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 2o4u_1_X DATA FIRST_RESID 1002 DATA SEQUENCE ALRWGIVSVG LISSDFTAVL QTLPRSEHQV VAVAARDLSR AKEFAQKHDI DATA SEQUENCE PKAYGSYEEL AKDPNVEVAY VGTQHPQHKA AVMLCLAAGK AVLCEKPMGV DATA SEQUENCE NAAEVREMVT EARSRGLFLM EAIWTRFFPA SEALRSVLAQ GTLGDLRVAR DATA SEQUENCE AEFGKNLTHV PRAVDWAQAG GALLDLGIYC VQFISMVFGG QKPEKISVMG DATA SEQUENCE RRHETGVDDT VTVLLQYPGE VHGSFTCSIT AQLSNTASVS GTKGMAQLLN DATA SEQUENCE PCWCPTELVV KGEHKEFLLP PVPKNCNFDN GAGMSYEAKH VRECLRKGLK DATA SEQUENCE ESPVIPLVES ELLADILEEV RRAIGVTFPQ D 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 1002 A HA 0.000 nan 4.320 nan 0.000 0.244 1002 A C 0.000 177.518 177.584 -0.110 0.000 1.274 1002 A CA 0.000 51.990 52.037 -0.078 0.000 0.836 1002 A CB 0.000 18.986 19.000 -0.024 0.000 0.831 1003 L N 1.429 122.544 121.223 -0.180 0.000 2.361 1003 L HA 0.511 4.849 4.340 -0.002 0.000 0.278 1003 L C 0.396 177.186 176.870 -0.133 0.000 1.113 1003 L CA 0.515 55.211 54.840 -0.240 0.000 0.849 1003 L CB -0.001 41.831 42.059 -0.378 0.000 1.155 1003 L HN 0.584 nan 8.230 nan 0.000 0.452 1004 R N 4.963 125.372 120.500 -0.152 0.000 2.198 1004 R HA 0.248 4.587 4.340 -0.002 0.000 0.339 1004 R C -1.403 174.875 176.300 -0.036 0.000 1.020 1004 R CA -0.282 55.807 56.100 -0.018 0.000 0.864 1004 R CB 0.549 30.847 30.300 -0.004 0.000 1.105 1004 R HN 0.580 nan 8.270 nan 0.000 0.463 1005 W N 1.346 122.689 121.300 0.071 0.000 2.417 1005 W HA 0.449 5.107 4.660 -0.002 0.000 0.317 1005 W C 0.674 177.261 176.519 0.112 0.000 1.121 1005 W CA -0.431 56.978 57.345 0.106 0.000 1.208 1005 W CB 1.759 31.292 29.460 0.121 0.000 1.253 1005 W HN 0.573 nan 8.180 nan 0.000 0.533 1006 G N 3.909 112.924 108.800 0.358 0.000 2.372 1006 G HA2 0.624 4.583 3.960 -0.002 0.000 0.323 1006 G HA3 0.624 4.583 3.960 -0.002 0.000 0.323 1006 G C -1.214 173.871 174.900 0.308 0.000 1.152 1006 G CA -0.719 44.550 45.100 0.281 0.000 0.906 1006 G HN 0.291 nan 8.290 nan 0.000 0.460 1007 I N 2.720 123.437 120.570 0.245 0.000 2.321 1007 I HA 0.220 4.389 4.170 -0.002 0.000 0.291 1007 I C -0.028 176.120 176.117 0.052 0.000 0.998 1007 I CA -0.931 60.493 61.300 0.207 0.000 1.227 1007 I CB 1.228 39.318 38.000 0.149 0.000 1.368 1007 I HN 0.018 nan 8.210 nan 0.000 0.466 1008 V N 6.525 126.415 119.914 -0.040 0.000 2.350 1008 V HA 0.533 4.652 4.120 -0.002 0.000 0.276 1008 V C 0.202 176.098 176.094 -0.329 0.000 1.028 1008 V CA -0.198 61.925 62.300 -0.295 0.000 0.860 1008 V CB 0.891 32.421 31.823 -0.489 0.000 0.990 1008 V HN 1.101 nan 8.190 nan 0.000 0.453 1009 S N 3.717 119.270 115.700 -0.246 0.000 3.273 1009 S HA -0.098 4.371 4.470 -0.002 0.000 0.842 1009 S C -0.173 174.282 174.600 -0.242 0.000 1.077 1009 S CA 0.014 58.150 58.200 -0.106 0.000 1.159 1009 S CB -0.794 62.366 63.200 -0.066 0.000 0.798 1009 S HN 2.108 nan 8.310 nan 0.000 0.271 1010 V N -0.324 119.460 119.914 -0.216 0.000 3.070 1010 V HA 0.755 4.874 4.120 -0.002 0.000 0.345 1010 V C 1.295 177.362 176.094 -0.045 0.000 1.403 1010 V CA 0.523 62.563 62.300 -0.434 0.000 1.155 1010 V CB -0.179 31.438 31.823 -0.344 0.000 1.140 1010 V HN 1.601 nan 8.190 nan 0.000 0.505 1011 G N 0.238 109.050 108.800 0.020 0.000 2.516 1011 G HA2 0.379 4.338 3.960 -0.002 0.000 0.276 1011 G HA3 0.379 4.338 3.960 -0.002 0.000 0.276 1011 G C 0.681 175.694 174.900 0.187 0.000 1.390 1011 G CA -0.357 44.810 45.100 0.113 0.000 1.050 1011 G HN 0.264 nan 8.290 nan 0.000 0.519 1012 L N -0.905 120.443 121.223 0.208 0.000 2.046 1012 L HA -0.064 4.275 4.340 -0.002 0.000 0.208 1012 L C 2.765 179.860 176.870 0.374 0.000 1.077 1012 L CA 0.772 55.752 54.840 0.233 0.000 0.747 1012 L CB -0.377 41.776 42.059 0.156 0.000 0.896 1012 L HN 0.422 nan 8.230 nan 0.000 0.432 1013 I N -0.695 120.143 120.570 0.448 0.000 2.353 1013 I HA -0.220 3.949 4.170 -0.002 0.000 0.248 1013 I C 2.541 178.842 176.117 0.307 0.000 1.119 1013 I CA 1.288 62.815 61.300 0.379 0.000 1.417 1013 I CB -0.034 38.062 38.000 0.161 0.000 1.078 1013 I HN 0.046 nan 8.210 nan 0.000 0.421 1014 S N -0.573 115.300 115.700 0.290 0.000 2.382 1014 S HA -0.191 4.278 4.470 -0.002 0.000 0.228 1014 S C 2.170 176.929 174.600 0.265 0.000 1.027 1014 S CA 1.448 59.819 58.200 0.286 0.000 0.991 1014 S CB -0.453 62.798 63.200 0.084 0.000 0.823 1014 S HN 0.616 nan 8.310 nan 0.000 0.469 1015 S N 1.413 117.306 115.700 0.321 0.000 2.356 1015 S HA -0.175 4.294 4.470 -0.002 0.000 0.223 1015 S C 1.518 176.176 174.600 0.097 0.000 1.032 1015 S CA 1.629 59.978 58.200 0.248 0.000 1.005 1015 S CB -0.552 62.834 63.200 0.310 0.000 0.867 1015 S HN 0.396 nan 8.310 nan 0.000 0.449 1016 D N 0.175 120.664 120.400 0.148 0.000 2.084 1016 D HA -0.053 4.586 4.640 -0.002 0.000 0.194 1016 D C 1.556 177.864 176.300 0.013 0.000 0.990 1016 D CA 1.032 55.094 54.000 0.104 0.000 0.826 1016 D CB -0.563 40.353 40.800 0.194 0.000 0.971 1016 D HN 0.444 nan 8.370 nan 0.000 0.453 1017 F N 1.373 121.210 119.950 -0.190 0.000 2.134 1017 F HA -0.196 4.330 4.527 -0.001 0.000 0.299 1017 F C 2.372 177.917 175.800 -0.424 0.000 1.097 1017 F CA 1.325 59.065 58.000 -0.434 0.000 1.264 1017 F CB -0.619 37.845 39.000 -0.894 0.000 1.001 1017 F HN -0.102 nan 8.300 nan 0.000 0.479 1018 T N 0.408 114.799 114.554 -0.272 0.000 2.708 1018 T HA -0.200 4.149 4.350 -0.002 0.000 0.266 1018 T C 2.247 176.774 174.700 -0.289 0.000 1.037 1018 T CA 1.518 63.437 62.100 -0.301 0.000 1.146 1018 T CB -0.934 67.820 68.868 -0.190 0.000 0.865 1018 T HN 0.339 nan 8.240 nan 0.000 0.435 1019 A N 0.969 123.679 122.820 -0.184 0.000 1.917 1019 A HA -0.106 4.213 4.320 -0.002 0.000 0.219 1019 A C 2.611 180.076 177.584 -0.198 0.000 1.182 1019 A CA 1.669 53.646 52.037 -0.100 0.000 0.633 1019 A CB -1.158 17.833 19.000 -0.015 0.000 0.819 1019 A HN 0.357 nan 8.150 nan 0.000 0.448 1020 V N 0.023 119.760 119.914 -0.295 0.000 2.295 1020 V HA -0.255 3.864 4.120 -0.002 0.000 0.246 1020 V C 2.565 178.362 176.094 -0.495 0.000 1.049 1020 V CA 1.963 64.038 62.300 -0.374 0.000 1.024 1020 V CB -0.706 30.867 31.823 -0.417 0.000 0.648 1020 V HN 0.588 nan 8.190 nan 0.000 0.447 1021 L N -0.449 120.350 121.223 -0.708 0.000 2.127 1021 L HA -0.247 4.092 4.340 -0.002 0.000 0.211 1021 L C 2.444 179.080 176.870 -0.389 0.000 1.089 1021 L CA 1.570 55.975 54.840 -0.725 0.000 0.757 1021 L CB -0.517 41.001 42.059 -0.902 0.000 0.899 1021 L HN 0.425 nan 8.230 nan 0.000 0.434 1022 Q N -0.914 118.717 119.800 -0.283 0.000 2.444 1022 Q HA -0.072 4.267 4.340 -0.002 0.000 0.206 1022 Q C 1.742 177.662 176.000 -0.133 0.000 0.948 1022 Q CA 1.203 56.912 55.803 -0.156 0.000 0.946 1022 Q CB 0.110 28.785 28.738 -0.104 0.000 1.027 1022 Q HN 0.595 nan 8.270 nan 0.000 0.513 1023 T N -3.160 111.291 114.554 -0.172 0.000 3.060 1023 T HA 0.227 4.576 4.350 -0.002 0.000 0.249 1023 T C 0.740 175.364 174.700 -0.126 0.000 1.079 1023 T CA -0.190 61.829 62.100 -0.135 0.000 1.013 1023 T CB 0.153 68.934 68.868 -0.145 0.000 0.975 1023 T HN -0.018 nan 8.240 nan 0.000 0.518 1024 L N 1.506 122.637 121.223 -0.154 0.000 2.439 1024 L HA 0.472 4.811 4.340 -0.002 0.000 0.259 1024 L C -2.232 174.634 176.870 -0.006 0.000 1.129 1024 L CA -2.733 52.043 54.840 -0.107 0.000 0.803 1024 L CB 0.096 42.025 42.059 -0.215 0.000 1.161 1024 L HN -0.082 nan 8.230 nan 0.000 0.462 1025 P HA 0.055 nan 4.420 nan 0.000 0.264 1025 P C -0.083 177.255 177.300 0.064 0.000 1.193 1025 P CA 0.125 63.252 63.100 0.046 0.000 0.763 1025 P CB 0.411 32.141 31.700 0.050 0.000 0.810 1026 R N 1.577 122.098 120.500 0.035 0.000 2.189 1026 R HA -0.084 4.255 4.340 -0.002 0.000 0.223 1026 R C 1.812 178.130 176.300 0.031 0.000 1.092 1026 R CA 1.556 57.676 56.100 0.035 0.000 0.989 1026 R CB -0.451 29.859 30.300 0.017 0.000 0.876 1026 R HN 0.558 nan 8.270 nan 0.000 0.457 1027 S N -0.002 115.710 115.700 0.020 0.000 2.562 1027 S HA 0.013 4.482 4.470 -0.002 0.000 0.221 1027 S C 1.369 175.958 174.600 -0.018 0.000 0.975 1027 S CA 0.362 58.563 58.200 0.002 0.000 0.918 1027 S CB 0.237 63.436 63.200 -0.002 0.000 0.772 1027 S HN 0.350 nan 8.310 nan 0.000 0.531 1028 E N 0.079 120.276 120.200 -0.005 0.000 2.256 1028 E HA 0.193 4.542 4.350 -0.002 0.000 0.198 1028 E C -0.092 176.343 176.600 -0.275 0.000 0.908 1028 E CA 0.254 56.591 56.400 -0.106 0.000 0.915 1028 E CB 0.292 29.987 29.700 -0.008 0.000 0.890 1028 E HN 0.577 nan 8.360 nan 0.000 0.484 1029 H N 0.366 119.481 119.070 0.076 0.000 2.679 1029 H HA 0.433 4.988 4.556 -0.002 0.000 0.360 1029 H C -0.818 174.585 175.328 0.125 0.000 1.105 1029 H CA -0.462 55.687 56.048 0.168 0.000 1.196 1029 H CB 1.797 31.653 29.762 0.157 0.000 1.636 1029 H HN -0.027 nan 8.280 nan 0.000 0.531 1030 Q N 1.588 121.566 119.800 0.296 0.000 2.305 1030 Q HA 0.347 4.686 4.340 -0.002 0.000 0.271 1030 Q C -0.957 175.197 176.000 0.257 0.000 1.046 1030 Q CA -0.873 55.047 55.803 0.195 0.000 0.798 1030 Q CB 3.503 32.311 28.738 0.116 0.000 1.286 1030 Q HN 0.324 nan 8.270 nan 0.000 0.435 1031 V N 3.320 123.335 119.914 0.168 0.000 2.353 1031 V HA 0.084 4.203 4.120 -0.002 0.000 0.264 1031 V C 0.883 177.069 176.094 0.154 0.000 1.049 1031 V CA -0.133 62.274 62.300 0.178 0.000 0.896 1031 V CB 0.671 32.547 31.823 0.088 0.000 1.025 1031 V HN 0.794 nan 8.190 nan 0.000 0.475 1032 V N 1.744 121.764 119.914 0.176 0.000 3.565 1032 V HA 0.776 4.895 4.120 -0.002 0.000 0.260 1032 V C 0.643 176.818 176.094 0.135 0.000 1.231 1032 V CA 0.746 63.127 62.300 0.134 0.000 1.100 1032 V CB 0.182 32.077 31.823 0.119 0.000 0.807 1032 V HN 0.891 nan 8.190 nan 0.000 0.454 1033 A N -0.659 122.265 122.820 0.174 0.000 2.605 1033 A HA 0.804 5.123 4.320 -0.002 0.000 0.294 1033 A C -1.435 176.273 177.584 0.207 0.000 1.062 1033 A CA 0.036 52.184 52.037 0.185 0.000 0.682 1033 A CB 2.095 21.282 19.000 0.312 0.000 1.278 1033 A HN 1.055 nan 8.150 nan 0.000 0.410 1034 V N 0.377 120.402 119.914 0.184 0.000 2.841 1034 V HA 0.898 5.017 4.120 -0.002 0.000 0.310 1034 V C -0.454 175.760 176.094 0.200 0.000 1.090 1034 V CA 0.226 62.623 62.300 0.162 0.000 0.930 1034 V CB 1.817 33.732 31.823 0.153 0.000 1.014 1034 V HN 2.251 nan 8.190 nan 0.000 0.425 1035 A N 4.656 127.582 122.820 0.177 0.000 2.386 1035 A HA 1.058 5.377 4.320 -0.002 0.000 0.311 1035 A C -0.341 177.384 177.584 0.235 0.000 1.068 1035 A CA 0.013 52.210 52.037 0.266 0.000 0.743 1035 A CB 1.862 21.081 19.000 0.365 0.000 1.258 1035 A HN 2.066 nan 8.150 nan 0.000 0.429 1036 A N 0.825 123.786 122.820 0.236 0.000 2.483 1036 A HA 0.744 5.063 4.320 -0.002 0.000 0.286 1036 A C 0.449 178.081 177.584 0.081 0.000 1.207 1036 A CA -0.702 51.459 52.037 0.206 0.000 0.764 1036 A CB 0.835 19.892 19.000 0.095 0.000 1.341 1036 A HN 0.771 nan 8.150 nan 0.000 0.428 1037 R N -0.356 120.130 120.500 -0.023 0.000 2.323 1037 R HA 0.063 4.402 4.340 -0.002 0.000 0.198 1037 R C -0.866 175.393 176.300 -0.067 0.000 0.988 1037 R CA 1.196 57.200 56.100 -0.159 0.000 1.041 1037 R CB -0.223 29.965 30.300 -0.188 0.000 0.926 1037 R HN 0.831 nan 8.270 nan 0.000 0.476 1038 D N -2.827 117.570 120.400 -0.006 0.000 2.661 1038 D HA 0.053 4.692 4.640 -0.002 0.000 0.228 1038 D C 0.473 176.798 176.300 0.042 0.000 1.210 1038 D CA -0.764 53.243 54.000 0.013 0.000 0.826 1038 D CB 0.682 41.488 40.800 0.011 0.000 1.542 1038 D HN -0.281 nan 8.370 nan 0.000 0.447 1039 L N 0.696 121.946 121.223 0.044 0.000 2.042 1039 L HA -0.186 4.153 4.340 -0.002 0.000 0.210 1039 L C 2.201 179.104 176.870 0.054 0.000 1.076 1039 L CA 1.857 56.730 54.840 0.055 0.000 0.749 1039 L CB -0.330 41.756 42.059 0.046 0.000 0.893 1039 L HN 0.694 nan 8.230 nan 0.000 0.432 1040 S N -0.220 115.508 115.700 0.047 0.000 2.353 1040 S HA -0.264 4.205 4.470 -0.002 0.000 0.222 1040 S C 2.041 176.682 174.600 0.069 0.000 1.035 1040 S CA 1.520 59.750 58.200 0.049 0.000 1.025 1040 S CB -0.149 63.074 63.200 0.039 0.000 0.902 1040 S HN 0.366 nan 8.310 nan 0.000 0.440 1041 R N 0.532 121.076 120.500 0.073 0.000 2.103 1041 R HA -0.085 4.254 4.340 -0.002 0.000 0.242 1041 R C 2.636 179.018 176.300 0.137 0.000 1.142 1041 R CA 1.449 57.609 56.100 0.099 0.000 0.960 1041 R CB -0.636 29.713 30.300 0.082 0.000 0.858 1041 R HN 0.545 nan 8.270 nan 0.000 0.439 1042 A N 1.282 124.171 122.820 0.114 0.000 1.873 1042 A HA -0.166 4.153 4.320 -0.002 0.000 0.215 1042 A C 1.900 179.580 177.584 0.159 0.000 1.186 1042 A CA 1.292 53.408 52.037 0.132 0.000 0.616 1042 A CB -0.270 18.794 19.000 0.107 0.000 0.823 1042 A HN 0.184 nan 8.150 nan 0.000 0.442 1043 K N -0.563 119.900 120.400 0.105 0.000 2.063 1043 K HA -0.217 4.102 4.320 -0.002 0.000 0.208 1043 K C 2.137 178.799 176.600 0.104 0.000 1.048 1043 K CA 1.662 57.998 56.287 0.082 0.000 0.928 1043 K CB -0.171 32.359 32.500 0.049 0.000 0.713 1043 K HN 0.719 nan 8.250 nan 0.000 0.442 1044 E N 0.287 120.558 120.200 0.119 0.000 2.051 1044 E HA -0.203 4.146 4.350 -0.002 0.000 0.192 1044 E C 1.898 178.590 176.600 0.153 0.000 0.991 1044 E CA 0.973 57.438 56.400 0.109 0.000 0.799 1044 E CB -0.122 29.642 29.700 0.106 0.000 0.748 1044 E HN 0.240 nan 8.360 nan 0.000 0.449 1045 F N 0.964 120.970 119.950 0.093 0.000 2.102 1045 F HA -0.155 4.371 4.527 -0.001 0.000 0.298 1045 F C 2.154 178.058 175.800 0.174 0.000 1.105 1045 F CA 1.662 59.765 58.000 0.172 0.000 1.239 1045 F CB -0.347 38.744 39.000 0.153 0.000 0.991 1045 F HN 0.107 nan 8.300 nan 0.000 0.474 1046 A N -0.329 122.695 122.820 0.341 0.000 1.933 1046 A HA -0.206 4.113 4.320 -0.002 0.000 0.218 1046 A C 2.169 179.796 177.584 0.072 0.000 1.175 1046 A CA 1.593 53.754 52.037 0.205 0.000 0.628 1046 A CB -0.665 18.422 19.000 0.144 0.000 0.814 1046 A HN 0.487 nan 8.150 nan 0.000 0.444 1047 Q N -0.391 119.432 119.800 0.039 0.000 2.020 1047 Q HA -0.147 4.192 4.340 -0.002 0.000 0.198 1047 Q C 2.164 178.112 176.000 -0.088 0.000 0.974 1047 Q CA 1.773 57.566 55.803 -0.017 0.000 0.829 1047 Q CB -0.369 28.363 28.738 -0.010 0.000 0.894 1047 Q HN 0.794 nan 8.270 nan 0.000 0.433 1048 K N -0.221 120.087 120.400 -0.153 0.000 2.103 1048 K HA -0.168 4.151 4.320 -0.002 0.000 0.207 1048 K C 1.342 177.647 176.600 -0.491 0.000 1.048 1048 K CA 1.265 57.349 56.287 -0.339 0.000 0.930 1048 K CB 0.031 32.263 32.500 -0.447 0.000 0.716 1048 K HN 0.306 nan 8.250 nan 0.000 0.444 1049 H N -0.566 118.330 119.070 -0.291 0.000 2.586 1049 H HA 0.045 4.600 4.556 -0.002 0.000 0.273 1049 H C -0.447 174.797 175.328 -0.140 0.000 0.997 1049 H CA 0.468 56.347 56.048 -0.281 0.000 1.177 1049 H CB 0.413 29.886 29.762 -0.481 0.000 1.471 1049 H HN 0.336 nan 8.280 nan 0.000 0.538 1050 D N 0.913 121.300 120.400 -0.021 0.000 2.760 1050 D HA -0.150 4.489 4.640 -0.002 0.000 0.244 1050 D C -0.885 175.434 176.300 0.031 0.000 1.123 1050 D CA 0.192 54.189 54.000 -0.005 0.000 0.719 1050 D CB -1.300 39.485 40.800 -0.024 0.000 1.045 1050 D HN 0.358 nan 8.370 nan 0.000 0.426 1051 I N 0.908 121.514 120.570 0.059 0.000 2.378 1051 I HA 0.306 4.475 4.170 -0.002 0.000 0.291 1051 I C -1.042 175.104 176.117 0.049 0.000 0.992 1051 I CA -2.001 59.347 61.300 0.079 0.000 1.154 1051 I CB 1.687 39.775 38.000 0.146 0.000 1.315 1051 I HN -0.066 nan 8.210 nan 0.000 0.448 1052 P HA -0.113 nan 4.420 nan 0.000 0.220 1052 P C 0.142 177.429 177.300 -0.022 0.000 1.148 1052 P CA 1.169 64.276 63.100 0.011 0.000 0.803 1052 P CB 0.309 32.020 31.700 0.018 0.000 0.782 1053 K N -0.063 120.312 120.400 -0.042 0.000 2.397 1053 K HA 0.653 4.972 4.320 -0.002 0.000 0.253 1053 K C -1.512 174.938 176.600 -0.251 0.000 0.932 1053 K CA -0.775 55.407 56.287 -0.176 0.000 0.795 1053 K CB 1.955 34.335 32.500 -0.199 0.000 1.159 1053 K HN -0.093 nan 8.250 nan 0.000 0.424 1054 A N 3.285 125.892 122.820 -0.356 0.000 2.386 1054 A HA 0.759 5.078 4.320 -0.002 0.000 0.311 1054 A C -1.734 175.604 177.584 -0.412 0.000 1.068 1054 A CA -0.543 51.346 52.037 -0.248 0.000 0.743 1054 A CB 0.619 19.588 19.000 -0.051 0.000 1.258 1054 A HN 0.604 nan 8.150 nan 0.000 0.429 1055 Y N -0.240 120.108 120.300 0.081 0.000 2.512 1055 Y HA 0.541 5.090 4.550 -0.001 0.000 0.348 1055 Y C 1.210 177.149 175.900 0.065 0.000 0.990 1055 Y CA -0.233 57.909 58.100 0.069 0.000 1.033 1055 Y CB 2.532 41.038 38.460 0.077 0.000 1.259 1055 Y HN 0.705 nan 8.280 nan 0.000 0.461 1056 G N 0.135 109.063 108.800 0.214 0.000 3.189 1056 G HA2 0.322 4.281 3.960 -0.002 0.000 0.225 1056 G HA3 0.322 4.281 3.960 -0.002 0.000 0.225 1056 G C -0.274 174.655 174.900 0.048 0.000 1.159 1056 G CA 0.390 45.554 45.100 0.107 0.000 0.763 1056 G HN 0.516 nan 8.290 nan 0.000 0.549 1057 S N -1.734 114.013 115.700 0.077 0.000 2.579 1057 S HA 0.479 4.948 4.470 -0.002 0.000 0.272 1057 S C 0.270 174.929 174.600 0.099 0.000 1.141 1057 S CA -0.738 57.444 58.200 -0.031 0.000 0.843 1057 S CB 1.121 64.287 63.200 -0.056 0.000 1.122 1057 S HN -0.045 nan 8.310 nan 0.000 0.468 1058 Y N 0.730 121.025 120.300 -0.008 0.000 2.263 1058 Y HA 0.101 4.650 4.550 -0.002 0.000 0.292 1058 Y C 2.582 178.443 175.900 -0.065 0.000 1.130 1058 Y CA 1.207 59.293 58.100 -0.023 0.000 1.179 1058 Y CB -1.007 37.441 38.460 -0.020 0.000 0.998 1058 Y HN 0.915 nan 8.280 nan 0.000 0.532 1059 E N 0.989 121.235 120.200 0.077 0.000 2.118 1059 E HA -0.214 4.135 4.350 -0.002 0.000 0.195 1059 E C 1.801 178.346 176.600 -0.093 0.000 0.992 1059 E CA 1.778 58.175 56.400 -0.005 0.000 0.804 1059 E CB -0.136 29.553 29.700 -0.017 0.000 0.741 1059 E HN 0.531 nan 8.360 nan 0.000 0.458 1060 E N -0.118 119.990 120.200 -0.154 0.000 2.085 1060 E HA -0.190 4.159 4.350 -0.002 0.000 0.194 1060 E C 2.194 178.358 176.600 -0.726 0.000 0.994 1060 E CA 1.217 57.378 56.400 -0.398 0.000 0.801 1060 E CB -0.217 29.250 29.700 -0.389 0.000 0.743 1060 E HN 0.341 nan 8.360 nan 0.000 0.453 1061 L N 0.414 121.329 121.223 -0.514 0.000 2.056 1061 L HA -0.112 4.227 4.340 -0.002 0.000 0.207 1061 L C 2.348 179.133 176.870 -0.142 0.000 1.078 1061 L CA 1.341 55.997 54.840 -0.307 0.000 0.749 1061 L CB -0.238 41.845 42.059 0.041 0.000 0.901 1061 L HN 0.081 nan 8.230 nan 0.000 0.433 1062 A N -0.101 122.666 122.820 -0.088 0.000 1.948 1062 A HA -0.273 4.046 4.320 -0.002 0.000 0.220 1062 A C 2.231 179.776 177.584 -0.064 0.000 1.177 1062 A CA 2.161 54.168 52.037 -0.049 0.000 0.636 1062 A CB -0.476 18.509 19.000 -0.026 0.000 0.815 1062 A HN 0.507 nan 8.150 nan 0.000 0.449 1063 K N -0.243 120.092 120.400 -0.108 0.000 2.459 1063 K HA -0.006 4.313 4.320 -0.002 0.000 0.193 1063 K C -0.035 176.517 176.600 -0.080 0.000 1.030 1063 K CA 0.140 56.374 56.287 -0.088 0.000 1.026 1063 K CB 0.096 32.542 32.500 -0.090 0.000 0.809 1063 K HN 0.392 nan 8.250 nan 0.000 0.504 1064 D N 1.927 122.265 120.400 -0.103 0.000 2.382 1064 D HA -0.019 4.620 4.640 -0.002 0.000 0.259 1064 D C -1.563 174.748 176.300 0.019 0.000 1.224 1064 D CA -1.844 52.149 54.000 -0.011 0.000 0.894 1064 D CB 1.249 42.091 40.800 0.070 0.000 1.127 1064 D HN -0.005 nan 8.370 nan 0.000 0.487 1065 P HA -0.086 nan 4.420 nan 0.000 0.226 1065 P C 0.655 177.969 177.300 0.023 0.000 1.153 1065 P CA 0.499 63.610 63.100 0.017 0.000 0.777 1065 P CB 0.462 32.172 31.700 0.017 0.000 0.794 1066 N N -0.355 118.373 118.700 0.045 0.000 2.457 1066 N HA 0.003 4.742 4.740 -0.002 0.000 0.180 1066 N C 0.348 175.882 175.510 0.039 0.000 1.050 1066 N CA 0.336 53.412 53.050 0.044 0.000 0.906 1066 N CB -0.067 38.459 38.487 0.066 0.000 0.968 1066 N HN 0.069 nan 8.380 nan 0.000 0.445 1067 V N 1.718 121.660 119.914 0.046 0.000 2.461 1067 V HA 0.076 4.195 4.120 -0.002 0.000 0.275 1067 V C 1.123 177.208 176.094 -0.016 0.000 1.047 1067 V CA -0.033 62.290 62.300 0.038 0.000 0.955 1067 V CB 1.517 33.382 31.823 0.070 0.000 0.988 1067 V HN 0.129 nan 8.190 nan 0.000 0.471 1068 E N 3.263 123.422 120.200 -0.068 0.000 2.162 1068 E HA 0.133 4.482 4.350 -0.002 0.000 0.193 1068 E C 0.116 176.623 176.600 -0.156 0.000 0.953 1068 E CA 0.476 56.803 56.400 -0.120 0.000 0.849 1068 E CB 1.145 30.741 29.700 -0.175 0.000 0.810 1068 E HN 0.443 nan 8.360 nan 0.000 0.470 1069 V N 0.538 120.318 119.914 -0.223 0.000 2.638 1069 V HA 0.654 4.773 4.120 -0.002 0.000 0.306 1069 V C -1.627 174.443 176.094 -0.039 0.000 1.052 1069 V CA -0.756 61.400 62.300 -0.239 0.000 0.885 1069 V CB 1.582 33.040 31.823 -0.608 0.000 0.999 1069 V HN 0.119 nan 8.190 nan 0.000 0.424 1070 A N 5.716 128.572 122.820 0.060 0.000 2.292 1070 A HA 0.686 5.005 4.320 -0.002 0.000 0.319 1070 A C -1.229 176.514 177.584 0.265 0.000 1.206 1070 A CA -0.453 51.678 52.037 0.156 0.000 0.835 1070 A CB 0.679 19.712 19.000 0.054 0.000 1.164 1070 A HN 1.199 nan 8.150 nan 0.000 0.505 1071 Y N 3.204 123.653 120.300 0.248 0.000 2.367 1071 Y HA 0.479 5.028 4.550 -0.001 0.000 0.342 1071 Y C -0.609 175.262 175.900 -0.049 0.000 0.979 1071 Y CA -0.472 57.714 58.100 0.142 0.000 1.161 1071 Y CB 1.128 39.713 38.460 0.207 0.000 1.155 1071 Y HN 0.360 nan 8.280 nan 0.000 0.503 1072 V N 6.898 126.422 119.914 -0.649 0.000 2.304 1072 V HA 0.335 4.454 4.120 -0.002 0.000 0.269 1072 V C 0.709 176.262 176.094 -0.902 0.000 1.036 1072 V CA 0.197 62.125 62.300 -0.620 0.000 0.840 1072 V CB 0.922 32.488 31.823 -0.428 0.000 1.036 1072 V HN 1.044 nan 8.190 nan 0.000 0.466 1073 G N 2.825 111.201 108.800 -0.706 0.000 3.690 1073 G HA2 0.176 4.135 3.960 -0.002 0.000 0.283 1073 G HA3 0.176 4.135 3.960 -0.002 0.000 0.283 1073 G C 0.642 175.454 174.900 -0.147 0.000 1.057 1073 G CA 0.334 45.154 45.100 -0.467 0.000 0.821 1073 G HN 0.680 nan 8.290 nan 0.000 0.526 1074 T N -2.177 112.322 114.554 -0.093 0.000 2.726 1074 T HA 0.306 4.655 4.350 -0.002 0.000 0.294 1074 T C 0.460 175.213 174.700 0.088 0.000 1.013 1074 T CA -0.437 61.682 62.100 0.032 0.000 0.996 1074 T CB 1.023 69.928 68.868 0.061 0.000 1.016 1074 T HN 0.221 nan 8.240 nan 0.000 0.529 1075 Q N 0.140 119.932 119.800 -0.013 0.000 2.524 1075 Q HA 0.056 4.395 4.340 -0.002 0.000 0.246 1075 Q C 1.591 177.413 176.000 -0.298 0.000 1.063 1075 Q CA -0.006 55.710 55.803 -0.146 0.000 0.945 1075 Q CB 0.321 28.961 28.738 -0.164 0.000 1.292 1075 Q HN 0.856 nan 8.270 nan 0.000 0.518 1076 H N 0.797 119.584 119.070 -0.473 0.000 2.289 1076 H HA -0.173 4.381 4.556 -0.002 0.000 0.294 1076 H C -0.758 174.187 175.328 -0.639 0.000 1.095 1076 H CA 1.286 56.883 56.048 -0.752 0.000 1.256 1076 H CB -0.960 28.521 29.762 -0.468 0.000 1.359 1076 H HN 0.536 nan 8.280 nan 0.000 0.487 1077 P HA -0.080 nan 4.420 nan 0.000 0.226 1077 P C 0.830 178.033 177.300 -0.162 0.000 1.153 1077 P CA 1.147 64.097 63.100 -0.250 0.000 0.777 1077 P CB 0.193 31.739 31.700 -0.257 0.000 0.794 1078 Q N -2.327 117.393 119.800 -0.134 0.000 2.392 1078 Q HA 0.015 4.354 4.340 -0.002 0.000 0.203 1078 Q C 1.617 177.655 176.000 0.065 0.000 0.917 1078 Q CA 0.507 56.303 55.803 -0.012 0.000 0.939 1078 Q CB -0.755 28.008 28.738 0.043 0.000 1.063 1078 Q HN 0.501 nan 8.270 nan 0.000 0.516 1079 H N -0.040 118.996 119.070 -0.057 0.000 2.290 1079 H HA -0.141 4.414 4.556 -0.002 0.000 0.298 1079 H C 1.867 177.154 175.328 -0.069 0.000 1.087 1079 H CA 1.261 57.257 56.048 -0.086 0.000 1.291 1079 H CB 0.269 29.972 29.762 -0.099 0.000 1.369 1079 H HN 0.098 nan 8.280 nan 0.000 0.492 1080 K N 0.906 121.352 120.400 0.077 0.000 2.009 1080 K HA -0.157 4.162 4.320 -0.002 0.000 0.210 1080 K C 2.471 179.083 176.600 0.020 0.000 1.049 1080 K CA 1.150 57.454 56.287 0.029 0.000 0.929 1080 K CB -0.161 32.342 32.500 0.005 0.000 0.714 1080 K HN 0.229 nan 8.250 nan 0.000 0.440 1081 A N 0.910 123.747 122.820 0.028 0.000 1.933 1081 A HA -0.095 4.224 4.320 -0.002 0.000 0.218 1081 A C 2.287 179.903 177.584 0.053 0.000 1.175 1081 A CA 1.894 53.952 52.037 0.036 0.000 0.628 1081 A CB -0.686 18.338 19.000 0.040 0.000 0.814 1081 A HN 0.505 nan 8.150 nan 0.000 0.444 1082 A N -0.562 122.297 122.820 0.066 0.000 1.898 1082 A HA 0.043 4.362 4.320 -0.002 0.000 0.216 1082 A C 2.222 179.790 177.584 -0.026 0.000 1.181 1082 A CA 1.655 53.713 52.037 0.036 0.000 0.620 1082 A CB -0.938 18.016 19.000 -0.076 0.000 0.819 1082 A HN 0.369 nan 8.150 nan 0.000 0.442 1083 V N 0.194 120.083 119.914 -0.040 0.000 2.287 1083 V HA -0.325 3.794 4.120 -0.002 0.000 0.248 1083 V C 2.716 178.796 176.094 -0.024 0.000 1.053 1083 V CA 2.140 64.411 62.300 -0.049 0.000 1.027 1083 V CB -0.721 31.068 31.823 -0.056 0.000 0.646 1083 V HN 0.505 nan 8.190 nan 0.000 0.447 1084 M N -0.881 118.712 119.600 -0.010 0.000 2.108 1084 M HA -0.148 4.331 4.480 -0.002 0.000 0.261 1084 M C 2.242 178.542 176.300 -0.001 0.000 1.066 1084 M CA 1.808 57.105 55.300 -0.005 0.000 1.107 1084 M CB -1.211 31.388 32.600 -0.001 0.000 1.356 1084 M HN 0.292 nan 8.290 nan 0.000 0.406 1085 L N -0.603 120.625 121.223 0.008 0.000 1.989 1085 L HA -0.305 4.034 4.340 -0.002 0.000 0.211 1085 L C 2.698 179.568 176.870 0.001 0.000 1.071 1085 L CA 1.410 56.257 54.840 0.012 0.000 0.749 1085 L CB -0.764 41.319 42.059 0.039 0.000 0.890 1085 L HN 0.353 nan 8.230 nan 0.000 0.431 1086 C N -0.385 118.911 119.300 -0.006 0.000 2.432 1086 C HA -0.138 4.321 4.460 -0.002 0.000 0.277 1086 C C 2.755 177.740 174.990 -0.009 0.000 1.249 1086 C CA 0.384 59.395 59.018 -0.011 0.000 1.725 1086 C CB -0.806 26.922 27.740 -0.019 0.000 2.028 1086 C HN 0.424 nan 8.230 nan 0.000 0.477 1087 L N 1.171 122.388 121.223 -0.010 0.000 2.046 1087 L HA -0.146 4.193 4.340 -0.002 0.000 0.208 1087 L C 2.907 179.773 176.870 -0.007 0.000 1.077 1087 L CA 1.613 56.448 54.840 -0.008 0.000 0.747 1087 L CB -0.843 41.209 42.059 -0.012 0.000 0.896 1087 L HN 0.326 nan 8.230 nan 0.000 0.432 1088 A N 0.016 122.832 122.820 -0.007 0.000 1.978 1088 A HA -0.132 4.187 4.320 -0.002 0.000 0.220 1088 A C 2.257 179.836 177.584 -0.008 0.000 1.170 1088 A CA 1.729 53.762 52.037 -0.007 0.000 0.636 1088 A CB -0.539 18.458 19.000 -0.006 0.000 0.810 1088 A HN 0.415 nan 8.150 nan 0.000 0.448 1089 A N -1.952 120.862 122.820 -0.010 0.000 2.307 1089 A HA 0.443 4.762 4.320 -0.002 0.000 0.218 1089 A C 1.599 179.176 177.584 -0.012 0.000 1.228 1089 A CA 1.039 53.068 52.037 -0.013 0.000 0.857 1089 A CB -0.851 18.138 19.000 -0.018 0.000 0.897 1089 A HN 1.879 nan 8.150 nan 0.000 0.495 1090 G N -0.725 108.069 108.800 -0.009 0.000 2.132 1090 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.228 1090 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.228 1090 G C -0.043 174.852 174.900 -0.009 0.000 1.000 1090 G CA 0.371 45.466 45.100 -0.008 0.000 0.693 1090 G HN 0.409 nan 8.290 nan 0.000 0.515 1091 K N 0.566 120.962 120.400 -0.007 0.000 2.143 1091 K HA 0.801 5.120 4.320 -0.002 0.000 0.272 1091 K C 0.789 177.394 176.600 0.009 0.000 1.001 1091 K CA 0.327 56.608 56.287 -0.009 0.000 0.915 1091 K CB 1.346 33.841 32.500 -0.008 0.000 1.047 1091 K HN 0.682 nan 8.250 nan 0.000 0.458 1092 A N 1.637 124.462 122.820 0.009 0.000 2.425 1092 A HA 0.442 4.761 4.320 -0.002 0.000 0.242 1092 A C -0.618 177.016 177.584 0.083 0.000 1.077 1092 A CA -0.310 51.778 52.037 0.084 0.000 0.781 1092 A CB 0.379 19.415 19.000 0.060 0.000 1.020 1092 A HN 0.382 nan 8.150 nan 0.000 0.494 1093 V N 2.066 122.073 119.914 0.155 0.000 2.686 1093 V HA 0.407 4.526 4.120 -0.002 0.000 0.306 1093 V C -0.956 175.239 176.094 0.168 0.000 1.065 1093 V CA -0.467 61.894 62.300 0.101 0.000 0.894 1093 V CB 1.566 33.395 31.823 0.011 0.000 1.004 1093 V HN 0.827 nan 8.190 nan 0.000 0.424 1094 L N 5.611 126.951 121.223 0.195 0.000 2.294 1094 L HA 0.697 5.036 4.340 -0.002 0.000 0.283 1094 L C -0.500 176.347 176.870 -0.038 0.000 1.015 1094 L CA 0.094 55.058 54.840 0.206 0.000 0.831 1094 L CB 0.966 43.288 42.059 0.439 0.000 1.217 1094 L HN 0.846 nan 8.230 nan 0.000 0.420 1095 C N 5.154 124.372 119.300 -0.137 0.000 2.329 1095 C HA 0.554 5.013 4.460 -0.002 0.000 0.329 1095 C C 0.417 175.164 174.990 -0.405 0.000 1.275 1095 C CA -0.662 58.146 59.018 -0.350 0.000 1.726 1095 C CB 0.633 28.199 27.740 -0.290 0.000 2.291 1095 C HN 0.850 nan 8.230 nan 0.000 0.514 1096 E N 3.176 122.989 120.200 -0.645 0.000 2.422 1096 E HA 0.077 4.426 4.350 -0.002 0.000 0.260 1096 E C -0.019 176.390 176.600 -0.319 0.000 1.108 1096 E CA 0.330 56.452 56.400 -0.463 0.000 0.943 1096 E CB 0.648 30.090 29.700 -0.430 0.000 0.961 1096 E HN 0.769 nan 8.360 nan 0.000 0.443 1097 K N 1.954 122.284 120.400 -0.116 0.000 2.118 1097 K HA 0.398 4.717 4.320 -0.002 0.000 0.264 1097 K C -2.380 174.182 176.600 -0.065 0.000 1.000 1097 K CA -1.661 54.576 56.287 -0.082 0.000 0.929 1097 K CB 0.616 33.042 32.500 -0.123 0.000 1.021 1097 K HN 0.089 nan 8.250 nan 0.000 0.463 1098 P HA -0.049 nan 4.420 nan 0.000 0.271 1098 P C 0.616 177.908 177.300 -0.013 0.000 1.218 1098 P CA -0.298 62.705 63.100 -0.161 0.000 0.780 1098 P CB 0.841 32.395 31.700 -0.242 0.000 0.901 1099 M N 1.456 121.045 119.600 -0.018 0.000 2.080 1099 M HA -0.063 4.416 4.480 -0.002 0.000 0.260 1099 M C 0.794 177.166 176.300 0.120 0.000 1.068 1099 M CA 2.278 57.587 55.300 0.015 0.000 1.109 1099 M CB -0.486 32.090 32.600 -0.039 0.000 1.342 1099 M HN 0.532 nan 8.290 nan 0.000 0.405 1100 G N -1.643 107.172 108.800 0.025 0.000 2.630 1100 G HA2 0.439 4.397 3.960 -0.002 0.000 0.296 1100 G HA3 0.439 4.397 3.960 -0.002 0.000 0.296 1100 G C 0.122 174.984 174.900 -0.063 0.000 1.285 1100 G CA -0.094 45.002 45.100 -0.007 0.000 0.958 1100 G HN 0.244 nan 8.290 nan 0.000 0.479 1101 V N -1.791 118.075 119.914 -0.080 0.000 3.306 1101 V HA 0.221 4.340 4.120 -0.002 0.000 0.264 1101 V C 0.472 176.622 176.094 0.094 0.000 1.149 1101 V CA 1.231 63.494 62.300 -0.061 0.000 1.143 1101 V CB -1.409 30.286 31.823 -0.213 0.000 0.767 1101 V HN 0.805 nan 8.190 nan 0.000 0.476 1102 N N -1.532 117.202 118.700 0.057 0.000 2.972 1102 N HA 0.627 5.366 4.740 -0.002 0.000 0.262 1102 N C 0.471 175.997 175.510 0.027 0.000 1.478 1102 N CA -0.152 52.938 53.050 0.066 0.000 0.841 1102 N CB 1.051 39.593 38.487 0.091 0.000 1.512 1102 N HN 0.063 nan 8.380 nan 0.000 0.548 1103 A N -0.224 122.608 122.820 0.021 0.000 1.933 1103 A HA 0.157 4.476 4.320 -0.002 0.000 0.218 1103 A C 2.036 179.623 177.584 0.006 0.000 1.175 1103 A CA 2.153 54.195 52.037 0.009 0.000 0.628 1103 A CB -1.444 17.560 19.000 0.007 0.000 0.814 1103 A HN 0.900 nan 8.150 nan 0.000 0.444 1104 A N -0.039 122.786 122.820 0.009 0.000 1.902 1104 A HA -0.172 4.146 4.320 -0.002 0.000 0.217 1104 A C 1.918 179.503 177.584 0.002 0.000 1.181 1104 A CA 1.582 53.622 52.037 0.005 0.000 0.623 1104 A CB -0.511 18.494 19.000 0.009 0.000 0.818 1104 A HN 0.633 nan 8.150 nan 0.000 0.443 1105 E N -0.268 119.934 120.200 0.003 0.000 2.058 1105 E HA -0.149 4.200 4.350 -0.002 0.000 0.194 1105 E C 2.040 178.636 176.600 -0.007 0.000 0.997 1105 E CA 1.486 57.884 56.400 -0.003 0.000 0.801 1105 E CB -0.361 29.335 29.700 -0.007 0.000 0.746 1105 E HN 0.420 nan 8.360 nan 0.000 0.450 1106 V N 1.401 121.311 119.914 -0.007 0.000 2.295 1106 V HA -0.265 3.854 4.120 -0.002 0.000 0.246 1106 V C 2.306 178.391 176.094 -0.015 0.000 1.049 1106 V CA 1.751 64.043 62.300 -0.013 0.000 1.024 1106 V CB -0.555 31.260 31.823 -0.013 0.000 0.648 1106 V HN 0.209 nan 8.190 nan 0.000 0.447 1107 R N -0.169 120.325 120.500 -0.010 0.000 2.091 1107 R HA -0.236 4.102 4.340 -0.002 0.000 0.238 1107 R C 2.407 178.699 176.300 -0.012 0.000 1.136 1107 R CA 1.909 58.003 56.100 -0.011 0.000 0.959 1107 R CB -0.353 29.943 30.300 -0.007 0.000 0.856 1107 R HN 0.697 nan 8.270 nan 0.000 0.437 1108 E N 0.769 120.962 120.200 -0.010 0.000 2.051 1108 E HA -0.205 4.144 4.350 -0.002 0.000 0.192 1108 E C 2.026 178.617 176.600 -0.015 0.000 0.991 1108 E CA 1.239 57.632 56.400 -0.010 0.000 0.799 1108 E CB 0.023 29.719 29.700 -0.007 0.000 0.748 1108 E HN 0.254 nan 8.360 nan 0.000 0.449 1109 M N 0.079 119.668 119.600 -0.019 0.000 2.086 1109 M HA -0.163 4.316 4.480 -0.002 0.000 0.261 1109 M C 2.364 178.644 176.300 -0.034 0.000 1.067 1109 M CA 1.135 56.419 55.300 -0.026 0.000 1.116 1109 M CB -0.079 32.502 32.600 -0.031 0.000 1.348 1109 M HN 0.086 nan 8.290 nan 0.000 0.407 1110 V N 0.013 119.906 119.914 -0.034 0.000 2.295 1110 V HA -0.259 3.860 4.120 -0.002 0.000 0.246 1110 V C 2.328 178.404 176.094 -0.031 0.000 1.049 1110 V CA 2.304 64.580 62.300 -0.040 0.000 1.024 1110 V CB -1.036 30.766 31.823 -0.035 0.000 0.648 1110 V HN 0.509 nan 8.190 nan 0.000 0.447 1111 T N -0.435 114.106 114.554 -0.022 0.000 2.720 1111 T HA -0.244 4.105 4.350 -0.002 0.000 0.268 1111 T C 1.904 176.594 174.700 -0.016 0.000 1.037 1111 T CA 1.908 63.998 62.100 -0.017 0.000 1.144 1111 T CB -0.206 68.654 68.868 -0.012 0.000 0.864 1111 T HN 0.584 nan 8.240 nan 0.000 0.444 1112 E N 1.540 121.729 120.200 -0.018 0.000 2.051 1112 E HA -0.036 4.313 4.350 -0.002 0.000 0.192 1112 E C 2.246 178.835 176.600 -0.018 0.000 0.991 1112 E CA 1.413 57.804 56.400 -0.016 0.000 0.799 1112 E CB -0.592 29.099 29.700 -0.015 0.000 0.748 1112 E HN 0.409 nan 8.360 nan 0.000 0.449 1113 A N 0.786 123.590 122.820 -0.027 0.000 1.902 1113 A HA -0.195 4.124 4.320 -0.002 0.000 0.217 1113 A C 2.268 179.838 177.584 -0.023 0.000 1.181 1113 A CA 1.807 53.826 52.037 -0.030 0.000 0.623 1113 A CB -0.551 18.414 19.000 -0.058 0.000 0.818 1113 A HN 0.240 nan 8.150 nan 0.000 0.443 1114 R N 0.067 120.553 120.500 -0.025 0.000 2.081 1114 R HA -0.115 4.224 4.340 -0.002 0.000 0.235 1114 R C 2.625 178.920 176.300 -0.009 0.000 1.131 1114 R CA 1.694 57.784 56.100 -0.017 0.000 0.960 1114 R CB -0.387 29.903 30.300 -0.017 0.000 0.856 1114 R HN 0.726 nan 8.270 nan 0.000 0.436 1115 S N 0.284 115.979 115.700 -0.009 0.000 2.428 1115 S HA -0.022 4.447 4.470 -0.002 0.000 0.230 1115 S C 1.749 176.347 174.600 -0.004 0.000 1.014 1115 S CA 0.568 58.765 58.200 -0.006 0.000 0.957 1115 S CB 0.100 63.296 63.200 -0.006 0.000 0.784 1115 S HN 0.150 nan 8.310 nan 0.000 0.499 1116 R N 0.964 121.461 120.500 -0.004 0.000 2.334 1116 R HA 0.268 4.607 4.340 -0.002 0.000 0.216 1116 R C 1.363 177.665 176.300 0.003 0.000 0.905 1116 R CA 0.548 56.647 56.100 -0.002 0.000 1.064 1116 R CB -0.775 29.523 30.300 -0.003 0.000 1.046 1116 R HN 0.617 nan 8.270 nan 0.000 0.508 1117 G N 2.040 110.843 108.800 0.004 0.000 2.314 1117 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.292 1117 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.292 1117 G C -0.217 174.697 174.900 0.023 0.000 1.059 1117 G CA 0.218 45.325 45.100 0.011 0.000 0.982 1117 G HN 0.196 nan 8.290 nan 0.000 0.505 1118 L N -0.963 120.274 121.223 0.024 0.000 2.362 1118 L HA 0.667 5.006 4.340 -0.002 0.000 0.271 1118 L C 0.556 177.470 176.870 0.073 0.000 1.002 1118 L CA -1.474 53.396 54.840 0.050 0.000 0.818 1118 L CB 1.702 43.780 42.059 0.030 0.000 1.298 1118 L HN 0.158 nan 8.230 nan 0.000 0.420 1119 F N 3.427 123.360 119.950 -0.029 0.000 2.578 1119 F HA 0.373 4.900 4.527 -0.001 0.000 0.376 1119 F C -0.520 175.270 175.800 -0.016 0.000 1.085 1119 F CA 0.103 58.090 58.000 -0.022 0.000 1.260 1119 F CB 0.604 39.581 39.000 -0.039 0.000 1.095 1119 F HN 0.288 nan 8.300 nan 0.000 0.573 1120 L N 8.271 129.112 121.223 -0.636 0.000 2.455 1120 L HA 0.620 4.959 4.340 -0.002 0.000 0.264 1120 L C -1.642 174.810 176.870 -0.697 0.000 0.968 1120 L CA -0.634 53.938 54.840 -0.447 0.000 0.827 1120 L CB 1.887 43.814 42.059 -0.220 0.000 1.317 1120 L HN 0.818 nan 8.230 nan 0.000 0.407 1121 M N 3.292 122.678 119.600 -0.356 0.000 2.371 1121 M HA 0.411 4.890 4.480 -0.002 0.000 0.287 1121 M C -1.372 174.923 176.300 -0.008 0.000 1.149 1121 M CA -0.507 54.701 55.300 -0.154 0.000 0.929 1121 M CB 2.222 34.855 32.600 0.055 0.000 1.683 1121 M HN 0.799 nan 8.290 nan 0.000 0.470 1122 E N 2.396 122.605 120.200 0.016 0.000 2.289 1122 E HA 0.450 4.799 4.350 -0.002 0.000 0.278 1122 E C -0.414 176.254 176.600 0.113 0.000 1.032 1122 E CA -0.143 56.267 56.400 0.017 0.000 0.854 1122 E CB 1.275 30.976 29.700 0.002 0.000 1.046 1122 E HN 0.718 nan 8.360 nan 0.000 0.409 1123 A N 6.739 129.605 122.820 0.077 0.000 3.051 1123 A HA 0.162 4.481 4.320 -0.002 0.000 0.257 1123 A C 0.159 177.910 177.584 0.278 0.000 1.785 1123 A CA -0.186 51.955 52.037 0.173 0.000 1.420 1123 A CB -0.743 18.286 19.000 0.048 0.000 1.063 1123 A HN 0.647 nan 8.150 nan 0.000 0.630 1124 I N 2.613 123.392 120.570 0.348 0.000 2.227 1124 I HA -0.019 4.150 4.170 -0.002 0.000 0.297 1124 I C 1.302 177.777 176.117 0.596 0.000 1.173 1124 I CA -0.477 61.043 61.300 0.366 0.000 1.356 1124 I CB 0.111 38.215 38.000 0.174 0.000 1.485 1124 I HN 0.895 nan 8.210 nan 0.000 0.604 1125 W N 3.838 125.396 121.300 0.428 0.000 2.392 1125 W HA -0.120 4.538 4.660 -0.002 0.000 0.279 1125 W C 1.511 178.440 176.519 0.684 0.000 1.225 1125 W CA 0.920 58.627 57.345 0.604 0.000 1.233 1125 W CB -1.896 27.892 29.460 0.547 0.000 1.122 1125 W HN 0.295 nan 8.180 nan 0.000 0.561 1126 T N 2.109 116.773 114.554 0.183 0.000 2.721 1126 T HA -0.252 4.097 4.350 -0.002 0.000 0.268 1126 T C 1.854 176.549 174.700 -0.008 0.000 1.038 1126 T CA 2.463 64.471 62.100 -0.154 0.000 1.145 1126 T CB -0.405 68.423 68.868 -0.067 0.000 0.858 1126 T HN 0.193 nan 8.240 nan 0.000 0.459 1127 R N 0.023 120.469 120.500 -0.090 0.000 2.237 1127 R HA 0.011 4.350 4.340 -0.002 0.000 0.219 1127 R C 1.495 177.458 176.300 -0.562 0.000 1.080 1127 R CA 0.915 56.761 56.100 -0.424 0.000 0.995 1127 R CB -0.344 29.529 30.300 -0.713 0.000 0.875 1127 R HN 0.473 nan 8.270 nan 0.000 0.462 1128 F N -0.983 119.031 119.950 0.106 0.000 2.749 1128 F HA 0.193 4.719 4.527 -0.002 0.000 0.300 1128 F C 0.641 176.349 175.800 -0.154 0.000 1.103 1128 F CA -0.571 57.439 58.000 0.016 0.000 1.342 1128 F CB -0.097 38.972 39.000 0.116 0.000 1.098 1128 F HN -0.214 nan 8.300 nan 0.000 0.586 1129 F N 2.289 122.111 119.950 -0.213 0.000 2.572 1129 F HA 0.090 4.616 4.527 -0.002 0.000 0.370 1129 F C -1.087 174.347 175.800 -0.609 0.000 1.103 1129 F CA -1.708 55.987 58.000 -0.508 0.000 1.286 1129 F CB 0.216 39.003 39.000 -0.356 0.000 1.105 1129 F HN -0.184 nan 8.300 nan 0.000 0.583 1130 P HA -0.289 nan 4.420 nan 0.000 0.217 1130 P C 1.266 177.976 177.300 -0.983 0.000 1.151 1130 P CA 2.221 64.940 63.100 -0.634 0.000 0.849 1130 P CB 0.027 31.450 31.700 -0.461 0.000 0.787 1131 A N -0.845 121.380 122.820 -0.992 0.000 1.908 1131 A HA -0.189 4.130 4.320 -0.002 0.000 0.218 1131 A C 2.327 179.616 177.584 -0.491 0.000 1.181 1131 A CA 2.257 53.730 52.037 -0.941 0.000 0.627 1131 A CB -1.459 17.303 19.000 -0.397 0.000 0.818 1131 A HN 0.159 nan 8.150 nan 0.000 0.445 1132 S N -0.176 115.321 115.700 -0.339 0.000 2.387 1132 S HA -0.113 4.355 4.470 -0.002 0.000 0.226 1132 S C 1.785 176.241 174.600 -0.239 0.000 1.026 1132 S CA 1.218 59.277 58.200 -0.235 0.000 0.972 1132 S CB -0.274 62.809 63.200 -0.195 0.000 0.814 1132 S HN 0.694 nan 8.310 nan 0.000 0.477 1133 E N 1.726 121.762 120.200 -0.272 0.000 2.106 1133 E HA -0.074 4.275 4.350 -0.002 0.000 0.192 1133 E C 2.379 178.865 176.600 -0.189 0.000 0.984 1133 E CA 1.015 57.287 56.400 -0.213 0.000 0.806 1133 E CB -0.281 29.307 29.700 -0.187 0.000 0.750 1133 E HN 0.515 nan 8.360 nan 0.000 0.458 1134 A N 1.736 124.398 122.820 -0.263 0.000 1.902 1134 A HA -0.167 4.152 4.320 -0.002 0.000 0.217 1134 A C 2.224 179.748 177.584 -0.101 0.000 1.181 1134 A CA 1.059 53.003 52.037 -0.154 0.000 0.623 1134 A CB -0.543 18.359 19.000 -0.163 0.000 0.818 1134 A HN 0.215 nan 8.150 nan 0.000 0.443 1135 L N 0.023 121.166 121.223 -0.134 0.000 2.046 1135 L HA -0.148 4.190 4.340 -0.002 0.000 0.208 1135 L C 2.413 179.217 176.870 -0.110 0.000 1.077 1135 L CA 1.964 56.745 54.840 -0.098 0.000 0.747 1135 L CB -0.615 41.392 42.059 -0.086 0.000 0.896 1135 L HN 0.347 nan 8.230 nan 0.000 0.432 1136 R N -1.017 119.404 120.500 -0.132 0.000 2.105 1136 R HA -0.125 4.214 4.340 -0.002 0.000 0.239 1136 R C 2.280 178.529 176.300 -0.085 0.000 1.135 1136 R CA 1.472 57.497 56.100 -0.125 0.000 0.967 1136 R CB -0.538 29.683 30.300 -0.132 0.000 0.861 1136 R HN 0.410 nan 8.270 nan 0.000 0.442 1137 S N 0.391 116.049 115.700 -0.069 0.000 2.368 1137 S HA -0.096 4.373 4.470 -0.002 0.000 0.225 1137 S C 2.117 176.697 174.600 -0.033 0.000 1.030 1137 S CA 1.121 59.297 58.200 -0.040 0.000 0.999 1137 S CB -0.129 63.056 63.200 -0.025 0.000 0.844 1137 S HN 0.079 nan 8.310 nan 0.000 0.459 1138 V N 2.224 122.116 119.914 -0.036 0.000 2.332 1138 V HA -0.197 3.922 4.120 -0.002 0.000 0.248 1138 V C 2.161 178.232 176.094 -0.038 0.000 1.055 1138 V CA 1.632 63.915 62.300 -0.029 0.000 1.038 1138 V CB -0.707 31.099 31.823 -0.028 0.000 0.651 1138 V HN 0.425 nan 8.190 nan 0.000 0.450 1139 L N -0.126 121.062 121.223 -0.059 0.000 2.027 1139 L HA -0.131 4.208 4.340 -0.002 0.000 0.206 1139 L C 2.738 179.583 176.870 -0.042 0.000 1.074 1139 L CA 1.566 56.368 54.840 -0.063 0.000 0.745 1139 L CB -0.844 41.154 42.059 -0.103 0.000 0.898 1139 L HN 0.353 nan 8.230 nan 0.000 0.433 1140 A N -0.446 122.350 122.820 -0.040 0.000 1.933 1140 A HA -0.242 4.077 4.320 -0.002 0.000 0.218 1140 A C 2.162 179.736 177.584 -0.015 0.000 1.175 1140 A CA 1.502 53.524 52.037 -0.025 0.000 0.628 1140 A CB -0.445 18.541 19.000 -0.024 0.000 0.814 1140 A HN 0.508 nan 8.150 nan 0.000 0.444 1141 Q N -1.714 118.077 119.800 -0.015 0.000 2.435 1141 Q HA 0.189 4.528 4.340 -0.002 0.000 0.207 1141 Q C 1.201 177.197 176.000 -0.007 0.000 0.956 1141 Q CA 0.405 56.203 55.803 -0.008 0.000 0.917 1141 Q CB -0.061 28.674 28.738 -0.006 0.000 0.997 1141 Q HN 0.901 nan 8.270 nan 0.000 0.497 1142 G N 0.472 109.266 108.800 -0.011 0.000 2.153 1142 G HA2 -0.319 3.639 3.960 -0.002 0.000 0.252 1142 G HA3 -0.319 3.639 3.960 -0.002 0.000 0.252 1142 G C 0.776 175.672 174.900 -0.007 0.000 0.994 1142 G CA 0.685 45.780 45.100 -0.007 0.000 0.698 1142 G HN 0.359 nan 8.290 nan 0.000 0.521 1143 T N 0.429 114.978 114.554 -0.009 0.000 2.778 1143 T HA -0.070 4.279 4.350 -0.002 0.000 0.269 1143 T C 2.200 176.895 174.700 -0.007 0.000 1.050 1143 T CA 1.409 63.505 62.100 -0.007 0.000 1.137 1143 T CB -0.105 68.759 68.868 -0.007 0.000 0.860 1143 T HN 0.466 nan 8.240 nan 0.000 0.468 1144 L N 0.260 121.477 121.223 -0.010 0.000 2.592 1144 L HA 0.312 4.651 4.340 -0.002 0.000 0.227 1144 L C 1.594 178.462 176.870 -0.003 0.000 1.127 1144 L CA -0.186 54.648 54.840 -0.009 0.000 0.884 1144 L CB -1.024 41.026 42.059 -0.015 0.000 1.065 1144 L HN 0.433 nan 8.230 nan 0.000 0.457 1145 G N 0.591 109.391 108.800 -0.001 0.000 2.593 1145 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.237 1145 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.237 1145 G C -0.655 174.248 174.900 0.006 0.000 1.312 1145 G CA -0.601 44.501 45.100 0.003 0.000 0.896 1145 G HN 0.208 nan 8.290 nan 0.000 0.574 1146 D N 1.063 121.468 120.400 0.008 0.000 2.383 1146 D HA 0.407 5.046 4.640 -0.002 0.000 0.252 1146 D C 1.287 177.598 176.300 0.018 0.000 1.166 1146 D CA 0.077 54.085 54.000 0.012 0.000 0.879 1146 D CB 0.603 41.409 40.800 0.009 0.000 1.164 1146 D HN 0.528 nan 8.370 nan 0.000 0.462 1147 L N 2.665 123.908 121.223 0.033 0.000 2.473 1147 L HA 0.133 4.472 4.340 -0.002 0.000 0.268 1147 L C 1.829 178.723 176.870 0.041 0.000 1.215 1147 L CA -0.190 54.685 54.840 0.058 0.000 0.823 1147 L CB 0.676 42.820 42.059 0.140 0.000 1.099 1147 L HN 0.275 nan 8.230 nan 0.000 0.483 1148 R N 0.797 121.320 120.500 0.038 0.000 2.437 1148 R HA 0.400 4.739 4.340 -0.002 0.000 0.184 1148 R C -0.641 175.609 176.300 -0.083 0.000 0.850 1148 R CA 0.291 56.383 56.100 -0.014 0.000 1.073 1148 R CB 0.933 31.227 30.300 -0.010 0.000 1.336 1148 R HN 0.438 nan 8.270 nan 0.000 0.640 1149 V N 0.135 120.038 119.914 -0.018 0.000 3.077 1149 V HA 0.759 4.878 4.120 -0.002 0.000 0.299 1149 V C -1.896 174.235 176.094 0.063 0.000 1.276 1149 V CA -0.623 61.638 62.300 -0.065 0.000 0.993 1149 V CB 2.140 33.812 31.823 -0.252 0.000 1.076 1149 V HN 0.323 nan 8.190 nan 0.000 0.434 1150 A N 4.659 127.546 122.820 0.112 0.000 2.380 1150 A HA 1.052 5.371 4.320 -0.002 0.000 0.315 1150 A C -0.813 176.868 177.584 0.162 0.000 1.101 1150 A CA -0.805 51.262 52.037 0.050 0.000 0.771 1150 A CB 2.034 20.886 19.000 -0.246 0.000 1.287 1150 A HN 1.146 nan 8.150 nan 0.000 0.436 1151 R N 0.054 120.672 120.500 0.196 0.000 2.584 1151 R HA 0.748 5.087 4.340 -0.002 0.000 0.276 1151 R C -1.330 175.028 176.300 0.098 0.000 1.046 1151 R CA 0.481 56.681 56.100 0.167 0.000 0.906 1151 R CB 1.662 32.023 30.300 0.102 0.000 1.215 1151 R HN 1.612 nan 8.270 nan 0.000 0.449 1152 A N 2.703 125.599 122.820 0.128 0.000 2.539 1152 A HA 0.781 5.100 4.320 -0.002 0.000 0.296 1152 A C -1.515 176.142 177.584 0.121 0.000 1.073 1152 A CA -0.683 51.349 52.037 -0.009 0.000 0.700 1152 A CB 1.732 20.700 19.000 -0.054 0.000 1.296 1152 A HN 0.720 nan 8.150 nan 0.000 0.405 1153 E N 0.257 120.497 120.200 0.066 0.000 2.331 1153 E HA 0.535 4.884 4.350 -0.002 0.000 0.275 1153 E C -1.997 174.722 176.600 0.198 0.000 0.895 1153 E CA -0.368 56.125 56.400 0.155 0.000 0.753 1153 E CB 2.719 32.485 29.700 0.109 0.000 1.216 1153 E HN 0.550 nan 8.360 nan 0.000 0.434 1154 F N 1.549 121.522 119.950 0.040 0.000 2.831 1154 F HA 0.550 5.076 4.527 -0.002 0.000 0.346 1154 F C -0.918 174.863 175.800 -0.032 0.000 1.224 1154 F CA -0.454 57.528 58.000 -0.031 0.000 1.048 1154 F CB 1.349 40.296 39.000 -0.087 0.000 1.339 1154 F HN 0.617 nan 8.300 nan 0.000 0.514 1155 G N 5.432 114.411 108.800 0.298 0.000 2.719 1155 G HA2 0.616 4.575 3.960 -0.002 0.000 0.298 1155 G HA3 0.616 4.575 3.960 -0.002 0.000 0.298 1155 G C -2.150 172.802 174.900 0.087 0.000 1.433 1155 G CA -0.678 44.471 45.100 0.082 0.000 1.034 1155 G HN 0.531 nan 8.290 nan 0.000 0.517 1156 K N 1.076 121.467 120.400 -0.016 0.000 2.551 1156 K HA 0.244 4.563 4.320 -0.002 0.000 0.269 1156 K C -1.043 175.539 176.600 -0.029 0.000 0.949 1156 K CA -1.097 55.198 56.287 0.014 0.000 0.849 1156 K CB 2.361 34.870 32.500 0.016 0.000 1.411 1156 K HN 0.441 nan 8.250 nan 0.000 0.432 1157 N N 3.100 121.801 118.700 0.000 0.000 2.400 1157 N HA 0.065 4.804 4.740 -0.002 0.000 0.267 1157 N C -0.242 175.248 175.510 -0.033 0.000 1.208 1157 N CA 0.239 53.274 53.050 -0.025 0.000 0.951 1157 N CB 0.342 38.831 38.487 0.005 0.000 1.227 1157 N HN 0.512 nan 8.380 nan 0.000 0.488 1158 L N 2.758 123.928 121.223 -0.087 0.000 2.872 1158 L HA 0.082 4.421 4.340 -0.002 0.000 0.245 1158 L C 1.922 178.728 176.870 -0.106 0.000 1.211 1158 L CA -0.031 54.766 54.840 -0.072 0.000 1.013 1158 L CB -0.058 41.945 42.059 -0.092 0.000 1.326 1158 L HN 0.489 nan 8.230 nan 0.000 0.525 1159 T N -4.523 109.920 114.554 -0.186 0.000 3.007 1159 T HA -0.151 4.198 4.350 -0.002 0.000 0.270 1159 T C 1.378 175.921 174.700 -0.262 0.000 1.107 1159 T CA 0.947 62.897 62.100 -0.251 0.000 1.118 1159 T CB -0.272 68.419 68.868 -0.295 0.000 0.889 1159 T HN 0.322 nan 8.240 nan 0.000 0.506 1160 H N 0.216 119.302 119.070 0.027 0.000 2.520 1160 H HA 0.436 4.992 4.556 -0.002 0.000 0.284 1160 H C -0.161 175.185 175.328 0.030 0.000 1.037 1160 H CA -0.338 55.730 56.048 0.033 0.000 1.168 1160 H CB 0.262 30.044 29.762 0.033 0.000 1.497 1160 H HN 0.285 nan 8.280 nan 0.000 0.547 1161 V N 3.182 123.151 119.914 0.091 0.000 2.277 1161 V HA 0.118 4.237 4.120 -0.002 0.000 0.269 1161 V C -1.550 174.571 176.094 0.044 0.000 1.036 1161 V CA -1.229 61.114 62.300 0.071 0.000 0.821 1161 V CB 1.858 33.718 31.823 0.062 0.000 1.052 1161 V HN 0.054 nan 8.190 nan 0.000 0.462 1162 P HA -0.185 nan 4.420 nan 0.000 0.215 1162 P C 1.861 179.174 177.300 0.020 0.000 1.153 1162 P CA 0.921 64.047 63.100 0.044 0.000 0.853 1162 P CB 0.077 31.805 31.700 0.047 0.000 0.788 1163 R N 0.869 121.372 120.500 0.004 0.000 2.103 1163 R HA -0.159 4.180 4.340 -0.002 0.000 0.242 1163 R C 1.901 178.164 176.300 -0.063 0.000 1.142 1163 R CA 2.376 58.452 56.100 -0.041 0.000 0.960 1163 R CB -1.445 28.827 30.300 -0.046 0.000 0.858 1163 R HN 0.098 nan 8.270 nan 0.000 0.439 1164 A N 0.834 123.631 122.820 -0.038 0.000 2.019 1164 A HA -0.089 4.230 4.320 -0.002 0.000 0.219 1164 A C 2.080 179.640 177.584 -0.040 0.000 1.164 1164 A CA 1.788 53.795 52.037 -0.051 0.000 0.644 1164 A CB -0.269 18.703 19.000 -0.047 0.000 0.805 1164 A HN 0.385 nan 8.150 nan 0.000 0.449 1165 V N -3.236 116.670 119.914 -0.013 0.000 3.427 1165 V HA 0.231 4.350 4.120 -0.002 0.000 0.305 1165 V C -0.029 176.125 176.094 0.101 0.000 1.412 1165 V CA -0.089 62.227 62.300 0.027 0.000 1.086 1165 V CB -0.122 31.707 31.823 0.010 0.000 0.964 1165 V HN 0.291 nan 8.190 nan 0.000 0.439 1166 D N 0.442 120.882 120.400 0.066 0.000 2.325 1166 D HA 0.054 4.693 4.640 -0.002 0.000 0.251 1166 D C 0.605 176.983 176.300 0.129 0.000 1.196 1166 D CA -0.425 53.631 54.000 0.093 0.000 0.866 1166 D CB 1.086 41.899 40.800 0.022 0.000 1.101 1166 D HN 0.488 nan 8.370 nan 0.000 0.476 1167 W N 4.805 126.127 121.300 0.035 0.000 2.358 1167 W HA -0.172 4.486 4.660 -0.004 0.000 0.303 1167 W C 1.789 178.306 176.519 -0.005 0.000 1.208 1167 W CA 1.922 59.306 57.345 0.065 0.000 1.274 1167 W CB -0.127 29.387 29.460 0.091 0.000 1.138 1167 W HN 0.540 nan 8.180 nan 0.000 0.515 1168 A N -0.394 122.459 122.820 0.054 0.000 2.019 1168 A HA -0.182 4.137 4.320 -0.002 0.000 0.219 1168 A C 1.708 179.100 177.584 -0.320 0.000 1.164 1168 A CA 1.410 53.320 52.037 -0.210 0.000 0.644 1168 A CB -0.508 18.518 19.000 0.044 0.000 0.805 1168 A HN 0.364 nan 8.150 nan 0.000 0.449 1169 Q N -1.301 118.355 119.800 -0.240 0.000 2.222 1169 Q HA 0.430 4.768 4.340 -0.002 0.000 0.206 1169 Q C 0.569 176.353 176.000 -0.359 0.000 0.877 1169 Q CA 0.473 56.108 55.803 -0.279 0.000 0.958 1169 Q CB -0.410 28.200 28.738 -0.213 0.000 1.075 1169 Q HN 0.865 nan 8.270 nan 0.000 0.483 1170 A N 0.175 122.693 122.820 -0.503 0.000 2.560 1170 A HA -0.141 4.178 4.320 -0.002 0.000 0.299 1170 A C 0.907 178.423 177.584 -0.113 0.000 1.484 1170 A CA 0.768 52.434 52.037 -0.618 0.000 0.749 1170 A CB -1.839 16.626 19.000 -0.892 0.000 1.072 1170 A HN 0.446 nan 8.150 nan 0.000 0.426 1171 G N -1.038 107.729 108.800 -0.055 0.000 2.504 1171 G HA2 0.840 4.799 3.960 -0.002 0.000 0.257 1171 G HA3 0.840 4.799 3.960 -0.002 0.000 0.257 1171 G C 1.053 176.021 174.900 0.113 0.000 1.451 1171 G CA 0.536 45.651 45.100 0.024 0.000 1.059 1171 G HN 2.638 nan 8.290 nan 0.000 0.550 1172 G N -3.275 105.565 108.800 0.067 0.000 2.555 1172 G HA2 0.396 4.355 3.960 -0.002 0.000 0.686 1172 G HA3 0.396 4.355 3.960 -0.002 0.000 0.686 1172 G C 0.821 175.732 174.900 0.018 0.000 1.275 1172 G CA 0.416 45.555 45.100 0.064 0.000 0.871 1172 G HN 1.641 nan 8.290 nan 0.000 0.603 1173 A N -0.418 122.403 122.820 0.002 0.000 1.877 1173 A HA 0.141 4.459 4.320 -0.002 0.000 0.216 1173 A C 2.655 180.246 177.584 0.011 0.000 1.186 1173 A CA 2.351 54.373 52.037 -0.025 0.000 0.620 1173 A CB -0.434 18.566 19.000 -0.001 0.000 0.822 1173 A HN 1.124 nan 8.150 nan 0.000 0.443 1174 L N -1.390 119.873 121.223 0.067 0.000 2.027 1174 L HA -0.138 4.201 4.340 -0.002 0.000 0.206 1174 L C 2.327 179.217 176.870 0.033 0.000 1.074 1174 L CA 0.860 55.754 54.840 0.090 0.000 0.745 1174 L CB -0.395 41.735 42.059 0.117 0.000 0.898 1174 L HN 0.287 nan 8.230 nan 0.000 0.433 1175 L N -0.870 120.378 121.223 0.042 0.000 2.341 1175 L HA -0.098 4.241 4.340 -0.002 0.000 0.214 1175 L C 1.890 178.734 176.870 -0.043 0.000 1.115 1175 L CA 1.254 56.074 54.840 -0.032 0.000 0.820 1175 L CB -0.540 41.512 42.059 -0.012 0.000 0.944 1175 L HN 0.169 nan 8.230 nan 0.000 0.452 1176 D N -1.084 119.327 120.400 0.018 0.000 2.162 1176 D HA 0.044 4.683 4.640 -0.002 0.000 0.205 1176 D C 2.117 178.363 176.300 -0.090 0.000 0.964 1176 D CA 1.196 55.193 54.000 -0.006 0.000 0.847 1176 D CB 0.347 41.107 40.800 -0.067 0.000 0.988 1176 D HN 0.235 nan 8.370 nan 0.000 0.480 1177 L N -0.932 120.201 121.223 -0.150 0.000 2.663 1177 L HA 0.312 4.651 4.340 -0.002 0.000 0.218 1177 L C 2.287 179.183 176.870 0.043 0.000 1.043 1177 L CA 0.499 55.197 54.840 -0.237 0.000 0.876 1177 L CB -0.351 41.281 42.059 -0.713 0.000 1.263 1177 L HN -0.061 nan 8.230 nan 0.000 0.486 1178 G N 2.016 110.817 108.800 0.001 0.000 2.448 1178 G HA2 -0.204 3.754 3.960 -0.002 0.000 0.219 1178 G HA3 -0.204 3.754 3.960 -0.002 0.000 0.219 1178 G C 1.538 176.322 174.900 -0.193 0.000 1.127 1178 G CA 1.011 46.082 45.100 -0.049 0.000 0.766 1178 G HN 0.481 nan 8.290 nan 0.000 0.552 1179 I N -2.672 117.828 120.570 -0.118 0.000 2.248 1179 I HA -0.216 3.953 4.170 -0.002 0.000 0.248 1179 I C 2.382 178.402 176.117 -0.162 0.000 1.107 1179 I CA 1.301 62.494 61.300 -0.178 0.000 1.373 1179 I CB -0.560 37.290 38.000 -0.250 0.000 1.055 1179 I HN 0.068 nan 8.210 nan 0.000 0.418 1180 Y N 1.269 121.579 120.300 0.017 0.000 2.242 1180 Y HA -0.136 4.414 4.550 -0.001 0.000 0.291 1180 Y C 2.910 178.800 175.900 -0.017 0.000 1.137 1180 Y CA 1.480 59.626 58.100 0.077 0.000 1.181 1180 Y CB -0.897 37.706 38.460 0.239 0.000 0.989 1180 Y HN 0.336 nan 8.280 nan 0.000 0.527 1181 C N -1.247 118.054 119.300 0.002 0.000 2.453 1181 C HA -0.118 4.340 4.460 -0.002 0.000 0.277 1181 C C 2.752 177.570 174.990 -0.287 0.000 1.262 1181 C CA 0.778 59.668 59.018 -0.213 0.000 1.718 1181 C CB -1.174 26.224 27.740 -0.570 0.000 2.031 1181 C HN 0.341 nan 8.230 nan 0.000 0.480 1182 V N 2.187 121.814 119.914 -0.479 0.000 2.343 1182 V HA -0.261 3.858 4.120 -0.002 0.000 0.247 1182 V C 2.724 178.801 176.094 -0.027 0.000 1.051 1182 V CA 2.470 64.640 62.300 -0.217 0.000 1.036 1182 V CB -1.042 30.693 31.823 -0.146 0.000 0.654 1182 V HN 0.694 nan 8.190 nan 0.000 0.451 1183 Q N 0.435 120.220 119.800 -0.025 0.000 2.124 1183 Q HA -0.225 4.114 4.340 -0.002 0.000 0.202 1183 Q C 1.932 177.935 176.000 0.006 0.000 0.977 1183 Q CA 2.327 58.131 55.803 0.002 0.000 0.850 1183 Q CB -1.059 27.680 28.738 0.002 0.000 0.901 1183 Q HN 0.548 nan 8.270 nan 0.000 0.429 1184 F N 0.897 120.793 119.950 -0.090 0.000 2.075 1184 F HA -0.048 4.477 4.527 -0.002 0.000 0.297 1184 F C 1.807 177.497 175.800 -0.184 0.000 1.113 1184 F CA 1.418 59.340 58.000 -0.130 0.000 1.218 1184 F CB -0.207 38.724 39.000 -0.114 0.000 0.984 1184 F HN 0.092 nan 8.300 nan 0.000 0.472 1185 I N -0.546 119.957 120.570 -0.112 0.000 2.226 1185 I HA -0.326 3.842 4.170 -0.002 0.000 0.245 1185 I C 2.757 178.642 176.117 -0.387 0.000 1.100 1185 I CA 1.582 62.708 61.300 -0.290 0.000 1.374 1185 I CB -0.778 37.281 38.000 0.098 0.000 1.057 1185 I HN 0.243 nan 8.210 nan 0.000 0.413 1186 S N 0.493 116.128 115.700 -0.108 0.000 2.368 1186 S HA -0.251 4.218 4.470 -0.002 0.000 0.225 1186 S C 2.133 176.643 174.600 -0.149 0.000 1.030 1186 S CA 1.591 59.791 58.200 0.001 0.000 0.999 1186 S CB -0.246 63.003 63.200 0.082 0.000 0.844 1186 S HN 0.373 nan 8.310 nan 0.000 0.459 1187 M N 1.449 120.890 119.600 -0.265 0.000 2.067 1187 M HA -0.105 4.374 4.480 -0.002 0.000 0.260 1187 M C 2.055 178.109 176.300 -0.409 0.000 1.069 1187 M CA 2.281 57.401 55.300 -0.301 0.000 1.117 1187 M CB -0.415 31.988 32.600 -0.328 0.000 1.334 1187 M HN 0.381 nan 8.290 nan 0.000 0.407 1188 V N -1.940 117.548 119.914 -0.710 0.000 2.594 1188 V HA -0.181 3.938 4.120 -0.002 0.000 0.253 1188 V C 1.178 176.900 176.094 -0.620 0.000 1.069 1188 V CA 1.401 63.227 62.300 -0.790 0.000 1.082 1188 V CB -1.286 29.849 31.823 -1.146 0.000 0.680 1188 V HN 0.427 nan 8.190 nan 0.000 0.469 1189 F N 2.068 121.800 119.950 -0.364 0.000 2.750 1189 F HA 0.704 5.230 4.527 -0.002 0.000 0.297 1189 F C 1.755 177.483 175.800 -0.120 0.000 1.138 1189 F CA -0.937 56.886 58.000 -0.294 0.000 1.346 1189 F CB -0.185 38.458 39.000 -0.594 0.000 0.965 1189 F HN 0.348 nan 8.300 nan 0.000 0.514 1190 G N 0.125 108.934 108.800 0.015 0.000 2.198 1190 G HA2 -0.091 3.868 3.960 -0.002 0.000 0.260 1190 G HA3 -0.091 3.868 3.960 -0.002 0.000 0.260 1190 G C 1.300 176.234 174.900 0.057 0.000 1.025 1190 G CA 0.320 45.436 45.100 0.027 0.000 0.769 1190 G HN 1.222 nan 8.290 nan 0.000 0.507 1191 G N -1.610 107.231 108.800 0.067 0.000 2.168 1191 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.257 1191 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.257 1191 G C 0.411 175.397 174.900 0.142 0.000 0.997 1191 G CA 1.197 46.352 45.100 0.092 0.000 0.708 1191 G HN 1.169 nan 8.290 nan 0.000 0.520 1192 Q N -0.310 119.625 119.800 0.224 0.000 2.373 1192 Q HA 0.335 4.674 4.340 -0.002 0.000 0.255 1192 Q C 0.630 176.719 176.000 0.147 0.000 0.980 1192 Q CA -0.066 55.855 55.803 0.196 0.000 0.882 1192 Q CB 0.865 29.741 28.738 0.230 0.000 1.249 1192 Q HN 0.382 nan 8.270 nan 0.000 0.438 1193 K N 3.109 123.518 120.400 0.016 0.000 2.379 1193 K HA 0.171 4.490 4.320 -0.002 0.000 0.284 1193 K C -2.364 174.083 176.600 -0.256 0.000 1.044 1193 K CA -1.568 54.671 56.287 -0.080 0.000 0.974 1193 K CB 0.377 32.847 32.500 -0.051 0.000 0.962 1193 K HN 0.228 nan 8.250 nan 0.000 0.474 1194 P HA 0.007 nan 4.420 nan 0.000 0.269 1194 P C -0.465 176.664 177.300 -0.285 0.000 1.209 1194 P CA 0.040 62.776 63.100 -0.607 0.000 0.776 1194 P CB 0.707 32.102 31.700 -0.510 0.000 0.876 1195 E N 0.922 120.981 120.200 -0.235 0.000 2.318 1195 E HA -0.001 4.348 4.350 -0.002 0.000 0.193 1195 E C 0.503 177.045 176.600 -0.097 0.000 0.998 1195 E CA 0.699 57.022 56.400 -0.129 0.000 0.859 1195 E CB 0.245 29.887 29.700 -0.096 0.000 0.812 1195 E HN 0.329 nan 8.360 nan 0.000 0.492 1196 K N 0.513 120.851 120.400 -0.103 0.000 2.578 1196 K HA 0.393 4.712 4.320 -0.002 0.000 0.269 1196 K C -1.980 174.587 176.600 -0.055 0.000 0.941 1196 K CA -0.437 55.810 56.287 -0.066 0.000 0.847 1196 K CB 1.452 33.921 32.500 -0.052 0.000 1.397 1196 K HN -0.120 nan 8.250 nan 0.000 0.422 1197 I N 2.095 122.642 120.570 -0.037 0.000 2.499 1197 I HA 0.289 4.458 4.170 -0.002 0.000 0.288 1197 I C -0.867 175.234 176.117 -0.027 0.000 1.048 1197 I CA -0.722 60.566 61.300 -0.019 0.000 1.062 1197 I CB 2.359 40.355 38.000 -0.007 0.000 1.238 1197 I HN 0.460 nan 8.210 nan 0.000 0.426 1198 S N 4.663 120.344 115.700 -0.033 0.000 2.500 1198 S HA 0.765 5.234 4.470 -0.002 0.000 0.301 1198 S C -0.614 173.951 174.600 -0.060 0.000 1.092 1198 S CA -0.666 57.509 58.200 -0.043 0.000 1.030 1198 S CB 2.409 65.582 63.200 -0.044 0.000 1.031 1198 S HN 0.291 nan 8.310 nan 0.000 0.483 1199 V N 3.705 123.585 119.914 -0.057 0.000 2.709 1199 V HA 0.588 4.707 4.120 -0.002 0.000 0.308 1199 V C -0.665 175.395 176.094 -0.057 0.000 1.062 1199 V CA -0.547 61.711 62.300 -0.071 0.000 0.901 1199 V CB 1.816 33.606 31.823 -0.054 0.000 1.003 1199 V HN 0.870 nan 8.190 nan 0.000 0.425 1200 M N 2.671 122.233 119.600 -0.063 0.000 2.501 1200 M HA 0.884 5.363 4.480 -0.002 0.000 0.293 1200 M C 0.057 176.336 176.300 -0.036 0.000 1.192 1200 M CA -0.331 54.944 55.300 -0.041 0.000 0.886 1200 M CB 2.717 35.295 32.600 -0.035 0.000 1.710 1200 M HN 0.917 nan 8.290 nan 0.000 0.457 1201 G N 1.360 110.148 108.800 -0.019 0.000 2.349 1201 G HA2 0.660 4.618 3.960 -0.002 0.000 0.294 1201 G HA3 0.660 4.618 3.960 -0.002 0.000 0.294 1201 G C -2.269 172.634 174.900 0.004 0.000 1.380 1201 G CA -1.028 44.068 45.100 -0.006 0.000 0.811 1201 G HN 0.880 nan 8.290 nan 0.000 0.519 1202 R N -0.976 119.535 120.500 0.018 0.000 2.799 1202 R HA 0.805 5.144 4.340 -0.002 0.000 0.270 1202 R C -0.500 175.828 176.300 0.045 0.000 1.010 1202 R CA -1.126 54.989 56.100 0.025 0.000 0.916 1202 R CB 1.740 32.056 30.300 0.025 0.000 1.228 1202 R HN 0.529 nan 8.270 nan 0.000 0.469 1203 R N 0.231 120.759 120.500 0.046 0.000 2.543 1203 R HA 0.245 4.583 4.340 -0.002 0.000 0.268 1203 R C -0.492 175.874 176.300 0.110 0.000 1.067 1203 R CA -0.771 55.372 56.100 0.072 0.000 1.142 1203 R CB 0.570 30.895 30.300 0.042 0.000 1.110 1203 R HN 0.557 nan 8.270 nan 0.000 0.549 1204 H N 0.541 119.625 119.070 0.023 0.000 2.525 1204 H HA 0.044 4.599 4.556 -0.002 0.000 0.340 1204 H C 0.716 176.051 175.328 0.012 0.000 1.168 1204 H CA -0.461 55.597 56.048 0.016 0.000 1.247 1204 H CB 1.319 31.096 29.762 0.024 0.000 1.568 1204 H HN 0.673 nan 8.280 nan 0.000 0.536 1205 E N 0.841 120.703 120.200 -0.563 0.000 2.409 1205 E HA -0.140 4.209 4.350 -0.002 0.000 0.198 1205 E C 0.583 177.087 176.600 -0.160 0.000 1.024 1205 E CA 1.366 57.577 56.400 -0.315 0.000 0.861 1205 E CB -0.166 29.336 29.700 -0.330 0.000 0.788 1205 E HN 0.672 nan 8.360 nan 0.000 0.521 1206 T N -3.573 110.949 114.554 -0.053 0.000 3.107 1206 T HA 0.408 4.757 4.350 -0.002 0.000 0.249 1206 T C 1.436 176.201 174.700 0.108 0.000 1.096 1206 T CA 0.298 62.445 62.100 0.078 0.000 1.012 1206 T CB 0.600 69.592 68.868 0.206 0.000 0.977 1206 T HN 0.368 nan 8.240 nan 0.000 0.527 1207 G N 0.841 109.692 108.800 0.085 0.000 2.195 1207 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.224 1207 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.224 1207 G C 0.136 175.204 174.900 0.279 0.000 0.990 1207 G CA 0.015 45.163 45.100 0.080 0.000 0.639 1207 G HN 1.319 nan 8.290 nan 0.000 0.514 1208 V N -0.728 119.361 119.914 0.291 0.000 3.234 1208 V HA 0.773 4.892 4.120 -0.002 0.000 0.317 1208 V C 0.383 176.598 176.094 0.201 0.000 1.081 1208 V CA -0.546 61.927 62.300 0.288 0.000 1.037 1208 V CB 1.498 33.468 31.823 0.245 0.000 1.148 1208 V HN 0.415 nan 8.190 nan 0.000 0.453 1209 D N 0.632 121.123 120.400 0.152 0.000 2.382 1209 D HA 0.059 4.698 4.640 -0.002 0.000 0.245 1209 D C 0.093 176.442 176.300 0.082 0.000 1.120 1209 D CA -0.067 53.994 54.000 0.103 0.000 0.890 1209 D CB 1.873 42.717 40.800 0.074 0.000 1.201 1209 D HN 0.757 nan 8.370 nan 0.000 0.433 1210 D N 1.234 121.683 120.400 0.081 0.000 2.468 1210 D HA -0.036 4.603 4.640 -0.002 0.000 0.243 1210 D C -0.353 175.956 176.300 0.015 0.000 0.994 1210 D CA 0.791 54.820 54.000 0.049 0.000 0.932 1210 D CB 0.730 41.617 40.800 0.147 0.000 1.078 1210 D HN 0.455 nan 8.370 nan 0.000 0.473 1211 T N 0.531 115.105 114.554 0.033 0.000 3.032 1211 T HA 0.515 4.864 4.350 -0.002 0.000 0.312 1211 T C -0.998 173.718 174.700 0.027 0.000 1.078 1211 T CA -0.602 61.515 62.100 0.028 0.000 1.028 1211 T CB 2.566 71.450 68.868 0.027 0.000 1.091 1211 T HN -0.149 nan 8.240 nan 0.000 0.457 1212 V N 2.653 122.585 119.914 0.031 0.000 2.733 1212 V HA 0.640 4.759 4.120 -0.002 0.000 0.306 1212 V C -0.312 175.749 176.094 -0.055 0.000 1.084 1212 V CA -0.777 61.523 62.300 -0.000 0.000 0.905 1212 V CB 2.377 34.217 31.823 0.029 0.000 1.010 1212 V HN 0.964 nan 8.190 nan 0.000 0.424 1213 T N 3.674 118.159 114.554 -0.115 0.000 2.829 1213 T HA 0.754 5.103 4.350 -0.002 0.000 0.280 1213 T C -0.641 173.870 174.700 -0.315 0.000 0.999 1213 T CA -0.481 61.494 62.100 -0.208 0.000 0.983 1213 T CB 1.882 70.689 68.868 -0.101 0.000 0.968 1213 T HN 0.419 nan 8.240 nan 0.000 0.446 1214 V N 3.573 123.154 119.914 -0.555 0.000 2.709 1214 V HA 0.553 4.672 4.120 -0.002 0.000 0.308 1214 V C -1.034 174.906 176.094 -0.257 0.000 1.062 1214 V CA -0.885 61.128 62.300 -0.478 0.000 0.901 1214 V CB 2.014 33.363 31.823 -0.790 0.000 1.003 1214 V HN 0.610 nan 8.190 nan 0.000 0.425 1215 L N 5.106 126.272 121.223 -0.095 0.000 2.322 1215 L HA 0.698 5.036 4.340 -0.002 0.000 0.281 1215 L C -0.893 176.018 176.870 0.068 0.000 1.014 1215 L CA -0.091 54.759 54.840 0.016 0.000 0.815 1215 L CB 1.561 43.609 42.059 -0.017 0.000 1.247 1215 L HN 0.510 nan 8.230 nan 0.000 0.421 1216 L N 3.522 124.859 121.223 0.191 0.000 2.372 1216 L HA 0.499 4.838 4.340 -0.002 0.000 0.274 1216 L C -0.402 176.614 176.870 0.243 0.000 0.988 1216 L CA -0.527 54.437 54.840 0.207 0.000 0.833 1216 L CB 1.723 44.015 42.059 0.388 0.000 1.236 1216 L HN 0.464 nan 8.230 nan 0.000 0.410 1217 Q N 2.331 122.171 119.800 0.068 0.000 2.295 1217 Q HA 0.338 4.677 4.340 -0.002 0.000 0.259 1217 Q C -1.603 174.367 176.000 -0.050 0.000 0.976 1217 Q CA 0.362 56.199 55.803 0.057 0.000 0.923 1217 Q CB 0.470 29.197 28.738 -0.018 0.000 1.185 1217 Q HN 0.428 nan 8.270 nan 0.000 0.410 1218 Y N 4.500 124.734 120.300 -0.110 0.000 2.453 1218 Y HA 0.482 5.032 4.550 -0.000 0.000 0.326 1218 Y C -1.789 174.000 175.900 -0.185 0.000 1.186 1218 Y CA -2.470 55.511 58.100 -0.198 0.000 1.200 1218 Y CB 1.392 39.559 38.460 -0.489 0.000 1.247 1218 Y HN 0.648 nan 8.280 nan 0.000 0.482 1219 P HA 0.099 nan 4.420 nan 0.000 0.269 1219 P C 0.103 177.376 177.300 -0.045 0.000 1.215 1219 P CA 0.975 64.060 63.100 -0.025 0.000 0.780 1219 P CB 0.473 32.169 31.700 -0.007 0.000 0.898 1220 G N 1.042 109.821 108.800 -0.035 0.000 2.182 1220 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.248 1220 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.248 1220 G C 0.108 174.981 174.900 -0.045 0.000 1.042 1220 G CA 0.151 45.229 45.100 -0.036 0.000 0.775 1220 G HN 0.627 nan 8.290 nan 0.000 0.501 1221 E N -2.815 117.365 120.200 -0.033 0.000 2.320 1221 E HA -0.221 4.128 4.350 -0.002 0.000 0.234 1221 E C 0.554 177.141 176.600 -0.022 0.000 1.183 1221 E CA 1.095 57.490 56.400 -0.008 0.000 0.713 1221 E CB -2.202 27.500 29.700 0.004 0.000 1.226 1221 E HN 1.819 nan 8.360 nan 0.000 0.382 1222 V N -2.012 117.843 119.914 -0.100 0.000 3.040 1222 V HA 0.848 4.967 4.120 -0.002 0.000 0.312 1222 V C 0.034 176.026 176.094 -0.171 0.000 1.115 1222 V CA -0.782 61.386 62.300 -0.220 0.000 0.998 1222 V CB 2.481 34.012 31.823 -0.487 0.000 1.042 1222 V HN 0.362 nan 8.190 nan 0.000 0.433 1223 H N 0.494 119.496 119.070 -0.114 0.000 3.008 1223 H HA 0.853 5.408 4.556 -0.002 0.000 0.354 1223 H C -0.634 174.866 175.328 0.287 0.000 1.252 1223 H CA -0.418 55.675 56.048 0.074 0.000 1.117 1223 H CB 1.920 31.736 29.762 0.090 0.000 1.857 1223 H HN 1.172 nan 8.280 nan 0.000 0.547 1224 G N -0.254 108.858 108.800 0.520 0.000 2.574 1224 G HA2 0.518 4.477 3.960 -0.002 0.000 0.299 1224 G HA3 0.518 4.477 3.960 -0.002 0.000 0.299 1224 G C -1.217 173.928 174.900 0.409 0.000 1.298 1224 G CA -0.420 44.955 45.100 0.458 0.000 0.952 1224 G HN 0.909 nan 8.290 nan 0.000 0.477 1225 S N -0.914 114.987 115.700 0.335 0.000 2.564 1225 S HA 0.872 5.341 4.470 -0.002 0.000 0.274 1225 S C -1.004 173.782 174.600 0.310 0.000 1.124 1225 S CA -0.868 57.477 58.200 0.242 0.000 0.869 1225 S CB 1.759 65.055 63.200 0.160 0.000 1.105 1225 S HN 1.688 nan 8.310 nan 0.000 0.472 1226 F N -1.227 118.806 119.950 0.138 0.000 2.645 1226 F HA 0.870 5.396 4.527 -0.002 0.000 0.310 1226 F C -1.087 174.770 175.800 0.094 0.000 1.102 1226 F CA -0.759 57.311 58.000 0.116 0.000 0.952 1226 F CB 1.502 40.584 39.000 0.136 0.000 1.326 1226 F HN 0.550 nan 8.300 nan 0.000 0.456 1227 T N 1.876 116.607 114.554 0.295 0.000 2.848 1227 T HA 0.598 4.947 4.350 -0.002 0.000 0.285 1227 T C -0.948 173.931 174.700 0.299 0.000 0.995 1227 T CA -0.596 61.617 62.100 0.188 0.000 0.970 1227 T CB 1.040 69.969 68.868 0.101 0.000 0.976 1227 T HN 1.017 nan 8.240 nan 0.000 0.441 1228 C N 0.927 120.384 119.300 0.261 0.000 2.707 1228 C HA 0.986 5.445 4.460 -0.002 0.000 0.313 1228 C C -0.236 174.800 174.990 0.077 0.000 1.209 1228 C CA -0.942 58.188 59.018 0.186 0.000 1.635 1228 C CB 1.118 28.985 27.740 0.212 0.000 2.206 1228 C HN 0.805 nan 8.230 nan 0.000 0.485 1229 S N 0.207 115.909 115.700 0.003 0.000 2.535 1229 S HA 0.609 5.078 4.470 -0.002 0.000 0.272 1229 S C -0.157 174.382 174.600 -0.101 0.000 1.149 1229 S CA -0.515 57.668 58.200 -0.028 0.000 0.888 1229 S CB 1.021 64.221 63.200 0.000 0.000 1.110 1229 S HN 1.331 nan 8.310 nan 0.000 0.463 1230 I N 2.547 123.043 120.570 -0.123 0.000 3.875 1230 I HA 0.332 4.501 4.170 -0.002 0.000 0.329 1230 I C 1.319 177.331 176.117 -0.175 0.000 1.295 1230 I CA 0.416 61.610 61.300 -0.176 0.000 1.129 1230 I CB -0.209 37.664 38.000 -0.213 0.000 1.008 1230 I HN 0.629 nan 8.210 nan 0.000 0.413 1231 T N -2.351 112.135 114.554 -0.113 0.000 3.019 1231 T HA 0.568 4.916 4.350 -0.002 0.000 0.247 1231 T C 0.942 175.631 174.700 -0.018 0.000 0.992 1231 T CA 0.381 62.441 62.100 -0.067 0.000 1.036 1231 T CB -0.285 68.570 68.868 -0.021 0.000 1.063 1231 T HN 0.285 nan 8.240 nan 0.000 0.476 1232 A N 2.049 124.866 122.820 -0.004 0.000 2.260 1232 A HA 0.695 5.014 4.320 -0.002 0.000 0.314 1232 A C -0.102 177.502 177.584 0.033 0.000 1.257 1232 A CA -0.581 51.468 52.037 0.021 0.000 0.871 1232 A CB 0.828 19.844 19.000 0.028 0.000 1.166 1232 A HN 0.354 nan 8.150 nan 0.000 0.522 1233 Q N 1.993 121.820 119.800 0.045 0.000 2.300 1233 Q HA 0.406 4.745 4.340 -0.002 0.000 0.280 1233 Q C -0.919 175.124 176.000 0.072 0.000 1.033 1233 Q CA 0.974 56.817 55.803 0.066 0.000 0.903 1233 Q CB 0.045 28.823 28.738 0.067 0.000 1.195 1233 Q HN 0.641 nan 8.270 nan 0.000 0.386 1234 L N 2.011 123.291 121.223 0.096 0.000 2.267 1234 L HA 0.440 4.779 4.340 -0.002 0.000 0.264 1234 L C 1.076 177.998 176.870 0.086 0.000 1.021 1234 L CA -0.842 54.052 54.840 0.090 0.000 0.861 1234 L CB 1.466 43.589 42.059 0.107 0.000 1.443 1234 L HN 0.645 nan 8.230 nan 0.000 0.475 1235 S N -0.305 115.433 115.700 0.064 0.000 2.423 1235 S HA -0.095 4.374 4.470 -0.002 0.000 0.231 1235 S C 0.340 174.959 174.600 0.033 0.000 1.014 1235 S CA 0.622 58.846 58.200 0.041 0.000 0.965 1235 S CB -0.364 62.848 63.200 0.020 0.000 0.785 1235 S HN 0.704 nan 8.310 nan 0.000 0.495 1236 N N 1.659 120.388 118.700 0.048 0.000 2.740 1236 N HA -0.121 4.618 4.740 -0.002 0.000 0.248 1236 N C -0.220 175.240 175.510 -0.084 0.000 1.062 1236 N CA 1.326 54.387 53.050 0.019 0.000 0.704 1236 N CB -2.021 36.533 38.487 0.112 0.000 0.968 1236 N HN 0.713 nan 8.380 nan 0.000 0.547 1237 T N -3.751 110.740 114.554 -0.104 0.000 2.940 1237 T HA 0.910 5.259 4.350 -0.002 0.000 0.288 1237 T C -0.199 174.340 174.700 -0.268 0.000 1.045 1237 T CA -0.355 61.637 62.100 -0.179 0.000 1.018 1237 T CB 2.953 71.745 68.868 -0.126 0.000 1.151 1237 T HN 0.406 nan 8.240 nan 0.000 0.529 1238 A N 1.035 123.610 122.820 -0.408 0.000 2.486 1238 A HA 0.868 5.187 4.320 -0.002 0.000 0.300 1238 A C -0.231 177.067 177.584 -0.476 0.000 1.048 1238 A CA -0.658 50.952 52.037 -0.712 0.000 0.696 1238 A CB 1.464 19.539 19.000 -1.543 0.000 1.278 1238 A HN 1.708 nan 8.150 nan 0.000 0.405 1239 S N 0.021 115.594 115.700 -0.211 0.000 2.579 1239 S HA 0.833 5.302 4.470 -0.002 0.000 0.272 1239 S C -1.295 173.416 174.600 0.185 0.000 1.141 1239 S CA -0.515 57.702 58.200 0.028 0.000 0.843 1239 S CB 1.434 64.623 63.200 -0.018 0.000 1.122 1239 S HN 2.146 nan 8.310 nan 0.000 0.468 1240 V N 0.848 120.820 119.914 0.096 0.000 2.808 1240 V HA 0.847 4.966 4.120 -0.002 0.000 0.308 1240 V C -1.363 174.725 176.094 -0.009 0.000 1.099 1240 V CA -0.106 62.194 62.300 0.000 0.000 0.920 1240 V CB 2.074 33.812 31.823 -0.142 0.000 1.014 1240 V HN 1.173 nan 8.190 nan 0.000 0.425 1241 S N 3.769 119.466 115.700 -0.006 0.000 2.536 1241 S HA 0.953 5.422 4.470 -0.002 0.000 0.287 1241 S C -0.035 174.568 174.600 0.006 0.000 1.101 1241 S CA -0.066 58.134 58.200 -0.000 0.000 0.950 1241 S CB 1.781 64.984 63.200 0.006 0.000 1.056 1241 S HN 1.364 nan 8.310 nan 0.000 0.481 1242 G N 0.266 109.068 108.800 0.004 0.000 3.022 1242 G HA2 0.521 4.480 3.960 -0.002 0.000 0.284 1242 G HA3 0.521 4.480 3.960 -0.002 0.000 0.284 1242 G C 0.778 175.682 174.900 0.007 0.000 1.375 1242 G CA -0.072 45.033 45.100 0.009 0.000 0.902 1242 G HN 0.668 nan 8.290 nan 0.000 0.538 1243 T N -2.180 112.379 114.554 0.008 0.000 2.977 1243 T HA -0.005 4.344 4.350 -0.002 0.000 0.271 1243 T C 1.507 176.211 174.700 0.006 0.000 1.105 1243 T CA 1.410 63.514 62.100 0.008 0.000 1.116 1243 T CB -0.058 68.815 68.868 0.008 0.000 0.878 1243 T HN 0.400 nan 8.240 nan 0.000 0.509 1244 K N 0.367 120.769 120.400 0.004 0.000 2.355 1244 K HA 0.503 4.822 4.320 -0.002 0.000 0.198 1244 K C 0.916 177.517 176.600 0.001 0.000 1.039 1244 K CA 0.077 56.366 56.287 0.002 0.000 1.075 1244 K CB 1.088 33.588 32.500 0.001 0.000 0.870 1244 K HN 0.505 nan 8.250 nan 0.000 0.540 1245 G N 1.030 109.830 108.800 -0.000 0.000 2.356 1245 G HA2 0.104 4.063 3.960 -0.002 0.000 0.288 1245 G HA3 0.104 4.063 3.960 -0.002 0.000 0.288 1245 G C -2.045 172.852 174.900 -0.006 0.000 1.302 1245 G CA -0.885 44.214 45.100 -0.003 0.000 0.887 1245 G HN 0.002 nan 8.290 nan 0.000 0.521 1246 M N 0.277 119.870 119.600 -0.011 0.000 2.535 1246 M HA 0.806 5.285 4.480 -0.002 0.000 0.314 1246 M C -0.568 175.717 176.300 -0.024 0.000 1.153 1246 M CA -0.790 54.501 55.300 -0.014 0.000 0.924 1246 M CB 2.005 34.598 32.600 -0.012 0.000 1.710 1246 M HN 1.613 nan 8.290 nan 0.000 0.451 1247 A N 3.601 126.408 122.820 -0.022 0.000 2.365 1247 A HA 0.781 5.100 4.320 -0.002 0.000 0.318 1247 A C -1.561 176.007 177.584 -0.027 0.000 1.091 1247 A CA -0.587 51.432 52.037 -0.030 0.000 0.763 1247 A CB 1.581 20.567 19.000 -0.023 0.000 1.248 1247 A HN 0.856 nan 8.150 nan 0.000 0.442 1248 Q N 0.998 120.762 119.800 -0.061 0.000 2.372 1248 Q HA 0.570 4.909 4.340 -0.002 0.000 0.273 1248 Q C -1.511 174.420 176.000 -0.114 0.000 1.078 1248 Q CA -0.518 55.232 55.803 -0.089 0.000 0.806 1248 Q CB 2.694 31.368 28.738 -0.108 0.000 1.332 1248 Q HN 0.677 nan 8.270 nan 0.000 0.435 1249 L N 3.067 124.191 121.223 -0.165 0.000 2.264 1249 L HA 0.424 4.763 4.340 -0.002 0.000 0.289 1249 L C -0.420 176.317 176.870 -0.222 0.000 1.044 1249 L CA -0.490 54.230 54.840 -0.199 0.000 0.807 1249 L CB 0.547 42.450 42.059 -0.260 0.000 1.192 1249 L HN 0.401 nan 8.230 nan 0.000 0.425 1250 L N 2.291 123.405 121.223 -0.181 0.000 2.466 1250 L HA 0.199 4.538 4.340 -0.002 0.000 0.257 1250 L C 0.626 177.368 176.870 -0.214 0.000 1.189 1250 L CA -0.567 54.177 54.840 -0.160 0.000 0.813 1250 L CB 0.407 42.408 42.059 -0.098 0.000 1.118 1250 L HN 0.582 nan 8.230 nan 0.000 0.471 1251 N N 2.594 121.191 118.700 -0.172 0.000 2.411 1251 N HA 0.046 4.785 4.740 -0.002 0.000 0.261 1251 N C -2.339 173.015 175.510 -0.260 0.000 1.248 1251 N CA -0.819 52.113 53.050 -0.196 0.000 0.885 1251 N CB 0.359 38.796 38.487 -0.083 0.000 1.062 1251 N HN 0.232 nan 8.380 nan 0.000 0.471 1252 P HA 0.164 nan 4.420 nan 0.000 0.291 1252 P C 0.862 177.636 177.300 -0.878 0.000 1.340 1252 P CA -0.594 61.988 63.100 -0.864 0.000 0.799 1252 P CB 0.363 31.135 31.700 -1.547 0.000 0.917 1253 C N 1.078 120.048 119.300 -0.552 0.000 2.419 1253 C HA -0.036 4.422 4.460 -0.002 0.000 0.283 1253 C C 2.168 176.811 174.990 -0.577 0.000 1.373 1253 C CA 0.039 58.760 59.018 -0.496 0.000 1.781 1253 C CB -2.224 25.279 27.740 -0.395 0.000 1.886 1253 C HN 0.738 nan 8.230 nan 0.000 0.520 1254 W N 1.654 122.459 121.300 -0.825 0.000 3.047 1254 W HA 0.321 4.980 4.660 -0.001 0.000 0.250 1254 W C 0.752 176.636 176.519 -1.057 0.000 1.314 1254 W CA 0.323 57.112 57.345 -0.927 0.000 1.540 1254 W CB -0.952 27.637 29.460 -1.452 0.000 1.127 1254 W HN 0.470 nan 8.180 nan 0.000 0.679 1255 C N -1.000 117.330 119.300 -1.616 0.000 3.421 1255 C HA 0.438 4.897 4.460 -0.002 0.000 0.194 1255 C C -2.392 171.712 174.990 -1.477 0.000 1.418 1255 C CA -2.358 55.431 59.018 -2.049 0.000 1.226 1255 C CB -0.962 25.866 27.740 -1.521 0.000 1.875 1255 C HN -0.023 nan 8.230 nan 0.000 0.561 1256 P HA 0.376 nan 4.420 nan 0.000 0.282 1256 P C 0.651 177.795 177.300 -0.260 0.000 1.249 1256 P CA 0.440 63.173 63.100 -0.611 0.000 0.806 1256 P CB 1.763 33.164 31.700 -0.498 0.000 0.984 1257 T N -2.133 112.357 114.554 -0.108 0.000 3.004 1257 T HA 0.243 4.592 4.350 -0.002 0.000 0.266 1257 T C 0.151 174.952 174.700 0.169 0.000 0.986 1257 T CA -0.103 62.054 62.100 0.096 0.000 0.902 1257 T CB 0.018 68.940 68.868 0.090 0.000 1.118 1257 T HN 0.380 nan 8.240 nan 0.000 0.522 1258 E N 1.130 121.369 120.200 0.065 0.000 2.224 1258 E HA 0.612 4.961 4.350 -0.002 0.000 0.265 1258 E C -1.876 174.755 176.600 0.051 0.000 0.878 1258 E CA -0.978 55.474 56.400 0.087 0.000 0.759 1258 E CB 2.664 32.379 29.700 0.026 0.000 1.164 1258 E HN 0.118 nan 8.360 nan 0.000 0.414 1259 L N 3.069 124.368 121.223 0.127 0.000 2.341 1259 L HA 0.464 4.803 4.340 -0.002 0.000 0.278 1259 L C -1.476 175.368 176.870 -0.044 0.000 1.005 1259 L CA -0.798 54.072 54.840 0.051 0.000 0.818 1259 L CB 1.841 43.997 42.059 0.162 0.000 1.259 1259 L HN 0.340 nan 8.230 nan 0.000 0.418 1260 V N 5.692 125.520 119.914 -0.143 0.000 2.384 1260 V HA 0.573 4.692 4.120 -0.002 0.000 0.287 1260 V C -0.567 175.448 176.094 -0.131 0.000 1.020 1260 V CA -0.645 61.504 62.300 -0.252 0.000 0.850 1260 V CB 1.691 33.237 31.823 -0.461 0.000 0.987 1260 V HN 0.527 nan 8.190 nan 0.000 0.436 1261 V N 5.131 124.994 119.914 -0.086 0.000 2.407 1261 V HA 0.444 4.563 4.120 -0.002 0.000 0.291 1261 V C 0.337 176.410 176.094 -0.034 0.000 1.018 1261 V CA -1.071 61.203 62.300 -0.044 0.000 0.842 1261 V CB 1.333 33.147 31.823 -0.016 0.000 0.996 1261 V HN 0.948 nan 8.190 nan 0.000 0.426 1262 K N 3.924 124.306 120.400 -0.030 0.000 3.156 1262 K HA -0.269 4.050 4.320 -0.002 0.000 0.266 1262 K C 1.186 177.781 176.600 -0.007 0.000 0.966 1262 K CA 0.682 56.960 56.287 -0.015 0.000 0.719 1262 K CB -1.434 31.062 32.500 -0.006 0.000 1.333 1262 K HN 1.564 nan 8.250 nan 0.000 0.468 1263 G N -0.237 108.551 108.800 -0.021 0.000 2.225 1263 G HA2 -0.342 3.616 3.960 -0.002 0.000 0.254 1263 G HA3 -0.342 3.616 3.960 -0.002 0.000 0.254 1263 G C -0.059 174.880 174.900 0.066 0.000 0.988 1263 G CA 0.544 45.654 45.100 0.017 0.000 0.625 1263 G HN 0.417 nan 8.290 nan 0.000 0.527 1264 E N 1.162 121.378 120.200 0.028 0.000 2.194 1264 E HA 0.559 4.908 4.350 -0.002 0.000 0.284 1264 E C -0.043 176.578 176.600 0.036 0.000 1.035 1264 E CA -0.481 55.960 56.400 0.068 0.000 0.836 1264 E CB 0.248 29.966 29.700 0.030 0.000 1.070 1264 E HN 0.504 nan 8.360 nan 0.000 0.401 1265 H N 2.478 121.533 119.070 -0.025 0.000 2.580 1265 H HA 0.379 4.934 4.556 -0.002 0.000 0.322 1265 H C -0.423 174.869 175.328 -0.060 0.000 1.082 1265 H CA -0.328 55.701 56.048 -0.032 0.000 1.383 1265 H CB 0.989 30.729 29.762 -0.036 0.000 1.450 1265 H HN 0.183 nan 8.280 nan 0.000 0.505 1266 K N 1.708 122.116 120.400 0.014 0.000 2.397 1266 K HA 0.283 4.602 4.320 -0.002 0.000 0.253 1266 K C -1.023 175.442 176.600 -0.225 0.000 0.932 1266 K CA -0.692 55.506 56.287 -0.149 0.000 0.795 1266 K CB 1.563 33.951 32.500 -0.186 0.000 1.159 1266 K HN 0.669 nan 8.250 nan 0.000 0.424 1267 E N 3.584 123.576 120.200 -0.347 0.000 2.191 1267 E HA 0.403 4.752 4.350 -0.002 0.000 0.274 1267 E C -1.325 174.984 176.600 -0.487 0.000 0.948 1267 E CA -0.772 55.485 56.400 -0.239 0.000 0.802 1267 E CB 0.732 30.369 29.700 -0.106 0.000 1.137 1267 E HN 0.490 nan 8.360 nan 0.000 0.397 1268 F N 4.154 124.107 119.950 0.005 0.000 2.646 1268 F HA 0.306 4.832 4.527 -0.001 0.000 0.364 1268 F C -0.194 175.633 175.800 0.044 0.000 1.137 1268 F CA -0.708 57.301 58.000 0.014 0.000 1.085 1268 F CB 0.839 39.836 39.000 -0.005 0.000 1.331 1268 F HN 0.262 nan 8.300 nan 0.000 0.472 1269 L N 3.811 125.129 121.223 0.157 0.000 2.483 1269 L HA 0.187 4.526 4.340 -0.002 0.000 0.276 1269 L C 0.400 177.379 176.870 0.181 0.000 1.213 1269 L CA -0.279 54.640 54.840 0.131 0.000 0.843 1269 L CB 0.518 42.621 42.059 0.073 0.000 1.107 1269 L HN 0.507 nan 8.230 nan 0.000 0.487 1270 L N 3.001 124.318 121.223 0.156 0.000 2.472 1270 L HA 0.223 4.562 4.340 -0.002 0.000 0.260 1270 L C -1.832 175.079 176.870 0.068 0.000 1.209 1270 L CA -1.708 53.218 54.840 0.144 0.000 0.817 1270 L CB 0.006 42.136 42.059 0.117 0.000 1.106 1270 L HN 0.414 nan 8.230 nan 0.000 0.479 1271 P HA 0.050 nan 4.420 nan 0.000 0.269 1271 P C -2.019 175.263 177.300 -0.031 0.000 1.209 1271 P CA -0.968 62.099 63.100 -0.054 0.000 0.776 1271 P CB -0.046 31.556 31.700 -0.164 0.000 0.876 1272 P HA -0.071 nan 4.420 nan 0.000 0.221 1272 P C 0.170 177.457 177.300 -0.022 0.000 1.150 1272 P CA 1.133 64.225 63.100 -0.014 0.000 0.800 1272 P CB 0.152 31.845 31.700 -0.012 0.000 0.787 1273 V N -4.834 115.054 119.914 -0.042 0.000 3.040 1273 V HA 0.685 4.804 4.120 -0.002 0.000 0.312 1273 V C -2.980 173.071 176.094 -0.072 0.000 1.115 1273 V CA -3.010 59.261 62.300 -0.048 0.000 0.998 1273 V CB 1.497 33.288 31.823 -0.052 0.000 1.042 1273 V HN -0.248 nan 8.190 nan 0.000 0.433 1274 P HA 0.457 nan 4.420 nan 0.000 0.276 1274 P C -1.172 176.122 177.300 -0.011 0.000 1.252 1274 P CA -0.285 62.792 63.100 -0.039 0.000 0.802 1274 P CB 0.668 32.343 31.700 -0.042 0.000 1.035 1275 K N 1.036 121.432 120.400 -0.006 0.000 2.185 1275 K HA 0.306 4.625 4.320 -0.002 0.000 0.240 1275 K C 0.243 176.850 176.600 0.012 0.000 0.983 1275 K CA -0.654 55.638 56.287 0.008 0.000 0.873 1275 K CB 0.027 32.528 32.500 0.002 0.000 1.118 1275 K HN 0.450 nan 8.250 nan 0.000 0.441 1276 N N -0.527 118.186 118.700 0.022 0.000 2.738 1276 N HA -0.187 4.552 4.740 -0.002 0.000 0.249 1276 N C -0.562 174.958 175.510 0.018 0.000 1.047 1276 N CA 0.417 53.477 53.050 0.017 0.000 0.707 1276 N CB -2.020 36.469 38.487 0.002 0.000 0.937 1276 N HN 0.473 nan 8.380 nan 0.000 0.545 1277 C N 0.643 119.969 119.300 0.042 0.000 2.649 1277 C HA 0.150 4.609 4.460 -0.002 0.000 0.377 1277 C C 2.264 177.250 174.990 -0.007 0.000 1.321 1277 C CA -0.735 58.312 59.018 0.048 0.000 2.368 1277 C CB 0.438 28.245 27.740 0.112 0.000 2.597 1277 C HN 0.462 nan 8.230 nan 0.000 0.678 1278 N N 0.257 118.903 118.700 -0.090 0.000 2.149 1278 N HA -0.078 4.661 4.740 -0.002 0.000 0.188 1278 N C -0.159 175.045 175.510 -0.510 0.000 1.019 1278 N CA 1.401 54.232 53.050 -0.365 0.000 0.857 1278 N CB -0.152 37.993 38.487 -0.570 0.000 0.997 1278 N HN 0.570 nan 8.380 nan 0.000 0.426 1279 F N 0.711 120.748 119.950 0.146 0.000 2.522 1279 F HA 0.220 4.746 4.527 -0.001 0.000 0.324 1279 F C 0.547 176.514 175.800 0.277 0.000 1.077 1279 F CA -1.671 56.461 58.000 0.219 0.000 0.944 1279 F CB 0.740 39.870 39.000 0.217 0.000 1.175 1279 F HN -0.260 nan 8.300 nan 0.000 0.468 1280 D N 2.215 122.933 120.400 0.530 0.000 2.586 1280 D HA -0.091 4.548 4.640 -0.002 0.000 0.234 1280 D C 0.394 176.953 176.300 0.431 0.000 1.132 1280 D CA 1.083 55.325 54.000 0.404 0.000 0.860 1280 D CB 0.065 41.127 40.800 0.436 0.000 1.159 1280 D HN 0.578 nan 8.370 nan 0.000 0.490 1281 N N 2.235 121.114 118.700 0.298 0.000 2.741 1281 N HA -0.162 4.577 4.740 -0.002 0.000 0.250 1281 N C 1.247 177.095 175.510 0.562 0.000 1.115 1281 N CA 1.009 54.254 53.050 0.325 0.000 0.724 1281 N CB -1.431 37.166 38.487 0.184 0.000 1.090 1281 N HN 0.579 nan 8.380 nan 0.000 0.558 1282 G N 0.014 109.106 108.800 0.486 0.000 2.485 1282 G HA2 -0.135 3.824 3.960 -0.002 0.000 0.221 1282 G HA3 -0.135 3.824 3.960 -0.002 0.000 0.221 1282 G C 1.591 176.671 174.900 0.301 0.000 1.115 1282 G CA 1.448 46.794 45.100 0.411 0.000 0.751 1282 G HN 0.651 nan 8.290 nan 0.000 0.567 1283 A N 0.823 123.759 122.820 0.194 0.000 2.024 1283 A HA 0.107 4.426 4.320 -0.002 0.000 0.220 1283 A C 2.615 180.166 177.584 -0.054 0.000 1.164 1283 A CA 1.920 53.977 52.037 0.033 0.000 0.643 1283 A CB -0.862 18.137 19.000 -0.002 0.000 0.806 1283 A HN 0.590 nan 8.150 nan 0.000 0.451 1284 G N -0.927 107.936 108.800 0.104 0.000 2.586 1284 G HA2 -0.105 3.854 3.960 -0.002 0.000 0.215 1284 G HA3 -0.105 3.854 3.960 -0.002 0.000 0.215 1284 G C 1.335 176.240 174.900 0.009 0.000 1.128 1284 G CA 0.806 45.764 45.100 -0.237 0.000 0.774 1284 G HN 0.537 nan 8.290 nan 0.000 0.543 1285 M N 1.598 121.395 119.600 0.329 0.000 2.549 1285 M HA -0.069 4.410 4.480 -0.002 0.000 0.260 1285 M C 2.798 179.123 176.300 0.042 0.000 1.076 1285 M CA 1.217 56.714 55.300 0.329 0.000 1.090 1285 M CB -0.144 32.612 32.600 0.259 0.000 1.418 1285 M HN 0.379 nan 8.290 nan 0.000 0.486 1286 S N 0.018 115.564 115.700 -0.258 0.000 2.382 1286 S HA -0.178 4.291 4.470 -0.002 0.000 0.228 1286 S C 1.633 176.091 174.600 -0.237 0.000 1.027 1286 S CA 1.044 59.023 58.200 -0.369 0.000 0.991 1286 S CB -0.822 62.078 63.200 -0.500 0.000 0.823 1286 S HN 0.454 nan 8.310 nan 0.000 0.469 1287 Y N 3.155 123.418 120.300 -0.061 0.000 2.145 1287 Y HA -0.082 4.467 4.550 -0.002 0.000 0.286 1287 Y C 2.795 178.690 175.900 -0.008 0.000 1.145 1287 Y CA 1.032 59.122 58.100 -0.017 0.000 1.148 1287 Y CB -0.925 37.506 38.460 -0.048 0.000 0.981 1287 Y HN 0.606 nan 8.280 nan 0.000 0.507 1288 E N 0.085 120.375 120.200 0.151 0.000 2.106 1288 E HA -0.136 4.213 4.350 -0.002 0.000 0.192 1288 E C 2.311 178.937 176.600 0.043 0.000 0.984 1288 E CA 1.017 57.315 56.400 -0.171 0.000 0.806 1288 E CB -0.499 29.254 29.700 0.087 0.000 0.750 1288 E HN 0.311 nan 8.360 nan 0.000 0.458 1289 A N 2.108 125.018 122.820 0.149 0.000 1.883 1289 A HA -0.210 4.109 4.320 -0.002 0.000 0.217 1289 A C 2.144 179.882 177.584 0.257 0.000 1.186 1289 A CA 1.885 54.032 52.037 0.184 0.000 0.624 1289 A CB -0.422 18.398 19.000 -0.301 0.000 0.822 1289 A HN 0.194 nan 8.150 nan 0.000 0.444 1290 K N -1.618 118.860 120.400 0.129 0.000 2.097 1290 K HA -0.173 4.146 4.320 -0.002 0.000 0.205 1290 K C 2.074 178.773 176.600 0.166 0.000 1.050 1290 K CA 1.535 57.944 56.287 0.203 0.000 0.938 1290 K CB -0.327 32.264 32.500 0.151 0.000 0.718 1290 K HN 0.725 nan 8.250 nan 0.000 0.442 1291 H N 0.806 119.876 119.070 0.000 0.000 2.353 1291 H HA -0.089 4.466 4.556 -0.002 0.000 0.300 1291 H C 1.803 177.109 175.328 -0.037 0.000 1.090 1291 H CA 1.570 57.580 56.048 -0.064 0.000 1.327 1291 H CB -0.095 29.431 29.762 -0.393 0.000 1.383 1291 H HN -0.110 nan 8.280 nan 0.000 0.508 1292 V N 0.765 120.690 119.914 0.018 0.000 2.287 1292 V HA -0.280 3.839 4.120 -0.002 0.000 0.248 1292 V C 2.669 178.599 176.094 -0.272 0.000 1.053 1292 V CA 2.247 64.478 62.300 -0.115 0.000 1.027 1292 V CB -0.621 31.292 31.823 0.151 0.000 0.646 1292 V HN 0.427 nan 8.190 nan 0.000 0.447 1293 R N -0.090 120.383 120.500 -0.045 0.000 2.080 1293 R HA -0.204 4.135 4.340 -0.002 0.000 0.236 1293 R C 2.370 178.559 176.300 -0.184 0.000 1.137 1293 R CA 1.924 57.944 56.100 -0.134 0.000 0.943 1293 R CB -0.290 29.972 30.300 -0.064 0.000 0.846 1293 R HN 0.471 nan 8.270 nan 0.000 0.431 1294 E N 0.329 120.448 120.200 -0.136 0.000 2.097 1294 E HA -0.230 4.119 4.350 -0.002 0.000 0.196 1294 E C 2.139 178.618 176.600 -0.201 0.000 1.000 1294 E CA 1.544 57.860 56.400 -0.139 0.000 0.804 1294 E CB -0.511 29.136 29.700 -0.088 0.000 0.740 1294 E HN 0.478 nan 8.360 nan 0.000 0.454 1295 C N 0.512 119.619 119.300 -0.322 0.000 2.432 1295 C HA -0.102 4.357 4.460 -0.002 0.000 0.277 1295 C C 2.895 177.724 174.990 -0.268 0.000 1.249 1295 C CA 0.425 59.277 59.018 -0.277 0.000 1.725 1295 C CB -1.165 26.406 27.740 -0.282 0.000 2.028 1295 C HN 0.363 nan 8.230 nan 0.000 0.477 1296 L N 0.082 121.060 121.223 -0.407 0.000 2.093 1296 L HA -0.115 4.224 4.340 -0.002 0.000 0.208 1296 L C 2.857 179.610 176.870 -0.196 0.000 1.085 1296 L CA 1.376 56.013 54.840 -0.337 0.000 0.755 1296 L CB -0.641 41.163 42.059 -0.424 0.000 0.904 1296 L HN 0.322 nan 8.230 nan 0.000 0.435 1297 R N 0.363 120.755 120.500 -0.179 0.000 2.105 1297 R HA -0.162 4.177 4.340 -0.002 0.000 0.239 1297 R C 1.904 178.154 176.300 -0.084 0.000 1.135 1297 R CA 1.224 57.252 56.100 -0.120 0.000 0.967 1297 R CB -0.150 30.086 30.300 -0.107 0.000 0.861 1297 R HN 0.315 nan 8.270 nan 0.000 0.442 1298 K N -0.561 119.790 120.400 -0.080 0.000 2.487 1298 K HA 0.067 4.386 4.320 -0.002 0.000 0.192 1298 K C 0.720 177.302 176.600 -0.029 0.000 1.027 1298 K CA 0.511 56.771 56.287 -0.044 0.000 1.054 1298 K CB 0.651 33.132 32.500 -0.031 0.000 0.824 1298 K HN 0.373 nan 8.250 nan 0.000 0.510 1299 G N 1.850 110.625 108.800 -0.042 0.000 2.160 1299 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.251 1299 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.251 1299 G C 0.052 174.965 174.900 0.022 0.000 1.008 1299 G CA -0.070 45.020 45.100 -0.017 0.000 0.724 1299 G HN 0.173 nan 8.290 nan 0.000 0.514 1300 L N -0.615 120.631 121.223 0.040 0.000 2.417 1300 L HA 0.387 4.726 4.340 -0.002 0.000 0.268 1300 L C 1.324 178.343 176.870 0.249 0.000 1.158 1300 L CA -0.532 54.384 54.840 0.127 0.000 0.819 1300 L CB 0.577 42.729 42.059 0.154 0.000 1.112 1300 L HN -0.123 nan 8.230 nan 0.000 0.458 1301 K N 1.460 121.984 120.400 0.208 0.000 2.358 1301 K HA 0.176 4.495 4.320 -0.002 0.000 0.197 1301 K C -0.090 176.514 176.600 0.006 0.000 1.025 1301 K CA 0.192 56.587 56.287 0.179 0.000 1.104 1301 K CB 0.342 32.883 32.500 0.069 0.000 0.855 1301 K HN 0.785 nan 8.250 nan 0.000 0.531 1302 E N -1.618 118.611 120.200 0.048 0.000 2.429 1302 E HA 0.232 4.581 4.350 -0.002 0.000 0.280 1302 E C -1.296 175.392 176.600 0.146 0.000 1.068 1302 E CA -0.786 55.500 56.400 -0.190 0.000 0.837 1302 E CB 0.809 30.436 29.700 -0.121 0.000 1.357 1302 E HN -0.162 nan 8.360 nan 0.000 0.455 1303 S N 0.647 116.449 115.700 0.170 0.000 2.537 1303 S HA 0.292 4.761 4.470 -0.002 0.000 0.275 1303 S C -1.625 173.142 174.600 0.279 0.000 1.272 1303 S CA -1.539 56.909 58.200 0.413 0.000 1.050 1303 S CB 0.780 64.355 63.200 0.625 0.000 0.961 1303 S HN 0.463 nan 8.310 nan 0.000 0.496 1304 P HA -0.009 nan 4.420 nan 0.000 0.226 1304 P C 1.225 178.615 177.300 0.150 0.000 1.153 1304 P CA 0.533 63.741 63.100 0.181 0.000 0.777 1304 P CB 0.011 31.811 31.700 0.167 0.000 0.794 1305 V N -0.426 119.610 119.914 0.204 0.000 2.535 1305 V HA -0.012 4.107 4.120 -0.002 0.000 0.246 1305 V C 1.479 177.569 176.094 -0.007 0.000 1.045 1305 V CA 1.096 63.414 62.300 0.029 0.000 1.058 1305 V CB -0.392 31.352 31.823 -0.132 0.000 0.689 1305 V HN 0.011 nan 8.190 nan 0.000 0.461 1306 I N 2.132 122.769 120.570 0.111 0.000 2.782 1306 I HA 0.473 4.642 4.170 -0.002 0.000 0.279 1306 I C -2.723 173.442 176.117 0.079 0.000 1.247 1306 I CA -3.102 58.245 61.300 0.079 0.000 1.062 1306 I CB 1.080 39.143 38.000 0.105 0.000 1.421 1306 I HN 0.019 nan 8.210 nan 0.000 0.558 1307 P HA 0.178 nan 4.420 nan 0.000 0.272 1307 P C 1.133 178.433 177.300 -0.000 0.000 1.230 1307 P CA -0.132 62.986 63.100 0.029 0.000 0.788 1307 P CB 1.002 32.720 31.700 0.030 0.000 0.949 1308 L N 1.557 122.765 121.223 -0.026 0.000 2.131 1308 L HA -0.133 4.205 4.340 -0.002 0.000 0.210 1308 L C 2.503 179.362 176.870 -0.018 0.000 1.092 1308 L CA 1.093 55.910 54.840 -0.038 0.000 0.759 1308 L CB -0.693 41.330 42.059 -0.060 0.000 0.903 1308 L HN 0.228 nan 8.230 nan 0.000 0.435 1309 V N -0.079 119.830 119.914 -0.008 0.000 2.490 1309 V HA -0.281 3.838 4.120 -0.002 0.000 0.250 1309 V C 2.379 178.476 176.094 0.005 0.000 1.061 1309 V CA 2.058 64.357 62.300 -0.001 0.000 1.064 1309 V CB -0.054 31.771 31.823 0.004 0.000 0.670 1309 V HN 0.528 nan 8.190 nan 0.000 0.461 1310 E N -0.655 119.551 120.200 0.009 0.000 2.072 1310 E HA -0.153 4.196 4.350 -0.002 0.000 0.190 1310 E C 2.362 178.967 176.600 0.009 0.000 0.982 1310 E CA 1.228 57.637 56.400 0.015 0.000 0.803 1310 E CB -0.084 29.626 29.700 0.017 0.000 0.755 1310 E HN 0.637 nan 8.360 nan 0.000 0.453 1311 S N 0.763 116.463 115.700 0.000 0.000 2.374 1311 S HA -0.203 4.266 4.470 -0.002 0.000 0.227 1311 S C 1.678 176.273 174.600 -0.008 0.000 1.037 1311 S CA 1.386 59.581 58.200 -0.007 0.000 1.024 1311 S CB -0.217 62.972 63.200 -0.018 0.000 0.861 1311 S HN 0.322 nan 8.310 nan 0.000 0.456 1312 E N 0.349 120.544 120.200 -0.007 0.000 2.077 1312 E HA -0.158 4.191 4.350 -0.002 0.000 0.193 1312 E C 2.107 178.709 176.600 0.003 0.000 0.989 1312 E CA 1.074 57.471 56.400 -0.005 0.000 0.800 1312 E CB -0.230 29.467 29.700 -0.006 0.000 0.746 1312 E HN 0.293 nan 8.360 nan 0.000 0.452 1313 L N 1.027 122.255 121.223 0.008 0.000 2.046 1313 L HA -0.156 4.183 4.340 -0.002 0.000 0.208 1313 L C 2.018 178.902 176.870 0.024 0.000 1.077 1313 L CA 1.531 56.380 54.840 0.016 0.000 0.747 1313 L CB -0.326 41.749 42.059 0.026 0.000 0.896 1313 L HN 0.109 nan 8.230 nan 0.000 0.432 1314 L N -0.489 120.748 121.223 0.023 0.000 2.046 1314 L HA -0.192 4.147 4.340 -0.002 0.000 0.208 1314 L C 2.693 179.572 176.870 0.015 0.000 1.077 1314 L CA 1.228 56.081 54.840 0.022 0.000 0.747 1314 L CB -1.090 40.971 42.059 0.003 0.000 0.896 1314 L HN 0.399 nan 8.230 nan 0.000 0.432 1315 A N -0.145 122.678 122.820 0.005 0.000 1.898 1315 A HA -0.211 4.108 4.320 -0.002 0.000 0.216 1315 A C 1.924 179.517 177.584 0.014 0.000 1.181 1315 A CA 1.807 53.847 52.037 0.004 0.000 0.620 1315 A CB -0.472 18.527 19.000 -0.002 0.000 0.819 1315 A HN 0.345 nan 8.150 nan 0.000 0.442 1316 D N 0.242 120.650 120.400 0.013 0.000 2.104 1316 D HA -0.160 4.479 4.640 -0.002 0.000 0.194 1316 D C 1.856 178.168 176.300 0.021 0.000 0.994 1316 D CA 1.430 55.437 54.000 0.012 0.000 0.830 1316 D CB -0.406 40.398 40.800 0.006 0.000 0.959 1316 D HN 0.527 nan 8.370 nan 0.000 0.452 1317 I N 0.644 121.235 120.570 0.035 0.000 2.127 1317 I HA -0.238 3.931 4.170 -0.002 0.000 0.241 1317 I C 2.610 178.773 176.117 0.077 0.000 1.075 1317 I CA 0.681 62.018 61.300 0.061 0.000 1.334 1317 I CB -0.161 37.896 38.000 0.096 0.000 1.040 1317 I HN 0.025 nan 8.210 nan 0.000 0.405 1318 L N 0.437 121.701 121.223 0.070 0.000 2.042 1318 L HA -0.264 4.075 4.340 -0.002 0.000 0.210 1318 L C 2.606 179.506 176.870 0.049 0.000 1.076 1318 L CA 1.863 56.748 54.840 0.075 0.000 0.749 1318 L CB -0.523 41.563 42.059 0.044 0.000 0.893 1318 L HN 0.396 nan 8.230 nan 0.000 0.432 1319 E N 0.116 120.333 120.200 0.028 0.000 2.051 1319 E HA -0.251 4.098 4.350 -0.002 0.000 0.192 1319 E C 1.917 178.511 176.600 -0.009 0.000 0.991 1319 E CA 1.328 57.729 56.400 0.002 0.000 0.799 1319 E CB 0.063 29.765 29.700 0.004 0.000 0.748 1319 E HN 0.457 nan 8.360 nan 0.000 0.449 1320 E N -0.063 120.140 120.200 0.005 0.000 2.070 1320 E HA -0.213 4.136 4.350 -0.002 0.000 0.197 1320 E C 2.212 178.813 176.600 0.002 0.000 1.004 1320 E CA 1.586 57.986 56.400 0.000 0.000 0.805 1320 E CB -0.015 29.689 29.700 0.006 0.000 0.744 1320 E HN 0.162 nan 8.360 nan 0.000 0.451 1321 V N 1.092 121.022 119.914 0.026 0.000 2.255 1321 V HA -0.310 3.809 4.120 -0.002 0.000 0.247 1321 V C 2.471 178.567 176.094 0.003 0.000 1.051 1321 V CA 2.240 64.558 62.300 0.029 0.000 1.018 1321 V CB -0.544 31.334 31.823 0.092 0.000 0.641 1321 V HN 0.232 nan 8.190 nan 0.000 0.445 1322 R N -0.087 120.408 120.500 -0.007 0.000 2.091 1322 R HA -0.182 4.156 4.340 -0.002 0.000 0.238 1322 R C 2.496 178.747 176.300 -0.080 0.000 1.136 1322 R CA 1.777 57.844 56.100 -0.055 0.000 0.959 1322 R CB -0.195 30.041 30.300 -0.107 0.000 0.856 1322 R HN 0.452 nan 8.270 nan 0.000 0.437 1323 R N -0.333 120.124 120.500 -0.071 0.000 2.115 1323 R HA 0.000 4.339 4.340 -0.002 0.000 0.226 1323 R C 2.309 178.585 176.300 -0.041 0.000 1.100 1323 R CA 0.991 57.054 56.100 -0.062 0.000 0.980 1323 R CB -0.242 30.027 30.300 -0.052 0.000 0.875 1323 R HN 0.254 nan 8.270 nan 0.000 0.445 1324 A N 1.877 124.678 122.820 -0.031 0.000 2.024 1324 A HA -0.135 4.184 4.320 -0.002 0.000 0.220 1324 A C 1.987 179.556 177.584 -0.025 0.000 1.164 1324 A CA 1.360 53.382 52.037 -0.026 0.000 0.643 1324 A CB -0.547 18.439 19.000 -0.023 0.000 0.806 1324 A HN 0.488 nan 8.150 nan 0.000 0.451 1325 I N -5.537 115.017 120.570 -0.026 0.000 3.941 1325 I HA 0.526 4.695 4.170 -0.002 0.000 0.335 1325 I C 1.035 177.138 176.117 -0.023 0.000 1.402 1325 I CA 0.438 61.726 61.300 -0.021 0.000 1.112 1325 I CB -0.071 37.921 38.000 -0.013 0.000 1.043 1325 I HN 0.315 nan 8.210 nan 0.000 0.395 1326 G N 1.756 110.536 108.800 -0.033 0.000 2.136 1326 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.242 1326 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.242 1326 G C 0.050 174.926 174.900 -0.040 0.000 0.989 1326 G CA 0.096 45.176 45.100 -0.033 0.000 0.682 1326 G HN 0.294 nan 8.290 nan 0.000 0.522 1327 V N 2.341 122.214 119.914 -0.068 0.000 2.368 1327 V HA 0.619 4.738 4.120 -0.002 0.000 0.266 1327 V C 0.886 176.837 176.094 -0.239 0.000 1.045 1327 V CA 0.460 62.703 62.300 -0.095 0.000 0.899 1327 V CB 0.883 32.653 31.823 -0.089 0.000 1.006 1327 V HN 0.738 nan 8.190 nan 0.000 0.470 1328 T N 2.245 116.713 114.554 -0.144 0.000 2.912 1328 T HA 0.801 5.150 4.350 -0.002 0.000 0.288 1328 T C -0.845 173.817 174.700 -0.064 0.000 1.030 1328 T CA -0.578 61.417 62.100 -0.175 0.000 1.020 1328 T CB 1.702 70.568 68.868 -0.002 0.000 1.056 1328 T HN 0.106 nan 8.240 nan 0.000 0.480 1329 F N 1.175 121.169 119.950 0.074 0.000 2.538 1329 F HA 0.525 5.051 4.527 -0.002 0.000 0.325 1329 F C -1.650 174.157 175.800 0.012 0.000 1.066 1329 F CA -2.747 55.236 58.000 -0.028 0.000 0.946 1329 F CB 1.094 40.007 39.000 -0.144 0.000 1.199 1329 F HN 0.340 nan 8.300 nan 0.000 0.473 1330 P HA -0.203 nan 4.420 nan 0.000 0.217 1330 P C 0.972 178.324 177.300 0.087 0.000 1.151 1330 P CA 1.685 64.862 63.100 0.128 0.000 0.849 1330 P CB 0.205 31.942 31.700 0.061 0.000 0.787 1331 Q N -0.917 118.930 119.800 0.078 0.000 2.364 1331 Q HA -0.053 4.286 4.340 -0.002 0.000 0.207 1331 Q C 0.709 176.750 176.000 0.068 0.000 0.970 1331 Q CA 0.744 56.578 55.803 0.051 0.000 0.888 1331 Q CB -0.669 28.083 28.738 0.023 0.000 0.951 1331 Q HN 0.380 nan 8.270 nan 0.000 0.469 1332 D N 0.000 120.457 120.400 0.095 0.000 6.856 1332 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 1332 D CA 0.000 54.036 54.000 0.060 0.000 0.868 1332 D CB 0.000 40.823 40.800 0.038 0.000 0.688 1332 D HN 0.000 nan 8.370 nan 0.000 0.683