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 1gc3_1_C DATA FIRST_RESID 1001 DATA SEQUENCE MRGLSRRVQA MKPDAVVAVN AKALELRRQG VDLVALTAGE PDFDTPEHVK DATA SEQUENCE EAARRALAQG KTKYAPPAGI PELREALAEK FRRENGLSVT PEETIVTVGG DATA SEQUENCE SQALFNLFQA ILDPGDEVIV LSPYWVSYPE MVRFAGGVVV EVETLPEEGF DATA SEQUENCE VPDPERVRRA ITPRTKALVV NSPNNPTGAV YPKEVLEALA RLAVEHDFYL DATA SEQUENCE VSDEIYEHLL YEGEHFSPGR VAPEHTLTVN GAAKAFAMTG WRIGYACGPK DATA SEQUENCE EVIKAMASVS RQSTTSPDTI AQWATLEALT NQEASRAFVE MAREAYRRRR DATA SEQUENCE DLLLEGLTAL GLKAVRPSGA FYVLMDTSPI APDEVRAAER LLEAGVAVVP DATA SEQUENCE GTDFAAFGHV RLSYATSEEN LRKALERFAR VL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.301 176.300 0.002 0.000 1.140 1001 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1001 M CB 0.000 32.600 32.600 0.000 0.000 1.302 1002 R N -0.517 119.985 120.500 0.003 0.000 2.710 1002 R HA 0.739 5.079 4.340 -0.000 0.000 0.270 1002 R C -1.172 175.131 176.300 0.004 0.000 1.021 1002 R CA -0.474 55.629 56.100 0.004 0.000 0.889 1002 R CB 2.250 32.553 30.300 0.005 0.000 1.243 1002 R HN 1.066 nan 8.270 nan 0.000 0.464 1003 G N 1.069 109.872 108.800 0.006 0.000 2.326 1003 G HA2 0.080 4.040 3.960 -0.000 0.000 0.413 1003 G HA3 0.080 4.040 3.960 -0.000 0.000 0.413 1003 G C -1.231 173.674 174.900 0.008 0.000 1.444 1003 G CA -1.079 44.025 45.100 0.006 0.000 1.002 1003 G HN 0.313 nan 8.290 nan 0.000 0.649 1004 L N 0.441 121.670 121.223 0.010 0.000 2.479 1004 L HA 0.538 4.878 4.340 -0.000 0.000 0.248 1004 L C 1.548 178.423 176.870 0.007 0.000 1.205 1004 L CA -0.303 54.545 54.840 0.014 0.000 0.817 1004 L CB 0.852 42.923 42.059 0.020 0.000 1.162 1004 L HN 0.864 nan 8.230 nan 0.000 0.486 1005 S N -0.581 115.124 115.700 0.009 0.000 2.601 1005 S HA 0.223 4.693 4.470 -0.000 0.000 0.271 1005 S C 0.721 175.308 174.600 -0.020 0.000 1.305 1005 S CA -0.732 57.461 58.200 -0.012 0.000 1.022 1005 S CB 1.618 64.806 63.200 -0.020 0.000 0.940 1005 S HN 0.635 nan 8.310 nan 0.000 0.525 1006 R N 1.291 121.766 120.500 -0.041 0.000 2.115 1006 R HA -0.113 4.227 4.340 -0.000 0.000 0.230 1006 R C 2.498 178.764 176.300 -0.058 0.000 1.111 1006 R CA 1.537 57.612 56.100 -0.043 0.000 0.976 1006 R CB -0.204 30.065 30.300 -0.050 0.000 0.870 1006 R HN 0.892 nan 8.270 nan 0.000 0.445 1007 R N -0.819 119.614 120.500 -0.111 0.000 2.073 1007 R HA -0.022 4.318 4.340 -0.000 0.000 0.229 1007 R C 1.933 178.215 176.300 -0.030 0.000 1.120 1007 R CA 1.381 57.370 56.100 -0.184 0.000 0.967 1007 R CB -0.678 29.329 30.300 -0.489 0.000 0.862 1007 R HN 0.069 nan 8.270 nan 0.000 0.436 1008 V N 1.413 121.357 119.914 0.050 0.000 2.488 1008 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 1008 V C 2.339 178.496 176.094 0.105 0.000 1.046 1008 V CA 1.599 64.008 62.300 0.182 0.000 1.053 1008 V CB -0.124 31.800 31.823 0.169 0.000 0.679 1008 V HN 0.409 nan 8.190 nan 0.000 0.458 1009 Q N -0.308 119.524 119.800 0.052 0.000 2.046 1009 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 1009 Q C 2.325 178.345 176.000 0.032 0.000 0.975 1009 Q CA 1.631 57.454 55.803 0.033 0.000 0.836 1009 Q CB -0.381 28.366 28.738 0.015 0.000 0.896 1009 Q HN 0.650 nan 8.270 nan 0.000 0.428 1010 A N 1.538 124.373 122.820 0.026 0.000 2.131 1010 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 1010 A C 1.333 178.941 177.584 0.039 0.000 1.158 1010 A CA 0.631 52.680 52.037 0.021 0.000 0.665 1010 A CB -0.785 18.215 19.000 -0.000 0.000 0.795 1010 A HN 0.501 nan 8.150 nan 0.000 0.460 1011 M N -0.168 119.477 119.600 0.074 0.000 2.211 1011 M HA 0.443 4.923 4.480 -0.000 0.000 0.356 1011 M C -0.150 176.168 176.300 0.031 0.000 1.216 1011 M CA -0.586 54.759 55.300 0.075 0.000 1.134 1011 M CB 0.597 33.285 32.600 0.146 0.000 1.564 1011 M HN 0.164 nan 8.290 nan 0.000 0.463 1012 K N 3.983 124.386 120.400 0.005 0.000 2.174 1012 K HA 0.591 4.911 4.320 -0.000 0.000 0.275 1012 K C -2.473 174.106 176.600 -0.035 0.000 1.015 1012 K CA -1.231 55.046 56.287 -0.016 0.000 0.933 1012 K CB 0.531 33.017 32.500 -0.024 0.000 1.025 1012 K HN 0.542 nan 8.250 nan 0.000 0.463 1013 P HA -0.044 nan 4.420 nan 0.000 0.272 1013 P C -0.887 176.379 177.300 -0.057 0.000 1.248 1013 P CA -0.073 63.005 63.100 -0.036 0.000 0.799 1013 P CB 0.375 32.062 31.700 -0.022 0.000 0.997 1014 D N -0.233 120.137 120.400 -0.051 0.000 2.380 1014 D HA 0.242 4.882 4.640 -0.000 0.000 0.230 1014 D C 1.327 177.604 176.300 -0.038 0.000 1.154 1014 D CA -0.112 53.853 54.000 -0.059 0.000 0.859 1014 D CB 1.331 42.101 40.800 -0.050 0.000 1.045 1014 D HN 0.291 nan 8.370 nan 0.000 0.495 1015 A N 3.248 126.033 122.820 -0.057 0.000 1.954 1015 A HA -0.234 4.086 4.320 -0.000 0.000 0.222 1015 A C 2.084 179.686 177.584 0.029 0.000 1.199 1015 A CA 1.679 53.705 52.037 -0.019 0.000 0.657 1015 A CB -0.355 18.624 19.000 -0.034 0.000 0.823 1015 A HN 0.506 nan 8.150 nan 0.000 0.463 1016 V N -0.930 119.011 119.914 0.045 0.000 2.256 1016 V HA -0.183 3.937 4.120 -0.000 0.000 0.240 1016 V C 2.511 178.636 176.094 0.051 0.000 1.036 1016 V CA 1.645 63.992 62.300 0.077 0.000 1.008 1016 V CB -0.914 30.979 31.823 0.116 0.000 0.648 1016 V HN 0.353 nan 8.190 nan 0.000 0.453 1017 V N 0.656 120.592 119.914 0.035 0.000 2.363 1017 V HA -0.360 3.759 4.120 -0.000 0.000 0.254 1017 V C 2.641 178.745 176.094 0.018 0.000 1.074 1017 V CA 2.243 64.557 62.300 0.023 0.000 1.069 1017 V CB -1.316 30.512 31.823 0.008 0.000 0.659 1017 V HN 0.575 nan 8.190 nan 0.000 0.455 1018 A N -0.053 122.775 122.820 0.014 0.000 1.828 1018 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 1018 A C 2.352 179.947 177.584 0.019 0.000 1.203 1018 A CA 2.154 54.198 52.037 0.012 0.000 0.614 1018 A CB -0.928 18.077 19.000 0.008 0.000 0.844 1018 A HN 0.325 nan 8.150 nan 0.000 0.445 1019 V N 1.178 121.108 119.914 0.027 0.000 2.370 1019 V HA -0.351 3.769 4.120 -0.000 0.000 0.252 1019 V C 2.306 178.418 176.094 0.031 0.000 1.068 1019 V CA 2.415 64.734 62.300 0.032 0.000 1.061 1019 V CB -1.332 30.517 31.823 0.044 0.000 0.656 1019 V HN 0.569 nan 8.190 nan 0.000 0.455 1020 N N 0.515 119.234 118.700 0.031 0.000 2.062 1020 N HA -0.090 4.650 4.740 -0.000 0.000 0.191 1020 N C 1.959 177.481 175.510 0.020 0.000 1.042 1020 N CA 1.791 54.858 53.050 0.027 0.000 0.845 1020 N CB -0.937 37.568 38.487 0.029 0.000 1.024 1020 N HN 0.450 nan 8.380 nan 0.000 0.424 1021 A N 1.101 123.931 122.820 0.016 0.000 1.863 1021 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 1021 A C 1.629 179.220 177.584 0.012 0.000 1.233 1021 A CA 1.586 53.630 52.037 0.012 0.000 0.655 1021 A CB -0.692 18.313 19.000 0.009 0.000 0.839 1021 A HN 0.283 nan 8.150 nan 0.000 0.454 1022 K N -0.114 120.294 120.400 0.014 0.000 3.226 1022 K HA 0.413 4.733 4.320 -0.000 0.000 0.268 1022 K C 0.662 177.272 176.600 0.017 0.000 1.217 1022 K CA 0.212 56.507 56.287 0.014 0.000 1.242 1022 K CB -0.358 32.150 32.500 0.013 0.000 1.389 1022 K HN 0.500 nan 8.250 nan 0.000 0.406 1023 A N 0.649 123.480 122.820 0.017 0.000 2.759 1023 A HA 0.074 4.394 4.320 -0.000 0.000 0.214 1023 A C 0.655 178.247 177.584 0.013 0.000 2.342 1023 A CA -0.154 51.893 52.037 0.018 0.000 1.364 1023 A CB -0.676 18.336 19.000 0.019 0.000 1.221 1023 A HN 0.509 nan 8.150 nan 0.000 0.468 1024 L N 0.652 121.881 121.223 0.011 0.000 8.248 1024 L HA -0.134 4.206 4.340 -0.000 0.000 0.409 1024 L C -0.270 176.604 176.870 0.007 0.000 1.799 1024 L CA 1.936 56.781 54.840 0.008 0.000 0.398 1024 L CB -1.885 40.178 42.059 0.006 0.000 1.396 1024 L HN 0.606 nan 8.230 nan 0.000 0.182 1025 E N -1.021 119.183 120.200 0.007 0.000 2.332 1025 E HA 0.311 4.661 4.350 -0.000 0.000 0.212 1025 E C -0.296 176.309 176.600 0.008 0.000 1.175 1025 E CA 0.186 56.590 56.400 0.006 0.000 0.482 1025 E CB -1.255 28.449 29.700 0.006 0.000 0.922 1025 E HN 0.346 nan 8.360 nan 0.000 0.426 1026 L N -0.581 120.647 121.223 0.008 0.000 1.246 1026 L HA -0.037 4.303 4.340 -0.000 0.000 0.049 1026 L C 2.005 178.881 176.870 0.009 0.000 1.542 1026 L CA 0.270 55.116 54.840 0.010 0.000 1.111 1026 L CB -0.745 41.322 42.059 0.013 0.000 2.220 1026 L HN 0.227 nan 8.230 nan 0.000 0.434 1027 R N 1.016 121.521 120.500 0.009 0.000 2.062 1027 R HA -0.022 4.318 4.340 -0.000 0.000 0.229 1027 R C 1.204 177.507 176.300 0.005 0.000 1.128 1027 R CA 1.312 57.416 56.100 0.007 0.000 0.960 1027 R CB 0.107 30.411 30.300 0.007 0.000 0.855 1027 R HN 0.001 nan 8.270 nan 0.000 0.432 1028 R N 1.150 121.653 120.500 0.005 0.000 4.792 1028 R HA 0.051 4.391 4.340 -0.000 0.000 0.205 1028 R C -0.932 175.370 176.300 0.003 0.000 1.875 1028 R CA 0.415 56.517 56.100 0.003 0.000 1.588 1028 R CB -0.439 29.863 30.300 0.003 0.000 1.401 1028 R HN 0.346 nan 8.270 nan 0.000 0.834 1029 Q N -0.580 119.222 119.800 0.003 0.000 3.293 1029 Q HA 0.049 4.389 4.340 -0.000 0.000 0.125 1029 Q C 0.079 176.082 176.000 0.004 0.000 0.561 1029 Q CA 0.383 56.188 55.803 0.003 0.000 1.020 1029 Q CB -0.794 27.946 28.738 0.004 0.000 1.481 1029 Q HN 0.471 nan 8.270 nan 0.000 0.359 1030 G N -0.173 108.628 108.800 0.003 0.000 4.890 1030 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.221 1030 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.221 1030 G C -0.019 174.883 174.900 0.004 0.000 1.472 1030 G CA -0.190 44.912 45.100 0.003 0.000 0.962 1030 G HN 0.788 nan 8.290 nan 0.000 0.671 1031 V N 3.905 123.823 119.914 0.006 0.000 2.628 1031 V HA 0.290 4.410 4.120 -0.000 0.000 0.282 1031 V C 0.688 176.786 176.094 0.007 0.000 0.968 1031 V CA 0.844 63.149 62.300 0.007 0.000 1.171 1031 V CB -0.151 31.678 31.823 0.010 0.000 0.899 1031 V HN 0.781 nan 8.190 nan 0.000 0.462 1032 D N 6.624 127.026 120.400 0.005 0.000 2.304 1032 D HA 0.478 5.117 4.640 -0.000 0.000 0.250 1032 D C -0.247 176.056 176.300 0.005 0.000 1.107 1032 D CA -0.384 53.618 54.000 0.002 0.000 0.885 1032 D CB 1.289 42.088 40.800 -0.001 0.000 1.192 1032 D HN 0.398 nan 8.370 nan 0.000 0.436 1033 L N -0.171 121.056 121.223 0.006 0.000 2.277 1033 L HA 0.730 5.070 4.340 -0.000 0.000 0.254 1033 L C -0.670 176.202 176.870 0.003 0.000 1.044 1033 L CA -1.396 53.451 54.840 0.011 0.000 0.842 1033 L CB 1.190 43.261 42.059 0.021 0.000 1.422 1033 L HN 0.148 nan 8.230 nan 0.000 0.422 1034 V N 0.360 120.276 119.914 0.002 0.000 2.459 1034 V HA 0.687 4.807 4.120 -0.000 0.000 0.295 1034 V C 0.348 176.446 176.094 0.006 0.000 1.029 1034 V CA -0.439 61.853 62.300 -0.013 0.000 0.874 1034 V CB 1.390 33.189 31.823 -0.040 0.000 0.985 1034 V HN 0.916 nan 8.190 nan 0.000 0.438 1035 A N 5.359 128.181 122.820 0.003 0.000 2.412 1035 A HA 0.639 4.959 4.320 -0.000 0.000 0.334 1035 A C 0.170 177.767 177.584 0.022 0.000 1.419 1035 A CA -0.374 51.674 52.037 0.019 0.000 0.930 1035 A CB -0.009 19.001 19.000 0.017 0.000 1.149 1035 A HN 0.880 nan 8.150 nan 0.000 0.515 1036 L N 2.690 123.940 121.223 0.046 0.000 2.779 1036 L HA 0.053 4.393 4.340 -0.000 0.000 0.239 1036 L C 2.027 178.942 176.870 0.076 0.000 1.245 1036 L CA 0.633 55.508 54.840 0.059 0.000 1.064 1036 L CB -0.579 41.541 42.059 0.101 0.000 1.350 1036 L HN 0.894 nan 8.230 nan 0.000 0.455 1037 T N -3.224 111.370 114.554 0.067 0.000 3.009 1037 T HA 0.137 4.487 4.350 -0.000 0.000 0.258 1037 T C 1.199 175.965 174.700 0.111 0.000 1.063 1037 T CA 0.342 62.493 62.100 0.086 0.000 1.139 1037 T CB 0.034 68.947 68.868 0.075 0.000 0.890 1037 T HN 0.274 nan 8.240 nan 0.000 0.471 1038 A N 0.977 123.839 122.820 0.070 0.000 2.552 1038 A HA 0.297 4.617 4.320 -0.000 0.000 0.275 1038 A C 1.515 179.203 177.584 0.174 0.000 0.917 1038 A CA 0.627 52.697 52.037 0.056 0.000 1.021 1038 A CB -0.702 18.254 19.000 -0.073 0.000 0.774 1038 A HN 0.734 nan 8.150 nan 0.000 0.426 1039 G N 1.806 110.731 108.800 0.207 0.000 2.784 1039 G HA2 0.284 4.243 3.960 -0.000 0.000 0.208 1039 G HA3 0.284 4.243 3.960 -0.000 0.000 0.208 1039 G C 0.386 175.486 174.900 0.334 0.000 1.120 1039 G CA 0.476 45.817 45.100 0.402 0.000 0.774 1039 G HN 0.925 nan 8.290 nan 0.000 0.528 1040 E N 1.716 121.978 120.200 0.104 0.000 2.242 1040 E HA 0.430 4.780 4.350 -0.000 0.000 0.275 1040 E C -2.753 173.764 176.600 -0.140 0.000 1.002 1040 E CA -2.436 53.996 56.400 0.054 0.000 0.841 1040 E CB 1.727 31.474 29.700 0.078 0.000 1.109 1040 E HN -0.014 nan 8.360 nan 0.000 0.394 1041 P HA -0.022 nan 4.420 nan 0.000 0.276 1041 P C 0.147 177.472 177.300 0.042 0.000 1.230 1041 P CA -0.159 62.962 63.100 0.035 0.000 0.776 1041 P CB 0.911 32.861 31.700 0.417 0.000 0.888 1042 D N 2.670 122.999 120.400 -0.119 0.000 2.221 1042 D HA -0.160 4.480 4.640 -0.000 0.000 0.204 1042 D C 0.335 176.559 176.300 -0.127 0.000 0.982 1042 D CA 0.757 54.637 54.000 -0.199 0.000 0.857 1042 D CB -0.631 39.954 40.800 -0.359 0.000 0.934 1042 D HN 0.317 nan 8.370 nan 0.000 0.475 1043 F N 1.214 121.251 119.950 0.145 0.000 2.459 1043 F HA 0.158 4.685 4.527 -0.000 0.000 0.346 1043 F C 1.210 177.135 175.800 0.207 0.000 1.128 1043 F CA -0.744 57.379 58.000 0.205 0.000 1.268 1043 F CB 0.439 39.651 39.000 0.353 0.000 1.161 1043 F HN -0.225 nan 8.300 nan 0.000 0.583 1044 D N 0.907 121.528 120.400 0.369 0.000 2.225 1044 D HA 0.076 4.716 4.640 -0.000 0.000 0.249 1044 D C -0.147 176.230 176.300 0.129 0.000 1.052 1044 D CA -0.397 53.733 54.000 0.217 0.000 0.909 1044 D CB 1.293 42.181 40.800 0.146 0.000 1.186 1044 D HN 0.551 nan 8.370 nan 0.000 0.431 1045 T N 2.164 116.781 114.554 0.105 0.000 2.933 1045 T HA 0.143 4.493 4.350 -0.000 0.000 0.306 1045 T C -2.174 172.374 174.700 -0.252 0.000 1.045 1045 T CA -0.950 61.103 62.100 -0.078 0.000 1.143 1045 T CB 0.275 69.203 68.868 0.101 0.000 1.003 1045 T HN 0.205 nan 8.240 nan 0.000 0.540 1046 P HA 0.003 nan 4.420 nan 0.000 0.268 1046 P C 0.943 178.123 177.300 -0.199 0.000 1.189 1046 P CA -0.041 62.797 63.100 -0.436 0.000 0.771 1046 P CB 0.426 31.848 31.700 -0.464 0.000 0.822 1047 E N 1.486 121.655 120.200 -0.052 0.000 2.152 1047 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 1047 E C 1.666 178.263 176.600 -0.005 0.000 0.983 1047 E CA 1.140 57.533 56.400 -0.011 0.000 0.818 1047 E CB -0.396 29.312 29.700 0.014 0.000 0.758 1047 E HN 0.641 nan 8.360 nan 0.000 0.467 1048 H N -0.480 118.509 119.070 -0.135 0.000 2.545 1048 H HA 0.022 4.578 4.556 -0.000 0.000 0.282 1048 H C 1.844 177.076 175.328 -0.160 0.000 1.020 1048 H CA 0.673 56.643 56.048 -0.129 0.000 1.243 1048 H CB -0.490 29.191 29.762 -0.135 0.000 1.377 1048 H HN -0.053 nan 8.280 nan 0.000 0.581 1049 V N 1.524 121.057 119.914 -0.634 0.000 2.300 1049 V HA -0.142 3.978 4.120 -0.000 0.000 0.241 1049 V C 2.604 178.516 176.094 -0.305 0.000 1.034 1049 V CA 1.428 63.349 62.300 -0.631 0.000 1.021 1049 V CB -0.398 30.981 31.823 -0.740 0.000 0.662 1049 V HN 0.224 nan 8.190 nan 0.000 0.458 1050 K N 0.234 120.549 120.400 -0.141 0.000 2.089 1050 K HA -0.298 4.022 4.320 -0.000 0.000 0.210 1050 K C 2.208 178.840 176.600 0.054 0.000 1.048 1050 K CA 2.173 58.510 56.287 0.083 0.000 0.926 1050 K CB -0.257 32.299 32.500 0.093 0.000 0.714 1050 K HN 0.604 nan 8.250 nan 0.000 0.448 1051 E N 0.796 120.993 120.200 -0.005 0.000 2.023 1051 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 1051 E C 2.025 178.623 176.600 -0.003 0.000 1.003 1051 E CA 1.370 57.771 56.400 0.002 0.000 0.809 1051 E CB -0.145 29.555 29.700 0.001 0.000 0.755 1051 E HN 0.310 nan 8.360 nan 0.000 0.449 1052 A N 1.201 124.002 122.820 -0.033 0.000 1.948 1052 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 1052 A C 2.398 179.996 177.584 0.023 0.000 1.177 1052 A CA 2.262 54.286 52.037 -0.021 0.000 0.636 1052 A CB -0.890 18.077 19.000 -0.055 0.000 0.815 1052 A HN 0.480 nan 8.150 nan 0.000 0.449 1053 A N -0.136 122.721 122.820 0.061 0.000 1.858 1053 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 1053 A C 2.226 179.868 177.584 0.098 0.000 1.190 1053 A CA 1.541 53.675 52.037 0.160 0.000 0.617 1053 A CB -0.516 18.701 19.000 0.362 0.000 0.827 1053 A HN 0.570 nan 8.150 nan 0.000 0.443 1054 R N -1.004 119.538 120.500 0.070 0.000 2.091 1054 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 1054 R C 2.487 178.784 176.300 -0.006 0.000 1.136 1054 R CA 1.641 57.758 56.100 0.030 0.000 0.959 1054 R CB -0.342 29.971 30.300 0.021 0.000 0.856 1054 R HN 0.519 nan 8.270 nan 0.000 0.437 1055 R N 0.497 120.985 120.500 -0.021 0.000 2.105 1055 R HA -0.134 4.206 4.340 -0.000 0.000 0.239 1055 R C 2.221 178.453 176.300 -0.113 0.000 1.135 1055 R CA 1.531 57.593 56.100 -0.063 0.000 0.967 1055 R CB -0.192 30.068 30.300 -0.067 0.000 0.861 1055 R HN 0.267 nan 8.270 nan 0.000 0.442 1056 A N 0.570 123.326 122.820 -0.107 0.000 1.898 1056 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 1056 A C 2.106 179.628 177.584 -0.102 0.000 1.181 1056 A CA 0.940 52.870 52.037 -0.179 0.000 0.620 1056 A CB -0.464 18.489 19.000 -0.077 0.000 0.819 1056 A HN 0.291 nan 8.150 nan 0.000 0.442 1057 L N -0.610 120.592 121.223 -0.035 0.000 1.989 1057 L HA -0.265 4.075 4.340 -0.000 0.000 0.211 1057 L C 3.165 180.009 176.870 -0.044 0.000 1.071 1057 L CA 1.342 56.170 54.840 -0.021 0.000 0.749 1057 L CB -0.603 41.453 42.059 -0.004 0.000 0.890 1057 L HN 0.452 nan 8.230 nan 0.000 0.431 1058 A N -0.525 122.264 122.820 -0.051 0.000 1.873 1058 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 1058 A C 2.118 179.659 177.584 -0.073 0.000 1.193 1058 A CA 1.763 53.766 52.037 -0.056 0.000 0.629 1058 A CB -0.617 18.350 19.000 -0.055 0.000 0.826 1058 A HN 0.548 nan 8.150 nan 0.000 0.447 1059 Q N -1.348 118.386 119.800 -0.111 0.000 2.437 1059 Q HA 0.069 4.409 4.340 -0.000 0.000 0.210 1059 Q C 1.094 177.028 176.000 -0.110 0.000 0.972 1059 Q CA 0.725 56.448 55.803 -0.134 0.000 0.903 1059 Q CB -0.355 28.249 28.738 -0.224 0.000 0.967 1059 Q HN 1.107 nan 8.270 nan 0.000 0.486 1060 G N 2.111 110.860 108.800 -0.086 0.000 2.248 1060 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.263 1060 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.263 1060 G C -0.225 174.646 174.900 -0.048 0.000 1.082 1060 G CA -0.153 44.914 45.100 -0.054 0.000 0.863 1060 G HN 0.089 nan 8.290 nan 0.000 0.495 1061 K N 0.922 121.279 120.400 -0.072 0.000 2.222 1061 K HA 0.354 4.673 4.320 -0.000 0.000 0.243 1061 K C 1.080 177.721 176.600 0.069 0.000 1.160 1061 K CA 0.507 56.781 56.287 -0.021 0.000 1.090 1061 K CB 0.788 33.155 32.500 -0.223 0.000 1.694 1061 K HN 0.499 nan 8.250 nan 0.000 0.361 1062 T N -0.866 113.720 114.554 0.052 0.000 3.275 1062 T HA 0.216 4.566 4.350 -0.000 0.000 0.298 1062 T C 0.072 174.775 174.700 0.005 0.000 0.988 1062 T CA -0.319 61.802 62.100 0.036 0.000 0.936 1062 T CB 0.265 69.133 68.868 0.001 0.000 1.159 1062 T HN 0.043 nan 8.240 nan 0.000 0.519 1063 K N 0.445 120.869 120.400 0.040 0.000 2.526 1063 K HA 0.562 4.882 4.320 -0.000 0.000 0.256 1063 K C -0.757 175.891 176.600 0.080 0.000 1.035 1063 K CA -0.960 55.334 56.287 0.012 0.000 1.011 1063 K CB 0.215 32.754 32.500 0.065 0.000 1.343 1063 K HN 0.276 nan 8.250 nan 0.000 0.510 1064 Y N 0.715 121.049 120.300 0.056 0.000 2.544 1064 Y HA 0.228 4.778 4.550 -0.000 0.000 0.330 1064 Y C 0.669 176.601 175.900 0.053 0.000 1.136 1064 Y CA -0.568 57.562 58.100 0.050 0.000 1.417 1064 Y CB 0.698 39.181 38.460 0.038 0.000 1.229 1064 Y HN 0.468 nan 8.280 nan 0.000 0.532 1065 A N 5.988 128.944 122.820 0.227 0.000 2.242 1065 A HA 0.637 4.957 4.320 -0.000 0.000 0.304 1065 A C -2.502 175.130 177.584 0.079 0.000 1.100 1065 A CA -1.862 50.248 52.037 0.123 0.000 0.860 1065 A CB 0.114 19.161 19.000 0.078 0.000 1.168 1065 A HN 0.488 nan 8.150 nan 0.000 0.503 1066 P HA 0.189 nan 4.420 nan 0.000 0.274 1066 P C -1.887 175.421 177.300 0.013 0.000 1.237 1066 P CA -1.178 61.931 63.100 0.015 0.000 0.793 1066 P CB 0.300 32.002 31.700 0.003 0.000 0.977 1067 P HA -0.182 nan 4.420 nan 0.000 0.216 1067 P C 0.752 178.063 177.300 0.018 0.000 1.150 1067 P CA 1.609 64.714 63.100 0.009 0.000 0.837 1067 P CB -0.187 31.513 31.700 0.000 0.000 0.786 1068 A N -0.682 122.145 122.820 0.012 0.000 2.251 1068 A HA 0.482 4.802 4.320 -0.000 0.000 0.209 1068 A C 1.077 178.669 177.584 0.013 0.000 1.187 1068 A CA 0.683 52.731 52.037 0.017 0.000 0.823 1068 A CB -0.901 18.106 19.000 0.012 0.000 0.846 1068 A HN 0.434 nan 8.150 nan 0.000 0.486 1069 G N -0.444 108.358 108.800 0.002 0.000 2.612 1069 G HA2 0.019 3.979 3.960 -0.000 0.000 0.686 1069 G HA3 0.019 3.979 3.960 -0.000 0.000 0.686 1069 G C -0.145 174.719 174.900 -0.060 0.000 1.274 1069 G CA -0.543 44.544 45.100 -0.022 0.000 0.849 1069 G HN 1.264 nan 8.290 nan 0.000 0.595 1070 I N -0.870 119.623 120.570 -0.129 0.000 2.752 1070 I HA 0.357 4.527 4.170 -0.000 0.000 0.287 1070 I C -1.033 174.985 176.117 -0.164 0.000 1.188 1070 I CA -1.442 59.745 61.300 -0.187 0.000 1.427 1070 I CB 0.603 38.354 38.000 -0.415 0.000 1.365 1070 I HN 0.292 nan 8.210 nan 0.000 0.585 1071 P HA -0.185 nan 4.420 nan 0.000 0.213 1071 P C 1.198 178.434 177.300 -0.106 0.000 1.170 1071 P CA 1.663 64.717 63.100 -0.078 0.000 0.902 1071 P CB 0.126 31.803 31.700 -0.038 0.000 0.789 1072 E N -0.690 119.422 120.200 -0.146 0.000 2.114 1072 E HA -0.200 4.150 4.350 -0.000 0.000 0.199 1072 E C 2.012 178.512 176.600 -0.166 0.000 1.008 1072 E CA 1.011 57.325 56.400 -0.144 0.000 0.810 1072 E CB -1.085 28.507 29.700 -0.181 0.000 0.739 1072 E HN 0.193 nan 8.360 nan 0.000 0.456 1073 L N 0.017 121.100 121.223 -0.233 0.000 2.131 1073 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 1073 L C 2.256 179.039 176.870 -0.145 0.000 1.087 1073 L CA 1.118 55.839 54.840 -0.199 0.000 0.767 1073 L CB -0.028 41.899 42.059 -0.219 0.000 0.917 1073 L HN 0.098 nan 8.230 nan 0.000 0.441 1074 R N -0.124 120.311 120.500 -0.108 0.000 2.073 1074 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 1074 R C 2.065 178.332 176.300 -0.055 0.000 1.134 1074 R CA 1.708 57.771 56.100 -0.061 0.000 0.952 1074 R CB -0.251 30.028 30.300 -0.035 0.000 0.850 1074 R HN 0.478 nan 8.270 nan 0.000 0.433 1075 E N 0.520 120.686 120.200 -0.058 0.000 2.038 1075 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 1075 E C 2.043 178.611 176.600 -0.054 0.000 1.000 1075 E CA 1.390 57.765 56.400 -0.041 0.000 0.803 1075 E CB -0.202 29.477 29.700 -0.035 0.000 0.750 1075 E HN 0.374 nan 8.360 nan 0.000 0.448 1076 A N 0.937 123.708 122.820 -0.083 0.000 2.015 1076 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 1076 A C 2.075 179.568 177.584 -0.151 0.000 1.163 1076 A CA 0.788 52.765 52.037 -0.101 0.000 0.646 1076 A CB -0.261 18.673 19.000 -0.110 0.000 0.806 1076 A HN 0.099 nan 8.150 nan 0.000 0.448 1077 L N -0.376 120.739 121.223 -0.179 0.000 2.007 1077 L HA 0.003 4.343 4.340 -0.000 0.000 0.205 1077 L C 2.902 179.694 176.870 -0.129 0.000 1.073 1077 L CA 1.943 56.617 54.840 -0.277 0.000 0.744 1077 L CB -1.365 40.564 42.059 -0.216 0.000 0.898 1077 L HN 0.373 nan 8.230 nan 0.000 0.435 1078 A N -0.851 121.967 122.820 -0.003 0.000 1.958 1078 A HA -0.306 4.014 4.320 -0.000 0.000 0.221 1078 A C 2.257 179.873 177.584 0.053 0.000 1.178 1078 A CA 2.104 54.186 52.037 0.075 0.000 0.642 1078 A CB -0.632 18.392 19.000 0.040 0.000 0.816 1078 A HN 0.491 nan 8.150 nan 0.000 0.453 1079 E N 0.227 120.419 120.200 -0.012 0.000 2.047 1079 E HA -0.182 4.167 4.350 -0.000 0.000 0.191 1079 E C 2.062 178.647 176.600 -0.025 0.000 0.987 1079 E CA 1.676 58.067 56.400 -0.014 0.000 0.799 1079 E CB -0.249 29.433 29.700 -0.031 0.000 0.752 1079 E HN 0.540 nan 8.360 nan 0.000 0.449 1080 K N -0.042 120.293 120.400 -0.107 0.000 2.002 1080 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 1080 K C 2.152 178.706 176.600 -0.076 0.000 1.048 1080 K CA 1.524 57.724 56.287 -0.146 0.000 0.930 1080 K CB -0.754 31.556 32.500 -0.317 0.000 0.714 1080 K HN 0.282 nan 8.250 nan 0.000 0.438 1081 F N 1.113 121.044 119.950 -0.031 0.000 2.307 1081 F HA -0.157 4.370 4.527 -0.000 0.000 0.301 1081 F C 2.729 178.523 175.800 -0.011 0.000 1.076 1081 F CA 0.693 58.683 58.000 -0.016 0.000 1.383 1081 F CB 0.063 39.051 39.000 -0.021 0.000 1.055 1081 F HN 0.075 nan 8.300 nan 0.000 0.526 1082 R N -0.044 120.552 120.500 0.160 0.000 2.040 1082 R HA -0.000 4.340 4.340 -0.000 0.000 0.219 1082 R C 2.217 178.560 176.300 0.073 0.000 1.216 1082 R CA 0.519 56.676 56.100 0.094 0.000 0.952 1082 R CB -0.697 29.641 30.300 0.063 0.000 0.833 1082 R HN 0.093 nan 8.270 nan 0.000 0.456 1083 R N 1.059 121.591 120.500 0.052 0.000 2.196 1083 R HA -0.254 4.086 4.340 -0.000 0.000 0.244 1083 R C 2.123 178.459 176.300 0.060 0.000 1.121 1083 R CA 2.519 58.646 56.100 0.046 0.000 0.930 1083 R CB -0.261 30.058 30.300 0.032 0.000 0.890 1083 R HN 0.389 nan 8.270 nan 0.000 0.435 1084 E N -1.275 118.967 120.200 0.069 0.000 2.158 1084 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 1084 E C 1.372 178.028 176.600 0.094 0.000 0.982 1084 E CA 1.184 57.636 56.400 0.087 0.000 0.823 1084 E CB 0.064 29.822 29.700 0.097 0.000 0.766 1084 E HN 0.503 nan 8.360 nan 0.000 0.468 1085 N N -1.239 117.526 118.700 0.108 0.000 2.294 1085 N HA 0.095 4.835 4.740 -0.000 0.000 0.186 1085 N C 0.852 176.384 175.510 0.036 0.000 1.107 1085 N CA 0.386 53.493 53.050 0.096 0.000 0.884 1085 N CB 1.455 40.046 38.487 0.173 0.000 1.030 1085 N HN 0.164 nan 8.380 nan 0.000 0.482 1086 G N 0.596 109.424 108.800 0.047 0.000 2.179 1086 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 1086 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 1086 G C -0.287 174.616 174.900 0.005 0.000 0.977 1086 G CA -0.141 44.973 45.100 0.023 0.000 0.641 1086 G HN 0.071 nan 8.290 nan 0.000 0.533 1087 L N 1.600 122.832 121.223 0.014 0.000 2.349 1087 L HA 0.585 4.925 4.340 -0.000 0.000 0.275 1087 L C 0.761 177.641 176.870 0.015 0.000 1.115 1087 L CA 0.399 55.228 54.840 -0.017 0.000 0.820 1087 L CB 1.841 43.870 42.059 -0.051 0.000 1.135 1087 L HN 0.100 nan 8.230 nan 0.000 0.445 1088 S N 2.332 118.031 115.700 -0.002 0.000 2.217 1088 S HA 0.428 4.898 4.470 -0.000 0.000 0.168 1088 S C -0.196 174.407 174.600 0.004 0.000 1.526 1088 S CA -0.704 57.503 58.200 0.011 0.000 1.150 1088 S CB 0.286 63.490 63.200 0.007 0.000 1.158 1088 S HN 0.414 nan 8.310 nan 0.000 0.473 1089 V N 0.022 119.944 119.914 0.013 0.000 2.966 1089 V HA 0.911 5.030 4.120 -0.000 0.000 0.317 1089 V C 0.253 176.362 176.094 0.024 0.000 1.070 1089 V CA -0.679 61.625 62.300 0.008 0.000 1.008 1089 V CB 1.439 33.261 31.823 -0.002 0.000 1.070 1089 V HN 0.549 nan 8.190 nan 0.000 0.457 1090 T N -1.158 113.406 114.554 0.018 0.000 2.949 1090 T HA 0.607 4.957 4.350 -0.000 0.000 0.287 1090 T C -1.575 173.138 174.700 0.022 0.000 1.034 1090 T CA -1.661 60.450 62.100 0.018 0.000 1.018 1090 T CB 1.686 70.560 68.868 0.011 0.000 1.135 1090 T HN 0.589 nan 8.240 nan 0.000 0.532 1091 P HA -0.169 nan 4.420 nan 0.000 0.217 1091 P C 0.882 178.191 177.300 0.014 0.000 1.148 1091 P CA 1.381 64.489 63.100 0.014 0.000 0.828 1091 P CB -0.050 31.651 31.700 0.002 0.000 0.783 1092 E N 0.169 120.375 120.200 0.010 0.000 2.494 1092 E HA -0.013 4.337 4.350 -0.000 0.000 0.193 1092 E C 0.678 177.284 176.600 0.009 0.000 1.074 1092 E CA 0.170 56.575 56.400 0.009 0.000 0.867 1092 E CB -0.341 29.362 29.700 0.006 0.000 0.924 1092 E HN 0.390 nan 8.360 nan 0.000 0.502 1093 E N 0.678 120.885 120.200 0.011 0.000 2.651 1093 E HA 0.146 4.496 4.350 -0.000 0.000 0.208 1093 E C -0.548 176.059 176.600 0.011 0.000 0.997 1093 E CA -0.115 56.287 56.400 0.002 0.000 1.020 1093 E CB 1.208 30.904 29.700 -0.007 0.000 1.052 1093 E HN -0.051 nan 8.360 nan 0.000 0.465 1094 T N 1.124 115.699 114.554 0.035 0.000 2.876 1094 T HA 0.610 4.960 4.350 -0.000 0.000 0.289 1094 T C -1.236 173.506 174.700 0.069 0.000 1.014 1094 T CA -0.443 61.704 62.100 0.078 0.000 0.986 1094 T CB 1.609 70.535 68.868 0.097 0.000 1.021 1094 T HN 0.086 nan 8.240 nan 0.000 0.458 1095 I N 2.729 123.362 120.570 0.105 0.000 2.752 1095 I HA 0.668 4.838 4.170 -0.000 0.000 0.295 1095 I C -1.375 174.826 176.117 0.141 0.000 1.219 1095 I CA -0.955 60.399 61.300 0.090 0.000 1.030 1095 I CB 1.931 39.969 38.000 0.063 0.000 1.259 1095 I HN 0.407 nan 8.210 nan 0.000 0.423 1096 V N 7.270 127.250 119.914 0.110 0.000 2.304 1096 V HA 0.488 4.608 4.120 -0.000 0.000 0.278 1096 V C 0.173 176.326 176.094 0.098 0.000 1.018 1096 V CA 0.223 62.610 62.300 0.144 0.000 0.814 1096 V CB 1.298 33.196 31.823 0.125 0.000 1.021 1096 V HN 0.899 nan 8.190 nan 0.000 0.440 1097 T N 3.419 118.030 114.554 0.094 0.000 2.771 1097 T HA 0.410 4.760 4.350 -0.000 0.000 0.290 1097 T C 0.290 175.022 174.700 0.054 0.000 1.005 1097 T CA -0.407 61.732 62.100 0.065 0.000 0.944 1097 T CB 1.392 70.295 68.868 0.058 0.000 1.147 1097 T HN 0.543 nan 8.240 nan 0.000 0.534 1098 V N 1.894 121.835 119.914 0.045 0.000 2.056 1098 V HA 0.568 4.688 4.120 -0.000 0.000 0.267 1098 V C 1.129 177.238 176.094 0.026 0.000 1.535 1098 V CA 0.530 62.854 62.300 0.040 0.000 1.475 1098 V CB -1.251 30.591 31.823 0.031 0.000 1.441 1098 V HN 1.449 nan 8.190 nan 0.000 0.500 1099 G N 2.251 111.058 108.800 0.010 0.000 2.662 1099 G HA2 0.062 4.022 3.960 -0.000 0.000 0.686 1099 G HA3 0.062 4.022 3.960 -0.000 0.000 0.686 1099 G C 0.630 175.512 174.900 -0.031 0.000 1.271 1099 G CA -0.375 44.715 45.100 -0.017 0.000 0.816 1099 G HN 0.793 nan 8.290 nan 0.000 0.608 1100 G N -0.474 108.285 108.800 -0.068 0.000 2.498 1100 G HA2 0.114 4.074 3.960 -0.000 0.000 0.219 1100 G HA3 0.114 4.074 3.960 -0.000 0.000 0.219 1100 G C 1.945 176.879 174.900 0.057 0.000 1.119 1100 G CA 2.103 47.174 45.100 -0.049 0.000 0.766 1100 G HN 1.192 nan 8.290 nan 0.000 0.552 1101 S N 0.015 115.768 115.700 0.089 0.000 2.371 1101 S HA -0.116 4.354 4.470 -0.000 0.000 0.224 1101 S C 2.215 176.911 174.600 0.160 0.000 1.029 1101 S CA 1.372 59.675 58.200 0.171 0.000 0.978 1101 S CB -0.172 63.117 63.200 0.147 0.000 0.833 1101 S HN 0.603 nan 8.310 nan 0.000 0.466 1102 Q N 1.282 121.140 119.800 0.097 0.000 2.224 1102 Q HA 0.044 4.384 4.340 -0.000 0.000 0.203 1102 Q C 1.876 177.963 176.000 0.146 0.000 0.970 1102 Q CA 1.248 57.118 55.803 0.112 0.000 0.865 1102 Q CB -0.301 28.470 28.738 0.055 0.000 0.922 1102 Q HN 0.491 nan 8.270 nan 0.000 0.445 1103 A N 0.571 123.448 122.820 0.095 0.000 1.840 1103 A HA -0.079 4.240 4.320 -0.000 0.000 0.214 1103 A C 2.018 179.615 177.584 0.023 0.000 1.198 1103 A CA 1.117 53.186 52.037 0.054 0.000 0.608 1103 A CB -0.777 18.242 19.000 0.032 0.000 0.839 1103 A HN 0.443 nan 8.150 nan 0.000 0.443 1104 L N -1.859 119.401 121.223 0.061 0.000 2.079 1104 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 1104 L C 2.423 179.302 176.870 0.016 0.000 1.081 1104 L CA 1.646 56.481 54.840 -0.008 0.000 0.752 1104 L CB -0.464 41.740 42.059 0.241 0.000 0.896 1104 L HN 0.536 nan 8.230 nan 0.000 0.433 1105 F N 1.216 121.203 119.950 0.061 0.000 2.009 1105 F HA -0.229 4.298 4.527 -0.000 0.000 0.293 1105 F C 2.369 178.214 175.800 0.074 0.000 1.156 1105 F CA 1.801 59.871 58.000 0.117 0.000 1.168 1105 F CB -0.440 38.603 39.000 0.071 0.000 0.981 1105 F HN 0.041 nan 8.300 nan 0.000 0.475 1106 N N 0.949 119.804 118.700 0.258 0.000 2.242 1106 N HA -0.253 4.487 4.740 -0.000 0.000 0.191 1106 N C 1.910 177.389 175.510 -0.053 0.000 1.005 1106 N CA 1.426 54.539 53.050 0.107 0.000 0.877 1106 N CB -0.688 37.878 38.487 0.132 0.000 0.983 1106 N HN 0.457 nan 8.380 nan 0.000 0.439 1107 L N -0.688 120.450 121.223 -0.142 0.000 1.973 1107 L HA -0.092 4.247 4.340 -0.000 0.000 0.208 1107 L C 1.644 178.377 176.870 -0.228 0.000 1.073 1107 L CA 1.274 55.952 54.840 -0.269 0.000 0.746 1107 L CB -0.364 41.404 42.059 -0.486 0.000 0.891 1107 L HN 0.073 nan 8.230 nan 0.000 0.433 1108 F N -0.390 119.476 119.950 -0.140 0.000 2.250 1108 F HA -0.256 4.271 4.527 -0.000 0.000 0.301 1108 F C 2.676 178.365 175.800 -0.185 0.000 1.077 1108 F CA 0.509 58.413 58.000 -0.159 0.000 1.348 1108 F CB -0.175 38.734 39.000 -0.151 0.000 1.040 1108 F HN 0.288 nan 8.300 nan 0.000 0.509 1109 Q N -0.058 119.701 119.800 -0.067 0.000 2.297 1109 Q HA -0.042 4.298 4.340 -0.000 0.000 0.204 1109 Q C 2.369 178.341 176.000 -0.046 0.000 0.962 1109 Q CA 1.138 56.882 55.803 -0.099 0.000 0.879 1109 Q CB -0.250 28.403 28.738 -0.143 0.000 0.947 1109 Q HN 0.481 nan 8.270 nan 0.000 0.462 1110 A N 0.729 123.516 122.820 -0.055 0.000 1.943 1110 A HA 0.034 4.354 4.320 -0.000 0.000 0.213 1110 A C 1.888 179.436 177.584 -0.060 0.000 1.181 1110 A CA 0.537 52.539 52.037 -0.058 0.000 0.653 1110 A CB -0.182 18.767 19.000 -0.084 0.000 0.833 1110 A HN 0.341 nan 8.150 nan 0.000 0.451 1111 I N -3.325 117.198 120.570 -0.079 0.000 4.785 1111 I HA 0.247 4.416 4.170 -0.000 0.000 0.227 1111 I C -0.022 176.108 176.117 0.022 0.000 0.968 1111 I CA -0.710 60.557 61.300 -0.055 0.000 1.561 1111 I CB -0.979 36.920 38.000 -0.169 0.000 1.418 1111 I HN -0.059 nan 8.210 nan 0.000 0.449 1112 L N 3.245 124.503 121.223 0.058 0.000 3.458 1112 L HA -0.169 4.171 4.340 -0.000 0.000 0.379 1112 L C -0.632 176.236 176.870 -0.003 0.000 0.997 1112 L CA 1.163 56.020 54.840 0.029 0.000 0.823 1112 L CB -2.226 39.836 42.059 0.006 0.000 1.312 1112 L HN 0.530 nan 8.230 nan 0.000 0.660 1113 D N 5.503 125.901 120.400 -0.003 0.000 2.269 1113 D HA 0.415 5.055 4.640 -0.000 0.000 0.244 1113 D C -2.262 174.020 176.300 -0.030 0.000 0.992 1113 D CA -1.823 52.169 54.000 -0.014 0.000 0.894 1113 D CB 1.488 42.288 40.800 -0.000 0.000 1.248 1113 D HN 0.180 nan 8.370 nan 0.000 0.468 1114 P HA 0.064 nan 4.420 nan 0.000 0.261 1114 P C 0.705 177.980 177.300 -0.042 0.000 1.165 1114 P CA 1.025 64.096 63.100 -0.049 0.000 0.759 1114 P CB 0.414 32.087 31.700 -0.046 0.000 0.772 1115 G N 2.193 110.962 108.800 -0.052 0.000 2.225 1115 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.254 1115 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.254 1115 G C 0.002 174.873 174.900 -0.048 0.000 0.988 1115 G CA -0.252 44.820 45.100 -0.047 0.000 0.625 1115 G HN 0.502 nan 8.290 nan 0.000 0.527 1116 D N 1.850 122.223 120.400 -0.046 0.000 2.389 1116 D HA 0.417 5.057 4.640 -0.000 0.000 0.247 1116 D C 0.695 176.952 176.300 -0.071 0.000 1.128 1116 D CA 0.380 54.355 54.000 -0.041 0.000 0.884 1116 D CB 0.693 41.484 40.800 -0.016 0.000 1.194 1116 D HN 0.567 nan 8.370 nan 0.000 0.441 1117 E N 0.493 120.646 120.200 -0.079 0.000 2.266 1117 E HA 0.423 4.773 4.350 -0.000 0.000 0.277 1117 E C -0.689 175.832 176.600 -0.132 0.000 1.018 1117 E CA -0.793 55.541 56.400 -0.111 0.000 0.840 1117 E CB 1.869 31.501 29.700 -0.113 0.000 1.082 1117 E HN 0.069 nan 8.360 nan 0.000 0.395 1118 V N 4.629 124.448 119.914 -0.160 0.000 2.407 1118 V HA 0.271 4.391 4.120 -0.000 0.000 0.291 1118 V C -0.006 175.985 176.094 -0.172 0.000 1.018 1118 V CA -0.640 61.562 62.300 -0.163 0.000 0.842 1118 V CB 1.084 32.768 31.823 -0.231 0.000 0.996 1118 V HN 0.613 nan 8.190 nan 0.000 0.426 1119 I N 4.885 125.355 120.570 -0.167 0.000 2.588 1119 I HA 0.308 4.478 4.170 -0.000 0.000 0.283 1119 I C -0.344 175.700 176.117 -0.121 0.000 1.119 1119 I CA 0.072 61.284 61.300 -0.146 0.000 1.419 1119 I CB 1.242 39.148 38.000 -0.157 0.000 1.394 1119 I HN 0.272 nan 8.210 nan 0.000 0.562 1120 V N 7.272 127.114 119.914 -0.120 0.000 2.686 1120 V HA 0.315 4.435 4.120 -0.000 0.000 0.306 1120 V C -0.461 175.619 176.094 -0.023 0.000 1.065 1120 V CA -0.642 61.581 62.300 -0.129 0.000 0.894 1120 V CB 2.087 33.738 31.823 -0.286 0.000 1.004 1120 V HN 0.382 nan 8.190 nan 0.000 0.424 1121 L N 4.613 125.880 121.223 0.074 0.000 2.265 1121 L HA 0.583 4.923 4.340 -0.000 0.000 0.288 1121 L C 0.661 177.717 176.870 0.310 0.000 1.058 1121 L CA 0.262 55.198 54.840 0.160 0.000 0.809 1121 L CB 1.360 43.497 42.059 0.131 0.000 1.179 1121 L HN 0.750 nan 8.230 nan 0.000 0.429 1122 S N 2.636 118.544 115.700 0.346 0.000 2.616 1122 S HA 0.693 5.163 4.470 -0.000 0.000 0.277 1122 S C -2.619 172.087 174.600 0.176 0.000 1.234 1122 S CA -1.686 56.727 58.200 0.356 0.000 1.028 1122 S CB 0.992 64.416 63.200 0.372 0.000 0.988 1122 S HN 0.317 nan 8.310 nan 0.000 0.522 1123 P HA 0.244 nan 4.420 nan 0.000 0.268 1123 P C -1.057 176.281 177.300 0.064 0.000 1.204 1123 P CA 0.011 63.051 63.100 -0.101 0.000 0.768 1123 P CB -0.093 31.401 31.700 -0.344 0.000 0.842 1124 Y N 0.518 120.937 120.300 0.198 0.000 2.545 1124 Y HA 0.603 5.153 4.550 -0.000 0.000 0.348 1124 Y C -0.935 175.177 175.900 0.353 0.000 1.002 1124 Y CA -2.200 56.071 58.100 0.286 0.000 1.039 1124 Y CB 0.431 39.043 38.460 0.253 0.000 1.271 1124 Y HN 0.335 nan 8.280 nan 0.000 0.467 1125 W N 4.677 126.197 121.300 0.367 0.000 2.397 1125 W HA 0.277 4.937 4.660 -0.000 0.000 0.327 1125 W C 0.709 177.094 176.519 -0.225 0.000 1.421 1125 W CA -0.458 56.907 57.345 0.032 0.000 1.288 1125 W CB 0.500 29.847 29.460 -0.187 0.000 1.312 1125 W HN 0.678 nan 8.180 nan 0.000 0.559 1126 V N 4.559 123.775 119.914 -1.163 0.000 2.277 1126 V HA -0.469 3.651 4.120 -0.000 0.000 0.261 1126 V C 2.216 177.803 176.094 -0.844 0.000 1.091 1126 V CA 2.852 64.512 62.300 -1.066 0.000 1.090 1126 V CB -1.297 29.919 31.823 -1.012 0.000 0.704 1126 V HN 0.761 nan 8.190 nan 0.000 0.455 1127 S N -2.543 112.300 115.700 -1.427 0.000 2.496 1127 S HA -0.004 4.466 4.470 -0.000 0.000 0.224 1127 S C 1.537 175.821 174.600 -0.526 0.000 0.996 1127 S CA 0.641 58.242 58.200 -0.997 0.000 0.927 1127 S CB -0.313 62.203 63.200 -1.140 0.000 0.774 1127 S HN 0.680 nan 8.310 nan 0.000 0.524 1128 Y N 2.332 122.387 120.300 -0.408 0.000 2.040 1128 Y HA -0.182 4.368 4.550 -0.000 0.000 0.275 1128 Y C -0.024 175.733 175.900 -0.238 0.000 1.171 1128 Y CA 1.464 59.482 58.100 -0.138 0.000 1.123 1128 Y CB -1.481 36.952 38.460 -0.045 0.000 0.963 1128 Y HN 0.297 nan 8.280 nan 0.000 0.493 1129 P HA -0.136 nan 4.420 nan 0.000 0.219 1129 P C 0.980 178.196 177.300 -0.141 0.000 1.150 1129 P CA 1.483 64.458 63.100 -0.208 0.000 0.814 1129 P CB 0.066 31.614 31.700 -0.253 0.000 0.787 1130 E N 0.494 120.617 120.200 -0.129 0.000 2.085 1130 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 1130 E C 2.111 178.715 176.600 0.006 0.000 0.994 1130 E CA 1.502 57.857 56.400 -0.075 0.000 0.801 1130 E CB -0.628 28.993 29.700 -0.132 0.000 0.743 1130 E HN 0.480 nan 8.360 nan 0.000 0.453 1131 M N -1.638 117.962 119.600 -0.000 0.000 2.510 1131 M HA 0.092 4.572 4.480 -0.000 0.000 0.256 1131 M C 1.995 178.266 176.300 -0.049 0.000 1.132 1131 M CA 0.543 55.903 55.300 0.099 0.000 1.105 1131 M CB -0.043 32.695 32.600 0.229 0.000 1.375 1131 M HN -0.190 nan 8.290 nan 0.000 0.477 1132 V N 2.012 121.755 119.914 -0.286 0.000 2.244 1132 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 1132 V C 2.635 178.561 176.094 -0.280 0.000 1.042 1132 V CA 2.029 63.961 62.300 -0.613 0.000 1.006 1132 V CB -0.724 30.737 31.823 -0.602 0.000 0.641 1132 V HN 0.525 nan 8.190 nan 0.000 0.446 1133 R N -1.139 119.264 120.500 -0.162 0.000 2.105 1133 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 1133 R C 2.210 178.501 176.300 -0.014 0.000 1.135 1133 R CA 1.955 58.006 56.100 -0.082 0.000 0.967 1133 R CB -0.537 29.732 30.300 -0.052 0.000 0.861 1133 R HN 0.492 nan 8.270 nan 0.000 0.442 1134 F N 1.048 120.947 119.950 -0.085 0.000 2.161 1134 F HA -0.194 4.333 4.527 -0.000 0.000 0.300 1134 F C 2.200 177.964 175.800 -0.060 0.000 1.089 1134 F CA 1.494 59.477 58.000 -0.028 0.000 1.282 1134 F CB -0.140 38.898 39.000 0.064 0.000 1.010 1134 F HN -0.003 nan 8.300 nan 0.000 0.485 1135 A N -0.722 122.096 122.820 -0.003 0.000 2.119 1135 A HA 0.319 4.639 4.320 -0.000 0.000 0.216 1135 A C 1.796 179.314 177.584 -0.110 0.000 1.152 1135 A CA 1.036 53.022 52.037 -0.085 0.000 0.708 1135 A CB -1.040 17.906 19.000 -0.090 0.000 0.805 1135 A HN 0.912 nan 8.150 nan 0.000 0.460 1136 G N -2.425 106.304 108.800 -0.118 0.000 2.148 1136 G HA2 0.104 4.064 3.960 -0.000 0.000 0.157 1136 G HA3 0.104 4.064 3.960 -0.000 0.000 0.157 1136 G C 0.628 175.465 174.900 -0.104 0.000 1.012 1136 G CA 0.113 45.148 45.100 -0.108 0.000 0.677 1136 G HN 1.165 nan 8.290 nan 0.000 0.506 1137 G N -1.161 107.559 108.800 -0.134 0.000 2.553 1137 G HA2 0.633 4.593 3.960 -0.000 0.000 0.278 1137 G HA3 0.633 4.593 3.960 -0.000 0.000 0.278 1137 G C -0.387 174.431 174.900 -0.136 0.000 1.349 1137 G CA 0.071 45.078 45.100 -0.154 0.000 1.037 1137 G HN 1.080 nan 8.290 nan 0.000 0.508 1138 V N 0.079 119.906 119.914 -0.144 0.000 2.559 1138 V HA 0.194 4.314 4.120 -0.000 0.000 0.289 1138 V C -0.101 175.908 176.094 -0.142 0.000 1.036 1138 V CA -0.631 61.597 62.300 -0.120 0.000 0.887 1138 V CB 1.487 33.254 31.823 -0.093 0.000 1.022 1138 V HN 0.538 nan 8.190 nan 0.000 0.442 1139 V N 5.515 125.339 119.914 -0.149 0.000 2.529 1139 V HA 0.240 4.360 4.120 -0.000 0.000 0.292 1139 V C 0.154 176.173 176.094 -0.124 0.000 1.028 1139 V CA 0.077 62.275 62.300 -0.169 0.000 1.074 1139 V CB 1.447 33.158 31.823 -0.187 0.000 0.958 1139 V HN 0.580 nan 8.190 nan 0.000 0.481 1140 V N 6.009 125.847 119.914 -0.127 0.000 2.409 1140 V HA 0.357 4.477 4.120 -0.000 0.000 0.290 1140 V C 0.001 176.043 176.094 -0.086 0.000 1.017 1140 V CA -0.667 61.577 62.300 -0.093 0.000 0.841 1140 V CB 1.618 33.378 31.823 -0.105 0.000 1.003 1140 V HN 1.040 nan 8.190 nan 0.000 0.426 1141 E N 4.693 124.866 120.200 -0.044 0.000 2.204 1141 E HA 0.746 5.096 4.350 -0.000 0.000 0.276 1141 E C -1.384 175.236 176.600 0.034 0.000 0.974 1141 E CA -0.808 55.590 56.400 -0.003 0.000 0.815 1141 E CB 2.379 32.112 29.700 0.054 0.000 1.119 1141 E HN 0.300 nan 8.360 nan 0.000 0.393 1142 V N 2.894 122.838 119.914 0.050 0.000 2.409 1142 V HA 0.168 4.288 4.120 -0.000 0.000 0.291 1142 V C 0.052 176.206 176.094 0.100 0.000 1.020 1142 V CA -0.874 61.458 62.300 0.054 0.000 0.848 1142 V CB 0.954 32.791 31.823 0.024 0.000 0.990 1142 V HN 0.869 nan 8.190 nan 0.000 0.430 1143 E N 2.910 123.171 120.200 0.102 0.000 2.374 1143 E HA 0.538 4.888 4.350 -0.000 0.000 0.260 1143 E C -0.297 176.377 176.600 0.124 0.000 1.101 1143 E CA -0.540 55.940 56.400 0.133 0.000 0.907 1143 E CB 1.178 30.952 29.700 0.124 0.000 1.014 1143 E HN 0.688 nan 8.360 nan 0.000 0.427 1144 T N 1.058 115.720 114.554 0.180 0.000 2.881 1144 T HA 0.364 4.714 4.350 -0.000 0.000 0.291 1144 T C -0.201 174.643 174.700 0.241 0.000 0.990 1144 T CA -1.151 61.062 62.100 0.188 0.000 0.976 1144 T CB 0.729 69.743 68.868 0.243 0.000 0.970 1144 T HN 0.293 nan 8.240 nan 0.000 0.438 1145 L N 5.436 126.715 121.223 0.094 0.000 2.397 1145 L HA 0.318 4.658 4.340 -0.000 0.000 0.271 1145 L C -0.903 175.803 176.870 -0.274 0.000 1.148 1145 L CA -2.159 52.674 54.840 -0.011 0.000 0.825 1145 L CB 0.672 42.714 42.059 -0.028 0.000 1.117 1145 L HN 0.521 nan 8.230 nan 0.000 0.456 1146 P HA -0.128 nan 4.420 nan 0.000 0.221 1146 P C 0.986 177.992 177.300 -0.489 0.000 1.150 1146 P CA 1.007 63.456 63.100 -1.086 0.000 0.800 1146 P CB 0.285 31.535 31.700 -0.750 0.000 0.787 1147 E N 1.894 121.944 120.200 -0.250 0.000 2.077 1147 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 1147 E C 1.262 177.791 176.600 -0.118 0.000 0.989 1147 E CA 1.136 57.454 56.400 -0.136 0.000 0.800 1147 E CB -1.019 28.635 29.700 -0.076 0.000 0.746 1147 E HN 0.520 nan 8.360 nan 0.000 0.452 1148 E N 1.131 121.260 120.200 -0.119 0.000 2.296 1148 E HA 0.236 4.586 4.350 -0.000 0.000 0.196 1148 E C 0.552 177.106 176.600 -0.077 0.000 1.143 1148 E CA 0.141 56.498 56.400 -0.071 0.000 1.145 1148 E CB -0.359 29.315 29.700 -0.043 0.000 1.215 1148 E HN 0.281 nan 8.360 nan 0.000 0.447 1149 G N 1.328 110.040 108.800 -0.146 0.000 2.390 1149 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.299 1149 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.299 1149 G C 0.343 175.259 174.900 0.027 0.000 1.002 1149 G CA 0.481 45.514 45.100 -0.113 0.000 0.979 1149 G HN 0.615 nan 8.290 nan 0.000 0.513 1150 F N -4.463 115.520 119.950 0.055 0.000 3.021 1150 F HA -0.273 4.254 4.527 -0.000 0.000 0.294 1150 F C 1.205 177.056 175.800 0.086 0.000 0.761 1150 F CA 0.693 58.736 58.000 0.073 0.000 1.102 1150 F CB -1.487 37.568 39.000 0.091 0.000 1.380 1150 F HN 0.315 nan 8.300 nan 0.000 0.387 1151 V N 2.147 122.159 119.914 0.164 0.000 2.465 1151 V HA 0.269 4.389 4.120 -0.000 0.000 0.279 1151 V C -1.310 174.692 176.094 -0.153 0.000 1.045 1151 V CA -1.578 60.699 62.300 -0.039 0.000 0.938 1151 V CB 1.280 33.117 31.823 0.024 0.000 0.986 1151 V HN -0.163 nan 8.190 nan 0.000 0.467 1152 P HA 0.033 nan 4.420 nan 0.000 0.267 1152 P C -0.986 176.236 177.300 -0.130 0.000 1.200 1152 P CA -0.020 62.952 63.100 -0.215 0.000 0.772 1152 P CB 0.715 32.236 31.700 -0.297 0.000 0.855 1153 D N 2.980 123.340 120.400 -0.066 0.000 2.441 1153 D HA 0.256 4.896 4.640 -0.000 0.000 0.231 1153 D C -1.765 174.516 176.300 -0.032 0.000 1.073 1153 D CA -2.691 51.284 54.000 -0.041 0.000 0.850 1153 D CB 0.838 41.625 40.800 -0.022 0.000 1.062 1153 D HN -0.014 nan 8.370 nan 0.000 0.524 1154 P HA -0.202 nan 4.420 nan 0.000 0.216 1154 P C 1.143 178.441 177.300 -0.003 0.000 1.157 1154 P CA 1.112 64.204 63.100 -0.012 0.000 0.880 1154 P CB 0.351 32.047 31.700 -0.007 0.000 0.791 1155 E N -0.307 119.892 120.200 -0.003 0.000 2.065 1155 E HA -0.246 4.104 4.350 -0.000 0.000 0.201 1155 E C 2.029 178.628 176.600 -0.002 0.000 1.016 1155 E CA 1.706 58.107 56.400 0.002 0.000 0.818 1155 E CB -0.554 29.147 29.700 0.001 0.000 0.749 1155 E HN 0.482 nan 8.360 nan 0.000 0.453 1156 R N 0.276 120.772 120.500 -0.007 0.000 2.193 1156 R HA 0.060 4.400 4.340 -0.000 0.000 0.213 1156 R C 2.197 178.486 176.300 -0.018 0.000 1.055 1156 R CA 0.642 56.736 56.100 -0.009 0.000 0.995 1156 R CB -0.505 29.792 30.300 -0.004 0.000 0.893 1156 R HN -0.076 nan 8.270 nan 0.000 0.459 1157 V N 1.519 121.421 119.914 -0.019 0.000 2.667 1157 V HA -0.144 3.976 4.120 -0.000 0.000 0.252 1157 V C 2.654 178.720 176.094 -0.047 0.000 1.065 1157 V CA 1.898 64.183 62.300 -0.026 0.000 1.083 1157 V CB -0.627 31.189 31.823 -0.011 0.000 0.692 1157 V HN 0.403 nan 8.190 nan 0.000 0.468 1158 R N 1.671 122.149 120.500 -0.037 0.000 2.062 1158 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 1158 R C 2.033 178.286 176.300 -0.077 0.000 1.136 1158 R CA 1.548 57.609 56.100 -0.065 0.000 0.948 1158 R CB -0.265 30.031 30.300 -0.007 0.000 0.845 1158 R HN 0.592 nan 8.270 nan 0.000 0.430 1159 R N 0.037 120.514 120.500 -0.038 0.000 3.441 1159 R HA 0.124 4.464 4.340 -0.000 0.000 0.225 1159 R C 0.323 176.596 176.300 -0.045 0.000 1.756 1159 R CA 0.630 56.711 56.100 -0.032 0.000 1.504 1159 R CB 0.270 30.563 30.300 -0.012 0.000 1.183 1159 R HN 0.236 nan 8.270 nan 0.000 0.567 1160 A N 0.536 123.310 122.820 -0.076 0.000 2.606 1160 A HA 0.301 4.621 4.320 -0.000 0.000 0.230 1160 A C 0.422 177.929 177.584 -0.129 0.000 1.279 1160 A CA -0.525 51.461 52.037 -0.085 0.000 1.010 1160 A CB 0.552 19.503 19.000 -0.081 0.000 1.271 1160 A HN 0.272 nan 8.150 nan 0.000 0.584 1161 I N 2.330 122.803 120.570 -0.161 0.000 2.529 1161 I HA 0.341 4.511 4.170 -0.000 0.000 0.284 1161 I C 0.674 176.723 176.117 -0.112 0.000 1.082 1161 I CA 0.325 61.495 61.300 -0.216 0.000 1.406 1161 I CB 1.460 39.261 38.000 -0.331 0.000 1.405 1161 I HN 0.367 nan 8.210 nan 0.000 0.548 1162 T N 2.782 117.276 114.554 -0.101 0.000 2.883 1162 T HA 0.417 4.767 4.350 -0.000 0.000 0.296 1162 T C -2.259 172.427 174.700 -0.023 0.000 1.117 1162 T CA -1.655 60.419 62.100 -0.043 0.000 1.006 1162 T CB 2.042 70.879 68.868 -0.051 0.000 1.191 1162 T HN 0.355 nan 8.240 nan 0.000 0.508 1163 P HA 0.050 nan 4.420 nan 0.000 0.239 1163 P C 0.841 178.145 177.300 0.006 0.000 1.184 1163 P CA 0.341 63.455 63.100 0.023 0.000 0.760 1163 P CB 0.200 31.915 31.700 0.025 0.000 0.884 1164 R N -0.941 119.546 120.500 -0.021 0.000 2.237 1164 R HA 0.113 4.452 4.340 -0.000 0.000 0.195 1164 R C 0.563 176.834 176.300 -0.048 0.000 0.956 1164 R CA 0.311 56.394 56.100 -0.027 0.000 1.029 1164 R CB -0.592 29.685 30.300 -0.037 0.000 0.972 1164 R HN 0.118 nan 8.270 nan 0.000 0.493 1165 T N 2.302 116.800 114.554 -0.094 0.000 2.738 1165 T HA -0.035 4.315 4.350 -0.000 0.000 0.277 1165 T C 1.058 175.675 174.700 -0.140 0.000 0.981 1165 T CA 0.856 62.841 62.100 -0.192 0.000 1.211 1165 T CB 0.720 69.373 68.868 -0.359 0.000 0.932 1165 T HN 0.164 nan 8.240 nan 0.000 0.522 1166 K N 1.564 121.921 120.400 -0.073 0.000 2.391 1166 K HA 0.500 4.820 4.320 -0.000 0.000 0.197 1166 K C 0.367 177.118 176.600 0.252 0.000 1.087 1166 K CA -0.037 56.317 56.287 0.112 0.000 1.012 1166 K CB 0.608 33.188 32.500 0.134 0.000 0.925 1166 K HN 0.664 nan 8.250 nan 0.000 0.547 1167 A N 0.932 123.812 122.820 0.100 0.000 2.594 1167 A HA 0.591 4.911 4.320 -0.000 0.000 0.295 1167 A C -2.202 175.430 177.584 0.079 0.000 1.071 1167 A CA -0.749 51.441 52.037 0.254 0.000 0.685 1167 A CB 1.467 20.645 19.000 0.295 0.000 1.285 1167 A HN 0.098 nan 8.150 nan 0.000 0.405 1168 L N 1.209 122.571 121.223 0.232 0.000 2.370 1168 L HA 0.881 5.220 4.340 -0.000 0.000 0.266 1168 L C -1.156 175.792 176.870 0.131 0.000 1.002 1168 L CA -0.731 54.194 54.840 0.142 0.000 0.818 1168 L CB 2.043 44.299 42.059 0.328 0.000 1.325 1168 L HN 1.285 nan 8.230 nan 0.000 0.418 1169 V N 5.657 125.594 119.914 0.040 0.000 2.447 1169 V HA 0.700 4.820 4.120 -0.000 0.000 0.292 1169 V C -1.767 174.335 176.094 0.013 0.000 1.021 1169 V CA -0.404 61.881 62.300 -0.025 0.000 0.850 1169 V CB 1.774 33.467 31.823 -0.217 0.000 1.005 1169 V HN 0.775 nan 8.190 nan 0.000 0.426 1170 V N 6.909 126.880 119.914 0.095 0.000 2.459 1170 V HA 0.620 4.740 4.120 -0.000 0.000 0.295 1170 V C -0.411 175.806 176.094 0.204 0.000 1.029 1170 V CA -0.356 62.071 62.300 0.213 0.000 0.874 1170 V CB 1.772 33.749 31.823 0.258 0.000 0.985 1170 V HN 1.041 nan 8.190 nan 0.000 0.438 1171 N N 4.081 122.929 118.700 0.246 0.000 2.576 1171 N HA 0.441 5.181 4.740 -0.000 0.000 0.269 1171 N C -1.449 173.979 175.510 -0.137 0.000 1.058 1171 N CA -0.151 52.983 53.050 0.141 0.000 0.860 1171 N CB 1.301 39.965 38.487 0.295 0.000 1.249 1171 N HN 0.675 nan 8.380 nan 0.000 0.525 1172 S N 3.945 119.514 115.700 -0.219 0.000 2.672 1172 S HA 0.493 4.963 4.470 -0.000 0.000 0.291 1172 S C -2.916 171.644 174.600 -0.067 0.000 1.145 1172 S CA -1.155 56.785 58.200 -0.434 0.000 1.013 1172 S CB 1.457 64.245 63.200 -0.688 0.000 1.017 1172 S HN 0.330 nan 8.310 nan 0.000 0.487 1173 P HA 0.125 nan 4.420 nan 0.000 0.267 1173 P C -0.572 176.558 177.300 -0.284 0.000 1.205 1173 P CA -0.189 62.786 63.100 -0.209 0.000 0.765 1173 P CB 0.302 31.885 31.700 -0.195 0.000 0.828 1174 N N 3.551 122.077 118.700 -0.290 0.000 2.497 1174 N HA 0.020 4.760 4.740 -0.000 0.000 0.268 1174 N C -0.501 174.862 175.510 -0.244 0.000 1.171 1174 N CA 0.316 53.244 53.050 -0.204 0.000 0.948 1174 N CB 0.024 38.456 38.487 -0.091 0.000 1.069 1174 N HN 0.308 nan 8.380 nan 0.000 0.460 1175 N N 3.922 122.488 118.700 -0.224 0.000 2.346 1175 N HA 0.387 5.127 4.740 -0.000 0.000 0.289 1175 N C -2.348 173.091 175.510 -0.119 0.000 1.027 1175 N CA -1.947 50.908 53.050 -0.326 0.000 0.864 1175 N CB 2.078 40.279 38.487 -0.477 0.000 1.370 1175 N HN 0.320 nan 8.380 nan 0.000 0.481 1176 P HA 0.086 nan 4.420 nan 0.000 0.261 1176 P C 0.630 177.729 177.300 -0.336 0.000 1.268 1176 P CA 0.399 63.175 63.100 -0.539 0.000 0.833 1176 P CB 0.254 31.343 31.700 -1.019 0.000 1.231 1177 T N -3.927 110.453 114.554 -0.290 0.000 3.081 1177 T HA 0.226 4.576 4.350 -0.000 0.000 0.255 1177 T C 1.657 176.347 174.700 -0.017 0.000 1.113 1177 T CA 1.068 63.022 62.100 -0.243 0.000 1.082 1177 T CB -1.058 67.461 68.868 -0.581 0.000 0.939 1177 T HN 0.169 nan 8.240 nan 0.000 0.506 1178 G N 1.330 110.109 108.800 -0.034 0.000 2.189 1178 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.267 1178 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.267 1178 G C 0.466 175.373 174.900 0.011 0.000 0.975 1178 G CA 0.241 45.339 45.100 -0.004 0.000 0.644 1178 G HN 1.280 nan 8.290 nan 0.000 0.537 1179 A N -0.934 121.920 122.820 0.057 0.000 2.448 1179 A HA 0.612 4.932 4.320 -0.000 0.000 0.239 1179 A C 0.412 177.982 177.584 -0.024 0.000 1.080 1179 A CA 0.787 52.892 52.037 0.113 0.000 0.779 1179 A CB 1.246 20.419 19.000 0.288 0.000 1.026 1179 A HN 1.581 nan 8.150 nan 0.000 0.499 1180 V N 3.114 123.046 119.914 0.030 0.000 2.488 1180 V HA 0.423 4.543 4.120 -0.000 0.000 0.293 1180 V C -1.050 175.115 176.094 0.117 0.000 1.027 1180 V CA -0.620 61.653 62.300 -0.045 0.000 0.862 1180 V CB 0.640 32.459 31.823 -0.007 0.000 1.008 1180 V HN 0.778 nan 8.190 nan 0.000 0.428 1181 Y N 6.670 127.021 120.300 0.085 0.000 2.425 1181 Y HA 0.295 4.845 4.550 -0.000 0.000 0.331 1181 Y C -1.663 174.271 175.900 0.058 0.000 1.157 1181 Y CA -2.102 56.042 58.100 0.075 0.000 1.372 1181 Y CB 0.345 38.855 38.460 0.083 0.000 1.253 1181 Y HN 0.486 nan 8.280 nan 0.000 0.536 1182 P HA -0.048 nan 4.420 nan 0.000 0.268 1182 P C 0.586 177.896 177.300 0.016 0.000 1.208 1182 P CA -0.189 62.956 63.100 0.075 0.000 0.777 1182 P CB 0.810 32.532 31.700 0.037 0.000 0.875 1183 K N 1.935 122.275 120.400 -0.100 0.000 2.059 1183 K HA -0.242 4.078 4.320 -0.000 0.000 0.212 1183 K C 0.856 177.171 176.600 -0.476 0.000 1.050 1183 K CA 1.934 57.975 56.287 -0.410 0.000 0.927 1183 K CB -0.160 32.033 32.500 -0.511 0.000 0.714 1183 K HN 0.423 nan 8.250 nan 0.000 0.447 1184 E N 0.088 120.127 120.200 -0.268 0.000 2.505 1184 E HA -0.041 4.309 4.350 -0.000 0.000 0.197 1184 E C 1.186 177.736 176.600 -0.082 0.000 1.111 1184 E CA 0.223 56.514 56.400 -0.182 0.000 0.887 1184 E CB 0.310 29.931 29.700 -0.131 0.000 0.913 1184 E HN 0.109 nan 8.360 nan 0.000 0.517 1185 V N -0.170 119.723 119.914 -0.036 0.000 3.013 1185 V HA -0.001 4.119 4.120 -0.000 0.000 0.238 1185 V C 1.762 177.893 176.094 0.062 0.000 1.161 1185 V CA 0.206 62.508 62.300 0.003 0.000 1.170 1185 V CB -0.066 31.756 31.823 -0.001 0.000 0.917 1185 V HN 0.297 nan 8.190 nan 0.000 0.478 1186 L N 0.438 121.745 121.223 0.139 0.000 2.131 1186 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 1186 L C 2.435 179.458 176.870 0.255 0.000 1.092 1186 L CA 2.052 57.054 54.840 0.271 0.000 0.759 1186 L CB -0.693 41.672 42.059 0.511 0.000 0.903 1186 L HN 0.487 nan 8.230 nan 0.000 0.435 1187 E N 0.329 120.604 120.200 0.125 0.000 2.007 1187 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 1187 E C 2.238 178.869 176.600 0.052 0.000 0.999 1187 E CA 1.621 58.065 56.400 0.073 0.000 0.811 1187 E CB -0.104 29.534 29.700 -0.105 0.000 0.762 1187 E HN 0.332 nan 8.360 nan 0.000 0.450 1188 A N 0.804 123.634 122.820 0.017 0.000 1.884 1188 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 1188 A C 2.342 179.943 177.584 0.029 0.000 1.197 1188 A CA 2.165 54.210 52.037 0.014 0.000 0.637 1188 A CB -1.175 17.826 19.000 0.002 0.000 0.827 1188 A HN 0.370 nan 8.150 nan 0.000 0.450 1189 L N -1.070 120.182 121.223 0.048 0.000 2.046 1189 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 1189 L C 3.068 179.966 176.870 0.047 0.000 1.077 1189 L CA 1.109 55.988 54.840 0.065 0.000 0.747 1189 L CB -0.786 41.325 42.059 0.087 0.000 0.896 1189 L HN 0.445 nan 8.230 nan 0.000 0.432 1190 A N 0.044 122.892 122.820 0.046 0.000 1.940 1190 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 1190 A C 2.481 180.009 177.584 -0.094 0.000 1.176 1190 A CA 1.627 53.661 52.037 -0.006 0.000 0.631 1190 A CB -0.566 18.460 19.000 0.044 0.000 0.814 1190 A HN 0.320 nan 8.150 nan 0.000 0.446 1191 R N -0.487 119.980 120.500 -0.055 0.000 2.115 1191 R HA 0.012 4.352 4.340 -0.000 0.000 0.230 1191 R C 1.886 178.129 176.300 -0.096 0.000 1.111 1191 R CA 1.003 57.052 56.100 -0.085 0.000 0.976 1191 R CB -0.264 30.015 30.300 -0.036 0.000 0.870 1191 R HN 0.544 nan 8.270 nan 0.000 0.445 1192 L N -0.267 120.936 121.223 -0.033 0.000 2.056 1192 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 1192 L C 2.605 179.359 176.870 -0.193 0.000 1.078 1192 L CA 1.276 56.157 54.840 0.068 0.000 0.749 1192 L CB -0.835 41.309 42.059 0.141 0.000 0.901 1192 L HN 0.258 nan 8.230 nan 0.000 0.433 1193 A N -0.026 122.486 122.820 -0.514 0.000 1.948 1193 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 1193 A C 2.365 179.392 177.584 -0.927 0.000 1.177 1193 A CA 1.931 53.221 52.037 -1.245 0.000 0.636 1193 A CB -0.680 17.950 19.000 -0.617 0.000 0.815 1193 A HN 0.235 nan 8.150 nan 0.000 0.449 1194 V N -0.658 118.825 119.914 -0.718 0.000 2.331 1194 V HA -0.172 3.948 4.120 -0.000 0.000 0.242 1194 V C 2.441 178.325 176.094 -0.350 0.000 1.034 1194 V CA 1.931 63.737 62.300 -0.824 0.000 1.027 1194 V CB -0.571 30.898 31.823 -0.589 0.000 0.667 1194 V HN 0.734 nan 8.190 nan 0.000 0.457 1195 E N -0.503 119.570 120.200 -0.212 0.000 2.153 1195 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 1195 E C 1.619 178.118 176.600 -0.167 0.000 0.988 1195 E CA 1.457 57.774 56.400 -0.138 0.000 0.811 1195 E CB 0.044 29.698 29.700 -0.077 0.000 0.746 1195 E HN 0.781 nan 8.360 nan 0.000 0.466 1196 H N -0.689 118.353 119.070 -0.046 0.000 2.755 1196 H HA 0.152 4.708 4.556 -0.000 0.000 0.273 1196 H C -0.771 174.641 175.328 0.140 0.000 1.055 1196 H CA 0.392 56.507 56.048 0.112 0.000 1.191 1196 H CB 0.547 30.510 29.762 0.336 0.000 1.536 1196 H HN 0.120 nan 8.280 nan 0.000 0.529 1197 D N 0.724 121.167 120.400 0.071 0.000 3.617 1197 D HA -0.210 4.430 4.640 -0.000 0.000 0.226 1197 D C -0.983 175.412 176.300 0.158 0.000 1.125 1197 D CA 0.944 55.001 54.000 0.095 0.000 1.083 1197 D CB -0.986 39.864 40.800 0.084 0.000 0.833 1197 D HN 0.416 nan 8.370 nan 0.000 0.399 1198 F N 0.484 120.491 119.950 0.094 0.000 2.703 1198 F HA 0.527 5.054 4.527 -0.000 0.000 0.308 1198 F C -1.003 174.823 175.800 0.042 0.000 1.126 1198 F CA -1.631 56.372 58.000 0.005 0.000 0.959 1198 F CB 0.581 39.624 39.000 0.071 0.000 1.297 1198 F HN -0.076 nan 8.300 nan 0.000 0.441 1199 Y N 1.946 122.441 120.300 0.326 0.000 2.426 1199 Y HA 0.407 4.957 4.550 -0.000 0.000 0.344 1199 Y C 0.193 176.255 175.900 0.270 0.000 1.256 1199 Y CA -0.368 57.856 58.100 0.205 0.000 1.451 1199 Y CB 0.528 39.069 38.460 0.134 0.000 1.342 1199 Y HN 0.646 nan 8.280 nan 0.000 0.600 1200 L N 2.393 123.811 121.223 0.326 0.000 2.381 1200 L HA 0.539 4.879 4.340 -0.000 0.000 0.274 1200 L C -1.660 175.308 176.870 0.163 0.000 0.988 1200 L CA -0.891 54.087 54.840 0.230 0.000 0.824 1200 L CB 1.454 43.586 42.059 0.121 0.000 1.263 1200 L HN 0.383 nan 8.230 nan 0.000 0.410 1201 V N 3.640 123.630 119.914 0.128 0.000 2.334 1201 V HA 0.282 4.402 4.120 -0.000 0.000 0.281 1201 V C 0.214 176.335 176.094 0.045 0.000 1.016 1201 V CA -0.288 62.038 62.300 0.043 0.000 0.832 1201 V CB 1.513 33.331 31.823 -0.009 0.000 0.999 1201 V HN 0.790 nan 8.190 nan 0.000 0.439 1202 S N 3.228 118.951 115.700 0.037 0.000 2.422 1202 S HA 0.318 4.788 4.470 -0.000 0.000 0.308 1202 S C -0.402 174.245 174.600 0.079 0.000 1.097 1202 S CA -0.585 57.651 58.200 0.059 0.000 1.099 1202 S CB 0.690 63.908 63.200 0.031 0.000 0.976 1202 S HN 0.858 nan 8.310 nan 0.000 0.471 1203 D N 3.968 124.446 120.400 0.131 0.000 2.500 1203 D HA 0.253 4.893 4.640 -0.000 0.000 0.219 1203 D C 0.965 177.348 176.300 0.139 0.000 1.137 1203 D CA -0.148 53.951 54.000 0.164 0.000 0.946 1203 D CB 0.564 41.550 40.800 0.311 0.000 1.022 1203 D HN 0.638 nan 8.370 nan 0.000 0.518 1204 E N 2.666 122.938 120.200 0.120 0.000 2.028 1204 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 1204 E C 1.959 178.560 176.600 0.001 0.000 0.988 1204 E CA 0.622 57.093 56.400 0.119 0.000 0.799 1204 E CB 0.036 29.854 29.700 0.197 0.000 0.755 1204 E HN 0.627 nan 8.360 nan 0.000 0.447 1205 I N -0.017 120.521 120.570 -0.054 0.000 3.802 1205 I HA -0.499 3.671 4.170 -0.000 0.000 0.157 1205 I C 1.202 177.107 176.117 -0.354 0.000 0.619 1205 I CA 1.919 63.092 61.300 -0.212 0.000 1.108 1205 I CB -0.359 37.475 38.000 -0.275 0.000 0.942 1205 I HN 0.267 nan 8.210 nan 0.000 0.259 1206 Y N 1.850 121.984 120.300 -0.277 0.000 2.502 1206 Y HA -0.058 4.492 4.550 -0.000 0.000 0.295 1206 Y C 2.040 177.710 175.900 -0.384 0.000 1.193 1206 Y CA 0.748 58.647 58.100 -0.335 0.000 1.295 1206 Y CB -0.420 37.826 38.460 -0.355 0.000 1.059 1206 Y HN 0.518 nan 8.280 nan 0.000 0.514 1207 E N -0.450 119.502 120.200 -0.413 0.000 2.108 1207 E HA -0.337 4.013 4.350 -0.000 0.000 0.203 1207 E C 0.961 177.240 176.600 -0.534 0.000 1.022 1207 E CA 2.364 58.294 56.400 -0.784 0.000 0.823 1207 E CB -0.722 28.310 29.700 -1.114 0.000 0.744 1207 E HN 0.621 nan 8.360 nan 0.000 0.456 1208 H N 0.163 119.078 119.070 -0.259 0.000 2.546 1208 H HA 0.173 4.729 4.556 -0.000 0.000 0.277 1208 H C 0.231 175.499 175.328 -0.101 0.000 1.004 1208 H CA 0.329 56.282 56.048 -0.158 0.000 1.231 1208 H CB 0.118 29.791 29.762 -0.147 0.000 1.382 1208 H HN 0.110 nan 8.280 nan 0.000 0.580 1209 L N 1.822 123.016 121.223 -0.048 0.000 2.407 1209 L HA 0.253 4.593 4.340 -0.000 0.000 0.261 1209 L C -1.084 175.546 176.870 -0.400 0.000 1.108 1209 L CA -0.561 54.236 54.840 -0.072 0.000 0.995 1209 L CB 0.686 42.709 42.059 -0.059 0.000 1.349 1209 L HN 0.082 nan 8.230 nan 0.000 0.423 1210 L N 1.640 122.671 121.223 -0.320 0.000 2.415 1210 L HA 0.348 4.688 4.340 -0.000 0.000 0.268 1210 L C -0.021 176.731 176.870 -0.196 0.000 0.984 1210 L CA -0.119 54.511 54.840 -0.349 0.000 0.853 1210 L CB 1.111 43.093 42.059 -0.129 0.000 1.215 1210 L HN 0.264 nan 8.230 nan 0.000 0.419 1211 Y N 2.274 122.621 120.300 0.079 0.000 2.269 1211 Y HA 0.165 4.715 4.550 -0.000 0.000 0.294 1211 Y C 0.268 176.204 175.900 0.060 0.000 1.120 1211 Y CA 0.097 58.241 58.100 0.073 0.000 1.159 1211 Y CB 0.454 38.958 38.460 0.074 0.000 1.024 1211 Y HN 0.519 nan 8.280 nan 0.000 0.532 1212 E N -0.076 120.211 120.200 0.144 0.000 2.466 1212 E HA 0.566 4.916 4.350 -0.000 0.000 0.308 1212 E C -0.457 176.188 176.600 0.075 0.000 0.933 1212 E CA -0.474 55.990 56.400 0.107 0.000 0.800 1212 E CB 1.408 31.178 29.700 0.117 0.000 1.434 1212 E HN 0.251 nan 8.360 nan 0.000 0.389 1213 G N 1.789 110.629 108.800 0.066 0.000 2.345 1213 G HA2 0.185 4.145 3.960 -0.000 0.000 0.285 1213 G HA3 0.185 4.145 3.960 -0.000 0.000 0.285 1213 G C -1.828 173.115 174.900 0.071 0.000 1.297 1213 G CA -0.717 44.422 45.100 0.064 0.000 0.875 1213 G HN 0.430 nan 8.290 nan 0.000 0.506 1214 E N -0.304 119.945 120.200 0.082 0.000 2.246 1214 E HA 0.434 4.784 4.350 -0.000 0.000 0.266 1214 E C -1.459 175.225 176.600 0.140 0.000 0.880 1214 E CA -0.727 55.735 56.400 0.103 0.000 0.762 1214 E CB 1.600 31.351 29.700 0.086 0.000 1.180 1214 E HN 0.613 nan 8.360 nan 0.000 0.416 1215 H N 4.832 123.936 119.070 0.056 0.000 2.944 1215 H HA 0.238 4.794 4.556 -0.000 0.000 0.278 1215 H C -1.507 173.894 175.328 0.121 0.000 1.083 1215 H CA -0.061 56.019 56.048 0.053 0.000 1.479 1215 H CB -0.015 29.731 29.762 -0.027 0.000 1.486 1215 H HN 0.370 nan 8.280 nan 0.000 0.493 1216 F N 4.014 123.716 119.950 -0.414 0.000 2.421 1216 F HA 0.468 4.995 4.527 -0.000 0.000 0.337 1216 F C -0.623 174.932 175.800 -0.408 0.000 1.105 1216 F CA -0.564 57.258 58.000 -0.296 0.000 1.049 1216 F CB 1.244 40.165 39.000 -0.132 0.000 1.139 1216 F HN 0.434 nan 8.300 nan 0.000 0.479 1217 S N 6.971 122.001 115.700 -1.116 0.000 2.475 1217 S HA 0.356 4.826 4.470 -0.000 0.000 0.298 1217 S C -2.191 171.728 174.600 -1.135 0.000 1.119 1217 S CA -1.065 56.654 58.200 -0.802 0.000 1.085 1217 S CB 1.765 64.716 63.200 -0.415 0.000 1.028 1217 S HN 0.516 nan 8.310 nan 0.000 0.489 1218 P HA 0.138 nan 4.420 nan 0.000 0.240 1218 P C 1.348 178.538 177.300 -0.185 0.000 1.190 1218 P CA 0.197 63.138 63.100 -0.266 0.000 0.781 1218 P CB -0.012 31.669 31.700 -0.031 0.000 0.931 1219 G N 0.027 108.701 108.800 -0.210 0.000 2.625 1219 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.214 1219 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.214 1219 G C 1.556 176.382 174.900 -0.123 0.000 1.132 1219 G CA 0.149 45.166 45.100 -0.139 0.000 0.782 1219 G HN 0.226 nan 8.290 nan 0.000 0.538 1220 R N -0.441 119.951 120.500 -0.179 0.000 2.057 1220 R HA 0.022 4.361 4.340 -0.000 0.000 0.229 1220 R C 2.584 178.870 176.300 -0.024 0.000 1.136 1220 R CA 1.134 57.171 56.100 -0.105 0.000 0.952 1220 R CB -0.482 29.728 30.300 -0.150 0.000 0.848 1220 R HN 0.276 nan 8.270 nan 0.000 0.430 1221 V N 0.518 120.436 119.914 0.007 0.000 2.379 1221 V HA -0.061 4.059 4.120 -0.000 0.000 0.245 1221 V C 1.053 177.147 176.094 -0.001 0.000 1.044 1221 V CA 1.605 63.936 62.300 0.052 0.000 1.036 1221 V CB -0.117 31.792 31.823 0.144 0.000 0.664 1221 V HN 0.375 nan 8.190 nan 0.000 0.453 1222 A N 0.101 122.908 122.820 -0.022 0.000 3.258 1222 A HA 0.506 4.826 4.320 -0.000 0.000 0.318 1222 A C -1.339 176.257 177.584 0.019 0.000 0.990 1222 A CA -0.792 51.224 52.037 -0.034 0.000 0.885 1222 A CB 0.344 19.277 19.000 -0.112 0.000 1.090 1222 A HN 0.298 nan 8.150 nan 0.000 0.479 1223 P HA -0.149 nan 4.420 nan 0.000 0.222 1223 P C 0.466 177.786 177.300 0.033 0.000 1.147 1223 P CA 1.194 64.299 63.100 0.008 0.000 0.790 1223 P CB 0.438 32.135 31.700 -0.006 0.000 0.780 1224 E N -1.417 118.833 120.200 0.083 0.000 2.479 1224 E HA -0.005 4.345 4.350 -0.000 0.000 0.193 1224 E C 0.927 177.490 176.600 -0.062 0.000 1.049 1224 E CA 0.382 56.800 56.400 0.031 0.000 0.870 1224 E CB -0.109 29.601 29.700 0.017 0.000 0.944 1224 E HN 0.528 nan 8.360 nan 0.000 0.492 1225 H N -0.991 118.049 119.070 -0.050 0.000 2.545 1225 H HA 0.165 4.721 4.556 -0.000 0.000 0.251 1225 H C 0.507 175.873 175.328 0.063 0.000 0.934 1225 H CA 0.445 56.455 56.048 -0.064 0.000 1.116 1225 H CB 0.265 29.933 29.762 -0.156 0.000 1.439 1225 H HN -0.134 nan 8.280 nan 0.000 0.445 1226 T N 1.560 116.203 114.554 0.148 0.000 2.856 1226 T HA 0.319 4.668 4.350 -0.000 0.000 0.306 1226 T C -0.284 174.448 174.700 0.054 0.000 1.062 1226 T CA 0.148 62.298 62.100 0.085 0.000 1.083 1226 T CB 0.276 69.149 68.868 0.008 0.000 0.984 1226 T HN 0.063 nan 8.240 nan 0.000 0.542 1227 L N 2.460 123.691 121.223 0.013 0.000 2.446 1227 L HA 0.329 4.669 4.340 -0.000 0.000 0.268 1227 L C -0.384 176.440 176.870 -0.076 0.000 0.975 1227 L CA -0.603 54.208 54.840 -0.049 0.000 0.848 1227 L CB 1.853 43.870 42.059 -0.070 0.000 1.225 1227 L HN 0.666 nan 8.230 nan 0.000 0.410 1228 T N 2.416 116.882 114.554 -0.146 0.000 2.762 1228 T HA 0.422 4.772 4.350 -0.000 0.000 0.303 1228 T C -0.066 174.576 174.700 -0.096 0.000 0.977 1228 T CA -0.463 61.541 62.100 -0.159 0.000 0.961 1228 T CB 1.197 69.875 68.868 -0.317 0.000 0.944 1228 T HN 0.116 nan 8.240 nan 0.000 0.481 1229 V N 4.903 124.826 119.914 0.015 0.000 2.427 1229 V HA 0.544 4.664 4.120 -0.000 0.000 0.286 1229 V C 0.264 176.433 176.094 0.125 0.000 1.034 1229 V CA -0.710 61.637 62.300 0.077 0.000 0.893 1229 V CB 1.313 33.163 31.823 0.045 0.000 0.982 1229 V HN 0.833 nan 8.190 nan 0.000 0.452 1230 N N 1.830 120.622 118.700 0.153 0.000 3.316 1230 N HA 0.777 5.517 4.740 -0.000 0.000 0.300 1230 N C -0.653 174.646 175.510 -0.351 0.000 1.567 1230 N CA 0.171 53.244 53.050 0.040 0.000 0.821 1230 N CB 2.693 41.367 38.487 0.312 0.000 1.748 1230 N HN 0.858 nan 8.380 nan 0.000 0.603 1231 G N -1.534 106.929 108.800 -0.562 0.000 2.547 1231 G HA2 0.523 4.483 3.960 -0.000 0.000 0.291 1231 G HA3 0.523 4.483 3.960 -0.000 0.000 0.291 1231 G C -0.086 174.487 174.900 -0.545 0.000 1.471 1231 G CA 0.227 44.781 45.100 -0.911 0.000 0.798 1231 G HN 0.595 nan 8.290 nan 0.000 0.504 1232 A N 0.086 122.682 122.820 -0.373 0.000 1.929 1232 A HA 0.399 4.719 4.320 -0.000 0.000 0.216 1232 A C 2.810 180.342 177.584 -0.086 0.000 1.176 1232 A CA 2.373 54.383 52.037 -0.045 0.000 0.628 1232 A CB -1.003 18.101 19.000 0.173 0.000 0.816 1232 A HN 2.168 nan 8.150 nan 0.000 0.444 1233 A N 0.517 123.288 122.820 -0.080 0.000 1.883 1233 A HA -0.368 3.952 4.320 -0.000 0.000 0.226 1233 A C 1.987 179.559 177.584 -0.019 0.000 1.512 1233 A CA 2.848 54.871 52.037 -0.023 0.000 0.738 1233 A CB -0.770 18.200 19.000 -0.051 0.000 0.848 1233 A HN 0.446 nan 8.150 nan 0.000 0.477 1234 K N -0.337 119.969 120.400 -0.158 0.000 2.155 1234 K HA 0.220 4.540 4.320 -0.000 0.000 0.203 1234 K C 2.162 178.726 176.600 -0.061 0.000 1.052 1234 K CA 1.277 57.480 56.287 -0.140 0.000 0.948 1234 K CB -0.540 31.652 32.500 -0.514 0.000 0.728 1234 K HN 0.529 nan 8.250 nan 0.000 0.448 1235 A N 0.282 122.979 122.820 -0.204 0.000 1.840 1235 A HA -0.008 4.312 4.320 -0.000 0.000 0.214 1235 A C 1.574 179.183 177.584 0.043 0.000 1.198 1235 A CA 0.963 52.863 52.037 -0.230 0.000 0.608 1235 A CB -0.663 17.964 19.000 -0.621 0.000 0.839 1235 A HN 0.308 nan 8.150 nan 0.000 0.443 1236 F N -0.426 119.637 119.950 0.188 0.000 2.693 1236 F HA 0.409 4.936 4.527 -0.000 0.000 0.303 1236 F C 1.526 177.452 175.800 0.209 0.000 1.143 1236 F CA 0.241 58.375 58.000 0.223 0.000 1.389 1236 F CB -0.080 38.914 39.000 -0.011 0.000 1.060 1236 F HN 0.369 nan 8.300 nan 0.000 0.535 1237 A N 0.283 123.385 122.820 0.470 0.000 2.790 1237 A HA -0.308 4.012 4.320 -0.000 0.000 0.277 1237 A C 1.073 178.836 177.584 0.298 0.000 1.435 1237 A CA 1.184 53.461 52.037 0.399 0.000 0.877 1237 A CB -2.260 17.038 19.000 0.497 0.000 1.007 1237 A HN 0.572 nan 8.150 nan 0.000 0.613 1238 M N 0.363 120.113 119.600 0.250 0.000 2.631 1238 M HA 0.014 4.494 4.480 -0.000 0.000 0.241 1238 M C 1.977 178.483 176.300 0.343 0.000 1.255 1238 M CA 0.792 56.268 55.300 0.293 0.000 0.983 1238 M CB -0.392 32.224 32.600 0.027 0.000 1.580 1238 M HN 0.773 nan 8.290 nan 0.000 0.464 1239 T N -1.672 113.030 114.554 0.247 0.000 2.597 1239 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 1239 T C 1.925 176.726 174.700 0.168 0.000 1.053 1239 T CA 1.966 64.167 62.100 0.168 0.000 1.165 1239 T CB -1.130 67.817 68.868 0.130 0.000 0.863 1239 T HN 0.546 nan 8.240 nan 0.000 0.427 1240 G N -0.333 108.555 108.800 0.147 0.000 2.501 1240 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.220 1240 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.220 1240 G C 1.154 176.064 174.900 0.018 0.000 1.114 1240 G CA 0.478 45.598 45.100 0.033 0.000 0.757 1240 G HN 0.703 nan 8.290 nan 0.000 0.559 1241 W N -0.081 121.232 121.300 0.022 0.000 2.525 1241 W HA 0.182 4.841 4.660 -0.000 0.000 0.259 1241 W C 0.748 177.277 176.519 0.017 0.000 1.253 1241 W CA 0.131 57.488 57.345 0.021 0.000 1.262 1241 W CB 0.293 29.771 29.460 0.029 0.000 1.122 1241 W HN -0.025 nan 8.180 nan 0.000 0.607 1242 R N 0.073 120.702 120.500 0.216 0.000 3.146 1242 R HA -0.189 4.151 4.340 -0.000 0.000 0.250 1242 R C -0.924 175.443 176.300 0.111 0.000 0.912 1242 R CA 0.705 56.877 56.100 0.121 0.000 0.633 1242 R CB -2.956 27.391 30.300 0.078 0.000 1.180 1242 R HN 0.302 nan 8.270 nan 0.000 0.464 1243 I N -0.247 120.377 120.570 0.089 0.000 2.512 1243 I HA 0.535 4.705 4.170 -0.000 0.000 0.287 1243 I C 0.738 176.797 176.117 -0.096 0.000 1.069 1243 I CA -0.478 60.852 61.300 0.049 0.000 1.056 1243 I CB 2.334 40.400 38.000 0.109 0.000 1.229 1243 I HN 0.366 nan 8.210 nan 0.000 0.429 1244 G N 5.177 113.896 108.800 -0.135 0.000 2.658 1244 G HA2 0.810 4.770 3.960 -0.000 0.000 0.292 1244 G HA3 0.810 4.770 3.960 -0.000 0.000 0.292 1244 G C -1.935 172.823 174.900 -0.236 0.000 1.320 1244 G CA -0.396 44.479 45.100 -0.375 0.000 0.933 1244 G HN 0.506 nan 8.290 nan 0.000 0.476 1245 Y N -2.615 117.726 120.300 0.068 0.000 2.638 1245 Y HA 0.871 5.421 4.550 -0.000 0.000 0.335 1245 Y C -0.110 175.906 175.900 0.194 0.000 1.155 1245 Y CA -1.545 56.622 58.100 0.113 0.000 1.046 1245 Y CB 1.181 39.698 38.460 0.096 0.000 1.303 1245 Y HN 1.114 nan 8.280 nan 0.000 0.460 1246 A N 0.120 123.183 122.820 0.405 0.000 2.588 1246 A HA 0.923 5.243 4.320 -0.000 0.000 0.290 1246 A C -1.198 176.446 177.584 0.100 0.000 1.136 1246 A CA -0.320 51.855 52.037 0.230 0.000 0.681 1246 A CB 1.023 20.067 19.000 0.073 0.000 1.282 1246 A HN 1.884 nan 8.150 nan 0.000 0.421 1247 C N -1.476 117.728 119.300 -0.160 0.000 3.239 1247 C HA 1.066 5.526 4.460 -0.000 0.000 0.317 1247 C C 0.270 175.146 174.990 -0.190 0.000 1.310 1247 C CA 0.225 59.123 59.018 -0.201 0.000 1.371 1247 C CB 1.079 28.579 27.740 -0.400 0.000 1.714 1247 C HN 2.816 nan 8.230 nan 0.000 0.473 1248 G N 0.713 109.444 108.800 -0.114 0.000 2.367 1248 G HA2 0.518 4.478 3.960 -0.000 0.000 0.272 1248 G HA3 0.518 4.478 3.960 -0.000 0.000 0.272 1248 G C -3.540 171.341 174.900 -0.031 0.000 1.271 1248 G CA -0.685 44.371 45.100 -0.073 0.000 0.893 1248 G HN 0.576 nan 8.290 nan 0.000 0.485 1249 P HA 0.140 nan 4.420 nan 0.000 0.257 1249 P C 0.925 178.228 177.300 0.006 0.000 1.189 1249 P CA 0.321 63.430 63.100 0.015 0.000 0.780 1249 P CB 0.733 32.470 31.700 0.061 0.000 0.772 1250 K N 3.989 124.389 120.400 -0.000 0.000 2.117 1250 K HA -0.320 4.000 4.320 -0.000 0.000 0.215 1250 K C 1.758 178.359 176.600 0.002 0.000 1.053 1250 K CA 2.480 58.766 56.287 -0.000 0.000 0.935 1250 K CB -0.020 32.481 32.500 0.001 0.000 0.719 1250 K HN 0.611 nan 8.250 nan 0.000 0.460 1251 E N -0.123 120.082 120.200 0.009 0.000 2.153 1251 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 1251 E C 1.829 178.431 176.600 0.003 0.000 0.988 1251 E CA 1.433 57.840 56.400 0.011 0.000 0.811 1251 E CB -0.212 29.501 29.700 0.022 0.000 0.746 1251 E HN 0.206 nan 8.360 nan 0.000 0.466 1252 V N 0.650 120.562 119.914 -0.003 0.000 3.052 1252 V HA 0.049 4.168 4.120 -0.000 0.000 0.254 1252 V C 1.454 177.514 176.094 -0.057 0.000 1.100 1252 V CA 0.373 62.642 62.300 -0.051 0.000 1.112 1252 V CB -0.023 31.731 31.823 -0.115 0.000 0.738 1252 V HN 0.316 nan 8.190 nan 0.000 0.469 1253 I N 0.885 121.435 120.570 -0.033 0.000 3.826 1253 I HA 0.184 4.354 4.170 -0.000 0.000 0.319 1253 I C 1.443 177.555 176.117 -0.008 0.000 1.394 1253 I CA 0.728 62.014 61.300 -0.023 0.000 1.197 1253 I CB -0.446 37.545 38.000 -0.015 0.000 1.096 1253 I HN 0.378 nan 8.210 nan 0.000 0.409 1254 K N 0.461 120.855 120.400 -0.010 0.000 2.620 1254 K HA 0.298 4.618 4.320 -0.000 0.000 0.208 1254 K C 1.845 178.443 176.600 -0.004 0.000 1.582 1254 K CA 0.772 57.058 56.287 -0.002 0.000 1.083 1254 K CB 0.318 32.818 32.500 -0.000 0.000 1.420 1254 K HN 0.002 nan 8.250 nan 0.000 0.582 1255 A N 1.473 124.286 122.820 -0.012 0.000 1.855 1255 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 1255 A C 2.098 179.676 177.584 -0.009 0.000 1.191 1255 A CA 1.703 53.732 52.037 -0.013 0.000 0.613 1255 A CB -0.544 18.437 19.000 -0.030 0.000 0.829 1255 A HN 0.327 nan 8.150 nan 0.000 0.442 1256 M N -0.436 119.153 119.600 -0.019 0.000 2.073 1256 M HA -0.249 4.231 4.480 -0.000 0.000 0.258 1256 M C 2.524 178.834 176.300 0.017 0.000 1.070 1256 M CA 1.773 57.069 55.300 -0.006 0.000 1.103 1256 M CB -0.502 32.087 32.600 -0.018 0.000 1.321 1256 M HN 0.501 nan 8.290 nan 0.000 0.405 1257 A N -1.142 121.685 122.820 0.013 0.000 1.978 1257 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 1257 A C 2.236 179.832 177.584 0.019 0.000 1.170 1257 A CA 2.205 54.254 52.037 0.019 0.000 0.636 1257 A CB -0.773 18.235 19.000 0.013 0.000 0.810 1257 A HN 0.482 nan 8.150 nan 0.000 0.448 1258 S N -1.119 114.590 115.700 0.015 0.000 2.436 1258 S HA -0.032 4.438 4.470 -0.000 0.000 0.228 1258 S C 1.783 176.399 174.600 0.027 0.000 1.014 1258 S CA 1.123 59.332 58.200 0.016 0.000 0.950 1258 S CB -0.302 62.904 63.200 0.011 0.000 0.784 1258 S HN 0.296 nan 8.310 nan 0.000 0.504 1259 V N 0.597 120.534 119.914 0.038 0.000 2.323 1259 V HA -0.061 4.059 4.120 -0.000 0.000 0.244 1259 V C 2.570 178.707 176.094 0.072 0.000 1.041 1259 V CA 1.849 64.187 62.300 0.064 0.000 1.025 1259 V CB -0.903 30.969 31.823 0.082 0.000 0.656 1259 V HN 0.531 nan 8.190 nan 0.000 0.451 1260 S N -0.322 115.417 115.700 0.064 0.000 2.374 1260 S HA -0.309 4.161 4.470 -0.000 0.000 0.227 1260 S C 2.180 176.805 174.600 0.041 0.000 1.037 1260 S CA 2.213 60.449 58.200 0.059 0.000 1.024 1260 S CB -0.302 62.928 63.200 0.050 0.000 0.861 1260 S HN 0.488 nan 8.310 nan 0.000 0.456 1261 R N 0.567 121.083 120.500 0.026 0.000 2.127 1261 R HA 0.018 4.358 4.340 -0.000 0.000 0.238 1261 R C 2.337 178.642 176.300 0.008 0.000 1.134 1261 R CA 1.628 57.732 56.100 0.006 0.000 0.975 1261 R CB -0.070 30.228 30.300 -0.004 0.000 0.865 1261 R HN 0.489 nan 8.270 nan 0.000 0.447 1262 Q N -1.299 118.517 119.800 0.027 0.000 2.384 1262 Q HA 0.080 4.420 4.340 -0.000 0.000 0.207 1262 Q C 1.613 177.642 176.000 0.047 0.000 0.904 1262 Q CA 0.929 56.752 55.803 0.032 0.000 0.933 1262 Q CB 1.131 29.890 28.738 0.035 0.000 1.077 1262 Q HN 0.399 nan 8.270 nan 0.000 0.522 1263 S N 0.678 116.414 115.700 0.059 0.000 2.431 1263 S HA -0.055 4.415 4.470 -0.000 0.000 0.210 1263 S C 2.121 176.744 174.600 0.038 0.000 1.013 1263 S CA 1.146 59.382 58.200 0.060 0.000 0.920 1263 S CB -0.589 62.664 63.200 0.087 0.000 0.882 1263 S HN 0.319 nan 8.310 nan 0.000 0.567 1264 T N -3.192 111.385 114.554 0.039 0.000 3.037 1264 T HA 0.284 4.634 4.350 -0.000 0.000 0.251 1264 T C 1.105 175.837 174.700 0.053 0.000 1.079 1264 T CA 1.033 63.156 62.100 0.039 0.000 1.067 1264 T CB -0.248 68.641 68.868 0.035 0.000 0.948 1264 T HN 0.424 nan 8.240 nan 0.000 0.496 1265 T N 0.615 115.192 114.554 0.038 0.000 10.716 1265 T HA -0.203 4.147 4.350 -0.000 0.000 0.368 1265 T C 0.175 174.894 174.700 0.032 0.000 1.780 1265 T CA 2.179 64.290 62.100 0.018 0.000 2.855 1265 T CB -1.937 66.946 68.868 0.025 0.000 2.435 1265 T HN 1.833 nan 8.240 nan 0.000 0.858 1266 S N -0.288 115.451 115.700 0.066 0.000 2.843 1266 S HA 0.414 4.884 4.470 -0.000 0.000 0.275 1266 S C -3.552 171.100 174.600 0.086 0.000 0.814 1266 S CA -0.921 57.322 58.200 0.071 0.000 0.912 1266 S CB 0.257 63.503 63.200 0.076 0.000 1.150 1266 S HN 0.152 nan 8.310 nan 0.000 0.502 1267 P HA 0.270 nan 4.420 nan 0.000 0.271 1267 P C -0.604 176.747 177.300 0.086 0.000 1.233 1267 P CA 0.058 63.202 63.100 0.074 0.000 0.789 1267 P CB 0.160 31.901 31.700 0.069 0.000 0.951 1268 D N 0.082 120.535 120.400 0.088 0.000 2.426 1268 D HA -0.052 4.588 4.640 -0.000 0.000 0.261 1268 D C 0.631 177.002 176.300 0.118 0.000 1.245 1268 D CA 0.504 54.562 54.000 0.096 0.000 0.917 1268 D CB -0.058 40.796 40.800 0.089 0.000 1.123 1268 D HN 0.195 nan 8.370 nan 0.000 0.508 1269 T N 4.674 119.301 114.554 0.121 0.000 2.620 1269 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 1269 T C 1.825 176.671 174.700 0.244 0.000 1.044 1269 T CA 1.197 63.392 62.100 0.158 0.000 1.161 1269 T CB -0.162 68.823 68.868 0.195 0.000 0.862 1269 T HN 0.507 nan 8.240 nan 0.000 0.438 1270 I N 1.837 122.554 120.570 0.245 0.000 2.151 1270 I HA -0.191 3.979 4.170 -0.000 0.000 0.243 1270 I C 2.931 179.240 176.117 0.319 0.000 1.080 1270 I CA 1.514 62.987 61.300 0.289 0.000 1.339 1270 I CB -1.750 36.375 38.000 0.209 0.000 1.039 1270 I HN 0.248 nan 8.210 nan 0.000 0.409 1271 A N 0.092 123.096 122.820 0.306 0.000 2.121 1271 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 1271 A C 2.227 179.894 177.584 0.138 0.000 1.154 1271 A CA 1.011 53.248 52.037 0.334 0.000 0.679 1271 A CB -0.402 18.846 19.000 0.413 0.000 0.795 1271 A HN 0.556 nan 8.150 nan 0.000 0.458 1272 Q N -1.311 118.539 119.800 0.083 0.000 1.994 1272 Q HA -0.194 4.146 4.340 -0.000 0.000 0.198 1272 Q C 1.932 177.876 176.000 -0.094 0.000 0.976 1272 Q CA 1.552 57.315 55.803 -0.067 0.000 0.828 1272 Q CB -0.350 28.262 28.738 -0.209 0.000 0.894 1272 Q HN 0.908 nan 8.270 nan 0.000 0.432 1273 W N 0.919 122.223 121.300 0.007 0.000 2.387 1273 W HA -0.142 4.518 4.660 -0.000 0.000 0.272 1273 W C 2.381 178.857 176.519 -0.072 0.000 1.224 1273 W CA 0.827 58.159 57.345 -0.022 0.000 1.210 1273 W CB -0.114 29.344 29.460 -0.002 0.000 1.125 1273 W HN 0.229 nan 8.180 nan 0.000 0.572 1274 A N -0.400 122.483 122.820 0.106 0.000 1.898 1274 A HA -0.114 4.206 4.320 -0.000 0.000 0.214 1274 A C 1.902 179.342 177.584 -0.240 0.000 1.183 1274 A CA 1.925 53.888 52.037 -0.123 0.000 0.622 1274 A CB -1.121 17.702 19.000 -0.295 0.000 0.824 1274 A HN 0.173 nan 8.150 nan 0.000 0.444 1275 T N 0.434 114.880 114.554 -0.181 0.000 2.777 1275 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 1275 T C 1.805 176.422 174.700 -0.137 0.000 1.040 1275 T CA 1.169 63.176 62.100 -0.155 0.000 1.141 1275 T CB -0.384 68.472 68.868 -0.021 0.000 0.868 1275 T HN 0.323 nan 8.240 nan 0.000 0.444 1276 L N 0.819 121.979 121.223 -0.104 0.000 2.189 1276 L HA -0.195 4.145 4.340 -0.000 0.000 0.214 1276 L C 2.640 179.467 176.870 -0.073 0.000 1.097 1276 L CA 1.606 56.393 54.840 -0.088 0.000 0.764 1276 L CB -0.209 41.816 42.059 -0.057 0.000 0.900 1276 L HN 0.283 nan 8.230 nan 0.000 0.436 1277 E N -0.014 120.130 120.200 -0.094 0.000 2.033 1277 E HA -0.149 4.201 4.350 -0.000 0.000 0.189 1277 E C 2.018 178.505 176.600 -0.187 0.000 0.979 1277 E CA 1.414 57.750 56.400 -0.106 0.000 0.802 1277 E CB -0.176 29.446 29.700 -0.129 0.000 0.763 1277 E HN 0.388 nan 8.360 nan 0.000 0.449 1278 A N 0.460 123.058 122.820 -0.371 0.000 2.024 1278 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 1278 A C 2.213 179.558 177.584 -0.398 0.000 1.164 1278 A CA 1.307 52.980 52.037 -0.605 0.000 0.643 1278 A CB -0.553 17.801 19.000 -1.076 0.000 0.806 1278 A HN 0.362 nan 8.150 nan 0.000 0.451 1279 L N -0.906 120.205 121.223 -0.186 0.000 2.168 1279 L HA -0.065 4.275 4.340 -0.000 0.000 0.203 1279 L C 2.942 179.773 176.870 -0.066 0.000 1.078 1279 L CA 1.583 56.377 54.840 -0.078 0.000 0.780 1279 L CB -0.528 41.467 42.059 -0.106 0.000 0.939 1279 L HN 0.604 nan 8.230 nan 0.000 0.451 1280 T N -3.774 110.739 114.554 -0.068 0.000 2.985 1280 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 1280 T C 1.205 175.888 174.700 -0.029 0.000 1.076 1280 T CA 0.320 62.396 62.100 -0.040 0.000 1.135 1280 T CB -0.282 68.572 68.868 -0.024 0.000 0.890 1280 T HN 0.049 nan 8.240 nan 0.000 0.480 1281 N N 1.613 120.296 118.700 -0.029 0.000 3.034 1281 N HA 0.167 4.907 4.740 -0.000 0.000 0.265 1281 N C 0.788 176.271 175.510 -0.045 0.000 1.166 1281 N CA -0.067 52.968 53.050 -0.025 0.000 1.081 1281 N CB 0.709 39.211 38.487 0.024 0.000 1.378 1281 N HN 0.425 nan 8.380 nan 0.000 0.520 1282 Q N 1.348 121.126 119.800 -0.036 0.000 1.935 1282 Q HA -0.212 4.128 4.340 -0.000 0.000 0.212 1282 Q C 1.159 177.129 176.000 -0.049 0.000 1.008 1282 Q CA 2.295 58.082 55.803 -0.028 0.000 0.868 1282 Q CB -0.042 28.688 28.738 -0.013 0.000 0.946 1282 Q HN 0.586 nan 8.270 nan 0.000 0.418 1283 E N -0.332 119.834 120.200 -0.056 0.000 2.271 1283 E HA -0.343 4.007 4.350 -0.000 0.000 0.209 1283 E C 1.659 178.190 176.600 -0.116 0.000 1.046 1283 E CA 1.147 57.504 56.400 -0.072 0.000 0.840 1283 E CB -0.298 29.361 29.700 -0.067 0.000 0.738 1283 E HN 0.445 nan 8.360 nan 0.000 0.470 1284 A N 0.579 123.278 122.820 -0.201 0.000 1.871 1284 A HA -0.028 4.292 4.320 -0.000 0.000 0.211 1284 A C 2.334 179.770 177.584 -0.247 0.000 1.207 1284 A CA 1.017 52.830 52.037 -0.374 0.000 0.620 1284 A CB -0.225 18.259 19.000 -0.860 0.000 0.860 1284 A HN 0.124 nan 8.150 nan 0.000 0.450 1285 S N -0.365 115.255 115.700 -0.134 0.000 2.368 1285 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 1285 S C 2.051 176.706 174.600 0.090 0.000 1.030 1285 S CA 1.397 59.620 58.200 0.038 0.000 0.999 1285 S CB -0.383 62.790 63.200 -0.046 0.000 0.844 1285 S HN 0.603 nan 8.310 nan 0.000 0.459 1286 R N 1.291 121.805 120.500 0.023 0.000 2.139 1286 R HA -0.152 4.188 4.340 -0.000 0.000 0.243 1286 R C 2.205 178.510 176.300 0.009 0.000 1.145 1286 R CA 1.438 57.545 56.100 0.012 0.000 0.976 1286 R CB -0.399 29.899 30.300 -0.002 0.000 0.866 1286 R HN 0.413 nan 8.270 nan 0.000 0.449 1287 A N 0.057 122.881 122.820 0.007 0.000 1.897 1287 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 1287 A C 1.901 179.496 177.584 0.019 0.000 1.181 1287 A CA 0.898 52.935 52.037 -0.001 0.000 0.620 1287 A CB -0.662 18.328 19.000 -0.018 0.000 0.821 1287 A HN 0.500 nan 8.150 nan 0.000 0.443 1288 F N 1.028 120.940 119.950 -0.063 0.000 2.134 1288 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 1288 F C 2.166 177.923 175.800 -0.071 0.000 1.097 1288 F CA 1.800 59.755 58.000 -0.074 0.000 1.264 1288 F CB -0.457 38.538 39.000 -0.008 0.000 1.001 1288 F HN 0.028 nan 8.300 nan 0.000 0.479 1289 V N 0.693 120.537 119.914 -0.115 0.000 2.233 1289 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 1289 V C 2.509 178.492 176.094 -0.184 0.000 1.050 1289 V CA 2.212 64.404 62.300 -0.181 0.000 1.010 1289 V CB -0.817 30.955 31.823 -0.084 0.000 0.637 1289 V HN 0.240 nan 8.190 nan 0.000 0.444 1290 E N -0.418 119.720 120.200 -0.102 0.000 2.114 1290 E HA -0.304 4.046 4.350 -0.000 0.000 0.199 1290 E C 2.055 178.579 176.600 -0.126 0.000 1.008 1290 E CA 1.923 58.280 56.400 -0.072 0.000 0.810 1290 E CB -0.447 29.229 29.700 -0.040 0.000 0.739 1290 E HN 0.574 nan 8.360 nan 0.000 0.456 1291 M N 0.064 119.533 119.600 -0.219 0.000 2.064 1291 M HA -0.155 4.325 4.480 -0.000 0.000 0.260 1291 M C 2.255 178.316 176.300 -0.398 0.000 1.073 1291 M CA 1.808 56.939 55.300 -0.281 0.000 1.124 1291 M CB -0.217 32.188 32.600 -0.325 0.000 1.326 1291 M HN 0.086 nan 8.290 nan 0.000 0.410 1292 A N 0.631 123.057 122.820 -0.656 0.000 1.892 1292 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 1292 A C 2.244 179.663 177.584 -0.275 0.000 1.188 1292 A CA 2.167 53.796 52.037 -0.680 0.000 0.631 1292 A CB -0.964 17.622 19.000 -0.690 0.000 0.822 1292 A HN 0.628 nan 8.150 nan 0.000 0.447 1293 R N -0.587 119.905 120.500 -0.012 0.000 2.070 1293 R HA -0.153 4.187 4.340 -0.000 0.000 0.233 1293 R C 1.895 178.281 176.300 0.143 0.000 1.137 1293 R CA 1.689 57.942 56.100 0.255 0.000 0.945 1293 R CB -0.285 30.173 30.300 0.263 0.000 0.845 1293 R HN 0.491 nan 8.270 nan 0.000 0.430 1294 E N 0.299 120.512 120.200 0.022 0.000 2.204 1294 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 1294 E C 1.735 178.297 176.600 -0.062 0.000 0.990 1294 E CA 1.057 57.446 56.400 -0.018 0.000 0.821 1294 E CB -0.195 29.489 29.700 -0.027 0.000 0.750 1294 E HN 0.440 nan 8.360 nan 0.000 0.477 1295 A N 0.655 123.414 122.820 -0.102 0.000 1.832 1295 A HA -0.171 4.149 4.320 -0.000 0.000 0.214 1295 A C 2.073 179.593 177.584 -0.106 0.000 1.200 1295 A CA 1.250 53.221 52.037 -0.109 0.000 0.610 1295 A CB -1.177 17.772 19.000 -0.085 0.000 0.842 1295 A HN 0.287 nan 8.150 nan 0.000 0.444 1296 Y N -0.480 119.885 120.300 0.109 0.000 2.256 1296 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 1296 Y C 2.643 178.368 175.900 -0.291 0.000 1.155 1296 Y CA 1.494 59.644 58.100 0.083 0.000 1.203 1296 Y CB -0.197 38.465 38.460 0.338 0.000 0.980 1296 Y HN 0.273 nan 8.280 nan 0.000 0.530 1297 R N 1.160 121.471 120.500 -0.314 0.000 2.091 1297 R HA -0.214 4.126 4.340 -0.000 0.000 0.238 1297 R C 2.516 178.617 176.300 -0.332 0.000 1.136 1297 R CA 1.845 57.613 56.100 -0.553 0.000 0.959 1297 R CB -0.245 29.866 30.300 -0.315 0.000 0.856 1297 R HN 0.375 nan 8.270 nan 0.000 0.437 1298 R N 0.379 120.765 120.500 -0.191 0.000 2.090 1298 R HA -0.071 4.269 4.340 -0.000 0.000 0.228 1298 R C 1.992 178.203 176.300 -0.148 0.000 1.110 1298 R CA 1.135 57.151 56.100 -0.141 0.000 0.973 1298 R CB -0.222 30.027 30.300 -0.086 0.000 0.869 1298 R HN 0.193 nan 8.270 nan 0.000 0.440 1299 R N 0.231 120.654 120.500 -0.128 0.000 2.075 1299 R HA -0.031 4.309 4.340 -0.000 0.000 0.232 1299 R C 2.560 178.689 176.300 -0.285 0.000 1.126 1299 R CA 1.045 57.087 56.100 -0.098 0.000 0.963 1299 R CB -0.508 29.827 30.300 0.058 0.000 0.858 1299 R HN 0.144 nan 8.270 nan 0.000 0.435 1300 R N 1.485 121.637 120.500 -0.579 0.000 2.096 1300 R HA -0.177 4.163 4.340 -0.000 0.000 0.240 1300 R C 1.056 177.087 176.300 -0.447 0.000 1.139 1300 R CA 1.995 57.505 56.100 -0.983 0.000 0.952 1300 R CB -0.392 29.387 30.300 -0.868 0.000 0.854 1300 R HN 0.279 nan 8.270 nan 0.000 0.436 1301 D N 0.221 120.448 120.400 -0.287 0.000 2.249 1301 D HA -0.107 4.533 4.640 -0.000 0.000 0.205 1301 D C 1.762 177.999 176.300 -0.106 0.000 0.962 1301 D CA 0.545 54.450 54.000 -0.159 0.000 0.860 1301 D CB -0.056 40.670 40.800 -0.124 0.000 0.955 1301 D HN 0.273 nan 8.370 nan 0.000 0.505 1302 L N -0.432 120.726 121.223 -0.108 0.000 2.599 1302 L HA 0.143 4.483 4.340 -0.000 0.000 0.230 1302 L C 1.452 178.293 176.870 -0.049 0.000 1.141 1302 L CA 0.633 55.434 54.840 -0.065 0.000 0.877 1302 L CB 0.143 42.166 42.059 -0.059 0.000 1.009 1302 L HN -0.059 nan 8.230 nan 0.000 0.447 1303 L N -1.627 119.558 121.223 -0.063 0.000 2.347 1303 L HA 0.047 4.387 4.340 -0.000 0.000 0.196 1303 L C 2.185 179.065 176.870 0.016 0.000 1.072 1303 L CA 0.322 55.157 54.840 -0.008 0.000 0.817 1303 L CB -0.118 41.947 42.059 0.010 0.000 1.029 1303 L HN 0.225 nan 8.230 nan 0.000 0.478 1304 L N 0.695 121.906 121.223 -0.020 0.000 2.013 1304 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 1304 L C 2.463 179.345 176.870 0.019 0.000 1.073 1304 L CA 1.921 56.767 54.840 0.009 0.000 0.753 1304 L CB -1.037 41.012 42.059 -0.017 0.000 0.890 1304 L HN 0.390 nan 8.230 nan 0.000 0.432 1305 E N -0.646 119.554 120.200 -0.000 0.000 2.017 1305 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 1305 E C 2.097 178.710 176.600 0.021 0.000 0.997 1305 E CA 1.167 57.571 56.400 0.006 0.000 0.804 1305 E CB -0.395 29.301 29.700 -0.007 0.000 0.757 1305 E HN 0.557 nan 8.360 nan 0.000 0.448 1306 G N 1.083 109.896 108.800 0.021 0.000 2.432 1306 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 1306 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 1306 G C 1.563 176.507 174.900 0.073 0.000 1.135 1306 G CA 0.348 45.470 45.100 0.036 0.000 0.767 1306 G HN 0.063 nan 8.290 nan 0.000 0.550 1307 L N 0.046 121.324 121.223 0.092 0.000 2.027 1307 L HA -0.060 4.280 4.340 -0.000 0.000 0.206 1307 L C 3.181 180.102 176.870 0.085 0.000 1.074 1307 L CA 1.555 56.472 54.840 0.128 0.000 0.745 1307 L CB -0.479 41.663 42.059 0.138 0.000 0.898 1307 L HN 0.176 nan 8.230 nan 0.000 0.433 1308 T N -0.433 114.158 114.554 0.062 0.000 2.821 1308 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 1308 T C 1.753 176.476 174.700 0.039 0.000 1.046 1308 T CA 1.187 63.315 62.100 0.046 0.000 1.139 1308 T CB -0.090 68.800 68.868 0.037 0.000 0.871 1308 T HN 0.426 nan 8.240 nan 0.000 0.454 1309 A N 0.461 123.304 122.820 0.038 0.000 2.119 1309 A HA 0.211 4.531 4.320 -0.000 0.000 0.217 1309 A C 2.136 179.743 177.584 0.037 0.000 1.153 1309 A CA 0.713 52.769 52.037 0.032 0.000 0.692 1309 A CB -0.498 18.517 19.000 0.026 0.000 0.799 1309 A HN 0.468 nan 8.150 nan 0.000 0.458 1310 L N -2.213 119.042 121.223 0.052 0.000 2.270 1310 L HA 0.158 4.498 4.340 -0.000 0.000 0.210 1310 L C 2.000 178.895 176.870 0.042 0.000 1.104 1310 L CA 0.977 55.852 54.840 0.059 0.000 0.804 1310 L CB 0.072 42.189 42.059 0.097 0.000 0.937 1310 L HN 0.572 nan 8.230 nan 0.000 0.450 1311 G N -0.662 108.160 108.800 0.037 0.000 2.481 1311 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.200 1311 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.200 1311 G C 0.143 175.053 174.900 0.018 0.000 1.012 1311 G CA -0.384 44.730 45.100 0.023 0.000 0.676 1311 G HN 0.073 nan 8.290 nan 0.000 0.488 1312 L N 2.093 123.327 121.223 0.018 0.000 2.506 1312 L HA 0.382 4.722 4.340 -0.000 0.000 0.281 1312 L C 0.573 177.458 176.870 0.024 0.000 1.228 1312 L CA 0.250 55.091 54.840 0.002 0.000 0.850 1312 L CB 0.360 42.407 42.059 -0.019 0.000 1.110 1312 L HN 0.001 nan 8.230 nan 0.000 0.496 1313 K N 2.557 122.969 120.400 0.019 0.000 2.185 1313 K HA 0.828 5.148 4.320 -0.000 0.000 0.269 1313 K C -0.597 176.055 176.600 0.086 0.000 0.987 1313 K CA -0.377 55.937 56.287 0.045 0.000 0.865 1313 K CB 1.851 34.371 32.500 0.034 0.000 1.090 1313 K HN 0.688 nan 8.250 nan 0.000 0.450 1314 A N 1.484 124.367 122.820 0.105 0.000 2.594 1314 A HA 0.518 4.838 4.320 -0.000 0.000 0.295 1314 A C -1.078 176.591 177.584 0.142 0.000 1.071 1314 A CA -0.804 51.322 52.037 0.149 0.000 0.685 1314 A CB 1.327 20.416 19.000 0.148 0.000 1.285 1314 A HN 0.275 nan 8.150 nan 0.000 0.405 1315 V N 2.166 122.190 119.914 0.184 0.000 2.353 1315 V HA 0.315 4.435 4.120 -0.000 0.000 0.264 1315 V C 1.000 177.195 176.094 0.168 0.000 1.049 1315 V CA -0.615 61.788 62.300 0.173 0.000 0.896 1315 V CB 0.642 32.622 31.823 0.261 0.000 1.025 1315 V HN 0.855 nan 8.190 nan 0.000 0.475 1316 R N 7.348 127.923 120.500 0.125 0.000 2.723 1316 R HA 0.035 4.375 4.340 -0.000 0.000 0.358 1316 R C -1.984 174.404 176.300 0.147 0.000 0.966 1316 R CA -0.730 55.440 56.100 0.116 0.000 1.022 1316 R CB 0.249 30.599 30.300 0.084 0.000 0.945 1316 R HN 0.551 nan 8.270 nan 0.000 0.420 1317 P HA 0.083 nan 4.420 nan 0.000 0.274 1317 P C -0.442 176.987 177.300 0.215 0.000 1.246 1317 P CA -0.293 62.928 63.100 0.201 0.000 0.795 1317 P CB 1.192 33.048 31.700 0.260 0.000 1.006 1318 S N -0.941 114.855 115.700 0.160 0.000 2.554 1318 S HA 0.348 4.818 4.470 -0.000 0.000 0.227 1318 S C 0.753 175.310 174.600 -0.071 0.000 1.050 1318 S CA 0.253 58.536 58.200 0.137 0.000 0.927 1318 S CB 0.489 63.739 63.200 0.083 0.000 0.859 1318 S HN 0.821 nan 8.310 nan 0.000 0.494 1319 G N 0.125 108.837 108.800 -0.146 0.000 2.725 1319 G HA2 0.720 4.680 3.960 -0.000 0.000 0.288 1319 G HA3 0.720 4.680 3.960 -0.000 0.000 0.288 1319 G C -0.535 174.198 174.900 -0.279 0.000 1.399 1319 G CA -0.038 44.813 45.100 -0.415 0.000 0.859 1319 G HN 0.805 nan 8.290 nan 0.000 0.479 1320 A N -1.279 121.321 122.820 -0.367 0.000 6.643 1320 A HA 0.218 4.538 4.320 -0.000 0.000 0.230 1320 A C 0.012 177.359 177.584 -0.395 0.000 2.273 1320 A CA 1.133 52.856 52.037 -0.522 0.000 0.690 1320 A CB -1.397 17.134 19.000 -0.781 0.000 0.908 1320 A HN 2.309 nan 8.150 nan 0.000 0.366 1321 F N -2.730 116.771 119.950 -0.748 0.000 2.761 1321 F HA 0.723 5.250 4.527 -0.000 0.000 0.367 1321 F C -0.388 174.509 175.800 -1.505 0.000 1.386 1321 F CA -1.016 56.307 58.000 -1.128 0.000 1.177 1321 F CB -0.767 37.553 39.000 -1.133 0.000 1.092 1321 F HN 0.501 nan 8.300 nan 0.000 0.517 1322 Y N -1.024 119.132 120.300 -0.240 0.000 2.602 1322 Y HA 0.821 5.371 4.550 -0.000 0.000 0.342 1322 Y C -0.550 175.396 175.900 0.078 0.000 1.029 1322 Y CA -1.857 56.159 58.100 -0.140 0.000 1.080 1322 Y CB 2.559 40.902 38.460 -0.195 0.000 1.284 1322 Y HN -0.137 nan 8.280 nan 0.000 0.485 1323 V N 2.611 122.677 119.914 0.253 0.000 2.752 1323 V HA 0.223 4.343 4.120 -0.000 0.000 0.302 1323 V C -1.002 175.171 176.094 0.133 0.000 1.133 1323 V CA -0.844 61.598 62.300 0.236 0.000 0.919 1323 V CB 2.250 34.256 31.823 0.305 0.000 1.026 1323 V HN 0.601 nan 8.190 nan 0.000 0.429 1324 L N 5.281 126.562 121.223 0.097 0.000 2.268 1324 L HA 0.511 4.851 4.340 -0.000 0.000 0.289 1324 L C -0.018 176.986 176.870 0.224 0.000 1.064 1324 L CA 0.019 54.896 54.840 0.063 0.000 0.824 1324 L CB 0.984 42.993 42.059 -0.083 0.000 1.202 1324 L HN 0.702 nan 8.230 nan 0.000 0.433 1325 M N 3.548 123.262 119.600 0.190 0.000 2.188 1325 M HA 0.169 4.649 4.480 -0.000 0.000 0.357 1325 M C -0.325 176.039 176.300 0.107 0.000 1.204 1325 M CA -0.508 54.888 55.300 0.160 0.000 1.095 1325 M CB 1.213 33.856 32.600 0.071 0.000 1.604 1325 M HN 0.331 nan 8.290 nan 0.000 0.464 1326 D N 2.962 123.373 120.400 0.020 0.000 2.367 1326 D HA 0.030 4.670 4.640 -0.000 0.000 0.255 1326 D C 1.155 177.355 176.300 -0.166 0.000 1.300 1326 D CA 0.204 54.073 54.000 -0.220 0.000 0.959 1326 D CB 0.737 41.446 40.800 -0.152 0.000 1.064 1326 D HN 0.706 nan 8.370 nan 0.000 0.509 1327 T N -0.132 114.317 114.554 -0.176 0.000 3.163 1327 T HA -0.133 4.216 4.350 -0.000 0.000 0.260 1327 T C 1.952 176.587 174.700 -0.109 0.000 1.156 1327 T CA 0.737 62.758 62.100 -0.131 0.000 1.072 1327 T CB -0.125 68.683 68.868 -0.100 0.000 0.937 1327 T HN 0.203 nan 8.240 nan 0.000 0.528 1328 S N 2.892 118.519 115.700 -0.122 0.000 2.414 1328 S HA -0.118 4.352 4.470 -0.000 0.000 0.241 1328 S C 0.058 174.624 174.600 -0.057 0.000 1.079 1328 S CA 1.889 60.039 58.200 -0.084 0.000 1.087 1328 S CB -0.909 62.240 63.200 -0.085 0.000 0.927 1328 S HN 0.693 nan 8.310 nan 0.000 0.456 1329 P HA 0.309 nan 4.420 nan 0.000 0.272 1329 P C 1.219 178.491 177.300 -0.047 0.000 1.276 1329 P CA 0.116 63.190 63.100 -0.043 0.000 0.871 1329 P CB -0.010 31.668 31.700 -0.037 0.000 1.313 1330 I N -0.629 119.902 120.570 -0.066 0.000 3.428 1330 I HA 0.219 4.389 4.170 -0.000 0.000 0.286 1330 I C 0.661 176.748 176.117 -0.050 0.000 1.287 1330 I CA 0.272 61.530 61.300 -0.071 0.000 1.396 1330 I CB 0.131 38.059 38.000 -0.121 0.000 1.062 1330 I HN -0.038 nan 8.210 nan 0.000 0.471 1331 A N 0.134 122.930 122.820 -0.040 0.000 2.343 1331 A HA 0.324 4.644 4.320 -0.000 0.000 0.296 1331 A C -2.357 175.213 177.584 -0.023 0.000 1.020 1331 A CA -0.520 51.502 52.037 -0.025 0.000 0.579 1331 A CB -0.255 18.732 19.000 -0.023 0.000 1.441 1331 A HN -0.094 nan 8.150 nan 0.000 0.552 1332 P HA 0.193 nan 4.420 nan 0.000 0.259 1332 P C -0.500 176.801 177.300 0.002 0.000 1.233 1332 P CA 1.069 64.164 63.100 -0.007 0.000 0.827 1332 P CB 0.431 32.130 31.700 -0.003 0.000 1.154 1333 D N -0.035 120.369 120.400 0.008 0.000 2.523 1333 D HA 0.018 4.658 4.640 -0.000 0.000 0.236 1333 D C 0.517 176.830 176.300 0.021 0.000 1.094 1333 D CA -0.401 53.616 54.000 0.029 0.000 0.942 1333 D CB 1.553 42.377 40.800 0.041 0.000 1.447 1333 D HN -0.193 nan 8.370 nan 0.000 0.479 1334 E N 0.741 120.966 120.200 0.042 0.000 2.502 1334 E HA -0.005 4.344 4.350 -0.000 0.000 0.194 1334 E C 0.777 177.385 176.600 0.014 0.000 1.062 1334 E CA 0.320 56.733 56.400 0.021 0.000 0.867 1334 E CB -0.032 29.687 29.700 0.031 0.000 0.888 1334 E HN 0.264 nan 8.360 nan 0.000 0.510 1335 V N 0.447 120.374 119.914 0.022 0.000 2.795 1335 V HA 0.036 4.156 4.120 -0.000 0.000 0.243 1335 V C 2.170 178.272 176.094 0.012 0.000 1.069 1335 V CA 0.824 63.135 62.300 0.018 0.000 1.089 1335 V CB -0.169 31.670 31.823 0.026 0.000 0.756 1335 V HN 0.090 nan 8.190 nan 0.000 0.471 1336 R N 1.082 121.589 120.500 0.011 0.000 2.093 1336 R HA 0.164 4.504 4.340 -0.000 0.000 0.224 1336 R C 2.269 178.568 176.300 -0.002 0.000 1.101 1336 R CA 1.268 57.372 56.100 0.007 0.000 0.979 1336 R CB -1.042 29.262 30.300 0.007 0.000 0.877 1336 R HN 0.451 nan 8.270 nan 0.000 0.441 1337 A N 0.416 123.231 122.820 -0.009 0.000 2.076 1337 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 1337 A C 2.138 179.705 177.584 -0.028 0.000 1.160 1337 A CA 1.776 53.796 52.037 -0.028 0.000 0.653 1337 A CB -0.635 18.342 19.000 -0.038 0.000 0.801 1337 A HN 0.359 nan 8.150 nan 0.000 0.455 1338 A N -0.294 122.521 122.820 -0.009 0.000 1.878 1338 A HA -0.013 4.307 4.320 -0.000 0.000 0.213 1338 A C 1.895 179.486 177.584 0.012 0.000 1.192 1338 A CA 1.211 53.249 52.037 0.002 0.000 0.619 1338 A CB -0.318 18.687 19.000 0.010 0.000 0.837 1338 A HN 0.570 nan 8.150 nan 0.000 0.446 1339 E N -0.555 119.653 120.200 0.012 0.000 2.107 1339 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 1339 E C 2.155 178.765 176.600 0.017 0.000 0.982 1339 E CA 1.034 57.444 56.400 0.017 0.000 0.809 1339 E CB -0.140 29.569 29.700 0.014 0.000 0.756 1339 E HN 0.484 nan 8.360 nan 0.000 0.459 1340 R N 1.417 121.922 120.500 0.009 0.000 2.139 1340 R HA -0.142 4.198 4.340 -0.000 0.000 0.243 1340 R C 1.845 178.156 176.300 0.019 0.000 1.145 1340 R CA 1.325 57.429 56.100 0.007 0.000 0.976 1340 R CB -0.381 29.915 30.300 -0.008 0.000 0.866 1340 R HN 0.188 nan 8.270 nan 0.000 0.449 1341 L N -0.609 120.627 121.223 0.020 0.000 2.307 1341 L HA 0.063 4.403 4.340 -0.000 0.000 0.211 1341 L C 2.180 179.099 176.870 0.080 0.000 1.099 1341 L CA 0.385 55.258 54.840 0.056 0.000 0.816 1341 L CB -0.174 41.909 42.059 0.041 0.000 0.952 1341 L HN 0.234 nan 8.230 nan 0.000 0.455 1342 L N -0.288 120.969 121.223 0.056 0.000 2.376 1342 L HA -0.158 4.182 4.340 -0.000 0.000 0.219 1342 L C 2.179 179.076 176.870 0.046 0.000 1.133 1342 L CA 0.911 55.783 54.840 0.053 0.000 0.816 1342 L CB 0.069 42.151 42.059 0.039 0.000 0.933 1342 L HN 0.320 nan 8.230 nan 0.000 0.449 1343 E N -0.189 120.036 120.200 0.042 0.000 2.152 1343 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 1343 E C 1.667 178.293 176.600 0.043 0.000 0.983 1343 E CA 0.947 57.368 56.400 0.035 0.000 0.818 1343 E CB 0.061 29.778 29.700 0.029 0.000 0.758 1343 E HN 0.457 nan 8.360 nan 0.000 0.467 1344 A N 0.066 122.922 122.820 0.061 0.000 2.327 1344 A HA 0.345 4.665 4.320 -0.000 0.000 0.228 1344 A C 1.058 178.682 177.584 0.066 0.000 1.275 1344 A CA 0.497 52.576 52.037 0.070 0.000 0.875 1344 A CB -0.570 18.495 19.000 0.107 0.000 0.925 1344 A HN 0.249 nan 8.150 nan 0.000 0.493 1345 G N -0.999 107.833 108.800 0.055 0.000 2.351 1345 G HA2 -0.010 3.949 3.960 -0.000 0.000 0.297 1345 G HA3 -0.010 3.949 3.960 -0.000 0.000 0.297 1345 G C -0.199 174.732 174.900 0.051 0.000 1.054 1345 G CA 0.498 45.623 45.100 0.043 0.000 1.123 1345 G HN 1.518 nan 8.290 nan 0.000 0.512 1346 V N -0.057 119.906 119.914 0.081 0.000 2.663 1346 V HA 0.717 4.837 4.120 -0.000 0.000 0.286 1346 V C 0.184 176.349 176.094 0.118 0.000 1.085 1346 V CA 0.007 62.369 62.300 0.104 0.000 0.916 1346 V CB 1.331 33.256 31.823 0.170 0.000 1.039 1346 V HN 1.777 nan 8.190 nan 0.000 0.453 1347 A N 6.779 129.649 122.820 0.084 0.000 2.347 1347 A HA 0.753 5.073 4.320 -0.000 0.000 0.287 1347 A C -0.068 177.572 177.584 0.092 0.000 1.199 1347 A CA 0.206 52.289 52.037 0.076 0.000 0.851 1347 A CB 0.696 19.728 19.000 0.054 0.000 1.118 1347 A HN 1.766 nan 8.150 nan 0.000 0.525 1348 V N 0.812 120.780 119.914 0.090 0.000 3.103 1348 V HA 0.853 4.973 4.120 -0.000 0.000 0.318 1348 V C -0.306 175.825 176.094 0.062 0.000 1.114 1348 V CA -0.863 61.490 62.300 0.089 0.000 1.020 1348 V CB 1.699 33.575 31.823 0.089 0.000 1.085 1348 V HN 0.533 nan 8.190 nan 0.000 0.446 1349 V N 1.825 121.769 119.914 0.051 0.000 2.378 1349 V HA 0.453 4.573 4.120 -0.000 0.000 0.288 1349 V C -2.502 173.610 176.094 0.030 0.000 1.016 1349 V CA -1.853 60.479 62.300 0.055 0.000 0.840 1349 V CB 1.324 33.197 31.823 0.083 0.000 0.994 1349 V HN 0.866 nan 8.190 nan 0.000 0.431 1350 P HA 0.091 nan 4.420 nan 0.000 0.264 1350 P C 1.113 178.422 177.300 0.015 0.000 1.193 1350 P CA 0.240 63.346 63.100 0.010 0.000 0.763 1350 P CB 0.761 32.464 31.700 0.004 0.000 0.810 1351 G N 2.325 111.105 108.800 -0.034 0.000 2.708 1351 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.210 1351 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.210 1351 G C 1.213 176.001 174.900 -0.188 0.000 1.141 1351 G CA 0.499 45.556 45.100 -0.072 0.000 0.788 1351 G HN 0.385 nan 8.290 nan 0.000 0.531 1352 T N 1.220 115.625 114.554 -0.249 0.000 2.653 1352 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 1352 T C 1.548 175.964 174.700 -0.473 0.000 1.035 1352 T CA 1.646 63.459 62.100 -0.479 0.000 1.154 1352 T CB -0.210 68.529 68.868 -0.214 0.000 0.862 1352 T HN 0.235 nan 8.240 nan 0.000 0.441 1353 D N -0.185 120.059 120.400 -0.260 0.000 2.319 1353 D HA 0.168 4.808 4.640 -0.000 0.000 0.230 1353 D C 0.368 176.309 176.300 -0.598 0.000 1.094 1353 D CA 0.201 53.997 54.000 -0.340 0.000 0.856 1353 D CB -0.124 40.486 40.800 -0.316 0.000 0.915 1353 D HN 0.418 nan 8.370 nan 0.000 0.517 1354 F N -0.326 119.305 119.950 -0.530 0.000 2.746 1354 F HA 0.337 4.864 4.527 -0.000 0.000 0.320 1354 F C 1.229 176.525 175.800 -0.840 0.000 1.097 1354 F CA -0.292 57.284 58.000 -0.707 0.000 1.195 1354 F CB 0.510 39.247 39.000 -0.438 0.000 1.056 1354 F HN -0.107 nan 8.300 nan 0.000 0.562 1355 A N 0.696 123.177 122.820 -0.565 0.000 2.832 1355 A HA -0.162 4.158 4.320 -0.000 0.000 0.280 1355 A C 1.368 178.893 177.584 -0.098 0.000 1.464 1355 A CA 0.876 52.747 52.037 -0.276 0.000 0.804 1355 A CB -1.970 17.012 19.000 -0.031 0.000 1.020 1355 A HN 0.633 nan 8.150 nan 0.000 0.563 1356 A N -0.949 121.703 122.820 -0.280 0.000 2.387 1356 A HA 0.579 4.899 4.320 -0.000 0.000 0.234 1356 A C 0.523 178.166 177.584 0.099 0.000 1.253 1356 A CA 0.005 51.983 52.037 -0.099 0.000 0.894 1356 A CB -0.432 18.454 19.000 -0.190 0.000 0.963 1356 A HN 1.216 nan 8.150 nan 0.000 0.508 1357 F N 0.226 120.236 119.950 0.100 0.000 2.179 1357 F HA 0.033 4.559 4.527 -0.000 0.000 0.434 1357 F C 1.631 177.534 175.800 0.172 0.000 0.843 1357 F CA 1.715 59.785 58.000 0.117 0.000 1.077 1357 F CB -0.591 38.459 39.000 0.082 0.000 0.834 1357 F HN 0.487 nan 8.300 nan 0.000 0.535 1358 G N 1.369 110.309 108.800 0.234 0.000 2.198 1358 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.257 1358 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.257 1358 G C -0.481 174.335 174.900 -0.141 0.000 1.042 1358 G CA 0.172 45.306 45.100 0.057 0.000 0.791 1358 G HN 1.060 nan 8.290 nan 0.000 0.502 1359 H N -2.658 116.431 119.070 0.031 0.000 3.017 1359 H HA 0.745 5.301 4.556 -0.000 0.000 0.346 1359 H C -0.885 174.418 175.328 -0.042 0.000 1.286 1359 H CA -0.342 55.707 56.048 0.003 0.000 1.120 1359 H CB 2.473 32.243 29.762 0.013 0.000 1.860 1359 H HN 0.434 nan 8.280 nan 0.000 0.542 1360 V N 1.118 121.079 119.914 0.078 0.000 2.971 1360 V HA 0.407 4.527 4.120 -0.000 0.000 0.309 1360 V C -0.931 175.154 176.094 -0.015 0.000 1.130 1360 V CA -0.777 61.526 62.300 0.003 0.000 0.964 1360 V CB 2.275 34.092 31.823 -0.009 0.000 1.029 1360 V HN 0.679 nan 8.190 nan 0.000 0.427 1361 R N 4.558 125.013 120.500 -0.075 0.000 2.202 1361 R HA 0.563 4.903 4.340 -0.000 0.000 0.334 1361 R C -1.097 175.222 176.300 0.032 0.000 1.036 1361 R CA -0.349 55.695 56.100 -0.094 0.000 0.878 1361 R CB 0.486 30.606 30.300 -0.300 0.000 1.067 1361 R HN 0.634 nan 8.270 nan 0.000 0.457 1362 L N 2.035 123.319 121.223 0.102 0.000 2.379 1362 L HA 0.330 4.670 4.340 -0.000 0.000 0.269 1362 L C 0.365 177.331 176.870 0.161 0.000 1.084 1362 L CA -0.436 54.505 54.840 0.169 0.000 0.802 1362 L CB 1.859 44.061 42.059 0.238 0.000 1.175 1362 L HN 0.523 nan 8.230 nan 0.000 0.448 1363 S N 0.469 116.238 115.700 0.116 0.000 2.395 1363 S HA 0.236 4.706 4.470 -0.000 0.000 0.207 1363 S C 0.291 174.821 174.600 -0.115 0.000 1.454 1363 S CA -0.715 57.476 58.200 -0.015 0.000 1.211 1363 S CB 0.072 63.302 63.200 0.051 0.000 1.093 1363 S HN 0.500 nan 8.310 nan 0.000 0.472 1364 Y N 1.806 122.114 120.300 0.014 0.000 2.749 1364 Y HA 0.305 4.855 4.550 -0.000 0.000 0.321 1364 Y C 1.529 177.391 175.900 -0.065 0.000 1.195 1364 Y CA 0.336 58.429 58.100 -0.013 0.000 1.338 1364 Y CB -0.867 37.612 38.460 0.031 0.000 1.017 1364 Y HN 0.616 nan 8.280 nan 0.000 0.517 1365 A N 0.024 122.604 122.820 -0.399 0.000 2.235 1365 A HA 0.026 4.345 4.320 -0.000 0.000 0.208 1365 A C 1.380 178.809 177.584 -0.258 0.000 1.172 1365 A CA 0.799 52.510 52.037 -0.543 0.000 0.786 1365 A CB -0.703 17.375 19.000 -1.537 0.000 0.804 1365 A HN 0.490 nan 8.150 nan 0.000 0.479 1366 T N -1.038 113.425 114.554 -0.152 0.000 2.884 1366 T HA 0.430 4.780 4.350 -0.000 0.000 0.277 1366 T C 0.691 175.329 174.700 -0.103 0.000 0.976 1366 T CA 0.270 62.296 62.100 -0.123 0.000 0.956 1366 T CB 0.838 69.656 68.868 -0.083 0.000 1.113 1366 T HN 0.549 nan 8.240 nan 0.000 0.554 1367 S N 0.803 116.434 115.700 -0.116 0.000 2.566 1367 S HA 0.037 4.507 4.470 -0.000 0.000 0.280 1367 S C 1.270 175.829 174.600 -0.068 0.000 1.343 1367 S CA 0.007 58.140 58.200 -0.112 0.000 1.036 1367 S CB 0.229 63.370 63.200 -0.098 0.000 0.866 1367 S HN 0.806 nan 8.310 nan 0.000 0.526 1368 E N 1.231 121.392 120.200 -0.065 0.000 2.209 1368 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 1368 E C 1.609 178.182 176.600 -0.045 0.000 0.993 1368 E CA 1.421 57.794 56.400 -0.044 0.000 0.819 1368 E CB -0.048 29.626 29.700 -0.043 0.000 0.745 1368 E HN 0.882 nan 8.360 nan 0.000 0.477 1369 E N -0.235 119.935 120.200 -0.049 0.000 2.435 1369 E HA -0.009 4.341 4.350 -0.000 0.000 0.195 1369 E C 1.412 177.979 176.600 -0.054 0.000 1.029 1369 E CA 0.227 56.599 56.400 -0.047 0.000 0.865 1369 E CB 0.196 29.872 29.700 -0.041 0.000 0.833 1369 E HN 0.250 nan 8.360 nan 0.000 0.510 1370 N N -0.458 118.207 118.700 -0.058 0.000 2.368 1370 N HA -0.068 4.672 4.740 -0.000 0.000 0.176 1370 N C 1.148 176.606 175.510 -0.087 0.000 1.021 1370 N CA 0.114 53.125 53.050 -0.066 0.000 0.888 1370 N CB 0.261 38.713 38.487 -0.058 0.000 0.995 1370 N HN 0.071 nan 8.380 nan 0.000 0.437 1371 L N 1.319 122.500 121.223 -0.071 0.000 2.046 1371 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 1371 L C 2.315 179.115 176.870 -0.116 0.000 1.077 1371 L CA 1.417 56.206 54.840 -0.084 0.000 0.747 1371 L CB -1.214 40.827 42.059 -0.031 0.000 0.896 1371 L HN 0.079 nan 8.230 nan 0.000 0.432 1372 R N 0.310 120.760 120.500 -0.083 0.000 2.152 1372 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 1372 R C 2.177 178.421 176.300 -0.093 0.000 1.117 1372 R CA 1.385 57.439 56.100 -0.077 0.000 0.981 1372 R CB -0.253 30.015 30.300 -0.053 0.000 0.870 1372 R HN 0.310 nan 8.270 nan 0.000 0.451 1373 K N -1.179 119.159 120.400 -0.103 0.000 2.128 1373 K HA 0.117 4.437 4.320 -0.000 0.000 0.202 1373 K C 1.755 178.260 176.600 -0.158 0.000 1.050 1373 K CA 0.839 57.066 56.287 -0.101 0.000 0.966 1373 K CB -0.006 32.449 32.500 -0.075 0.000 0.759 1373 K HN 0.173 nan 8.250 nan 0.000 0.454 1374 A N 1.079 123.759 122.820 -0.234 0.000 1.972 1374 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 1374 A C 1.963 179.095 177.584 -0.754 0.000 1.169 1374 A CA 1.081 52.857 52.037 -0.435 0.000 0.635 1374 A CB -0.387 18.352 19.000 -0.435 0.000 0.810 1374 A HN 0.287 nan 8.150 nan 0.000 0.446 1375 L N -0.868 120.058 121.223 -0.495 0.000 2.313 1375 L HA -0.077 4.263 4.340 -0.000 0.000 0.214 1375 L C 2.430 179.205 176.870 -0.158 0.000 1.119 1375 L CA 1.444 56.065 54.840 -0.365 0.000 0.809 1375 L CB -0.092 41.866 42.059 -0.169 0.000 0.933 1375 L HN 0.615 nan 8.230 nan 0.000 0.449 1376 E N -0.183 119.937 120.200 -0.134 0.000 2.028 1376 E HA -0.187 4.163 4.350 -0.000 0.000 0.190 1376 E C 2.206 178.798 176.600 -0.014 0.000 0.984 1376 E CA 0.717 57.086 56.400 -0.051 0.000 0.800 1376 E CB 0.087 29.759 29.700 -0.048 0.000 0.758 1376 E HN 0.364 nan 8.360 nan 0.000 0.448 1377 R N -0.209 120.268 120.500 -0.039 0.000 2.152 1377 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 1377 R C 2.353 178.768 176.300 0.192 0.000 1.117 1377 R CA 1.018 57.145 56.100 0.045 0.000 0.981 1377 R CB -0.391 29.926 30.300 0.028 0.000 0.870 1377 R HN 0.348 nan 8.270 nan 0.000 0.451 1378 F N 1.203 121.161 119.950 0.013 0.000 2.084 1378 F HA -0.183 4.344 4.527 -0.000 0.000 0.296 1378 F C 2.855 178.662 175.800 0.012 0.000 1.111 1378 F CA 0.325 58.334 58.000 0.014 0.000 1.224 1378 F CB -0.372 38.639 39.000 0.018 0.000 0.991 1378 F HN 0.095 nan 8.300 nan 0.000 0.471 1379 A N 0.960 123.917 122.820 0.229 0.000 1.915 1379 A HA -0.296 4.024 4.320 -0.000 0.000 0.220 1379 A C 2.102 179.737 177.584 0.085 0.000 1.198 1379 A CA 2.266 54.376 52.037 0.122 0.000 0.647 1379 A CB -0.911 18.134 19.000 0.076 0.000 0.825 1379 A HN 0.387 nan 8.150 nan 0.000 0.456 1380 R N -1.247 119.301 120.500 0.080 0.000 2.075 1380 R HA -0.012 4.328 4.340 -0.000 0.000 0.232 1380 R C 2.063 178.396 176.300 0.055 0.000 1.126 1380 R CA 1.127 57.260 56.100 0.056 0.000 0.963 1380 R CB -0.811 29.517 30.300 0.047 0.000 0.858 1380 R HN 0.355 nan 8.270 nan 0.000 0.435 1381 V N 2.450 122.408 119.914 0.073 0.000 2.250 1381 V HA -0.230 3.890 4.120 -0.000 0.000 0.250 1381 V C 1.638 177.750 176.094 0.030 0.000 1.060 1381 V CA 1.592 63.923 62.300 0.051 0.000 1.030 1381 V CB -0.355 31.501 31.823 0.055 0.000 0.643 1381 V HN 0.152 nan 8.190 nan 0.000 0.445 1382 L N 0.000 121.242 121.223 0.032 0.000 2.949 1382 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1382 L CA 0.000 54.851 54.840 0.018 0.000 0.813 1382 L CB 0.000 42.073 42.059 0.023 0.000 0.961 1382 L HN 0.000 nan 8.230 nan 0.000 0.502