 0.050 nan 8.180 nan 0.000 0.568 1281 K N 1.131 121.619 120.400 0.147 0.000 2.103 1281 K HA -0.274 4.046 4.320 0.000 0.000 0.207 1281 K C 2.036 178.632 176.600 -0.006 0.000 1.048 1281 K CA 1.781 58.113 56.287 0.075 0.000 0.930 1281 K CB -0.250 32.273 32.500 0.038 0.000 0.716 1281 K HN 0.085 nan 8.250 nan 0.000 0.444 1282 K N 0.884 121.230 120.400 -0.089 0.000 2.076 1282 K HA -0.159 4.161 4.320 0.000 0.000 0.204 1282 K C 2.155 178.610 176.600 -0.241 0.000 1.051 1282 K CA 1.397 57.566 56.287 -0.198 0.000 0.949 1282 K CB -0.017 32.324 32.500 -0.265 0.000 0.726 1282 K HN 0.008 nan 8.250 nan 0.000 0.443 1283 K N 0.126 120.363 120.400 -0.272 0.000 2.097 1283 K HA -0.063 4.257 4.320 0.000 0.000 0.205 1283 K C 2.064 178.587 176.600 -0.129 0.000 1.050 1283 K CA 1.477 57.566 56.287 -0.330 0.000 0.938 1283 K CB -0.126 31.944 32.500 -0.716 0.000 0.718 1283 K HN -0.007 nan 8.250 nan 0.000 0.442 1284 S N 0.079 115.802 115.700 0.039 0.000 2.442 1284 S HA -0.103 4.367 4.470 0.000 0.000 0.236 1284 S C 1.717 176.362 174.600 0.075 0.000 1.007 1284 S CA 1.414 59.706 58.200 0.154 0.000 0.965 1284 S CB -0.249 63.081 63.200 0.215 0.000 0.773 1284 S HN 0.612 nan 8.310 nan 0.000 0.504 1285 S N -0.497 115.207 115.700 0.006 0.000 2.496 1285 S HA 0.302 4.772 4.470 0.000 0.000 0.224 1285 S C 1.497 176.145 174.600 0.081 0.000 0.996 1285 S CA 1.043 59.273 58.200 0.050 0.000 0.927 1285 S CB 0.068 63.268 63.200 0.000 0.000 0.774 1285 S HN 0.843 nan 8.310 nan 0.000 0.524 1286 G N -0.001 108.772 108.800 -0.044 0.000 2.211 1286 G HA2 -0.177 3.783 3.960 0.000 0.000 0.201 1286 G HA3 -0.177 3.783 3.960 0.000 0.000 0.201 1286 G C -0.183 174.659 174.900 -0.097 0.000 0.997 1286 G CA -0.218 44.902 45.100 0.034 0.000 0.652 1286 G HN 0.559 nan 8.290 nan 0.000 0.500 1287 Q N 1.011 120.546 119.800 -0.441 0.000 2.327 1287 Q HA 0.434 4.774 4.340 0.000 0.000 0.254 1287 Q C -2.386 173.365 176.000 -0.416 0.000 0.952 1287 Q CA -1.524 53.939 55.803 -0.567 0.000 0.884 1287 Q CB 1.109 29.412 28.738 -0.725 0.000 1.224 1287 Q HN 0.186 nan 8.270 nan 0.000 0.422 1288 P HA 0.078 nan 4.420 nan 0.000 0.275 1288 P C -1.204 175.919 177.300 -0.294 0.000 1.227 1288 P CA -0.105 62.818 63.100 -0.295 0.000 0.781 1288 P CB 0.769 32.312 31.700 -0.262 0.000 0.906 1289 V N 2.555 122.328 119.914 -0.236 0.000 2.604 1289 V HA 0.646 4.766 4.120 0.000 0.000 0.305 1289 V C 0.353 176.261 176.094 -0.310 0.000 1.043 1289 V CA -0.304 61.859 62.300 -0.229 0.000 0.888 1289 V CB 1.935 33.653 31.823 -0.174 0.000 0.995 1289 V HN 0.763 nan 8.190 nan 0.000 0.429 1290 T N 0.343 114.645 114.554 -0.421 0.000 2.838 1290 T HA 0.476 4.826 4.350 0.000 0.000 0.292 1290 T C 0.542 174.809 174.700 -0.722 0.000 1.113 1290 T CA -0.448 61.150 62.100 -0.836 0.000 1.008 1290 T CB 1.319 69.963 68.868 -0.372 0.000 1.259 1290 T HN 0.259 nan 8.240 nan 0.000 0.520 1291 F N 1.074 120.537 119.950 -0.812 0.000 2.250 1291 F HA -0.026 4.501 4.527 0.000 0.000 0.301 1291 F C 2.465 178.237 175.800 -0.047 0.000 1.077 1291 F CA 1.928 59.822 58.000 -0.178 0.000 1.348 1291 F CB -0.710 38.277 39.000 -0.023 0.000 1.040 1291 F HN 0.708 nan 8.300 nan 0.000 0.509 1292 T N -0.164 114.405 114.554 0.025 0.000 2.803 1292 T HA -0.211 4.139 4.350 0.000 0.000 0.269 1292 T C 1.599 176.325 174.700 0.044 0.000 1.052 1292 T CA 1.652 63.810 62.100 0.096 0.000 1.136 1292 T CB -0.366 68.564 68.868 0.105 0.000 0.864 1292 T HN 0.381 nan 8.240 nan 0.000 0.467 1293 D N 0.755 121.179 120.400 0.040 0.000 2.144 1293 D HA -0.039 4.601 4.640 0.000 0.000 0.199 1293 D C 2.055 178.259 176.300 -0.160 0.000 0.984 1293 D CA 0.965 55.004 54.000 0.065 0.000 0.834 1293 D CB -0.054 40.723 40.800 -0.039 0.000 0.955 1293 D HN 0.401 nan 8.370 nan 0.000 0.465 1294 I N 0.305 120.681 120.570 -0.322 0.000 2.233 1294 I HA -0.216 3.954 4.170 0.000 0.000 0.243 1294 I C 2.356 178.152 176.117 -0.534 0.000 1.093 1294 I CA 0.490 61.503 61.300 -0.480 0.000 1.380 1294 I CB -0.255 37.362 38.000 -0.639 0.000 1.067 1294 I HN -0.099 nan 8.210 nan 0.000 0.413 1295 F N 2.209 121.735 119.950 -0.706 0.000 2.126 1295 F HA -0.125 4.402 4.527 0.000 0.000 0.299 1295 F C 2.262 177.845 175.800 -0.361 0.000 1.096 1295 F CA 1.540 59.235 58.000 -0.509 0.000 1.255 1295 F CB -0.929 37.886 39.000 -0.308 0.000 0.997 1295 F HN -0.018 nan 8.300 nan 0.000 0.479 1296 G N 0.351 108.877 108.800 -0.456 0.000 2.440 1296 G HA2 -0.271 3.689 3.960 0.000 0.000 0.218 1296 G HA3 -0.271 3.689 3.960 0.000 0.000 0.218 1296 G C 1.752 176.308 174.900 -0.573 0.000 1.154 1296 G CA 0.936 45.754 45.100 -0.470 0.000 0.767 1296 G HN 0.400 nan 8.290 nan 0.000 0.552 1297 M N -0.454 118.739 119.600 -0.678 0.000 2.175 1297 M HA 0.017 4.497 4.480 0.000 0.000 0.264 1297 M C 2.475 178.298 176.300 -0.795 0.000 1.063 1297 M CA 0.893 55.584 55.300 -1.016 0.000 1.119 1297 M CB -0.247 31.585 32.600 -1.280 0.000 1.377 1297 M HN 0.305 nan 8.290 nan 0.000 0.415 1298 L N 0.738 121.582 121.223 -0.632 0.000 2.046 1298 L HA -0.202 4.138 4.340 0.000 0.000 0.208 1298 L C 2.098 178.713 176.870 -0.426 0.000 1.077 1298 L CA 1.643 56.278 54.840 -0.341 0.000 0.747 1298 L CB -0.527 41.390 42.059 -0.236 0.000 0.896 1298 L HN 0.179 nan 8.230 nan 0.000 0.432 1299 I N -0.094 120.067 120.570 -0.681 0.000 2.226 1299 I HA -0.178 3.992 4.170 0.000 0.000 0.245 1299 I C 2.562 178.431 176.117 -0.414 0.000 1.100 1299 I CA 1.448 62.343 61.300 -0.676 0.000 1.374 1299 I CB -2.197 35.165 38.000 -1.063 0.000 1.057 1299 I HN 0.407 nan 8.210 nan 0.000 0.413 1300 G N 0.455 109.012 108.800 -0.405 0.000 2.459 1300 G HA2 -0.304 3.656 3.960 0.000 0.000 0.217 1300 G HA3 -0.304 3.656 3.960 0.000 0.000 0.217 1300 G C 1.594 176.400 174.900 -0.156 0.000 1.183 1300 G CA 0.931 45.881 45.100 -0.251 0.000 0.776 1300 G HN 0.504 nan 8.290 nan 0.000 0.552 1301 E N 0.168 120.258 120.200 -0.182 0.000 2.118 1301 E HA -0.193 4.157 4.350 0.000 0.000 0.195 1301 E C 2.506 179.121 176.600 0.024 0.000 0.992 1301 E CA 1.877 58.251 56.400 -0.044 0.000 0.804 1301 E CB -0.279 29.409 29.700 -0.020 0.000 0.741 1301 E HN 0.501 nan 8.360 nan 0.000 0.458 1302 T N -1.528 113.014 114.554 -0.020 0.000 2.978 1302 T HA 0.004 4.354 4.350 0.000 0.000 0.262 1302 T C 1.799 176.565 174.700 0.110 0.000 1.063 1302 T CA 0.732 62.853 62.100 0.035 0.000 1.140 1302 T CB -0.039 68.862 68.868 0.054 0.000 0.886 1302 T HN 0.187 nan 8.240 nan 0.000 0.470 1303 L N 0.284 121.534 121.223 0.045 0.000 2.388 1303 L HA 0.472 4.812 4.340 0.000 0.000 0.209 1303 L C 1.422 178.280 176.870 -0.020 0.000 1.061 1303 L CA 0.427 55.276 54.840 0.015 0.000 0.834 1303 L CB 0.162 42.190 42.059 -0.051 0.000 1.029 1303 L HN 0.388 nan 8.230 nan 0.000 0.473 1304 I N -3.478 117.065 120.570 -0.044 0.000 2.913 1304 I HA 0.139 4.309 4.170 0.000 0.000 0.334 1304 I C 1.517 177.544 176.117 -0.150 0.000 1.449 1304 I CA -0.501 60.714 61.300 -0.141 0.000 0.867 1304 I CB -0.093 37.850 38.000 -0.094 0.000 1.918 1304 I HN 0.121 nan 8.210 nan 0.000 0.556 1305 H N 1.801 120.831 119.070 -0.066 0.000 2.457 1305 H HA -0.107 4.449 4.556 0.000 0.000 0.297 1305 H C 0.815 176.113 175.328 -0.049 0.000 1.092 1305 H CA 1.600 57.613 56.048 -0.058 0.000 1.309 1305 H CB -0.570 29.163 29.762 -0.048 0.000 1.382 1305 H HN 0.669 nan 8.280 nan 0.000 0.535 1306 N N 1.174 119.659 118.700 -0.358 0.000 2.313 1306 N HA -0.041 4.699 4.740 0.000 0.000 0.207 1306 N C 0.373 175.792 175.510 -0.152 0.000 1.141 1306 N CA -0.107 52.820 53.050 -0.204 0.000 0.830 1306 N CB 0.125 38.457 38.487 -0.259 0.000 1.008 1306 N HN 0.628 nan 8.380 nan 0.000 0.481 1307 R N -1.601 118.822 120.500 -0.128 0.000 2.452 1307 R HA 0.256 4.596 4.340 0.000 0.000 0.361 1307 R C 0.311 176.584 176.300 -0.045 0.000 0.918 1307 R CA -0.468 55.579 56.100 -0.088 0.000 1.080 1307 R CB -0.914 29.317 30.300 -0.115 0.000 1.471 1307 R HN -0.140 nan 8.270 nan 0.000 0.633 1308 M N 1.368 120.958 119.600 -0.016 0.000 2.331 1308 M HA -0.070 4.410 4.480 0.000 0.000 0.260 1308 M C 0.313 176.658 176.300 0.074 0.000 1.072 1308 M CA 1.912 57.243 55.300 0.052 0.000 1.065 1308 M CB -0.433 32.192 32.600 0.041 0.000 1.392 1308 M HN 0.422 nan 8.290 nan 0.000 0.427 1309 N N -1.365 117.340 118.700 0.007 0.000 2.238 1309 N HA 0.090 4.830 4.740 0.000 0.000 0.222 1309 N C -0.492 174.990 175.510 -0.047 0.000 1.133 1309 N CA -0.221 52.813 53.050 -0.026 0.000 0.854 1309 N CB 0.345 38.823 38.487 -0.015 0.000 1.041 1309 N HN 0.167 nan 8.380 nan 0.000 0.510 1310 T N 1.060 115.587 114.554 -0.045 0.000 2.932 1310 T HA 0.102 4.452 4.350 0.000 0.000 0.312 1310 T C 0.855 175.520 174.700 -0.059 0.000 1.071 1310 T CA 0.129 62.206 62.100 -0.039 0.000 1.128 1310 T CB 0.916 69.765 68.868 -0.031 0.000 0.984 1310 T HN 0.216 nan 8.240 nan 0.000 0.549 1311 T N 0.213 114.748 114.554 -0.032 0.000 2.926 1311 T HA 0.486 4.836 4.350 0.000 0.000 0.289 1311 T C 1.021 175.714 174.700 -0.010 0.000 1.054 1311 T CA -1.021 61.060 62.100 -0.031 0.000 1.015 1311 T CB 1.051 69.917 68.868 -0.003 0.000 1.167 1311 T HN 0.242 nan 8.240 nan 0.000 0.526 1312 L N 1.135 122.355 121.223 -0.005 0.000 2.093 1312 L HA 0.123 4.463 4.340 0.000 0.000 0.208 1312 L C 2.531 179.422 176.870 0.035 0.000 1.085 1312 L CA 1.800 56.647 54.840 0.010 0.000 0.755 1312 L CB -1.314 40.767 42.059 0.036 0.000 0.904 1312 L HN 0.814 nan 8.230 nan 0.000 0.435 1313 S N -0.396 115.334 115.700 0.051 0.000 2.383 1313 S HA -0.181 4.289 4.470 0.000 0.000 0.229 1313 S C 2.026 176.661 174.600 0.058 0.000 1.030 1313 S CA 1.379 59.617 58.200 0.063 0.000 1.002 1313 S CB -0.524 62.721 63.200 0.075 0.000 0.829 1313 S HN 0.802 nan 8.310 nan 0.000 0.467 1314 S N 1.724 117.453 115.700 0.048 0.000 2.469 1314 S HA 0.072 4.542 4.470 0.000 0.000 0.238 1314 S C 1.567 176.208 174.600 0.068 0.000 0.998 1314 S CA 0.512 58.744 58.200 0.053 0.000 0.957 1314 S CB -0.639 62.584 63.200 0.038 0.000 0.764 1314 S HN 0.462 nan 8.310 nan 0.000 0.514 1315 L N 0.524 121.786 121.223 0.065 0.000 2.456 1315 L HA 0.024 4.364 4.340 0.000 0.000 0.224 1315 L C 2.470 179.386 176.870 0.076 0.000 1.148 1315 L CA 0.850 55.747 54.840 0.096 0.000 0.825 1315 L CB -0.521 41.589 42.059 0.086 0.000 0.937 1315 L HN 0.367 nan 8.230 nan 0.000 0.450 1316 K N 0.598 121.027 120.400 0.048 0.000 2.152 1316 K HA -0.207 4.113 4.320 0.000 0.000 0.206 1316 K C 1.790 178.466 176.600 0.127 0.000 1.048 1316 K CA 1.404 57.737 56.287 0.076 0.000 0.933 1316 K CB -0.070 32.525 32.500 0.158 0.000 0.721 1316 K HN 0.418 nan 8.250 nan 0.000 0.447 1317 E N 0.619 120.887 120.200 0.112 0.000 2.204 1317 E HA -0.133 4.217 4.350 0.000 0.000 0.195 1317 E C 1.375 178.042 176.600 0.112 0.000 0.990 1317 E CA 0.841 57.303 56.400 0.104 0.000 0.821 1317 E CB 0.163 29.914 29.700 0.085 0.000 0.750 1317 E HN 0.076 nan 8.360 nan 0.000 0.477 1318 K N 0.176 120.665 120.400 0.148 0.000 2.444 1318 K HA 0.095 4.415 4.320 0.000 0.000 0.193 1318 K C 0.771 177.478 176.600 0.180 0.000 1.024 1318 K CA 0.225 56.613 56.287 0.167 0.000 1.077 1318 K CB 1.202 33.880 32.500 0.296 0.000 0.833 1318 K HN 0.018 nan 8.250 nan 0.000 0.517 1319 V N 2.082 122.108 119.914 0.187 0.000 3.415 1319 V HA -0.049 4.071 4.120 0.000 0.000 0.315 1319 V C 0.979 177.262 176.094 0.315 0.000 1.516 1319 V CA 0.036 62.491 62.300 0.259 0.000 1.122 1319 V CB 0.084 32.023 31.823 0.193 0.000 0.988 1319 V HN 0.270 nan 8.190 nan 0.000 0.474 1320 N N 0.918 119.751 118.700 0.222 0.000 2.381 1320 N HA -0.113 4.627 4.740 0.000 0.000 0.182 1320 N C 1.133 176.731 175.510 0.146 0.000 1.025 1320 N CA 1.784 54.957 53.050 0.205 0.000 0.888 1320 N CB -0.203 38.370 38.487 0.142 0.000 0.965 1320 N HN 0.606 nan 8.380 nan 0.000 0.438 1321 T N -4.554 110.061 114.554 0.101 0.000 3.182 1321 T HA 0.650 5.000 4.350 0.000 0.000 0.277 1321 T C 0.648 175.334 174.700 -0.023 0.000 1.013 1321 T CA 0.074 62.189 62.100 0.025 0.000 0.900 1321 T CB 0.021 68.883 68.868 -0.011 0.000 1.098 1321 T HN 0.392 nan 8.240 nan 0.000 0.543 1322 A N 2.419 125.279 122.820 0.066 0.000 2.822 1322 A HA -0.223 4.097 4.320 0.000 0.000 0.287 1322 A C 1.702 179.231 177.584 -0.092 0.000 1.479 1322 A CA 1.130 53.151 52.037 -0.026 0.000 0.779 1322 A CB -2.223 16.494 19.000 -0.471 0.000 1.022 1322 A HN 0.761 nan 8.150 nan 0.000 0.532 1323 Q N -1.243 118.527 119.800 -0.050 0.000 2.472 1323 Q HA 0.117 4.457 4.340 0.000 0.000 0.208 1323 Q C 0.702 176.632 176.000 -0.117 0.000 0.958 1323 Q CA 1.173 56.876 55.803 -0.167 0.000 0.932 1323 Q CB -0.447 28.202 28.738 -0.149 0.000 1.007 1323 Q HN 0.979 nan 8.270 nan 0.000 0.508 1324 C N 0.541 119.880 119.300 0.065 0.000 3.154 1324 C HA 0.640 5.100 4.460 0.000 0.000 0.312 1324 C C -2.649 172.562 174.990 0.368 0.000 1.349 1324 C CA -1.602 57.509 59.018 0.155 0.000 1.518 1324 C CB 2.158 30.004 27.740 0.176 0.000 1.934 1324 C HN 0.196 nan 8.230 nan 0.000 0.462 1325 P HA 0.268 nan 4.420 nan 0.000 0.275 1325 P C -0.845 176.625 177.300 0.282 0.000 1.228 1325 P CA -0.375 62.950 63.100 0.374 0.000 0.786 1325 P CB 0.388 32.263 31.700 0.291 0.000 0.927 1326 L N 5.696 126.906 121.223 -0.021 0.000 2.410 1326 L HA 0.281 4.621 4.340 0.000 0.000 0.273 1326 L C -2.239 174.515 176.870 -0.192 0.000 1.144 1326 L CA -1.517 53.098 54.840 -0.375 0.000 0.863 1326 L CB -0.226 41.413 42.059 -0.701 0.000 1.140 1326 L HN 0.275 nan 8.230 nan 0.000 0.463 1327 P HA 0.253 nan 4.420 nan 0.000 0.285 1327 P C -1.340 175.642 177.300 -0.530 0.000 1.259 1327 P CA -0.288 62.440 63.100 -0.621 0.000 0.794 1327 P CB 1.107 32.183 31.700 -1.040 0.000 0.940 1328 L N 3.846 124.665 121.223 -0.673 0.000 2.362 1328 L HA 0.588 4.928 4.340 0.000 0.000 0.271 1328 L C -0.241 176.132 176.870 -0.829 0.000 1.002 1328 L CA -0.753 53.794 54.840 -0.488 0.000 0.818 1328 L CB 1.279 43.156 42.059 -0.303 0.000 1.298 1328 L HN 0.283 nan 8.230 nan 0.000 0.420 1329 F N -0.222 119.532 119.950 -0.327 0.000 2.620 1329 F HA 0.779 5.306 4.527 0.000 0.000 0.320 1329 F C 0.250 175.890 175.800 -0.266 0.000 1.069 1329 F CA -0.728 56.876 58.000 -0.660 0.000 0.953 1329 F CB 2.353 40.396 39.000 -1.595 0.000 1.322 1329 F HN 0.305 nan 8.300 nan 0.000 0.479 1330 T N -0.092 114.373 114.554 -0.148 0.000 2.792 1330 T HA 0.741 5.091 4.350 0.000 0.000 0.303 1330 T C -1.538 173.268 174.700 0.176 0.000 1.310 1330 T CA -0.431 61.812 62.100 0.238 0.000 1.007 1330 T CB 1.161 70.215 68.868 0.311 0.000 1.335 1330 T HN 1.216 nan 8.240 nan 0.000 0.504 1331 C N 1.723 121.192 119.300 0.281 0.000 3.295 1331 C HA 0.828 5.288 4.460 0.000 0.000 0.341 1331 C C -1.756 173.212 174.990 -0.038 0.000 1.418 1331 C CA -1.144 57.949 59.018 0.125 0.000 1.240 1331 C CB -0.125 27.808 27.740 0.321 0.000 1.562 1331 C HN 0.954 nan 8.230 nan 0.000 0.457 1332 L N 1.310 122.452 121.223 -0.136 0.000 2.334 1332 L HA 0.564 4.904 4.340 0.000 0.000 0.272 1332 L C -0.406 176.521 176.870 0.094 0.000 1.020 1332 L CA -0.341 54.397 54.840 -0.170 0.000 0.812 1332 L CB 1.292 43.147 42.059 -0.340 0.000 1.264 1332 L HN 0.928 nan 8.230 nan 0.000 0.439 1333 H N 1.428 120.542 119.070 0.074 0.000 2.519 1333 H HA 0.524 5.080 4.556 0.000 0.000 0.316 1333 H C -1.436 173.957 175.328 0.108 0.000 1.065 1333 H CA -0.632 55.497 56.048 0.135 0.000 1.264 1333 H CB 1.309 31.174 29.762 0.172 0.000 1.413 1333 H HN 0.199 nan 8.280 nan 0.000 0.465 1334 V N 6.322 126.059 119.914 -0.296 0.000 2.334 1334 V HA 0.205 4.325 4.120 0.000 0.000 0.281 1334 V C 0.165 176.074 176.094 -0.308 0.000 1.016 1334 V CA -0.988 61.160 62.300 -0.254 0.000 0.832 1334 V CB 0.776 32.577 31.823 -0.036 0.000 0.999 1334 V HN 0.728 nan 8.190 nan 0.000 0.439 1335 K N 8.000 128.205 120.400 -0.325 0.000 2.339 1335 K HA 0.303 4.623 4.320 0.000 0.000 0.286 1335 K C -1.173 175.411 176.600 -0.026 0.000 1.050 1335 K CA -1.606 54.592 56.287 -0.148 0.000 0.956 1335 K CB 1.094 33.554 32.500 -0.067 0.000 0.990 1335 K HN 0.346 nan 8.250 nan 0.000 0.475 1336 P HA -0.200 nan 4.420 nan 0.000 0.220 1336 P C 0.582 177.902 177.300 0.033 0.000 1.144 1336 P CA 1.767 64.902 63.100 0.058 0.000 0.800 1336 P CB 0.008 31.751 31.700 0.072 0.000 0.772 1337 D N 1.084 121.495 120.400 0.018 0.000 2.084 1337 D HA -0.048 4.592 4.640 0.000 0.000 0.196 1337 D C 1.363 177.671 176.300 0.012 0.000 0.985 1337 D CA 1.391 55.397 54.000 0.011 0.000 0.826 1337 D CB -1.250 39.552 40.800 0.003 0.000 0.978 1337 D HN 0.222 nan 8.370 nan 0.000 0.456 1338 V N -3.044 116.879 119.914 0.017 0.000 2.928 1338 V HA 0.518 4.638 4.120 0.000 0.000 0.307 1338 V C 1.399 177.525 176.094 0.054 0.000 1.105 1338 V CA 0.977 63.299 62.300 0.036 0.000 1.223 1338 V CB 0.595 32.463 31.823 0.075 0.000 0.930 1338 V HN 0.558 nan 8.190 nan 0.000 0.499 1339 S N 1.785 117.530 115.700 0.075 0.000 2.599 1339 S HA 0.263 4.733 4.470 0.000 0.000 0.236 1339 S C 1.005 175.679 174.600 0.123 0.000 1.077 1339 S CA 0.010 58.258 58.200 0.080 0.000 0.906 1339 S CB 0.031 63.267 63.200 0.061 0.000 0.804 1339 S HN 0.833 nan 8.310 nan 0.000 0.497 1340 E N 1.908 122.241 120.200 0.221 0.000 2.081 1340 E HA 0.377 4.727 4.350 0.000 0.000 0.276 1340 E C 0.288 177.038 176.600 0.250 0.000 0.950 1340 E CA -0.400 56.155 56.400 0.258 0.000 0.776 1340 E CB 1.080 31.030 29.700 0.417 0.000 1.094 1340 E HN 0.436 nan 8.360 nan 0.000 0.402 1341 L N 3.451 124.754 121.223 0.133 0.000 2.549 1341 L HA -0.138 4.202 4.340 0.000 0.000 0.230 1341 L C 2.045 178.992 176.870 0.128 0.000 1.162 1341 L CA 0.512 55.413 54.840 0.102 0.000 0.834 1341 L CB -0.279 41.797 42.059 0.028 0.000 0.947 1341 L HN 0.480 nan 8.230 nan 0.000 0.452 1342 M N -0.966 118.685 119.600 0.085 0.000 2.630 1342 M HA -0.087 4.393 4.480 0.000 0.000 0.254 1342 M C 1.061 177.350 176.300 -0.019 0.000 1.092 1342 M CA 1.603 56.936 55.300 0.055 0.000 1.087 1342 M CB -0.086 32.425 32.600 -0.149 0.000 1.453 1342 M HN 0.029 nan 8.290 nan 0.000 0.509 1343 F N -0.502 119.584 119.950 0.226 0.000 2.721 1343 F HA 0.479 5.006 4.527 0.000 0.000 0.301 1343 F C 1.340 177.271 175.800 0.218 0.000 1.096 1343 F CA -0.322 57.800 58.000 0.202 0.000 1.308 1343 F CB -0.843 38.230 39.000 0.123 0.000 1.086 1343 F HN -0.011 nan 8.300 nan 0.000 0.587 1344 A N 0.243 123.260 122.820 0.328 0.000 2.466 1344 A HA 0.159 4.479 4.320 0.000 0.000 0.238 1344 A C 0.036 177.815 177.584 0.325 0.000 1.074 1344 A CA -0.212 51.956 52.037 0.219 0.000 0.774 1344 A CB -0.029 19.004 19.000 0.056 0.000 1.015 1344 A HN 0.102 nan 8.150 nan 0.000 0.498 1345 D N 0.091 120.674 120.400 0.306 0.000 2.255 1345 D HA 0.291 4.931 4.640 0.000 0.000 0.249 1345 D C -0.934 175.583 176.300 0.362 0.000 1.078 1345 D CA 0.369 54.614 54.000 0.409 0.000 0.896 1345 D CB 0.751 41.821 40.800 0.450 0.000 1.194 1345 D HN 0.502 nan 8.370 nan 0.000 0.429 1346 W N 1.152 122.562 121.300 0.183 0.000 2.351 1346 W HA 0.328 4.988 4.660 0.000 0.000 0.311 1346 W C -0.118 176.492 176.519 0.152 0.000 1.168 1346 W CA -0.601 56.820 57.345 0.127 0.000 1.200 1346 W CB 0.824 30.302 29.460 0.031 0.000 1.221 1346 W HN -0.041 nan 8.180 nan 0.000 0.519 1347 V N 3.223 123.343 119.914 0.344 0.000 2.481 1347 V HA 0.260 4.380 4.120 0.000 0.000 0.286 1347 V C 0.030 176.287 176.094 0.272 0.000 1.042 1347 V CA -1.192 61.256 62.300 0.247 0.000 0.928 1347 V CB 1.325 33.294 31.823 0.243 0.000 0.986 1347 V HN 0.510 nan 8.190 nan 0.000 0.462 1348 E N 3.546 123.816 120.200 0.117 0.000 2.179 1348 E HA 0.568 4.918 4.350 0.000 0.000 0.275 1348 E C -1.943 174.662 176.600 0.008 0.000 0.945 1348 E CA -0.518 55.989 56.400 0.179 0.000 0.792 1348 E CB 1.381 31.198 29.700 0.195 0.000 1.125 1348 E HN 0.484 nan 8.360 nan 0.000 0.397 1349 F N 2.126 122.143 119.950 0.112 0.000 2.529 1349 F HA 0.372 4.899 4.527 0.000 0.000 0.320 1349 F C 0.212 176.102 175.800 0.149 0.000 1.118 1349 F CA -0.462 57.617 58.000 0.131 0.000 0.915 1349 F CB 2.191 41.323 39.000 0.219 0.000 1.161 1349 F HN 0.481 nan 8.300 nan 0.000 0.445 1350 S N 2.292 118.140 115.700 0.247 0.000 2.685 1350 S HA 0.621 5.091 4.470 0.000 0.000 0.282 1350 S C -2.724 171.895 174.600 0.032 0.000 1.159 1350 S CA -1.606 56.660 58.200 0.110 0.000 0.833 1350 S CB 2.149 65.344 63.200 -0.010 0.000 1.151 1350 S HN 0.192 nan 8.310 nan 0.000 0.485 1351 P HA 0.112 nan 4.420 nan 0.000 0.234 1351 P C -0.033 177.158 177.300 -0.183 0.000 1.167 1351 P CA 0.849 63.816 63.100 -0.222 0.000 0.763 1351 P CB -0.179 31.281 31.700 -0.401 0.000 0.835 1352 Y N -1.177 119.141 120.300 0.031 0.000 2.558 1352 Y HA 0.324 4.875 4.550 0.000 0.000 0.273 1352 Y C 0.987 176.893 175.900 0.011 0.000 1.100 1352 Y CA -0.190 57.919 58.100 0.016 0.000 1.276 1352 Y CB 0.377 38.831 38.460 -0.010 0.000 1.196 1352 Y HN -0.098 nan 8.280 nan 0.000 0.527 1353 E N -0.355 119.932 120.200 0.144 0.000 2.430 1353 E HA 0.549 4.899 4.350 0.000 0.000 0.279 1353 E C -1.566 175.060 176.600 0.043 0.000 1.003 1353 E CA -0.675 55.775 56.400 0.083 0.000 0.801 1353 E CB 2.971 32.690 29.700 0.032 0.000 1.313 1353 E HN -0.146 nan 8.360 nan 0.000 0.459 1354 I N 0.804 121.371 120.570 -0.006 0.000 2.582 1354 I HA 0.741 4.911 4.170 0.000 0.000 0.292 1354 I C 0.084 176.124 176.117 -0.130 0.000 1.066 1354 I CA -0.451 60.710 61.300 -0.233 0.000 1.053 1354 I CB 2.153 39.878 38.000 -0.458 0.000 1.241 1354 I HN 0.695 nan 8.210 nan 0.000 0.421 1355 G N 5.376 114.093 108.800 -0.138 0.000 2.320 1355 G HA2 0.374 4.334 3.960 0.000 0.000 0.296 1355 G HA3 0.374 4.334 3.960 0.000 0.000 0.296 1355 G C -1.632 173.150 174.900 -0.197 0.000 1.306 1355 G CA -0.879 44.060 45.100 -0.269 0.000 0.836 1355 G HN 0.347 nan 8.290 nan 0.000 0.517 1356 M N 1.668 121.041 119.600 -0.379 0.000 2.023 1356 M HA 0.441 4.921 4.480 0.000 0.000 0.325 1356 M C 1.270 177.424 176.300 -0.243 0.000 0.963 1356 M CA -0.552 54.675 55.300 -0.120 0.000 0.928 1356 M CB 1.676 34.341 32.600 0.108 0.000 1.429 1356 M HN 0.810 nan 8.290 nan 0.000 0.404 1357 A N 2.901 125.740 122.820 0.032 0.000 1.986 1357 A HA -0.173 4.147 4.320 0.000 0.000 0.220 1357 A C 2.164 179.777 177.584 0.049 0.000 1.171 1357 A CA 1.774 53.948 52.037 0.228 0.000 0.640 1357 A CB -0.356 18.824 19.000 0.299 0.000 0.811 1357 A HN 0.858 nan 8.150 nan 0.000 0.451 1358 K N -1.621 118.715 120.400 -0.106 0.000 2.074 1358 K HA -0.195 4.125 4.320 0.000 0.000 0.209 1358 K C 0.754 177.170 176.600 -0.307 0.000 1.048 1358 K CA 1.860 57.967 56.287 -0.300 0.000 0.926 1358 K CB -0.227 31.902 32.500 -0.619 0.000 0.713 1358 K HN 0.626 nan 8.250 nan 0.000 0.444 1359 Y N -0.542 119.795 120.300 0.060 0.000 2.555 1359 Y HA 0.287 4.837 4.550 0.000 0.000 0.259 1359 Y C 0.992 176.917 175.900 0.042 0.000 1.179 1359 Y CA -0.206 57.924 58.100 0.050 0.000 1.230 1359 Y CB 0.395 38.884 38.460 0.047 0.000 1.146 1359 Y HN 0.199 nan 8.280 nan 0.000 0.526 1360 G N 1.260 110.124 108.800 0.108 0.000 2.379 1360 G HA2 -0.290 3.670 3.960 0.000 0.000 0.297 1360 G HA3 -0.290 3.670 3.960 0.000 0.000 0.297 1360 G C -0.021 174.895 174.900 0.027 0.000 1.004 1360 G CA 0.886 46.087 45.100 0.169 0.000 0.921 1360 G HN 0.290 nan 8.290 nan 0.000 0.511 1361 T N 0.040 114.365 114.554 -0.382 0.000 2.809 1361 T HA 0.653 5.003 4.350 0.000 0.000 0.296 1361 T C -0.457 173.757 174.700 -0.811 0.000 1.015 1361 T CA -0.244 61.658 62.100 -0.330 0.000 0.954 1361 T CB 0.841 69.722 68.868 0.021 0.000 0.950 1361 T HN 0.254 nan 8.240 nan 0.000 0.450 1362 F N 2.412 122.253 119.950 -0.183 0.000 2.631 1362 F HA 0.797 5.324 4.527 0.000 0.000 0.328 1362 F C 0.105 175.747 175.800 -0.263 0.000 1.067 1362 F CA -1.413 56.461 58.000 -0.211 0.000 0.969 1362 F CB 1.802 40.732 39.000 -0.116 0.000 1.332 1362 F HN 0.433 nan 8.300 nan 0.000 0.490 1363 M N 0.708 120.297 119.600 -0.019 0.000 2.721 1363 M HA 0.903 5.383 4.480 0.000 0.000 0.271 1363 M C -1.610 174.718 176.300 0.046 0.000 1.259 1363 M CA -1.114 54.168 55.300 -0.030 0.000 0.835 1363 M CB 1.942 34.470 32.600 -0.120 0.000 1.689 1363 M HN 0.593 nan 8.290 nan 0.000 0.470 1364 A N 0.855 123.725 122.820 0.084 0.000 2.351 1364 A HA 0.602 4.922 4.320 0.000 0.000 0.257 1364 A C -2.139 175.519 177.584 0.124 0.000 1.087 1364 A CA -1.396 50.702 52.037 0.102 0.000 0.798 1364 A CB -0.447 18.613 19.000 0.101 0.000 1.033 1364 A HN 0.754 nan 8.150 nan 0.000 0.488 1365 P HA -0.185 nan 4.420 nan 0.000 0.216 1365 P C 0.568 177.985 177.300 0.196 0.000 1.150 1365 P CA 1.800 64.992 63.100 0.153 0.000 0.837 1365 P CB -0.046 31.732 31.700 0.131 0.000 0.786 1366 D N -1.524 118.969 120.400 0.156 0.000 2.309 1366 D HA -0.129 4.511 4.640 0.000 0.000 0.212 1366 D C 1.346 177.751 176.300 0.175 0.000 0.968 1366 D CA 0.937 55.025 54.000 0.148 0.000 0.882 1366 D CB -0.911 39.949 40.800 0.101 0.000 0.918 1366 D HN 0.060 nan 8.370 nan 0.000 0.503 1367 L N -0.784 120.567 121.223 0.213 0.000 2.567 1367 L HA 0.255 4.595 4.340 0.000 0.000 0.225 1367 L C 0.303 177.393 176.870 0.366 0.000 1.119 1367 L CA -0.135 54.863 54.840 0.264 0.000 0.871 1367 L CB -1.564 40.703 42.059 0.346 0.000 1.036 1367 L HN 0.107 nan 8.230 nan 0.000 0.459 1368 F N 1.390 121.459 119.950 0.198 0.000 2.504 1368 F HA 0.390 4.917 4.527 0.000 0.000 0.365 1368 F C 1.282 177.247 175.800 0.276 0.000 1.140 1368 F CA 0.986 59.114 58.000 0.213 0.000 1.077 1368 F CB 0.032 39.140 39.000 0.179 0.000 1.106 1368 F HN 0.260 nan 8.300 nan 0.000 0.578 1369 G N 2.438 111.162 108.800 -0.127 0.000 2.380 1369 G HA2 -0.216 3.744 3.960 0.000 0.000 0.197 1369 G HA3 -0.216 3.744 3.960 0.000 0.000 0.197 1369 G C 0.288 175.405 174.900 0.361 0.000 1.001 1369 G CA -0.102 44.973 45.100 -0.042 0.000 0.668 1369 G HN 0.672 nan 8.290 nan 0.000 0.483 1370 S N 0.593 116.537 115.700 0.407 0.000 2.589 1370 S HA 0.453 4.923 4.470 0.000 0.000 0.265 1370 S C 0.376 175.139 174.600 0.273 0.000 1.342 1370 S CA 0.145 58.525 58.200 0.299 0.000 1.005 1370 S CB 1.447 64.617 63.200 -0.050 0.000 0.909 1370 S HN 0.543 nan 8.310 nan 0.000 0.555 1371 K N 0.553 120.906 120.400 -0.079 0.000 2.174 1371 K HA 0.443 4.763 4.320 0.000 0.000 0.275 1371 K C -1.429 175.070 176.600 -0.168 0.000 1.015 1371 K CA -0.091 56.100 56.287 -0.159 0.000 0.933 1371 K CB 0.390 32.656 32.500 -0.390 0.000 1.025 1371 K HN 0.427 nan 8.250 nan 0.000 0.463 1372 F N 2.918 122.892 119.950 0.039 0.000 2.593 1372 F HA 0.551 5.078 4.527 0.000 0.000 0.320 1372 F C -0.887 175.048 175.800 0.225 0.000 1.060 1372 F CA -0.834 57.240 58.000 0.125 0.000 0.940 1372 F CB 1.655 40.758 39.000 0.171 0.000 1.268 1372 F HN 0.382 nan 8.300 nan 0.000 0.475 1373 F N 3.144 123.237 119.950 0.239 0.000 2.651 1373 F HA 0.404 4.931 4.527 0.000 0.000 0.329 1373 F C -0.355 175.543 175.800 0.164 0.000 1.186 1373 F CA -1.523 56.569 58.000 0.153 0.000 1.046 1373 F CB 1.143 40.196 39.000 0.087 0.000 1.296 1373 F HN 0.516 nan 8.300 nan 0.000 0.497 1374 M N 5.203 124.631 119.600 -0.286 0.000 2.360 1374 M HA -0.201 4.279 4.480 0.000 0.000 0.202 1374 M C 1.085 177.411 176.300 0.043 0.000 0.390 1374 M CA 1.356 56.498 55.300 -0.264 0.000 0.470 1374 M CB -1.898 30.389 32.600 -0.522 0.000 1.637 1374 M HN 1.416 nan 8.290 nan 0.000 0.885 1375 G N -0.988 107.943 108.800 0.217 0.000 2.162 1375 G HA2 -0.258 3.702 3.960 0.000 0.000 0.260 1375 G HA3 -0.258 3.702 3.960 0.000 0.000 0.260 1375 G C 0.001 175.125 174.900 0.375 0.000 0.976 1375 G CA 0.771 46.074 45.100 0.338 0.000 0.655 1375 G HN 0.563 nan 8.290 nan 0.000 0.533 1376 T N 0.043 114.789 114.554 0.320 0.000 2.885 1376 T HA 0.619 4.969 4.350 0.000 0.000 0.285 1376 T C 0.368 175.073 174.700 0.008 0.000 1.019 1376 T CA 0.020 62.224 62.100 0.174 0.000 1.010 1376 T CB 2.466 71.398 68.868 0.106 0.000 1.022 1376 T HN 1.358 nan 8.240 nan 0.000 0.466 1377 V N 2.029 121.780 119.914 -0.272 0.000 2.614 1377 V HA 0.479 4.599 4.120 0.000 0.000 0.291 1377 V C 1.031 176.962 176.094 -0.272 0.000 1.049 1377 V CA -0.176 61.774 62.300 -0.582 0.000 1.038 1377 V CB 0.825 32.278 31.823 -0.616 0.000 0.980 1377 V HN 0.835 nan 8.190 nan 0.000 0.481 1378 V N 0.338 120.099 119.914 -0.255 0.000 3.621 1378 V HA 0.642 4.762 4.120 0.000 0.000 0.263 1378 V C 0.623 176.567 176.094 -0.250 0.000 1.272 1378 V CA 0.855 63.057 62.300 -0.163 0.000 1.080 1378 V CB -0.712 31.068 31.823 -0.072 0.000 0.816 1378 V HN 1.471 nan 8.190 nan 0.000 0.451 1379 K N 0.825 121.007 120.400 -0.364 0.000 2.616 1379 K HA 0.625 4.945 4.320 0.000 0.000 0.255 1379 K C -0.926 175.263 176.600 -0.686 0.000 0.995 1379 K CA -0.313 55.680 56.287 -0.490 0.000 0.860 1379 K CB 1.212 33.407 32.500 -0.509 0.000 1.264 1379 K HN 0.449 nan 8.250 nan 0.000 0.451 1380 K N 2.456 122.525 120.400 -0.551 0.000 2.213 1380 K HA 0.696 5.016 4.320 0.000 0.000 0.270 1380 K C -1.043 175.311 176.600 -0.411 0.000 1.002 1380 K CA -0.518 55.510 56.287 -0.432 0.000 0.868 1380 K CB 0.619 32.980 32.500 -0.231 0.000 1.093 1380 K HN 0.603 nan 8.250 nan 0.000 0.454 1381 Y N 0.961 121.244 120.300 -0.029 0.000 2.568 1381 Y HA 0.218 4.768 4.550 0.000 0.000 0.327 1381 Y C 0.478 176.368 175.900 -0.016 0.000 1.163 1381 Y CA -0.972 57.114 58.100 -0.022 0.000 1.219 1381 Y CB 0.776 39.225 38.460 -0.018 0.000 1.308 1381 Y HN 0.558 nan 8.280 nan 0.000 0.503 1382 E N 1.488 121.787 120.200 0.164 0.000 2.452 1382 E HA -0.080 4.270 4.350 0.000 0.000 0.261 1382 E C -0.390 176.254 176.600 0.074 0.000 0.987 1382 E CA -0.130 56.317 56.400 0.077 0.000 0.926 1382 E CB 0.512 30.235 29.700 0.040 0.000 0.934 1382 E HN 0.598 nan 8.360 nan 0.000 0.452 1383 E N 3.270 123.507 120.200 0.062 0.000 2.452 1383 E HA -0.104 4.246 4.350 0.000 0.000 0.261 1383 E C -0.589 176.027 176.600 0.027 0.000 0.987 1383 E CA 0.076 56.520 56.400 0.074 0.000 0.926 1383 E CB 0.429 30.172 29.700 0.072 0.000 0.934 1383 E HN 0.409 nan 8.360 nan 0.000 0.452 1384 N N 4.443 123.174 118.700 0.051 0.000 2.454 1384 N HA 0.068 4.808 4.740 0.000 0.000 0.254 1384 N C -2.282 173.198 175.510 -0.049 0.000 1.228 1384 N CA -0.844 52.197 53.050 -0.015 0.000 0.900 1384 N CB 0.627 39.200 38.487 0.144 0.000 1.089 1384 N HN 0.373 nan 8.380 nan 0.000 0.449 1385 P HA -0.019 nan 4.420 nan 0.000 0.274 1385 P C 0.586 177.698 177.300 -0.314 0.000 1.246 1385 P CA -0.430 62.484 63.100 -0.310 0.000 0.795 1385 P CB 0.858 32.197 31.700 -0.601 0.000 1.006 1386 L N 1.955 123.023 121.223 -0.259 0.000 2.079 1386 L HA -0.204 4.136 4.340 0.000 0.000 0.210 1386 L C 2.715 179.415 176.870 -0.284 0.000 1.081 1386 L CA 1.884 56.579 54.840 -0.242 0.000 0.752 1386 L CB -1.702 40.277 42.059 -0.134 0.000 0.896 1386 L HN 0.530 nan 8.230 nan 0.000 0.433 1387 H N -2.876 116.091 119.070 -0.171 0.000 2.456 1387 H HA -0.220 4.336 4.556 0.000 0.000 0.296 1387 H C 2.093 177.275 175.328 -0.243 0.000 1.079 1387 H CA 1.421 57.334 56.048 -0.226 0.000 1.322 1387 H CB -0.769 28.859 29.762 -0.223 0.000 1.388 1387 H HN 0.439 nan 8.280 nan 0.000 0.538 1388 F N 2.506 122.282 119.950 -0.290 0.000 2.163 1388 F HA -0.037 4.490 4.527 0.000 0.000 0.297 1388 F C 2.222 177.816 175.800 -0.344 0.000 1.094 1388 F CA 0.795 58.672 58.000 -0.205 0.000 1.290 1388 F CB -0.528 38.345 39.000 -0.212 0.000 1.017 1388 F HN 0.051 nan 8.300 nan 0.000 0.483 1389 L N -0.312 120.436 121.223 -0.791 0.000 2.046 1389 L HA -0.249 4.091 4.340 0.000 0.000 0.208 1389 L C 2.564 178.520 176.870 -1.523 0.000 1.077 1389 L CA 1.559 55.525 54.840 -1.457 0.000 0.747 1389 L CB -0.783 40.251 42.059 -1.708 0.000 0.896 1389 L HN 0.216 nan 8.230 nan 0.000 0.432 1390 M N -0.269 118.825 119.600 -0.843 0.000 2.149 1390 M HA -0.161 4.319 4.480 0.000 0.000 0.261 1390 M C 2.286 178.608 176.300 0.037 0.000 1.064 1390 M CA 1.966 57.189 55.300 -0.129 0.000 1.102 1390 M CB -0.879 31.692 32.600 -0.048 0.000 1.369 1390 M HN 0.369 nan 8.290 nan 0.000 0.408 1391 G N -0.493 108.169 108.800 -0.230 0.000 2.408 1391 G HA2 -0.108 3.852 3.960 0.000 0.000 0.217 1391 G HA3 -0.108 3.852 3.960 0.000 0.000 0.217 1391 G C 1.472 176.386 174.900 0.023 0.000 1.150 1391 G CA 0.669 45.747 45.100 -0.036 0.000 0.776 1391 G HN 0.317 nan 8.290 nan 0.000 0.542 1392 V N -0.100 119.565 119.914 -0.415 0.000 2.270 1392 V HA -0.110 4.010 4.120 0.000 0.000 0.245 1392 V C 2.582 178.620 176.094 -0.093 0.000 1.043 1392 V CA 1.377 63.458 62.300 -0.365 0.000 1.014 1392 V CB -0.593 30.816 31.823 -0.690 0.000 0.645 1392 V HN 0.505 nan 8.190 nan 0.000 0.447 1393 W N 0.713 121.961 121.300 -0.087 0.000 2.364 1393 W HA 0.001 4.661 4.660 0.000 0.000 0.281 1393 W C 1.939 178.508 176.519 0.084 0.000 1.219 1393 W CA 1.340 58.650 57.345 -0.058 0.000 1.220 1393 W CB -1.017 28.385 29.460 -0.098 0.000 1.127 1393 W HN 0.413 nan 8.180 nan 0.000 0.556 1394 G N -0.665 108.453 108.800 0.530 0.000 4.044 1394 G HA2 0.136 4.096 3.960 0.000 0.000 0.297 1394 G HA3 0.136 4.096 3.960 0.000 0.000 0.297 1394 G C 0.999 176.331 174.900 0.719 0.000 1.101 1394 G CA 0.297 45.802 45.100 0.675 0.000 0.884 1394 G HN 0.074 nan 8.290 nan 0.000 0.538 1395 S N -0.450 115.481 115.700 0.385 0.000 2.595 1395 S HA 0.100 4.570 4.470 0.000 0.000 0.235 1395 S C 2.312 176.983 174.600 0.118 0.000 0.974 1395 S CA 0.823 59.167 58.200 0.239 0.000 0.942 1395 S CB 0.204 63.481 63.200 0.127 0.000 0.766 1395 S HN 0.467 nan 8.310 nan 0.000 0.536 1396 A N 1.293 124.169 122.820 0.095 0.000 1.972 1396 A HA 0.131 4.451 4.320 0.000 0.000 0.219 1396 A C 1.676 179.177 177.584 -0.139 0.000 1.169 1396 A CA 0.999 52.983 52.037 -0.088 0.000 0.635 1396 A CB -0.940 17.924 19.000 -0.226 0.000 0.810 1396 A HN 0.563 nan 8.150 nan 0.000 0.446 1397 F N 0.999 120.959 119.950 0.017 0.000 2.407 1397 F HA -0.119 4.408 4.527 0.000 0.000 0.299 1397 F C 2.786 178.452 175.800 -0.222 0.000 1.097 1397 F CA 1.374 59.343 58.000 -0.053 0.000 1.422 1397 F CB -0.135 38.813 39.000 -0.088 0.000 1.067 1397 F HN 0.348 nan 8.300 nan 0.000 0.539 1398 S N -0.231 115.369 115.700 -0.166 0.000 2.446 1398 S HA -0.033 4.437 4.470 0.000 0.000 0.225 1398 S C 1.914 176.546 174.600 0.053 0.000 1.016 1398 S CA 0.471 58.669 58.200 -0.004 0.000 0.943 1398 S CB -0.768 62.528 63.200 0.161 0.000 0.786 1398 S HN 0.383 nan 8.310 nan 0.000 0.508 1399 I N 1.260 121.842 120.570 0.020 0.000 2.252 1399 I HA -0.005 4.165 4.170 0.000 0.000 0.245 1399 I C 1.159 177.271 176.117 -0.010 0.000 1.102 1399 I CA 1.195 62.491 61.300 -0.008 0.000 1.385 1399 I CB -0.163 37.822 38.000 -0.025 0.000 1.064 1399 I HN 0.268 nan 8.210 nan 0.000 0.414 1400 L N -0.264 120.975 121.223 0.027 0.000 2.978 1400 L HA 0.104 4.444 4.340 0.000 0.000 0.239 1400 L C 1.305 178.205 176.870 0.051 0.000 1.293 1400 L CA -0.322 54.544 54.840 0.042 0.000 1.085 1400 L CB -0.189 41.954 42.059 0.141 0.000 1.432 1400 L HN 0.122 nan 8.230 nan 0.000 0.512 1401 F N 1.824 121.674 119.950 -0.166 0.000 2.293 1401 F HA -0.156 4.371 4.527 0.000 0.000 0.300 1401 F C 1.863 177.445 175.800 -0.364 0.000 1.086 1401 F CA 1.305 59.201 58.000 -0.174 0.000 1.375 1401 F CB -0.063 38.844 39.000 -0.155 0.000 1.045 1401 F HN 0.327 nan 8.300 nan 0.000 0.516 1402 N N 0.411 118.795 118.700 -0.526 0.000 2.061 1402 N HA -0.233 4.507 4.740 0.000 0.000 0.193 1402 N C 2.125 177.365 175.510 -0.450 0.000 1.030 1402 N CA 2.523 55.166 53.050 -0.678 0.000 0.856 1402 N CB -0.973 37.226 38.487 -0.480 0.000 1.023 1402 N HN 0.311 nan 8.380 nan 0.000 0.424 1403 R N 1.016 121.283 120.500 -0.389 0.000 2.075 1403 R HA 0.094 4.434 4.340 0.000 0.000 0.232 1403 R C 2.406 178.291 176.300 -0.692 0.000 1.126 1403 R CA 1.495 57.289 56.100 -0.510 0.000 0.963 1403 R CB -1.728 28.248 30.300 -0.541 0.000 0.858 1403 R HN 0.179 nan 8.270 nan 0.000 0.435 1404 V N 1.481 121.032 119.914 -0.605 0.000 2.439 1404 V HA -0.146 3.974 4.120 0.000 0.000 0.253 1404 V C 1.565 177.401 176.094 -0.430 0.000 1.074 1404 V CA 1.093 63.132 62.300 -0.434 0.000 1.076 1404 V CB -0.701 30.989 31.823 -0.221 0.000 0.664 1404 V HN 0.497 nan 8.190 nan 0.000 0.461 1405 L N 1.490 122.402 121.223 -0.519 0.000 2.382 1405 L HA 0.476 4.816 4.340 0.000 0.000 0.259 1405 L C 1.058 177.770 176.870 -0.262 0.000 1.291 1405 L CA 0.417 55.029 54.840 -0.382 0.000 1.176 1405 L CB -1.230 40.608 42.059 -0.368 0.000 1.373 1405 L HN 0.458 nan 8.230 nan 0.000 0.426 1416 T N 0.482 115.115 114.554 0.132 0.000 2.788 1416 T HA 0.454 4.804 4.350 0.000 0.000 0.287 1416 T C 1.443 176.088 174.700 -0.092 0.000 1.007 1416 T CA -0.019 62.128 62.100 0.079 0.000 1.005 1416 T CB 0.693 69.555 68.868 -0.010 0.000 1.012 1416 T HN 0.931 nan 8.240 nan 0.000 0.530 1417 M N 0.858 120.071 119.600 -0.645 0.000 2.080 1417 M HA -0.077 4.403 4.480 0.000 0.000 0.260 1417 M C 1.885 177.935 176.300 -0.417 0.000 1.068 1417 M CA 1.964 56.625 55.300 -1.064 0.000 1.109 1417 M CB -1.047 30.781 32.600 -1.287 0.000 1.342 1417 M HN 0.777 nan 8.290 nan 0.000 0.405 1418 E N 0.595 120.623 120.200 -0.287 0.000 2.058 1418 E HA -0.201 4.149 4.350 0.000 0.000 0.194 1418 E C 1.969 178.502 176.600 -0.112 0.000 0.997 1418 E CA 2.093 58.389 56.400 -0.173 0.000 0.801 1418 E CB -0.475 29.143 29.700 -0.138 0.000 0.746 1418 E HN 0.697 nan 8.360 nan 0.000 0.450 1419 E N 0.567 120.719 120.200 -0.079 0.000 2.038 1419 E HA -0.208 4.142 4.350 0.000 0.000 0.195 1419 E C 2.004 178.590 176.600 -0.022 0.000 1.000 1419 E CA 1.314 57.693 56.400 -0.034 0.000 0.803 1419 E CB -0.187 29.512 29.700 -0.002 0.000 0.750 1419 E HN 0.364 nan 8.360 nan 0.000 0.448 1420 E N 0.468 120.665 120.200 -0.005 0.000 2.338 1420 E HA -0.121 4.229 4.350 0.000 0.000 0.197 1420 E C 2.060 178.648 176.600 -0.020 0.000 1.007 1420 E CA 0.311 56.721 56.400 0.017 0.000 0.849 1420 E CB 0.050 29.806 29.700 0.094 0.000 0.774 1420 E HN 0.238 nan 8.360 nan 0.000 0.506 1421 L N 0.465 121.648 121.223 -0.065 0.000 2.354 1421 L HA -0.028 4.312 4.340 0.000 0.000 0.212 1421 L C 2.495 179.331 176.870 -0.057 0.000 1.091 1421 L CA 1.085 55.877 54.840 -0.081 0.000 0.828 1421 L CB -0.214 41.763 42.059 -0.138 0.000 0.973 1421 L HN 0.073 nan 8.230 nan 0.000 0.461 1422 E N 0.849 121.019 120.200 -0.050 0.000 2.035 1422 E HA -0.321 4.029 4.350 0.000 0.000 0.204 1422 E C 1.241 177.828 176.600 -0.022 0.000 1.025 1422 E CA 1.893 58.271 56.400 -0.036 0.000 0.835 1422 E CB -1.754 27.927 29.700 -0.032 0.000 0.764 1422 E HN 0.731 nan 8.360 nan 0.000 0.457 1423 N N 0.206 118.897 118.700 -0.016 0.000 2.816 1423 N HA 0.531 5.271 4.740 0.000 0.000 0.236 1423 N C -0.314 175.192 175.510 -0.008 0.000 1.076 1423 N CA 0.074 53.120 53.050 -0.008 0.000 0.902 1423 N CB -0.053 38.432 38.487 -0.003 0.000 1.149 1423 N HN 0.813 nan 8.380 nan 0.000 0.506 1424 I N -2.020 118.543 120.570 -0.011 0.000 2.433 1424 I HA 0.601 4.771 4.170 0.000 0.000 0.292 1424 I C 0.454 176.567 176.117 -0.007 0.000 1.001 1424 I CA -0.788 60.504 61.300 -0.013 0.000 1.119 1424 I CB 1.334 39.319 38.000 -0.026 0.000 1.289 1424 I HN 0.165 nan 8.210 nan 0.000 0.438 1425 T N 1.985 116.536 114.554 -0.005 0.000 2.928 1425 T HA 0.021 4.371 4.350 0.000 0.000 0.305 1425 T C 1.167 175.865 174.700 -0.004 0.000 1.035 1425 T CA 0.221 62.321 62.100 -0.000 0.000 1.145 1425 T CB 0.776 69.644 68.868 -0.000 0.000 0.963 1425 T HN 0.874 nan 8.240 nan 0.000 0.545 1426 T N 0.799 115.357 114.554 0.006 0.000 3.072 1426 T HA 0.016 4.366 4.350 0.000 0.000 0.266 1426 T C 2.069 176.770 174.700 0.001 0.000 1.127 1426 T CA 1.339 63.444 62.100 0.007 0.000 1.107 1426 T CB -0.537 68.347 68.868 0.026 0.000 0.910 1426 T HN 0.744 nan 8.240 nan 0.000 0.513 1427 K N -0.796 119.606 120.400 0.002 0.000 2.323 1427 K HA 0.176 4.496 4.320 0.000 0.000 0.197 1427 K C 2.096 178.688 176.600 -0.014 0.000 1.043 1427 K CA 1.289 57.577 56.287 0.001 0.000 0.997 1427 K CB -1.622 30.884 32.500 0.009 0.000 0.807 1427 K HN 0.845 nan 8.250 nan 0.000 0.497 1428 H N 0.810 119.870 119.070 -0.017 0.000 2.462 1428 H HA 0.255 4.811 4.556 0.000 0.000 0.292 1428 H C 2.076 177.378 175.328 -0.043 0.000 1.049 1428 H CA 1.520 57.554 56.048 -0.023 0.000 1.334 1428 H CB -0.397 29.355 29.762 -0.018 0.000 1.404 1428 H HN 0.662 nan 8.280 nan 0.000 0.544 1429 I N -1.143 119.392 120.570 -0.057 0.000 3.059 1429 I HA 0.258 4.428 4.170 0.000 0.000 0.270 1429 I C 0.135 176.153 176.117 -0.165 0.000 1.238 1429 I CA 0.430 61.677 61.300 -0.088 0.000 1.478 1429 I CB 0.256 38.211 38.000 -0.075 0.000 1.097 1429 I HN 0.244 nan 8.210 nan 0.000 0.455 1464 W N 2.832 124.152 121.300 0.034 0.000 2.584 1464 W HA 0.191 4.851 4.660 0.000 0.000 0.264 1464 W C 0.970 177.514 176.519 0.041 0.000 1.264 1464 W CA 0.688 58.053 57.345 0.034 0.000 1.306 1464 W CB -0.761 28.707 29.460 0.015 0.000 1.110 1464 W HN 0.316 nan 8.180 nan 0.000 0.606 1465 I N 1.398 121.553 120.570 -0.692 0.000 2.353 1465 I HA -0.206 3.964 4.170 0.000 0.000 0.248 1465 I C 2.645 178.649 176.117 -0.188 0.000 1.119 1465 I CA 2.035 62.937 61.300 -0.664 0.000 1.417 1465 I CB -1.794 35.770 38.000 -0.727 0.000 1.078 1465 I HN -0.007 nan 8.210 nan 0.000 0.421 1466 H N 1.472 120.445 119.070 -0.161 0.000 2.387 1466 H HA -0.081 4.475 4.556 0.000 0.000 0.299 1466 H C 2.314 177.650 175.328 0.015 0.000 1.099 1466 H CA 1.790 57.820 56.048 -0.030 0.000 1.315 1466 H CB 0.038 29.773 29.762 -0.046 0.000 1.380 1466 H HN 0.187 nan 8.280 nan 0.000 0.513 1467 R N -0.896 119.598 120.500 -0.011 0.000 2.092 1467 R HA -0.076 4.264 4.340 0.000 0.000 0.231 1467 R C 2.179 178.473 176.300 -0.010 0.000 1.119 1467 R CA 1.338 57.433 56.100 -0.008 0.000 0.970 1467 R CB -0.024 30.345 30.300 0.116 0.000 0.864 1467 R HN 0.335 nan 8.270 nan 0.000 0.440 1468 M N 0.452 120.069 119.600 0.028 0.000 2.117 1468 M HA -0.113 4.367 4.480 0.000 0.000 0.262 1468 M C 2.283 178.573 176.300 -0.016 0.000 1.065 1468 M CA 1.528 56.851 55.300 0.038 0.000 1.114 1468 M CB -0.653 31.979 32.600 0.054 0.000 1.361 1468 M HN 0.135 nan 8.290 nan 0.000 0.408 1469 I N -0.304 120.237 120.570 -0.048 0.000 2.179 1469 I HA -0.330 3.840 4.170 0.000 0.000 0.242 1469 I C 2.434 178.525 176.117 -0.044 0.000 1.088 1469 I CA 1.038 62.325 61.300 -0.021 0.000 1.357 1469 I CB -0.343 37.688 38.000 0.051 0.000 1.051 1469 I HN 0.228 nan 8.210 nan 0.000 0.409 1470 M N 0.447 119.968 119.600 -0.133 0.000 2.108 1470 M HA -0.187 4.293 4.480 0.000 0.000 0.261 1470 M C 2.610 178.862 176.300 -0.081 0.000 1.066 1470 M CA 2.068 57.299 55.300 -0.115 0.000 1.107 1470 M CB -1.541 30.961 32.600 -0.164 0.000 1.356 1470 M HN 0.316 nan 8.290 nan 0.000 0.406 1471 A N 0.374 123.163 122.820 -0.052 0.000 1.865 1471 A HA -0.186 4.134 4.320 0.000 0.000 0.217 1471 A C 2.234 179.797 177.584 -0.036 0.000 1.191 1471 A CA 1.693 53.713 52.037 -0.028 0.000 0.623 1471 A CB -1.127 17.874 19.000 0.002 0.000 0.826 1471 A HN 0.425 nan 8.150 nan 0.000 0.444 1472 L N 0.059 121.264 121.223 -0.030 0.000 2.043 1472 L HA -0.153 4.187 4.340 0.000 0.000 0.212 1472 L C 2.374 179.214 176.870 -0.050 0.000 1.075 1472 L CA 2.084 56.908 54.840 -0.027 0.000 0.752 1472 L CB -0.626 41.421 42.059 -0.019 0.000 0.891 1472 L HN 0.168 nan 8.230 nan 0.000 0.432 1473 V N -1.263 118.592 119.914 -0.099 0.000 2.358 1473 V HA -0.224 3.896 4.120 0.000 0.000 0.246 1473 V C 2.553 178.509 176.094 -0.230 0.000 1.047 1473 V CA 1.753 63.925 62.300 -0.214 0.000 1.035 1473 V CB -0.537 31.053 31.823 -0.387 0.000 0.658 1473 V HN 0.491 nan 8.190 nan 0.000 0.452 1474 S N -0.023 115.573 115.700 -0.173 0.000 2.368 1474 S HA -0.210 4.260 4.470 0.000 0.000 0.225 1474 S C 1.721 176.299 174.600 -0.036 0.000 1.030 1474 S CA 1.570 59.706 58.200 -0.106 0.000 0.999 1474 S CB -0.400 62.768 63.200 -0.053 0.000 0.844 1474 S HN 0.633 nan 8.310 nan 0.000 0.459 1475 D N 1.228 121.613 120.400 -0.024 0.000 2.178 1475 D HA 0.004 4.644 4.640 0.000 0.000 0.202 1475 D C 1.768 178.083 176.300 0.026 0.000 0.974 1475 D CA 0.771 54.772 54.000 0.001 0.000 0.841 1475 D CB -0.351 40.447 40.800 -0.005 0.000 0.953 1475 D HN 0.258 nan 8.370 nan 0.000 0.478 1476 S N -0.323 115.405 115.700 0.045 0.000 2.555 1476 S HA 0.158 4.628 4.470 0.000 0.000 0.230 1476 S C 1.482 176.277 174.600 0.324 0.000 0.978 1476 S CA 0.643 58.929 58.200 0.143 0.000 0.934 1476 S CB 0.232 63.547 63.200 0.191 0.000 0.766 1476 S HN 0.423 nan 8.310 nan 0.000 0.533 1477 A N 0.192 123.136 122.820 0.206 0.000 3.396 1477 A HA -0.222 4.098 4.320 0.000 0.000 0.267 1477 A C 1.394 179.111 177.584 0.223 0.000 1.139 1477 A CA 1.143 53.342 52.037 0.270 0.000 1.115 1477 A CB -2.355 16.877 19.000 0.386 0.000 1.133 1477 A HN 0.481 nan 8.150 nan 0.000 0.920 1478 L N -2.121 119.134 121.223 0.053 0.000 1.997 1478 L HA 0.005 4.345 4.340 0.000 0.000 0.216 1478 L C 1.109 177.903 176.870 -0.128 0.000 1.074 1478 L CA 2.782 57.416 54.840 -0.342 0.000 0.763 1478 L CB -0.218 41.633 42.059 -0.346 0.000 0.890 1478 L HN 1.164 nan 8.230 nan 0.000 0.434 1479 F N -3.362 116.546 119.950 -0.069 0.000 2.703 1479 F HA 0.307 4.834 4.527 0.000 0.000 0.308 1479 F C -0.422 175.385 175.800 0.011 0.000 1.126 1479 F CA -2.133 55.841 58.000 -0.043 0.000 0.959 1479 F CB 0.129 39.096 39.000 -0.054 0.000 1.297 1479 F HN -0.160 nan 8.300 nan 0.000 0.441 1480 N N 0.671 119.542 118.700 0.285 0.000 2.353 1480 N HA 0.044 4.784 4.740 0.000 0.000 0.248 1480 N C 0.971 176.646 175.510 0.275 0.000 1.240 1480 N CA 1.098 54.265 53.050 0.195 0.000 0.862 1480 N CB 1.272 39.848 38.487 0.148 0.000 1.086 1480 N HN 0.949 nan 8.380 nan 0.000 0.453 1481 T N 1.289 115.931 114.554 0.147 0.000 3.160 1481 T HA 0.023 4.373 4.350 0.000 0.000 0.257 1481 T C 1.519 176.302 174.700 0.139 0.000 1.147 1481 T CA 1.580 63.767 62.100 0.144 0.000 1.064 1481 T CB -0.298 68.605 68.868 0.058 0.000 0.949 1481 T HN 0.625 nan 8.240 nan 0.000 0.526 1482 R N 0.780 121.356 120.500 0.125 0.000 2.437 1482 R HA 0.356 4.696 4.340 0.000 0.000 0.257 1482 R C 0.672 177.018 176.300 0.076 0.000 0.927 1482 R CA 0.431 56.583 56.100 0.087 0.000 1.078 1482 R CB -0.449 29.891 30.300 0.066 0.000 1.161 1482 R HN 0.876 nan 8.270 nan 0.000 0.529 1483 E N -0.172 120.086 120.200 0.096 0.000 2.313 1483 E HA 0.460 4.810 4.350 0.000 0.000 0.272 1483 E C 0.378 176.974 176.600 -0.007 0.000 1.038 1483 E CA -0.438 55.989 56.400 0.045 0.000 0.863 1483 E CB 1.295 31.024 29.700 0.049 0.000 1.060 1483 E HN 0.168 nan 8.360 nan 0.000 0.402 1484 G N 2.101 110.867 108.800 -0.056 0.000 2.349 1484 G HA2 -0.160 3.800 3.960 0.000 0.000 0.232 1484 G HA3 -0.160 3.800 3.960 0.000 0.000 0.232 1484 G C 0.651 175.492 174.900 -0.098 0.000 1.240 1484 G CA -0.464 44.572 45.100 -0.107 0.000 0.870 1484 G HN 0.637 nan 8.290 nan 0.000 0.528 1485 R N 1.621 122.086 120.500 -0.057 0.000 2.334 1485 R HA 0.295 4.635 4.340 0.000 0.000 0.220 1485 R C 0.959 177.270 176.300 0.019 0.000 0.917 1485 R CA 0.456 56.555 56.100 -0.002 0.000 1.073 1485 R CB -0.672 29.652 30.300 0.040 0.000 1.056 1485 R HN 0.454 nan 8.270 nan 0.000 0.506 1486 A N 1.063 123.863 122.820 -0.033 0.000 2.257 1486 A HA 0.622 4.942 4.320 0.000 0.000 0.290 1486 A C 0.385 177.984 177.584 0.025 0.000 1.201 1486 A CA -0.035 52.000 52.037 -0.003 0.000 0.863 1486 A CB -0.068 18.909 19.000 -0.040 0.000 1.256 1486 A HN 0.288 nan 8.150 nan 0.000 0.506 1487 G N -0.890 107.949 108.800 0.065 0.000 2.483 1487 G HA2 0.478 4.438 3.960 0.000 0.000 0.248 1487 G HA3 0.478 4.438 3.960 0.000 0.000 0.248 1487 G C -0.299 174.716 174.900 0.192 0.000 1.248 1487 G CA -0.115 45.063 45.100 0.131 0.000 0.838 1487 G HN 0.810 nan 8.290 nan 0.000 0.566 1488 K N 0.391 120.915 120.400 0.207 0.000 2.535 1488 K HA 0.582 4.902 4.320 0.000 0.000 0.251 1488 K C -1.767 174.878 176.600 0.075 0.000 0.942 1488 K CA -0.660 55.736 56.287 0.183 0.000 0.798 1488 K CB 2.537 35.137 32.500 0.166 0.000 1.267 1488 K HN 0.482 nan 8.250 nan 0.000 0.434 1489 V N 2.796 122.722 119.914 0.020 0.000 3.188 1489 V HA 0.401 4.521 4.120 0.000 0.000 0.305 1489 V C -1.108 174.927 176.094 -0.098 0.000 1.232 1489 V CA -0.815 61.415 62.300 -0.116 0.000 1.043 1489 V CB 2.052 33.773 31.823 -0.170 0.000 1.068 1489 V HN 0.916 nan 8.190 nan 0.000 0.439 1490 H N 2.679 121.743 119.070 -0.009 0.000 3.001 1490 H HA 0.021 4.577 4.556 0.000 0.000 0.334 1490 H C 0.488 175.839 175.328 0.039 0.000 1.034 1490 H CA 0.893 56.974 56.048 0.054 0.000 1.420 1490 H CB 0.110 29.967 29.762 0.157 0.000 1.405 1490 H HN 0.676 nan 8.280 nan 0.000 0.593 1491 N N 3.449 122.222 118.700 0.121 0.000 2.406 1491 N HA -0.043 4.697 4.740 0.000 0.000 0.265 1491 N C 0.828 176.293 175.510 -0.076 0.000 1.203 1491 N CA -0.485 52.501 53.050 -0.106 0.000 0.945 1491 N CB 0.189 38.601 38.487 -0.125 0.000 1.165 1491 N HN 0.439 nan 8.380 nan 0.000 0.485 1492 F N 3.408 123.307 119.950 -0.084 0.000 2.771 1492 F HA 0.153 4.680 4.527 0.000 0.000 0.299 1492 F C 1.058 176.660 175.800 -0.331 0.000 1.177 1492 F CA 0.008 57.766 58.000 -0.402 0.000 1.450 1492 F CB -0.034 38.486 39.000 -0.800 0.000 1.114 1492 F HN 0.412 nan 8.300 nan 0.000 0.587 1493 M N 0.748 120.118 119.600 -0.383 0.000 2.371 1493 M HA 0.246 4.726 4.480 0.000 0.000 0.246 1493 M C 0.525 176.794 176.300 -0.052 0.000 1.103 1493 M CA -0.113 55.075 55.300 -0.186 0.000 1.010 1493 M CB -0.145 32.249 32.600 -0.344 0.000 1.457 1493 M HN 0.179 nan 8.290 nan 0.000 0.486 1494 L N 2.017 123.252 121.223 0.019 0.000 2.628 1494 L HA -0.008 4.332 4.340 0.000 0.000 0.274 1494 L C 1.121 178.114 176.870 0.205 0.000 1.209 1494 L CA 1.166 56.086 54.840 0.133 0.000 0.930 1494 L CB 0.032 42.223 42.059 0.220 0.000 1.183 1494 L HN 0.765 nan 8.230 nan 0.000 0.492 1495 G N 3.813 112.710 108.800 0.162 0.000 2.148 1495 G HA2 -0.286 3.674 3.960 0.000 0.000 0.254 1495 G HA3 -0.286 3.674 3.960 0.000 0.000 0.254 1495 G C 0.200 175.052 174.900 -0.081 0.000 0.981 1495 G CA 0.084 45.238 45.100 0.090 0.000 0.670 1495 G HN 0.510 nan 8.290 nan 0.000 0.528 1496 L N 0.536 121.732 121.223 -0.045 0.000 2.397 1496 L HA 0.472 4.812 4.340 0.000 0.000 0.271 1496 L C 1.516 178.329 176.870 -0.095 0.000 1.148 1496 L CA 0.109 54.904 54.840 -0.075 0.000 0.825 1496 L CB 0.017 42.054 42.059 -0.037 0.000 1.117 1496 L HN 0.516 nan 8.230 nan 0.000 0.456 1540 V N 0.620 120.493 119.914 -0.069 0.000 3.621 1540 V HA 0.245 4.365 4.120 0.000 0.000 0.263 1540 V C 2.332 178.420 176.094 -0.010 0.000 1.272 1540 V CA 1.670 63.937 62.300 -0.055 0.000 1.080 1540 V CB 1.083 32.871 31.823 -0.058 0.000 0.816 1540 V HN 0.278 nan 8.190 nan 0.000 0.451 1541 K N 0.716 121.112 120.400 -0.007 0.000 2.054 1541 K HA 0.125 4.445 4.320 0.000 0.000 0.207 1541 K C 1.278 177.887 176.600 0.014 0.000 1.031 1541 K CA 0.935 57.230 56.287 0.014 0.000 0.952 1541 K CB -0.982 31.523 32.500 0.009 0.000 0.775 1541 K HN 0.583 nan 8.250 nan 0.000 0.447 1542 S N 1.444 117.143 115.700 -0.002 0.000 2.643 1542 S HA -0.022 4.448 4.470 0.000 0.000 0.310 1542 S C 0.671 175.271 174.600 -0.001 0.000 1.253 1542 S CA 0.426 58.621 58.200 -0.008 0.000 1.047 1542 S CB 0.556 63.737 63.200 -0.030 0.000 0.767 1542 S HN 0.456 nan 8.310 nan 0.000 0.498 1543 K N 1.494 121.903 120.400 0.015 0.000 2.305 1543 K HA 0.083 4.403 4.320 0.000 0.000 0.199 1543 K C 0.299 176.941 176.600 0.071 0.000 1.047 1543 K CA 0.796 57.114 56.287 0.052 0.000 0.976 1543 K CB 0.036 32.576 32.500 0.066 0.000 0.765 1543 K HN 0.571 nan 8.250 nan 0.000 0.474 1544 K N 0.954 121.356 120.400 0.003 0.000 2.477 1544 K HA 0.450 4.770 4.320 0.000 0.000 0.255 1544 K C -0.695 175.832 176.600 -0.122 0.000 0.952 1544 K CA -0.704 55.565 56.287 -0.029 0.000 0.826 1544 K CB 2.461 34.937 32.500 -0.040 0.000 1.331 1544 K HN -0.047 nan 8.250 nan 0.000 0.437 1545 I N -1.852 118.660 120.570 -0.097 0.000 2.740 1545 I HA 0.474 4.644 4.170 0.000 0.000 0.303 1545 I C -0.893 175.231 176.117 0.012 0.000 1.044 1545 I CA -1.019 60.240 61.300 -0.068 0.000 1.064 1545 I CB 1.839 39.847 38.000 0.013 0.000 1.249 1545 I HN 0.543 nan 8.210 nan 0.000 0.433 1546 H N 3.296 122.461 119.070 0.160 0.000 2.519 1546 H HA 0.567 5.123 4.556 0.000 0.000 0.316 1546 H C -0.635 174.795 175.328 0.170 0.000 1.065 1546 H CA -0.967 55.152 56.048 0.118 0.000 1.264 1546 H CB 1.876 31.668 29.762 0.050 0.000 1.413 1546 H HN 0.565 nan 8.280 nan 0.000 0.465 1547 V N 2.737 122.836 119.914 0.309 0.000 2.409 1547 V HA 0.598 4.718 4.120 0.000 0.000 0.291 1547 V C 0.076 176.267 176.094 0.160 0.000 1.020 1547 V CA -0.852 61.614 62.300 0.276 0.000 0.848 1547 V CB 0.804 32.863 31.823 0.392 0.000 0.990 1547 V HN 0.543 nan 8.190 nan 0.000 0.430 1548 V N 0.683 120.651 119.914 0.091 0.000 3.155 1548 V HA 0.658 4.778 4.120 0.000 0.000 0.313 1548 V C -0.160 175.924 176.094 -0.017 0.000 1.162 1548 V CA -0.675 61.641 62.300 0.026 0.000 1.048 1548 V CB 2.026 33.840 31.823 -0.015 0.000 1.092 1548 V HN 0.877 nan 8.190 nan 0.000 0.447 1549 D N 1.331 121.720 120.400 -0.017 0.000 2.520 1549 D HA 0.069 4.709 4.640 0.000 0.000 0.243 1549 D C 1.283 177.473 176.300 -0.184 0.000 1.160 1549 D CA 0.930 54.908 54.000 -0.038 0.000 0.877 1549 D CB 1.522 42.320 40.800 -0.003 0.000 1.150 1549 D HN 0.701 nan 8.370 nan 0.000 0.494 1550 S N 2.578 118.103 115.700 -0.291 0.000 2.442 1550 S HA -0.107 4.363 4.470 0.000 0.000 0.236 1550 S C 1.954 176.292 174.600 -0.437 0.000 1.007 1550 S CA 0.847 58.667 58.200 -0.633 0.000 0.965 1550 S CB 0.018 62.678 63.200 -0.900 0.000 0.773 1550 S HN 0.726 nan 8.310 nan 0.000 0.504 1551 G N 1.375 110.038 108.800 -0.228 0.000 2.479 1551 G HA2 -0.162 3.798 3.960 0.000 0.000 0.220 1551 G HA3 -0.162 3.798 3.960 0.000 0.000 0.220 1551 G C 1.098 175.919 174.900 -0.132 0.000 1.115 1551 G CA 0.534 45.548 45.100 -0.143 0.000 0.757 1551 G HN 0.420 nan 8.290 nan 0.000 0.560 1552 L N 0.902 122.031 121.223 -0.157 0.000 2.353 1552 L HA 0.041 4.381 4.340 0.000 0.000 0.220 1552 L C 2.718 179.542 176.870 -0.077 0.000 1.133 1552 L CA 1.738 56.509 54.840 -0.114 0.000 0.798 1552 L CB -0.309 41.682 42.059 -0.112 0.000 0.922 1552 L HN 0.197 nan 8.230 nan 0.000 0.445 1553 T N -1.586 112.905 114.554 -0.105 0.000 3.156 1553 T HA 0.273 4.623 4.350 0.000 0.000 0.236 1553 T C -0.014 174.825 174.700 0.232 0.000 0.978 1553 T CA 0.303 62.427 62.100 0.041 0.000 1.240 1553 T CB 0.134 69.008 68.868 0.010 0.000 0.951 1553 T HN 0.095 nan 8.240 nan 0.000 0.420 1554 F N -0.819 119.169 119.950 0.064 0.000 2.665 1554 F HA 0.537 5.064 4.527 0.000 0.000 0.308 1554 F C 0.062 175.917 175.800 0.092 0.000 1.112 1554 F CA -1.322 56.713 58.000 0.057 0.000 0.972 1554 F CB 0.833 39.856 39.000 0.038 0.000 1.295 1554 F HN -0.190 nan 8.300 nan 0.000 0.440 1555 N N 0.785 119.623 118.700 0.231 0.000 2.571 1555 N HA 0.127 4.867 4.740 0.000 0.000 0.189 1555 N C -0.612 174.993 175.510 0.158 0.000 1.154 1555 N CA 0.295 53.423 53.050 0.130 0.000 0.907 1555 N CB 0.189 38.732 38.487 0.093 0.000 0.977 1555 N HN 0.458 nan 8.380 nan 0.000 0.449 1556 L N 1.634 123.044 121.223 0.311 0.000 2.305 1556 L HA 0.358 4.698 4.340 0.000 0.000 0.284 1556 L C -1.878 175.115 176.870 0.205 0.000 1.013 1556 L CA -1.795 53.203 54.840 0.263 0.000 0.819 1556 L CB 1.984 44.309 42.059 0.444 0.000 1.227 1556 L HN -0.133 nan 8.230 nan 0.000 0.417 1557 P HA -0.088 nan 4.420 nan 0.000 0.286 1557 P C 0.627 177.750 177.300 -0.295 0.000 1.577 1557 P CA 0.267 63.291 63.100 -0.128 0.000 0.805 1557 P CB -0.158 31.474 31.700 -0.113 0.000 1.706 1558 Y N 1.307 121.492 120.300 -0.192 0.000 2.151 1558 Y HA -0.175 4.375 4.550 0.000 0.000 0.284 1558 Y C -0.143 175.572 175.900 -0.309 0.000 1.166 1558 Y CA 2.153 60.164 58.100 -0.148 0.000 1.163 1558 Y CB -2.404 36.078 38.460 0.037 0.000 0.974 1558 Y HN 0.244 nan 8.280 nan 0.000 0.511 1559 P HA -0.240 nan 4.420 nan 0.000 0.216 1559 P C 1.512 178.668 177.300 -0.239 0.000 1.154 1559 P CA 1.703 64.399 63.100 -0.673 0.000 0.865 1559 P CB -0.142 30.603 31.700 -1.592 0.000 0.789 1560 L N -2.256 118.828 121.223 -0.231 0.000 2.191 1560 L HA -0.143 4.197 4.340 0.000 0.000 0.212 1560 L C 1.957 178.725 176.870 -0.170 0.000 1.103 1560 L CA 1.091 55.850 54.840 -0.135 0.000 0.769 1560 L CB -0.369 41.604 42.059 -0.143 0.000 0.908 1560 L HN -0.019 nan 8.230 nan 0.000 0.438 1561 I N -1.656 118.819 120.570 -0.158 0.000 4.082 1561 I HA 0.004 4.174 4.170 0.000 0.000 0.337 1561 I C 1.203 177.309 176.117 -0.018 0.000 1.352 1561 I CA 0.479 61.694 61.300 -0.143 0.000 1.097 1561 I CB 0.717 38.623 38.000 -0.157 0.000 1.048 1561 I HN 0.009 nan 8.210 nan 0.000 0.393 1562 L N 0.082 121.337 121.223 0.055 0.000 2.585 1562 L HA 0.279 4.619 4.340 0.000 0.000 0.226 1562 L C 1.259 178.200 176.870 0.118 0.000 1.113 1562 L CA 0.328 55.257 54.840 0.149 0.000 0.876 1562 L CB -0.540 41.696 42.059 0.296 0.000 1.072 1562 L HN 0.041 nan 8.230 nan 0.000 0.468 1563 R N 1.941 122.485 120.500 0.074 0.000 2.507 1563 R HA -0.029 4.311 4.340 0.000 0.000 0.341 1563 R C -1.257 175.079 176.300 0.060 0.000 0.960 1563 R CA -0.663 55.480 56.100 0.073 0.000 1.032 1563 R CB 0.466 30.793 30.300 0.045 0.000 0.933 1563 R HN 0.041 nan 8.270 nan 0.000 0.418 1564 P HA -0.262 nan 4.420 nan 0.000 0.219 1564 P C 0.402 177.737 177.300 0.059 0.000 1.158 1564 P CA 1.600 64.736 63.100 0.061 0.000 0.895 1564 P CB 0.187 31.920 31.700 0.055 0.000 0.792 1565 Q N -0.766 119.069 119.800 0.059 0.000 2.368 1565 Q HA -0.104 4.236 4.340 0.000 0.000 0.210 1565 Q C 2.192 178.233 176.000 0.070 0.000 0.982 1565 Q CA 1.183 57.021 55.803 0.059 0.000 0.884 1565 Q CB -0.672 28.096 28.738 0.051 0.000 0.933 1565 Q HN 0.380 nan 8.270 nan 0.000 0.460 1566 R N -0.567 119.971 120.500 0.063 0.000 2.297 1566 R HA 0.120 4.460 4.340 0.000 0.000 0.197 1566 R C 0.655 177.040 176.300 0.142 0.000 0.943 1566 R CA 0.463 56.628 56.100 0.109 0.000 1.038 1566 R CB 0.044 30.338 30.300 -0.010 0.000 0.957 1566 R HN 0.274 nan 8.270 nan 0.000 0.484 1567 G N 2.436 111.294 108.800 0.097 0.000 2.424 1567 G HA2 -0.259 3.701 3.960 0.000 0.000 0.290 1567 G HA3 -0.259 3.701 3.960 0.000 0.000 0.290 1567 G C 0.075 175.039 174.900 0.105 0.000 0.912 1567 G CA 0.790 45.943 45.100 0.088 0.000 1.142 1567 G HN 0.281 nan 8.290 nan 0.000 0.501 1568 V N -0.071 119.909 119.914 0.110 0.000 2.406 1568 V HA 0.526 4.646 4.120 0.000 0.000 0.272 1568 V C 1.006 177.147 176.094 0.079 0.000 1.043 1568 V CA 0.078 62.451 62.300 0.122 0.000 0.915 1568 V CB 1.260 33.170 31.823 0.145 0.000 0.988 1568 V HN 0.449 nan 8.190 nan 0.000 0.466 1569 D N 4.879 125.320 120.400 0.068 0.000 2.389 1569 D HA 0.077 4.717 4.640 0.000 0.000 0.206 1569 D C 0.168 176.490 176.300 0.037 0.000 1.055 1569 D CA -0.029 53.996 54.000 0.043 0.000 0.856 1569 D CB 0.961 41.782 40.800 0.034 0.000 0.957 1569 D HN 0.466 nan 8.370 nan 0.000 0.509 1570 L N 1.248 122.502 121.223 0.052 0.000 2.441 1570 L HA 0.440 4.780 4.340 0.000 0.000 0.270 1570 L C -1.663 175.246 176.870 0.065 0.000 0.973 1570 L CA -0.755 54.115 54.840 0.051 0.000 0.842 1570 L CB 1.818 43.906 42.059 0.049 0.000 1.239 1570 L HN -0.123 nan 8.230 nan 0.000 0.406 1571 I N 6.534 127.140 120.570 0.059 0.000 2.354 1571 I HA 0.391 4.561 4.170 0.000 0.000 0.286 1571 I C -0.588 175.569 176.117 0.067 0.000 1.007 1571 I CA -0.587 60.746 61.300 0.055 0.000 1.167 1571 I CB 1.404 39.432 38.000 0.047 0.000 1.320 1571 I HN 0.381 nan 8.210 nan 0.000 0.458 1572 I N 5.656 126.268 120.570 0.070 0.000 2.310 1572 I HA 0.212 4.382 4.170 0.000 0.000 0.287 1572 I C 0.552 176.630 176.117 -0.065 0.000 1.073 1572 I CA -0.155 61.169 61.300 0.039 0.000 1.216 1572 I CB 0.416 38.476 38.000 0.101 0.000 1.415 1572 I HN 0.522 nan 8.210 nan 0.000 0.480 1573 S N 5.542 121.169 115.700 -0.123 0.000 2.525 1573 S HA 0.732 5.202 4.470 0.000 0.000 0.290 1573 S C -0.800 173.513 174.600 -0.478 0.000 1.152 1573 S CA -0.526 57.574 58.200 -0.166 0.000 1.072 1573 S CB 1.408 64.594 63.200 -0.024 0.000 1.027 1573 S HN 0.252 nan 8.310 nan 0.000 0.500 1574 F N 1.513 121.345 119.950 -0.197 0.000 2.366 1574 F HA 0.351 4.878 4.527 0.000 0.000 0.366 1574 F C 0.303 175.641 175.800 -0.772 0.000 1.096 1574 F CA -0.928 56.804 58.000 -0.448 0.000 1.060 1574 F CB 1.093 39.870 39.000 -0.373 0.000 1.282 1574 F HN 0.583 nan 8.300 nan 0.000 0.450 1575 D N 2.936 122.981 120.400 -0.591 0.000 2.295 1575 D HA 0.200 4.840 4.640 0.000 0.000 0.248 1575 D C -0.153 175.846 176.300 -0.501 0.000 1.154 1575 D CA -0.002 53.742 54.000 -0.426 0.000 0.857 1575 D CB 0.546 41.181 40.800 -0.276 0.000 1.117 1575 D HN 0.368 nan 8.370 nan 0.000 0.468 1576 F N 1.062 121.035 119.950 0.039 0.000 2.668 1576 F HA 0.193 4.720 4.527 0.000 0.000 0.301 1576 F C 1.265 177.132 175.800 0.111 0.000 1.106 1576 F CA -0.559 57.490 58.000 0.081 0.000 1.289 1576 F CB 0.372 39.395 39.000 0.039 0.000 1.006 1576 F HN 0.089 nan 8.300 nan 0.000 0.535 1577 S N 1.340 117.135 115.700 0.158 0.000 2.566 1577 S HA 0.387 4.857 4.470 0.000 0.000 0.280 1577 S C 0.564 175.165 174.600 0.003 0.000 1.343 1577 S CA -0.474 57.771 58.200 0.076 0.000 1.036 1577 S CB 0.679 63.886 63.200 0.011 0.000 0.866 1577 S HN 0.304 nan 8.310 nan 0.000 0.526 1578 A N 2.790 125.541 122.820 -0.115 0.000 2.371 1578 A HA 0.602 4.922 4.320 0.000 0.000 0.257 1578 A C 0.358 177.539 177.584 -0.672 0.000 1.089 1578 A CA -0.239 51.503 52.037 -0.491 0.000 0.794 1578 A CB 0.341 19.210 19.000 -0.217 0.000 1.029 1578 A HN 0.798 nan 8.150 nan 0.000 0.488 1579 R N 1.229 121.005 120.500 -1.206 0.000 2.854 1579 R HA 0.456 4.796 4.340 0.000 0.000 0.271 1579 R C -1.990 174.033 176.300 -0.461 0.000 0.994 1579 R CA -1.636 54.064 56.100 -0.666 0.000 0.945 1579 R CB 1.618 31.593 30.300 -0.542 0.000 1.194 1579 R HN 0.443 nan 8.270 nan 0.000 0.476 1580 P HA -0.042 nan 4.420 nan 0.000 0.215 1580 P C -0.509 176.790 177.300 -0.001 0.000 1.157 1580 P CA 1.166 64.213 63.100 -0.088 0.000 0.868 1580 P CB 0.397 32.062 31.700 -0.057 0.000 0.788 1581 S N -2.338 113.373 115.700 0.020 0.000 2.607 1581 S HA 0.154 4.624 4.470 0.000 0.000 0.273 1581 S C -0.056 174.658 174.600 0.191 0.000 1.148 1581 S CA -0.550 57.731 58.200 0.136 0.000 0.833 1581 S CB 1.264 64.529 63.200 0.107 0.000 1.130 1581 S HN -0.134 nan 8.310 nan 0.000 0.470 1582 D N 1.341 121.897 120.400 0.260 0.000 2.271 1582 D HA -0.107 4.533 4.640 0.000 0.000 0.207 1582 D C 1.834 178.247 176.300 0.188 0.000 0.983 1582 D CA 1.803 55.958 54.000 0.259 0.000 0.878 1582 D CB 0.138 41.050 40.800 0.186 0.000 0.920 1582 D HN 0.421 nan 8.370 nan 0.000 0.479 1583 S N -0.610 115.190 115.700 0.167 0.000 2.357 1583 S HA 0.005 4.475 4.470 0.000 0.000 0.209 1583 S C 0.900 175.622 174.600 0.203 0.000 1.023 1583 S CA 0.142 58.475 58.200 0.222 0.000 0.933 1583 S CB -0.700 62.627 63.200 0.211 0.000 0.897 1583 S HN 0.182 nan 8.310 nan 0.000 0.529 1584 S N 3.952 119.724 115.700 0.119 0.000 2.963 1584 S HA -0.018 4.452 4.470 0.000 0.000 0.360 1584 S C -2.500 171.808 174.600 -0.487 0.000 1.198 1584 S CA -0.229 57.947 58.200 -0.039 0.000 0.962 1584 S CB -1.418 61.746 63.200 -0.060 0.000 0.628 1584 S HN 0.610 nan 8.310 nan 0.000 0.446 1585 P HA 0.065 nan 4.420 nan 0.000 0.259 1585 P C -2.022 174.819 177.300 -0.764 0.000 1.163 1585 P CA -0.728 61.748 63.100 -1.040 0.000 0.760 1585 P CB -0.131 31.325 31.700 -0.406 0.000 0.762 1586 P HA 0.235 nan 4.420 nan 0.000 0.266 1586 P C -0.256 176.643 177.300 -0.669 0.000 1.561 1586 P CA -0.116 62.552 63.100 -0.719 0.000 1.089 1586 P CB -0.012 31.277 31.700 -0.685 0.000 1.534 1587 F N -0.259 119.510 119.950 -0.301 0.000 2.654 1587 F HA 0.367 4.894 4.527 0.000 0.000 0.303 1587 F C 2.123 177.765 175.800 -0.263 0.000 1.099 1587 F CA -0.520 57.291 58.000 -0.316 0.000 1.270 1587 F CB 0.095 38.867 39.000 -0.380 0.000 1.024 1587 F HN -0.170 nan 8.300 nan 0.000 0.548 1588 K N 0.875 121.226 120.400 -0.082 0.000 2.020 1588 K HA -0.204 4.116 4.320 0.000 0.000 0.212 1588 K C 1.744 178.291 176.600 -0.089 0.000 1.050 1588 K CA 1.909 58.140 56.287 -0.094 0.000 0.929 1588 K CB 0.110 32.548 32.500 -0.103 0.000 0.714 1588 K HN 0.090 nan 8.250 nan 0.000 0.443 1589 E N 0.939 121.114 120.200 -0.043 0.000 2.106 1589 E HA -0.166 4.184 4.350 0.000 0.000 0.192 1589 E C 2.073 178.632 176.600 -0.068 0.000 0.984 1589 E CA 0.619 57.019 56.400 -0.001 0.000 0.806 1589 E CB -0.242 29.513 29.700 0.092 0.000 0.750 1589 E HN 0.395 nan 8.360 nan 0.000 0.458 1590 L N 0.565 121.742 121.223 -0.077 0.000 2.083 1590 L HA -0.151 4.189 4.340 0.000 0.000 0.209 1590 L C 2.331 178.973 176.870 -0.380 0.000 1.083 1590 L CA 0.896 55.613 54.840 -0.205 0.000 0.752 1590 L CB -0.165 41.682 42.059 -0.354 0.000 0.899 1590 L HN 0.156 nan 8.230 nan 0.000 0.433 1591 L N -0.839 120.186 121.223 -0.330 0.000 2.141 1591 L HA -0.230 4.110 4.340 0.000 0.000 0.209 1591 L C 2.440 179.053 176.870 -0.428 0.000 1.094 1591 L CA 0.798 55.416 54.840 -0.370 0.000 0.763 1591 L CB -0.250 41.649 42.059 -0.267 0.000 0.908 1591 L HN 0.304 nan 8.230 nan 0.000 0.437 1592 L N -0.613 120.362 121.223 -0.414 0.000 2.109 1592 L HA -0.134 4.206 4.340 0.000 0.000 0.207 1592 L C 2.825 179.137 176.870 -0.931 0.000 1.086 1592 L CA 0.987 55.526 54.840 -0.503 0.000 0.760 1592 L CB -0.555 41.306 42.059 -0.329 0.000 0.910 1592 L HN 0.218 nan 8.230 nan 0.000 0.437 1593 A N -0.133 122.018 122.820 -1.114 0.000 1.930 1593 A HA -0.251 4.069 4.320 0.000 0.000 0.217 1593 A C 2.235 179.125 177.584 -1.157 0.000 1.175 1593 A CA 1.777 53.012 52.037 -1.336 0.000 0.627 1593 A CB -0.442 18.073 19.000 -0.808 0.000 0.815 1593 A HN 0.499 nan 8.150 nan 0.000 0.443 1594 E N 0.129 119.574 120.200 -1.258 0.000 2.106 1594 E HA -0.256 4.094 4.350 0.000 0.000 0.192 1594 E C 1.965 178.123 176.600 -0.736 0.000 0.984 1594 E CA 1.546 57.097 56.400 -1.414 0.000 0.806 1594 E CB -0.135 28.989 29.700 -0.959 0.000 0.750 1594 E HN 0.569 nan 8.360 nan 0.000 0.458 1595 K N 0.187 120.265 120.400 -0.537 0.000 2.026 1595 K HA -0.211 4.109 4.320 0.000 0.000 0.208 1595 K C 1.852 178.277 176.600 -0.291 0.000 1.048 1595 K CA 1.744 57.822 56.287 -0.347 0.000 0.929 1595 K CB -0.724 31.607 32.500 -0.282 0.000 0.713 1595 K HN 0.341 nan 8.250 nan 0.000 0.439 1596 W N 0.898 121.898 121.300 -0.500 0.000 2.338 1596 W HA -0.192 4.468 4.660 0.000 0.000 0.304 1596 W C 1.955 178.296 176.519 -0.297 0.000 1.212 1596 W CA 2.532 59.669 57.345 -0.347 0.000 1.264 1596 W CB -0.446 28.811 29.460 -0.337 0.000 1.142 1596 W HN 0.230 nan 8.180 nan 0.000 0.512 1597 A N 0.604 123.331 122.820 -0.154 0.000 1.969 1597 A HA -0.131 4.189 4.320 0.000 0.000 0.218 1597 A C 1.968 179.383 177.584 -0.281 0.000 1.169 1597 A CA 2.915 54.833 52.037 -0.198 0.000 0.635 1597 A CB -1.356 17.551 19.000 -0.155 0.000 0.810 1597 A HN 0.293 nan 8.150 nan 0.000 0.445 1598 K N -0.611 119.621 120.400 -0.281 0.000 2.062 1598 K HA 0.111 4.431 4.320 0.000 0.000 0.205 1598 K C 2.061 178.520 176.600 -0.236 0.000 1.051 1598 K CA 1.539 57.700 56.287 -0.211 0.000 0.941 1598 K CB -0.784 31.605 32.500 -0.184 0.000 0.719 1598 K HN 0.558 nan 8.250 nan 0.000 0.440 1599 M N 0.957 120.375 119.600 -0.303 0.000 2.082 1599 M HA -0.182 4.298 4.480 0.000 0.000 0.258 1599 M C 0.796 176.886 176.300 -0.351 0.000 1.069 1599 M CA 2.183 57.302 55.300 -0.302 0.000 1.102 1599 M CB -0.121 32.260 32.600 -0.365 0.000 1.336 1599 M HN 0.513 nan 8.290 nan 0.000 0.404 1600 N N 0.274 118.637 118.700 -0.560 0.000 2.268 1600 N HA 0.103 4.843 4.740 0.000 0.000 0.204 1600 N C 0.184 175.511 175.510 -0.305 0.000 1.124 1600 N CA 0.762 53.507 53.050 -0.509 0.000 0.838 1600 N CB 0.255 38.207 38.487 -0.891 0.000 0.994 1600 N HN 0.339 nan 8.380 nan 0.000 0.489 1601 K N -0.120 120.140 120.400 -0.232 0.000 3.069 1601 K HA -0.180 4.140 4.320 0.000 0.000 0.267 1601 K C -0.303 176.241 176.600 -0.094 0.000 1.082 1601 K CA 1.025 57.232 56.287 -0.133 0.000 0.782 1601 K CB -2.621 29.824 32.500 -0.092 0.000 1.230 1601 K HN 0.114 nan 8.250 nan 0.000 0.488 1602 L N -0.609 120.553 121.223 -0.101 0.000 2.322 1602 L HA 0.558 4.898 4.340 0.000 0.000 0.279 1602 L C -2.035 174.869 176.870 0.057 0.000 1.036 1602 L CA -2.559 52.279 54.840 -0.004 0.000 0.807 1602 L CB 1.235 43.323 42.059 0.047 0.000 1.226 1602 L HN 0.069 nan 8.230 nan 0.000 0.433 1603 P HA 0.142 nan 4.420 nan 0.000 0.265 1603 P C -1.168 176.230 177.300 0.163 0.000 1.193 1603 P CA 0.440 63.589 63.100 0.082 0.000 0.765 1603 P CB 0.252 31.980 31.700 0.048 0.000 0.823 1604 F N 4.130 124.047 119.950 -0.054 0.000 2.623 1604 F HA 0.344 4.871 4.527 0.000 0.000 0.323 1604 F C -2.419 173.322 175.800 -0.098 0.000 1.158 1604 F CA -2.158 55.787 58.000 -0.092 0.000 1.030 1604 F CB 1.871 40.778 39.000 -0.156 0.000 1.280 1604 F HN 0.227 nan 8.300 nan 0.000 0.474 1605 P HA 0.184 nan 4.420 nan 0.000 0.268 1605 P C -0.904 176.385 177.300 -0.017 0.000 1.205 1605 P CA -0.260 62.775 63.100 -0.109 0.000 0.771 1605 P CB 0.554 32.166 31.700 -0.147 0.000 0.858 1606 K N 3.764 124.168 120.400 0.007 0.000 2.484 1606 K HA 0.109 4.429 4.320 0.000 0.000 0.280 1606 K C 0.333 176.906 176.600 -0.046 0.000 1.013 1606 K CA 0.049 56.333 56.287 -0.005 0.000 1.029 1606 K CB -0.502 32.002 32.500 0.006 0.000 0.902 1606 K HN 0.415 nan 8.250 nan 0.000 0.481 1607 I N 3.242 123.713 120.570 -0.164 0.000 2.307 1607 I HA 0.168 4.338 4.170 0.000 0.000 0.289 1607 I C -0.274 175.701 176.117 -0.237 0.000 1.021 1607 I CA -0.954 60.104 61.300 -0.403 0.000 1.224 1607 I CB 1.018 38.649 38.000 -0.615 0.000 1.376 1607 I HN 0.804 nan 8.210 nan 0.000 0.470 1608 D N 9.867 130.237 120.400 -0.050 0.000 2.467 1608 D HA 0.298 4.938 4.640 0.000 0.000 0.220 1608 D C -1.286 174.953 176.300 -0.102 0.000 1.103 1608 D CA -1.940 52.054 54.000 -0.010 0.000 0.886 1608 D CB 1.512 42.375 40.800 0.105 0.000 1.025 1608 D HN 0.231 nan 8.370 nan 0.000 0.514 1609 P HA -0.216 nan 4.420 nan 0.000 0.218 1609 P C 0.870 178.159 177.300 -0.017 0.000 1.148 1609 P CA 0.952 63.916 63.100 -0.227 0.000 0.822 1609 P CB 0.004 31.527 31.700 -0.295 0.000 0.784 1610 Y N 0.107 120.469 120.300 0.104 0.000 2.556 1610 Y HA -0.103 4.447 4.550 0.000 0.000 0.290 1610 Y C 2.476 178.474 175.900 0.164 0.000 1.149 1610 Y CA 0.382 58.560 58.100 0.129 0.000 1.329 1610 Y CB -1.504 36.995 38.460 0.065 0.000 0.975 1610 Y HN -0.201 nan 8.280 nan 0.000 0.561 1611 V N -0.577 119.512 119.914 0.291 0.000 2.867 1611 V HA -0.305 3.815 4.120 0.000 0.000 0.260 1611 V C 2.053 178.416 176.094 0.448 0.000 1.099 1611 V CA 1.620 64.094 62.300 0.290 0.000 1.122 1611 V CB -0.980 30.968 31.823 0.209 0.000 0.708 1611 V HN 0.460 nan 8.190 nan 0.000 0.490 1612 F N 1.687 121.854 119.950 0.362 0.000 2.094 1612 F HA -0.139 4.388 4.527 0.000 0.000 0.291 1612 F C 2.141 178.072 175.800 0.219 0.000 1.109 1612 F CA 1.965 60.159 58.000 0.324 0.000 1.221 1612 F CB -0.083 39.054 39.000 0.229 0.000 1.014 1612 F HN 0.212 nan 8.300 nan 0.000 0.473 1613 D N 0.203 120.642 120.400 0.064 0.000 2.116 1613 D HA -0.206 4.434 4.640 0.000 0.000 0.193 1613 D C 2.196 178.465 176.300 -0.052 0.000 0.998 1613 D CA 1.626 55.589 54.000 -0.062 0.000 0.836 1613 D CB -0.256 40.640 40.800 0.159 0.000 0.951 1613 D HN 0.293 nan 8.370 nan 0.000 0.449 1614 R N 0.282 120.815 120.500 0.055 0.000 2.092 1614 R HA -0.023 4.317 4.340 0.000 0.000 0.231 1614 R C 1.472 177.776 176.300 0.007 0.000 1.119 1614 R CA 1.040 57.160 56.100 0.034 0.000 0.970 1614 R CB -0.108 30.232 30.300 0.066 0.000 0.864 1614 R HN 0.353 nan 8.270 nan 0.000 0.440 1615 E N -0.551 119.674 120.200 0.042 0.000 2.511 1615 E HA 0.176 4.526 4.350 0.000 0.000 0.209 1615 E C 0.413 177.005 176.600 -0.014 0.000 0.986 1615 E CA 0.131 56.542 56.400 0.018 0.000 0.974 1615 E CB 1.154 30.879 29.700 0.042 0.000 1.030 1615 E HN 0.356 nan 8.360 nan 0.000 0.490 1616 G N 1.973 110.708 108.800 -0.108 0.000 2.855 1616 G HA2 -0.285 3.675 3.960 0.000 0.000 0.352 1616 G HA3 -0.285 3.675 3.960 0.000 0.000 0.352 1616 G C -0.507 174.503 174.900 0.183 0.000 1.415 1616 G CA -0.481 44.487 45.100 -0.220 0.000 0.871 1616 G HN 0.159 nan 8.290 nan 0.000 0.543 1617 L N 0.527 121.961 121.223 0.353 0.000 2.534 1617 L HA 0.584 4.924 4.340 0.000 0.000 0.271 1617 L C 0.891 177.885 176.870 0.206 0.000 1.178 1617 L CA 1.801 56.928 54.840 0.478 0.000 0.907 1617 L CB -0.511 41.770 42.059 0.370 0.000 1.164 1617 L HN 1.434 nan 8.230 nan 0.000 0.482 1618 K N 3.504 123.973 120.400 0.115 0.000 2.350 1618 K HA 0.473 4.793 4.320 0.000 0.000 0.241 1618 K C 0.683 177.197 176.600 -0.144 0.000 0.994 1618 K CA 0.039 56.204 56.287 -0.203 0.000 0.839 1618 K CB 0.599 32.717 32.500 -0.637 0.000 1.244 1618 K HN 0.725 nan 8.250 nan 0.000 0.443 1619 E N -0.501 119.605 120.200 -0.156 0.000 2.110 1619 E HA -0.036 4.314 4.350 0.000 0.000 0.193 1619 E C 0.893 177.358 176.600 -0.224 0.000 0.988 1619 E CA 1.555 57.902 56.400 -0.089 0.000 0.804 1619 E CB -0.280 29.386 29.700 -0.056 0.000 0.745 1619 E HN 0.755 nan 8.360 nan 0.000 0.458 1620 C N -1.651 117.371 119.300 -0.463 0.000 3.239 1620 C HA 0.680 5.140 4.460 0.000 0.000 0.317 1620 C C -1.463 173.263 174.990 -0.441 0.000 1.310 1620 C CA -1.224 57.445 59.018 -0.581 0.000 1.371 1620 C CB 0.491 27.315 27.740 -1.526 0.000 1.714 1620 C HN 0.134 nan 8.230 nan 0.000 0.473 1621 Y N 0.445 120.642 120.300 -0.173 0.000 2.576 1621 Y HA 0.786 5.336 4.550 0.000 0.000 0.346 1621 Y C -0.086 175.666 175.900 -0.246 0.000 1.018 1621 Y CA -1.114 56.890 58.100 -0.161 0.000 1.050 1621 Y CB 1.949 40.408 38.460 -0.002 0.000 1.280 1621 Y HN 0.695 nan 8.280 nan 0.000 0.474 1622 V N 2.385 122.127 119.914 -0.286 0.000 2.540 1622 V HA 0.476 4.596 4.120 0.000 0.000 0.302 1622 V C -1.325 174.439 176.094 -0.550 0.000 1.035 1622 V CA -1.046 61.094 62.300 -0.266 0.000 0.873 1622 V CB 1.510 33.236 31.823 -0.162 0.000 0.992 1622 V HN 0.533 nan 8.190 nan 0.000 0.428 1623 F N 3.204 123.130 119.950 -0.039 0.000 2.500 1623 F HA 0.555 5.082 4.527 0.000 0.000 0.349 1623 F C 0.414 176.163 175.800 -0.085 0.000 1.127 1623 F CA -0.708 57.242 58.000 -0.083 0.000 0.998 1623 F CB 1.405 40.319 39.000 -0.143 0.000 1.237 1623 F HN 0.305 nan 8.300 nan 0.000 0.439 1624 K N 3.113 123.544 120.400 0.052 0.000 2.090 1624 K HA 0.545 4.865 4.320 0.000 0.000 0.249 1624 K C -2.254 174.355 176.600 0.015 0.000 0.995 1624 K CA -1.675 54.623 56.287 0.017 0.000 0.914 1624 K CB 0.575 33.071 32.500 -0.008 0.000 1.057 1624 K HN 0.226 nan 8.250 nan 0.000 0.462 1634 C N 4.544 123.849 119.300 0.008 0.000 2.648 1634 C HA 0.527 4.987 4.460 0.000 0.000 0.415 1634 C C -1.900 173.079 174.990 -0.019 0.000 1.366 1634 C CA -0.573 58.441 59.018 -0.006 0.000 1.756 1634 C CB -0.326 27.407 27.740 -0.012 0.000 2.549 1634 C HN 0.268 nan 8.230 nan 0.000 0.597 1635 P HA 0.272 nan 4.420 nan 0.000 0.281 1635 P C -0.802 176.459 177.300 -0.064 0.000 1.264 1635 P CA -0.041 63.037 63.100 -0.036 0.000 0.824 1635 P CB 1.131 32.815 31.700 -0.028 0.000 1.092 1636 T N 0.134 114.671 114.554 -0.028 0.000 2.824 1636 T HA 0.583 4.933 4.350 0.000 0.000 0.280 1636 T C -0.293 174.410 174.700 0.006 0.000 0.995 1636 T CA -0.757 61.335 62.100 -0.014 0.000 1.009 1636 T CB -0.157 68.714 68.868 0.005 0.000 0.955 1636 T HN 0.195 nan 8.240 nan 0.000 0.452 1637 I N 5.004 125.596 120.570 0.036 0.000 2.404 1637 I HA 0.452 4.622 4.170 0.000 0.000 0.293 1637 I C -0.297 175.941 176.117 0.202 0.000 0.992 1637 I CA -1.011 60.353 61.300 0.106 0.000 1.149 1637 I CB 1.864 39.896 38.000 0.054 0.000 1.315 1637 I HN 0.567 nan 8.210 nan 0.000 0.446 1638 I N 5.556 126.229 120.570 0.171 0.000 2.359 1638 I HA 0.179 4.349 4.170 0.000 0.000 0.284 1638 I C -0.530 175.707 176.117 0.201 0.000 1.018 1638 I CA -0.487 60.900 61.300 0.144 0.000 1.173 1638 I CB 0.836 38.898 38.000 0.104 0.000 1.326 1638 I HN 0.552 nan 8.210 nan 0.000 0.462 1639 H N 6.801 125.970 119.070 0.165 0.000 2.685 1639 H HA 0.394 4.950 4.556 0.000 0.000 0.286 1639 H C -0.956 174.428 175.328 0.093 0.000 1.102 1639 H CA -0.317 55.848 56.048 0.194 0.000 1.254 1639 H CB 0.366 30.367 29.762 0.399 0.000 1.397 1639 H HN 0.266 nan 8.280 nan 0.000 0.473 1640 F N 3.791 123.516 119.950 -0.376 0.000 2.389 1640 F HA 0.317 4.844 4.527 0.000 0.000 0.337 1640 F C 0.117 175.712 175.800 -0.341 0.000 1.112 1640 F CA -0.200 57.614 58.000 -0.311 0.000 1.192 1640 F CB 0.892 39.613 39.000 -0.465 0.000 1.185 1640 F HN 0.227 nan 8.300 nan 0.000 0.552 1641 V N 3.525 123.453 119.914 0.024 0.000 2.960 1641 V HA 0.338 4.458 4.120 0.000 0.000 0.315 1641 V C -0.933 175.192 176.094 0.053 0.000 1.087 1641 V CA -1.105 61.191 62.300 -0.007 0.000 0.982 1641 V CB 2.326 34.206 31.823 0.095 0.000 1.039 1641 V HN 0.461 nan 8.190 nan 0.000 0.437 1642 L N 4.105 125.366 121.223 0.063 0.000 2.363 1642 L HA 0.731 5.071 4.340 0.000 0.000 0.286 1642 L C 0.075 177.031 176.870 0.144 0.000 1.106 1642 L CA 0.510 55.431 54.840 0.135 0.000 0.859 1642 L CB -0.268 41.934 42.059 0.239 0.000 1.223 1642 L HN 0.842 nan 8.230 nan 0.000 0.446 1643 A N 4.155 127.037 122.820 0.102 0.000 2.594 1643 A HA 0.403 4.723 4.320 0.000 0.000 0.296 1643 A C 0.050 177.671 177.584 0.063 0.000 1.061 1643 A CA -0.672 51.419 52.037 0.089 0.000 0.689 1643 A CB 0.836 19.905 19.000 0.115 0.000 1.280 1643 A HN 0.507 nan 8.150 nan 0.000 0.406 1644 N N 0.363 119.076 118.700 0.021 0.000 2.105 1644 N HA 0.043 4.783 4.740 0.000 0.000 0.190 1644 N C 1.391 176.966 175.510 0.108 0.000 1.066 1644 N CA 1.894 54.954 53.050 0.017 0.000 0.861 1644 N CB -0.665 37.741 38.487 -0.135 0.000 1.048 1644 N HN 0.888 nan 8.380 nan 0.000 0.442 1645 I N -0.691 119.922 120.570 0.071 0.000 4.908 1645 I HA -0.523 3.647 4.170 0.000 0.000 0.038 1645 I C 1.252 177.449 176.117 0.133 0.000 0.635 1645 I CA 1.157 62.514 61.300 0.095 0.000 0.202 1645 I CB -1.247 36.813 38.000 0.101 0.000 0.318 1645 I HN 0.171 nan 8.210 nan 0.000 0.150 1646 N N 0.488 119.306 118.700 0.196 0.000 2.091 1646 N HA -0.211 4.529 4.740 0.000 0.000 0.193 1646 N C 1.372 176.979 175.510 0.162 0.000 1.021 1646 N CA 2.143 55.340 53.050 0.245 0.000 0.862 1646 N CB -0.348 38.342 38.487 0.339 0.000 1.018 1646 N HN 0.490 nan 8.380 nan 0.000 0.429 1647 F N 1.805 121.676 119.950 -0.132 0.000 2.147 1647 F HA -0.196 4.331 4.527 0.000 0.000 0.301 1647 F C 1.921 177.551 175.800 -0.282 0.000 1.084 1647 F CA 1.424 59.078 58.000 -0.578 0.000 1.268 1647 F CB -0.171 38.677 39.000 -0.253 0.000 1.009 1647 F HN 0.013 nan 8.300 nan 0.000 0.486 1648 R N 0.032 120.441 120.500 -0.153 0.000 2.200 1648 R HA -0.146 4.194 4.340 0.000 0.000 0.234 1648 R C 1.370 177.550 176.300 -0.200 0.000 1.127 1648 R CA 1.675 57.653 56.100 -0.203 0.000 0.989 1648 R CB -0.285 29.960 30.300 -0.092 0.000 0.869 1648 R HN 0.328 nan 8.270 nan 0.000 0.459 1649 K N -1.588 118.751 120.400 -0.102 0.000 2.447 1649 K HA 0.185 4.505 4.320 0.000 0.000 0.205 1649 K C -0.735 175.667 176.600 -0.329 0.000 1.059 1649 K CA -0.019 56.180 56.287 -0.147 0.000 1.065 1649 K CB 0.896 33.376 32.500 -0.034 0.000 0.885 1649 K HN -0.024 nan 8.250 nan 0.000 0.545 1653 P HA 0.398 nan 4.420 nan 0.000 0.276 1653 P C 0.977 178.385 177.300 0.180 0.000 1.243 1653 P CA 1.678 64.912 63.100 0.224 0.000 0.768 1653 P CB 1.052 32.662 31.700 -0.150 0.000 0.856 1654 G N 2.205 111.114 108.800 0.182 0.000 2.217 1654 G HA2 -0.196 3.764 3.960 0.000 0.000 0.246 1654 G HA3 -0.196 3.764 3.960 0.000 0.000 0.246 1654 G C -0.168 174.937 174.900 0.342 0.000 0.990 1654 G CA -0.037 45.195 45.100 0.219 0.000 0.627 1654 G HN 0.534 nan 8.290 nan 0.000 0.522 1655 V N 2.558 122.730 119.914 0.429 0.000 2.350 1655 V HA 0.507 4.627 4.120 0.000 0.000 0.285 1655 V C -1.918 174.266 176.094 0.151 0.000 1.014 1655 V CA -1.593 60.860 62.300 0.255 0.000 0.831 1655 V CB 1.851 33.782 31.823 0.180 0.000 1.000 1655 V HN 0.107 nan 8.190 nan 0.000 0.433 1656 P HA 0.444 nan 4.420 nan 0.000 0.274 1656 P C -0.151 176.959 177.300 -0.316 0.000 1.246 1656 P CA -0.237 62.499 63.100 -0.605 0.000 0.795 1656 P CB 0.522 31.914 31.700 -0.514 0.000 1.006 1657 R N 1.777 122.069 120.500 -0.346 0.000 2.312 1657 R HA 0.380 4.720 4.340 0.000 0.000 0.311 1657 R C 0.560 176.761 176.300 -0.166 0.000 1.004 1657 R CA -0.408 55.566 56.100 -0.210 0.000 0.902 1657 R CB -0.248 29.920 30.300 -0.221 0.000 1.073 1657 R HN 0.710 nan 8.270 nan 0.000 0.457 1658 E N 0.435 120.570 120.200 -0.109 0.000 3.306 1658 E HA 0.096 4.446 4.350 0.000 0.000 0.197 1658 E C -1.012 175.554 176.600 -0.057 0.000 0.980 1658 E CA 0.000 56.350 56.400 -0.083 0.000 1.259 1658 E CB -0.112 29.547 29.700 -0.069 0.000 1.112 1658 E HN 0.589 nan 8.360 nan 0.000 0.458 1659 T N -2.737 111.783 114.554 -0.056 0.000 3.313 1659 T HA 0.457 4.807 4.350 0.000 0.000 0.333 1659 T C 0.925 175.603 174.700 -0.036 0.000 0.904 1659 T CA 0.046 62.123 62.100 -0.038 0.000 1.079 1659 T CB 1.165 70.016 68.868 -0.028 0.000 1.017 1659 T HN 0.055 nan 8.240 nan 0.000 0.471 1660 E N 2.486 122.666 120.200 -0.033 0.000 2.598 1660 E HA -0.417 3.933 4.350 0.000 0.000 0.250 1660 E C 1.945 178.532 176.600 -0.022 0.000 1.037 1660 E CA 3.933 60.317 56.400 -0.027 0.000 1.274 1660 E CB -1.937 27.753 29.700 -0.017 0.000 1.177 1660 E HN 1.263 nan 8.360 nan 0.000 0.490 1661 E N 0.372 120.563 120.200 -0.014 0.000 2.118 1661 E HA -0.178 4.172 4.350 0.000 0.000 0.195 1661 E C 1.871 178.465 176.600 -0.010 0.000 0.992 1661 E CA 1.798 58.195 56.400 -0.005 0.000 0.804 1661 E CB -0.626 29.074 29.700 0.000 0.000 0.741 1661 E HN 0.827 nan 8.360 nan 0.000 0.458 1662 E N -0.597 119.587 120.200 -0.025 0.000 2.505 1662 E HA 0.045 4.395 4.350 0.000 0.000 0.197 1662 E C 1.735 178.290 176.600 -0.075 0.000 1.111 1662 E CA 0.857 57.233 56.400 -0.041 0.000 0.887 1662 E CB -0.176 29.496 29.700 -0.047 0.000 0.913 1662 E HN 0.480 nan 8.360 nan 0.000 0.517 1663 K N -0.624 119.739 120.400 -0.060 0.000 2.464 1663 K HA 0.186 4.506 4.320 0.000 0.000 0.206 1663 K C 1.574 178.155 176.600 -0.033 0.000 1.186 1663 K CA 0.594 56.832 56.287 -0.081 0.000 0.990 1663 K CB -0.190 32.264 32.500 -0.078 0.000 1.003 1663 K HN 0.199 nan 8.250 nan 0.000 0.562 1664 E N 0.934 121.135 120.200 0.003 0.000 2.285 1664 E HA 0.138 4.488 4.350 0.000 0.000 0.194 1664 E C 1.865 178.526 176.600 0.100 0.000 0.997 1664 E CA 1.084 57.511 56.400 0.045 0.000 0.845 1664 E CB -0.696 29.026 29.700 0.038 0.000 0.782 1664 E HN 0.633 nan 8.360 nan 0.000 0.491 1665 I N 0.199 120.819 120.570 0.083 0.000 2.286 1665 I HA -0.056 4.114 4.170 0.000 0.000 0.245 1665 I C 2.747 179.045 176.117 0.302 0.000 1.104 1665 I CA 1.164 62.550 61.300 0.142 0.000 1.397 1665 I CB 0.024 38.077 38.000 0.088 0.000 1.072 1665 I HN 0.337 nan 8.210 nan 0.000 0.417 1666 A N -0.386 122.516 122.820 0.137 0.000 2.251 1666 A HA -0.041 4.279 4.320 0.000 0.000 0.209 1666 A C 0.566 178.161 177.584 0.018 0.000 1.187 1666 A CA 0.149 52.242 52.037 0.092 0.000 0.823 1666 A CB -0.508 18.172 19.000 -0.534 0.000 0.846 1666 A HN 0.330 nan 8.150 nan 0.000 0.486 1667 D N 0.463 120.953 120.400 0.150 0.000 2.500 1667 D HA 0.467 5.107 4.640 0.000 0.000 0.219 1667 D C -0.542 175.892 176.300 0.222 0.000 1.137 1667 D CA -0.136 53.905 54.000 0.067 0.000 0.946 1667 D CB -0.411 40.423 40.800 0.058 0.000 1.022 1667 D HN 0.310 nan 8.370 nan 0.000 0.518 1668 F N -0.184 119.824 119.950 0.097 0.000 2.741 1668 F HA 0.513 5.040 4.527 0.000 0.000 0.311 1668 F C -1.358 174.512 175.800 0.117 0.000 1.149 1668 F CA -1.179 56.889 58.000 0.112 0.000 0.930 1668 F CB 1.014 40.108 39.000 0.156 0.000 1.312 1668 F HN -0.141 nan 8.300 nan 0.000 0.450 1669 D N 1.234 121.832 120.400 0.329 0.000 2.269 1669 D HA 0.534 5.174 4.640 0.000 0.000 0.244 1669 D C 0.633 177.136 176.300 0.339 0.000 0.992 1669 D CA -0.308 53.819 54.000 0.211 0.000 0.894 1669 D CB 2.833 43.722 40.800 0.148 0.000 1.248 1669 D HN 0.633 nan 8.370 nan 0.000 0.468 1670 I N -0.271 120.384 120.570 0.141 0.000 2.681 1670 I HA -0.042 4.128 4.170 0.000 0.000 0.247 1670 I C 1.154 177.155 176.117 -0.193 0.000 1.091 1670 I CA 0.404 61.682 61.300 -0.037 0.000 1.442 1670 I CB 0.157 37.834 38.000 -0.538 0.000 1.219 1670 I HN 0.214 nan 8.210 nan 0.000 0.451 1671 F N 0.223 120.297 119.950 0.206 0.000 2.664 1671 F HA 0.158 4.685 4.527 0.000 0.000 0.303 1671 F C 1.410 177.281 175.800 0.119 0.000 1.092 1671 F CA -0.088 58.002 58.000 0.151 0.000 1.305 1671 F CB -0.221 38.844 39.000 0.108 0.000 1.054 1671 F HN 0.003 nan 8.300 nan 0.000 0.565 1672 D N -0.945 119.591 120.400 0.226 0.000 2.615 1672 D HA -0.020 4.620 4.640 0.000 0.000 0.259 1672 D C 0.266 176.643 176.300 0.128 0.000 0.999 1672 D CA 0.510 54.611 54.000 0.167 0.000 0.938 1672 D CB -0.015 40.869 40.800 0.140 0.000 1.121 1672 D HN 0.008 nan 8.370 nan 0.000 0.487 1673 D N 2.737 123.210 120.400 0.122 0.000 2.531 1673 D HA 0.040 4.680 4.640 0.000 0.000 0.239 1673 D C -2.212 174.129 176.300 0.067 0.000 1.144 1673 D CA -0.542 53.510 54.000 0.088 0.000 0.869 1673 D CB 0.712 41.561 40.800 0.081 0.000 1.160 1673 D HN -0.022 nan 8.370 nan 0.000 0.484 1674 P HA 0.047 nan 4.420 nan 0.000 0.265 1674 P C 0.878 178.193 177.300 0.024 0.000 1.187 1674 P CA 1.310 64.437 63.100 0.044 0.000 0.766 1674 P CB 0.427 32.148 31.700 0.035 0.000 0.820 1675 E N 1.278 121.496 120.200 0.030 0.000 4.540 1675 E HA -0.367 3.983 4.350 0.000 0.000 0.175 1675 E C 0.650 177.249 176.600 -0.002 0.000 1.236 1675 E CA 1.596 58.003 56.400 0.012 0.000 2.396 1675 E CB -2.261 27.431 29.700 -0.014 0.000 1.797 1675 E HN 0.827 nan 8.360 nan 0.000 0.437 1676 S N 0.831 116.506 115.700 -0.042 0.000 3.452 1676 S HA -0.061 4.409 4.470 0.000 0.000 0.850 1676 S C -0.918 173.543 174.600 -0.231 0.000 1.095 1676 S CA 1.050 59.182 58.200 -0.112 0.000 1.136 1676 S CB 0.133 63.347 63.200 0.023 0.000 1.088 1676 S HN 1.011 nan 8.310 nan 0.000 0.306 1677 P HA 0.033 nan 4.420 nan 0.000 0.230 1677 P C 0.690 177.583 177.300 -0.678 0.000 1.158 1677 P CA 0.905 63.590 63.100 -0.692 0.000 0.769 1677 P CB -0.132 30.999 31.700 -0.948 0.000 0.807 1678 F N -0.067 119.808 119.950 -0.125 0.000 2.645 1678 F HA 0.240 4.767 4.527 0.000 0.000 0.300 1678 F C 1.476 177.364 175.800 0.147 0.000 1.115 1678 F CA -0.868 57.147 58.000 0.025 0.000 1.355 1678 F CB -0.937 38.052 39.000 -0.019 0.000 1.026 1678 F HN -0.159 nan 8.300 nan 0.000 0.536 1679 S N -0.127 115.711 115.700 0.231 0.000 2.564 1679 S HA 0.059 4.529 4.470 0.000 0.000 0.278 1679 S C 1.578 176.333 174.600 0.258 0.000 1.333 1679 S CA -0.112 58.239 58.200 0.252 0.000 1.048 1679 S CB 0.815 64.130 63.200 0.192 0.000 0.900 1679 S HN 0.315 nan 8.310 nan 0.000 0.505 1680 T N 5.069 119.747 114.554 0.208 0.000 2.699 1680 T HA -0.118 4.232 4.350 0.000 0.000 0.268 1680 T C 1.118 175.942 174.700 0.206 0.000 1.036 1680 T CA 1.636 63.834 62.100 0.162 0.000 1.147 1680 T CB -0.468 68.394 68.868 -0.010 0.000 0.862 1680 T HN 0.682 nan 8.240 nan 0.000 0.446 1681 F N 1.599 121.646 119.950 0.161 0.000 2.546 1681 F HA 0.167 4.694 4.527 0.000 0.000 0.298 1681 F C 1.156 177.014 175.800 0.096 0.000 1.120 1681 F CA -0.503 57.603 58.000 0.176 0.000 1.456 1681 F CB -0.832 38.243 39.000 0.124 0.000 1.088 1681 F HN 0.073 nan 8.300 nan 0.000 0.572 1682 N N -0.637 118.189 118.700 0.210 0.000 2.434 1682 N HA 0.124 4.864 4.740 0.000 0.000 0.272 1682 N C -0.109 175.392 175.510 -0.015 0.000 1.040 1682 N CA 0.070 53.200 53.050 0.134 0.000 0.956 1682 N CB 0.282 38.833 38.487 0.107 0.000 1.108 1682 N HN -0.072 nan 8.380 nan 0.000 0.481 1683 F N 0.429 120.425 119.950 0.076 0.000 2.678 1683 F HA 0.258 4.785 4.527 0.000 0.000 0.305 1683 F C 0.820 176.706 175.800 0.145 0.000 1.090 1683 F CA -0.274 57.608 58.000 -0.197 0.000 1.272 1683 F CB 0.446 39.164 39.000 -0.470 0.000 1.060 1683 F HN 0.462 nan 8.300 nan 0.000 0.576 1684 Q N 0.781 120.807 119.800 0.376 0.000 2.372 1684 Q HA 0.265 4.605 4.340 0.000 0.000 0.259 1684 Q C -1.736 174.468 176.000 0.340 0.000 0.993 1684 Q CA -0.565 55.443 55.803 0.342 0.000 0.854 1684 Q CB 0.685 29.520 28.738 0.163 0.000 1.231 1684 Q HN 0.166 nan 8.270 nan 0.000 0.462 1685 Y N 5.205 125.657 120.300 0.253 0.000 2.388 1685 Y HA 0.391 4.941 4.550 0.000 0.000 0.328 1685 Y C -2.209 173.798 175.900 0.179 0.000 0.963 1685 Y CA -2.509 55.736 58.100 0.241 0.000 1.240 1685 Y CB 1.486 40.181 38.460 0.392 0.000 1.118 1685 Y HN 0.596 nan 8.280 nan 0.000 0.484 1686 P HA 0.186 nan 4.420 nan 0.000 0.278 1686 P C 0.472 177.865 177.300 0.156 0.000 1.238 1686 P CA -0.202 62.965 63.100 0.112 0.000 0.794 1686 P CB 0.915 32.634 31.700 0.032 0.000 0.955 1687 N N 0.953 119.721 118.700 0.114 0.000 2.165 1687 N HA -0.351 4.389 4.740 0.000 0.000 0.198 1687 N C 1.574 177.188 175.510 0.173 0.000 0.999 1687 N CA 1.242 54.370 53.050 0.131 0.000 0.893 1687 N CB -0.132 38.391 38.487 0.059 0.000 1.025 1687 N HN 0.553 nan 8.380 nan 0.000 0.456 1688 Q N 1.243 121.105 119.800 0.104 0.000 1.948 1688 Q HA -0.102 4.238 4.340 0.000 0.000 0.205 1688 Q C 2.076 178.124 176.000 0.079 0.000 0.992 1688 Q CA 2.169 58.012 55.803 0.067 0.000 0.849 1688 Q CB -0.617 28.126 28.738 0.009 0.000 0.918 1688 Q HN 0.352 nan 8.270 nan 0.000 0.421 1689 A N -0.287 122.563 122.820 0.050 0.000 1.917 1689 A HA -0.189 4.131 4.320 0.000 0.000 0.219 1689 A C 2.116 179.922 177.584 0.369 0.000 1.182 1689 A CA 1.655 53.736 52.037 0.073 0.000 0.633 1689 A CB -1.184 17.685 19.000 -0.219 0.000 0.819 1689 A HN 0.584 nan 8.150 nan 0.000 0.448 1690 F N 0.463 120.580 119.950 0.277 0.000 2.026 1690 F HA -0.179 4.348 4.527 0.000 0.000 0.296 1690 F C 2.311 178.221 175.800 0.184 0.000 1.133 1690 F CA 2.355 60.526 58.000 0.285 0.000 1.188 1690 F CB -0.244 38.864 39.000 0.181 0.000 0.968 1690 F HN 0.093 nan 8.300 nan 0.000 0.476 1691 K N -0.095 120.531 120.400 0.377 0.000 2.127 1691 K HA -0.247 4.073 4.320 0.000 0.000 0.208 1691 K C 2.200 178.896 176.600 0.160 0.000 1.047 1691 K CA 1.807 58.254 56.287 0.266 0.000 0.927 1691 K CB -0.198 32.444 32.500 0.236 0.000 0.716 1691 K HN 0.330 nan 8.250 nan 0.000 0.450 1692 R N 0.301 120.851 120.500 0.083 0.000 2.075 1692 R HA -0.150 4.190 4.340 0.000 0.000 0.230 1692 R C 2.331 178.594 176.300 -0.062 0.000 1.140 1692 R CA 1.273 57.359 56.100 -0.023 0.000 0.928 1692 R CB -0.559 29.463 30.300 -0.463 0.000 0.834 1692 R HN 0.090 nan 8.270 nan 0.000 0.429 1693 L N 0.485 121.597 121.223 -0.186 0.000 2.017 1693 L HA -0.196 4.144 4.340 0.000 0.000 0.208 1693 L C 2.258 178.961 176.870 -0.279 0.000 1.073 1693 L CA 2.078 56.724 54.840 -0.323 0.000 0.745 1693 L CB -0.990 40.812 42.059 -0.428 0.000 0.894 1693 L HN 0.229 nan 8.230 nan 0.000 0.432 1694 H N -0.532 118.286 119.070 -0.420 0.000 2.265 1694 H HA -0.185 4.371 4.556 0.000 0.000 0.295 1694 H C 1.831 177.055 175.328 -0.172 0.000 1.084 1694 H CA 2.447 58.258 56.048 -0.394 0.000 1.261 1694 H CB -0.110 29.362 29.762 -0.484 0.000 1.360 1694 H HN 0.387 nan 8.280 nan 0.000 0.487 1695 D N 0.086 120.457 120.400 -0.048 0.000 2.117 1695 D HA -0.134 4.506 4.640 0.000 0.000 0.197 1695 D C 2.368 178.440 176.300 -0.380 0.000 0.987 1695 D CA 1.031 55.031 54.000 0.001 0.000 0.829 1695 D CB -0.584 40.413 40.800 0.328 0.000 0.961 1695 D HN 0.341 nan 8.370 nan 0.000 0.460 1696 L N 0.452 121.241 121.223 -0.723 0.000 1.971 1696 L HA -0.189 4.151 4.340 0.000 0.000 0.215 1696 L C 1.977 178.624 176.870 -0.371 0.000 1.072 1696 L CA 1.795 56.020 54.840 -1.025 0.000 0.758 1696 L CB -0.600 41.174 42.059 -0.476 0.000 0.889 1696 L HN -0.069 nan 8.230 nan 0.000 0.433 1697 M N -1.091 118.385 119.600 -0.207 0.000 2.279 1697 M HA -0.169 4.311 4.480 0.000 0.000 0.264 1697 M C 2.332 178.579 176.300 -0.088 0.000 1.062 1697 M CA 1.595 56.856 55.300 -0.065 0.000 1.099 1697 M CB -1.640 30.958 32.600 -0.003 0.000 1.394 1697 M HN 0.574 nan 8.290 nan 0.000 0.426 1698 H N -0.305 118.616 119.070 -0.248 0.000 2.428 1698 H HA -0.110 4.446 4.556 0.000 0.000 0.296 1698 H C 1.749 177.058 175.328 -0.032 0.000 1.062 1698 H CA 1.453 57.378 56.048 -0.205 0.000 1.350 1698 H CB -0.195 29.401 29.762 -0.277 0.000 1.403 1698 H HN 0.225 nan 8.280 nan 0.000 0.533 1699 F N 1.310 121.119 119.950 -0.235 0.000 2.037 1699 F HA -0.123 4.404 4.527 0.000 0.000 0.291 1699 F C 1.915 177.669 175.800 -0.077 0.000 1.137 1699 F CA 1.695 59.611 58.000 -0.140 0.000 1.178 1699 F CB -0.772 38.267 39.000 0.065 0.000 0.995 1699 F HN 0.136 nan 8.300 nan 0.000 0.472 1700 N N 0.044 118.723 118.700 -0.035 0.000 2.096 1700 N HA -0.224 4.516 4.740 0.000 0.000 0.195 1700 N C 1.743 177.286 175.510 0.055 0.000 1.017 1700 N CA 2.452 55.499 53.050 -0.005 0.000 0.870 1700 N CB -1.204 37.406 38.487 0.205 0.000 1.024 1700 N HN 0.367 nan 8.380 nan 0.000 0.434 1701 T N 0.640 115.187 114.554 -0.012 0.000 2.701 1701 T HA -0.041 4.309 4.350 0.000 0.000 0.263 1701 T C 1.797 176.444 174.700 -0.089 0.000 1.040 1701 T CA 0.601 62.667 62.100 -0.057 0.000 1.147 1701 T CB -0.347 68.419 68.868 -0.171 0.000 0.865 1701 T HN 0.029 nan 8.240 nan 0.000 0.426 1702 L N 1.772 122.851 121.223 -0.241 0.000 2.201 1702 L HA 0.107 4.447 4.340 0.000 0.000 0.212 1702 L C 1.945 178.655 176.870 -0.267 0.000 1.105 1702 L CA 1.355 56.048 54.840 -0.245 0.000 0.775 1702 L CB -0.892 40.963 42.059 -0.340 0.000 0.913 1702 L HN 0.314 nan 8.230 nan 0.000 0.440 1703 N N -0.795 117.642 118.700 -0.438 0.000 2.461 1703 N HA -0.051 4.689 4.740 0.000 0.000 0.188 1703 N C 0.401 175.767 175.510 -0.241 0.000 1.134 1703 N CA 0.172 52.924 53.050 -0.497 0.000 0.878 1703 N CB 0.189 38.068 38.487 -1.013 0.000 0.972 1703 N HN 0.409 nan 8.380 nan 0.000 0.456 1704 N N 0.349 118.995 118.700 -0.091 0.000 2.307 1704 N HA 0.137 4.877 4.740 0.000 0.000 0.248 1704 N C 0.815 176.359 175.510 0.056 0.000 1.322 1704 N CA -0.096 52.949 53.050 -0.009 0.000 0.861 1704 N CB 0.708 39.219 38.487 0.041 0.000 1.303 1704 N HN 0.203 nan 8.380 nan 0.000 0.498 1705 I N 1.480 122.060 120.570 0.016 0.000 2.423 1705 I HA -0.282 3.888 4.170 0.000 0.000 0.254 1705 I C 1.905 178.029 176.117 0.012 0.000 1.151 1705 I CA 1.298 62.613 61.300 0.025 0.000 1.421 1705 I CB -0.148 37.847 38.000 -0.009 0.000 1.079 1705 I HN 0.138 nan 8.210 nan 0.000 0.431 1706 D N 1.101 121.491 120.400 -0.016 0.000 2.104 1706 D HA -0.164 4.476 4.640 0.000 0.000 0.194 1706 D C 2.211 178.497 176.300 -0.023 0.000 0.994 1706 D CA 1.240 55.224 54.000 -0.026 0.000 0.830 1706 D CB -0.807 39.966 40.800 -0.046 0.000 0.959 1706 D HN 0.261 nan 8.370 nan 0.000 0.452 1707 V N 1.782 121.679 119.914 -0.029 0.000 2.255 1707 V HA -0.244 3.876 4.120 0.000 0.000 0.247 1707 V C 2.790 178.885 176.094 0.001 0.000 1.051 1707 V CA 1.363 63.640 62.300 -0.038 0.000 1.018 1707 V CB -0.536 31.237 31.823 -0.083 0.000 0.641 1707 V HN 0.169 nan 8.190 nan 0.000 0.445 1708 I N -0.537 120.062 120.570 0.049 0.000 2.264 1708 I HA -0.272 3.898 4.170 0.000 0.000 0.248 1708 I C 2.558 178.694 176.117 0.032 0.000 1.111 1708 I CA 1.626 62.967 61.300 0.067 0.000 1.382 1708 I CB -0.476 37.590 38.000 0.110 0.000 1.060 1708 I HN 0.289 nan 8.210 nan 0.000 0.418 1709 K N 0.495 120.905 120.400 0.016 0.000 2.057 1709 K HA -0.242 4.078 4.320 0.000 0.000 0.207 1709 K C 2.111 178.708 176.600 -0.004 0.000 1.049 1709 K CA 1.562 57.851 56.287 0.002 0.000 0.931 1709 K CB -0.204 32.292 32.500 -0.006 0.000 0.714 1709 K HN 0.340 nan 8.250 nan 0.000 0.440 1710 E N 0.655 120.850 120.200 -0.009 0.000 2.077 1710 E HA -0.191 4.159 4.350 0.000 0.000 0.193 1710 E C 1.926 178.520 176.600 -0.009 0.000 0.989 1710 E CA 0.992 57.384 56.400 -0.014 0.000 0.800 1710 E CB -0.019 29.667 29.700 -0.024 0.000 0.746 1710 E HN 0.312 nan 8.360 nan 0.000 0.452 1711 A N 0.841 123.659 122.820 -0.003 0.000 1.933 1711 A HA -0.192 4.128 4.320 0.000 0.000 0.218 1711 A C 2.172 179.760 177.584 0.006 0.000 1.175 1711 A CA 1.642 53.681 52.037 0.003 0.000 0.628 1711 A CB -0.445 18.565 19.000 0.016 0.000 0.814 1711 A HN 0.287 nan 8.150 nan 0.000 0.444 1712 M N -0.896 118.708 119.600 0.007 0.000 2.099 1712 M HA -0.110 4.370 4.480 0.000 0.000 0.262 1712 M C 2.145 178.443 176.300 -0.005 0.000 1.067 1712 M CA 1.368 56.670 55.300 0.003 0.000 1.124 1712 M CB -0.555 32.045 32.600 -0.001 0.000 1.353 1712 M HN 0.240 nan 8.290 nan 0.000 0.410 1713 V N 0.720 120.630 119.914 -0.007 0.000 2.255 1713 V HA -0.280 3.840 4.120 0.000 0.000 0.247 1713 V C 2.111 178.201 176.094 -0.007 0.000 1.051 1713 V CA 2.056 64.351 62.300 -0.009 0.000 1.018 1713 V CB -0.835 30.983 31.823 -0.009 0.000 0.641 1713 V HN 0.477 nan 8.190 nan 0.000 0.445 1714 E N 0.112 120.308 120.200 -0.006 0.000 2.038 1714 E HA -0.209 4.141 4.350 0.000 0.000 0.195 1714 E C 2.440 179.038 176.600 -0.003 0.000 1.000 1714 E CA 1.694 58.090 56.400 -0.006 0.000 0.803 1714 E CB -0.287 29.408 29.700 -0.008 0.000 0.750 1714 E HN 0.497 nan 8.360 nan 0.000 0.448 1715 S N 0.661 116.361 115.700 -0.000 0.000 2.387 1715 S HA -0.139 4.331 4.470 0.000 0.000 0.230 1715 S C 0.986 175.587 174.600 0.001 0.000 1.035 1715 S CA 0.566 58.768 58.200 0.003 0.000 1.014 1715 S CB -0.257 62.948 63.200 0.008 0.000 0.836 1715 S HN 0.195 nan 8.310 nan 0.000 0.466 1716 I N 2.496 123.064 120.570 -0.003 0.000 2.680 1716 I HA 0.317 4.487 4.170 0.000 0.000 0.286 1716 I C 0.580 176.695 176.117 -0.002 0.000 1.144 1716 I CA 0.062 61.358 61.300 -0.006 0.000 1.370 1716 I CB -0.631 37.362 38.000 -0.011 0.000 1.420 1716 I HN 0.382 nan 8.210 nan 0.000 0.540 1717 E N 0.000 120.200 120.200 -0.000 0.000 2.725 1717 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1717 E CA 0.000 56.401 56.400 0.002 0.000 0.976 1717 E CB 0.000 29.701 29.700 0.001 0.000 0.812 1717 E HN 0.000 nan 8.360 nan 0.000 0.440