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 3myr_1_B DATA FIRST_RESID 1003 DATA SEQUENCE ERIVVDPITR IEGHLRIEAQ MDGATIAQAY SSGTMVRGIE TILKGRDPRD DATA SEQUENCE AWAFVQRICG VCTLVHGIAS VRAVEDALRI ELPLNAQLIR NLMIGAQYIH DATA SEQUENCE DHVMHFYHLH ALDWVDVVSA LSADPRATSE LAQSISAWPK SSPGYFADTQ DATA SEQUENCE KRIKTFVESG QLGIFANGYW GHPAYRLPPE ANLMAVAHYL EALAWQRDTA DATA SEQUENCE KFHAIFGGKN PHPNFVVGGV PSPIDLDSDS ALNAKRLAEV RNLIQSMRTF DATA SEQUENCE VDQVYVPDTL AIAGFYKDWG ERGEGLGNFL CYGDLPTGAS LDPATFLFPR DATA SEQUENCE GAILDRDLST IHEVDLEATG EIQEFVNHSW YEYSVGNDRG LHPYEGQTNL DATA SEQUENCE EYDRRGGVAP PYKQLDVSDG YSWLKAPRWK GRSVEVGPLA RVLMLYATGH DATA SEQUENCE DQARELVDST LSRLDLPVDA LYSTLGRTAA RALESKILVD AMQGWYDGLI DATA SEQUENCE ANVKSGDTKT FNETLWEPSS WPSRAQGVGI MEAPRGALGH WIVIEDGRIA DATA SEQUENCE NYQAVVPSTW NAGPRDGRGQ AGAYEAALQD NHQLVDVKQP IEILRTIHSF DATA SEQUENCE DPCIACAVH 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 1003 E HA 0.000 nan 4.350 nan 0.000 0.291 1003 E C 0.000 176.594 176.600 -0.010 0.000 1.382 1003 E CA 0.000 56.391 56.400 -0.014 0.000 0.976 1003 E CB 0.000 29.682 29.700 -0.030 0.000 0.812 1004 R N 0.777 121.266 120.500 -0.020 0.000 2.594 1004 R HA 0.306 4.645 4.340 -0.001 0.000 0.272 1004 R C 0.128 176.434 176.300 0.009 0.000 1.074 1004 R CA -0.383 55.714 56.100 -0.006 0.000 1.105 1004 R CB 0.368 30.651 30.300 -0.027 0.000 1.008 1004 R HN 0.260 nan 8.270 nan 0.000 0.472 1005 I N 2.914 123.495 120.570 0.018 0.000 2.588 1005 I HA 0.042 4.211 4.170 -0.001 0.000 0.283 1005 I C 0.220 176.356 176.117 0.031 0.000 1.119 1005 I CA 0.210 61.522 61.300 0.020 0.000 1.419 1005 I CB 1.021 39.029 38.000 0.014 0.000 1.394 1005 I HN 0.264 nan 8.210 nan 0.000 0.562 1006 V N 7.002 126.938 119.914 0.036 0.000 2.487 1006 V HA 0.355 4.474 4.120 -0.001 0.000 0.298 1006 V C -0.230 175.896 176.094 0.052 0.000 1.028 1006 V CA -0.785 61.547 62.300 0.055 0.000 0.860 1006 V CB 2.446 34.311 31.823 0.069 0.000 0.991 1006 V HN 0.492 nan 8.190 nan 0.000 0.427 1007 V N 4.547 124.498 119.914 0.061 0.000 2.326 1007 V HA 0.713 4.832 4.120 -0.001 0.000 0.281 1007 V C -1.368 174.780 176.094 0.089 0.000 1.015 1007 V CA 0.032 62.369 62.300 0.063 0.000 0.823 1007 V CB 1.372 33.218 31.823 0.039 0.000 1.009 1007 V HN 0.982 nan 8.190 nan 0.000 0.436 1008 D N 7.265 127.721 120.400 0.093 0.000 2.613 1008 D HA 0.502 5.141 4.640 -0.001 0.000 0.230 1008 D C -2.594 173.762 176.300 0.094 0.000 1.365 1008 D CA -0.597 53.469 54.000 0.111 0.000 0.976 1008 D CB 2.571 43.443 40.800 0.119 0.000 1.415 1008 D HN 0.523 nan 8.370 nan 0.000 0.589 1009 P HA 0.428 nan 4.420 nan 0.000 0.282 1009 P C -0.038 177.335 177.300 0.123 0.000 1.249 1009 P CA -0.685 62.498 63.100 0.138 0.000 0.806 1009 P CB 1.082 32.871 31.700 0.149 0.000 0.984 1010 I N 2.532 123.179 120.570 0.127 0.000 2.533 1010 I HA 0.046 4.216 4.170 -0.001 0.000 0.284 1010 I C 1.406 177.608 176.117 0.142 0.000 1.109 1010 I CA 0.436 61.803 61.300 0.112 0.000 1.412 1010 I CB 0.171 38.228 38.000 0.095 0.000 1.396 1010 I HN 0.537 nan 8.210 nan 0.000 0.543 1011 T N 3.306 117.956 114.554 0.161 0.000 2.910 1011 T HA 0.493 4.843 4.350 -0.001 0.000 0.279 1011 T C 0.672 175.515 174.700 0.240 0.000 0.989 1011 T CA -0.834 61.363 62.100 0.161 0.000 0.968 1011 T CB 1.189 70.128 68.868 0.118 0.000 1.135 1011 T HN 0.620 nan 8.240 nan 0.000 0.562 1012 R N -0.143 120.437 120.500 0.133 0.000 3.525 1012 R HA -0.146 4.193 4.340 -0.001 0.000 0.276 1012 R C 0.049 176.393 176.300 0.074 0.000 1.116 1012 R CA 0.915 57.033 56.100 0.031 0.000 0.745 1012 R CB -2.187 28.013 30.300 -0.168 0.000 1.185 1012 R HN 0.791 nan 8.270 nan 0.000 0.454 1013 I N -4.694 115.975 120.570 0.166 0.000 3.445 1013 I HA 0.555 4.724 4.170 -0.001 0.000 0.303 1013 I C -0.015 176.179 176.117 0.128 0.000 1.129 1013 I CA -1.159 60.253 61.300 0.187 0.000 0.989 1013 I CB 1.608 39.742 38.000 0.223 0.000 1.314 1013 I HN -0.241 nan 8.210 nan 0.000 0.488 1014 E N 1.431 121.712 120.200 0.135 0.000 2.200 1014 E HA 0.546 4.895 4.350 -0.001 0.000 0.283 1014 E C 0.102 176.734 176.600 0.054 0.000 1.015 1014 E CA 0.835 57.290 56.400 0.093 0.000 0.819 1014 E CB 1.057 30.832 29.700 0.125 0.000 1.081 1014 E HN 0.998 nan 8.360 nan 0.000 0.397 1015 G N 4.163 112.923 108.800 -0.068 0.000 2.615 1015 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.218 1015 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.218 1015 G C -0.979 173.756 174.900 -0.274 0.000 1.339 1015 G CA -0.280 44.703 45.100 -0.194 0.000 0.884 1015 G HN 0.731 nan 8.290 nan 0.000 0.559 1016 H N -0.710 118.457 119.070 0.162 0.000 2.718 1016 H HA 0.622 5.178 4.556 -0.001 0.000 0.295 1016 H C -0.172 175.275 175.328 0.198 0.000 1.051 1016 H CA -0.434 55.714 56.048 0.168 0.000 1.260 1016 H CB 1.397 31.255 29.762 0.160 0.000 1.403 1016 H HN 0.581 nan 8.280 nan 0.000 0.488 1017 L N 2.867 124.250 121.223 0.267 0.000 2.386 1017 L HA 0.526 4.865 4.340 -0.001 0.000 0.271 1017 L C -0.865 176.140 176.870 0.225 0.000 0.993 1017 L CA -0.695 54.293 54.840 0.247 0.000 0.819 1017 L CB 1.556 43.751 42.059 0.226 0.000 1.294 1017 L HN 0.562 nan 8.230 nan 0.000 0.414 1018 R N 5.589 126.228 120.500 0.232 0.000 2.534 1018 R HA 0.662 5.001 4.340 -0.001 0.000 0.301 1018 R C -1.670 174.739 176.300 0.181 0.000 0.961 1018 R CA -0.699 55.525 56.100 0.207 0.000 0.871 1018 R CB 1.219 31.671 30.300 0.254 0.000 1.170 1018 R HN 0.618 nan 8.270 nan 0.000 0.446 1019 I N 3.463 124.115 120.570 0.137 0.000 2.404 1019 I HA 0.343 4.512 4.170 -0.001 0.000 0.293 1019 I C -0.133 176.045 176.117 0.101 0.000 0.992 1019 I CA -0.537 60.831 61.300 0.113 0.000 1.149 1019 I CB 1.768 39.807 38.000 0.066 0.000 1.315 1019 I HN 0.719 nan 8.210 nan 0.000 0.446 1020 E N 4.100 124.368 120.200 0.114 0.000 2.212 1020 E HA 0.763 5.112 4.350 -0.001 0.000 0.268 1020 E C -0.918 175.766 176.600 0.139 0.000 0.902 1020 E CA -0.858 55.601 56.400 0.097 0.000 0.779 1020 E CB 2.833 32.555 29.700 0.037 0.000 1.172 1020 E HN 0.698 nan 8.360 nan 0.000 0.409 1021 A N 2.585 125.460 122.820 0.092 0.000 2.359 1021 A HA 0.323 4.642 4.320 -0.001 0.000 0.303 1021 A C -0.968 176.658 177.584 0.070 0.000 1.066 1021 A CA -0.711 51.371 52.037 0.075 0.000 0.730 1021 A CB 1.548 20.564 19.000 0.027 0.000 1.211 1021 A HN 0.467 nan 8.150 nan 0.000 0.439 1022 Q N 2.730 122.586 119.800 0.092 0.000 2.314 1022 Q HA 0.484 4.824 4.340 -0.001 0.000 0.257 1022 Q C -0.581 175.437 176.000 0.030 0.000 0.975 1022 Q CA 0.079 55.919 55.803 0.062 0.000 0.933 1022 Q CB 0.362 29.154 28.738 0.091 0.000 1.195 1022 Q HN 0.626 nan 8.270 nan 0.000 0.426 1023 M N 2.729 122.341 119.600 0.020 0.000 2.277 1023 M HA 0.254 4.734 4.480 -0.001 0.000 0.350 1023 M C -0.661 175.644 176.300 0.010 0.000 1.180 1023 M CA -0.545 54.763 55.300 0.014 0.000 1.103 1023 M CB 1.095 33.702 32.600 0.012 0.000 1.577 1023 M HN 0.598 nan 8.290 nan 0.000 0.459 1024 D N 1.961 122.365 120.400 0.008 0.000 2.464 1024 D HA 0.531 5.170 4.640 -0.001 0.000 0.243 1024 D C 0.786 177.088 176.300 0.004 0.000 1.104 1024 D CA 0.647 54.650 54.000 0.004 0.000 0.883 1024 D CB 0.541 41.343 40.800 0.002 0.000 1.050 1024 D HN 0.854 nan 8.370 nan 0.000 0.524 1025 G N 3.207 112.008 108.800 0.003 0.000 2.583 1025 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.292 1025 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.292 1025 G C 1.071 175.975 174.900 0.006 0.000 1.203 1025 G CA 0.581 45.683 45.100 0.003 0.000 0.987 1025 G HN 1.022 nan 8.290 nan 0.000 0.554 1026 A N -0.698 122.125 122.820 0.006 0.000 2.235 1026 A HA 0.497 4.816 4.320 -0.001 0.000 0.208 1026 A C 1.358 178.952 177.584 0.017 0.000 1.172 1026 A CA 2.038 54.082 52.037 0.011 0.000 0.786 1026 A CB -0.249 18.757 19.000 0.009 0.000 0.804 1026 A HN 1.117 nan 8.150 nan 0.000 0.479 1027 T N 0.954 115.517 114.554 0.014 0.000 2.806 1027 T HA 0.442 4.791 4.350 -0.001 0.000 0.290 1027 T C 0.116 174.830 174.700 0.022 0.000 0.966 1027 T CA -0.129 61.982 62.100 0.019 0.000 1.060 1027 T CB 0.773 69.646 68.868 0.009 0.000 0.927 1027 T HN 0.227 nan 8.240 nan 0.000 0.485 1028 I N 3.229 123.820 120.570 0.036 0.000 2.494 1028 I HA 0.126 4.295 4.170 -0.001 0.000 0.289 1028 I C 1.318 177.435 176.117 0.001 0.000 1.106 1028 I CA -0.236 61.075 61.300 0.018 0.000 1.369 1028 I CB 0.709 38.717 38.000 0.013 0.000 1.410 1028 I HN 0.790 nan 8.210 nan 0.000 0.523 1029 A N 6.469 129.285 122.820 -0.006 0.000 1.901 1029 A HA 0.135 4.454 4.320 -0.001 0.000 0.210 1029 A C 0.865 178.422 177.584 -0.045 0.000 1.208 1029 A CA 0.757 52.785 52.037 -0.016 0.000 0.644 1029 A CB 0.311 19.308 19.000 -0.004 0.000 0.863 1029 A HN 0.662 nan 8.150 nan 0.000 0.454 1030 Q N -1.233 118.535 119.800 -0.055 0.000 2.359 1030 Q HA 0.672 5.011 4.340 -0.001 0.000 0.274 1030 Q C -1.235 174.637 176.000 -0.214 0.000 1.074 1030 Q CA -0.301 55.404 55.803 -0.164 0.000 0.810 1030 Q CB 2.046 30.698 28.738 -0.142 0.000 1.342 1030 Q HN 0.380 nan 8.270 nan 0.000 0.427 1031 A N 2.067 124.651 122.820 -0.393 0.000 2.355 1031 A HA 0.861 5.180 4.320 -0.001 0.000 0.324 1031 A C -1.646 175.540 177.584 -0.662 0.000 1.117 1031 A CA -0.457 51.388 52.037 -0.319 0.000 0.785 1031 A CB 1.060 19.955 19.000 -0.175 0.000 1.254 1031 A HN 0.612 nan 8.150 nan 0.000 0.453 1032 Y N 0.286 120.513 120.300 -0.121 0.000 2.406 1032 Y HA 0.564 5.113 4.550 -0.001 0.000 0.340 1032 Y C 0.462 176.359 175.900 -0.005 0.000 0.975 1032 Y CA -0.435 57.563 58.100 -0.171 0.000 1.056 1032 Y CB 2.525 40.690 38.460 -0.492 0.000 1.210 1032 Y HN 0.580 nan 8.280 nan 0.000 0.448 1033 S N 2.460 118.305 115.700 0.240 0.000 2.433 1033 S HA 0.607 5.077 4.470 -0.001 0.000 0.310 1033 S C -0.801 173.948 174.600 0.249 0.000 1.097 1033 S CA -0.360 57.967 58.200 0.211 0.000 1.103 1033 S CB 0.756 64.026 63.200 0.117 0.000 0.992 1033 S HN 0.594 nan 8.310 nan 0.000 0.469 1034 S N 3.797 119.630 115.700 0.221 0.000 2.647 1034 S HA 0.667 5.136 4.470 -0.001 0.000 0.300 1034 S C -0.031 174.703 174.600 0.223 0.000 1.129 1034 S CA -0.505 57.810 58.200 0.192 0.000 1.029 1034 S CB 0.848 64.199 63.200 0.252 0.000 1.007 1034 S HN 0.953 nan 8.310 nan 0.000 0.484 1035 G N 2.232 111.156 108.800 0.206 0.000 2.339 1035 G HA2 0.437 4.396 3.960 -0.001 0.000 0.287 1035 G HA3 0.437 4.396 3.960 -0.001 0.000 0.287 1035 G C 0.624 175.841 174.900 0.528 0.000 1.163 1035 G CA -0.261 45.032 45.100 0.322 0.000 0.872 1035 G HN 0.874 nan 8.290 nan 0.000 0.464 1036 T N 0.299 115.167 114.554 0.524 0.000 3.266 1036 T HA 0.471 4.820 4.350 -0.001 0.000 0.278 1036 T C 0.303 175.255 174.700 0.420 0.000 1.010 1036 T CA -0.503 61.955 62.100 0.596 0.000 0.909 1036 T CB 0.005 69.138 68.868 0.441 0.000 1.122 1036 T HN 0.425 nan 8.240 nan 0.000 0.536 1037 M N 1.663 121.472 119.600 0.348 0.000 2.371 1037 M HA 0.654 5.133 4.480 -0.001 0.000 0.287 1037 M C -2.264 173.947 176.300 -0.149 0.000 1.149 1037 M CA -0.863 54.456 55.300 0.032 0.000 0.929 1037 M CB 2.256 34.909 32.600 0.089 0.000 1.683 1037 M HN 0.083 nan 8.290 nan 0.000 0.470 1038 V N 5.919 125.534 119.914 -0.499 0.000 2.962 1038 V HA 0.631 4.750 4.120 -0.001 0.000 0.313 1038 V C -0.102 175.787 176.094 -0.341 0.000 1.099 1038 V CA -0.246 61.746 62.300 -0.514 0.000 0.971 1038 V CB 2.683 33.800 31.823 -1.176 0.000 1.028 1038 V HN 1.068 nan 8.190 nan 0.000 0.430 1039 R N 3.081 123.465 120.500 -0.194 0.000 2.310 1039 R HA 0.415 4.754 4.340 -0.001 0.000 0.199 1039 R C 1.089 177.337 176.300 -0.088 0.000 0.891 1039 R CA 0.571 56.600 56.100 -0.119 0.000 1.060 1039 R CB 0.795 31.070 30.300 -0.042 0.000 1.188 1039 R HN 1.282 nan 8.270 nan 0.000 0.607 1040 G N 1.827 110.592 108.800 -0.059 0.000 2.291 1040 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.271 1040 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.271 1040 G C 0.536 175.447 174.900 0.018 0.000 1.099 1040 G CA 0.114 45.211 45.100 -0.004 0.000 0.919 1040 G HN 0.236 nan 8.290 nan 0.000 0.496 1041 I N -0.403 120.189 120.570 0.037 0.000 2.361 1041 I HA -0.168 4.001 4.170 -0.001 0.000 0.251 1041 I C 2.582 178.694 176.117 -0.008 0.000 1.133 1041 I CA 1.856 63.172 61.300 0.026 0.000 1.413 1041 I CB -0.194 37.827 38.000 0.035 0.000 1.073 1041 I HN 0.464 nan 8.210 nan 0.000 0.424 1042 E N 0.251 120.482 120.200 0.051 0.000 2.118 1042 E HA -0.191 4.158 4.350 -0.001 0.000 0.195 1042 E C 2.114 178.721 176.600 0.010 0.000 0.992 1042 E CA 1.836 58.263 56.400 0.046 0.000 0.804 1042 E CB -0.115 29.664 29.700 0.131 0.000 0.741 1042 E HN 0.435 nan 8.360 nan 0.000 0.458 1043 T N 0.839 115.405 114.554 0.020 0.000 2.857 1043 T HA -0.050 4.299 4.350 -0.001 0.000 0.266 1043 T C 1.899 176.580 174.700 -0.031 0.000 1.048 1043 T CA 0.646 62.752 62.100 0.009 0.000 1.139 1043 T CB -0.117 68.768 68.868 0.028 0.000 0.874 1043 T HN 0.098 nan 8.240 nan 0.000 0.455 1044 I N 0.921 121.466 120.570 -0.042 0.000 2.264 1044 I HA -0.153 4.016 4.170 -0.001 0.000 0.248 1044 I C 2.040 178.037 176.117 -0.200 0.000 1.111 1044 I CA 1.198 62.455 61.300 -0.071 0.000 1.382 1044 I CB -0.358 37.641 38.000 -0.001 0.000 1.060 1044 I HN 0.209 nan 8.210 nan 0.000 0.418 1045 L N 0.183 121.250 121.223 -0.260 0.000 2.201 1045 L HA -0.094 4.246 4.340 -0.001 0.000 0.212 1045 L C 1.113 177.837 176.870 -0.244 0.000 1.105 1045 L CA 0.657 55.258 54.840 -0.399 0.000 0.775 1045 L CB -0.480 41.327 42.059 -0.421 0.000 0.913 1045 L HN 0.096 nan 8.230 nan 0.000 0.440 1046 K N 0.787 121.115 120.400 -0.120 0.000 2.524 1046 K HA 0.060 4.379 4.320 -0.001 0.000 0.279 1046 K C 1.119 177.675 176.600 -0.072 0.000 0.993 1046 K CA 0.883 57.136 56.287 -0.056 0.000 1.030 1046 K CB 0.208 32.695 32.500 -0.021 0.000 0.891 1046 K HN 0.309 nan 8.250 nan 0.000 0.488 1047 G N 2.518 111.292 108.800 -0.043 0.000 2.199 1047 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.254 1047 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.254 1047 G C 0.257 175.125 174.900 -0.053 0.000 0.982 1047 G CA 0.045 45.124 45.100 -0.036 0.000 0.632 1047 G HN 0.588 nan 8.290 nan 0.000 0.529 1048 R N 0.315 120.752 120.500 -0.105 0.000 2.541 1048 R HA 0.443 4.782 4.340 -0.001 0.000 0.263 1048 R C -0.394 175.875 176.300 -0.052 0.000 1.112 1048 R CA -0.591 55.429 56.100 -0.133 0.000 1.170 1048 R CB 0.395 30.493 30.300 -0.337 0.000 1.167 1048 R HN 0.176 nan 8.270 nan 0.000 0.582 1049 D N 1.042 121.429 120.400 -0.022 0.000 2.343 1049 D HA 0.056 4.695 4.640 -0.001 0.000 0.255 1049 D C -1.719 174.635 176.300 0.091 0.000 1.187 1049 D CA -1.826 52.213 54.000 0.064 0.000 0.875 1049 D CB 1.407 42.243 40.800 0.059 0.000 1.136 1049 D HN 0.119 nan 8.370 nan 0.000 0.469 1050 P HA -0.099 nan 4.420 nan 0.000 0.218 1050 P C 1.056 178.460 177.300 0.174 0.000 1.146 1050 P CA 1.062 64.243 63.100 0.135 0.000 0.813 1050 P CB 0.270 31.981 31.700 0.019 0.000 0.778 1051 R N -0.815 119.810 120.500 0.209 0.000 2.148 1051 R HA -0.076 4.263 4.340 -0.001 0.000 0.227 1051 R C 1.233 177.730 176.300 0.329 0.000 1.103 1051 R CA 1.149 57.402 56.100 0.256 0.000 0.983 1051 R CB -0.506 29.827 30.300 0.054 0.000 0.874 1051 R HN 0.229 nan 8.270 nan 0.000 0.451 1052 D N 0.349 120.854 120.400 0.176 0.000 2.323 1052 D HA 0.038 4.677 4.640 -0.001 0.000 0.209 1052 D C 1.667 177.962 176.300 -0.010 0.000 0.973 1052 D CA 0.708 54.752 54.000 0.074 0.000 0.874 1052 D CB -0.031 40.855 40.800 0.143 0.000 0.930 1052 D HN 0.157 nan 8.370 nan 0.000 0.521 1053 A N 2.010 124.858 122.820 0.046 0.000 1.927 1053 A HA -0.199 4.120 4.320 -0.001 0.000 0.220 1053 A C 2.111 179.729 177.584 0.055 0.000 1.185 1053 A CA 1.689 53.712 52.037 -0.023 0.000 0.639 1053 A CB -1.368 17.629 19.000 -0.006 0.000 0.820 1053 A HN 0.589 nan 8.150 nan 0.000 0.451 1054 W N -0.600 120.825 121.300 0.208 0.000 2.342 1054 W HA -0.092 4.567 4.660 -0.002 0.000 0.297 1054 W C 1.919 178.547 176.519 0.182 0.000 1.213 1054 W CA 1.396 58.857 57.345 0.194 0.000 1.251 1054 W CB -1.189 28.385 29.460 0.189 0.000 1.136 1054 W HN 0.402 nan 8.180 nan 0.000 0.526 1055 A N 0.799 122.944 122.820 -1.126 0.000 1.930 1055 A HA -0.052 4.267 4.320 -0.001 0.000 0.217 1055 A C 1.846 179.138 177.584 -0.486 0.000 1.175 1055 A CA 1.362 52.717 52.037 -1.136 0.000 0.627 1055 A CB -1.275 16.873 19.000 -1.419 0.000 0.815 1055 A HN 0.229 nan 8.150 nan 0.000 0.443 1056 F N 0.204 119.924 119.950 -0.383 0.000 2.084 1056 F HA -0.151 4.375 4.527 -0.001 0.000 0.296 1056 F C 2.526 178.210 175.800 -0.193 0.000 1.111 1056 F CA 1.931 59.778 58.000 -0.254 0.000 1.224 1056 F CB -0.708 38.143 39.000 -0.249 0.000 0.991 1056 F HN 0.149 nan 8.300 nan 0.000 0.471 1057 V N -1.887 118.062 119.914 0.057 0.000 3.041 1057 V HA -0.161 3.958 4.120 -0.001 0.000 0.260 1057 V C 1.953 178.101 176.094 0.091 0.000 1.105 1057 V CA 1.356 63.666 62.300 0.017 0.000 1.125 1057 V CB -1.078 30.766 31.823 0.035 0.000 0.730 1057 V HN 0.458 nan 8.190 nan 0.000 0.479 1058 Q N 0.737 120.623 119.800 0.143 0.000 2.135 1058 Q HA -0.233 4.106 4.340 -0.001 0.000 0.204 1058 Q C 2.117 178.097 176.000 -0.034 0.000 0.981 1058 Q CA 1.922 57.816 55.803 0.151 0.000 0.856 1058 Q CB -0.037 28.823 28.738 0.203 0.000 0.902 1058 Q HN 0.512 nan 8.270 nan 0.000 0.425 1059 R N 0.100 120.489 120.500 -0.186 0.000 2.323 1059 R HA 0.100 4.439 4.340 -0.001 0.000 0.198 1059 R C 1.623 177.928 176.300 0.009 0.000 0.988 1059 R CA 0.254 56.262 56.100 -0.154 0.000 1.041 1059 R CB -0.271 29.919 30.300 -0.184 0.000 0.926 1059 R HN 0.405 nan 8.270 nan 0.000 0.476 1060 I N -1.368 119.190 120.570 -0.021 0.000 2.248 1060 I HA -0.305 3.864 4.170 -0.001 0.000 0.248 1060 I C 0.594 176.776 176.117 0.109 0.000 1.107 1060 I CA 0.979 62.259 61.300 -0.034 0.000 1.373 1060 I CB 0.038 37.808 38.000 -0.383 0.000 1.055 1060 I HN 0.159 nan 8.210 nan 0.000 0.418 1061 C N -0.330 119.109 119.300 0.231 0.000 3.046 1061 C HA 0.490 4.949 4.460 -0.001 0.000 0.388 1061 C C 1.017 176.242 174.990 0.392 0.000 1.041 1061 C CA -0.601 58.593 59.018 0.293 0.000 1.241 1061 C CB 0.880 28.798 27.740 0.298 0.000 1.638 1061 C HN 0.500 nan 8.230 nan 0.000 0.539 1062 G N 2.862 111.828 108.800 0.278 0.000 3.088 1062 G HA2 0.237 4.196 3.960 -0.001 0.000 0.217 1062 G HA3 0.237 4.196 3.960 -0.001 0.000 0.217 1062 G C 0.909 175.854 174.900 0.075 0.000 1.159 1062 G CA 0.913 46.069 45.100 0.094 0.000 0.760 1062 G HN 0.694 nan 8.290 nan 0.000 0.550 1063 V N 1.091 121.090 119.914 0.143 0.000 2.341 1063 V HA -0.063 4.056 4.120 -0.001 0.000 0.240 1063 V C 2.153 178.344 176.094 0.163 0.000 1.035 1063 V CA 1.367 63.756 62.300 0.148 0.000 1.033 1063 V CB -0.367 31.549 31.823 0.154 0.000 0.678 1063 V HN 0.573 nan 8.190 nan 0.000 0.464 1064 C N 1.359 120.761 119.300 0.169 0.000 3.057 1064 C HA 0.436 4.895 4.460 -0.001 0.000 0.563 1064 C C 1.095 176.204 174.990 0.199 0.000 1.129 1064 C CA -1.022 58.080 59.018 0.140 0.000 1.284 1064 C CB -2.345 25.444 27.740 0.082 0.000 1.532 1064 C HN 0.433 nan 8.230 nan 0.000 0.631 1065 T N 0.767 115.452 114.554 0.219 0.000 2.734 1065 T HA 0.273 4.622 4.350 -0.001 0.000 0.314 1065 T C 1.061 175.926 174.700 0.276 0.000 1.057 1065 T CA 1.058 63.343 62.100 0.308 0.000 1.047 1065 T CB 0.317 69.326 68.868 0.234 0.000 0.991 1065 T HN 1.510 nan 8.240 nan 0.000 0.540 1066 L N 1.882 123.300 121.223 0.325 0.000 3.271 1066 L HA -0.273 4.066 4.340 -0.001 0.000 0.385 1066 L C 1.732 178.571 176.870 -0.052 0.000 0.696 1066 L CA 2.232 57.206 54.840 0.223 0.000 3.118 1066 L CB -1.967 40.219 42.059 0.212 0.000 0.639 1066 L HN 0.620 nan 8.230 nan 0.000 0.752 1067 V N -3.109 116.788 119.914 -0.027 0.000 2.548 1067 V HA -0.166 3.953 4.120 -0.001 0.000 0.249 1067 V C 2.306 178.226 176.094 -0.289 0.000 1.055 1067 V CA 1.922 64.112 62.300 -0.183 0.000 1.065 1067 V CB -1.040 30.655 31.823 -0.213 0.000 0.681 1067 V HN 0.689 nan 8.190 nan 0.000 0.462 1068 H N 1.183 120.248 119.070 -0.008 0.000 2.436 1068 H HA 0.121 4.676 4.556 -0.002 0.000 0.294 1068 H C 2.461 177.778 175.328 -0.018 0.000 1.048 1068 H CA 1.427 57.496 56.048 0.034 0.000 1.353 1068 H CB -0.401 29.507 29.762 0.243 0.000 1.414 1068 H HN 0.573 nan 8.280 nan 0.000 0.536 1069 G N 1.327 110.116 108.800 -0.019 0.000 2.459 1069 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.217 1069 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.217 1069 G C 1.881 176.434 174.900 -0.577 0.000 1.183 1069 G CA 0.725 45.679 45.100 -0.243 0.000 0.776 1069 G HN 0.279 nan 8.290 nan 0.000 0.552 1070 I N 1.337 121.442 120.570 -0.775 0.000 2.179 1070 I HA -0.201 3.968 4.170 -0.001 0.000 0.242 1070 I C 3.307 179.237 176.117 -0.311 0.000 1.088 1070 I CA 1.083 62.064 61.300 -0.533 0.000 1.357 1070 I CB -0.190 37.567 38.000 -0.405 0.000 1.051 1070 I HN 0.259 nan 8.210 nan 0.000 0.409 1071 A N -0.563 122.047 122.820 -0.350 0.000 1.933 1071 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 1071 A C 2.464 179.873 177.584 -0.292 0.000 1.175 1071 A CA 2.224 54.005 52.037 -0.426 0.000 0.628 1071 A CB -0.782 17.737 19.000 -0.801 0.000 0.814 1071 A HN 0.413 nan 8.150 nan 0.000 0.444 1072 S N -0.420 115.225 115.700 -0.092 0.000 2.356 1072 S HA -0.148 4.321 4.470 -0.001 0.000 0.223 1072 S C 2.039 176.760 174.600 0.201 0.000 1.032 1072 S CA 2.070 60.452 58.200 0.303 0.000 1.005 1072 S CB -0.720 62.787 63.200 0.513 0.000 0.867 1072 S HN 0.892 nan 8.310 nan 0.000 0.449 1073 V N 0.107 120.089 119.914 0.114 0.000 2.548 1073 V HA 0.058 4.177 4.120 -0.001 0.000 0.249 1073 V C 2.322 178.436 176.094 0.033 0.000 1.055 1073 V CA 1.442 63.809 62.300 0.112 0.000 1.065 1073 V CB -0.989 30.871 31.823 0.061 0.000 0.681 1073 V HN 0.323 nan 8.190 nan 0.000 0.462 1074 R N 0.917 121.396 120.500 -0.034 0.000 2.120 1074 R HA 0.023 4.362 4.340 -0.001 0.000 0.234 1074 R C 2.522 178.782 176.300 -0.066 0.000 1.123 1074 R CA 1.471 57.535 56.100 -0.060 0.000 0.975 1074 R CB -0.606 29.633 30.300 -0.101 0.000 0.866 1074 R HN 0.634 nan 8.270 nan 0.000 0.446 1075 A N 0.544 123.328 122.820 -0.060 0.000 1.873 1075 A HA -0.098 4.221 4.320 -0.001 0.000 0.215 1075 A C 2.310 179.860 177.584 -0.057 0.000 1.186 1075 A CA 1.276 53.263 52.037 -0.084 0.000 0.616 1075 A CB -0.465 18.486 19.000 -0.081 0.000 0.823 1075 A HN 0.104 nan 8.150 nan 0.000 0.442 1076 V N 0.166 120.072 119.914 -0.013 0.000 2.295 1076 V HA -0.288 3.831 4.120 -0.001 0.000 0.246 1076 V C 2.372 178.402 176.094 -0.106 0.000 1.049 1076 V CA 2.360 64.620 62.300 -0.067 0.000 1.024 1076 V CB -1.022 30.786 31.823 -0.025 0.000 0.648 1076 V HN 0.637 nan 8.190 nan 0.000 0.447 1077 E N 0.005 120.175 120.200 -0.051 0.000 2.118 1077 E HA -0.274 4.075 4.350 -0.001 0.000 0.195 1077 E C 1.968 178.530 176.600 -0.063 0.000 0.992 1077 E CA 1.610 57.980 56.400 -0.050 0.000 0.804 1077 E CB -0.206 29.482 29.700 -0.020 0.000 0.741 1077 E HN 0.698 nan 8.360 nan 0.000 0.458 1078 D N 0.082 120.444 120.400 -0.063 0.000 2.097 1078 D HA -0.112 4.528 4.640 -0.001 0.000 0.197 1078 D C 1.899 178.163 176.300 -0.060 0.000 0.984 1078 D CA 1.439 55.405 54.000 -0.056 0.000 0.826 1078 D CB -0.045 40.716 40.800 -0.065 0.000 0.973 1078 D HN 0.152 nan 8.370 nan 0.000 0.460 1079 A N -0.340 122.432 122.820 -0.080 0.000 1.972 1079 A HA -0.084 4.236 4.320 -0.001 0.000 0.219 1079 A C 1.799 179.309 177.584 -0.124 0.000 1.169 1079 A CA 1.023 53.003 52.037 -0.094 0.000 0.635 1079 A CB -0.333 18.593 19.000 -0.123 0.000 0.810 1079 A HN 0.346 nan 8.150 nan 0.000 0.446 1080 L N -1.489 119.639 121.223 -0.159 0.000 2.664 1080 L HA 0.217 4.556 4.340 -0.001 0.000 0.233 1080 L C 0.426 177.243 176.870 -0.089 0.000 1.113 1080 L CA 0.464 55.197 54.840 -0.180 0.000 0.896 1080 L CB -0.445 41.426 42.059 -0.312 0.000 1.163 1080 L HN 0.453 nan 8.230 nan 0.000 0.497 1081 R N 0.112 120.572 120.500 -0.067 0.000 3.267 1081 R HA -0.181 4.158 4.340 -0.001 0.000 0.254 1081 R C -0.241 176.040 176.300 -0.031 0.000 0.993 1081 R CA 0.391 56.468 56.100 -0.039 0.000 0.670 1081 R CB -2.857 27.428 30.300 -0.024 0.000 1.125 1081 R HN 0.253 nan 8.270 nan 0.000 0.434 1082 I N 1.468 122.015 120.570 -0.038 0.000 2.342 1082 I HA 0.119 4.288 4.170 -0.001 0.000 0.291 1082 I C 1.135 177.235 176.117 -0.028 0.000 1.010 1082 I CA -0.206 61.077 61.300 -0.029 0.000 1.308 1082 I CB 1.032 39.017 38.000 -0.025 0.000 1.400 1082 I HN -0.013 nan 8.210 nan 0.000 0.488 1083 E N 6.533 126.716 120.200 -0.029 0.000 2.249 1083 E HA 0.395 4.744 4.350 -0.001 0.000 0.280 1083 E C -0.495 176.083 176.600 -0.036 0.000 1.016 1083 E CA -0.604 55.780 56.400 -0.026 0.000 0.830 1083 E CB 1.991 31.678 29.700 -0.021 0.000 1.081 1083 E HN 0.453 nan 8.360 nan 0.000 0.395 1084 L N 3.876 125.083 121.223 -0.028 0.000 2.418 1084 L HA 0.256 4.595 4.340 -0.001 0.000 0.265 1084 L C -1.945 174.908 176.870 -0.028 0.000 1.143 1084 L CA -1.840 52.982 54.840 -0.030 0.000 0.809 1084 L CB 0.264 42.311 42.059 -0.021 0.000 1.124 1084 L HN 0.188 nan 8.230 nan 0.000 0.456 1085 P HA 0.010 nan 4.420 nan 0.000 0.272 1085 P C 0.451 177.742 177.300 -0.015 0.000 1.223 1085 P CA -0.517 62.572 63.100 -0.018 0.000 0.784 1085 P CB 0.705 32.399 31.700 -0.010 0.000 0.923 1086 L N 2.510 123.726 121.223 -0.011 0.000 2.042 1086 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 1086 L C 1.608 178.465 176.870 -0.021 0.000 1.076 1086 L CA 2.067 56.900 54.840 -0.011 0.000 0.749 1086 L CB -1.238 40.821 42.059 -0.001 0.000 0.893 1086 L HN 0.273 nan 8.230 nan 0.000 0.432 1087 N N -0.002 118.688 118.700 -0.016 0.000 2.223 1087 N HA -0.108 4.632 4.740 -0.001 0.000 0.185 1087 N C 1.820 177.303 175.510 -0.045 0.000 1.016 1087 N CA 1.425 54.461 53.050 -0.023 0.000 0.863 1087 N CB -0.406 38.076 38.487 -0.008 0.000 0.983 1087 N HN 0.538 nan 8.380 nan 0.000 0.429 1088 A N 0.760 123.561 122.820 -0.032 0.000 1.902 1088 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 1088 A C 2.251 179.788 177.584 -0.079 0.000 1.181 1088 A CA 1.496 53.508 52.037 -0.042 0.000 0.623 1088 A CB -0.577 18.421 19.000 -0.003 0.000 0.818 1088 A HN 0.239 nan 8.150 nan 0.000 0.443 1089 Q N -0.827 118.929 119.800 -0.074 0.000 2.079 1089 Q HA -0.085 4.254 4.340 -0.001 0.000 0.200 1089 Q C 1.802 177.695 176.000 -0.178 0.000 0.974 1089 Q CA 1.221 56.961 55.803 -0.105 0.000 0.840 1089 Q CB -0.266 28.430 28.738 -0.071 0.000 0.898 1089 Q HN 0.439 nan 8.270 nan 0.000 0.430 1090 L N 0.056 121.191 121.223 -0.147 0.000 2.046 1090 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 1090 L C 2.199 178.939 176.870 -0.217 0.000 1.077 1090 L CA 1.548 56.287 54.840 -0.169 0.000 0.747 1090 L CB -1.127 40.906 42.059 -0.044 0.000 0.896 1090 L HN 0.352 nan 8.230 nan 0.000 0.432 1091 I N -0.833 119.598 120.570 -0.232 0.000 2.226 1091 I HA -0.315 3.854 4.170 -0.001 0.000 0.245 1091 I C 2.676 178.599 176.117 -0.322 0.000 1.100 1091 I CA 1.019 62.077 61.300 -0.404 0.000 1.374 1091 I CB -0.225 37.498 38.000 -0.462 0.000 1.057 1091 I HN 0.238 nan 8.210 nan 0.000 0.413 1092 R N 0.615 120.984 120.500 -0.218 0.000 2.081 1092 R HA -0.141 4.198 4.340 -0.001 0.000 0.235 1092 R C 2.078 178.244 176.300 -0.224 0.000 1.131 1092 R CA 1.796 57.805 56.100 -0.151 0.000 0.960 1092 R CB -0.492 29.743 30.300 -0.108 0.000 0.856 1092 R HN 0.506 nan 8.270 nan 0.000 0.436 1093 N N 0.475 118.927 118.700 -0.412 0.000 2.069 1093 N HA -0.176 4.563 4.740 -0.001 0.000 0.191 1093 N C 1.848 177.044 175.510 -0.524 0.000 1.031 1093 N CA 1.010 53.608 53.050 -0.752 0.000 0.852 1093 N CB -0.143 37.391 38.487 -1.588 0.000 1.018 1093 N HN 0.103 nan 8.380 nan 0.000 0.423 1094 L N 0.712 121.803 121.223 -0.220 0.000 2.042 1094 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 1094 L C 2.420 179.449 176.870 0.265 0.000 1.076 1094 L CA 1.253 56.212 54.840 0.197 0.000 0.749 1094 L CB -0.305 41.959 42.059 0.341 0.000 0.893 1094 L HN 0.280 nan 8.230 nan 0.000 0.432 1095 M N -0.941 118.795 119.600 0.227 0.000 2.175 1095 M HA -0.191 4.288 4.480 -0.001 0.000 0.264 1095 M C 2.266 178.767 176.300 0.335 0.000 1.063 1095 M CA 1.713 57.243 55.300 0.384 0.000 1.119 1095 M CB -0.301 32.389 32.600 0.151 0.000 1.377 1095 M HN 0.189 nan 8.290 nan 0.000 0.415 1096 I N -0.075 120.582 120.570 0.145 0.000 2.179 1096 I HA -0.192 3.977 4.170 -0.001 0.000 0.242 1096 I C 2.635 178.907 176.117 0.258 0.000 1.088 1096 I CA 1.487 62.893 61.300 0.177 0.000 1.357 1096 I CB -0.974 37.055 38.000 0.048 0.000 1.051 1096 I HN 0.352 nan 8.210 nan 0.000 0.409 1097 G N 0.481 109.374 108.800 0.155 0.000 2.446 1097 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.217 1097 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.217 1097 G C 1.861 176.848 174.900 0.146 0.000 1.168 1097 G CA 0.868 46.083 45.100 0.191 0.000 0.771 1097 G HN 0.497 nan 8.290 nan 0.000 0.551 1098 A N 0.194 123.023 122.820 0.014 0.000 1.940 1098 A HA -0.113 4.206 4.320 -0.001 0.000 0.219 1098 A C 2.312 179.893 177.584 -0.004 0.000 1.176 1098 A CA 2.348 54.279 52.037 -0.176 0.000 0.631 1098 A CB -0.419 18.272 19.000 -0.515 0.000 0.814 1098 A HN 0.450 nan 8.150 nan 0.000 0.446 1099 Q N -1.251 118.663 119.800 0.190 0.000 2.046 1099 Q HA -0.153 4.186 4.340 -0.001 0.000 0.200 1099 Q C 1.725 177.832 176.000 0.180 0.000 0.975 1099 Q CA 1.946 57.875 55.803 0.211 0.000 0.836 1099 Q CB -0.661 28.280 28.738 0.338 0.000 0.896 1099 Q HN 0.656 nan 8.270 nan 0.000 0.428 1100 Y N 0.168 120.481 120.300 0.021 0.000 2.081 1100 Y HA -0.244 4.305 4.550 -0.002 0.000 0.280 1100 Y C 2.094 177.936 175.900 -0.097 0.000 1.163 1100 Y CA 1.943 59.956 58.100 -0.144 0.000 1.135 1100 Y CB -0.261 38.156 38.460 -0.072 0.000 0.970 1100 Y HN 0.148 nan 8.280 nan 0.000 0.498 1101 I N -1.429 119.304 120.570 0.272 0.000 2.202 1101 I HA -0.343 3.826 4.170 -0.001 0.000 0.242 1101 I C 2.627 178.987 176.117 0.405 0.000 1.091 1101 I CA 1.598 63.098 61.300 0.334 0.000 1.368 1101 I CB -0.588 37.608 38.000 0.327 0.000 1.058 1101 I HN 0.348 nan 8.210 nan 0.000 0.410 1102 H N 0.794 120.004 119.070 0.233 0.000 2.290 1102 H HA -0.249 4.306 4.556 -0.001 0.000 0.298 1102 H C 1.824 177.279 175.328 0.213 0.000 1.087 1102 H CA 2.300 58.465 56.048 0.197 0.000 1.291 1102 H CB -0.094 29.642 29.762 -0.045 0.000 1.369 1102 H HN 0.294 nan 8.280 nan 0.000 0.492 1103 D N -0.433 120.116 120.400 0.249 0.000 2.117 1103 D HA -0.137 4.502 4.640 -0.001 0.000 0.198 1103 D C 2.117 178.564 176.300 0.245 0.000 0.982 1103 D CA 0.874 54.998 54.000 0.207 0.000 0.828 1103 D CB -0.215 40.653 40.800 0.112 0.000 0.967 1103 D HN 0.430 nan 8.370 nan 0.000 0.464 1104 H N -0.143 119.019 119.070 0.154 0.000 2.353 1104 H HA -0.025 4.530 4.556 -0.001 0.000 0.300 1104 H C 2.364 177.651 175.328 -0.069 0.000 1.090 1104 H CA 0.718 56.852 56.048 0.144 0.000 1.327 1104 H CB -0.535 29.390 29.762 0.270 0.000 1.383 1104 H HN 0.041 nan 8.280 nan 0.000 0.508 1105 V N 0.747 120.631 119.914 -0.050 0.000 2.343 1105 V HA -0.253 3.866 4.120 -0.001 0.000 0.247 1105 V C 2.515 178.559 176.094 -0.084 0.000 1.051 1105 V CA 1.735 63.833 62.300 -0.337 0.000 1.036 1105 V CB -0.447 31.230 31.823 -0.243 0.000 0.654 1105 V HN 0.348 nan 8.190 nan 0.000 0.451 1106 M N -1.249 118.356 119.600 0.009 0.000 2.200 1106 M HA -0.124 4.355 4.480 -0.001 0.000 0.265 1106 M C 2.270 178.589 176.300 0.031 0.000 1.066 1106 M CA 1.533 56.858 55.300 0.042 0.000 1.127 1106 M CB -0.707 31.959 32.600 0.111 0.000 1.379 1106 M HN 0.488 nan 8.290 nan 0.000 0.420 1107 H N 0.161 119.258 119.070 0.046 0.000 2.319 1107 H HA -0.233 4.322 4.556 -0.002 0.000 0.299 1107 H C 2.039 177.383 175.328 0.027 0.000 1.092 1107 H CA 2.183 58.267 56.048 0.060 0.000 1.302 1107 H CB -0.306 29.526 29.762 0.116 0.000 1.373 1107 H HN 0.362 nan 8.280 nan 0.000 0.497 1108 F N 0.649 120.477 119.950 -0.204 0.000 2.069 1108 F HA -0.287 4.239 4.527 -0.002 0.000 0.298 1108 F C 2.039 177.572 175.800 -0.445 0.000 1.113 1108 F CA 1.811 59.624 58.000 -0.312 0.000 1.214 1108 F CB -0.575 38.190 39.000 -0.391 0.000 0.978 1108 F HN 0.102 nan 8.300 nan 0.000 0.474 1109 Y N -0.764 119.319 120.300 -0.362 0.000 2.153 1109 Y HA -0.128 4.421 4.550 -0.001 0.000 0.289 1109 Y C 2.544 178.176 175.900 -0.447 0.000 1.127 1109 Y CA 2.192 59.998 58.100 -0.488 0.000 1.131 1109 Y CB -0.997 37.089 38.460 -0.623 0.000 0.995 1109 Y HN 0.156 nan 8.280 nan 0.000 0.505 1110 H N -1.554 117.449 119.070 -0.111 0.000 2.547 1110 H HA 0.150 4.705 4.556 -0.001 0.000 0.272 1110 H C 1.594 176.892 175.328 -0.050 0.000 0.971 1110 H CA 0.761 56.709 56.048 -0.165 0.000 1.245 1110 H CB 0.261 29.869 29.762 -0.256 0.000 1.440 1110 H HN 0.205 nan 8.280 nan 0.000 0.540 1111 L N -1.142 120.011 121.223 -0.117 0.000 2.445 1111 L HA 0.063 4.402 4.340 -0.001 0.000 0.207 1111 L C 2.002 178.601 176.870 -0.452 0.000 1.053 1111 L CA 0.464 55.149 54.840 -0.258 0.000 0.841 1111 L CB 0.071 41.994 42.059 -0.227 0.000 1.074 1111 L HN 0.286 nan 8.230 nan 0.000 0.479 1112 H N 0.543 119.240 119.070 -0.622 0.000 2.476 1112 H HA 0.240 4.795 4.556 -0.002 0.000 0.292 1112 H C 2.056 177.200 175.328 -0.305 0.000 1.019 1112 H CA 0.803 56.555 56.048 -0.493 0.000 1.330 1112 H CB 0.406 29.908 29.762 -0.434 0.000 1.451 1112 H HN 0.150 nan 8.280 nan 0.000 0.535 1113 A N 0.957 123.599 122.820 -0.297 0.000 1.972 1113 A HA -0.066 4.254 4.320 -0.001 0.000 0.219 1113 A C 2.335 179.909 177.584 -0.017 0.000 1.169 1113 A CA 1.045 52.915 52.037 -0.279 0.000 0.635 1113 A CB -0.860 17.897 19.000 -0.406 0.000 0.810 1113 A HN 0.419 nan 8.150 nan 0.000 0.446 1114 L N -0.257 120.979 121.223 0.022 0.000 2.549 1114 L HA -0.128 4.211 4.340 -0.001 0.000 0.229 1114 L C 1.169 178.083 176.870 0.073 0.000 1.158 1114 L CA 0.603 55.509 54.840 0.110 0.000 0.842 1114 L CB -0.536 41.623 42.059 0.167 0.000 0.952 1114 L HN 0.281 nan 8.230 nan 0.000 0.452 1115 D N -0.757 119.535 120.400 -0.179 0.000 2.269 1115 D HA -0.143 4.496 4.640 -0.001 0.000 0.208 1115 D C 1.551 177.411 176.300 -0.734 0.000 0.963 1115 D CA 1.234 54.898 54.000 -0.560 0.000 0.864 1115 D CB 0.030 40.273 40.800 -0.928 0.000 0.936 1115 D HN 0.450 nan 8.370 nan 0.000 0.505 1116 W N -0.232 121.009 121.300 -0.098 0.000 2.835 1116 W HA 0.247 4.906 4.660 -0.002 0.000 0.278 1116 W C 0.060 176.718 176.519 0.232 0.000 1.075 1116 W CA -0.171 57.068 57.345 -0.176 0.000 1.439 1116 W CB 0.710 29.930 29.460 -0.401 0.000 0.927 1116 W HN -0.372 nan 8.180 nan 0.000 0.604 1117 V N 2.260 122.404 119.914 0.384 0.000 2.417 1117 V HA 0.196 4.315 4.120 -0.001 0.000 0.291 1117 V C -0.662 175.377 176.094 -0.090 0.000 1.024 1117 V CA -0.574 61.812 62.300 0.144 0.000 0.861 1117 V CB 1.454 33.309 31.823 0.054 0.000 0.985 1117 V HN -0.161 nan 8.190 nan 0.000 0.436 1118 D N 4.051 124.225 120.400 -0.376 0.000 2.396 1118 D HA 0.228 4.867 4.640 -0.001 0.000 0.225 1118 D C 0.769 176.732 176.300 -0.562 0.000 1.121 1118 D CA -0.118 53.506 54.000 -0.628 0.000 0.853 1118 D CB 1.997 42.385 40.800 -0.688 0.000 1.043 1118 D HN 0.233 nan 8.370 nan 0.000 0.500 1119 V N 3.887 123.224 119.914 -0.962 0.000 2.515 1119 V HA -0.170 3.949 4.120 -0.001 0.000 0.250 1119 V C 2.338 177.932 176.094 -0.834 0.000 1.058 1119 V CA 0.922 62.597 62.300 -1.043 0.000 1.064 1119 V CB -0.016 30.771 31.823 -1.728 0.000 0.675 1119 V HN 0.506 nan 8.190 nan 0.000 0.461 1120 V N -0.366 119.021 119.914 -0.878 0.000 2.358 1120 V HA -0.217 3.902 4.120 -0.001 0.000 0.246 1120 V C 2.649 178.567 176.094 -0.294 0.000 1.047 1120 V CA 2.187 64.190 62.300 -0.496 0.000 1.035 1120 V CB -0.567 31.045 31.823 -0.352 0.000 0.658 1120 V HN 0.650 nan 8.190 nan 0.000 0.452 1121 S N 0.484 116.023 115.700 -0.269 0.000 2.383 1121 S HA -0.216 4.253 4.470 -0.001 0.000 0.229 1121 S C 2.141 176.626 174.600 -0.192 0.000 1.030 1121 S CA 1.628 59.716 58.200 -0.187 0.000 1.002 1121 S CB -0.372 62.730 63.200 -0.163 0.000 0.829 1121 S HN 0.612 nan 8.310 nan 0.000 0.467 1122 A N 1.567 124.241 122.820 -0.244 0.000 1.986 1122 A HA -0.015 4.304 4.320 -0.001 0.000 0.220 1122 A C 2.123 179.608 177.584 -0.165 0.000 1.171 1122 A CA 1.560 53.471 52.037 -0.209 0.000 0.640 1122 A CB -0.833 18.024 19.000 -0.239 0.000 0.811 1122 A HN 0.637 nan 8.150 nan 0.000 0.451 1123 L N -0.649 120.474 121.223 -0.166 0.000 2.362 1123 L HA -0.080 4.259 4.340 -0.001 0.000 0.219 1123 L C 2.131 178.948 176.870 -0.088 0.000 1.134 1123 L CA 1.068 55.838 54.840 -0.116 0.000 0.807 1123 L CB -0.268 41.724 42.059 -0.111 0.000 0.927 1123 L HN 0.284 nan 8.230 nan 0.000 0.447 1124 S N -0.494 115.149 115.700 -0.094 0.000 2.548 1124 S HA 0.244 4.713 4.470 -0.001 0.000 0.215 1124 S C 1.060 175.618 174.600 -0.070 0.000 0.976 1124 S CA -0.038 58.120 58.200 -0.071 0.000 0.908 1124 S CB 0.104 63.264 63.200 -0.068 0.000 0.781 1124 S HN 0.365 nan 8.310 nan 0.000 0.519 1125 A N 2.033 124.799 122.820 -0.089 0.000 2.483 1125 A HA 0.272 4.592 4.320 -0.001 0.000 0.238 1125 A C -0.016 177.526 177.584 -0.070 0.000 1.070 1125 A CA -0.261 51.719 52.037 -0.095 0.000 0.770 1125 A CB 0.047 18.966 19.000 -0.135 0.000 1.008 1125 A HN 0.270 nan 8.150 nan 0.000 0.497 1126 D N 1.613 121.975 120.400 -0.064 0.000 2.312 1126 D HA 0.369 5.008 4.640 -0.001 0.000 0.252 1126 D C -1.830 174.443 176.300 -0.044 0.000 1.150 1126 D CA -1.690 52.286 54.000 -0.040 0.000 0.870 1126 D CB 1.141 41.923 40.800 -0.031 0.000 1.153 1126 D HN 0.089 nan 8.370 nan 0.000 0.457 1127 P HA -0.093 nan 4.420 nan 0.000 0.217 1127 P C 1.242 178.582 177.300 0.066 0.000 1.150 1127 P CA 0.902 64.031 63.100 0.049 0.000 0.832 1127 P CB 0.172 31.928 31.700 0.093 0.000 0.787 1128 R N 0.034 120.563 120.500 0.048 0.000 2.066 1128 R HA -0.076 4.263 4.340 -0.001 0.000 0.232 1128 R C 2.075 178.386 176.300 0.018 0.000 1.131 1128 R CA 1.661 57.793 56.100 0.053 0.000 0.955 1128 R CB -0.858 29.466 30.300 0.041 0.000 0.851 1128 R HN 0.038 nan 8.270 nan 0.000 0.432 1129 A N -0.079 122.730 122.820 -0.019 0.000 1.972 1129 A HA -0.117 4.202 4.320 -0.001 0.000 0.219 1129 A C 2.094 179.619 177.584 -0.099 0.000 1.169 1129 A CA 1.935 53.947 52.037 -0.042 0.000 0.635 1129 A CB -0.710 18.263 19.000 -0.046 0.000 0.810 1129 A HN 0.465 nan 8.150 nan 0.000 0.446 1130 T N -0.658 113.786 114.554 -0.184 0.000 2.821 1130 T HA -0.118 4.231 4.350 -0.001 0.000 0.267 1130 T C 2.266 176.711 174.700 -0.425 0.000 1.046 1130 T CA 1.615 63.461 62.100 -0.424 0.000 1.139 1130 T CB -0.279 68.151 68.868 -0.731 0.000 0.871 1130 T HN 0.566 nan 8.240 nan 0.000 0.454 1131 S N 0.818 116.451 115.700 -0.111 0.000 2.356 1131 S HA -0.152 4.317 4.470 -0.001 0.000 0.223 1131 S C 2.069 176.741 174.600 0.120 0.000 1.032 1131 S CA 1.036 59.363 58.200 0.212 0.000 1.005 1131 S CB -0.294 63.091 63.200 0.309 0.000 0.867 1131 S HN 0.379 nan 8.310 nan 0.000 0.449 1132 E N 1.216 121.448 120.200 0.052 0.000 2.085 1132 E HA -0.129 4.221 4.350 -0.001 0.000 0.194 1132 E C 2.138 178.758 176.600 0.034 0.000 0.994 1132 E CA 0.964 57.390 56.400 0.043 0.000 0.801 1132 E CB -0.662 29.052 29.700 0.024 0.000 0.743 1132 E HN 0.501 nan 8.360 nan 0.000 0.453 1133 L N 0.508 121.728 121.223 -0.004 0.000 2.005 1133 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 1133 L C 2.382 179.275 176.870 0.037 0.000 1.072 1133 L CA 1.498 56.337 54.840 -0.001 0.000 0.744 1133 L CB -0.464 41.563 42.059 -0.054 0.000 0.895 1133 L HN 0.058 nan 8.230 nan 0.000 0.433 1134 A N -0.563 122.284 122.820 0.046 0.000 1.940 1134 A HA -0.291 4.028 4.320 -0.001 0.000 0.219 1134 A C 2.040 179.735 177.584 0.185 0.000 1.176 1134 A CA 1.907 54.048 52.037 0.175 0.000 0.631 1134 A CB -0.525 18.685 19.000 0.350 0.000 0.814 1134 A HN 0.659 nan 8.150 nan 0.000 0.446 1135 Q N -0.257 119.636 119.800 0.155 0.000 2.311 1135 Q HA -0.070 4.269 4.340 -0.001 0.000 0.203 1135 Q C 2.215 178.266 176.000 0.084 0.000 0.954 1135 Q CA 1.244 57.122 55.803 0.126 0.000 0.885 1135 Q CB -0.090 28.715 28.738 0.111 0.000 0.963 1135 Q HN 0.858 nan 8.270 nan 0.000 0.471 1136 S N 0.288 116.029 115.700 0.068 0.000 2.489 1136 S HA -0.043 4.426 4.470 -0.001 0.000 0.228 1136 S C 1.782 176.409 174.600 0.044 0.000 0.995 1136 S CA 0.491 58.719 58.200 0.046 0.000 0.934 1136 S CB -0.301 62.920 63.200 0.036 0.000 0.771 1136 S HN 0.545 nan 8.310 nan 0.000 0.522 1137 I N -2.252 118.354 120.570 0.060 0.000 4.070 1137 I HA 0.474 4.643 4.170 -0.001 0.000 0.328 1137 I C 0.368 176.513 176.117 0.046 0.000 1.298 1137 I CA -0.404 60.924 61.300 0.048 0.000 1.173 1137 I CB 0.602 38.631 38.000 0.048 0.000 1.051 1137 I HN 0.254 nan 8.210 nan 0.000 0.409 1138 S N -0.011 115.734 115.700 0.075 0.000 2.565 1138 S HA 0.712 5.181 4.470 -0.001 0.000 0.269 1138 S C 0.097 174.761 174.600 0.107 0.000 1.153 1138 S CA -0.028 58.220 58.200 0.079 0.000 0.835 1138 S CB 1.750 65.004 63.200 0.091 0.000 1.122 1138 S HN 0.240 nan 8.310 nan 0.000 0.462 1139 A N 2.167 125.047 122.820 0.099 0.000 2.275 1139 A HA 0.251 4.570 4.320 -0.001 0.000 0.212 1139 A C 0.702 178.367 177.584 0.135 0.000 1.201 1139 A CA -0.446 51.645 52.037 0.089 0.000 0.843 1139 A CB -0.324 18.709 19.000 0.055 0.000 0.873 1139 A HN 0.816 nan 8.150 nan 0.000 0.492 1140 W N 1.624 122.894 121.300 -0.050 0.000 2.409 1140 W HA 0.015 4.674 4.660 -0.001 0.000 0.338 1140 W C -2.227 174.259 176.519 -0.055 0.000 1.273 1140 W CA -0.907 56.391 57.345 -0.079 0.000 1.299 1140 W CB 0.606 29.986 29.460 -0.134 0.000 1.192 1140 W HN 0.152 nan 8.180 nan 0.000 0.565 1141 P HA -0.096 nan 4.420 nan 0.000 0.219 1141 P C -0.280 176.691 177.300 -0.548 0.000 1.150 1141 P CA 1.712 64.507 63.100 -0.508 0.000 0.814 1141 P CB 0.138 31.502 31.700 -0.560 0.000 0.787 1142 K N 0.404 120.258 120.400 -0.910 0.000 2.150 1142 K HA 0.232 4.551 4.320 -0.001 0.000 0.261 1142 K C 0.341 176.663 176.600 -0.463 0.000 1.127 1142 K CA 0.172 55.993 56.287 -0.777 0.000 0.989 1142 K CB -0.148 31.815 32.500 -0.895 0.000 1.475 1142 K HN 0.076 nan 8.250 nan 0.000 0.391 1143 S N -0.984 114.549 115.700 -0.277 0.000 2.904 1143 S HA -0.015 4.454 4.470 -0.001 0.000 0.260 1143 S C 0.408 175.099 174.600 0.152 0.000 1.000 1143 S CA -0.677 57.581 58.200 0.097 0.000 1.274 1143 S CB 0.072 63.423 63.200 0.251 0.000 1.196 1143 S HN 0.346 nan 8.310 nan 0.000 0.678 1144 S N 1.871 117.560 115.700 -0.018 0.000 2.579 1144 S HA 0.423 4.892 4.470 -0.001 0.000 0.275 1144 S C -1.728 173.000 174.600 0.212 0.000 1.345 1144 S CA -0.614 57.637 58.200 0.085 0.000 1.031 1144 S CB 0.619 63.830 63.200 0.019 0.000 0.892 1144 S HN 0.040 nan 8.310 nan 0.000 0.529 1145 P HA 0.038 nan 4.420 nan 0.000 0.216 1145 P C 1.760 179.170 177.300 0.183 0.000 1.153 1145 P CA 1.581 64.831 63.100 0.249 0.000 0.848 1145 P CB -0.478 31.312 31.700 0.152 0.000 0.787 1146 G N -1.122 107.749 108.800 0.119 0.000 2.442 1146 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.219 1146 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.219 1146 G C 1.590 176.542 174.900 0.087 0.000 1.141 1146 G CA 0.671 45.822 45.100 0.085 0.000 0.763 1146 G HN 0.242 nan 8.290 nan 0.000 0.554 1147 Y N 0.807 121.058 120.300 -0.082 0.000 2.145 1147 Y HA -0.021 4.528 4.550 -0.001 0.000 0.286 1147 Y C 2.381 178.177 175.900 -0.173 0.000 1.145 1147 Y CA 1.383 59.378 58.100 -0.174 0.000 1.148 1147 Y CB -0.464 37.804 38.460 -0.321 0.000 0.981 1147 Y HN 0.190 nan 8.280 nan 0.000 0.507 1148 F N 0.183 120.072 119.950 -0.102 0.000 2.161 1148 F HA -0.213 4.313 4.527 -0.001 0.000 0.300 1148 F C 2.629 178.339 175.800 -0.151 0.000 1.089 1148 F CA 1.103 58.987 58.000 -0.194 0.000 1.282 1148 F CB -0.717 38.260 39.000 -0.038 0.000 1.010 1148 F HN 0.201 nan 8.300 nan 0.000 0.485 1149 A N -0.041 122.835 122.820 0.094 0.000 1.898 1149 A HA -0.169 4.150 4.320 -0.001 0.000 0.216 1149 A C 1.822 179.400 177.584 -0.010 0.000 1.181 1149 A CA 1.937 53.998 52.037 0.041 0.000 0.620 1149 A CB -0.677 18.351 19.000 0.047 0.000 0.819 1149 A HN 0.248 nan 8.150 nan 0.000 0.442 1150 D N -0.529 119.848 120.400 -0.039 0.000 2.144 1150 D HA -0.071 4.568 4.640 -0.001 0.000 0.200 1150 D C 1.993 178.237 176.300 -0.093 0.000 0.978 1150 D CA 1.751 55.721 54.000 -0.051 0.000 0.833 1150 D CB -0.695 40.090 40.800 -0.025 0.000 0.961 1150 D HN 0.383 nan 8.370 nan 0.000 0.470 1151 T N 0.742 115.180 114.554 -0.194 0.000 2.708 1151 T HA -0.194 4.156 4.350 -0.001 0.000 0.266 1151 T C 1.881 176.525 174.700 -0.092 0.000 1.037 1151 T CA 1.313 63.303 62.100 -0.184 0.000 1.146 1151 T CB -0.247 68.432 68.868 -0.315 0.000 0.865 1151 T HN 0.216 nan 8.240 nan 0.000 0.435 1152 Q N 0.971 120.733 119.800 -0.064 0.000 2.096 1152 Q HA -0.237 4.102 4.340 -0.001 0.000 0.204 1152 Q C 2.251 178.231 176.000 -0.034 0.000 0.982 1152 Q CA 1.931 57.706 55.803 -0.047 0.000 0.850 1152 Q CB -0.130 28.590 28.738 -0.031 0.000 0.901 1152 Q HN 0.424 nan 8.270 nan 0.000 0.422 1153 K N 0.165 120.550 120.400 -0.024 0.000 2.097 1153 K HA -0.147 4.172 4.320 -0.001 0.000 0.206 1153 K C 2.032 178.634 176.600 0.004 0.000 1.049 1153 K CA 1.380 57.662 56.287 -0.009 0.000 0.933 1153 K CB -0.031 32.467 32.500 -0.005 0.000 0.717 1153 K HN 0.145 nan 8.250 nan 0.000 0.442 1154 R N 0.021 120.517 120.500 -0.006 0.000 2.081 1154 R HA -0.038 4.302 4.340 -0.001 0.000 0.235 1154 R C 2.294 178.614 176.300 0.033 0.000 1.131 1154 R CA 1.793 57.899 56.100 0.010 0.000 0.960 1154 R CB -0.347 29.944 30.300 -0.016 0.000 0.856 1154 R HN 0.270 nan 8.270 nan 0.000 0.436 1155 I N 0.604 121.175 120.570 0.002 0.000 2.353 1155 I HA -0.236 3.933 4.170 -0.001 0.000 0.248 1155 I C 2.504 178.676 176.117 0.093 0.000 1.119 1155 I CA 1.072 62.388 61.300 0.026 0.000 1.417 1155 I CB -0.164 37.814 38.000 -0.037 0.000 1.078 1155 I HN 0.083 nan 8.210 nan 0.000 0.421 1156 K N 0.765 121.187 120.400 0.036 0.000 2.026 1156 K HA -0.179 4.140 4.320 -0.001 0.000 0.208 1156 K C 2.063 178.699 176.600 0.060 0.000 1.048 1156 K CA 1.972 58.278 56.287 0.032 0.000 0.929 1156 K CB -0.136 32.365 32.500 0.002 0.000 0.713 1156 K HN 0.182 nan 8.250 nan 0.000 0.439 1157 T N 0.708 115.303 114.554 0.068 0.000 2.720 1157 T HA -0.171 4.178 4.350 -0.001 0.000 0.268 1157 T C 1.373 176.135 174.700 0.103 0.000 1.037 1157 T CA 1.531 63.672 62.100 0.067 0.000 1.144 1157 T CB -0.393 68.513 68.868 0.063 0.000 0.864 1157 T HN 0.309 nan 8.240 nan 0.000 0.444 1158 F N 1.464 121.404 119.950 -0.017 0.000 2.069 1158 F HA -0.148 4.378 4.527 -0.001 0.000 0.298 1158 F C 2.287 178.085 175.800 -0.004 0.000 1.113 1158 F CA 1.095 59.084 58.000 -0.017 0.000 1.214 1158 F CB -0.366 38.619 39.000 -0.024 0.000 0.978 1158 F HN -0.104 nan 8.300 nan 0.000 0.474 1159 V N 0.122 120.147 119.914 0.185 0.000 2.515 1159 V HA -0.248 3.872 4.120 -0.001 0.000 0.250 1159 V C 1.987 178.062 176.094 -0.030 0.000 1.058 1159 V CA 2.127 64.470 62.300 0.073 0.000 1.064 1159 V CB -0.545 31.336 31.823 0.096 0.000 0.675 1159 V HN 0.348 nan 8.190 nan 0.000 0.461 1160 E N 0.313 120.503 120.200 -0.016 0.000 2.358 1160 E HA -0.108 4.242 4.350 -0.001 0.000 0.195 1160 E C 2.186 178.752 176.600 -0.057 0.000 1.010 1160 E CA 0.988 57.371 56.400 -0.028 0.000 0.856 1160 E CB -0.079 29.614 29.700 -0.010 0.000 0.795 1160 E HN 0.742 nan 8.360 nan 0.000 0.504 1161 S N -0.445 115.194 115.700 -0.101 0.000 2.507 1161 S HA -0.043 4.426 4.470 -0.001 0.000 0.235 1161 S C 1.839 176.365 174.600 -0.124 0.000 0.988 1161 S CA 0.638 58.767 58.200 -0.118 0.000 0.944 1161 S CB -0.217 62.875 63.200 -0.179 0.000 0.762 1161 S HN 0.374 nan 8.310 nan 0.000 0.526 1162 G N 0.503 109.227 108.800 -0.128 0.000 2.189 1162 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.267 1162 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.267 1162 G C -0.072 174.743 174.900 -0.141 0.000 0.975 1162 G CA 0.487 45.525 45.100 -0.103 0.000 0.644 1162 G HN 0.647 nan 8.290 nan 0.000 0.537 1163 Q N -0.452 119.198 119.800 -0.249 0.000 2.509 1163 Q HA 0.595 4.934 4.340 -0.001 0.000 0.236 1163 Q C 0.938 176.658 176.000 -0.466 0.000 1.073 1163 Q CA -0.684 54.959 55.803 -0.266 0.000 0.867 1163 Q CB 0.949 29.548 28.738 -0.232 0.000 1.181 1163 Q HN 0.225 nan 8.270 nan 0.000 0.526 1164 L N 1.400 122.481 121.223 -0.237 0.000 2.554 1164 L HA 0.084 4.423 4.340 -0.001 0.000 0.226 1164 L C 1.335 178.249 176.870 0.075 0.000 1.137 1164 L CA 1.151 55.918 54.840 -0.121 0.000 0.863 1164 L CB -0.495 41.645 42.059 0.135 0.000 0.985 1164 L HN 0.892 nan 8.230 nan 0.000 0.451 1165 G N 1.251 110.063 108.800 0.021 0.000 2.622 1165 G HA2 -0.423 3.536 3.960 -0.001 0.000 0.307 1165 G HA3 -0.423 3.536 3.960 -0.001 0.000 0.307 1165 G C 1.071 176.036 174.900 0.109 0.000 1.226 1165 G CA 0.576 45.733 45.100 0.095 0.000 0.997 1165 G HN 0.471 nan 8.290 nan 0.000 0.551 1166 I N -2.129 118.472 120.570 0.052 0.000 3.176 1166 I HA 0.290 4.459 4.170 -0.001 0.000 0.275 1166 I C 1.975 178.276 176.117 0.307 0.000 1.298 1166 I CA 1.276 62.631 61.300 0.092 0.000 1.445 1166 I CB -0.302 37.716 38.000 0.029 0.000 1.075 1166 I HN 0.182 nan 8.210 nan 0.000 0.482 1167 F N 2.402 122.514 119.950 0.270 0.000 2.776 1167 F HA 0.460 4.986 4.527 -0.001 0.000 0.300 1167 F C 1.824 177.847 175.800 0.370 0.000 1.116 1167 F CA -1.027 57.217 58.000 0.407 0.000 1.375 1167 F CB -1.007 38.217 39.000 0.374 0.000 1.109 1167 F HN 0.018 nan 8.300 nan 0.000 0.585 1168 A N 0.502 123.544 122.820 0.371 0.000 2.498 1168 A HA 0.163 4.482 4.320 -0.001 0.000 0.239 1168 A C 0.971 178.638 177.584 0.138 0.000 1.068 1168 A CA 0.277 52.452 52.037 0.230 0.000 0.766 1168 A CB -0.689 18.389 19.000 0.130 0.000 1.003 1168 A HN 0.658 nan 8.150 nan 0.000 0.497 1169 N N -0.149 118.618 118.700 0.111 0.000 2.708 1169 N HA -0.196 4.543 4.740 -0.001 0.000 0.251 1169 N C 0.637 176.068 175.510 -0.133 0.000 1.123 1169 N CA 0.303 53.374 53.050 0.036 0.000 0.739 1169 N CB -1.251 37.261 38.487 0.041 0.000 1.113 1169 N HN 1.053 nan 8.380 nan 0.000 0.561 1170 G N -0.736 107.891 108.800 -0.287 0.000 2.621 1170 G HA2 0.257 4.216 3.960 -0.001 0.000 0.271 1170 G HA3 0.257 4.216 3.960 -0.001 0.000 0.271 1170 G C 0.010 174.340 174.900 -0.948 0.000 1.236 1170 G CA -0.277 44.219 45.100 -1.006 0.000 0.958 1170 G HN 0.284 nan 8.290 nan 0.000 0.512 1171 Y N -1.157 118.586 120.300 -0.929 0.000 2.532 1171 Y HA 0.217 4.767 4.550 -0.001 0.000 0.283 1171 Y C 0.587 176.440 175.900 -0.078 0.000 1.181 1171 Y CA -2.106 55.785 58.100 -0.350 0.000 1.256 1171 Y CB -0.983 37.331 38.460 -0.243 0.000 1.112 1171 Y HN 0.412 nan 8.280 nan 0.000 0.521 1172 W N 0.575 122.007 121.300 0.220 0.000 2.391 1172 W HA 0.297 4.956 4.660 -0.001 0.000 0.339 1172 W C 1.429 178.038 176.519 0.150 0.000 1.252 1172 W CA 0.873 58.244 57.345 0.044 0.000 1.304 1172 W CB 0.295 29.702 29.460 -0.088 0.000 1.179 1172 W HN 0.425 nan 8.180 nan 0.000 0.567 1173 G N 0.026 109.043 108.800 0.361 0.000 2.176 1173 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.253 1173 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.253 1173 G C 0.345 175.440 174.900 0.325 0.000 0.979 1173 G CA -0.036 45.229 45.100 0.276 0.000 0.641 1173 G HN 0.780 nan 8.290 nan 0.000 0.530 1174 H N 2.469 121.751 119.070 0.353 0.000 2.897 1174 H HA 0.171 4.726 4.556 -0.001 0.000 0.347 1174 H C -0.705 174.741 175.328 0.196 0.000 1.068 1174 H CA -0.074 56.095 56.048 0.203 0.000 1.426 1174 H CB 1.484 31.301 29.762 0.092 0.000 1.410 1174 H HN 0.162 nan 8.280 nan 0.000 0.597 1175 P HA -0.074 nan 4.420 nan 0.000 0.226 1175 P C 0.940 178.409 177.300 0.283 0.000 1.153 1175 P CA 1.136 64.319 63.100 0.138 0.000 0.777 1175 P CB 0.018 31.717 31.700 -0.002 0.000 0.794 1176 A N -1.098 122.010 122.820 0.479 0.000 2.067 1176 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 1176 A C 0.843 178.572 177.584 0.242 0.000 1.158 1176 A CA 0.424 52.631 52.037 0.283 0.000 0.661 1176 A CB -1.378 17.623 19.000 0.002 0.000 0.801 1176 A HN 0.181 nan 8.150 nan 0.000 0.452 1177 Y N -0.187 120.287 120.300 0.291 0.000 2.393 1177 Y HA 0.292 4.841 4.550 -0.001 0.000 0.338 1177 Y C 1.456 177.488 175.900 0.220 0.000 1.029 1177 Y CA -0.229 58.032 58.100 0.269 0.000 1.239 1177 Y CB 0.757 39.335 38.460 0.197 0.000 1.170 1177 Y HN 0.154 nan 8.280 nan 0.000 0.515 1178 R N 2.072 122.796 120.500 0.372 0.000 2.453 1178 R HA 0.229 4.569 4.340 -0.001 0.000 0.233 1178 R C -0.337 175.894 176.300 -0.115 0.000 0.895 1178 R CA -0.285 55.873 56.100 0.096 0.000 1.028 1178 R CB 0.468 30.747 30.300 -0.035 0.000 1.255 1178 R HN 0.547 nan 8.270 nan 0.000 0.571 1179 L N 4.392 125.512 121.223 -0.171 0.000 2.485 1179 L HA 0.123 4.462 4.340 -0.001 0.000 0.275 1179 L C -1.798 174.870 176.870 -0.336 0.000 1.207 1179 L CA -1.570 52.975 54.840 -0.492 0.000 0.855 1179 L CB -0.156 41.732 42.059 -0.286 0.000 1.114 1179 L HN -0.155 nan 8.230 nan 0.000 0.485 1180 P HA 0.124 nan 4.420 nan 0.000 0.272 1180 P C -2.289 174.903 177.300 -0.181 0.000 1.223 1180 P CA -1.488 61.487 63.100 -0.208 0.000 0.784 1180 P CB 0.223 31.825 31.700 -0.164 0.000 0.923 1181 P HA -0.237 nan 4.420 nan 0.000 0.217 1181 P C 1.338 178.538 177.300 -0.166 0.000 1.158 1181 P CA 1.803 64.819 63.100 -0.141 0.000 0.887 1181 P CB -0.026 31.608 31.700 -0.110 0.000 0.792 1182 E N -0.656 119.446 120.200 -0.164 0.000 2.058 1182 E HA -0.172 4.177 4.350 -0.001 0.000 0.194 1182 E C 2.143 178.604 176.600 -0.231 0.000 0.997 1182 E CA 1.752 58.029 56.400 -0.204 0.000 0.801 1182 E CB -1.241 28.360 29.700 -0.167 0.000 0.746 1182 E HN 0.189 nan 8.360 nan 0.000 0.450 1183 A N 0.991 123.691 122.820 -0.200 0.000 1.930 1183 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 1183 A C 1.854 179.342 177.584 -0.160 0.000 1.175 1183 A CA 1.373 53.302 52.037 -0.179 0.000 0.627 1183 A CB -0.419 18.451 19.000 -0.217 0.000 0.815 1183 A HN 0.146 nan 8.150 nan 0.000 0.443 1184 N N -0.103 118.494 118.700 -0.171 0.000 2.120 1184 N HA -0.142 4.598 4.740 -0.001 0.000 0.188 1184 N C 1.621 177.031 175.510 -0.168 0.000 1.024 1184 N CA 1.530 54.485 53.050 -0.158 0.000 0.852 1184 N CB -0.476 37.896 38.487 -0.191 0.000 1.003 1184 N HN 0.416 nan 8.380 nan 0.000 0.424 1185 L N 1.287 122.392 121.223 -0.196 0.000 2.093 1185 L HA 0.014 4.353 4.340 -0.001 0.000 0.208 1185 L C 2.290 179.059 176.870 -0.169 0.000 1.085 1185 L CA 1.266 55.998 54.840 -0.181 0.000 0.755 1185 L CB -0.618 41.321 42.059 -0.200 0.000 0.904 1185 L HN 0.134 nan 8.230 nan 0.000 0.435 1186 M N -1.115 118.315 119.600 -0.283 0.000 2.086 1186 M HA -0.184 4.295 4.480 -0.001 0.000 0.261 1186 M C 2.152 178.275 176.300 -0.294 0.000 1.067 1186 M CA 2.075 57.185 55.300 -0.317 0.000 1.116 1186 M CB -0.176 32.220 32.600 -0.340 0.000 1.348 1186 M HN 0.325 nan 8.290 nan 0.000 0.407 1187 A N -0.373 122.377 122.820 -0.117 0.000 1.902 1187 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 1187 A C 2.053 179.727 177.584 0.150 0.000 1.181 1187 A CA 1.813 53.902 52.037 0.087 0.000 0.623 1187 A CB -1.137 17.935 19.000 0.119 0.000 0.818 1187 A HN 0.432 nan 8.150 nan 0.000 0.443 1188 V N -0.143 119.789 119.914 0.029 0.000 2.295 1188 V HA -0.272 3.847 4.120 -0.001 0.000 0.246 1188 V C 3.074 179.247 176.094 0.131 0.000 1.049 1188 V CA 1.997 64.307 62.300 0.017 0.000 1.024 1188 V CB -1.188 30.569 31.823 -0.110 0.000 0.648 1188 V HN 0.627 nan 8.190 nan 0.000 0.447 1189 A N -0.914 121.984 122.820 0.130 0.000 1.908 1189 A HA -0.267 4.052 4.320 -0.001 0.000 0.218 1189 A C 2.055 179.873 177.584 0.390 0.000 1.181 1189 A CA 2.078 54.254 52.037 0.232 0.000 0.627 1189 A CB -0.746 18.461 19.000 0.345 0.000 0.818 1189 A HN 0.673 nan 8.150 nan 0.000 0.445 1190 H N -2.418 116.791 119.070 0.231 0.000 2.423 1190 H HA -0.100 4.456 4.556 -0.001 0.000 0.297 1190 H C 1.794 177.032 175.328 -0.151 0.000 1.075 1190 H CA 1.153 57.206 56.048 0.008 0.000 1.342 1190 H CB -0.847 28.858 29.762 -0.094 0.000 1.395 1190 H HN 0.740 nan 8.280 nan 0.000 0.530 1191 Y N 1.169 121.499 120.300 0.050 0.000 2.151 1191 Y HA -0.259 4.290 4.550 -0.001 0.000 0.284 1191 Y C 2.221 178.256 175.900 0.226 0.000 1.166 1191 Y CA 1.449 59.624 58.100 0.125 0.000 1.163 1191 Y CB -0.378 38.225 38.460 0.237 0.000 0.974 1191 Y HN 0.066 nan 8.280 nan 0.000 0.511 1192 L N -0.227 121.278 121.223 0.470 0.000 2.072 1192 L HA -0.148 4.191 4.340 -0.001 0.000 0.205 1192 L C 2.445 179.475 176.870 0.266 0.000 1.079 1192 L CA 0.983 56.031 54.840 0.347 0.000 0.752 1192 L CB -0.489 41.733 42.059 0.272 0.000 0.906 1192 L HN 0.205 nan 8.230 nan 0.000 0.436 1193 E N 0.460 120.847 120.200 0.311 0.000 2.110 1193 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 1193 E C 2.283 179.017 176.600 0.223 0.000 0.988 1193 E CA 1.344 57.950 56.400 0.345 0.000 0.804 1193 E CB -0.224 29.777 29.700 0.501 0.000 0.745 1193 E HN 0.461 nan 8.360 nan 0.000 0.458 1194 A N 1.149 124.042 122.820 0.121 0.000 1.972 1194 A HA -0.122 4.197 4.320 -0.001 0.000 0.219 1194 A C 2.361 180.028 177.584 0.138 0.000 1.169 1194 A CA 0.935 52.942 52.037 -0.051 0.000 0.635 1194 A CB -0.607 18.260 19.000 -0.222 0.000 0.810 1194 A HN 0.164 nan 8.150 nan 0.000 0.446 1195 L N -0.962 120.346 121.223 0.142 0.000 2.056 1195 L HA -0.154 4.185 4.340 -0.001 0.000 0.207 1195 L C 3.075 179.956 176.870 0.018 0.000 1.078 1195 L CA 1.035 55.867 54.840 -0.013 0.000 0.749 1195 L CB -0.503 41.482 42.059 -0.124 0.000 0.901 1195 L HN 0.414 nan 8.230 nan 0.000 0.433 1196 A N -0.617 122.245 122.820 0.071 0.000 1.898 1196 A HA -0.264 4.055 4.320 -0.001 0.000 0.216 1196 A C 2.023 179.634 177.584 0.045 0.000 1.181 1196 A CA 1.423 53.499 52.037 0.066 0.000 0.620 1196 A CB -1.032 18.038 19.000 0.118 0.000 0.819 1196 A HN 0.638 nan 8.150 nan 0.000 0.442 1197 W N 1.674 122.867 121.300 -0.177 0.000 2.363 1197 W HA -0.269 4.390 4.660 -0.001 0.000 0.296 1197 W C 2.292 178.671 176.519 -0.235 0.000 1.212 1197 W CA 2.223 59.391 57.345 -0.294 0.000 1.260 1197 W CB -0.167 28.780 29.460 -0.855 0.000 1.131 1197 W HN 0.545 nan 8.180 nan 0.000 0.530 1198 Q N 1.312 120.991 119.800 -0.202 0.000 2.119 1198 Q HA -0.226 4.113 4.340 -0.001 0.000 0.201 1198 Q C 2.025 177.886 176.000 -0.232 0.000 0.972 1198 Q CA 2.473 58.045 55.803 -0.384 0.000 0.847 1198 Q CB -1.171 27.476 28.738 -0.152 0.000 0.903 1198 Q HN 0.571 nan 8.270 nan 0.000 0.433 1199 R N -0.324 120.089 120.500 -0.146 0.000 2.153 1199 R HA 0.068 4.407 4.340 -0.001 0.000 0.218 1199 R C 0.922 177.136 176.300 -0.143 0.000 1.072 1199 R CA 1.256 57.300 56.100 -0.094 0.000 0.990 1199 R CB -0.236 30.032 30.300 -0.053 0.000 0.889 1199 R HN 0.198 nan 8.270 nan 0.000 0.452 1200 D N 0.889 121.165 120.400 -0.206 0.000 2.097 1200 D HA -0.074 4.565 4.640 -0.001 0.000 0.197 1200 D C 1.468 177.605 176.300 -0.273 0.000 0.984 1200 D CA 1.903 55.778 54.000 -0.208 0.000 0.826 1200 D CB -0.041 40.646 40.800 -0.188 0.000 0.973 1200 D HN 0.145 nan 8.370 nan 0.000 0.460 1201 T N -0.052 114.194 114.554 -0.513 0.000 2.737 1201 T HA -0.212 4.137 4.350 -0.001 0.000 0.269 1201 T C 1.894 176.435 174.700 -0.264 0.000 1.040 1201 T CA 1.330 63.133 62.100 -0.495 0.000 1.142 1201 T CB -0.410 67.854 68.868 -1.007 0.000 0.861 1201 T HN 0.202 nan 8.240 nan 0.000 0.456 1202 A N 1.423 124.095 122.820 -0.246 0.000 2.076 1202 A HA -0.117 4.202 4.320 -0.001 0.000 0.220 1202 A C 2.164 179.697 177.584 -0.085 0.000 1.160 1202 A CA 1.343 53.241 52.037 -0.230 0.000 0.653 1202 A CB -0.449 18.428 19.000 -0.206 0.000 0.801 1202 A HN 0.492 nan 8.150 nan 0.000 0.455 1203 K N -1.626 118.740 120.400 -0.057 0.000 2.280 1203 K HA -0.114 4.205 4.320 -0.001 0.000 0.202 1203 K C 1.540 178.167 176.600 0.045 0.000 1.047 1203 K CA 1.249 57.526 56.287 -0.017 0.000 0.942 1203 K CB -0.293 32.185 32.500 -0.037 0.000 0.739 1203 K HN 0.576 nan 8.250 nan 0.000 0.457 1204 F N 1.399 121.314 119.950 -0.058 0.000 2.075 1204 F HA -0.225 4.301 4.527 -0.001 0.000 0.297 1204 F C 2.086 178.014 175.800 0.213 0.000 1.113 1204 F CA 1.686 59.718 58.000 0.053 0.000 1.218 1204 F CB -0.165 38.866 39.000 0.052 0.000 0.984 1204 F HN 0.147 nan 8.300 nan 0.000 0.472 1205 H N -1.056 118.215 119.070 0.336 0.000 2.457 1205 H HA -0.110 4.445 4.556 -0.002 0.000 0.297 1205 H C 2.213 177.575 175.328 0.056 0.000 1.092 1205 H CA 0.421 56.595 56.048 0.210 0.000 1.309 1205 H CB -0.106 29.736 29.762 0.134 0.000 1.382 1205 H HN 0.401 nan 8.280 nan 0.000 0.535 1206 A N 0.887 123.780 122.820 0.122 0.000 1.968 1206 A HA -0.074 4.245 4.320 -0.001 0.000 0.217 1206 A C 2.328 179.868 177.584 -0.073 0.000 1.169 1206 A CA 0.713 52.758 52.037 0.013 0.000 0.638 1206 A CB -0.401 18.592 19.000 -0.011 0.000 0.812 1206 A HN 0.272 nan 8.150 nan 0.000 0.446 1207 I N -1.856 118.616 120.570 -0.162 0.000 2.179 1207 I HA -0.241 3.928 4.170 -0.001 0.000 0.242 1207 I C 2.085 177.970 176.117 -0.388 0.000 1.088 1207 I CA 1.475 62.561 61.300 -0.356 0.000 1.357 1207 I CB -0.283 37.363 38.000 -0.590 0.000 1.051 1207 I HN 0.299 nan 8.210 nan 0.000 0.409 1208 F N -0.140 119.710 119.950 -0.168 0.000 2.446 1208 F HA 0.152 4.679 4.527 -0.001 0.000 0.292 1208 F C 2.237 177.916 175.800 -0.201 0.000 1.096 1208 F CA 0.863 58.758 58.000 -0.176 0.000 1.438 1208 F CB -0.425 38.471 39.000 -0.174 0.000 1.107 1208 F HN -0.046 nan 8.300 nan 0.000 0.546 1209 G N -1.897 106.894 108.800 -0.014 0.000 3.228 1209 G HA2 0.404 4.363 3.960 -0.001 0.000 0.245 1209 G HA3 0.404 4.363 3.960 -0.001 0.000 0.245 1209 G C 1.454 176.283 174.900 -0.118 0.000 1.051 1209 G CA 0.357 45.353 45.100 -0.174 0.000 0.809 1209 G HN 0.529 nan 8.290 nan 0.000 0.531 1210 G N 0.439 109.199 108.800 -0.066 0.000 2.299 1210 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.237 1210 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.237 1210 G C 0.317 175.208 174.900 -0.014 0.000 1.027 1210 G CA 0.793 45.866 45.100 -0.045 0.000 0.619 1210 G HN 1.274 nan 8.290 nan 0.000 0.513 1211 K N -1.153 119.252 120.400 0.009 0.000 2.625 1211 K HA 0.578 4.898 4.320 -0.001 0.000 0.284 1211 K C -1.464 175.177 176.600 0.067 0.000 0.984 1211 K CA -0.647 55.660 56.287 0.034 0.000 0.865 1211 K CB 1.122 33.649 32.500 0.045 0.000 1.468 1211 K HN 0.442 nan 8.250 nan 0.000 0.407 1212 N N 0.951 119.683 118.700 0.054 0.000 2.455 1212 N HA 0.436 5.175 4.740 -0.001 0.000 0.285 1212 N C -2.857 172.651 175.510 -0.004 0.000 1.080 1212 N CA -0.926 52.159 53.050 0.059 0.000 0.932 1212 N CB 1.853 40.376 38.487 0.060 0.000 1.610 1212 N HN 0.527 nan 8.380 nan 0.000 0.493 1213 P HA 0.264 nan 4.420 nan 0.000 0.273 1213 P C -1.064 176.267 177.300 0.051 0.000 1.250 1213 P CA 0.278 63.335 63.100 -0.071 0.000 0.793 1213 P CB 0.215 31.744 31.700 -0.286 0.000 1.011 1214 H N -2.629 116.536 119.070 0.158 0.000 2.904 1214 H HA -0.099 4.456 4.556 -0.002 0.000 0.333 1214 H C -2.049 173.388 175.328 0.182 0.000 1.271 1214 H CA -0.751 55.417 56.048 0.199 0.000 1.183 1214 H CB -1.417 28.446 29.762 0.168 0.000 1.519 1214 H HN 0.417 nan 8.280 nan 0.000 0.441 1215 P HA -0.025 nan 4.420 nan 0.000 0.271 1215 P C -0.039 177.184 177.300 -0.128 0.000 1.244 1215 P CA 0.008 63.096 63.100 -0.020 0.000 0.793 1215 P CB 0.873 32.436 31.700 -0.228 0.000 0.984 1216 N N -0.526 117.960 118.700 -0.357 0.000 2.508 1216 N HA 0.512 5.251 4.740 -0.001 0.000 0.285 1216 N C -0.679 174.049 175.510 -1.303 0.000 1.144 1216 N CA -0.130 52.620 53.050 -0.501 0.000 0.978 1216 N CB 0.357 38.761 38.487 -0.137 0.000 1.180 1216 N HN 0.328 nan 8.380 nan 0.000 0.484 1217 F N -0.309 118.866 119.950 -1.291 0.000 2.629 1217 F HA 0.636 5.163 4.527 -0.001 0.000 0.316 1217 F C -0.315 174.910 175.800 -0.960 0.000 1.081 1217 F CA -0.966 56.411 58.000 -1.038 0.000 0.954 1217 F CB 1.408 39.791 39.000 -1.028 0.000 1.337 1217 F HN 0.101 nan 8.300 nan 0.000 0.474 1218 V N -0.979 118.784 119.914 -0.252 0.000 3.007 1218 V HA 0.680 4.799 4.120 -0.001 0.000 0.311 1218 V C -0.869 175.359 176.094 0.222 0.000 1.120 1218 V CA -1.178 61.136 62.300 0.022 0.000 0.980 1218 V CB 1.312 33.173 31.823 0.064 0.000 1.033 1218 V HN 0.512 nan 8.190 nan 0.000 0.429 1219 V N 3.254 123.444 119.914 0.461 0.000 2.521 1219 V HA 0.545 4.665 4.120 -0.001 0.000 0.286 1219 V C 1.526 177.898 176.094 0.464 0.000 1.034 1219 V CA 1.737 64.287 62.300 0.418 0.000 1.045 1219 V CB 0.083 32.180 31.823 0.457 0.000 0.974 1219 V HN 1.803 nan 8.190 nan 0.000 0.480 1220 G N 3.248 112.184 108.800 0.227 0.000 2.179 1220 G HA2 0.095 4.055 3.960 -0.001 0.000 0.220 1220 G HA3 0.095 4.055 3.960 -0.001 0.000 0.220 1220 G C 0.491 175.415 174.900 0.041 0.000 0.990 1220 G CA -0.168 44.965 45.100 0.054 0.000 0.646 1220 G HN 1.752 nan 8.290 nan 0.000 0.517 1221 G N -1.916 107.009 108.800 0.208 0.000 2.512 1221 G HA2 0.623 4.582 3.960 -0.001 0.000 0.181 1221 G HA3 0.623 4.582 3.960 -0.001 0.000 0.181 1221 G C -0.637 174.343 174.900 0.134 0.000 1.173 1221 G CA 0.763 45.970 45.100 0.178 0.000 0.988 1221 G HN 1.807 nan 8.290 nan 0.000 0.485 1222 V N -1.827 118.138 119.914 0.085 0.000 2.864 1222 V HA 0.808 4.927 4.120 -0.001 0.000 0.314 1222 V C -1.975 174.074 176.094 -0.075 0.000 1.073 1222 V CA -1.583 60.702 62.300 -0.026 0.000 0.956 1222 V CB 2.108 33.896 31.823 -0.059 0.000 1.023 1222 V HN 0.530 nan 8.190 nan 0.000 0.435 1223 P HA 0.036 nan 4.420 nan 0.000 0.231 1223 P C 0.630 177.842 177.300 -0.147 0.000 1.168 1223 P CA 0.751 63.726 63.100 -0.208 0.000 0.779 1223 P CB -0.024 31.549 31.700 -0.213 0.000 0.844 1224 S N 1.566 117.213 115.700 -0.088 0.000 2.422 1224 S HA 0.378 4.847 4.470 -0.001 0.000 0.283 1224 S C -2.254 172.334 174.600 -0.021 0.000 1.163 1224 S CA -1.295 56.879 58.200 -0.043 0.000 1.054 1224 S CB 0.007 63.226 63.200 0.031 0.000 0.967 1224 S HN 0.045 nan 8.310 nan 0.000 0.499 1225 P HA 0.505 nan 4.420 nan 0.000 0.278 1225 P C -0.739 176.556 177.300 -0.008 0.000 1.266 1225 P CA -0.845 62.241 63.100 -0.023 0.000 0.807 1225 P CB 0.705 32.380 31.700 -0.041 0.000 1.094 1226 I N 0.941 121.511 120.570 0.000 0.000 2.389 1226 I HA 0.367 4.536 4.170 -0.001 0.000 0.288 1226 I C -0.271 175.842 176.117 -0.007 0.000 0.999 1226 I CA -0.078 61.223 61.300 0.002 0.000 1.129 1226 I CB 1.502 39.510 38.000 0.013 0.000 1.288 1226 I HN 0.214 nan 8.210 nan 0.000 0.444 1227 D N 6.357 126.749 120.400 -0.013 0.000 2.613 1227 D HA 0.161 4.800 4.640 -0.001 0.000 0.230 1227 D C 0.197 176.488 176.300 -0.015 0.000 1.365 1227 D CA -0.448 53.544 54.000 -0.013 0.000 0.976 1227 D CB 1.795 42.585 40.800 -0.016 0.000 1.415 1227 D HN 0.174 nan 8.370 nan 0.000 0.589 1228 L N 2.162 123.378 121.223 -0.012 0.000 2.265 1228 L HA 0.025 4.364 4.340 -0.001 0.000 0.215 1228 L C 1.220 178.083 176.870 -0.012 0.000 1.117 1228 L CA 1.345 56.178 54.840 -0.012 0.000 0.782 1228 L CB -0.380 41.675 42.059 -0.008 0.000 0.914 1228 L HN 0.476 nan 8.230 nan 0.000 0.441 1229 D N -1.661 118.731 120.400 -0.012 0.000 2.463 1229 D HA 0.096 4.735 4.640 -0.001 0.000 0.224 1229 D C 0.386 176.677 176.300 -0.014 0.000 1.174 1229 D CA 0.154 54.147 54.000 -0.012 0.000 0.829 1229 D CB 0.837 41.632 40.800 -0.009 0.000 0.993 1229 D HN 0.074 nan 8.370 nan 0.000 0.497 1230 S N 0.951 116.640 115.700 -0.018 0.000 2.536 1230 S HA 0.153 4.622 4.470 -0.001 0.000 0.298 1230 S C 0.582 175.167 174.600 -0.025 0.000 1.083 1230 S CA -0.718 57.469 58.200 -0.021 0.000 0.995 1230 S CB 1.800 64.986 63.200 -0.024 0.000 1.058 1230 S HN 0.057 nan 8.310 nan 0.000 0.488 1231 D N 1.708 122.093 120.400 -0.025 0.000 2.349 1231 D HA 0.053 4.692 4.640 -0.001 0.000 0.224 1231 D C 0.755 177.034 176.300 -0.035 0.000 1.029 1231 D CA 0.311 54.294 54.000 -0.028 0.000 0.879 1231 D CB 0.194 40.979 40.800 -0.024 0.000 0.906 1231 D HN 0.250 nan 8.370 nan 0.000 0.528 1232 S N -1.055 114.623 115.700 -0.036 0.000 2.977 1232 S HA 0.613 5.082 4.470 -0.001 0.000 0.250 1232 S C -0.421 174.150 174.600 -0.049 0.000 1.005 1232 S CA -0.084 58.090 58.200 -0.043 0.000 1.081 1232 S CB -0.303 62.874 63.200 -0.038 0.000 1.018 1232 S HN 0.517 nan 8.310 nan 0.000 0.539 1233 A N 0.882 123.672 122.820 -0.049 0.000 2.564 1233 A HA 0.756 5.076 4.320 -0.001 0.000 0.288 1233 A C -1.426 176.124 177.584 -0.058 0.000 1.164 1233 A CA -0.618 51.390 52.037 -0.049 0.000 0.712 1233 A CB 0.558 19.537 19.000 -0.036 0.000 1.303 1233 A HN 0.267 nan 8.150 nan 0.000 0.418 1234 L N 2.777 123.967 121.223 -0.055 0.000 2.462 1234 L HA 0.231 4.570 4.340 -0.001 0.000 0.272 1234 L C 0.699 177.545 176.870 -0.041 0.000 1.166 1234 L CA 0.762 55.562 54.840 -0.066 0.000 0.880 1234 L CB -1.073 40.966 42.059 -0.034 0.000 1.142 1234 L HN 0.968 nan 8.230 nan 0.000 0.473 1235 N N 1.668 120.341 118.700 -0.045 0.000 3.278 1235 N HA 0.520 5.259 4.740 -0.001 0.000 0.307 1235 N C 0.511 176.010 175.510 -0.019 0.000 1.551 1235 N CA -0.319 52.714 53.050 -0.027 0.000 0.794 1235 N CB 1.091 39.561 38.487 -0.028 0.000 1.770 1235 N HN 0.253 nan 8.380 nan 0.000 0.612 1236 A N 0.271 123.086 122.820 -0.008 0.000 1.933 1236 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 1236 A C 2.118 179.707 177.584 0.007 0.000 1.175 1236 A CA 1.352 53.393 52.037 0.007 0.000 0.628 1236 A CB -0.750 18.255 19.000 0.009 0.000 0.814 1236 A HN 0.680 nan 8.150 nan 0.000 0.444 1237 K N -0.290 120.104 120.400 -0.010 0.000 2.009 1237 K HA -0.179 4.140 4.320 -0.001 0.000 0.210 1237 K C 2.093 178.672 176.600 -0.035 0.000 1.049 1237 K CA 1.369 57.645 56.287 -0.019 0.000 0.929 1237 K CB -0.299 32.184 32.500 -0.027 0.000 0.714 1237 K HN 0.311 nan 8.250 nan 0.000 0.440 1238 R N 0.713 121.176 120.500 -0.061 0.000 2.096 1238 R HA -0.053 4.286 4.340 -0.001 0.000 0.235 1238 R C 2.503 178.745 176.300 -0.096 0.000 1.127 1238 R CA 0.834 56.866 56.100 -0.113 0.000 0.968 1238 R CB -0.822 29.378 30.300 -0.166 0.000 0.861 1238 R HN 0.295 nan 8.270 nan 0.000 0.440 1239 L N 0.323 121.533 121.223 -0.021 0.000 2.141 1239 L HA -0.072 4.267 4.340 -0.001 0.000 0.209 1239 L C 2.563 179.529 176.870 0.159 0.000 1.094 1239 L CA 1.085 55.984 54.840 0.098 0.000 0.763 1239 L CB -0.532 41.595 42.059 0.114 0.000 0.908 1239 L HN 0.128 nan 8.230 nan 0.000 0.437 1240 A N 0.030 122.897 122.820 0.078 0.000 1.898 1240 A HA -0.194 4.125 4.320 -0.001 0.000 0.216 1240 A C 2.168 179.762 177.584 0.016 0.000 1.181 1240 A CA 1.436 53.509 52.037 0.061 0.000 0.620 1240 A CB -0.340 18.681 19.000 0.034 0.000 0.819 1240 A HN 0.441 nan 8.150 nan 0.000 0.442 1241 E N -0.242 119.948 120.200 -0.016 0.000 2.110 1241 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 1241 E C 1.944 178.523 176.600 -0.035 0.000 0.988 1241 E CA 1.289 57.667 56.400 -0.037 0.000 0.804 1241 E CB -0.310 29.346 29.700 -0.074 0.000 0.745 1241 E HN 0.404 nan 8.360 nan 0.000 0.458 1242 V N 1.462 121.345 119.914 -0.052 0.000 2.343 1242 V HA -0.266 3.853 4.120 -0.001 0.000 0.247 1242 V C 2.477 178.568 176.094 -0.006 0.000 1.051 1242 V CA 1.896 64.183 62.300 -0.023 0.000 1.036 1242 V CB -0.559 31.270 31.823 0.010 0.000 0.654 1242 V HN 0.236 nan 8.190 nan 0.000 0.451 1243 R N 0.401 120.808 120.500 -0.155 0.000 2.091 1243 R HA -0.206 4.133 4.340 -0.001 0.000 0.238 1243 R C 2.165 178.391 176.300 -0.124 0.000 1.136 1243 R CA 2.122 58.005 56.100 -0.362 0.000 0.959 1243 R CB -0.305 29.829 30.300 -0.277 0.000 0.856 1243 R HN 0.503 nan 8.270 nan 0.000 0.437 1244 N N 0.739 119.416 118.700 -0.039 0.000 2.166 1244 N HA -0.131 4.608 4.740 -0.001 0.000 0.186 1244 N C 1.818 177.355 175.510 0.045 0.000 1.019 1244 N CA 1.110 54.164 53.050 0.006 0.000 0.856 1244 N CB -0.236 38.258 38.487 0.012 0.000 0.993 1244 N HN 0.240 nan 8.380 nan 0.000 0.426 1245 L N 0.290 121.559 121.223 0.077 0.000 2.083 1245 L HA -0.071 4.268 4.340 -0.001 0.000 0.209 1245 L C 2.011 178.956 176.870 0.126 0.000 1.083 1245 L CA 0.784 55.699 54.840 0.125 0.000 0.752 1245 L CB -0.299 41.907 42.059 0.245 0.000 0.899 1245 L HN 0.139 nan 8.230 nan 0.000 0.433 1246 I N -0.666 119.978 120.570 0.123 0.000 2.252 1246 I HA -0.310 3.859 4.170 -0.001 0.000 0.245 1246 I C 2.710 178.874 176.117 0.078 0.000 1.102 1246 I CA 1.204 62.549 61.300 0.075 0.000 1.385 1246 I CB -0.208 37.816 38.000 0.039 0.000 1.064 1246 I HN 0.373 nan 8.210 nan 0.000 0.414 1247 Q N 0.898 120.736 119.800 0.063 0.000 2.050 1247 Q HA -0.222 4.117 4.340 -0.001 0.000 0.202 1247 Q C 2.306 178.399 176.000 0.155 0.000 0.980 1247 Q CA 2.547 58.400 55.803 0.083 0.000 0.840 1247 Q CB 0.020 28.791 28.738 0.055 0.000 0.898 1247 Q HN 0.581 nan 8.270 nan 0.000 0.424 1248 S N -0.106 115.705 115.700 0.186 0.000 2.423 1248 S HA -0.149 4.320 4.470 -0.001 0.000 0.231 1248 S C 1.910 176.810 174.600 0.499 0.000 1.014 1248 S CA 1.225 59.613 58.200 0.314 0.000 0.965 1248 S CB -0.310 63.070 63.200 0.301 0.000 0.785 1248 S HN 0.352 nan 8.310 nan 0.000 0.495 1249 M N 1.180 121.025 119.600 0.408 0.000 2.086 1249 M HA -0.069 4.410 4.480 -0.001 0.000 0.261 1249 M C 2.661 179.168 176.300 0.345 0.000 1.067 1249 M CA 1.724 57.329 55.300 0.510 0.000 1.116 1249 M CB -0.356 32.419 32.600 0.291 0.000 1.348 1249 M HN 0.285 nan 8.290 nan 0.000 0.407 1250 R N -0.106 120.522 120.500 0.212 0.000 2.083 1250 R HA -0.138 4.201 4.340 -0.001 0.000 0.237 1250 R C 2.029 178.406 176.300 0.128 0.000 1.137 1250 R CA 2.178 58.358 56.100 0.134 0.000 0.951 1250 R CB -0.346 30.005 30.300 0.085 0.000 0.851 1250 R HN 0.289 nan 8.270 nan 0.000 0.434 1251 T N 0.179 114.838 114.554 0.175 0.000 2.746 1251 T HA -0.152 4.197 4.350 -0.001 0.000 0.267 1251 T C 1.336 176.097 174.700 0.102 0.000 1.039 1251 T CA 1.464 63.666 62.100 0.169 0.000 1.142 1251 T CB -0.320 68.704 68.868 0.260 0.000 0.866 1251 T HN 0.233 nan 8.240 nan 0.000 0.444 1252 F N 1.293 121.202 119.950 -0.069 0.000 2.186 1252 F HA -0.063 4.463 4.527 -0.001 0.000 0.299 1252 F C 2.216 177.769 175.800 -0.411 0.000 1.090 1252 F CA 0.655 58.373 58.000 -0.470 0.000 1.307 1252 F CB -0.235 38.118 39.000 -1.079 0.000 1.019 1252 F HN -0.101 nan 8.300 nan 0.000 0.489 1253 V N 0.090 119.975 119.914 -0.050 0.000 2.270 1253 V HA -0.289 3.830 4.120 -0.001 0.000 0.245 1253 V C 2.010 178.032 176.094 -0.120 0.000 1.043 1253 V CA 2.198 64.493 62.300 -0.009 0.000 1.014 1253 V CB -0.626 31.258 31.823 0.102 0.000 0.645 1253 V HN 0.234 nan 8.190 nan 0.000 0.447 1254 D N -0.485 119.861 120.400 -0.090 0.000 2.117 1254 D HA -0.151 4.488 4.640 -0.001 0.000 0.197 1254 D C 2.307 178.519 176.300 -0.147 0.000 0.987 1254 D CA 1.339 55.281 54.000 -0.097 0.000 0.829 1254 D CB -0.074 40.702 40.800 -0.039 0.000 0.961 1254 D HN 0.517 nan 8.370 nan 0.000 0.460 1255 Q N -0.658 119.021 119.800 -0.201 0.000 2.392 1255 Q HA 0.102 4.441 4.340 -0.001 0.000 0.219 1255 Q C 1.717 177.441 176.000 -0.459 0.000 0.895 1255 Q CA 0.182 55.867 55.803 -0.197 0.000 0.929 1255 Q CB 1.457 30.197 28.738 0.003 0.000 1.077 1255 Q HN 0.122 nan 8.270 nan 0.000 0.532 1256 V N -0.923 118.509 119.914 -0.804 0.000 2.870 1256 V HA -0.087 4.032 4.120 -0.001 0.000 0.232 1256 V C 1.548 177.341 176.094 -0.502 0.000 1.161 1256 V CA 0.601 62.244 62.300 -1.096 0.000 1.204 1256 V CB -0.659 29.779 31.823 -2.308 0.000 1.003 1256 V HN 0.219 nan 8.190 nan 0.000 0.499 1257 Y N 1.815 121.773 120.300 -0.571 0.000 2.089 1257 Y HA -0.173 4.376 4.550 -0.001 0.000 0.282 1257 Y C 2.328 178.016 175.900 -0.354 0.000 1.139 1257 Y CA 1.995 59.930 58.100 -0.274 0.000 1.123 1257 Y CB -0.759 37.592 38.460 -0.182 0.000 0.980 1257 Y HN 0.008 nan 8.280 nan 0.000 0.493 1258 V N 1.340 120.991 119.914 -0.438 0.000 2.295 1258 V HA -0.208 3.912 4.120 -0.001 0.000 0.246 1258 V C -0.420 175.472 176.094 -0.338 0.000 1.049 1258 V CA 2.436 64.422 62.300 -0.523 0.000 1.024 1258 V CB -1.889 29.706 31.823 -0.380 0.000 0.648 1258 V HN 0.270 nan 8.190 nan 0.000 0.447 1259 P HA -0.075 nan 4.420 nan 0.000 0.218 1259 P C 1.006 178.251 177.300 -0.092 0.000 1.149 1259 P CA 1.238 64.256 63.100 -0.138 0.000 0.817 1259 P CB -0.021 31.624 31.700 -0.092 0.000 0.785 1260 D N -1.414 118.945 120.400 -0.068 0.000 2.117 1260 D HA -0.100 4.539 4.640 -0.001 0.000 0.198 1260 D C 1.867 178.129 176.300 -0.063 0.000 0.982 1260 D CA 1.365 55.397 54.000 0.053 0.000 0.828 1260 D CB -1.020 39.940 40.800 0.268 0.000 0.967 1260 D HN 0.102 nan 8.370 nan 0.000 0.464 1261 T N 1.051 115.400 114.554 -0.342 0.000 2.746 1261 T HA -0.084 4.265 4.350 -0.001 0.000 0.267 1261 T C 2.178 176.731 174.700 -0.244 0.000 1.039 1261 T CA 0.695 62.511 62.100 -0.473 0.000 1.142 1261 T CB -0.256 68.155 68.868 -0.761 0.000 0.866 1261 T HN 0.125 nan 8.240 nan 0.000 0.444 1262 L N 0.713 121.810 121.223 -0.209 0.000 2.027 1262 L HA -0.032 4.308 4.340 -0.001 0.000 0.206 1262 L C 3.119 179.955 176.870 -0.057 0.000 1.074 1262 L CA 1.222 55.981 54.840 -0.136 0.000 0.745 1262 L CB -0.802 41.179 42.059 -0.131 0.000 0.898 1262 L HN 0.226 nan 8.230 nan 0.000 0.433 1263 A N 0.463 123.276 122.820 -0.012 0.000 1.902 1263 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 1263 A C 2.234 179.915 177.584 0.162 0.000 1.181 1263 A CA 1.637 53.717 52.037 0.071 0.000 0.623 1263 A CB -0.692 18.361 19.000 0.089 0.000 0.818 1263 A HN 0.348 nan 8.150 nan 0.000 0.443 1264 I N -0.328 120.319 120.570 0.129 0.000 2.252 1264 I HA -0.251 3.919 4.170 -0.001 0.000 0.245 1264 I C 2.949 179.186 176.117 0.200 0.000 1.102 1264 I CA 0.900 62.316 61.300 0.193 0.000 1.385 1264 I CB -0.304 37.776 38.000 0.133 0.000 1.064 1264 I HN 0.356 nan 8.210 nan 0.000 0.414 1265 A N 0.953 123.789 122.820 0.026 0.000 1.948 1265 A HA -0.198 4.121 4.320 -0.001 0.000 0.220 1265 A C 2.418 180.028 177.584 0.044 0.000 1.177 1265 A CA 1.965 53.995 52.037 -0.011 0.000 0.636 1265 A CB -1.498 17.446 19.000 -0.094 0.000 0.815 1265 A HN 0.483 nan 8.150 nan 0.000 0.449 1266 G N -1.817 106.987 108.800 0.007 0.000 2.479 1266 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.220 1266 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.220 1266 G C 1.089 175.836 174.900 -0.256 0.000 1.115 1266 G CA 0.987 46.006 45.100 -0.136 0.000 0.757 1266 G HN 0.495 nan 8.290 nan 0.000 0.560 1267 F N -1.483 118.390 119.950 -0.127 0.000 2.765 1267 F HA 0.358 4.884 4.527 -0.001 0.000 0.302 1267 F C 0.567 176.082 175.800 -0.474 0.000 1.111 1267 F CA -0.079 57.727 58.000 -0.323 0.000 1.359 1267 F CB 0.390 39.112 39.000 -0.464 0.000 1.097 1267 F HN 0.111 nan 8.300 nan 0.000 0.577 1268 Y N -1.093 119.325 120.300 0.197 0.000 2.666 1268 Y HA 0.225 4.774 4.550 -0.001 0.000 0.264 1268 Y C 1.304 177.354 175.900 0.250 0.000 1.054 1268 Y CA -0.575 57.691 58.100 0.276 0.000 1.121 1268 Y CB -0.014 38.532 38.460 0.144 0.000 1.190 1268 Y HN -0.159 nan 8.280 nan 0.000 0.587 1269 K N 0.552 121.083 120.400 0.220 0.000 2.211 1269 K HA -0.145 4.174 4.320 -0.001 0.000 0.203 1269 K C 1.521 178.203 176.600 0.136 0.000 1.050 1269 K CA 1.547 57.908 56.287 0.125 0.000 0.945 1269 K CB 0.025 32.543 32.500 0.031 0.000 0.732 1269 K HN 0.500 nan 8.250 nan 0.000 0.451 1270 D N -0.236 120.256 120.400 0.154 0.000 2.309 1270 D HA -0.193 4.446 4.640 -0.001 0.000 0.212 1270 D C 1.013 177.279 176.300 -0.057 0.000 0.968 1270 D CA 0.678 54.699 54.000 0.035 0.000 0.882 1270 D CB -0.344 40.452 40.800 -0.007 0.000 0.918 1270 D HN 0.273 nan 8.370 nan 0.000 0.503 1271 W N 1.451 122.830 121.300 0.131 0.000 3.077 1271 W HA 0.314 4.973 4.660 -0.001 0.000 0.245 1271 W C 2.251 178.822 176.519 0.086 0.000 1.316 1271 W CA 0.443 57.870 57.345 0.137 0.000 1.537 1271 W CB 0.075 29.693 29.460 0.264 0.000 1.131 1271 W HN 0.074 nan 8.180 nan 0.000 0.695 1272 G N -0.154 108.744 108.800 0.163 0.000 3.088 1272 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.212 1272 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.212 1272 G C 0.864 175.793 174.900 0.049 0.000 1.173 1272 G CA 0.123 45.279 45.100 0.092 0.000 0.779 1272 G HN 0.322 nan 8.290 nan 0.000 0.540 1273 E N -0.562 119.635 120.200 -0.005 0.000 2.630 1273 E HA 0.148 4.497 4.350 -0.001 0.000 0.218 1273 E C 0.656 177.215 176.600 -0.067 0.000 0.977 1273 E CA -0.320 56.060 56.400 -0.034 0.000 1.038 1273 E CB 0.733 30.393 29.700 -0.067 0.000 1.051 1273 E HN 0.514 nan 8.360 nan 0.000 0.487 1274 R N -1.567 118.888 120.500 -0.074 0.000 2.817 1274 R HA 0.679 5.019 4.340 -0.001 0.000 0.268 1274 R C 0.270 176.658 176.300 0.147 0.000 1.027 1274 R CA -0.434 55.625 56.100 -0.068 0.000 0.928 1274 R CB 0.992 31.021 30.300 -0.451 0.000 1.228 1274 R HN -0.008 nan 8.270 nan 0.000 0.469 1275 G N 0.082 109.073 108.800 0.317 0.000 2.142 1275 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.225 1275 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.225 1275 G C -0.407 174.682 174.900 0.315 0.000 1.015 1275 G CA 0.321 45.686 45.100 0.441 0.000 0.716 1275 G HN 0.574 nan 8.290 nan 0.000 0.508 1276 E N -0.198 120.161 120.200 0.265 0.000 2.528 1276 E HA 0.496 4.845 4.350 -0.001 0.000 0.277 1276 E C 0.689 177.410 176.600 0.201 0.000 0.980 1276 E CA 0.098 56.664 56.400 0.277 0.000 0.796 1276 E CB 0.588 30.484 29.700 0.327 0.000 1.427 1276 E HN 0.514 nan 8.360 nan 0.000 0.394 1277 G N 3.249 112.149 108.800 0.166 0.000 3.575 1277 G HA2 0.179 4.138 3.960 -0.001 0.000 0.273 1277 G HA3 0.179 4.138 3.960 -0.001 0.000 0.273 1277 G C 0.858 175.783 174.900 0.041 0.000 1.053 1277 G CA 0.019 45.172 45.100 0.088 0.000 0.803 1277 G HN 0.415 nan 8.290 nan 0.000 0.528 1278 L N -0.970 120.268 121.223 0.026 0.000 2.515 1278 L HA 0.318 4.657 4.340 -0.001 0.000 0.202 1278 L C 2.191 179.017 176.870 -0.074 0.000 1.056 1278 L CA 0.712 55.524 54.840 -0.047 0.000 0.847 1278 L CB 0.043 42.036 42.059 -0.110 0.000 1.131 1278 L HN 0.287 nan 8.230 nan 0.000 0.484 1279 G N 0.898 109.650 108.800 -0.080 0.000 2.184 1279 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.264 1279 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.264 1279 G C -0.028 174.851 174.900 -0.035 0.000 0.975 1279 G CA 0.192 45.297 45.100 0.010 0.000 0.642 1279 G HN 0.366 nan 8.290 nan 0.000 0.536 1280 N N -0.182 118.284 118.700 -0.390 0.000 2.321 1280 N HA 0.772 5.511 4.740 -0.001 0.000 0.299 1280 N C -1.048 174.012 175.510 -0.751 0.000 1.048 1280 N CA -0.189 52.688 53.050 -0.289 0.000 0.836 1280 N CB 1.455 39.859 38.487 -0.139 0.000 1.269 1280 N HN 0.074 nan 8.380 nan 0.000 0.486 1281 F N 0.646 120.561 119.950 -0.058 0.000 2.578 1281 F HA 0.527 5.053 4.527 -0.001 0.000 0.311 1281 F C -0.410 175.233 175.800 -0.261 0.000 1.094 1281 F CA -0.992 56.941 58.000 -0.112 0.000 0.923 1281 F CB 1.820 40.795 39.000 -0.042 0.000 1.230 1281 F HN 0.179 nan 8.300 nan 0.000 0.450 1282 L N 2.944 124.036 121.223 -0.218 0.000 2.408 1282 L HA 0.858 5.197 4.340 -0.001 0.000 0.268 1282 L C -1.560 175.094 176.870 -0.360 0.000 0.986 1282 L CA -0.343 54.244 54.840 -0.422 0.000 0.820 1282 L CB 1.611 43.232 42.059 -0.731 0.000 1.303 1282 L HN 0.760 nan 8.230 nan 0.000 0.411 1283 C N 4.016 123.164 119.300 -0.253 0.000 2.547 1283 C HA 0.454 4.913 4.460 -0.001 0.000 0.313 1283 C C 0.509 175.509 174.990 0.018 0.000 1.191 1283 C CA -0.542 58.367 59.018 -0.182 0.000 1.474 1283 C CB 1.410 29.111 27.740 -0.064 0.000 2.081 1283 C HN 0.861 nan 8.230 nan 0.000 0.476 1284 Y N 1.595 121.887 120.300 -0.013 0.000 2.517 1284 Y HA 0.325 4.874 4.550 -0.002 0.000 0.281 1284 Y C 1.694 177.690 175.900 0.161 0.000 1.125 1284 Y CA 0.847 58.989 58.100 0.069 0.000 1.283 1284 Y CB -0.942 37.550 38.460 0.052 0.000 1.042 1284 Y HN 1.101 nan 8.280 nan 0.000 0.547 1285 G N 0.591 109.532 108.800 0.235 0.000 2.758 1285 G HA2 0.020 3.980 3.960 -0.001 0.000 0.686 1285 G HA3 0.020 3.980 3.960 -0.001 0.000 0.686 1285 G C -1.185 173.539 174.900 -0.294 0.000 1.389 1285 G CA -0.173 45.056 45.100 0.214 0.000 0.845 1285 G HN 0.245 nan 8.290 nan 0.000 0.572 1286 D N -1.136 118.816 120.400 -0.746 0.000 2.764 1286 D HA 0.508 5.147 4.640 -0.001 0.000 0.293 1286 D C 0.145 175.993 176.300 -0.753 0.000 1.287 1286 D CA 0.163 53.575 54.000 -0.980 0.000 0.768 1286 D CB 0.798 41.451 40.800 -0.244 0.000 1.288 1286 D HN 1.621 nan 8.370 nan 0.000 0.426 1287 L N -0.633 120.279 121.223 -0.518 0.000 3.222 1287 L HA -0.104 4.235 4.340 -0.001 0.000 0.700 1287 L C -2.321 174.530 176.870 -0.032 0.000 1.229 1287 L CA -0.322 54.356 54.840 -0.271 0.000 1.229 1287 L CB -1.158 40.779 42.059 -0.204 0.000 1.842 1287 L HN 0.267 nan 8.230 nan 0.000 0.905 1288 P HA 0.117 nan 4.420 nan 0.000 0.275 1288 P C 1.024 178.417 177.300 0.155 0.000 1.228 1288 P CA 0.056 63.306 63.100 0.251 0.000 0.786 1288 P CB 1.049 32.904 31.700 0.258 0.000 0.927 1289 T N -0.583 114.086 114.554 0.192 0.000 2.995 1289 T HA 0.115 4.464 4.350 -0.001 0.000 0.269 1289 T C 1.105 175.885 174.700 0.133 0.000 1.091 1289 T CA 0.864 63.084 62.100 0.200 0.000 1.128 1289 T CB -0.516 68.444 68.868 0.153 0.000 0.891 1289 T HN 0.553 nan 8.240 nan 0.000 0.492 1290 G N -0.619 108.234 108.800 0.088 0.000 3.211 1290 G HA2 0.633 4.593 3.960 -0.001 0.000 0.262 1290 G HA3 0.633 4.593 3.960 -0.001 0.000 0.262 1290 G C 0.938 175.856 174.900 0.030 0.000 1.352 1290 G CA -0.304 44.828 45.100 0.054 0.000 1.004 1290 G HN 0.182 nan 8.290 nan 0.000 0.559 1291 A N -0.510 122.321 122.820 0.017 0.000 1.898 1291 A HA 0.243 4.562 4.320 -0.001 0.000 0.216 1291 A C 1.859 179.448 177.584 0.008 0.000 1.181 1291 A CA 1.916 53.955 52.037 0.003 0.000 0.620 1291 A CB -0.814 18.185 19.000 -0.001 0.000 0.819 1291 A HN 1.454 nan 8.150 nan 0.000 0.442 1292 S N -0.416 115.294 115.700 0.015 0.000 2.565 1292 S HA 0.388 4.857 4.470 -0.001 0.000 0.274 1292 S C 0.120 174.748 174.600 0.047 0.000 1.309 1292 S CA -0.606 57.604 58.200 0.017 0.000 1.043 1292 S CB 0.622 63.824 63.200 0.003 0.000 0.939 1292 S HN 0.357 nan 8.310 nan 0.000 0.504 1293 L N 3.738 124.996 121.223 0.059 0.000 2.533 1293 L HA 0.239 4.578 4.340 -0.001 0.000 0.239 1293 L C -0.157 176.762 176.870 0.081 0.000 1.376 1293 L CA 0.119 55.050 54.840 0.153 0.000 1.240 1293 L CB -0.768 41.368 42.059 0.130 0.000 1.487 1293 L HN 0.767 nan 8.230 nan 0.000 0.419 1294 D N 2.258 122.640 120.400 -0.030 0.000 2.329 1294 D HA 0.240 4.879 4.640 -0.001 0.000 0.232 1294 D C -1.775 174.136 176.300 -0.648 0.000 1.088 1294 D CA -2.216 51.652 54.000 -0.221 0.000 0.835 1294 D CB 2.025 42.756 40.800 -0.116 0.000 1.078 1294 D HN 0.085 nan 8.370 nan 0.000 0.495 1295 P HA -0.091 nan 4.420 nan 0.000 0.219 1295 P C 0.899 177.764 177.300 -0.725 0.000 1.146 1295 P CA 1.129 63.306 63.100 -1.539 0.000 0.808 1295 P CB 0.229 31.517 31.700 -0.686 0.000 0.779 1296 A N -0.601 122.001 122.820 -0.364 0.000 2.125 1296 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 1296 A C 1.957 179.493 177.584 -0.080 0.000 1.156 1296 A CA 2.055 53.998 52.037 -0.156 0.000 0.671 1296 A CB -1.531 17.414 19.000 -0.093 0.000 0.794 1296 A HN 0.347 nan 8.150 nan 0.000 0.459 1297 T N -4.188 110.313 114.554 -0.088 0.000 3.069 1297 T HA 0.363 4.712 4.350 -0.001 0.000 0.252 1297 T C 0.325 175.160 174.700 0.224 0.000 1.053 1297 T CA -0.498 61.639 62.100 0.061 0.000 0.964 1297 T CB -0.583 68.325 68.868 0.066 0.000 1.005 1297 T HN 0.249 nan 8.240 nan 0.000 0.532 1298 F N 1.389 121.372 119.950 0.054 0.000 2.518 1298 F HA 0.188 4.715 4.527 -0.001 0.000 0.359 1298 F C 1.603 177.434 175.800 0.052 0.000 1.118 1298 F CA -1.315 56.721 58.000 0.061 0.000 1.287 1298 F CB 0.831 39.882 39.000 0.085 0.000 1.132 1298 F HN 0.026 nan 8.300 nan 0.000 0.587 1299 L N 4.006 125.328 121.223 0.165 0.000 2.027 1299 L HA -0.053 4.286 4.340 -0.001 0.000 0.206 1299 L C 0.019 176.840 176.870 -0.082 0.000 1.074 1299 L CA 1.789 56.612 54.840 -0.030 0.000 0.745 1299 L CB -0.441 41.499 42.059 -0.199 0.000 0.898 1299 L HN 0.245 nan 8.230 nan 0.000 0.433 1300 F N 2.048 122.027 119.950 0.048 0.000 2.405 1300 F HA 0.456 4.982 4.527 -0.001 0.000 0.355 1300 F C -1.932 173.954 175.800 0.144 0.000 1.121 1300 F CA -3.337 54.678 58.000 0.025 0.000 1.112 1300 F CB 0.132 39.108 39.000 -0.041 0.000 1.126 1300 F HN 0.007 nan 8.300 nan 0.000 0.481 1301 P HA 0.182 nan 4.420 nan 0.000 0.276 1301 P C -0.617 176.852 177.300 0.281 0.000 1.244 1301 P CA -0.700 62.583 63.100 0.305 0.000 0.801 1301 P CB 1.162 32.977 31.700 0.193 0.000 1.006 1302 R N 0.655 121.331 120.500 0.294 0.000 2.390 1302 R HA 0.582 4.921 4.340 -0.001 0.000 0.291 1302 R C 0.116 176.502 176.300 0.144 0.000 1.070 1302 R CA 0.272 56.516 56.100 0.239 0.000 1.014 1302 R CB -0.066 30.383 30.300 0.248 0.000 1.007 1302 R HN 0.849 nan 8.270 nan 0.000 0.466 1303 G N 0.899 109.756 108.800 0.095 0.000 2.320 1303 G HA2 0.418 4.378 3.960 -0.001 0.000 0.297 1303 G HA3 0.418 4.378 3.960 -0.001 0.000 0.297 1303 G C -2.056 172.798 174.900 -0.077 0.000 1.344 1303 G CA -0.296 44.830 45.100 0.043 0.000 0.851 1303 G HN 0.792 nan 8.290 nan 0.000 0.567 1304 A N -0.663 122.091 122.820 -0.109 0.000 2.449 1304 A HA 0.871 5.190 4.320 -0.001 0.000 0.302 1304 A C -0.962 176.632 177.584 0.017 0.000 1.048 1304 A CA -0.560 51.317 52.037 -0.267 0.000 0.708 1304 A CB 1.347 19.811 19.000 -0.893 0.000 1.274 1304 A HN 0.993 nan 8.150 nan 0.000 0.410 1305 I N 1.829 122.443 120.570 0.074 0.000 2.474 1305 I HA 0.448 4.617 4.170 -0.001 0.000 0.294 1305 I C -0.827 175.416 176.117 0.212 0.000 1.005 1305 I CA -0.419 61.017 61.300 0.227 0.000 1.113 1305 I CB 1.777 39.941 38.000 0.274 0.000 1.289 1305 I HN 0.506 nan 8.210 nan 0.000 0.436 1306 L N 5.228 126.595 121.223 0.239 0.000 2.346 1306 L HA 0.478 4.817 4.340 -0.001 0.000 0.274 1306 L C -0.445 176.518 176.870 0.155 0.000 1.007 1306 L CA -0.727 54.203 54.840 0.151 0.000 0.818 1306 L CB 1.546 43.654 42.059 0.081 0.000 1.284 1306 L HN 0.629 nan 8.230 nan 0.000 0.424 1307 D N 2.438 122.898 120.400 0.099 0.000 2.837 1307 D HA -0.202 4.437 4.640 -0.001 0.000 0.230 1307 D C 0.453 176.777 176.300 0.040 0.000 1.152 1307 D CA 0.825 54.859 54.000 0.057 0.000 0.736 1307 D CB -0.703 40.133 40.800 0.060 0.000 1.084 1307 D HN 0.774 nan 8.370 nan 0.000 0.429 1308 R N -1.459 119.088 120.500 0.078 0.000 3.758 1308 R HA -0.228 4.111 4.340 -0.001 0.000 0.299 1308 R C -0.232 176.113 176.300 0.076 0.000 1.182 1308 R CA 1.246 57.336 56.100 -0.016 0.000 0.809 1308 R CB -1.428 28.592 30.300 -0.466 0.000 1.249 1308 R HN 0.274 nan 8.270 nan 0.000 0.497 1309 D N 0.637 121.115 120.400 0.130 0.000 2.396 1309 D HA 0.121 4.760 4.640 -0.001 0.000 0.225 1309 D C 0.639 177.023 176.300 0.139 0.000 1.121 1309 D CA -0.513 53.560 54.000 0.121 0.000 0.853 1309 D CB 0.898 41.771 40.800 0.121 0.000 1.043 1309 D HN -0.058 nan 8.370 nan 0.000 0.500 1310 L N 3.159 124.465 121.223 0.138 0.000 2.599 1310 L HA 0.030 4.369 4.340 -0.001 0.000 0.230 1310 L C 2.101 179.025 176.870 0.090 0.000 1.141 1310 L CA 0.605 55.526 54.840 0.135 0.000 0.877 1310 L CB -1.142 41.024 42.059 0.178 0.000 1.009 1310 L HN 0.467 nan 8.230 nan 0.000 0.447 1311 S N -3.159 112.583 115.700 0.071 0.000 2.558 1311 S HA 0.092 4.561 4.470 -0.001 0.000 0.217 1311 S C 0.739 175.345 174.600 0.010 0.000 0.975 1311 S CA -0.114 58.110 58.200 0.039 0.000 0.912 1311 S CB -0.062 63.160 63.200 0.037 0.000 0.776 1311 S HN 0.297 nan 8.310 nan 0.000 0.526 1312 T N 3.309 117.861 114.554 -0.003 0.000 2.890 1312 T HA 0.516 4.865 4.350 -0.001 0.000 0.295 1312 T C -1.027 173.593 174.700 -0.134 0.000 0.993 1312 T CA -0.545 61.494 62.100 -0.102 0.000 0.979 1312 T CB 1.250 70.002 68.868 -0.192 0.000 0.967 1312 T HN 0.083 nan 8.240 nan 0.000 0.441 1313 I N 4.291 124.793 120.570 -0.112 0.000 2.312 1313 I HA 0.252 4.421 4.170 -0.001 0.000 0.290 1313 I C 0.647 176.711 176.117 -0.087 0.000 1.008 1313 I CA -0.751 60.526 61.300 -0.038 0.000 1.226 1313 I CB 0.524 38.533 38.000 0.015 0.000 1.371 1313 I HN 0.604 nan 8.210 nan 0.000 0.468 1314 H N 5.292 124.412 119.070 0.083 0.000 2.582 1314 H HA 0.257 4.812 4.556 -0.001 0.000 0.345 1314 H C 0.017 175.438 175.328 0.154 0.000 1.104 1314 H CA -0.290 55.851 56.048 0.155 0.000 1.390 1314 H CB 1.275 31.194 29.762 0.262 0.000 1.461 1314 H HN 0.491 nan 8.280 nan 0.000 0.551 1315 E N 1.344 121.729 120.200 0.309 0.000 2.390 1315 E HA 0.236 4.585 4.350 -0.001 0.000 0.261 1315 E C -0.512 176.318 176.600 0.385 0.000 1.076 1315 E CA -0.424 56.132 56.400 0.260 0.000 0.905 1315 E CB 1.292 31.112 29.700 0.200 0.000 0.984 1315 E HN 0.174 nan 8.360 nan 0.000 0.427 1316 V N 2.367 122.470 119.914 0.315 0.000 2.495 1316 V HA 0.179 4.299 4.120 -0.001 0.000 0.298 1316 V C -0.635 175.643 176.094 0.307 0.000 1.031 1316 V CA -0.697 61.849 62.300 0.409 0.000 0.871 1316 V CB 1.832 33.841 31.823 0.310 0.000 0.988 1316 V HN 0.610 nan 8.190 nan 0.000 0.432 1317 D N 3.677 124.278 120.400 0.335 0.000 2.471 1317 D HA 0.382 5.021 4.640 -0.001 0.000 0.245 1317 D C 0.538 176.998 176.300 0.267 0.000 1.116 1317 D CA -0.416 53.721 54.000 0.228 0.000 0.853 1317 D CB 1.882 42.788 40.800 0.177 0.000 1.123 1317 D HN 0.337 nan 8.370 nan 0.000 0.540 1318 L N 2.702 124.049 121.223 0.207 0.000 2.456 1318 L HA 0.037 4.376 4.340 -0.001 0.000 0.224 1318 L C 1.692 178.853 176.870 0.485 0.000 1.148 1318 L CA 0.981 55.989 54.840 0.279 0.000 0.825 1318 L CB 0.034 42.077 42.059 -0.025 0.000 0.937 1318 L HN 0.459 nan 8.230 nan 0.000 0.450 1319 E N -0.411 119.972 120.200 0.306 0.000 2.490 1319 E HA 0.242 4.591 4.350 -0.001 0.000 0.209 1319 E C 0.707 177.285 176.600 -0.036 0.000 0.971 1319 E CA -0.051 56.497 56.400 0.246 0.000 0.988 1319 E CB 0.507 30.369 29.700 0.271 0.000 1.029 1319 E HN 0.315 nan 8.360 nan 0.000 0.496 1320 A N 1.976 124.805 122.820 0.015 0.000 2.491 1320 A HA 0.084 4.403 4.320 -0.001 0.000 0.261 1320 A C 1.407 178.890 177.584 -0.168 0.000 1.101 1320 A CA 0.120 52.124 52.037 -0.055 0.000 0.772 1320 A CB -0.057 18.955 19.000 0.019 0.000 1.043 1320 A HN 0.209 nan 8.150 nan 0.000 0.501 1321 T N 0.125 114.529 114.554 -0.249 0.000 3.085 1321 T HA 0.043 4.392 4.350 -0.001 0.000 0.263 1321 T C 1.306 175.975 174.700 -0.052 0.000 1.127 1321 T CA 1.151 63.093 62.100 -0.264 0.000 1.103 1321 T CB 0.018 68.771 68.868 -0.192 0.000 0.921 1321 T HN 0.769 nan 8.240 nan 0.000 0.510 1322 G N 0.342 109.113 108.800 -0.047 0.000 3.141 1322 G HA2 0.234 4.193 3.960 -0.001 0.000 0.218 1322 G HA3 0.234 4.193 3.960 -0.001 0.000 0.218 1322 G C 1.002 175.876 174.900 -0.043 0.000 1.170 1322 G CA 0.258 45.338 45.100 -0.033 0.000 0.769 1322 G HN 0.644 nan 8.290 nan 0.000 0.546 1323 E N -0.197 119.997 120.200 -0.009 0.000 2.101 1323 E HA 0.194 4.543 4.350 -0.001 0.000 0.194 1323 E C 0.261 176.871 176.600 0.016 0.000 0.950 1323 E CA -0.357 55.987 56.400 -0.094 0.000 0.917 1323 E CB 0.116 29.772 29.700 -0.072 0.000 0.963 1323 E HN 0.199 nan 8.360 nan 0.000 0.476 1324 I N 2.415 123.113 120.570 0.212 0.000 2.352 1324 I HA 0.158 4.327 4.170 -0.001 0.000 0.290 1324 I C -0.423 175.687 176.117 -0.012 0.000 1.036 1324 I CA 0.065 61.517 61.300 0.253 0.000 1.336 1324 I CB 1.109 39.293 38.000 0.308 0.000 1.407 1324 I HN 0.287 nan 8.210 nan 0.000 0.497 1325 Q N 5.632 125.410 119.800 -0.038 0.000 2.421 1325 Q HA 0.519 4.858 4.340 -0.001 0.000 0.280 1325 Q C -1.319 174.523 176.000 -0.264 0.000 1.085 1325 Q CA -0.963 54.702 55.803 -0.231 0.000 0.807 1325 Q CB 3.007 31.583 28.738 -0.270 0.000 1.405 1325 Q HN 0.495 nan 8.270 nan 0.000 0.419 1326 E N 1.173 121.151 120.200 -0.369 0.000 2.183 1326 E HA 0.478 4.827 4.350 -0.001 0.000 0.271 1326 E C -1.276 175.184 176.600 -0.233 0.000 0.919 1326 E CA -0.374 55.877 56.400 -0.248 0.000 0.781 1326 E CB 1.482 31.034 29.700 -0.247 0.000 1.140 1326 E HN 0.281 nan 8.360 nan 0.000 0.402 1327 F N 0.698 120.601 119.950 -0.078 0.000 2.523 1327 F HA 0.277 4.804 4.527 -0.001 0.000 0.329 1327 F C 0.923 176.603 175.800 -0.200 0.000 1.061 1327 F CA -0.779 57.180 58.000 -0.070 0.000 0.967 1327 F CB 1.623 40.581 39.000 -0.070 0.000 1.218 1327 F HN 0.275 nan 8.300 nan 0.000 0.480 1328 V N -1.686 118.155 119.914 -0.122 0.000 3.111 1328 V HA 0.242 4.361 4.120 -0.001 0.000 0.343 1328 V C 0.399 176.356 176.094 -0.229 0.000 1.417 1328 V CA -0.306 61.831 62.300 -0.273 0.000 1.142 1328 V CB -0.463 31.030 31.823 -0.550 0.000 1.114 1328 V HN 0.755 nan 8.190 nan 0.000 0.520 1329 N N 1.417 120.029 118.700 -0.148 0.000 2.272 1329 N HA -0.108 4.631 4.740 -0.001 0.000 0.185 1329 N C 0.841 176.032 175.510 -0.531 0.000 1.014 1329 N CA 1.969 54.854 53.050 -0.275 0.000 0.870 1329 N CB -0.368 37.981 38.487 -0.230 0.000 0.975 1329 N HN 0.812 nan 8.380 nan 0.000 0.433 1330 H N -1.544 117.377 119.070 -0.249 0.000 2.651 1330 H HA 0.445 5.001 4.556 -0.001 0.000 0.241 1330 H C -0.819 174.102 175.328 -0.679 0.000 1.225 1330 H CA -0.341 55.458 56.048 -0.415 0.000 0.942 1330 H CB 0.615 30.112 29.762 -0.442 0.000 1.996 1330 H HN -0.057 nan 8.280 nan 0.000 0.600 1331 S N -0.388 115.050 115.700 -0.437 0.000 2.599 1331 S HA 0.165 4.634 4.470 -0.001 0.000 0.294 1331 S C -0.704 173.671 174.600 -0.375 0.000 1.094 1331 S CA -0.885 57.046 58.200 -0.448 0.000 0.931 1331 S CB 1.388 64.547 63.200 -0.068 0.000 1.093 1331 S HN 0.371 nan 8.310 nan 0.000 0.488 1332 W N 2.816 123.830 121.300 -0.477 0.000 1.564 1332 W HA 0.381 5.040 4.660 -0.002 0.000 0.448 1332 W C -0.950 175.127 176.519 -0.737 0.000 0.601 1332 W CA -0.614 56.289 57.345 -0.736 0.000 2.326 1332 W CB -1.328 27.331 29.460 -1.336 0.000 1.355 1332 W HN 0.544 nan 8.180 nan 0.000 0.382 1333 Y N -0.275 120.035 120.300 0.016 0.000 2.581 1333 Y HA 0.334 4.884 4.550 -0.002 0.000 0.345 1333 Y C -0.196 175.669 175.900 -0.058 0.000 1.036 1333 Y CA -1.326 56.791 58.100 0.027 0.000 1.042 1333 Y CB 2.028 40.462 38.460 -0.044 0.000 1.289 1333 Y HN -0.155 nan 8.280 nan 0.000 0.471 1334 E N 0.706 121.017 120.200 0.186 0.000 2.187 1334 E HA 0.435 4.784 4.350 -0.001 0.000 0.268 1334 E C -2.017 174.733 176.600 0.250 0.000 0.896 1334 E CA -0.567 55.906 56.400 0.121 0.000 0.766 1334 E CB 0.787 30.554 29.700 0.113 0.000 1.142 1334 E HN 0.352 nan 8.360 nan 0.000 0.408 1335 Y N 2.145 122.471 120.300 0.044 0.000 2.341 1335 Y HA 0.150 4.700 4.550 -0.001 0.000 0.337 1335 Y C 1.472 177.374 175.900 0.003 0.000 1.014 1335 Y CA -1.298 56.807 58.100 0.009 0.000 1.111 1335 Y CB 1.903 40.346 38.460 -0.028 0.000 1.194 1335 Y HN 0.686 nan 8.280 nan 0.000 0.462 1336 S N 0.327 116.110 115.700 0.139 0.000 2.442 1336 S HA -0.112 4.357 4.470 -0.001 0.000 0.236 1336 S C 1.390 176.017 174.600 0.046 0.000 1.007 1336 S CA 1.137 59.377 58.200 0.067 0.000 0.965 1336 S CB -0.791 62.427 63.200 0.030 0.000 0.773 1336 S HN 0.518 nan 8.310 nan 0.000 0.504 1337 V N -1.892 118.045 119.914 0.037 0.000 3.573 1337 V HA 0.589 4.708 4.120 -0.001 0.000 0.270 1337 V C 1.009 177.136 176.094 0.054 0.000 1.221 1337 V CA -0.043 62.266 62.300 0.016 0.000 1.163 1337 V CB -1.377 30.420 31.823 -0.043 0.000 0.847 1337 V HN 0.953 nan 8.190 nan 0.000 0.468 1338 G N 0.856 109.717 108.800 0.101 0.000 3.055 1338 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.685 1338 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.685 1338 G C -0.370 174.603 174.900 0.122 0.000 1.212 1338 G CA -0.166 44.985 45.100 0.086 0.000 0.822 1338 G HN 0.173 nan 8.290 nan 0.000 0.610 1339 N N 0.618 119.348 118.700 0.050 0.000 2.521 1339 N HA 0.008 4.747 4.740 -0.001 0.000 0.188 1339 N C 1.513 177.011 175.510 -0.021 0.000 1.146 1339 N CA 1.223 54.252 53.050 -0.034 0.000 0.893 1339 N CB 0.209 38.645 38.487 -0.084 0.000 0.975 1339 N HN 0.801 nan 8.380 nan 0.000 0.451 1340 D N -1.118 119.312 120.400 0.049 0.000 2.379 1340 D HA 0.006 4.645 4.640 -0.001 0.000 0.208 1340 D C 0.356 176.781 176.300 0.208 0.000 1.065 1340 D CA 0.037 54.094 54.000 0.095 0.000 0.848 1340 D CB 0.330 41.162 40.800 0.053 0.000 0.949 1340 D HN -0.146 nan 8.370 nan 0.000 0.509 1341 R N 0.699 121.304 120.500 0.174 0.000 2.500 1341 R HA 0.641 4.980 4.340 -0.001 0.000 0.275 1341 R C 0.633 176.867 176.300 -0.109 0.000 1.051 1341 R CA -0.512 55.651 56.100 0.105 0.000 1.088 1341 R CB 0.932 31.261 30.300 0.047 0.000 1.063 1341 R HN 0.086 nan 8.270 nan 0.000 0.511 1342 G N 1.369 109.808 108.800 -0.603 0.000 2.348 1342 G HA2 0.541 4.500 3.960 -0.001 0.000 0.312 1342 G HA3 0.541 4.500 3.960 -0.001 0.000 0.312 1342 G C -0.617 173.912 174.900 -0.618 0.000 1.126 1342 G CA -0.612 43.645 45.100 -1.405 0.000 0.865 1342 G HN 0.300 nan 8.290 nan 0.000 0.474 1343 L N 1.620 122.527 121.223 -0.527 0.000 2.313 1343 L HA 0.300 4.639 4.340 -0.001 0.000 0.283 1343 L C 0.243 176.882 176.870 -0.384 0.000 1.013 1343 L CA -1.120 53.448 54.840 -0.452 0.000 0.816 1343 L CB 1.782 43.458 42.059 -0.638 0.000 1.236 1343 L HN 0.707 nan 8.230 nan 0.000 0.419 1344 H N 5.224 124.087 119.070 -0.346 0.000 2.790 1344 H HA 0.076 4.631 4.556 -0.001 0.000 0.358 1344 H C -1.852 173.196 175.328 -0.467 0.000 1.103 1344 H CA -0.728 55.097 56.048 -0.371 0.000 1.426 1344 H CB 1.214 30.830 29.762 -0.243 0.000 1.424 1344 H HN 0.298 nan 8.280 nan 0.000 0.599 1345 P HA -0.135 nan 4.420 nan 0.000 0.222 1345 P C 0.636 177.652 177.300 -0.472 0.000 1.147 1345 P CA 1.373 63.874 63.100 -0.997 0.000 0.790 1345 P CB -0.016 30.623 31.700 -1.770 0.000 0.780 1346 Y N 0.094 120.279 120.300 -0.191 0.000 2.403 1346 Y HA -0.109 4.440 4.550 -0.002 0.000 0.291 1346 Y C 1.551 177.432 175.900 -0.031 0.000 1.143 1346 Y CA 0.644 58.770 58.100 0.043 0.000 1.257 1346 Y CB -0.268 38.292 38.460 0.167 0.000 0.984 1346 Y HN 0.080 nan 8.280 nan 0.000 0.550 1347 E N -0.294 119.937 120.200 0.051 0.000 2.651 1347 E HA 0.155 4.504 4.350 -0.001 0.000 0.208 1347 E C 0.824 177.317 176.600 -0.178 0.000 0.997 1347 E CA -0.399 55.968 56.400 -0.054 0.000 1.020 1347 E CB 0.504 30.162 29.700 -0.070 0.000 1.052 1347 E HN 0.267 nan 8.360 nan 0.000 0.465 1348 G N 1.049 109.733 108.800 -0.193 0.000 2.614 1348 G HA2 0.129 4.089 3.960 -0.001 0.000 0.239 1348 G HA3 0.129 4.089 3.960 -0.001 0.000 0.239 1348 G C -0.236 174.550 174.900 -0.191 0.000 1.240 1348 G CA -0.046 44.901 45.100 -0.255 0.000 0.842 1348 G HN 0.048 nan 8.290 nan 0.000 0.584 1349 Q N -0.921 118.762 119.800 -0.194 0.000 2.345 1349 Q HA 0.482 4.822 4.340 -0.001 0.000 0.275 1349 Q C -1.243 174.800 176.000 0.071 0.000 1.063 1349 Q CA -0.628 55.143 55.803 -0.053 0.000 0.819 1349 Q CB 2.636 31.332 28.738 -0.070 0.000 1.356 1349 Q HN 0.435 nan 8.270 nan 0.000 0.418 1350 T N 1.829 116.449 114.554 0.110 0.000 3.317 1350 T HA 0.321 4.670 4.350 -0.001 0.000 0.361 1350 T C -0.838 174.025 174.700 0.272 0.000 1.499 1350 T CA -0.654 61.549 62.100 0.172 0.000 1.529 1350 T CB -0.095 68.840 68.868 0.111 0.000 0.997 1350 T HN 0.335 nan 8.240 nan 0.000 0.624 1351 N N 3.179 122.094 118.700 0.359 0.000 2.511 1351 N HA 0.334 5.073 4.740 -0.001 0.000 0.249 1351 N C -0.323 175.388 175.510 0.335 0.000 0.971 1351 N CA -0.479 52.738 53.050 0.279 0.000 0.938 1351 N CB 1.716 40.330 38.487 0.212 0.000 1.131 1351 N HN 0.477 nan 8.380 nan 0.000 0.505 1352 L N 1.439 122.818 121.223 0.260 0.000 2.410 1352 L HA 0.200 4.540 4.340 -0.001 0.000 0.273 1352 L C 0.609 177.598 176.870 0.200 0.000 1.144 1352 L CA 0.219 55.204 54.840 0.241 0.000 0.863 1352 L CB 0.200 42.366 42.059 0.178 0.000 1.140 1352 L HN 0.414 nan 8.230 nan 0.000 0.463 1353 E N 2.249 122.536 120.200 0.144 0.000 2.768 1353 E HA 0.098 4.447 4.350 -0.001 0.000 0.290 1353 E C -0.312 176.272 176.600 -0.026 0.000 1.100 1353 E CA -0.350 56.096 56.400 0.076 0.000 0.768 1353 E CB 0.471 30.200 29.700 0.049 0.000 1.501 1353 E HN 0.430 nan 8.360 nan 0.000 0.384 1354 Y N 3.105 123.289 120.300 -0.193 0.000 2.130 1354 Y HA -0.086 4.463 4.550 -0.001 0.000 0.287 1354 Y C 1.212 176.871 175.900 -0.401 0.000 1.124 1354 Y CA 1.861 59.625 58.100 -0.561 0.000 1.118 1354 Y CB 0.452 38.642 38.460 -0.450 0.000 0.994 1354 Y HN 0.426 nan 8.280 nan 0.000 0.497 1355 D N -0.056 120.266 120.400 -0.130 0.000 2.084 1355 D HA -0.140 4.499 4.640 -0.001 0.000 0.194 1355 D C 2.093 178.300 176.300 -0.155 0.000 0.990 1355 D CA 1.529 55.439 54.000 -0.150 0.000 0.826 1355 D CB -0.334 40.447 40.800 -0.032 0.000 0.971 1355 D HN 0.300 nan 8.370 nan 0.000 0.453 1356 R N -0.025 120.420 120.500 -0.091 0.000 2.280 1356 R HA 0.105 4.444 4.340 -0.001 0.000 0.207 1356 R C 1.092 177.349 176.300 -0.071 0.000 1.043 1356 R CA 0.406 56.467 56.100 -0.065 0.000 1.006 1356 R CB 0.321 30.602 30.300 -0.031 0.000 0.885 1356 R HN -0.070 nan 8.270 nan 0.000 0.467 1357 R N -0.521 119.927 120.500 -0.086 0.000 2.427 1357 R HA 0.186 4.525 4.340 -0.001 0.000 0.262 1357 R C 0.673 176.959 176.300 -0.023 0.000 0.943 1357 R CA 0.367 56.447 56.100 -0.034 0.000 1.081 1357 R CB 0.774 31.097 30.300 0.039 0.000 1.166 1357 R HN 0.371 nan 8.270 nan 0.000 0.534 1358 G N 0.059 108.778 108.800 -0.135 0.000 2.157 1358 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.239 1358 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.239 1358 G C 0.554 175.286 174.900 -0.280 0.000 0.982 1358 G CA -0.140 44.874 45.100 -0.143 0.000 0.650 1358 G HN 0.534 nan 8.290 nan 0.000 0.527 1359 G N -0.361 107.985 108.800 -0.756 0.000 2.305 1359 G HA2 0.497 4.457 3.960 -0.001 0.000 0.243 1359 G HA3 0.497 4.457 3.960 -0.001 0.000 0.243 1359 G C 0.376 174.632 174.900 -1.074 0.000 1.288 1359 G CA 0.484 44.471 45.100 -1.855 0.000 0.901 1359 G HN 1.026 nan 8.290 nan 0.000 0.516 1360 V N 2.443 121.961 119.914 -0.660 0.000 2.498 1360 V HA 0.479 4.598 4.120 -0.001 0.000 0.279 1360 V C 1.004 177.093 176.094 -0.008 0.000 1.048 1360 V CA -0.539 61.569 62.300 -0.320 0.000 0.967 1360 V CB 1.158 32.717 31.823 -0.440 0.000 0.988 1360 V HN 1.028 nan 8.190 nan 0.000 0.473 1361 A N 7.506 130.369 122.820 0.071 0.000 2.454 1361 A HA 0.523 4.842 4.320 -0.001 0.000 0.260 1361 A C -2.201 175.531 177.584 0.248 0.000 1.106 1361 A CA -0.998 51.137 52.037 0.163 0.000 0.780 1361 A CB -0.349 18.700 19.000 0.082 0.000 1.044 1361 A HN 0.701 nan 8.150 nan 0.000 0.498 1362 P HA 0.208 nan 4.420 nan 0.000 0.269 1362 P C -2.194 175.158 177.300 0.087 0.000 1.209 1362 P CA -0.489 62.719 63.100 0.181 0.000 0.776 1362 P CB -0.041 31.698 31.700 0.065 0.000 0.876 1363 P HA 0.190 nan 4.420 nan 0.000 0.281 1363 P C -1.400 175.947 177.300 0.078 0.000 1.252 1363 P CA -0.130 62.964 63.100 -0.011 0.000 0.778 1363 P CB 0.303 31.990 31.700 -0.022 0.000 0.895 1364 Y N 0.112 120.430 120.300 0.030 0.000 2.605 1364 Y HA 0.596 5.145 4.550 -0.001 0.000 0.343 1364 Y C 0.666 176.585 175.900 0.032 0.000 1.036 1364 Y CA -1.091 57.027 58.100 0.030 0.000 1.065 1364 Y CB 1.418 39.902 38.460 0.041 0.000 1.288 1364 Y HN -0.017 nan 8.280 nan 0.000 0.481 1365 K N 0.070 120.641 120.400 0.285 0.000 2.370 1365 K HA 0.252 4.571 4.320 -0.001 0.000 0.194 1365 K C -0.439 176.302 176.600 0.236 0.000 1.070 1365 K CA 0.380 56.775 56.287 0.179 0.000 0.998 1365 K CB 0.651 33.205 32.500 0.090 0.000 0.911 1365 K HN 0.734 nan 8.250 nan 0.000 0.533 1366 Q N 0.691 120.649 119.800 0.263 0.000 2.331 1366 Q HA 0.375 4.714 4.340 -0.001 0.000 0.272 1366 Q C -0.400 175.593 176.000 -0.013 0.000 1.062 1366 Q CA -0.581 55.288 55.803 0.111 0.000 0.806 1366 Q CB 2.576 31.319 28.738 0.008 0.000 1.312 1366 Q HN 0.013 nan 8.270 nan 0.000 0.431 1367 L N 1.153 122.336 121.223 -0.066 0.000 2.479 1367 L HA 0.098 4.437 4.340 -0.001 0.000 0.270 1367 L C 0.539 177.301 176.870 -0.180 0.000 1.236 1367 L CA 0.237 54.974 54.840 -0.171 0.000 0.823 1367 L CB 0.213 42.217 42.059 -0.091 0.000 1.098 1367 L HN 0.524 nan 8.230 nan 0.000 0.500 1368 D N 0.455 120.766 120.400 -0.148 0.000 2.349 1368 D HA 0.180 4.819 4.640 -0.001 0.000 0.232 1368 D C -0.002 176.234 176.300 -0.106 0.000 1.071 1368 D CA -0.274 53.645 54.000 -0.134 0.000 0.832 1368 D CB 1.932 42.670 40.800 -0.103 0.000 1.086 1368 D HN 0.134 nan 8.370 nan 0.000 0.504 1369 V N 3.363 123.142 119.914 -0.224 0.000 3.621 1369 V HA -0.055 4.064 4.120 -0.001 0.000 0.285 1369 V C 2.024 178.113 176.094 -0.008 0.000 1.346 1369 V CA 1.094 63.218 62.300 -0.294 0.000 1.104 1369 V CB -0.028 31.237 31.823 -0.929 0.000 0.913 1369 V HN 0.674 nan 8.190 nan 0.000 0.432 1370 S N -0.964 114.745 115.700 0.014 0.000 2.461 1370 S HA -0.056 4.413 4.470 -0.001 0.000 0.228 1370 S C 0.969 175.665 174.600 0.160 0.000 1.005 1370 S CA 1.191 59.443 58.200 0.086 0.000 0.942 1370 S CB 0.250 63.458 63.200 0.012 0.000 0.776 1370 S HN 0.636 nan 8.310 nan 0.000 0.514 1371 D N 0.544 121.024 120.400 0.134 0.000 3.368 1371 D HA 0.471 5.111 4.640 -0.001 0.000 0.189 1371 D C 0.405 176.729 176.300 0.040 0.000 1.279 1371 D CA 0.184 54.192 54.000 0.014 0.000 1.206 1371 D CB 0.078 40.846 40.800 -0.054 0.000 1.136 1371 D HN 0.248 nan 8.370 nan 0.000 0.490 1372 G N -0.790 107.939 108.800 -0.118 0.000 2.365 1372 G HA2 0.328 4.287 3.960 -0.001 0.000 0.249 1372 G HA3 0.328 4.287 3.960 -0.001 0.000 0.249 1372 G C -0.424 174.164 174.900 -0.521 0.000 1.288 1372 G CA 0.413 45.245 45.100 -0.446 0.000 0.887 1372 G HN 0.556 nan 8.290 nan 0.000 0.524 1373 Y N 0.000 119.730 120.300 -0.950 0.000 2.779 1373 Y HA 0.647 5.197 4.550 -0.001 0.000 0.251 1373 Y C 0.176 175.259 175.900 -1.363 0.000 1.145 1373 Y CA -0.547 57.032 58.100 -0.869 0.000 1.201 1373 Y CB 0.228 38.490 38.460 -0.330 0.000 1.281 1373 Y HN 0.598 nan 8.280 nan 0.000 0.563 1374 S N -0.725 113.692 115.700 -2.138 0.000 2.547 1374 S HA 0.241 4.711 4.470 -0.001 0.000 0.270 1374 S C -1.216 172.838 174.600 -0.911 0.000 1.150 1374 S CA -0.710 56.735 58.200 -1.258 0.000 0.850 1374 S CB 0.263 63.097 63.200 -0.609 0.000 1.118 1374 S HN 0.429 nan 8.310 nan 0.000 0.461 1375 W N 2.091 123.382 121.300 -0.015 0.000 3.180 1375 W HA 0.312 4.971 4.660 -0.001 0.000 0.254 1375 W C 0.013 176.648 176.519 0.194 0.000 1.318 1375 W CA -0.420 57.052 57.345 0.210 0.000 1.608 1375 W CB 0.203 29.832 29.460 0.282 0.000 1.124 1375 W HN 0.292 nan 8.180 nan 0.000 0.694 1376 L N 1.504 122.840 121.223 0.189 0.000 2.331 1376 L HA 0.147 4.486 4.340 -0.001 0.000 0.278 1376 L C 0.715 177.594 176.870 0.014 0.000 1.106 1376 L CA -0.196 54.693 54.840 0.081 0.000 0.824 1376 L CB 0.268 42.309 42.059 -0.030 0.000 1.142 1376 L HN -0.181 nan 8.230 nan 0.000 0.443 1377 K N 1.826 122.195 120.400 -0.052 0.000 2.286 1377 K HA 0.456 4.775 4.320 -0.001 0.000 0.256 1377 K C -0.103 176.403 176.600 -0.158 0.000 0.999 1377 K CA -0.210 55.981 56.287 -0.160 0.000 0.908 1377 K CB 0.381 32.726 32.500 -0.260 0.000 0.981 1377 K HN 0.693 nan 8.250 nan 0.000 0.500 1378 A N 3.314 126.058 122.820 -0.128 0.000 2.412 1378 A HA 0.361 4.681 4.320 -0.001 0.000 0.334 1378 A C -2.454 175.075 177.584 -0.092 0.000 1.419 1378 A CA -1.713 50.263 52.037 -0.102 0.000 0.930 1378 A CB 0.250 19.220 19.000 -0.050 0.000 1.149 1378 A HN 0.322 nan 8.150 nan 0.000 0.515 1379 P HA 0.463 nan 4.420 nan 0.000 0.279 1379 P C -0.492 176.669 177.300 -0.232 0.000 1.239 1379 P CA -0.254 62.491 63.100 -0.591 0.000 0.789 1379 P CB 0.897 31.618 31.700 -1.631 0.000 0.933 1380 R N 1.600 122.141 120.500 0.069 0.000 2.771 1380 R HA 0.394 4.733 4.340 -0.001 0.000 0.274 1380 R C -1.619 175.060 176.300 0.632 0.000 0.987 1380 R CA -0.574 55.777 56.100 0.417 0.000 0.908 1380 R CB 1.639 32.117 30.300 0.296 0.000 1.213 1380 R HN 0.577 nan 8.270 nan 0.000 0.468 1381 W N 3.777 125.355 121.300 0.463 0.000 2.318 1381 W HA 0.299 4.958 4.660 -0.001 0.000 0.315 1381 W C -0.088 176.552 176.519 0.201 0.000 1.033 1381 W CA -0.516 57.039 57.345 0.350 0.000 1.275 1381 W CB 0.658 30.246 29.460 0.213 0.000 1.250 1381 W HN 0.660 nan 8.180 nan 0.000 0.421 1382 K N 4.912 125.105 120.400 -0.346 0.000 3.071 1382 K HA -0.238 4.081 4.320 -0.001 0.000 0.262 1382 K C 1.045 177.596 176.600 -0.082 0.000 0.977 1382 K CA 1.133 57.215 56.287 -0.342 0.000 0.721 1382 K CB -1.448 30.619 32.500 -0.722 0.000 1.293 1382 K HN 1.195 nan 8.250 nan 0.000 0.475 1383 G N -0.336 108.496 108.800 0.052 0.000 2.212 1383 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.266 1383 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.266 1383 G C 0.089 175.017 174.900 0.047 0.000 0.978 1383 G CA 0.731 45.853 45.100 0.037 0.000 0.632 1383 G HN 0.416 nan 8.290 nan 0.000 0.537 1384 R N 0.679 121.261 120.500 0.138 0.000 2.428 1384 R HA 0.578 4.917 4.340 -0.001 0.000 0.294 1384 R C 0.151 176.575 176.300 0.206 0.000 1.000 1384 R CA -0.266 55.925 56.100 0.152 0.000 0.960 1384 R CB 1.167 31.587 30.300 0.200 0.000 1.076 1384 R HN 0.156 nan 8.270 nan 0.000 0.475 1385 S N 1.653 117.426 115.700 0.121 0.000 2.533 1385 S HA 0.219 4.688 4.470 -0.001 0.000 0.282 1385 S C -0.015 174.638 174.600 0.089 0.000 1.304 1385 S CA -0.633 57.641 58.200 0.124 0.000 1.063 1385 S CB 0.655 63.880 63.200 0.040 0.000 0.881 1385 S HN 0.413 nan 8.310 nan 0.000 0.493 1386 V N 1.378 121.359 119.914 0.112 0.000 3.102 1386 V HA 0.731 4.850 4.120 -0.001 0.000 0.312 1386 V C -0.643 175.389 176.094 -0.102 0.000 1.135 1386 V CA -1.117 61.133 62.300 -0.083 0.000 1.022 1386 V CB 1.945 33.659 31.823 -0.182 0.000 1.056 1386 V HN 0.804 nan 8.190 nan 0.000 0.436 1387 E N 1.050 121.086 120.200 -0.274 0.000 2.179 1387 E HA 0.707 5.057 4.350 -0.001 0.000 0.275 1387 E C -0.812 175.759 176.600 -0.050 0.000 0.945 1387 E CA -0.771 55.581 56.400 -0.080 0.000 0.792 1387 E CB 2.129 31.795 29.700 -0.058 0.000 1.125 1387 E HN 1.083 nan 8.360 nan 0.000 0.397 1388 V N 0.844 120.772 119.914 0.023 0.000 3.103 1388 V HA 1.017 5.136 4.120 -0.001 0.000 0.318 1388 V C 0.450 176.582 176.094 0.064 0.000 1.114 1388 V CA 0.224 62.488 62.300 -0.059 0.000 1.020 1388 V CB 0.901 32.573 31.823 -0.252 0.000 1.085 1388 V HN 1.039 nan 8.190 nan 0.000 0.446 1389 G N 1.409 110.203 108.800 -0.011 0.000 2.352 1389 G HA2 0.032 3.991 3.960 -0.001 0.000 0.324 1389 G HA3 0.032 3.991 3.960 -0.001 0.000 0.324 1389 G C -2.602 172.281 174.900 -0.028 0.000 1.249 1389 G CA -0.003 45.103 45.100 0.010 0.000 1.053 1389 G HN 0.626 nan 8.290 nan 0.000 0.492 1390 P HA -0.017 nan 4.420 nan 0.000 0.215 1390 P C 2.249 179.493 177.300 -0.093 0.000 1.153 1390 P CA 1.404 64.474 63.100 -0.051 0.000 0.853 1390 P CB 0.081 31.739 31.700 -0.070 0.000 0.788 1391 L N -0.244 120.931 121.223 -0.080 0.000 2.046 1391 L HA -0.081 4.258 4.340 -0.001 0.000 0.208 1391 L C 2.218 178.952 176.870 -0.227 0.000 1.077 1391 L CA 1.987 56.734 54.840 -0.155 0.000 0.747 1391 L CB -1.643 40.361 42.059 -0.092 0.000 0.896 1391 L HN -0.118 nan 8.230 nan 0.000 0.432 1392 A N -0.648 122.147 122.820 -0.042 0.000 1.933 1392 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 1392 A C 2.458 179.971 177.584 -0.119 0.000 1.175 1392 A CA 1.741 53.769 52.037 -0.016 0.000 0.628 1392 A CB -0.486 18.588 19.000 0.124 0.000 0.814 1392 A HN 0.485 nan 8.150 nan 0.000 0.444 1393 R N -0.939 119.470 120.500 -0.151 0.000 2.073 1393 R HA -0.029 4.310 4.340 -0.001 0.000 0.229 1393 R C 2.043 178.283 176.300 -0.100 0.000 1.120 1393 R CA 1.352 57.339 56.100 -0.187 0.000 0.967 1393 R CB -0.420 29.614 30.300 -0.442 0.000 0.862 1393 R HN 0.384 nan 8.270 nan 0.000 0.436 1394 V N 1.572 121.415 119.914 -0.119 0.000 2.427 1394 V HA -0.198 3.921 4.120 -0.001 0.000 0.248 1394 V C 2.255 178.292 176.094 -0.095 0.000 1.051 1394 V CA 1.483 63.732 62.300 -0.085 0.000 1.048 1394 V CB -0.358 31.393 31.823 -0.120 0.000 0.666 1394 V HN 0.267 nan 8.190 nan 0.000 0.456 1395 L N -1.330 119.770 121.223 -0.206 0.000 2.042 1395 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 1395 L C 2.504 179.359 176.870 -0.025 0.000 1.076 1395 L CA 1.684 56.407 54.840 -0.195 0.000 0.749 1395 L CB -0.567 41.237 42.059 -0.424 0.000 0.893 1395 L HN 0.325 nan 8.230 nan 0.000 0.432 1396 M N -0.335 119.250 119.600 -0.025 0.000 2.117 1396 M HA -0.157 4.322 4.480 -0.001 0.000 0.262 1396 M C 2.099 178.446 176.300 0.078 0.000 1.065 1396 M CA 1.775 57.097 55.300 0.037 0.000 1.114 1396 M CB -0.328 32.292 32.600 0.034 0.000 1.361 1396 M HN 0.077 nan 8.290 nan 0.000 0.408 1397 L N -2.220 119.053 121.223 0.083 0.000 2.046 1397 L HA -0.243 4.096 4.340 -0.001 0.000 0.208 1397 L C 2.333 179.287 176.870 0.141 0.000 1.077 1397 L CA 1.471 56.371 54.840 0.100 0.000 0.747 1397 L CB -0.834 41.240 42.059 0.024 0.000 0.896 1397 L HN 0.289 nan 8.230 nan 0.000 0.432 1398 Y N 0.366 120.668 120.300 0.002 0.000 2.114 1398 Y HA -0.317 4.232 4.550 -0.002 0.000 0.284 1398 Y C 2.545 178.452 175.900 0.012 0.000 1.143 1398 Y CA 1.600 59.701 58.100 0.001 0.000 1.135 1398 Y CB -0.153 38.278 38.460 -0.048 0.000 0.980 1398 Y HN 0.134 nan 8.280 nan 0.000 0.499 1399 A N -0.895 122.014 122.820 0.148 0.000 1.972 1399 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 1399 A C 1.995 179.587 177.584 0.014 0.000 1.169 1399 A CA 2.119 54.202 52.037 0.076 0.000 0.635 1399 A CB -1.287 17.770 19.000 0.094 0.000 0.810 1399 A HN 0.560 nan 8.150 nan 0.000 0.446 1400 T N -4.366 110.208 114.554 0.032 0.000 3.163 1400 T HA 0.431 4.780 4.350 -0.001 0.000 0.252 1400 T C 1.153 175.860 174.700 0.013 0.000 1.056 1400 T CA 0.885 63.003 62.100 0.031 0.000 0.947 1400 T CB -0.035 68.873 68.868 0.066 0.000 1.016 1400 T HN 1.678 nan 8.240 nan 0.000 0.554 1401 G N 1.520 110.298 108.800 -0.037 0.000 2.147 1401 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.244 1401 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.244 1401 G C -0.124 174.768 174.900 -0.014 0.000 1.005 1401 G CA 0.098 45.159 45.100 -0.065 0.000 0.713 1401 G HN 0.958 nan 8.290 nan 0.000 0.515 1402 H N 0.655 119.697 119.070 -0.047 0.000 2.975 1402 H HA 0.364 4.919 4.556 -0.002 0.000 0.303 1402 H C 1.379 176.684 175.328 -0.040 0.000 1.023 1402 H CA 0.532 56.566 56.048 -0.024 0.000 1.473 1402 H CB 0.600 30.370 29.762 0.014 0.000 1.498 1402 H HN 0.129 nan 8.280 nan 0.000 0.549 1403 D N 3.299 123.510 120.400 -0.316 0.000 2.097 1403 D HA -0.194 4.445 4.640 -0.001 0.000 0.197 1403 D C 1.848 178.091 176.300 -0.095 0.000 0.984 1403 D CA 1.197 55.089 54.000 -0.180 0.000 0.826 1403 D CB -0.053 40.635 40.800 -0.187 0.000 0.973 1403 D HN 0.794 nan 8.370 nan 0.000 0.460 1404 Q N 0.375 120.089 119.800 -0.143 0.000 2.084 1404 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 1404 Q C 2.020 178.121 176.000 0.169 0.000 0.978 1404 Q CA 1.524 57.347 55.803 0.033 0.000 0.844 1404 Q CB -0.041 28.737 28.738 0.066 0.000 0.898 1404 Q HN 0.169 nan 8.270 nan 0.000 0.426 1405 A N 0.693 123.758 122.820 0.409 0.000 1.933 1405 A HA -0.212 4.107 4.320 -0.001 0.000 0.218 1405 A C 2.079 179.792 177.584 0.215 0.000 1.175 1405 A CA 1.612 53.800 52.037 0.251 0.000 0.628 1405 A CB -0.484 18.641 19.000 0.208 0.000 0.814 1405 A HN 0.303 nan 8.150 nan 0.000 0.444 1406 R N -0.398 120.206 120.500 0.174 0.000 2.073 1406 R HA -0.098 4.242 4.340 -0.001 0.000 0.234 1406 R C 2.182 178.564 176.300 0.138 0.000 1.134 1406 R CA 1.777 57.961 56.100 0.140 0.000 0.952 1406 R CB -0.373 29.882 30.300 -0.076 0.000 0.850 1406 R HN 0.742 nan 8.270 nan 0.000 0.433 1407 E N -0.191 120.048 120.200 0.065 0.000 2.077 1407 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 1407 E C 1.774 178.394 176.600 0.034 0.000 0.989 1407 E CA 1.270 57.691 56.400 0.035 0.000 0.800 1407 E CB -0.031 29.673 29.700 0.007 0.000 0.746 1407 E HN 0.276 nan 8.360 nan 0.000 0.452 1408 L N -0.182 121.064 121.223 0.037 0.000 2.056 1408 L HA -0.155 4.184 4.340 -0.001 0.000 0.207 1408 L C 2.467 179.330 176.870 -0.011 0.000 1.078 1408 L CA 0.582 55.422 54.840 0.000 0.000 0.749 1408 L CB -0.288 41.767 42.059 -0.008 0.000 0.901 1408 L HN 0.095 nan 8.230 nan 0.000 0.433 1409 V N -0.086 119.843 119.914 0.024 0.000 2.261 1409 V HA -0.299 3.820 4.120 -0.001 0.000 0.246 1409 V C 2.160 178.237 176.094 -0.028 0.000 1.047 1409 V CA 1.978 64.254 62.300 -0.041 0.000 1.015 1409 V CB -0.511 31.251 31.823 -0.102 0.000 0.642 1409 V HN 0.438 nan 8.190 nan 0.000 0.446 1410 D N 0.480 120.921 120.400 0.068 0.000 2.104 1410 D HA -0.153 4.486 4.640 -0.001 0.000 0.194 1410 D C 2.427 178.727 176.300 0.001 0.000 0.994 1410 D CA 1.972 56.002 54.000 0.050 0.000 0.830 1410 D CB -0.421 40.430 40.800 0.086 0.000 0.959 1410 D HN 0.601 nan 8.370 nan 0.000 0.452 1411 S N -0.414 115.282 115.700 -0.007 0.000 2.406 1411 S HA -0.101 4.368 4.470 -0.001 0.000 0.228 1411 S C 2.023 176.595 174.600 -0.047 0.000 1.020 1411 S CA 1.359 59.543 58.200 -0.026 0.000 0.965 1411 S CB -0.544 62.640 63.200 -0.027 0.000 0.798 1411 S HN 0.111 nan 8.310 nan 0.000 0.488 1412 T N 3.093 117.610 114.554 -0.062 0.000 2.708 1412 T HA 0.112 4.461 4.350 -0.001 0.000 0.266 1412 T C 1.722 176.374 174.700 -0.080 0.000 1.037 1412 T CA 1.531 63.581 62.100 -0.084 0.000 1.146 1412 T CB -0.523 68.280 68.868 -0.110 0.000 0.865 1412 T HN 0.314 nan 8.240 nan 0.000 0.435 1413 L N 1.036 122.212 121.223 -0.078 0.000 2.093 1413 L HA -0.083 4.256 4.340 -0.001 0.000 0.208 1413 L C 2.891 179.729 176.870 -0.053 0.000 1.085 1413 L CA 1.194 55.990 54.840 -0.074 0.000 0.755 1413 L CB -0.593 41.418 42.059 -0.080 0.000 0.904 1413 L HN 0.323 nan 8.230 nan 0.000 0.435 1414 S N 0.162 115.836 115.700 -0.043 0.000 2.368 1414 S HA -0.178 4.291 4.470 -0.001 0.000 0.224 1414 S C 2.147 176.722 174.600 -0.042 0.000 1.029 1414 S CA 0.979 59.158 58.200 -0.035 0.000 0.988 1414 S CB -0.107 63.079 63.200 -0.024 0.000 0.838 1414 S HN 0.330 nan 8.310 nan 0.000 0.462 1415 R N 0.313 120.783 120.500 -0.050 0.000 2.091 1415 R HA 0.038 4.377 4.340 -0.001 0.000 0.238 1415 R C 2.196 178.458 176.300 -0.063 0.000 1.136 1415 R CA 1.627 57.694 56.100 -0.055 0.000 0.959 1415 R CB -0.533 29.730 30.300 -0.062 0.000 0.856 1415 R HN 0.441 nan 8.270 nan 0.000 0.437 1416 L N 0.333 121.517 121.223 -0.065 0.000 2.554 1416 L HA 0.008 4.347 4.340 -0.001 0.000 0.226 1416 L C 0.077 176.912 176.870 -0.059 0.000 1.137 1416 L CA 0.076 54.876 54.840 -0.068 0.000 0.863 1416 L CB -0.285 41.734 42.059 -0.066 0.000 0.985 1416 L HN 0.213 nan 8.230 nan 0.000 0.451 1417 D N 0.879 121.248 120.400 -0.051 0.000 2.705 1417 D HA -0.200 4.439 4.640 -0.001 0.000 0.240 1417 D C -0.654 175.624 176.300 -0.036 0.000 1.137 1417 D CA 0.654 54.629 54.000 -0.041 0.000 0.677 1417 D CB -0.968 39.807 40.800 -0.043 0.000 1.049 1417 D HN 0.149 nan 8.370 nan 0.000 0.427 1418 L N 0.037 121.238 121.223 -0.037 0.000 2.323 1418 L HA 0.732 5.072 4.340 -0.001 0.000 0.265 1418 L C -1.756 175.096 176.870 -0.030 0.000 1.012 1418 L CA -1.857 52.964 54.840 -0.032 0.000 0.820 1418 L CB 1.962 43.998 42.059 -0.038 0.000 1.334 1418 L HN -0.049 nan 8.230 nan 0.000 0.427 1419 P HA 0.172 nan 4.420 nan 0.000 0.280 1419 P C 0.692 177.978 177.300 -0.024 0.000 1.272 1419 P CA -0.508 62.586 63.100 -0.011 0.000 0.819 1419 P CB 1.482 33.186 31.700 0.006 0.000 1.122 1420 V N 0.816 120.718 119.914 -0.021 0.000 2.469 1420 V HA -0.224 3.895 4.120 -0.001 0.000 0.251 1420 V C 2.160 178.250 176.094 -0.006 0.000 1.064 1420 V CA 2.469 64.730 62.300 -0.065 0.000 1.066 1420 V CB -1.363 30.444 31.823 -0.028 0.000 0.667 1420 V HN 0.727 nan 8.190 nan 0.000 0.461 1421 D N 0.837 121.292 120.400 0.090 0.000 2.348 1421 D HA -0.087 4.552 4.640 -0.001 0.000 0.216 1421 D C 1.829 178.231 176.300 0.170 0.000 0.970 1421 D CA 1.083 55.218 54.000 0.226 0.000 0.889 1421 D CB 0.193 41.099 40.800 0.176 0.000 0.912 1421 D HN 0.451 nan 8.370 nan 0.000 0.524 1422 A N 0.819 123.665 122.820 0.043 0.000 2.172 1422 A HA 0.020 4.339 4.320 -0.001 0.000 0.216 1422 A C 2.437 179.989 177.584 -0.053 0.000 1.154 1422 A CA 0.180 52.225 52.037 0.014 0.000 0.701 1422 A CB -0.629 18.364 19.000 -0.010 0.000 0.789 1422 A HN 0.290 nan 8.150 nan 0.000 0.465 1423 L N -1.897 119.217 121.223 -0.181 0.000 2.131 1423 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 1423 L C 0.558 177.225 176.870 -0.338 0.000 1.092 1423 L CA 0.712 55.330 54.840 -0.370 0.000 0.759 1423 L CB -0.525 41.132 42.059 -0.669 0.000 0.903 1423 L HN 0.482 nan 8.230 nan 0.000 0.435 1424 Y N 0.879 121.160 120.300 -0.031 0.000 2.623 1424 Y HA 0.182 4.731 4.550 -0.001 0.000 0.341 1424 Y C 0.642 176.592 175.900 0.082 0.000 1.292 1424 Y CA -0.374 57.759 58.100 0.054 0.000 1.840 1424 Y CB -0.207 38.307 38.460 0.091 0.000 1.865 1424 Y HN 0.103 nan 8.280 nan 0.000 0.440 1425 S N -2.179 113.618 115.700 0.161 0.000 2.627 1425 S HA 0.186 4.656 4.470 -0.001 0.000 0.268 1425 S C 0.429 175.107 174.600 0.130 0.000 1.130 1425 S CA -0.711 57.583 58.200 0.155 0.000 0.819 1425 S CB 1.041 64.318 63.200 0.128 0.000 1.100 1425 S HN 0.146 nan 8.310 nan 0.000 0.465 1426 T N 1.362 116.050 114.554 0.223 0.000 2.720 1426 T HA -0.042 4.307 4.350 -0.001 0.000 0.268 1426 T C 1.690 176.531 174.700 0.235 0.000 1.037 1426 T CA 1.635 63.899 62.100 0.275 0.000 1.144 1426 T CB -0.570 68.641 68.868 0.572 0.000 0.864 1426 T HN 0.491 nan 8.240 nan 0.000 0.444 1427 L N 0.449 121.811 121.223 0.233 0.000 2.017 1427 L HA -0.050 4.289 4.340 -0.001 0.000 0.208 1427 L C 2.809 179.679 176.870 0.000 0.000 1.073 1427 L CA 1.691 56.587 54.840 0.093 0.000 0.745 1427 L CB -0.903 41.213 42.059 0.095 0.000 0.894 1427 L HN 0.399 nan 8.230 nan 0.000 0.432 1428 G N -0.844 107.947 108.800 -0.015 0.000 2.432 1428 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.219 1428 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.219 1428 G C 1.703 176.534 174.900 -0.116 0.000 1.135 1428 G CA 0.679 45.718 45.100 -0.101 0.000 0.767 1428 G HN 0.312 nan 8.290 nan 0.000 0.550 1429 R N -0.306 120.147 120.500 -0.079 0.000 2.075 1429 R HA -0.052 4.287 4.340 -0.001 0.000 0.232 1429 R C 2.613 178.876 176.300 -0.061 0.000 1.126 1429 R CA 1.807 57.846 56.100 -0.102 0.000 0.963 1429 R CB -0.396 29.808 30.300 -0.161 0.000 0.858 1429 R HN 0.311 nan 8.270 nan 0.000 0.435 1430 T N 0.472 115.034 114.554 0.013 0.000 2.777 1430 T HA -0.047 4.302 4.350 -0.001 0.000 0.266 1430 T C 1.784 176.454 174.700 -0.049 0.000 1.040 1430 T CA 1.205 63.358 62.100 0.088 0.000 1.141 1430 T CB -0.232 68.722 68.868 0.143 0.000 0.868 1430 T HN 0.428 nan 8.240 nan 0.000 0.444 1431 A N 1.601 124.352 122.820 -0.115 0.000 1.902 1431 A HA 0.122 4.441 4.320 -0.001 0.000 0.217 1431 A C 2.657 180.133 177.584 -0.180 0.000 1.181 1431 A CA 1.885 53.813 52.037 -0.182 0.000 0.623 1431 A CB -1.172 17.725 19.000 -0.171 0.000 0.818 1431 A HN 0.498 nan 8.150 nan 0.000 0.443 1432 A N -0.238 122.490 122.820 -0.154 0.000 1.908 1432 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 1432 A C 2.241 179.754 177.584 -0.119 0.000 1.181 1432 A CA 1.938 53.889 52.037 -0.143 0.000 0.627 1432 A CB -0.570 18.340 19.000 -0.152 0.000 0.818 1432 A HN 0.585 nan 8.150 nan 0.000 0.445 1433 R N -0.406 120.009 120.500 -0.140 0.000 2.096 1433 R HA -0.177 4.162 4.340 -0.001 0.000 0.240 1433 R C 2.278 178.512 176.300 -0.111 0.000 1.139 1433 R CA 1.748 57.716 56.100 -0.220 0.000 0.952 1433 R CB -0.436 29.706 30.300 -0.264 0.000 0.854 1433 R HN 0.459 nan 8.270 nan 0.000 0.436 1434 A N 0.909 123.599 122.820 -0.218 0.000 1.873 1434 A HA -0.088 4.231 4.320 -0.001 0.000 0.215 1434 A C 2.233 179.630 177.584 -0.311 0.000 1.186 1434 A CA 1.164 52.870 52.037 -0.551 0.000 0.616 1434 A CB -0.509 17.937 19.000 -0.924 0.000 0.823 1434 A HN 0.343 nan 8.150 nan 0.000 0.442 1435 L N -0.056 121.041 121.223 -0.209 0.000 2.046 1435 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 1435 L C 2.718 179.577 176.870 -0.018 0.000 1.077 1435 L CA 1.965 56.733 54.840 -0.120 0.000 0.747 1435 L CB -0.772 41.226 42.059 -0.102 0.000 0.896 1435 L HN 0.748 nan 8.230 nan 0.000 0.432 1436 E N -0.226 120.004 120.200 0.051 0.000 2.208 1436 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 1436 E C 2.018 178.751 176.600 0.221 0.000 0.988 1436 E CA 1.198 57.698 56.400 0.166 0.000 0.828 1436 E CB -0.138 29.709 29.700 0.246 0.000 0.763 1436 E HN 0.292 nan 8.360 nan 0.000 0.478 1437 S N 1.171 117.030 115.700 0.266 0.000 2.370 1437 S HA -0.191 4.278 4.470 -0.001 0.000 0.226 1437 S C 1.798 176.480 174.600 0.136 0.000 1.033 1437 S CA 1.676 60.051 58.200 0.291 0.000 1.011 1437 S CB -0.236 63.210 63.200 0.409 0.000 0.852 1437 S HN 0.205 nan 8.310 nan 0.000 0.457 1438 K N 1.863 122.289 120.400 0.043 0.000 2.057 1438 K HA 0.086 4.405 4.320 -0.001 0.000 0.206 1438 K C 1.705 178.305 176.600 0.001 0.000 1.050 1438 K CA 1.260 57.547 56.287 -0.000 0.000 0.935 1438 K CB -0.664 31.805 32.500 -0.052 0.000 0.715 1438 K HN 0.385 nan 8.250 nan 0.000 0.439 1439 I N 0.208 120.783 120.570 0.010 0.000 2.252 1439 I HA -0.244 3.925 4.170 -0.001 0.000 0.245 1439 I C 2.129 178.201 176.117 -0.076 0.000 1.102 1439 I CA 1.005 62.293 61.300 -0.020 0.000 1.385 1439 I CB -0.142 37.842 38.000 -0.027 0.000 1.064 1439 I HN 0.115 nan 8.210 nan 0.000 0.414 1440 L N -0.427 120.770 121.223 -0.043 0.000 2.072 1440 L HA -0.146 4.193 4.340 -0.001 0.000 0.205 1440 L C 2.552 179.384 176.870 -0.063 0.000 1.079 1440 L CA 0.702 55.497 54.840 -0.076 0.000 0.752 1440 L CB -0.335 41.708 42.059 -0.026 0.000 0.906 1440 L HN 0.072 nan 8.230 nan 0.000 0.436 1441 V N 0.068 119.983 119.914 0.001 0.000 2.407 1441 V HA -0.284 3.835 4.120 -0.001 0.000 0.248 1441 V C 1.925 177.986 176.094 -0.054 0.000 1.055 1441 V CA 2.018 64.324 62.300 0.011 0.000 1.049 1441 V CB -0.276 31.591 31.823 0.072 0.000 0.662 1441 V HN 0.461 nan 8.190 nan 0.000 0.455 1442 D N 0.440 120.791 120.400 -0.081 0.000 2.178 1442 D HA -0.083 4.557 4.640 -0.001 0.000 0.202 1442 D C 2.131 178.294 176.300 -0.228 0.000 0.974 1442 D CA 1.488 55.419 54.000 -0.115 0.000 0.841 1442 D CB -0.311 40.435 40.800 -0.090 0.000 0.953 1442 D HN 0.529 nan 8.370 nan 0.000 0.478 1443 A N 0.657 123.259 122.820 -0.364 0.000 2.014 1443 A HA -0.103 4.216 4.320 -0.001 0.000 0.218 1443 A C 2.110 179.106 177.584 -0.981 0.000 1.163 1443 A CA 0.783 52.372 52.037 -0.746 0.000 0.652 1443 A CB -0.345 18.064 19.000 -0.985 0.000 0.808 1443 A HN 0.070 nan 8.150 nan 0.000 0.449 1444 M N -0.943 118.357 119.600 -0.500 0.000 2.108 1444 M HA -0.208 4.272 4.480 -0.001 0.000 0.261 1444 M C 2.262 178.560 176.300 -0.003 0.000 1.066 1444 M CA 1.943 57.181 55.300 -0.105 0.000 1.107 1444 M CB -1.119 31.516 32.600 0.058 0.000 1.356 1444 M HN 0.551 nan 8.290 nan 0.000 0.406 1445 Q N 0.157 119.920 119.800 -0.062 0.000 2.124 1445 Q HA -0.062 4.277 4.340 -0.001 0.000 0.202 1445 Q C 1.988 178.015 176.000 0.045 0.000 0.977 1445 Q CA 2.100 57.924 55.803 0.036 0.000 0.850 1445 Q CB -0.764 27.974 28.738 0.000 0.000 0.901 1445 Q HN 0.550 nan 8.270 nan 0.000 0.429 1446 G N -0.905 107.808 108.800 -0.145 0.000 2.408 1446 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.217 1446 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.217 1446 G C 0.891 175.795 174.900 0.006 0.000 1.150 1446 G CA 0.637 45.655 45.100 -0.136 0.000 0.776 1446 G HN 0.352 nan 8.290 nan 0.000 0.542 1447 W N -0.365 120.991 121.300 0.093 0.000 2.453 1447 W HA 0.111 4.770 4.660 -0.002 0.000 0.289 1447 W C 2.124 178.714 176.519 0.118 0.000 1.215 1447 W CA 0.280 57.673 57.345 0.080 0.000 1.297 1447 W CB -1.202 28.299 29.460 0.068 0.000 1.113 1447 W HN 0.320 nan 8.180 nan 0.000 0.551 1448 Y N 2.335 122.812 120.300 0.295 0.000 2.097 1448 Y HA -0.275 4.274 4.550 -0.002 0.000 0.282 1448 Y C 2.067 178.059 175.900 0.153 0.000 1.152 1448 Y CA 2.391 60.628 58.100 0.228 0.000 1.136 1448 Y CB -0.583 38.012 38.460 0.225 0.000 0.975 1448 Y HN -0.231 nan 8.280 nan 0.000 0.498 1449 D N -0.419 120.096 120.400 0.191 0.000 2.144 1449 D HA -0.140 4.499 4.640 -0.001 0.000 0.199 1449 D C 2.307 178.608 176.300 0.001 0.000 0.984 1449 D CA 1.489 55.528 54.000 0.065 0.000 0.834 1449 D CB -0.819 40.047 40.800 0.109 0.000 0.955 1449 D HN 0.558 nan 8.370 nan 0.000 0.465 1450 G N 0.640 109.474 108.800 0.056 0.000 2.421 1450 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.217 1450 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.217 1450 G C 1.597 176.504 174.900 0.011 0.000 1.143 1450 G CA 0.305 45.436 45.100 0.052 0.000 0.784 1450 G HN 0.218 nan 8.290 nan 0.000 0.541 1451 L N 0.870 122.084 121.223 -0.015 0.000 1.994 1451 L HA 0.015 4.354 4.340 -0.001 0.000 0.208 1451 L C 2.543 179.345 176.870 -0.113 0.000 1.071 1451 L CA 1.363 56.167 54.840 -0.061 0.000 0.745 1451 L CB -0.383 41.637 42.059 -0.066 0.000 0.892 1451 L HN 0.067 nan 8.230 nan 0.000 0.431 1452 I N 0.246 120.684 120.570 -0.219 0.000 2.208 1452 I HA -0.254 3.915 4.170 -0.001 0.000 0.245 1452 I C 2.681 178.748 176.117 -0.083 0.000 1.097 1452 I CA 1.535 62.722 61.300 -0.189 0.000 1.363 1452 I CB -2.028 35.822 38.000 -0.250 0.000 1.051 1452 I HN 0.378 nan 8.210 nan 0.000 0.413 1453 A N 0.451 123.237 122.820 -0.057 0.000 1.930 1453 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 1453 A C 2.244 179.817 177.584 -0.017 0.000 1.175 1453 A CA 1.739 53.762 52.037 -0.023 0.000 0.627 1453 A CB -0.911 18.085 19.000 -0.007 0.000 0.815 1453 A HN 0.538 nan 8.150 nan 0.000 0.443 1454 N N 0.008 118.697 118.700 -0.018 0.000 2.142 1454 N HA -0.124 4.615 4.740 -0.001 0.000 0.186 1454 N C 1.695 177.197 175.510 -0.013 0.000 1.023 1454 N CA 1.571 54.615 53.050 -0.010 0.000 0.852 1454 N CB -0.032 38.452 38.487 -0.005 0.000 0.998 1454 N HN 0.232 nan 8.380 nan 0.000 0.424 1455 V N 1.748 121.649 119.914 -0.022 0.000 2.295 1455 V HA -0.208 3.911 4.120 -0.001 0.000 0.246 1455 V C 2.497 178.583 176.094 -0.014 0.000 1.049 1455 V CA 1.609 63.898 62.300 -0.018 0.000 1.024 1455 V CB -0.586 31.222 31.823 -0.025 0.000 0.648 1455 V HN 0.361 nan 8.190 nan 0.000 0.447 1456 K N 0.818 121.207 120.400 -0.018 0.000 2.113 1456 K HA -0.220 4.099 4.320 -0.001 0.000 0.208 1456 K C 2.104 178.700 176.600 -0.006 0.000 1.047 1456 K CA 1.910 58.190 56.287 -0.011 0.000 0.928 1456 K CB -0.260 32.233 32.500 -0.011 0.000 0.716 1456 K HN 0.620 nan 8.250 nan 0.000 0.446 1457 S N -1.413 114.284 115.700 -0.005 0.000 2.607 1457 S HA 0.113 4.582 4.470 -0.001 0.000 0.224 1457 S C 1.168 175.767 174.600 -0.001 0.000 0.969 1457 S CA 0.547 58.745 58.200 -0.002 0.000 0.927 1457 S CB 0.296 63.496 63.200 -0.001 0.000 0.772 1457 S HN 0.575 nan 8.310 nan 0.000 0.533 1458 G N 0.718 109.516 108.800 -0.002 0.000 2.179 1458 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.220 1458 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.220 1458 G C -0.332 174.568 174.900 -0.000 0.000 0.990 1458 G CA -0.039 45.061 45.100 -0.001 0.000 0.646 1458 G HN 0.628 nan 8.290 nan 0.000 0.517 1459 D N 1.575 121.974 120.400 -0.001 0.000 2.428 1459 D HA 0.527 5.167 4.640 -0.001 0.000 0.221 1459 D C 1.485 177.785 176.300 0.001 0.000 1.123 1459 D CA 0.474 54.474 54.000 0.001 0.000 0.869 1459 D CB 0.590 41.390 40.800 0.000 0.000 1.032 1459 D HN 0.264 nan 8.370 nan 0.000 0.506 1460 T N 0.423 114.979 114.554 0.003 0.000 3.174 1460 T HA 0.198 4.547 4.350 -0.001 0.000 0.269 1460 T C 0.756 175.463 174.700 0.012 0.000 1.017 1460 T CA -0.666 61.437 62.100 0.005 0.000 0.899 1460 T CB -0.029 68.841 68.868 0.003 0.000 1.077 1460 T HN 0.145 nan 8.240 nan 0.000 0.552 1461 K N 2.360 122.768 120.400 0.013 0.000 2.382 1461 K HA 0.291 4.610 4.320 -0.001 0.000 0.275 1461 K C 0.978 177.596 176.600 0.031 0.000 1.009 1461 K CA 0.565 56.866 56.287 0.023 0.000 0.970 1461 K CB 0.524 33.033 32.500 0.015 0.000 0.934 1461 K HN 0.271 nan 8.250 nan 0.000 0.479 1462 T N 0.793 115.383 114.554 0.059 0.000 3.087 1462 T HA 0.234 4.583 4.350 -0.001 0.000 0.283 1462 T C -0.374 174.420 174.700 0.156 0.000 0.956 1462 T CA -0.449 61.693 62.100 0.070 0.000 0.894 1462 T CB -0.259 68.638 68.868 0.049 0.000 1.160 1462 T HN 0.414 nan 8.240 nan 0.000 0.532 1463 F N 1.776 121.701 119.950 -0.042 0.000 2.605 1463 F HA 0.475 5.001 4.527 -0.001 0.000 0.320 1463 F C -1.346 174.440 175.800 -0.023 0.000 1.159 1463 F CA -1.021 56.950 58.000 -0.047 0.000 0.999 1463 F CB 1.501 40.443 39.000 -0.096 0.000 1.258 1463 F HN 0.039 nan 8.300 nan 0.000 0.464 1464 N N 5.112 123.422 118.700 -0.650 0.000 2.469 1464 N HA 0.076 4.815 4.740 -0.001 0.000 0.239 1464 N C 0.679 175.639 175.510 -0.916 0.000 1.053 1464 N CA -0.283 52.457 53.050 -0.516 0.000 0.937 1464 N CB 0.727 39.044 38.487 -0.282 0.000 1.163 1464 N HN 0.757 nan 8.380 nan 0.000 0.509 1465 E N 2.603 122.436 120.200 -0.611 0.000 2.481 1465 E HA -0.129 4.220 4.350 -0.001 0.000 0.195 1465 E C 1.362 177.969 176.600 0.013 0.000 1.047 1465 E CA 0.621 56.837 56.400 -0.306 0.000 0.867 1465 E CB -0.317 29.443 29.700 0.099 0.000 0.858 1465 E HN 0.704 nan 8.360 nan 0.000 0.513 1466 T N 0.062 114.599 114.554 -0.028 0.000 2.833 1466 T HA -0.085 4.264 4.350 -0.001 0.000 0.269 1466 T C 1.618 176.404 174.700 0.143 0.000 1.054 1466 T CA 0.850 62.985 62.100 0.058 0.000 1.135 1466 T CB -0.255 68.628 68.868 0.025 0.000 0.869 1466 T HN 0.246 nan 8.240 nan 0.000 0.466 1467 L N 0.098 121.432 121.223 0.185 0.000 3.017 1467 L HA 0.352 4.691 4.340 -0.001 0.000 0.255 1467 L C 1.726 178.902 176.870 0.510 0.000 1.247 1467 L CA -0.612 54.418 54.840 0.317 0.000 1.038 1467 L CB -0.169 42.048 42.059 0.262 0.000 1.380 1467 L HN 0.445 nan 8.230 nan 0.000 0.548 1468 W N 1.660 123.110 121.300 0.249 0.000 2.363 1468 W HA -0.066 4.594 4.660 -0.001 0.000 0.296 1468 W C 0.543 177.223 176.519 0.269 0.000 1.212 1468 W CA 0.767 58.310 57.345 0.329 0.000 1.260 1468 W CB 0.479 30.142 29.460 0.339 0.000 1.131 1468 W HN 0.101 nan 8.180 nan 0.000 0.530 1469 E N 0.666 120.904 120.200 0.062 0.000 2.259 1469 E HA 0.074 4.423 4.350 -0.001 0.000 0.281 1469 E C -1.585 174.595 176.600 -0.700 0.000 1.037 1469 E CA -1.903 54.345 56.400 -0.254 0.000 0.854 1469 E CB 0.838 30.488 29.700 -0.083 0.000 1.051 1469 E HN 0.003 nan 8.360 nan 0.000 0.409 1470 P HA -0.179 nan 4.420 nan 0.000 0.218 1470 P C 1.260 177.940 177.300 -1.033 0.000 1.146 1470 P CA 1.396 63.326 63.100 -1.950 0.000 0.813 1470 P CB 0.197 31.164 31.700 -1.221 0.000 0.778 1471 S N -1.273 114.102 115.700 -0.543 0.000 2.547 1471 S HA -0.075 4.394 4.470 -0.001 0.000 0.235 1471 S C 1.729 176.222 174.600 -0.178 0.000 0.980 1471 S CA 1.116 59.150 58.200 -0.275 0.000 0.941 1471 S CB -1.249 61.849 63.200 -0.170 0.000 0.763 1471 S HN 0.258 nan 8.310 nan 0.000 0.532 1472 S N -1.021 114.553 115.700 -0.210 0.000 2.556 1472 S HA 0.241 4.711 4.470 -0.001 0.000 0.216 1472 S C 0.041 174.761 174.600 0.200 0.000 0.970 1472 S CA -0.877 57.333 58.200 0.016 0.000 0.912 1472 S CB -0.400 62.853 63.200 0.089 0.000 0.790 1472 S HN 0.551 nan 8.310 nan 0.000 0.504 1473 W N 3.488 124.785 121.300 -0.005 0.000 2.303 1473 W HA 0.558 5.217 4.660 -0.002 0.000 0.334 1473 W C -2.507 174.009 176.519 -0.006 0.000 1.197 1473 W CA -3.181 54.161 57.345 -0.006 0.000 1.262 1473 W CB -1.047 28.406 29.460 -0.013 0.000 1.153 1473 W HN 0.036 nan 8.180 nan 0.000 0.596 1474 P HA 0.042 nan 4.420 nan 0.000 0.269 1474 P C 0.841 178.222 177.300 0.135 0.000 1.215 1474 P CA -0.010 63.165 63.100 0.125 0.000 0.780 1474 P CB 0.484 32.226 31.700 0.071 0.000 0.898 1475 S N 0.591 116.341 115.700 0.084 0.000 2.522 1475 S HA 0.051 4.520 4.470 -0.001 0.000 0.227 1475 S C 0.641 175.280 174.600 0.064 0.000 0.986 1475 S CA 0.159 58.406 58.200 0.077 0.000 0.929 1475 S CB -0.158 63.069 63.200 0.044 0.000 0.769 1475 S HN 0.295 nan 8.310 nan 0.000 0.529 1476 R N 1.027 121.554 120.500 0.044 0.000 2.532 1476 R HA 0.815 5.154 4.340 -0.001 0.000 0.297 1476 R C -1.067 175.232 176.300 -0.002 0.000 0.984 1476 R CA -0.083 56.026 56.100 0.016 0.000 0.884 1476 R CB 1.730 32.026 30.300 -0.007 0.000 1.182 1476 R HN 0.297 nan 8.270 nan 0.000 0.442 1477 A N 2.388 125.195 122.820 -0.022 0.000 2.587 1477 A HA 0.649 4.968 4.320 -0.001 0.000 0.293 1477 A C -1.401 176.134 177.584 -0.082 0.000 1.087 1477 A CA -0.762 51.241 52.037 -0.057 0.000 0.692 1477 A CB 2.231 21.188 19.000 -0.070 0.000 1.291 1477 A HN 0.692 nan 8.150 nan 0.000 0.407 1478 Q N 0.531 120.267 119.800 -0.106 0.000 2.377 1478 Q HA 0.743 5.082 4.340 -0.001 0.000 0.279 1478 Q C -0.457 175.539 176.000 -0.007 0.000 1.049 1478 Q CA -0.671 55.071 55.803 -0.102 0.000 0.825 1478 Q CB 2.137 30.660 28.738 -0.358 0.000 1.401 1478 Q HN 1.737 nan 8.270 nan 0.000 0.404 1479 G N 0.087 108.985 108.800 0.162 0.000 2.660 1479 G HA2 0.548 4.507 3.960 -0.001 0.000 0.290 1479 G HA3 0.548 4.507 3.960 -0.001 0.000 0.290 1479 G C -1.943 173.003 174.900 0.078 0.000 1.432 1479 G CA -0.449 44.732 45.100 0.135 0.000 0.807 1479 G HN 0.655 nan 8.290 nan 0.000 0.485 1480 V N -0.093 119.740 119.914 -0.135 0.000 2.588 1480 V HA 0.869 4.988 4.120 -0.001 0.000 0.304 1480 V C 0.245 176.102 176.094 -0.395 0.000 1.042 1480 V CA 0.098 62.088 62.300 -0.517 0.000 0.877 1480 V CB 1.683 32.915 31.823 -0.985 0.000 0.996 1480 V HN 1.412 nan 8.190 nan 0.000 0.425 1481 G N 6.581 115.144 108.800 -0.395 0.000 2.347 1481 G HA2 0.610 4.569 3.960 -0.001 0.000 0.314 1481 G HA3 0.610 4.569 3.960 -0.001 0.000 0.314 1481 G C -0.795 173.914 174.900 -0.319 0.000 1.126 1481 G CA -0.434 44.503 45.100 -0.273 0.000 0.929 1481 G HN 1.079 nan 8.290 nan 0.000 0.441 1482 I N 0.422 120.856 120.570 -0.228 0.000 2.707 1482 I HA 0.945 5.114 4.170 -0.001 0.000 0.309 1482 I C -0.214 175.871 176.117 -0.054 0.000 1.001 1482 I CA -1.693 59.532 61.300 -0.124 0.000 1.129 1482 I CB 2.229 40.168 38.000 -0.102 0.000 1.308 1482 I HN 0.595 nan 8.210 nan 0.000 0.466 1483 M N 2.315 121.938 119.600 0.038 0.000 2.562 1483 M HA 0.502 4.982 4.480 -0.001 0.000 0.281 1483 M C -1.997 174.314 176.300 0.019 0.000 1.195 1483 M CA -0.374 54.908 55.300 -0.029 0.000 0.888 1483 M CB 2.288 34.826 32.600 -0.102 0.000 1.731 1483 M HN 0.582 nan 8.290 nan 0.000 0.493 1484 E N 2.532 122.740 120.200 0.015 0.000 2.035 1484 E HA 0.565 4.914 4.350 -0.001 0.000 0.271 1484 E C -0.755 175.896 176.600 0.084 0.000 0.953 1484 E CA -0.086 56.327 56.400 0.021 0.000 0.777 1484 E CB 1.512 31.226 29.700 0.024 0.000 1.104 1484 E HN 0.735 nan 8.360 nan 0.000 0.408 1485 A N 4.490 127.283 122.820 -0.046 0.000 2.287 1485 A HA 0.402 4.722 4.320 -0.001 0.000 0.273 1485 A C -1.464 175.916 177.584 -0.341 0.000 1.091 1485 A CA -1.200 50.744 52.037 -0.154 0.000 0.817 1485 A CB 0.211 19.125 19.000 -0.144 0.000 1.069 1485 A HN 0.241 nan 8.150 nan 0.000 0.492 1486 P HA -0.165 nan 4.420 nan 0.000 0.217 1486 P C 0.981 178.212 177.300 -0.115 0.000 1.148 1486 P CA 1.481 64.172 63.100 -0.681 0.000 0.834 1486 P CB 0.086 31.446 31.700 -0.567 0.000 0.783 1487 R N -1.822 118.640 120.500 -0.063 0.000 2.300 1487 R HA 0.379 4.718 4.340 -0.001 0.000 0.199 1487 R C 1.149 177.468 176.300 0.033 0.000 0.920 1487 R CA 0.490 56.610 56.100 0.034 0.000 1.046 1487 R CB 0.158 30.511 30.300 0.088 0.000 0.984 1487 R HN 0.227 nan 8.270 nan 0.000 0.493 1488 G N -0.066 108.714 108.800 -0.034 0.000 2.302 1488 G HA2 0.141 4.100 3.960 -0.001 0.000 0.276 1488 G HA3 0.141 4.100 3.960 -0.001 0.000 0.276 1488 G C -1.484 173.335 174.900 -0.135 0.000 1.316 1488 G CA -0.618 44.431 45.100 -0.084 0.000 0.988 1488 G HN 0.179 nan 8.290 nan 0.000 0.479 1489 A N -0.534 122.110 122.820 -0.294 0.000 2.488 1489 A HA 0.633 4.952 4.320 -0.001 0.000 0.249 1489 A C -0.151 177.318 177.584 -0.192 0.000 1.083 1489 A CA 0.755 52.483 52.037 -0.514 0.000 0.768 1489 A CB 0.701 18.901 19.000 -1.334 0.000 1.017 1489 A HN 2.162 nan 8.150 nan 0.000 0.496 1490 L N 2.670 123.932 121.223 0.065 0.000 2.408 1490 L HA 0.860 5.199 4.340 -0.001 0.000 0.268 1490 L C -0.017 177.092 176.870 0.397 0.000 0.986 1490 L CA 0.170 55.161 54.840 0.252 0.000 0.820 1490 L CB 2.097 44.184 42.059 0.047 0.000 1.303 1490 L HN 0.804 nan 8.230 nan 0.000 0.411 1491 G N 2.249 111.331 108.800 0.470 0.000 2.638 1491 G HA2 0.497 4.456 3.960 -0.001 0.000 0.302 1491 G HA3 0.497 4.456 3.960 -0.001 0.000 0.302 1491 G C -1.761 173.285 174.900 0.245 0.000 1.365 1491 G CA -0.457 44.661 45.100 0.031 0.000 0.987 1491 G HN 0.741 nan 8.290 nan 0.000 0.495 1492 H N 0.723 119.636 119.070 -0.261 0.000 2.589 1492 H HA 0.262 4.817 4.556 -0.001 0.000 0.335 1492 H C -0.925 174.177 175.328 -0.377 0.000 1.019 1492 H CA -0.706 55.264 56.048 -0.130 0.000 1.213 1492 H CB 1.960 31.670 29.762 -0.087 0.000 1.472 1492 H HN 0.407 nan 8.280 nan 0.000 0.508 1493 W N 5.288 126.416 121.300 -0.287 0.000 2.349 1493 W HA 0.379 5.038 4.660 -0.001 0.000 0.309 1493 W C -0.353 175.969 176.519 -0.329 0.000 1.083 1493 W CA -0.529 56.621 57.345 -0.325 0.000 1.224 1493 W CB 1.622 30.801 29.460 -0.468 0.000 1.256 1493 W HN 0.366 nan 8.180 nan 0.000 0.461 1494 I N 3.565 124.130 120.570 -0.008 0.000 2.530 1494 I HA 0.527 4.696 4.170 -0.001 0.000 0.297 1494 I C -1.129 175.069 176.117 0.135 0.000 1.011 1494 I CA -0.751 60.504 61.300 -0.074 0.000 1.107 1494 I CB 1.909 39.808 38.000 -0.167 0.000 1.285 1494 I HN -0.052 nan 8.210 nan 0.000 0.436 1495 V N 7.904 127.881 119.914 0.105 0.000 2.487 1495 V HA 0.480 4.599 4.120 -0.001 0.000 0.298 1495 V C -0.265 175.856 176.094 0.045 0.000 1.028 1495 V CA -0.464 61.869 62.300 0.055 0.000 0.860 1495 V CB 1.717 33.570 31.823 0.051 0.000 0.991 1495 V HN 0.488 nan 8.190 nan 0.000 0.427 1496 I N 4.175 124.754 120.570 0.016 0.000 2.404 1496 I HA 0.531 4.700 4.170 -0.001 0.000 0.293 1496 I C -0.217 175.930 176.117 0.050 0.000 0.992 1496 I CA -0.308 61.016 61.300 0.040 0.000 1.149 1496 I CB 1.781 39.787 38.000 0.011 0.000 1.315 1496 I HN 0.620 nan 8.210 nan 0.000 0.446 1497 E N 5.453 125.694 120.200 0.069 0.000 2.246 1497 E HA 0.236 4.585 4.350 -0.001 0.000 0.266 1497 E C -1.283 175.364 176.600 0.079 0.000 0.880 1497 E CA -0.745 55.691 56.400 0.060 0.000 0.762 1497 E CB 1.560 31.280 29.700 0.033 0.000 1.180 1497 E HN 0.504 nan 8.360 nan 0.000 0.416 1498 D N 2.295 122.744 120.400 0.082 0.000 2.686 1498 D HA -0.220 4.419 4.640 -0.001 0.000 0.235 1498 D C 0.892 177.239 176.300 0.079 0.000 1.160 1498 D CA 1.692 55.731 54.000 0.066 0.000 0.645 1498 D CB -1.124 39.695 40.800 0.031 0.000 1.039 1498 D HN 1.052 nan 8.370 nan 0.000 0.423 1499 G N -1.101 107.808 108.800 0.182 0.000 2.179 1499 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.260 1499 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.260 1499 G C 0.357 175.402 174.900 0.242 0.000 0.977 1499 G CA 0.514 45.739 45.100 0.209 0.000 0.641 1499 G HN 0.416 nan 8.290 nan 0.000 0.533 1500 R N -0.379 120.218 120.500 0.162 0.000 2.854 1500 R HA 0.675 5.015 4.340 -0.001 0.000 0.271 1500 R C 0.404 176.765 176.300 0.100 0.000 0.996 1500 R CA -1.635 54.528 56.100 0.105 0.000 0.961 1500 R CB 0.513 30.842 30.300 0.048 0.000 1.182 1500 R HN 0.220 nan 8.270 nan 0.000 0.479 1501 I N 1.935 122.547 120.570 0.071 0.000 2.505 1501 I HA 0.010 4.179 4.170 -0.001 0.000 0.287 1501 I C 1.230 177.382 176.117 0.059 0.000 1.104 1501 I CA 0.240 61.588 61.300 0.080 0.000 1.387 1501 I CB 1.068 39.111 38.000 0.071 0.000 1.404 1501 I HN 0.698 nan 8.210 nan 0.000 0.528 1502 A N 5.351 128.211 122.820 0.066 0.000 1.956 1502 A HA 0.128 4.447 4.320 -0.001 0.000 0.212 1502 A C 0.822 178.442 177.584 0.059 0.000 1.188 1502 A CA 0.735 52.801 52.037 0.048 0.000 0.675 1502 A CB 0.074 19.096 19.000 0.036 0.000 0.845 1502 A HN 0.678 nan 8.150 nan 0.000 0.455 1503 N N -2.344 116.410 118.700 0.090 0.000 2.396 1503 N HA 0.470 5.209 4.740 -0.001 0.000 0.275 1503 N C -2.138 173.482 175.510 0.184 0.000 1.218 1503 N CA -0.444 52.673 53.050 0.112 0.000 0.812 1503 N CB 1.484 40.024 38.487 0.089 0.000 1.592 1503 N HN 0.154 nan 8.380 nan 0.000 0.480 1504 Y N 1.183 121.506 120.300 0.039 0.000 2.362 1504 Y HA 0.397 4.946 4.550 -0.001 0.000 0.326 1504 Y C -1.358 174.558 175.900 0.026 0.000 1.083 1504 Y CA -0.531 57.595 58.100 0.043 0.000 1.073 1504 Y CB 1.285 39.739 38.460 -0.008 0.000 1.211 1504 Y HN 0.307 nan 8.280 nan 0.000 0.433 1505 Q N 4.231 124.098 119.800 0.112 0.000 2.321 1505 Q HA 0.694 5.034 4.340 -0.001 0.000 0.270 1505 Q C -1.275 174.800 176.000 0.124 0.000 1.032 1505 Q CA -0.747 55.123 55.803 0.110 0.000 0.784 1505 Q CB 2.323 31.047 28.738 -0.024 0.000 1.264 1505 Q HN 0.779 nan 8.270 nan 0.000 0.448 1506 A N 2.144 125.001 122.820 0.061 0.000 2.305 1506 A HA 0.743 5.062 4.320 -0.001 0.000 0.322 1506 A C -0.536 177.101 177.584 0.090 0.000 1.187 1506 A CA -0.518 51.514 52.037 -0.009 0.000 0.825 1506 A CB 0.978 19.703 19.000 -0.458 0.000 1.164 1506 A HN 0.397 nan 8.150 nan 0.000 0.498 1507 V N 3.251 123.351 119.914 0.310 0.000 2.444 1507 V HA 0.503 4.622 4.120 -0.001 0.000 0.294 1507 V C -0.329 175.997 176.094 0.387 0.000 1.022 1507 V CA -0.479 61.968 62.300 0.245 0.000 0.850 1507 V CB 1.291 33.213 31.823 0.166 0.000 0.992 1507 V HN 0.678 nan 8.190 nan 0.000 0.426 1508 V N 6.680 126.776 119.914 0.304 0.000 2.815 1508 V HA 0.421 4.540 4.120 -0.001 0.000 0.314 1508 V C -1.432 174.894 176.094 0.386 0.000 1.064 1508 V CA -1.657 60.857 62.300 0.357 0.000 0.952 1508 V CB 2.363 34.395 31.823 0.349 0.000 1.020 1508 V HN 0.608 nan 8.190 nan 0.000 0.439 1509 P HA -0.134 nan 4.420 nan 0.000 0.216 1509 P C 1.445 178.923 177.300 0.297 0.000 1.153 1509 P CA 1.459 64.750 63.100 0.318 0.000 0.858 1509 P CB 0.268 32.060 31.700 0.154 0.000 0.789 1510 S N -1.139 114.700 115.700 0.233 0.000 2.489 1510 S HA -0.048 4.421 4.470 -0.001 0.000 0.228 1510 S C 1.806 176.447 174.600 0.069 0.000 0.995 1510 S CA 1.291 59.585 58.200 0.157 0.000 0.934 1510 S CB -1.014 62.300 63.200 0.188 0.000 0.771 1510 S HN 0.306 nan 8.310 nan 0.000 0.522 1511 T N 1.012 115.640 114.554 0.122 0.000 2.652 1511 T HA -0.167 4.182 4.350 -0.001 0.000 0.267 1511 T C 1.344 176.003 174.700 -0.068 0.000 1.039 1511 T CA 1.365 63.467 62.100 0.004 0.000 1.153 1511 T CB -0.481 68.382 68.868 -0.008 0.000 0.863 1511 T HN 0.538 nan 8.240 nan 0.000 0.428 1512 W N 2.079 123.380 121.300 0.001 0.000 2.315 1512 W HA -0.124 4.535 4.660 -0.002 0.000 0.323 1512 W C 2.577 179.020 176.519 -0.126 0.000 1.233 1512 W CA 0.876 58.205 57.345 -0.026 0.000 1.267 1512 W CB -0.592 28.872 29.460 0.005 0.000 1.160 1512 W HN 0.186 nan 8.180 nan 0.000 0.474 1513 N N -0.326 118.428 118.700 0.091 0.000 2.171 1513 N HA -0.074 4.666 4.740 -0.001 0.000 0.184 1513 N C 1.567 176.623 175.510 -0.755 0.000 1.021 1513 N CA 1.814 54.752 53.050 -0.187 0.000 0.854 1513 N CB -0.965 37.521 38.487 -0.002 0.000 0.994 1513 N HN 0.126 nan 8.380 nan 0.000 0.426 1514 A N 0.368 122.627 122.820 -0.935 0.000 2.238 1514 A HA 0.364 4.683 4.320 -0.001 0.000 0.210 1514 A C 1.250 178.538 177.584 -0.494 0.000 1.179 1514 A CA 0.141 51.417 52.037 -1.268 0.000 0.827 1514 A CB -0.452 17.986 19.000 -0.937 0.000 0.856 1514 A HN 0.232 nan 8.150 nan 0.000 0.488 1515 G N 0.776 109.386 108.800 -0.317 0.000 2.636 1515 G HA2 0.425 4.384 3.960 -0.001 0.000 0.246 1515 G HA3 0.425 4.384 3.960 -0.001 0.000 0.246 1515 G C -2.054 172.732 174.900 -0.190 0.000 1.216 1515 G CA -0.732 44.244 45.100 -0.207 0.000 0.854 1515 G HN 0.246 nan 8.290 nan 0.000 0.572 1516 P HA 0.303 nan 4.420 nan 0.000 0.328 1516 P C -0.136 177.079 177.300 -0.142 0.000 1.305 1516 P CA -0.828 62.138 63.100 -0.223 0.000 0.745 1516 P CB 1.233 32.497 31.700 -0.727 0.000 1.462 1517 R N -0.085 120.361 120.500 -0.090 0.000 2.738 1517 R HA 0.197 4.536 4.340 -0.001 0.000 0.268 1517 R C 0.573 176.892 176.300 0.032 0.000 1.062 1517 R CA 0.195 56.264 56.100 -0.052 0.000 1.158 1517 R CB -0.143 30.085 30.300 -0.120 0.000 1.046 1517 R HN 0.580 nan 8.270 nan 0.000 0.493 1518 D N -0.727 119.671 120.400 -0.003 0.000 2.627 1518 D HA 0.167 4.806 4.640 -0.001 0.000 0.259 1518 D C 0.989 177.269 176.300 -0.034 0.000 1.164 1518 D CA -0.639 53.309 54.000 -0.088 0.000 1.087 1518 D CB -0.121 40.465 40.800 -0.357 0.000 1.217 1518 D HN 0.413 nan 8.370 nan 0.000 0.630 1519 G N -1.266 107.433 108.800 -0.168 0.000 2.509 1519 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.218 1519 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.218 1519 G C 1.067 175.933 174.900 -0.058 0.000 1.124 1519 G CA 0.249 45.295 45.100 -0.090 0.000 0.776 1519 G HN 0.214 nan 8.290 nan 0.000 0.547 1520 R N -0.310 120.133 120.500 -0.095 0.000 2.359 1520 R HA 0.316 4.655 4.340 -0.001 0.000 0.231 1520 R C 1.683 177.964 176.300 -0.031 0.000 0.913 1520 R CA -0.185 55.876 56.100 -0.065 0.000 1.075 1520 R CB -0.277 29.967 30.300 -0.093 0.000 1.087 1520 R HN 0.239 nan 8.270 nan 0.000 0.515 1521 G N 0.518 109.320 108.800 0.004 0.000 2.166 1521 G HA2 -0.380 3.579 3.960 -0.001 0.000 0.260 1521 G HA3 -0.380 3.579 3.960 -0.001 0.000 0.260 1521 G C 0.013 174.885 174.900 -0.046 0.000 0.986 1521 G CA 0.348 45.448 45.100 0.001 0.000 0.683 1521 G HN 0.452 nan 8.290 nan 0.000 0.527 1522 Q N 0.445 120.209 119.800 -0.061 0.000 2.293 1522 Q HA 0.605 4.944 4.340 -0.001 0.000 0.263 1522 Q C 0.788 176.745 176.000 -0.071 0.000 1.002 1522 Q CA 0.160 55.922 55.803 -0.067 0.000 0.910 1522 Q CB 0.541 29.234 28.738 -0.076 0.000 1.185 1522 Q HN 0.794 nan 8.270 nan 0.000 0.401 1523 A N 3.340 126.114 122.820 -0.076 0.000 2.366 1523 A HA 0.574 4.893 4.320 -0.001 0.000 0.249 1523 A C 0.437 177.982 177.584 -0.066 0.000 1.084 1523 A CA 0.200 52.184 52.037 -0.089 0.000 0.794 1523 A CB 0.539 19.468 19.000 -0.118 0.000 1.034 1523 A HN 0.878 nan 8.150 nan 0.000 0.491 1524 G N -1.197 107.558 108.800 -0.076 0.000 2.588 1524 G HA2 0.487 4.446 3.960 -0.001 0.000 0.281 1524 G HA3 0.487 4.446 3.960 -0.001 0.000 0.281 1524 G C 1.130 175.983 174.900 -0.079 0.000 1.236 1524 G CA 0.180 45.234 45.100 -0.078 0.000 0.969 1524 G HN 1.352 nan 8.290 nan 0.000 0.504 1525 A N -0.553 122.213 122.820 -0.090 0.000 1.892 1525 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 1525 A C 2.139 179.658 177.584 -0.108 0.000 1.188 1525 A CA 1.811 53.813 52.037 -0.057 0.000 0.631 1525 A CB -0.773 18.215 19.000 -0.020 0.000 0.822 1525 A HN 0.632 nan 8.150 nan 0.000 0.447 1526 Y N 0.188 120.183 120.300 -0.508 0.000 2.145 1526 Y HA -0.147 4.402 4.550 -0.002 0.000 0.286 1526 Y C 2.463 178.238 175.900 -0.208 0.000 1.145 1526 Y CA 1.135 58.948 58.100 -0.478 0.000 1.148 1526 Y CB -1.077 37.169 38.460 -0.357 0.000 0.981 1526 Y HN 0.512 nan 8.280 nan 0.000 0.507 1527 E N -0.347 119.852 120.200 -0.002 0.000 2.077 1527 E HA -0.154 4.196 4.350 -0.001 0.000 0.193 1527 E C 2.386 178.937 176.600 -0.082 0.000 0.989 1527 E CA 1.091 57.444 56.400 -0.079 0.000 0.800 1527 E CB -0.259 29.360 29.700 -0.135 0.000 0.746 1527 E HN 0.375 nan 8.360 nan 0.000 0.452 1528 A N 1.284 124.079 122.820 -0.041 0.000 1.968 1528 A HA 0.016 4.335 4.320 -0.001 0.000 0.217 1528 A C 2.322 179.928 177.584 0.037 0.000 1.169 1528 A CA 1.320 53.348 52.037 -0.015 0.000 0.638 1528 A CB -0.425 18.577 19.000 0.003 0.000 0.812 1528 A HN 0.275 nan 8.150 nan 0.000 0.446 1529 A N 0.100 122.977 122.820 0.095 0.000 1.873 1529 A HA -0.035 4.284 4.320 -0.001 0.000 0.215 1529 A C 2.111 179.679 177.584 -0.027 0.000 1.186 1529 A CA 1.436 53.579 52.037 0.176 0.000 0.616 1529 A CB -0.639 18.614 19.000 0.422 0.000 0.823 1529 A HN 0.453 nan 8.150 nan 0.000 0.442 1530 L N -0.818 120.289 121.223 -0.193 0.000 2.131 1530 L HA -0.238 4.101 4.340 -0.001 0.000 0.210 1530 L C 2.671 179.402 176.870 -0.230 0.000 1.092 1530 L CA 1.416 55.978 54.840 -0.462 0.000 0.759 1530 L CB -0.558 41.337 42.059 -0.274 0.000 0.903 1530 L HN 0.506 nan 8.230 nan 0.000 0.435 1531 Q N -0.673 119.069 119.800 -0.097 0.000 2.436 1531 Q HA -0.121 4.218 4.340 -0.001 0.000 0.209 1531 Q C 0.240 176.261 176.000 0.034 0.000 0.965 1531 Q CA 0.387 56.166 55.803 -0.040 0.000 0.910 1531 Q CB -0.030 28.669 28.738 -0.065 0.000 0.980 1531 Q HN 0.271 nan 8.270 nan 0.000 0.491 1532 D N 0.832 121.291 120.400 0.097 0.000 2.468 1532 D HA 0.033 4.672 4.640 -0.001 0.000 0.218 1532 D C -0.461 175.969 176.300 0.215 0.000 1.155 1532 D CA -0.089 53.993 54.000 0.138 0.000 0.924 1532 D CB -0.551 40.331 40.800 0.137 0.000 1.029 1532 D HN 0.199 nan 8.370 nan 0.000 0.515 1533 N N 3.026 121.788 118.700 0.103 0.000 2.780 1533 N HA -0.196 4.543 4.740 -0.001 0.000 0.248 1533 N C -1.005 174.440 175.510 -0.108 0.000 1.102 1533 N CA 0.145 53.188 53.050 -0.011 0.000 0.697 1533 N CB -0.916 37.526 38.487 -0.076 0.000 1.028 1533 N HN 0.582 nan 8.380 nan 0.000 0.554 1534 H N 0.605 119.630 119.070 -0.076 0.000 2.457 1534 H HA 0.329 4.884 4.556 -0.001 0.000 0.335 1534 H C -0.389 174.910 175.328 -0.048 0.000 1.115 1534 H CA -0.252 55.749 56.048 -0.078 0.000 1.219 1534 H CB 1.613 31.361 29.762 -0.023 0.000 1.471 1534 H HN 0.241 nan 8.280 nan 0.000 0.491 1535 Q N 1.835 121.643 119.800 0.013 0.000 2.356 1535 Q HA 0.343 4.682 4.340 -0.001 0.000 0.270 1535 Q C -1.218 174.818 176.000 0.060 0.000 1.058 1535 Q CA -0.826 54.993 55.803 0.026 0.000 0.802 1535 Q CB 2.393 31.126 28.738 -0.008 0.000 1.303 1535 Q HN 0.335 nan 8.270 nan 0.000 0.444 1536 L N 2.169 123.426 121.223 0.058 0.000 2.272 1536 L HA 0.299 4.638 4.340 -0.001 0.000 0.289 1536 L C 0.921 177.825 176.870 0.055 0.000 1.032 1536 L CA -0.051 54.827 54.840 0.063 0.000 0.810 1536 L CB 1.415 43.497 42.059 0.037 0.000 1.205 1536 L HN 0.727 nan 8.230 nan 0.000 0.422 1537 V N 1.060 121.028 119.914 0.090 0.000 2.515 1537 V HA -0.022 4.097 4.120 -0.001 0.000 0.250 1537 V C 0.201 176.301 176.094 0.009 0.000 1.058 1537 V CA 1.697 64.022 62.300 0.042 0.000 1.064 1537 V CB -0.008 31.814 31.823 -0.003 0.000 0.675 1537 V HN 0.903 nan 8.190 nan 0.000 0.461 1538 D N -1.102 119.319 120.400 0.035 0.000 2.613 1538 D HA 0.200 4.840 4.640 -0.001 0.000 0.230 1538 D C 0.552 176.832 176.300 -0.032 0.000 1.365 1538 D CA 0.218 54.214 54.000 -0.008 0.000 0.976 1538 D CB 1.637 42.420 40.800 -0.028 0.000 1.415 1538 D HN 0.140 nan 8.370 nan 0.000 0.589 1539 V N 2.366 122.261 119.914 -0.031 0.000 2.867 1539 V HA -0.050 4.069 4.120 -0.001 0.000 0.260 1539 V C 1.463 177.518 176.094 -0.064 0.000 1.099 1539 V CA 1.108 63.385 62.300 -0.039 0.000 1.122 1539 V CB -0.549 31.264 31.823 -0.017 0.000 0.708 1539 V HN 0.423 nan 8.190 nan 0.000 0.490 1540 K N 0.199 120.556 120.400 -0.072 0.000 2.400 1540 K HA 0.191 4.510 4.320 -0.001 0.000 0.194 1540 K C 0.484 176.966 176.600 -0.196 0.000 1.033 1540 K CA 0.376 56.615 56.287 -0.079 0.000 1.021 1540 K CB 0.176 32.656 32.500 -0.032 0.000 0.808 1540 K HN 0.593 nan 8.250 nan 0.000 0.505 1541 Q N 1.223 120.816 119.800 -0.345 0.000 3.230 1541 Q HA 0.136 4.476 4.340 -0.001 0.000 0.303 1541 Q C -2.487 173.081 176.000 -0.720 0.000 0.884 1541 Q CA -1.267 53.997 55.803 -0.898 0.000 0.859 1541 Q CB 1.525 29.923 28.738 -0.567 0.000 1.432 1541 Q HN 0.009 nan 8.270 nan 0.000 0.403 1542 P HA 0.030 nan 4.420 nan 0.000 0.228 1542 P C 0.649 177.770 177.300 -0.299 0.000 1.748 1542 P CA 0.152 63.084 63.100 -0.279 0.000 0.909 1542 P CB -0.238 31.371 31.700 -0.152 0.000 1.882 1543 I N 0.606 120.891 120.570 -0.474 0.000 2.423 1543 I HA -0.281 3.888 4.170 -0.001 0.000 0.254 1543 I C 1.512 177.419 176.117 -0.350 0.000 1.151 1543 I CA 1.634 62.666 61.300 -0.446 0.000 1.421 1543 I CB 0.178 37.733 38.000 -0.741 0.000 1.079 1543 I HN 0.007 nan 8.210 nan 0.000 0.431 1544 E N 0.643 120.748 120.200 -0.159 0.000 2.152 1544 E HA -0.122 4.227 4.350 -0.001 0.000 0.192 1544 E C 2.082 178.806 176.600 0.207 0.000 0.983 1544 E CA 1.112 57.601 56.400 0.148 0.000 0.818 1544 E CB -0.135 29.765 29.700 0.332 0.000 0.758 1544 E HN 0.525 nan 8.360 nan 0.000 0.467 1545 I N 0.482 121.085 120.570 0.055 0.000 2.202 1545 I HA -0.262 3.907 4.170 -0.001 0.000 0.242 1545 I C 2.026 178.084 176.117 -0.099 0.000 1.091 1545 I CA 1.005 62.307 61.300 0.003 0.000 1.368 1545 I CB -0.174 37.801 38.000 -0.043 0.000 1.058 1545 I HN 0.123 nan 8.210 nan 0.000 0.410 1546 L N 0.032 121.137 121.223 -0.198 0.000 2.046 1546 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 1546 L C 2.748 179.423 176.870 -0.324 0.000 1.077 1546 L CA 1.401 56.008 54.840 -0.388 0.000 0.747 1546 L CB -0.676 41.224 42.059 -0.266 0.000 0.896 1546 L HN 0.179 nan 8.230 nan 0.000 0.432 1547 R N -0.643 119.666 120.500 -0.318 0.000 2.103 1547 R HA -0.154 4.185 4.340 -0.001 0.000 0.242 1547 R C 2.313 178.653 176.300 0.066 0.000 1.142 1547 R CA 2.042 57.907 56.100 -0.391 0.000 0.960 1547 R CB -0.529 29.052 30.300 -1.198 0.000 0.858 1547 R HN 0.327 nan 8.270 nan 0.000 0.439 1548 T N 0.929 115.589 114.554 0.176 0.000 2.851 1548 T HA 0.004 4.353 4.350 -0.001 0.000 0.262 1548 T C 1.789 176.594 174.700 0.175 0.000 1.043 1548 T CA 0.645 62.935 62.100 0.318 0.000 1.140 1548 T CB 0.028 69.192 68.868 0.493 0.000 0.872 1548 T HN 0.022 nan 8.240 nan 0.000 0.446 1549 I N 1.319 121.878 120.570 -0.018 0.000 2.179 1549 I HA -0.138 4.031 4.170 -0.001 0.000 0.242 1549 I C 2.146 178.201 176.117 -0.104 0.000 1.088 1549 I CA 1.704 62.889 61.300 -0.193 0.000 1.357 1549 I CB -1.304 36.510 38.000 -0.311 0.000 1.051 1549 I HN 0.440 nan 8.210 nan 0.000 0.409 1550 H N 0.270 119.296 119.070 -0.073 0.000 2.457 1550 H HA -0.100 4.455 4.556 -0.001 0.000 0.294 1550 H C 2.405 177.567 175.328 -0.277 0.000 1.064 1550 H CA 1.244 57.201 56.048 -0.152 0.000 1.330 1550 H CB 0.157 29.761 29.762 -0.263 0.000 1.395 1550 H HN 0.381 nan 8.280 nan 0.000 0.541 1551 S N 0.373 116.027 115.700 -0.077 0.000 2.442 1551 S HA -0.165 4.304 4.470 -0.001 0.000 0.236 1551 S C 1.540 176.077 174.600 -0.105 0.000 1.007 1551 S CA 0.881 59.078 58.200 -0.005 0.000 0.965 1551 S CB -0.535 62.770 63.200 0.175 0.000 0.773 1551 S HN 0.297 nan 8.310 nan 0.000 0.504 1552 F N 1.877 121.796 119.950 -0.052 0.000 2.748 1552 F HA 0.212 4.738 4.527 -0.002 0.000 0.299 1552 F C 0.937 176.712 175.800 -0.041 0.000 1.154 1552 F CA 0.360 58.353 58.000 -0.010 0.000 1.446 1552 F CB -0.418 38.592 39.000 0.017 0.000 1.112 1552 F HN 0.140 nan 8.300 nan 0.000 0.584 1553 D N 0.314 120.708 120.400 -0.010 0.000 2.746 1553 D HA -0.147 4.492 4.640 -0.001 0.000 0.241 1553 D C -2.555 173.821 176.300 0.126 0.000 1.140 1553 D CA -0.143 53.751 54.000 -0.176 0.000 0.707 1553 D CB -0.491 40.012 40.800 -0.495 0.000 1.034 1553 D HN 0.081 nan 8.370 nan 0.000 0.423 1554 P HA 0.139 nan 4.420 nan 0.000 0.269 1554 P C -0.161 177.290 177.300 0.252 0.000 1.209 1554 P CA -0.487 62.814 63.100 0.335 0.000 0.776 1554 P CB 1.127 33.041 31.700 0.357 0.000 0.876 1555 C N 5.364 124.811 119.300 0.245 0.000 2.571 1555 C HA 0.345 4.804 4.460 -0.001 0.000 0.343 1555 C C 1.104 176.218 174.990 0.207 0.000 1.082 1555 C CA -0.484 58.658 59.018 0.207 0.000 1.339 1555 C CB -0.815 27.045 27.740 0.200 0.000 1.893 1555 C HN 0.450 nan 8.230 nan 0.000 0.445 1556 I N 4.120 124.802 120.570 0.187 0.000 3.030 1556 I HA 0.099 4.268 4.170 -0.001 0.000 0.270 1556 I C 2.433 178.664 176.117 0.190 0.000 1.211 1556 I CA 1.368 62.783 61.300 0.192 0.000 1.479 1556 I CB -1.359 36.763 38.000 0.203 0.000 1.105 1556 I HN 0.796 nan 8.210 nan 0.000 0.447 1557 A N 0.113 123.038 122.820 0.176 0.000 1.898 1557 A HA -0.201 4.118 4.320 -0.001 0.000 0.216 1557 A C 2.566 180.278 177.584 0.213 0.000 1.181 1557 A CA 1.676 53.817 52.037 0.173 0.000 0.620 1557 A CB -1.146 17.947 19.000 0.154 0.000 0.819 1557 A HN 0.446 nan 8.150 nan 0.000 0.442 1558 C N -1.050 118.398 119.300 0.247 0.000 2.413 1558 C HA -0.006 4.453 4.460 -0.001 0.000 0.276 1558 C C 3.348 178.571 174.990 0.388 0.000 1.236 1558 C CA 1.003 60.215 59.018 0.323 0.000 1.735 1558 C CB -1.273 26.677 27.740 0.350 0.000 2.031 1558 C HN 0.695 nan 8.230 nan 0.000 0.474 1559 A N -0.450 122.543 122.820 0.287 0.000 1.933 1559 A HA -0.077 4.242 4.320 -0.001 0.000 0.218 1559 A C 2.169 179.868 177.584 0.192 0.000 1.175 1559 A CA 2.374 54.555 52.037 0.241 0.000 0.628 1559 A CB -0.426 18.659 19.000 0.142 0.000 0.814 1559 A HN 0.416 nan 8.150 nan 0.000 0.444 1560 V N -0.131 119.851 119.914 0.113 0.000 2.672 1560 V HA 0.078 4.198 4.120 -0.001 0.000 0.242 1560 V C 0.929 176.710 176.094 -0.521 0.000 1.059 1560 V CA 0.690 62.922 62.300 -0.115 0.000 1.081 1560 V CB -0.994 30.879 31.823 0.083 0.000 0.752 1560 V HN 0.875 nan 8.190 nan 0.000 0.472 1561 H N 0.000 119.114 119.070 0.073 0.000 2.539 1561 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 1561 H CA 0.000 56.059 56.048 0.018 0.000 1.023 1561 H CB 0.000 29.744 29.762 -0.030 0.000 1.292 1561 H HN 0.000 nan 8.280 nan 0.000 0.496