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 1c14_1_B DATA FIRST_RESID 1002 DATA SEQUENCE GFLSGKRILV TGVASKLSIA YGIAQAMHRE GAELAFTYQN DKLKGRVEEF DATA SEQUENCE AAQLGSDIVL QCDVAEDASI DTMFAELGKV WPKFDGFVHS IGFAPGDQLD DATA SEQUENCE GDYVNAVTRE GFKIAHDISS YSFVAMAKAC RSMLNPGSAL LTLSYLGAER DATA SEQUENCE AIPNYNVMGL AKASLEANVR YMANAMGPEG VRVNAISAGP IRTLAASGIK DATA SEQUENCE DFRKMLAHCE AVTPIRRTVT IEDVGNSAAF LCSDLSAGIS GEVVHVDGGF DATA SEQUENCE SIAAMN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1002 G HA2 0.000 nan 3.960 nan 0.000 0.244 1002 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1002 G C 0.000 174.894 174.900 -0.011 0.000 0.946 1002 G CA 0.000 45.053 45.100 -0.079 0.000 0.502 1003 F N -0.911 119.041 119.950 0.003 0.000 2.816 1003 F HA 0.519 5.046 4.527 -0.000 0.000 0.302 1003 F C 1.076 176.873 175.800 -0.005 0.000 1.178 1003 F CA 0.075 58.079 58.000 0.007 0.000 1.421 1003 F CB -0.067 38.952 39.000 0.031 0.000 1.114 1003 F HN 0.131 nan 8.300 nan 0.000 0.573 1004 L N -0.548 120.640 121.223 -0.058 0.000 3.135 1004 L HA 0.274 4.614 4.340 -0.000 0.000 0.279 1004 L C 0.644 177.484 176.870 -0.051 0.000 1.200 1004 L CA -0.205 54.612 54.840 -0.039 0.000 1.016 1004 L CB 0.191 42.183 42.059 -0.112 0.000 1.391 1004 L HN -0.078 nan 8.230 nan 0.000 0.588 1005 S N 0.510 116.182 115.700 -0.048 0.000 2.544 1005 S HA 0.268 4.738 4.470 -0.000 0.000 0.290 1005 S C 1.209 175.789 174.600 -0.034 0.000 1.276 1005 S CA 1.066 59.241 58.200 -0.042 0.000 1.075 1005 S CB 0.613 63.795 63.200 -0.029 0.000 0.849 1005 S HN 0.644 nan 8.310 nan 0.000 0.494 1006 G N 2.861 111.634 108.800 -0.045 0.000 2.175 1006 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.244 1006 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.244 1006 G C -0.139 174.708 174.900 -0.088 0.000 0.982 1006 G CA -0.248 44.818 45.100 -0.057 0.000 0.641 1006 G HN 0.531 nan 8.290 nan 0.000 0.527 1007 K N 0.562 120.911 120.400 -0.086 0.000 2.183 1007 K HA 0.574 4.894 4.320 -0.000 0.000 0.274 1007 K C 0.209 176.707 176.600 -0.171 0.000 1.009 1007 K CA -0.569 55.653 56.287 -0.110 0.000 0.888 1007 K CB 1.425 33.889 32.500 -0.061 0.000 1.078 1007 K HN 0.298 nan 8.250 nan 0.000 0.459 1008 R N 2.759 123.077 120.500 -0.303 0.000 2.288 1008 R HA 0.457 4.797 4.340 -0.000 0.000 0.326 1008 R C -0.255 175.862 176.300 -0.305 0.000 0.959 1008 R CA -0.426 55.279 56.100 -0.659 0.000 0.834 1008 R CB 0.879 30.329 30.300 -1.416 0.000 1.157 1008 R HN 0.402 nan 8.270 nan 0.000 0.470 1009 I N 3.990 124.570 120.570 0.016 0.000 2.530 1009 I HA 0.303 4.473 4.170 -0.000 0.000 0.297 1009 I C -0.682 175.677 176.117 0.403 0.000 1.011 1009 I CA -1.128 60.321 61.300 0.248 0.000 1.107 1009 I CB 1.824 39.903 38.000 0.132 0.000 1.285 1009 I HN 0.405 nan 8.210 nan 0.000 0.436 1010 L N 7.153 128.629 121.223 0.423 0.000 2.272 1010 L HA 0.521 4.861 4.340 -0.000 0.000 0.289 1010 L C -0.713 176.249 176.870 0.154 0.000 1.032 1010 L CA -0.219 54.758 54.840 0.227 0.000 0.810 1010 L CB 1.370 43.562 42.059 0.220 0.000 1.205 1010 L HN 0.295 nan 8.230 nan 0.000 0.422 1011 V N 4.302 124.174 119.914 -0.070 0.000 2.417 1011 V HA 0.640 4.760 4.120 -0.000 0.000 0.291 1011 V C 0.368 176.480 176.094 0.030 0.000 1.024 1011 V CA -0.224 62.058 62.300 -0.031 0.000 0.861 1011 V CB 1.596 33.313 31.823 -0.177 0.000 0.985 1011 V HN 0.931 nan 8.190 nan 0.000 0.436 1012 T N 0.379 114.984 114.554 0.085 0.000 2.949 1012 T HA 0.694 5.044 4.350 -0.000 0.000 0.287 1012 T C 0.846 175.588 174.700 0.071 0.000 1.034 1012 T CA 0.043 62.178 62.100 0.058 0.000 1.018 1012 T CB 1.684 70.559 68.868 0.011 0.000 1.135 1012 T HN 1.845 nan 8.240 nan 0.000 0.532 1013 G N -0.023 108.808 108.800 0.052 0.000 2.147 1013 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 1013 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 1013 G C 0.002 174.960 174.900 0.097 0.000 1.005 1013 G CA -0.053 45.076 45.100 0.048 0.000 0.713 1013 G HN 1.192 nan 8.290 nan 0.000 0.515 1014 V N 0.563 120.574 119.914 0.163 0.000 2.356 1014 V HA 0.554 4.674 4.120 -0.000 0.000 0.258 1014 V C 1.287 177.486 176.094 0.173 0.000 1.065 1014 V CA 0.748 63.164 62.300 0.194 0.000 0.935 1014 V CB 0.685 32.684 31.823 0.293 0.000 1.061 1014 V HN 0.785 nan 8.190 nan 0.000 0.484 1015 A N 4.203 127.095 122.820 0.120 0.000 2.140 1015 A HA 0.519 4.839 4.320 -0.000 0.000 0.209 1015 A C 0.947 178.600 177.584 0.114 0.000 1.181 1015 A CA 0.752 52.846 52.037 0.094 0.000 0.824 1015 A CB 0.284 19.312 19.000 0.047 0.000 0.879 1015 A HN 0.954 nan 8.150 nan 0.000 0.480 1016 S N -2.341 113.421 115.700 0.104 0.000 2.655 1016 S HA 0.339 4.809 4.470 -0.000 0.000 0.266 1016 S C 0.001 174.448 174.600 -0.256 0.000 1.149 1016 S CA -0.295 57.957 58.200 0.087 0.000 0.818 1016 S CB 0.651 63.863 63.200 0.019 0.000 1.130 1016 S HN 0.024 nan 8.310 nan 0.000 0.476 1017 K N -0.595 119.568 120.400 -0.396 0.000 2.515 1017 K HA 0.133 4.453 4.320 -0.000 0.000 0.196 1017 K C 0.561 176.896 176.600 -0.443 0.000 1.038 1017 K CA 0.547 56.207 56.287 -1.044 0.000 0.967 1017 K CB -0.425 31.717 32.500 -0.597 0.000 0.780 1017 K HN 0.441 nan 8.250 nan 0.000 0.483 1018 L N 0.066 121.183 121.223 -0.177 0.000 2.513 1018 L HA 0.104 4.444 4.340 -0.000 0.000 0.222 1018 L C 0.463 177.343 176.870 0.016 0.000 1.096 1018 L CA 0.733 55.550 54.840 -0.038 0.000 0.857 1018 L CB 0.081 42.123 42.059 -0.028 0.000 1.026 1018 L HN -0.182 nan 8.230 nan 0.000 0.469 1019 S N 0.142 115.850 115.700 0.014 0.000 2.552 1019 S HA 0.037 4.507 4.470 -0.000 0.000 0.289 1019 S C 1.862 176.520 174.600 0.097 0.000 1.304 1019 S CA -0.141 58.093 58.200 0.057 0.000 1.063 1019 S CB 0.523 63.767 63.200 0.073 0.000 0.848 1019 S HN 0.149 nan 8.310 nan 0.000 0.499 1020 I N 2.299 122.908 120.570 0.065 0.000 2.208 1020 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 1020 I C 2.516 178.671 176.117 0.064 0.000 1.097 1020 I CA 1.467 62.804 61.300 0.062 0.000 1.363 1020 I CB -0.548 37.480 38.000 0.047 0.000 1.051 1020 I HN 0.799 nan 8.210 nan 0.000 0.413 1021 A N 0.013 122.878 122.820 0.075 0.000 1.978 1021 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 1021 A C 2.248 179.878 177.584 0.077 0.000 1.170 1021 A CA 1.551 53.639 52.037 0.085 0.000 0.636 1021 A CB -0.897 18.167 19.000 0.106 0.000 0.810 1021 A HN 0.542 nan 8.150 nan 0.000 0.448 1022 Y N 0.589 120.874 120.300 -0.026 0.000 2.133 1022 Y HA 0.006 4.556 4.550 -0.000 0.000 0.287 1022 Y C 2.458 178.316 175.900 -0.069 0.000 1.134 1022 Y CA 1.494 59.523 58.100 -0.118 0.000 1.133 1022 Y CB -0.829 37.458 38.460 -0.289 0.000 0.987 1022 Y HN 0.214 nan 8.280 nan 0.000 0.502 1023 G N 0.233 108.957 108.800 -0.126 0.000 2.448 1023 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 1023 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 1023 G C 1.708 176.545 174.900 -0.105 0.000 1.127 1023 G CA 1.185 46.212 45.100 -0.121 0.000 0.766 1023 G HN 0.502 nan 8.290 nan 0.000 0.552 1024 I N 1.054 121.591 120.570 -0.055 0.000 2.233 1024 I HA -0.089 4.081 4.170 -0.000 0.000 0.243 1024 I C 3.267 179.366 176.117 -0.031 0.000 1.093 1024 I CA 0.857 62.151 61.300 -0.011 0.000 1.380 1024 I CB -0.186 37.833 38.000 0.031 0.000 1.067 1024 I HN 0.227 nan 8.210 nan 0.000 0.413 1025 A N 0.147 122.936 122.820 -0.053 0.000 1.908 1025 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 1025 A C 2.247 179.813 177.584 -0.030 0.000 1.181 1025 A CA 1.657 53.690 52.037 -0.008 0.000 0.627 1025 A CB -0.647 18.427 19.000 0.123 0.000 0.818 1025 A HN 0.471 nan 8.150 nan 0.000 0.445 1026 Q N -0.857 118.832 119.800 -0.184 0.000 2.050 1026 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 1026 Q C 2.481 178.473 176.000 -0.014 0.000 0.980 1026 Q CA 1.472 57.196 55.803 -0.131 0.000 0.840 1026 Q CB -0.364 28.223 28.738 -0.252 0.000 0.898 1026 Q HN 0.704 nan 8.270 nan 0.000 0.424 1027 A N 0.800 123.598 122.820 -0.037 0.000 1.873 1027 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 1027 A C 2.059 179.603 177.584 -0.067 0.000 1.186 1027 A CA 1.299 53.316 52.037 -0.033 0.000 0.616 1027 A CB -0.489 18.509 19.000 -0.002 0.000 0.823 1027 A HN 0.287 nan 8.150 nan 0.000 0.442 1028 M N -1.530 118.051 119.600 -0.033 0.000 2.213 1028 M HA -0.162 4.318 4.480 -0.000 0.000 0.263 1028 M C 2.136 178.418 176.300 -0.029 0.000 1.062 1028 M CA 1.952 57.222 55.300 -0.050 0.000 1.105 1028 M CB -0.588 32.013 32.600 0.002 0.000 1.385 1028 M HN 0.723 nan 8.290 nan 0.000 0.417 1029 H N 0.382 119.419 119.070 -0.055 0.000 2.403 1029 H HA -0.002 4.554 4.556 -0.000 0.000 0.298 1029 H C 2.132 177.429 175.328 -0.050 0.000 1.059 1029 H CA 1.469 57.504 56.048 -0.022 0.000 1.363 1029 H CB 0.053 29.827 29.762 0.019 0.000 1.410 1029 H HN 0.175 nan 8.280 nan 0.000 0.528 1030 R N 0.335 120.770 120.500 -0.109 0.000 2.189 1030 R HA -0.066 4.274 4.340 -0.000 0.000 0.223 1030 R C 0.572 176.736 176.300 -0.226 0.000 1.092 1030 R CA 1.196 57.200 56.100 -0.159 0.000 0.989 1030 R CB 0.227 30.485 30.300 -0.070 0.000 0.876 1030 R HN 0.338 nan 8.270 nan 0.000 0.457 1031 E N -0.750 119.274 120.200 -0.293 0.000 2.444 1031 E HA 0.104 4.454 4.350 -0.000 0.000 0.191 1031 E C 0.709 177.136 176.600 -0.288 0.000 1.041 1031 E CA 0.558 56.712 56.400 -0.410 0.000 0.883 1031 E CB 1.014 30.192 29.700 -0.870 0.000 1.024 1031 E HN 0.580 nan 8.360 nan 0.000 0.470 1032 G N 0.922 109.584 108.800 -0.231 0.000 2.175 1032 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 1032 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 1032 G C 0.579 175.418 174.900 -0.102 0.000 0.982 1032 G CA 0.081 45.084 45.100 -0.160 0.000 0.641 1032 G HN 0.512 nan 8.290 nan 0.000 0.527 1033 A N -0.055 122.713 122.820 -0.088 0.000 2.332 1033 A HA 0.654 4.974 4.320 -0.000 0.000 0.258 1033 A C 0.318 177.937 177.584 0.059 0.000 1.087 1033 A CA 0.117 52.139 52.037 -0.025 0.000 0.802 1033 A CB 0.411 19.399 19.000 -0.019 0.000 1.042 1033 A HN 0.419 nan 8.150 nan 0.000 0.489 1034 E N 0.467 120.715 120.200 0.080 0.000 2.175 1034 E HA 0.511 4.861 4.350 -0.000 0.000 0.278 1034 E C -1.115 175.700 176.600 0.358 0.000 0.969 1034 E CA -0.190 56.347 56.400 0.228 0.000 0.796 1034 E CB 1.280 31.116 29.700 0.226 0.000 1.104 1034 E HN 0.539 nan 8.360 nan 0.000 0.395 1035 L N 1.438 122.883 121.223 0.369 0.000 2.322 1035 L HA 0.796 5.136 4.340 -0.000 0.000 0.269 1035 L C -0.336 176.546 176.870 0.020 0.000 1.012 1035 L CA -0.985 53.979 54.840 0.207 0.000 0.815 1035 L CB 1.727 43.678 42.059 -0.179 0.000 1.295 1035 L HN 0.490 nan 8.230 nan 0.000 0.438 1036 A N 1.237 123.879 122.820 -0.297 0.000 2.393 1036 A HA 0.848 5.168 4.320 -0.000 0.000 0.306 1036 A C -1.405 175.887 177.584 -0.487 0.000 1.050 1036 A CA -0.319 51.409 52.037 -0.515 0.000 0.724 1036 A CB 0.878 19.341 19.000 -0.895 0.000 1.248 1036 A HN 0.446 nan 8.150 nan 0.000 0.424 1037 F N 0.799 120.686 119.950 -0.106 0.000 2.522 1037 F HA 0.707 5.234 4.527 -0.000 0.000 0.324 1037 F C 0.963 176.712 175.800 -0.084 0.000 1.077 1037 F CA -0.154 57.825 58.000 -0.034 0.000 0.944 1037 F CB 2.687 41.712 39.000 0.042 0.000 1.175 1037 F HN 0.622 nan 8.300 nan 0.000 0.468 1038 T N -0.621 113.994 114.554 0.101 0.000 2.924 1038 T HA 0.739 5.089 4.350 -0.000 0.000 0.291 1038 T C -1.300 173.414 174.700 0.024 0.000 1.045 1038 T CA -0.741 61.303 62.100 -0.093 0.000 1.015 1038 T CB 1.647 70.389 68.868 -0.210 0.000 1.103 1038 T HN 0.555 nan 8.240 nan 0.000 0.496 1039 Y N -0.403 119.892 120.300 -0.009 0.000 2.477 1039 Y HA 0.542 5.092 4.550 -0.000 0.000 0.347 1039 Y C 1.295 177.171 175.900 -0.039 0.000 0.981 1039 Y CA -1.312 56.783 58.100 -0.009 0.000 1.033 1039 Y CB 1.813 40.264 38.460 -0.014 0.000 1.245 1039 Y HN 0.764 nan 8.280 nan 0.000 0.455 1040 Q N 2.272 122.136 119.800 0.107 0.000 2.050 1040 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 1040 Q C -0.544 175.499 176.000 0.073 0.000 0.980 1040 Q CA 2.155 57.970 55.803 0.021 0.000 0.840 1040 Q CB 0.143 28.878 28.738 -0.004 0.000 0.898 1040 Q HN 0.969 nan 8.270 nan 0.000 0.424 1041 N N -1.894 116.922 118.700 0.194 0.000 3.316 1041 N HA 0.111 4.851 4.740 -0.000 0.000 0.300 1041 N C -0.527 175.069 175.510 0.143 0.000 1.567 1041 N CA -0.261 52.878 53.050 0.148 0.000 0.821 1041 N CB -0.038 38.468 38.487 0.032 0.000 1.748 1041 N HN -0.231 nan 8.380 nan 0.000 0.603 1042 D N -0.356 120.066 120.400 0.036 0.000 2.144 1042 D HA -0.124 4.516 4.640 -0.000 0.000 0.200 1042 D C 1.291 177.531 176.300 -0.101 0.000 0.978 1042 D CA 1.153 55.119 54.000 -0.058 0.000 0.833 1042 D CB 0.055 40.832 40.800 -0.038 0.000 0.961 1042 D HN 0.649 nan 8.370 nan 0.000 0.470 1043 K N 0.672 121.034 120.400 -0.063 0.000 2.097 1043 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 1043 K C 1.971 178.517 176.600 -0.091 0.000 1.049 1043 K CA 0.839 57.085 56.287 -0.070 0.000 0.933 1043 K CB 0.032 32.504 32.500 -0.047 0.000 0.717 1043 K HN 0.121 nan 8.250 nan 0.000 0.442 1044 L N 0.303 121.479 121.223 -0.078 0.000 2.416 1044 L HA 0.024 4.364 4.340 -0.000 0.000 0.216 1044 L C 2.368 179.117 176.870 -0.201 0.000 1.098 1044 L CA 0.251 55.044 54.840 -0.078 0.000 0.840 1044 L CB -0.374 41.699 42.059 0.024 0.000 0.981 1044 L HN 0.230 nan 8.230 nan 0.000 0.462 1045 K N 1.387 121.521 120.400 -0.443 0.000 1.998 1045 K HA -0.255 4.065 4.320 -0.000 0.000 0.228 1045 K C 1.953 178.244 176.600 -0.515 0.000 1.053 1045 K CA 2.319 58.057 56.287 -0.915 0.000 0.988 1045 K CB -0.555 31.313 32.500 -1.054 0.000 0.735 1045 K HN 0.286 nan 8.250 nan 0.000 0.448 1046 G N 0.337 108.920 108.800 -0.362 0.000 2.462 1046 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.220 1046 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.220 1046 G C 1.543 176.273 174.900 -0.282 0.000 1.121 1046 G CA 1.187 46.121 45.100 -0.275 0.000 0.758 1046 G HN 0.383 nan 8.290 nan 0.000 0.559 1047 R N 0.172 120.506 120.500 -0.277 0.000 2.066 1047 R HA 0.015 4.355 4.340 -0.000 0.000 0.232 1047 R C 2.520 178.599 176.300 -0.368 0.000 1.131 1047 R CA 1.535 57.425 56.100 -0.349 0.000 0.955 1047 R CB -0.764 29.404 30.300 -0.219 0.000 0.851 1047 R HN 0.184 nan 8.270 nan 0.000 0.432 1048 V N 1.388 121.203 119.914 -0.166 0.000 2.427 1048 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 1048 V C 1.984 177.972 176.094 -0.176 0.000 1.051 1048 V CA 2.119 64.389 62.300 -0.050 0.000 1.048 1048 V CB -0.531 31.354 31.823 0.103 0.000 0.666 1048 V HN 0.425 nan 8.190 nan 0.000 0.456 1049 E N 0.161 120.244 120.200 -0.195 0.000 2.110 1049 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 1049 E C 2.179 178.650 176.600 -0.214 0.000 0.988 1049 E CA 1.453 57.746 56.400 -0.178 0.000 0.804 1049 E CB -0.135 29.468 29.700 -0.161 0.000 0.745 1049 E HN 0.723 nan 8.360 nan 0.000 0.458 1050 E N 0.366 120.390 120.200 -0.292 0.000 2.031 1050 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 1050 E C 1.927 178.387 176.600 -0.233 0.000 0.994 1050 E CA 1.048 57.264 56.400 -0.307 0.000 0.800 1050 E CB -0.211 29.208 29.700 -0.468 0.000 0.752 1050 E HN 0.163 nan 8.360 nan 0.000 0.447 1051 F N 1.216 121.043 119.950 -0.205 0.000 2.095 1051 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 1051 F C 2.478 178.039 175.800 -0.400 0.000 1.104 1051 F CA 1.000 58.876 58.000 -0.207 0.000 1.232 1051 F CB -1.207 37.710 39.000 -0.138 0.000 0.987 1051 F HN 0.009 nan 8.300 nan 0.000 0.475 1052 A N 0.327 122.859 122.820 -0.480 0.000 1.859 1052 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 1052 A C 2.508 180.005 177.584 -0.146 0.000 1.198 1052 A CA 2.529 54.225 52.037 -0.568 0.000 0.629 1052 A CB -1.487 17.273 19.000 -0.400 0.000 0.830 1052 A HN 0.332 nan 8.150 nan 0.000 0.446 1053 A N -0.912 121.842 122.820 -0.110 0.000 1.917 1053 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 1053 A C 2.119 179.682 177.584 -0.035 0.000 1.182 1053 A CA 1.980 53.987 52.037 -0.049 0.000 0.633 1053 A CB -0.674 18.289 19.000 -0.060 0.000 0.819 1053 A HN 0.714 nan 8.150 nan 0.000 0.448 1054 Q N -0.713 119.064 119.800 -0.039 0.000 2.119 1054 Q HA 0.037 4.377 4.340 -0.000 0.000 0.201 1054 Q C 1.049 176.976 176.000 -0.122 0.000 0.972 1054 Q CA 0.942 56.732 55.803 -0.022 0.000 0.847 1054 Q CB -0.207 28.566 28.738 0.058 0.000 0.903 1054 Q HN 0.657 nan 8.270 nan 0.000 0.433 1055 L N 0.192 121.308 121.223 -0.178 0.000 2.737 1055 L HA 0.237 4.577 4.340 -0.000 0.000 0.236 1055 L C 0.820 177.553 176.870 -0.228 0.000 1.219 1055 L CA -0.007 54.544 54.840 -0.481 0.000 1.021 1055 L CB -0.447 41.520 42.059 -0.153 0.000 1.291 1055 L HN 0.334 nan 8.230 nan 0.000 0.470 1056 G N 0.102 108.871 108.800 -0.052 0.000 2.212 1056 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.267 1056 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.267 1056 G C 0.339 175.325 174.900 0.143 0.000 1.002 1056 G CA 0.773 45.932 45.100 0.100 0.000 0.729 1056 G HN 0.454 nan 8.290 nan 0.000 0.517 1057 S N 0.030 115.827 115.700 0.162 0.000 2.509 1057 S HA 0.564 5.034 4.470 -0.000 0.000 0.297 1057 S C 0.501 175.169 174.600 0.113 0.000 1.118 1057 S CA 0.145 58.465 58.200 0.200 0.000 1.074 1057 S CB 1.317 64.758 63.200 0.402 0.000 1.038 1057 S HN 0.476 nan 8.310 nan 0.000 0.498 1058 D N 3.618 124.058 120.400 0.068 0.000 2.599 1058 D HA 0.131 4.771 4.640 -0.000 0.000 0.249 1058 D C -0.304 175.988 176.300 -0.012 0.000 1.313 1058 D CA -0.111 53.902 54.000 0.022 0.000 0.815 1058 D CB -0.156 40.652 40.800 0.012 0.000 1.077 1058 D HN 0.471 nan 8.370 nan 0.000 0.492 1059 I N 1.438 121.993 120.570 -0.026 0.000 2.361 1059 I HA 0.232 4.402 4.170 -0.000 0.000 0.282 1059 I C -0.758 175.343 176.117 -0.027 0.000 1.075 1059 I CA -0.782 60.437 61.300 -0.134 0.000 1.205 1059 I CB 1.645 39.400 38.000 -0.407 0.000 1.406 1059 I HN -0.222 nan 8.210 nan 0.000 0.481 1060 V N 7.385 127.311 119.914 0.020 0.000 2.376 1060 V HA 0.490 4.610 4.120 -0.000 0.000 0.287 1060 V C -0.088 176.045 176.094 0.064 0.000 1.015 1060 V CA -0.430 61.941 62.300 0.118 0.000 0.834 1060 V CB 1.675 33.597 31.823 0.165 0.000 1.001 1060 V HN 0.464 nan 8.190 nan 0.000 0.428 1061 L N 3.895 125.058 121.223 -0.100 0.000 2.341 1061 L HA 0.693 5.033 4.340 -0.000 0.000 0.267 1061 L C -0.114 176.349 176.870 -0.679 0.000 1.009 1061 L CA -0.947 53.728 54.840 -0.273 0.000 0.819 1061 L CB 2.002 43.890 42.059 -0.284 0.000 1.323 1061 L HN 0.714 nan 8.230 nan 0.000 0.425 1062 Q N 1.200 120.508 119.800 -0.819 0.000 2.299 1062 Q HA 0.512 4.852 4.340 -0.000 0.000 0.246 1062 Q C -0.925 174.743 176.000 -0.552 0.000 0.935 1062 Q CA -0.238 54.916 55.803 -1.083 0.000 0.887 1062 Q CB 1.778 30.152 28.738 -0.607 0.000 1.223 1062 Q HN 0.634 nan 8.270 nan 0.000 0.439 1063 C N 3.745 122.779 119.300 -0.443 0.000 2.928 1063 C HA 0.377 4.837 4.460 -0.000 0.000 0.396 1063 C C -1.954 172.928 174.990 -0.181 0.000 1.052 1063 C CA -0.668 58.178 59.018 -0.285 0.000 1.251 1063 C CB 0.842 28.390 27.740 -0.319 0.000 1.684 1063 C HN 0.999 nan 8.230 nan 0.000 0.501 1064 D N 3.197 123.522 120.400 -0.125 0.000 2.427 1064 D HA 0.305 4.945 4.640 -0.000 0.000 0.226 1064 D C 1.175 177.451 176.300 -0.041 0.000 1.076 1064 D CA -0.317 53.638 54.000 -0.076 0.000 0.849 1064 D CB 1.587 42.350 40.800 -0.061 0.000 1.052 1064 D HN 0.600 nan 8.370 nan 0.000 0.515 1065 V N 2.217 122.121 119.914 -0.017 0.000 3.383 1065 V HA 0.049 4.169 4.120 -0.000 0.000 0.272 1065 V C 1.576 177.725 176.094 0.092 0.000 1.181 1065 V CA 1.360 63.687 62.300 0.045 0.000 1.171 1065 V CB -0.901 30.978 31.823 0.093 0.000 0.800 1065 V HN 0.474 nan 8.190 nan 0.000 0.515 1066 A N -0.052 122.802 122.820 0.056 0.000 2.132 1066 A HA 0.184 4.504 4.320 -0.000 0.000 0.213 1066 A C 0.995 178.616 177.584 0.062 0.000 1.154 1066 A CA 0.320 52.399 52.037 0.070 0.000 0.753 1066 A CB -0.057 18.960 19.000 0.029 0.000 0.826 1066 A HN 0.636 nan 8.150 nan 0.000 0.469 1067 E N 0.624 120.850 120.200 0.043 0.000 2.165 1067 E HA 0.215 4.565 4.350 -0.000 0.000 0.266 1067 E C -0.776 175.855 176.600 0.051 0.000 0.889 1067 E CA -0.610 55.812 56.400 0.037 0.000 0.756 1067 E CB 1.307 31.012 29.700 0.009 0.000 1.131 1067 E HN 0.139 nan 8.360 nan 0.000 0.411 1068 D N 2.540 122.983 120.400 0.071 0.000 2.104 1068 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 1068 D C 1.696 178.031 176.300 0.057 0.000 0.994 1068 D CA 1.763 55.815 54.000 0.086 0.000 0.830 1068 D CB 0.021 40.876 40.800 0.093 0.000 0.959 1068 D HN 0.581 nan 8.370 nan 0.000 0.452 1069 A N 0.514 123.357 122.820 0.038 0.000 1.986 1069 A HA -0.208 4.111 4.320 -0.000 0.000 0.220 1069 A C 2.327 179.913 177.584 0.004 0.000 1.171 1069 A CA 2.206 54.258 52.037 0.024 0.000 0.640 1069 A CB -0.587 18.422 19.000 0.015 0.000 0.811 1069 A HN 0.244 nan 8.150 nan 0.000 0.451 1070 S N -0.751 114.943 115.700 -0.011 0.000 2.395 1070 S HA -0.016 4.454 4.470 -0.000 0.000 0.225 1070 S C 1.869 176.422 174.600 -0.079 0.000 1.027 1070 S CA 0.995 59.163 58.200 -0.052 0.000 0.965 1070 S CB -0.451 62.713 63.200 -0.061 0.000 0.812 1070 S HN 0.512 nan 8.310 nan 0.000 0.482 1071 I N 1.473 122.021 120.570 -0.036 0.000 2.252 1071 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 1071 I C 1.987 178.132 176.117 0.048 0.000 1.102 1071 I CA 1.223 62.501 61.300 -0.038 0.000 1.385 1071 I CB -0.486 37.550 38.000 0.059 0.000 1.064 1071 I HN 0.246 nan 8.210 nan 0.000 0.414 1072 D N 0.594 121.047 120.400 0.088 0.000 2.117 1072 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 1072 D C 2.216 178.567 176.300 0.084 0.000 0.982 1072 D CA 1.463 55.539 54.000 0.127 0.000 0.828 1072 D CB -0.290 40.563 40.800 0.090 0.000 0.967 1072 D HN 0.241 nan 8.370 nan 0.000 0.464 1073 T N 1.135 115.697 114.554 0.013 0.000 2.857 1073 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 1073 T C 1.812 176.475 174.700 -0.061 0.000 1.048 1073 T CA 0.582 62.673 62.100 -0.015 0.000 1.139 1073 T CB -0.067 68.781 68.868 -0.032 0.000 0.874 1073 T HN 0.084 nan 8.240 nan 0.000 0.455 1074 M N 0.634 120.143 119.600 -0.152 0.000 2.108 1074 M HA -0.074 4.406 4.480 -0.000 0.000 0.261 1074 M C 1.591 177.733 176.300 -0.263 0.000 1.066 1074 M CA 1.800 56.930 55.300 -0.285 0.000 1.107 1074 M CB -0.821 31.501 32.600 -0.463 0.000 1.356 1074 M HN 0.223 nan 8.290 nan 0.000 0.406 1075 F N 0.539 120.447 119.950 -0.070 0.000 2.234 1075 F HA -0.017 4.510 4.527 -0.000 0.000 0.299 1075 F C 2.659 178.450 175.800 -0.015 0.000 1.087 1075 F CA 1.269 59.246 58.000 -0.039 0.000 1.340 1075 F CB -1.302 37.707 39.000 0.015 0.000 1.031 1075 F HN 0.265 nan 8.300 nan 0.000 0.500 1076 A N -0.447 122.465 122.820 0.153 0.000 1.902 1076 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 1076 A C 2.116 179.729 177.584 0.047 0.000 1.181 1076 A CA 1.763 53.856 52.037 0.093 0.000 0.623 1076 A CB -0.637 18.399 19.000 0.060 0.000 0.818 1076 A HN 0.250 nan 8.150 nan 0.000 0.443 1077 E N -0.537 119.662 120.200 -0.001 0.000 2.106 1077 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 1077 E C 1.812 178.380 176.600 -0.054 0.000 0.984 1077 E CA 0.869 57.245 56.400 -0.040 0.000 0.806 1077 E CB -0.334 29.317 29.700 -0.082 0.000 0.750 1077 E HN 0.452 nan 8.360 nan 0.000 0.458 1078 L N -0.267 120.920 121.223 -0.059 0.000 2.056 1078 L HA 0.020 4.360 4.340 -0.000 0.000 0.207 1078 L C 2.141 179.029 176.870 0.030 0.000 1.078 1078 L CA 2.187 56.972 54.840 -0.091 0.000 0.749 1078 L CB -1.037 40.962 42.059 -0.100 0.000 0.901 1078 L HN 0.230 nan 8.230 nan 0.000 0.433 1079 G N -0.553 108.316 108.800 0.116 0.000 2.503 1079 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.221 1079 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.221 1079 G C 1.643 176.615 174.900 0.120 0.000 1.131 1079 G CA 1.104 46.297 45.100 0.155 0.000 0.756 1079 G HN 0.454 nan 8.290 nan 0.000 0.572 1080 K N -0.558 119.881 120.400 0.066 0.000 2.281 1080 K HA 0.018 4.338 4.320 -0.000 0.000 0.203 1080 K C 2.176 178.812 176.600 0.059 0.000 1.046 1080 K CA 1.113 57.430 56.287 0.049 0.000 0.938 1080 K CB -0.054 32.455 32.500 0.016 0.000 0.737 1080 K HN 0.312 nan 8.250 nan 0.000 0.458 1081 V N -1.221 118.726 119.914 0.056 0.000 3.090 1081 V HA 0.079 4.199 4.120 -0.000 0.000 0.237 1081 V C -0.819 175.480 176.094 0.342 0.000 1.209 1081 V CA 0.035 62.386 62.300 0.084 0.000 1.209 1081 V CB 0.440 32.197 31.823 -0.110 0.000 0.971 1081 V HN 0.268 nan 8.190 nan 0.000 0.477 1082 W N 1.336 122.660 121.300 0.040 0.000 2.286 1082 W HA 0.490 5.150 4.660 -0.000 0.000 0.296 1082 W C -2.148 174.454 176.519 0.137 0.000 0.911 1082 W CA -2.876 54.518 57.345 0.082 0.000 1.761 1082 W CB 0.081 29.564 29.460 0.038 0.000 1.820 1082 W HN 0.235 nan 8.180 nan 0.000 0.403 1083 P HA -0.173 nan 4.420 nan 0.000 0.216 1083 P C 0.329 177.778 177.300 0.247 0.000 1.150 1083 P CA 1.906 65.140 63.100 0.222 0.000 0.843 1083 P CB 0.509 32.296 31.700 0.146 0.000 0.787 1084 K N -0.901 119.648 120.400 0.248 0.000 2.464 1084 K HA 0.466 4.786 4.320 -0.000 0.000 0.253 1084 K C -0.723 176.024 176.600 0.244 0.000 0.933 1084 K CA -0.654 55.745 56.287 0.188 0.000 0.801 1084 K CB 2.397 34.920 32.500 0.038 0.000 1.271 1084 K HN -0.073 nan 8.250 nan 0.000 0.430 1085 F N -1.214 118.718 119.950 -0.029 0.000 2.824 1085 F HA 0.499 5.026 4.527 -0.000 0.000 0.330 1085 F C -0.338 175.397 175.800 -0.108 0.000 1.175 1085 F CA -1.131 56.781 58.000 -0.146 0.000 0.974 1085 F CB 0.782 39.751 39.000 -0.051 0.000 1.430 1085 F HN 0.278 nan 8.300 nan 0.000 0.507 1086 D N 0.453 120.762 120.400 -0.152 0.000 2.755 1086 D HA 0.459 5.099 4.640 -0.000 0.000 0.257 1086 D C 0.401 176.614 176.300 -0.145 0.000 1.291 1086 D CA 0.572 54.450 54.000 -0.203 0.000 0.836 1086 D CB 0.602 41.319 40.800 -0.138 0.000 1.059 1086 D HN 1.114 nan 8.370 nan 0.000 0.486 1087 G N 1.366 110.066 108.800 -0.167 0.000 2.479 1087 G HA2 0.103 4.063 3.960 -0.000 0.000 0.686 1087 G HA3 0.103 4.063 3.960 -0.000 0.000 0.686 1087 G C -1.036 174.081 174.900 0.362 0.000 1.295 1087 G CA -0.983 44.086 45.100 -0.051 0.000 0.922 1087 G HN 0.170 nan 8.290 nan 0.000 0.582 1088 F N -2.084 118.049 119.950 0.305 0.000 2.626 1088 F HA 0.828 5.355 4.527 -0.000 0.000 0.311 1088 F C -0.605 175.355 175.800 0.267 0.000 1.088 1088 F CA -1.783 56.416 58.000 0.330 0.000 0.949 1088 F CB 1.542 40.800 39.000 0.431 0.000 1.322 1088 F HN 0.565 nan 8.300 nan 0.000 0.461 1089 V N 2.380 122.602 119.914 0.514 0.000 2.347 1089 V HA 0.217 4.337 4.120 -0.000 0.000 0.280 1089 V C -0.472 175.915 176.094 0.488 0.000 1.021 1089 V CA -0.460 62.070 62.300 0.383 0.000 0.847 1089 V CB 0.741 32.687 31.823 0.204 0.000 0.990 1089 V HN 0.920 nan 8.190 nan 0.000 0.444 1090 H N 4.207 123.530 119.070 0.420 0.000 2.820 1090 H HA 0.330 4.886 4.556 -0.000 0.000 0.278 1090 H C -0.402 174.984 175.328 0.096 0.000 1.142 1090 H CA 0.002 56.234 56.048 0.307 0.000 1.346 1090 H CB 1.175 31.193 29.762 0.427 0.000 1.438 1090 H HN 0.578 nan 8.280 nan 0.000 0.473 1091 S N 7.263 122.893 115.700 -0.116 0.000 2.080 1091 S HA 0.392 4.862 4.470 -0.000 0.000 0.162 1091 S C -0.639 173.844 174.600 -0.195 0.000 1.618 1091 S CA -0.556 57.578 58.200 -0.111 0.000 1.200 1091 S CB -0.641 62.559 63.200 0.000 0.000 1.135 1091 S HN 0.614 nan 8.310 nan 0.000 0.455 1092 I N 1.864 122.203 120.570 -0.386 0.000 2.569 1092 I HA 0.658 4.828 4.170 -0.000 0.000 0.290 1092 I C 0.141 176.185 176.117 -0.120 0.000 1.088 1092 I CA -0.715 60.428 61.300 -0.263 0.000 1.047 1092 I CB 2.407 40.184 38.000 -0.372 0.000 1.237 1092 I HN 0.526 nan 8.210 nan 0.000 0.421 1093 G N 4.954 113.757 108.800 0.004 0.000 2.746 1093 G HA2 0.742 4.702 3.960 -0.000 0.000 0.297 1093 G HA3 0.742 4.702 3.960 -0.000 0.000 0.297 1093 G C -2.113 172.893 174.900 0.176 0.000 1.426 1093 G CA -0.430 44.711 45.100 0.068 0.000 0.989 1093 G HN 0.369 nan 8.290 nan 0.000 0.520 1094 F N 1.062 120.995 119.950 -0.027 0.000 2.654 1094 F HA 0.724 5.251 4.527 -0.000 0.000 0.314 1094 F C -1.087 174.694 175.800 -0.031 0.000 1.116 1094 F CA -0.535 57.450 58.000 -0.026 0.000 1.017 1094 F CB 1.717 40.712 39.000 -0.009 0.000 1.285 1094 F HN 1.031 nan 8.300 nan 0.000 0.448 1095 A N 5.757 127.917 122.820 -1.099 0.000 2.455 1095 A HA 0.829 5.149 4.320 -0.000 0.000 0.300 1095 A C -3.115 173.804 177.584 -1.107 0.000 1.040 1095 A CA -1.839 49.675 52.037 -0.872 0.000 0.697 1095 A CB 1.600 20.344 19.000 -0.426 0.000 1.265 1095 A HN 0.432 nan 8.150 nan 0.000 0.407 1096 P HA 0.143 nan 4.420 nan 0.000 0.266 1096 P C 1.381 178.552 177.300 -0.215 0.000 1.195 1096 P CA 0.770 63.655 63.100 -0.358 0.000 0.768 1096 P CB 0.805 32.442 31.700 -0.106 0.000 0.838 1097 G N 3.076 111.821 108.800 -0.092 0.000 2.547 1097 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.221 1097 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.221 1097 G C 1.047 175.922 174.900 -0.041 0.000 1.140 1097 G CA 1.072 46.143 45.100 -0.049 0.000 0.760 1097 G HN 0.627 nan 8.290 nan 0.000 0.583 1098 D N 0.159 120.542 120.400 -0.029 0.000 2.221 1098 D HA -0.142 4.497 4.640 -0.000 0.000 0.204 1098 D C 2.065 178.351 176.300 -0.024 0.000 0.982 1098 D CA 0.969 54.958 54.000 -0.019 0.000 0.857 1098 D CB -0.427 40.367 40.800 -0.011 0.000 0.934 1098 D HN 0.272 nan 8.370 nan 0.000 0.475 1099 Q N 0.111 119.882 119.800 -0.047 0.000 2.124 1099 Q HA 0.025 4.365 4.340 -0.000 0.000 0.202 1099 Q C 1.921 177.911 176.000 -0.016 0.000 0.977 1099 Q CA 0.395 56.175 55.803 -0.038 0.000 0.850 1099 Q CB -0.136 28.556 28.738 -0.077 0.000 0.901 1099 Q HN 0.396 nan 8.270 nan 0.000 0.429 1100 L N 2.481 123.683 121.223 -0.035 0.000 2.715 1100 L HA 0.088 4.428 4.340 -0.000 0.000 0.238 1100 L C -0.009 176.881 176.870 0.034 0.000 1.212 1100 L CA 0.474 55.310 54.840 -0.008 0.000 1.017 1100 L CB -0.821 41.215 42.059 -0.039 0.000 1.269 1100 L HN 0.229 nan 8.230 nan 0.000 0.452 1101 D N -1.646 118.778 120.400 0.040 0.000 2.927 1101 D HA 0.434 5.074 4.640 -0.000 0.000 0.219 1101 D C 0.167 176.498 176.300 0.052 0.000 1.248 1101 D CA 0.255 54.285 54.000 0.050 0.000 0.861 1101 D CB 2.434 43.255 40.800 0.036 0.000 1.677 1101 D HN 0.088 nan 8.370 nan 0.000 0.511 1102 G N 1.961 110.798 108.800 0.062 0.000 2.750 1102 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.228 1102 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.228 1102 G C -0.263 174.683 174.900 0.076 0.000 1.367 1102 G CA -0.193 44.942 45.100 0.058 0.000 0.871 1102 G HN 0.926 nan 8.290 nan 0.000 0.560 1103 D N -0.167 120.272 120.400 0.066 0.000 2.662 1103 D HA -0.041 4.599 4.640 -0.000 0.000 0.233 1103 D C 1.406 177.760 176.300 0.089 0.000 1.129 1103 D CA 0.720 54.769 54.000 0.081 0.000 0.851 1103 D CB 0.226 41.055 40.800 0.048 0.000 1.152 1103 D HN 0.575 nan 8.370 nan 0.000 0.507 1104 Y N 4.841 125.167 120.300 0.043 0.000 2.053 1104 Y HA -0.300 4.250 4.550 -0.000 0.000 0.277 1104 Y C 1.906 177.832 175.900 0.043 0.000 1.159 1104 Y CA 1.884 60.013 58.100 0.049 0.000 1.125 1104 Y CB -0.611 37.887 38.460 0.062 0.000 0.969 1104 Y HN 0.336 nan 8.280 nan 0.000 0.492 1105 V N 1.280 121.006 119.914 -0.313 0.000 2.392 1105 V HA -0.339 3.781 4.120 -0.000 0.000 0.249 1105 V C 2.130 178.075 176.094 -0.248 0.000 1.059 1105 V CA 2.242 64.322 62.300 -0.366 0.000 1.051 1105 V CB -0.786 30.982 31.823 -0.091 0.000 0.658 1105 V HN 0.474 nan 8.190 nan 0.000 0.455 1106 N N 0.290 118.909 118.700 -0.135 0.000 2.250 1106 N HA 0.004 4.744 4.740 -0.000 0.000 0.181 1106 N C 1.860 177.312 175.510 -0.097 0.000 1.017 1106 N CA 1.457 54.454 53.050 -0.088 0.000 0.866 1106 N CB -0.331 38.133 38.487 -0.039 0.000 0.985 1106 N HN 0.488 nan 8.380 nan 0.000 0.429 1107 A N 0.818 123.575 122.820 -0.105 0.000 1.929 1107 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 1107 A C 1.213 178.737 177.584 -0.100 0.000 1.176 1107 A CA 0.302 52.294 52.037 -0.074 0.000 0.628 1107 A CB -0.467 18.520 19.000 -0.021 0.000 0.816 1107 A HN 0.106 nan 8.150 nan 0.000 0.444 1108 V N 1.637 121.425 119.914 -0.210 0.000 2.740 1108 V HA 0.436 4.556 4.120 -0.000 0.000 0.303 1108 V C 0.518 176.554 176.094 -0.097 0.000 1.054 1108 V CA 0.858 63.062 62.300 -0.160 0.000 1.106 1108 V CB 1.005 32.629 31.823 -0.332 0.000 0.957 1108 V HN 0.731 nan 8.190 nan 0.000 0.486 1109 T N 3.087 117.630 114.554 -0.019 0.000 2.865 1109 T HA 0.426 4.776 4.350 -0.000 0.000 0.294 1109 T C 0.789 175.501 174.700 0.021 0.000 1.119 1109 T CA -0.493 61.596 62.100 -0.017 0.000 1.007 1109 T CB 1.533 70.398 68.868 -0.006 0.000 1.225 1109 T HN 0.578 nan 8.240 nan 0.000 0.515 1110 R N -0.039 120.455 120.500 -0.011 0.000 2.073 1110 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 1110 R C 2.064 178.415 176.300 0.084 0.000 1.134 1110 R CA 1.451 57.545 56.100 -0.010 0.000 0.952 1110 R CB -0.174 30.100 30.300 -0.044 0.000 0.850 1110 R HN 0.680 nan 8.270 nan 0.000 0.433 1111 E N -0.655 119.586 120.200 0.069 0.000 2.106 1111 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 1111 E C 1.809 178.477 176.600 0.114 0.000 0.984 1111 E CA 1.260 57.713 56.400 0.088 0.000 0.806 1111 E CB -0.218 29.519 29.700 0.061 0.000 0.750 1111 E HN 0.556 nan 8.360 nan 0.000 0.458 1112 G N 0.206 109.067 108.800 0.102 0.000 2.408 1112 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 1112 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 1112 G C 1.519 176.508 174.900 0.148 0.000 1.150 1112 G CA 0.493 45.641 45.100 0.080 0.000 0.776 1112 G HN 0.282 nan 8.290 nan 0.000 0.542 1113 F N 1.436 121.417 119.950 0.051 0.000 2.075 1113 F HA 0.037 4.564 4.527 -0.000 0.000 0.297 1113 F C 2.603 178.481 175.800 0.130 0.000 1.113 1113 F CA 1.931 59.998 58.000 0.111 0.000 1.218 1113 F CB -0.044 38.964 39.000 0.014 0.000 0.984 1113 F HN -0.046 nan 8.300 nan 0.000 0.472 1114 K N 1.189 121.799 120.400 0.349 0.000 2.001 1114 K HA -0.224 4.096 4.320 -0.000 0.000 0.214 1114 K C 2.174 178.857 176.600 0.139 0.000 1.050 1114 K CA 2.425 58.840 56.287 0.213 0.000 0.934 1114 K CB -0.942 31.659 32.500 0.169 0.000 0.718 1114 K HN 0.438 nan 8.250 nan 0.000 0.443 1115 I N 0.728 121.381 120.570 0.138 0.000 2.127 1115 I HA -0.293 3.877 4.170 -0.000 0.000 0.241 1115 I C 2.536 178.724 176.117 0.118 0.000 1.075 1115 I CA 1.348 62.737 61.300 0.148 0.000 1.334 1115 I CB -0.498 37.602 38.000 0.166 0.000 1.040 1115 I HN 0.171 nan 8.210 nan 0.000 0.405 1116 A N 0.299 123.137 122.820 0.029 0.000 1.917 1116 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 1116 A C 2.062 179.596 177.584 -0.082 0.000 1.182 1116 A CA 2.119 54.114 52.037 -0.071 0.000 0.633 1116 A CB -1.037 17.880 19.000 -0.140 0.000 0.819 1116 A HN 0.464 nan 8.150 nan 0.000 0.448 1117 H N -1.234 117.737 119.070 -0.165 0.000 2.395 1117 H HA -0.016 4.540 4.556 -0.000 0.000 0.299 1117 H C 1.931 177.280 175.328 0.034 0.000 1.070 1117 H CA 1.440 57.408 56.048 -0.132 0.000 1.356 1117 H CB -0.233 29.355 29.762 -0.289 0.000 1.401 1117 H HN 0.640 nan 8.280 nan 0.000 0.524 1118 D N 0.041 120.556 120.400 0.192 0.000 2.097 1118 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 1118 D C 1.779 178.233 176.300 0.257 0.000 0.989 1118 D CA 1.174 55.305 54.000 0.218 0.000 0.827 1118 D CB 0.023 40.916 40.800 0.155 0.000 0.966 1118 D HN 0.168 nan 8.370 nan 0.000 0.456 1119 I N -0.007 120.694 120.570 0.219 0.000 2.584 1119 I HA -0.040 4.130 4.170 -0.000 0.000 0.255 1119 I C 2.112 178.360 176.117 0.219 0.000 1.145 1119 I CA 0.701 62.138 61.300 0.228 0.000 1.462 1119 I CB -0.894 37.271 38.000 0.275 0.000 1.102 1119 I HN 0.007 nan 8.210 nan 0.000 0.433 1120 S N -0.176 115.617 115.700 0.155 0.000 2.458 1120 S HA -0.019 4.451 4.470 -0.000 0.000 0.223 1120 S C 2.031 176.726 174.600 0.158 0.000 1.019 1120 S CA 1.086 59.363 58.200 0.127 0.000 0.937 1120 S CB 0.341 63.541 63.200 0.001 0.000 0.788 1120 S HN 0.446 nan 8.310 nan 0.000 0.511 1121 S N -0.416 115.365 115.700 0.135 0.000 2.979 1121 S HA 0.149 4.619 4.470 -0.000 0.000 0.243 1121 S C 1.554 176.263 174.600 0.181 0.000 1.036 1121 S CA -0.244 58.039 58.200 0.138 0.000 0.846 1121 S CB -0.733 62.516 63.200 0.083 0.000 0.806 1121 S HN 0.411 nan 8.310 nan 0.000 0.568 1122 Y N 3.460 123.834 120.300 0.123 0.000 2.128 1122 Y HA -0.166 4.384 4.550 -0.000 0.000 0.284 1122 Y C 2.677 178.654 175.900 0.129 0.000 1.154 1122 Y CA 2.489 60.657 58.100 0.114 0.000 1.149 1122 Y CB -0.916 37.603 38.460 0.098 0.000 0.976 1122 Y HN 0.491 nan 8.280 nan 0.000 0.505 1123 S N -0.133 115.639 115.700 0.121 0.000 2.413 1123 S HA -0.319 4.151 4.470 -0.000 0.000 0.237 1123 S C 1.977 176.578 174.600 0.002 0.000 1.044 1123 S CA 1.464 59.730 58.200 0.111 0.000 1.024 1123 S CB -1.512 61.887 63.200 0.331 0.000 0.829 1123 S HN 0.503 nan 8.310 nan 0.000 0.475 1124 F N 2.065 121.805 119.950 -0.349 0.000 2.051 1124 F HA 0.019 4.546 4.527 -0.000 0.000 0.296 1124 F C 2.571 178.241 175.800 -0.216 0.000 1.122 1124 F CA 1.174 58.846 58.000 -0.547 0.000 1.201 1124 F CB -1.091 37.551 39.000 -0.596 0.000 0.978 1124 F HN 0.177 nan 8.300 nan 0.000 0.472 1125 V N 0.444 120.154 119.914 -0.341 0.000 2.515 1125 V HA -0.141 3.979 4.120 -0.000 0.000 0.250 1125 V C 2.464 178.341 176.094 -0.361 0.000 1.058 1125 V CA 1.676 63.744 62.300 -0.386 0.000 1.064 1125 V CB -0.906 30.746 31.823 -0.286 0.000 0.675 1125 V HN 0.442 nan 8.190 nan 0.000 0.461 1126 A N -0.592 121.906 122.820 -0.538 0.000 1.940 1126 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 1126 A C 2.197 179.739 177.584 -0.069 0.000 1.176 1126 A CA 2.357 54.206 52.037 -0.313 0.000 0.631 1126 A CB -0.450 18.392 19.000 -0.263 0.000 0.814 1126 A HN 0.567 nan 8.150 nan 0.000 0.446 1127 M N -1.039 118.527 119.600 -0.057 0.000 2.236 1127 M HA -0.051 4.429 4.480 -0.000 0.000 0.266 1127 M C 2.537 178.857 176.300 0.034 0.000 1.070 1127 M CA 1.189 56.512 55.300 0.039 0.000 1.137 1127 M CB -0.316 32.156 32.600 -0.214 0.000 1.378 1127 M HN 0.479 nan 8.290 nan 0.000 0.426 1128 A N 0.664 123.510 122.820 0.043 0.000 1.930 1128 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 1128 A C 2.082 179.629 177.584 -0.062 0.000 1.175 1128 A CA 1.538 53.610 52.037 0.058 0.000 0.627 1128 A CB -0.418 18.523 19.000 -0.098 0.000 0.815 1128 A HN 0.382 nan 8.150 nan 0.000 0.443 1129 K N -0.226 120.129 120.400 -0.075 0.000 2.002 1129 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 1129 K C 2.214 178.770 176.600 -0.073 0.000 1.048 1129 K CA 1.239 57.490 56.287 -0.060 0.000 0.930 1129 K CB -0.376 32.109 32.500 -0.026 0.000 0.714 1129 K HN 0.407 nan 8.250 nan 0.000 0.438 1130 A N 0.850 123.635 122.820 -0.059 0.000 2.131 1130 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 1130 A C 2.119 179.463 177.584 -0.400 0.000 1.158 1130 A CA 1.697 53.685 52.037 -0.081 0.000 0.665 1130 A CB -0.789 18.315 19.000 0.173 0.000 0.795 1130 A HN 0.666 nan 8.150 nan 0.000 0.460 1131 C N -3.967 115.008 119.300 -0.542 0.000 3.657 1131 C HA 0.515 4.975 4.460 -0.000 0.000 0.291 1131 C C 1.837 176.665 174.990 -0.270 0.000 1.572 1131 C CA -0.128 58.532 59.018 -0.598 0.000 1.818 1131 C CB -0.961 26.183 27.740 -0.993 0.000 2.903 1131 C HN 0.571 nan 8.230 nan 0.000 0.632 1132 R N 2.621 123.007 120.500 -0.190 0.000 2.153 1132 R HA -0.189 4.151 4.340 -0.000 0.000 0.252 1132 R C 2.158 178.376 176.300 -0.136 0.000 1.158 1132 R CA 2.414 58.428 56.100 -0.143 0.000 0.975 1132 R CB -0.059 30.179 30.300 -0.103 0.000 0.871 1132 R HN 0.803 nan 8.270 nan 0.000 0.450 1133 S N -1.138 114.495 115.700 -0.112 0.000 2.528 1133 S HA 0.002 4.472 4.470 -0.000 0.000 0.219 1133 S C 1.654 176.205 174.600 -0.081 0.000 0.985 1133 S CA 0.319 58.469 58.200 -0.083 0.000 0.914 1133 S CB 0.160 63.331 63.200 -0.049 0.000 0.776 1133 S HN 0.279 nan 8.310 nan 0.000 0.526 1134 M N 1.011 120.552 119.600 -0.097 0.000 2.556 1134 M HA 0.339 4.819 4.480 -0.000 0.000 0.245 1134 M C -0.173 175.971 176.300 -0.261 0.000 1.128 1134 M CA 0.252 55.521 55.300 -0.052 0.000 1.069 1134 M CB -0.140 32.568 32.600 0.180 0.000 1.469 1134 M HN 0.194 nan 8.290 nan 0.000 0.494 1135 L N 1.788 122.798 121.223 -0.354 0.000 2.319 1135 L HA 0.174 4.514 4.340 -0.000 0.000 0.280 1135 L C 0.153 176.862 176.870 -0.267 0.000 1.099 1135 L CA -0.452 54.122 54.840 -0.445 0.000 0.828 1135 L CB 0.154 41.974 42.059 -0.398 0.000 1.150 1135 L HN 0.164 nan 8.230 nan 0.000 0.442 1136 N N 3.729 122.275 118.700 -0.256 0.000 2.483 1136 N HA 0.314 5.054 4.740 -0.000 0.000 0.269 1136 N C -2.365 173.054 175.510 -0.151 0.000 1.209 1136 N CA -1.508 51.441 53.050 -0.167 0.000 0.969 1136 N CB 0.630 39.027 38.487 -0.149 0.000 1.173 1136 N HN 0.251 nan 8.380 nan 0.000 0.475 1137 P HA 0.154 nan 4.420 nan 0.000 0.271 1137 P C 0.578 177.815 177.300 -0.105 0.000 1.216 1137 P CA 0.476 63.515 63.100 -0.102 0.000 0.776 1137 P CB 0.549 32.202 31.700 -0.079 0.000 0.881 1138 G N 1.077 109.813 108.800 -0.106 0.000 2.176 1138 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.232 1138 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.232 1138 G C 0.483 175.310 174.900 -0.122 0.000 0.986 1138 G CA -0.194 44.845 45.100 -0.103 0.000 0.643 1138 G HN 0.571 nan 8.290 nan 0.000 0.522 1139 S N 0.381 115.992 115.700 -0.149 0.000 2.572 1139 S HA 0.655 5.125 4.470 -0.000 0.000 0.279 1139 S C 0.529 175.026 174.600 -0.170 0.000 1.341 1139 S CA 0.607 58.699 58.200 -0.180 0.000 1.043 1139 S CB 1.299 64.352 63.200 -0.246 0.000 0.887 1139 S HN 1.668 nan 8.310 nan 0.000 0.516 1140 A N 3.139 125.858 122.820 -0.169 0.000 2.393 1140 A HA 0.751 5.071 4.320 -0.000 0.000 0.306 1140 A C -1.093 176.365 177.584 -0.211 0.000 1.050 1140 A CA -0.694 51.247 52.037 -0.161 0.000 0.724 1140 A CB 0.816 19.744 19.000 -0.121 0.000 1.248 1140 A HN 0.736 nan 8.150 nan 0.000 0.424 1141 L N 2.023 123.108 121.223 -0.231 0.000 2.334 1141 L HA 0.737 5.077 4.340 -0.000 0.000 0.276 1141 L C -0.922 175.937 176.870 -0.019 0.000 1.014 1141 L CA -0.886 53.753 54.840 -0.334 0.000 0.815 1141 L CB 1.762 43.497 42.059 -0.540 0.000 1.268 1141 L HN 0.693 nan 8.230 nan 0.000 0.428 1142 L N 1.622 122.898 121.223 0.088 0.000 2.409 1142 L HA 0.789 5.129 4.340 -0.000 0.000 0.262 1142 L C -0.562 176.361 176.870 0.089 0.000 0.992 1142 L CA 0.213 55.126 54.840 0.122 0.000 0.817 1142 L CB 2.482 44.585 42.059 0.073 0.000 1.350 1142 L HN 0.618 nan 8.230 nan 0.000 0.411 1143 T N 2.980 117.452 114.554 -0.137 0.000 2.841 1143 T HA 0.733 5.082 4.350 -0.000 0.000 0.296 1143 T C -1.698 172.926 174.700 -0.128 0.000 1.166 1143 T CA -0.432 61.486 62.100 -0.303 0.000 1.007 1143 T CB 1.090 69.280 68.868 -1.131 0.000 1.253 1143 T HN 0.532 nan 8.240 nan 0.000 0.511 1144 L N 2.258 123.442 121.223 -0.066 0.000 2.341 1144 L HA 0.739 5.079 4.340 -0.000 0.000 0.278 1144 L C 0.088 176.963 176.870 0.007 0.000 1.005 1144 L CA -0.296 54.536 54.840 -0.014 0.000 0.818 1144 L CB 2.034 44.102 42.059 0.016 0.000 1.259 1144 L HN 0.606 nan 8.230 nan 0.000 0.418 1145 S N 1.552 117.267 115.700 0.024 0.000 2.806 1145 S HA 0.739 5.209 4.470 -0.000 0.000 0.315 1145 S C -1.741 172.952 174.600 0.155 0.000 1.127 1145 S CA -0.319 57.922 58.200 0.069 0.000 0.918 1145 S CB 1.353 64.561 63.200 0.012 0.000 1.240 1145 S HN 0.419 nan 8.310 nan 0.000 0.552 1146 Y N 0.351 120.657 120.300 0.011 0.000 2.588 1146 Y HA 0.467 5.017 4.550 -0.000 0.000 0.343 1146 Y C 0.184 176.064 175.900 -0.034 0.000 1.065 1146 Y CA -0.943 57.133 58.100 -0.039 0.000 1.038 1146 Y CB 1.019 39.412 38.460 -0.112 0.000 1.297 1146 Y HN 0.522 nan 8.280 nan 0.000 0.467 1147 L N 3.190 123.812 121.223 -1.002 0.000 2.261 1147 L HA 0.043 4.383 4.340 -0.000 0.000 0.216 1147 L C 1.953 178.528 176.870 -0.492 0.000 1.114 1147 L CA 2.488 56.941 54.840 -0.646 0.000 0.777 1147 L CB -1.019 40.682 42.059 -0.596 0.000 0.910 1147 L HN 1.013 nan 8.230 nan 0.000 0.440 1148 G N -1.135 107.288 108.800 -0.628 0.000 2.485 1148 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.221 1148 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.221 1148 G C 1.622 176.582 174.900 0.101 0.000 1.115 1148 G CA 0.775 45.836 45.100 -0.065 0.000 0.751 1148 G HN 0.615 nan 8.290 nan 0.000 0.567 1149 A N 0.908 123.770 122.820 0.069 0.000 1.933 1149 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 1149 A C 2.166 179.772 177.584 0.038 0.000 1.175 1149 A CA 1.883 53.961 52.037 0.070 0.000 0.628 1149 A CB -0.228 18.806 19.000 0.057 0.000 0.814 1149 A HN 0.483 nan 8.150 nan 0.000 0.444 1150 E N -1.132 119.074 120.200 0.010 0.000 2.340 1150 E HA 0.084 4.433 4.350 -0.000 0.000 0.194 1150 E C 0.211 176.816 176.600 0.007 0.000 0.996 1150 E CA 0.134 56.545 56.400 0.018 0.000 0.869 1150 E CB 0.260 29.980 29.700 0.034 0.000 0.835 1150 E HN 0.361 nan 8.360 nan 0.000 0.493 1151 R N 0.442 120.937 120.500 -0.008 0.000 2.744 1151 R HA 0.569 4.909 4.340 -0.000 0.000 0.279 1151 R C -1.004 175.305 176.300 0.015 0.000 0.977 1151 R CA -0.865 55.236 56.100 0.002 0.000 0.906 1151 R CB 1.700 32.002 30.300 0.003 0.000 1.197 1151 R HN -0.047 nan 8.270 nan 0.000 0.463 1152 A N 3.704 126.536 122.820 0.019 0.000 2.410 1152 A HA 0.333 4.653 4.320 -0.000 0.000 0.292 1152 A C 0.158 177.775 177.584 0.054 0.000 1.232 1152 A CA -0.071 51.980 52.037 0.024 0.000 0.893 1152 A CB -0.432 18.573 19.000 0.009 0.000 1.131 1152 A HN 0.579 nan 8.150 nan 0.000 0.530 1153 I N 4.408 125.034 120.570 0.093 0.000 2.354 1153 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 1153 I C -2.128 174.081 176.117 0.153 0.000 0.989 1153 I CA -2.257 59.114 61.300 0.118 0.000 1.188 1153 I CB 1.949 40.025 38.000 0.126 0.000 1.342 1153 I HN 0.414 nan 8.210 nan 0.000 0.457 1154 P HA 0.015 nan 4.420 nan 0.000 0.263 1154 P C 0.116 177.511 177.300 0.157 0.000 1.175 1154 P CA 0.501 63.672 63.100 0.118 0.000 0.761 1154 P CB 0.255 32.001 31.700 0.077 0.000 0.794 1155 N N 0.158 118.952 118.700 0.156 0.000 2.927 1155 N HA -0.310 4.430 4.740 -0.000 0.000 0.220 1155 N C 0.974 176.608 175.510 0.206 0.000 0.845 1155 N CA 1.563 54.709 53.050 0.160 0.000 1.089 1155 N CB -1.713 36.855 38.487 0.136 0.000 0.994 1155 N HN 0.485 nan 8.380 nan 0.000 0.616 1156 Y N 2.718 123.077 120.300 0.099 0.000 2.352 1156 Y HA -0.148 4.402 4.550 -0.000 0.000 0.292 1156 Y C 1.453 177.406 175.900 0.088 0.000 1.136 1156 Y CA 1.868 60.026 58.100 0.097 0.000 1.227 1156 Y CB -0.018 38.535 38.460 0.155 0.000 0.991 1156 Y HN 0.147 nan 8.280 nan 0.000 0.545 1157 N N -0.656 118.131 118.700 0.146 0.000 1.099 1157 N HA -0.367 4.373 4.740 -0.000 0.000 0.125 1157 N C 1.343 176.874 175.510 0.035 0.000 0.649 1157 N CA 1.866 55.014 53.050 0.163 0.000 0.865 1157 N CB -1.505 37.172 38.487 0.317 0.000 1.240 1157 N HN 0.257 nan 8.380 nan 0.000 0.580 1158 V N 0.904 120.942 119.914 0.206 0.000 2.688 1158 V HA -0.173 3.947 4.120 -0.000 0.000 0.256 1158 V C 2.295 178.312 176.094 -0.128 0.000 1.084 1158 V CA 1.768 64.169 62.300 0.167 0.000 1.103 1158 V CB -0.394 31.589 31.823 0.267 0.000 0.688 1158 V HN 0.357 nan 8.190 nan 0.000 0.480 1159 M N -0.117 119.277 119.600 -0.344 0.000 2.296 1159 M HA -0.031 4.449 4.480 -0.000 0.000 0.265 1159 M C 2.183 178.230 176.300 -0.422 0.000 1.064 1159 M CA 1.641 56.602 55.300 -0.566 0.000 1.109 1159 M CB -1.678 30.306 32.600 -1.026 0.000 1.396 1159 M HN 0.475 nan 8.290 nan 0.000 0.430 1160 G N -0.127 108.526 108.800 -0.246 0.000 2.402 1160 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.216 1160 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.216 1160 G C 1.467 176.379 174.900 0.021 0.000 1.162 1160 G CA 0.448 45.647 45.100 0.164 0.000 0.777 1160 G HN 0.345 nan 8.290 nan 0.000 0.539 1161 L N 1.265 122.455 121.223 -0.055 0.000 2.056 1161 L HA 0.107 4.447 4.340 -0.000 0.000 0.207 1161 L C 3.262 180.003 176.870 -0.215 0.000 1.078 1161 L CA 1.640 56.467 54.840 -0.021 0.000 0.749 1161 L CB -0.644 41.501 42.059 0.143 0.000 0.901 1161 L HN 0.259 nan 8.230 nan 0.000 0.433 1162 A N -0.824 121.704 122.820 -0.487 0.000 1.902 1162 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 1162 A C 2.293 179.734 177.584 -0.240 0.000 1.181 1162 A CA 1.448 53.087 52.037 -0.663 0.000 0.623 1162 A CB -0.326 18.345 19.000 -0.549 0.000 0.818 1162 A HN 0.213 nan 8.150 nan 0.000 0.443 1163 K N -0.031 120.317 120.400 -0.086 0.000 2.097 1163 K HA 0.054 4.374 4.320 -0.000 0.000 0.205 1163 K C 2.232 178.850 176.600 0.030 0.000 1.050 1163 K CA 1.239 57.542 56.287 0.027 0.000 0.938 1163 K CB -0.912 31.677 32.500 0.147 0.000 0.718 1163 K HN 0.444 nan 8.250 nan 0.000 0.442 1164 A N 1.038 123.874 122.820 0.027 0.000 1.877 1164 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 1164 A C 2.467 180.090 177.584 0.064 0.000 1.186 1164 A CA 2.358 54.426 52.037 0.052 0.000 0.620 1164 A CB -0.824 18.213 19.000 0.061 0.000 0.822 1164 A HN 0.334 nan 8.150 nan 0.000 0.443 1165 S N -0.851 114.877 115.700 0.046 0.000 2.368 1165 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 1165 S C 1.940 176.592 174.600 0.086 0.000 1.030 1165 S CA 1.586 59.834 58.200 0.080 0.000 0.999 1165 S CB -0.467 62.787 63.200 0.090 0.000 0.844 1165 S HN 0.473 nan 8.310 nan 0.000 0.459 1166 L N 1.839 123.096 121.223 0.057 0.000 2.046 1166 L HA 0.001 4.340 4.340 -0.000 0.000 0.208 1166 L C 2.245 179.172 176.870 0.095 0.000 1.077 1166 L CA 2.064 56.949 54.840 0.075 0.000 0.747 1166 L CB -0.807 41.268 42.059 0.026 0.000 0.896 1166 L HN 0.359 nan 8.230 nan 0.000 0.432 1167 E N -0.625 119.620 120.200 0.075 0.000 2.150 1167 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 1167 E C 2.141 178.817 176.600 0.126 0.000 0.985 1167 E CA 0.919 57.367 56.400 0.080 0.000 0.814 1167 E CB -0.255 29.479 29.700 0.056 0.000 0.752 1167 E HN 0.654 nan 8.360 nan 0.000 0.466 1168 A N 1.487 124.397 122.820 0.150 0.000 1.898 1168 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 1168 A C 1.895 179.661 177.584 0.303 0.000 1.181 1168 A CA 1.537 53.709 52.037 0.225 0.000 0.620 1168 A CB -0.710 18.411 19.000 0.202 0.000 0.819 1168 A HN 0.233 nan 8.150 nan 0.000 0.442 1169 N N -0.325 118.514 118.700 0.231 0.000 2.069 1169 N HA -0.156 4.584 4.740 -0.000 0.000 0.191 1169 N C 1.658 177.321 175.510 0.253 0.000 1.031 1169 N CA 1.439 54.632 53.050 0.238 0.000 0.852 1169 N CB -0.143 38.485 38.487 0.234 0.000 1.018 1169 N HN 0.216 nan 8.380 nan 0.000 0.423 1170 V N 1.394 121.469 119.914 0.269 0.000 2.252 1170 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 1170 V C 2.306 178.483 176.094 0.138 0.000 1.056 1170 V CA 1.768 64.217 62.300 0.249 0.000 1.022 1170 V CB -0.526 31.411 31.823 0.191 0.000 0.641 1170 V HN 0.363 nan 8.190 nan 0.000 0.445 1171 R N -1.498 119.073 120.500 0.119 0.000 2.091 1171 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 1171 R C 2.286 178.550 176.300 -0.061 0.000 1.136 1171 R CA 2.045 58.157 56.100 0.019 0.000 0.959 1171 R CB -0.475 29.821 30.300 -0.006 0.000 0.856 1171 R HN 0.539 nan 8.270 nan 0.000 0.437 1172 Y N 0.103 120.419 120.300 0.028 0.000 2.314 1172 Y HA -0.074 4.476 4.550 -0.000 0.000 0.293 1172 Y C 2.354 178.246 175.900 -0.012 0.000 1.129 1172 Y CA 1.165 59.273 58.100 0.013 0.000 1.201 1172 Y CB 0.002 38.477 38.460 0.025 0.000 0.999 1172 Y HN -0.009 nan 8.280 nan 0.000 0.541 1173 M N -1.181 118.481 119.600 0.103 0.000 2.160 1173 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 1173 M C 2.545 178.822 176.300 -0.039 0.000 1.073 1173 M CA 1.411 56.708 55.300 -0.006 0.000 1.142 1173 M CB -0.343 32.198 32.600 -0.098 0.000 1.358 1173 M HN 0.253 nan 8.290 nan 0.000 0.422 1174 A N 0.568 123.372 122.820 -0.027 0.000 1.908 1174 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 1174 A C 1.936 179.485 177.584 -0.058 0.000 1.181 1174 A CA 2.143 54.153 52.037 -0.045 0.000 0.627 1174 A CB -1.212 17.771 19.000 -0.028 0.000 0.818 1174 A HN 0.618 nan 8.150 nan 0.000 0.445 1175 N N -0.255 118.404 118.700 -0.068 0.000 2.142 1175 N HA -0.101 4.639 4.740 -0.000 0.000 0.186 1175 N C 1.924 177.401 175.510 -0.055 0.000 1.023 1175 N CA 1.166 54.168 53.050 -0.080 0.000 0.852 1175 N CB -0.138 38.267 38.487 -0.138 0.000 0.998 1175 N HN 0.429 nan 8.380 nan 0.000 0.424 1176 A N 0.867 123.666 122.820 -0.035 0.000 1.897 1176 A HA -0.016 4.304 4.320 -0.000 0.000 0.215 1176 A C 2.081 179.640 177.584 -0.042 0.000 1.181 1176 A CA 0.934 52.958 52.037 -0.022 0.000 0.620 1176 A CB -0.210 18.793 19.000 0.004 0.000 0.821 1176 A HN 0.290 nan 8.150 nan 0.000 0.443 1177 M N -0.865 118.699 119.600 -0.060 0.000 2.486 1177 M HA 0.103 4.583 4.480 -0.000 0.000 0.264 1177 M C 2.212 178.465 176.300 -0.078 0.000 1.125 1177 M CA 0.703 55.956 55.300 -0.078 0.000 1.144 1177 M CB -0.311 32.225 32.600 -0.106 0.000 1.353 1177 M HN 0.432 nan 8.290 nan 0.000 0.466 1178 G N 2.410 111.167 108.800 -0.072 0.000 2.556 1178 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 1178 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 1178 G C -0.950 173.912 174.900 -0.063 0.000 1.156 1178 G CA 0.982 46.041 45.100 -0.069 0.000 0.766 1178 G HN 0.324 nan 8.290 nan 0.000 0.583 1179 P HA -0.070 nan 4.420 nan 0.000 0.218 1179 P C 1.448 178.716 177.300 -0.053 0.000 1.146 1179 P CA 1.497 64.567 63.100 -0.049 0.000 0.813 1179 P CB 0.018 31.694 31.700 -0.042 0.000 0.778 1180 E N -1.497 118.665 120.200 -0.063 0.000 2.465 1180 E HA 0.201 4.551 4.350 -0.000 0.000 0.195 1180 E C 0.737 177.289 176.600 -0.080 0.000 1.028 1180 E CA 0.425 56.785 56.400 -0.068 0.000 0.899 1180 E CB -0.551 29.107 29.700 -0.071 0.000 1.032 1180 E HN 0.121 nan 8.360 nan 0.000 0.468 1181 G N 0.480 109.232 108.800 -0.081 0.000 2.130 1181 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 1181 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 1181 G C -0.075 174.760 174.900 -0.109 0.000 0.999 1181 G CA 0.071 45.117 45.100 -0.089 0.000 0.686 1181 G HN 0.205 nan 8.290 nan 0.000 0.515 1182 V N 0.536 120.382 119.914 -0.114 0.000 2.495 1182 V HA 0.676 4.796 4.120 -0.000 0.000 0.298 1182 V C 0.523 176.544 176.094 -0.121 0.000 1.031 1182 V CA -1.008 61.210 62.300 -0.136 0.000 0.871 1182 V CB 1.633 33.360 31.823 -0.160 0.000 0.988 1182 V HN 0.375 nan 8.190 nan 0.000 0.432 1183 R N 2.592 123.017 120.500 -0.124 0.000 2.598 1183 R HA 0.867 5.207 4.340 -0.000 0.000 0.279 1183 R C -1.442 174.798 176.300 -0.101 0.000 0.984 1183 R CA -0.737 55.302 56.100 -0.101 0.000 0.999 1183 R CB 2.246 32.486 30.300 -0.100 0.000 1.114 1183 R HN 0.521 nan 8.270 nan 0.000 0.493 1184 V N 2.733 122.611 119.914 -0.059 0.000 2.569 1184 V HA 0.409 4.529 4.120 -0.000 0.000 0.301 1184 V C -0.634 175.490 176.094 0.049 0.000 1.044 1184 V CA -0.895 61.402 62.300 -0.005 0.000 0.874 1184 V CB 1.710 33.523 31.823 -0.017 0.000 1.002 1184 V HN 0.823 nan 8.190 nan 0.000 0.424 1185 N N 1.943 120.691 118.700 0.080 0.000 2.902 1185 N HA 0.887 5.627 4.740 -0.000 0.000 0.268 1185 N C -0.934 174.608 175.510 0.053 0.000 1.450 1185 N CA -0.506 52.578 53.050 0.058 0.000 0.819 1185 N CB 2.776 41.277 38.487 0.023 0.000 1.540 1185 N HN 0.793 nan 8.380 nan 0.000 0.545 1186 A N 0.463 123.293 122.820 0.018 0.000 2.515 1186 A HA 0.703 5.023 4.320 -0.000 0.000 0.298 1186 A C -1.147 176.423 177.584 -0.023 0.000 1.059 1186 A CA -0.546 51.477 52.037 -0.024 0.000 0.698 1186 A CB 1.096 20.066 19.000 -0.050 0.000 1.289 1186 A HN 0.542 nan 8.150 nan 0.000 0.404 1187 I N 1.534 122.091 120.570 -0.021 0.000 2.354 1187 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 1187 I C 0.467 176.557 176.117 -0.045 0.000 0.989 1187 I CA -0.320 60.971 61.300 -0.015 0.000 1.188 1187 I CB 2.011 40.028 38.000 0.029 0.000 1.342 1187 I HN 0.560 nan 8.210 nan 0.000 0.457 1188 S N 6.221 121.849 115.700 -0.120 0.000 2.592 1188 S HA 0.566 5.036 4.470 -0.000 0.000 0.305 1188 S C 0.044 174.636 174.600 -0.014 0.000 1.118 1188 S CA -0.624 57.496 58.200 -0.134 0.000 1.075 1188 S CB 0.032 62.972 63.200 -0.433 0.000 1.107 1188 S HN 0.646 nan 8.310 nan 0.000 0.503 1189 A N 3.896 126.760 122.820 0.073 0.000 2.354 1189 A HA 0.694 5.014 4.320 -0.000 0.000 0.269 1189 A C 0.910 178.606 177.584 0.186 0.000 1.109 1189 A CA -0.195 51.908 52.037 0.110 0.000 0.800 1189 A CB 0.167 19.221 19.000 0.090 0.000 1.045 1189 A HN 0.878 nan 8.150 nan 0.000 0.489 1190 G N 1.261 110.146 108.800 0.142 0.000 2.599 1190 G HA2 0.512 4.472 3.960 -0.000 0.000 0.264 1190 G HA3 0.512 4.472 3.960 -0.000 0.000 0.264 1190 G C -2.368 172.592 174.900 0.100 0.000 1.200 1190 G CA -1.215 43.967 45.100 0.137 0.000 0.896 1190 G HN 0.630 nan 8.290 nan 0.000 0.536 1191 P HA 0.159 nan 4.420 nan 0.000 0.265 1191 P C -0.637 176.705 177.300 0.070 0.000 1.193 1191 P CA 0.550 63.649 63.100 -0.001 0.000 0.765 1191 P CB 0.850 32.404 31.700 -0.244 0.000 0.823 1192 I N 1.556 122.268 120.570 0.235 0.000 2.656 1192 I HA 0.289 4.459 4.170 -0.000 0.000 0.292 1192 I C 0.322 176.617 176.117 0.297 0.000 1.144 1192 I CA -1.257 60.156 61.300 0.189 0.000 1.038 1192 I CB 2.595 40.655 38.000 0.101 0.000 1.244 1192 I HN 0.125 nan 8.210 nan 0.000 0.420 1193 R N 4.010 124.675 120.500 0.275 0.000 2.345 1193 R HA 0.355 4.695 4.340 -0.000 0.000 0.331 1193 R C -0.417 175.898 176.300 0.024 0.000 1.067 1193 R CA 0.290 56.512 56.100 0.204 0.000 0.962 1193 R CB 0.012 30.427 30.300 0.193 0.000 0.987 1193 R HN 0.789 nan 8.270 nan 0.000 0.451 1194 T N 0.589 115.086 114.554 -0.094 0.000 2.864 1194 T HA 0.242 4.592 4.350 -0.000 0.000 0.289 1194 T C 0.874 175.499 174.700 -0.125 0.000 1.082 1194 T CA -1.086 60.965 62.100 -0.083 0.000 1.009 1194 T CB 0.751 69.580 68.868 -0.064 0.000 1.234 1194 T HN 0.199 nan 8.240 nan 0.000 0.526 1195 L N 0.888 122.064 121.223 -0.078 0.000 1.990 1195 L HA -0.058 4.282 4.340 -0.000 0.000 0.213 1195 L C 2.915 179.726 176.870 -0.097 0.000 1.072 1195 L CA 2.891 57.689 54.840 -0.070 0.000 0.755 1195 L CB -1.802 40.237 42.059 -0.033 0.000 0.889 1195 L HN 1.007 nan 8.230 nan 0.000 0.432 1196 A N -1.057 121.706 122.820 -0.096 0.000 2.015 1196 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 1196 A C 2.431 179.887 177.584 -0.213 0.000 1.163 1196 A CA 1.392 53.369 52.037 -0.100 0.000 0.646 1196 A CB -0.558 18.410 19.000 -0.053 0.000 0.806 1196 A HN 0.479 nan 8.150 nan 0.000 0.448 1197 A N -0.059 122.545 122.820 -0.359 0.000 1.978 1197 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 1197 A C 2.278 179.386 177.584 -0.793 0.000 1.170 1197 A CA 1.939 53.493 52.037 -0.805 0.000 0.636 1197 A CB -0.793 17.521 19.000 -1.144 0.000 0.810 1197 A HN 0.472 nan 8.150 nan 0.000 0.448 1198 S N -0.334 115.107 115.700 -0.430 0.000 2.507 1198 S HA 0.001 4.471 4.470 -0.000 0.000 0.235 1198 S C 1.690 176.206 174.600 -0.141 0.000 0.988 1198 S CA 0.715 58.773 58.200 -0.236 0.000 0.944 1198 S CB -0.301 62.821 63.200 -0.132 0.000 0.762 1198 S HN 0.759 nan 8.310 nan 0.000 0.526 1199 G N 0.710 109.423 108.800 -0.145 0.000 2.920 1199 G HA2 0.284 4.244 3.960 -0.000 0.000 0.208 1199 G HA3 0.284 4.244 3.960 -0.000 0.000 0.208 1199 G C 0.252 175.127 174.900 -0.043 0.000 1.159 1199 G CA -0.128 44.929 45.100 -0.072 0.000 0.784 1199 G HN 0.425 nan 8.290 nan 0.000 0.535 1200 I N -0.020 120.525 120.570 -0.042 0.000 2.441 1200 I HA 0.285 4.455 4.170 -0.000 0.000 0.295 1200 I C 0.224 176.402 176.117 0.101 0.000 0.994 1200 I CA -1.011 60.324 61.300 0.059 0.000 1.144 1200 I CB 2.164 40.247 38.000 0.139 0.000 1.314 1200 I HN -0.202 nan 8.210 nan 0.000 0.445 1201 K N 5.122 125.581 120.400 0.098 0.000 2.448 1201 K HA -0.023 4.297 4.320 -0.000 0.000 0.278 1201 K C -0.224 176.443 176.600 0.112 0.000 1.009 1201 K CA 0.255 56.595 56.287 0.090 0.000 0.995 1201 K CB 0.331 32.873 32.500 0.069 0.000 0.917 1201 K HN 0.687 nan 8.250 nan 0.000 0.481 1202 D N 3.142 123.601 120.400 0.098 0.000 2.811 1202 D HA -0.256 4.384 4.640 -0.000 0.000 0.231 1202 D C 0.452 176.810 176.300 0.097 0.000 1.157 1202 D CA 0.817 54.865 54.000 0.080 0.000 0.716 1202 D CB -1.424 39.402 40.800 0.042 0.000 1.077 1202 D HN 0.595 nan 8.370 nan 0.000 0.428 1203 F N 0.753 120.699 119.950 -0.006 0.000 2.154 1203 F HA -0.185 4.342 4.527 -0.000 0.000 0.301 1203 F C 2.388 178.178 175.800 -0.016 0.000 1.087 1203 F CA 1.863 59.851 58.000 -0.020 0.000 1.274 1203 F CB -0.020 38.964 39.000 -0.028 0.000 1.009 1203 F HN -0.055 nan 8.300 nan 0.000 0.485 1204 R N 0.207 120.753 120.500 0.076 0.000 2.105 1204 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 1204 R C 2.074 178.329 176.300 -0.074 0.000 1.135 1204 R CA 1.633 57.732 56.100 -0.000 0.000 0.967 1204 R CB -0.121 30.208 30.300 0.049 0.000 0.861 1204 R HN 0.161 nan 8.270 nan 0.000 0.442 1205 K N -0.089 120.277 120.400 -0.057 0.000 2.228 1205 K HA -0.027 4.293 4.320 -0.000 0.000 0.202 1205 K C 1.900 178.455 176.600 -0.076 0.000 1.051 1205 K CA 1.031 57.290 56.287 -0.045 0.000 0.960 1205 K CB -0.176 32.310 32.500 -0.023 0.000 0.743 1205 K HN 0.271 nan 8.250 nan 0.000 0.458 1206 M N 0.829 120.324 119.600 -0.176 0.000 2.059 1206 M HA -0.117 4.363 4.480 -0.000 0.000 0.259 1206 M C 2.251 178.394 176.300 -0.260 0.000 1.072 1206 M CA 1.600 56.764 55.300 -0.227 0.000 1.117 1206 M CB -0.483 31.863 32.600 -0.423 0.000 1.320 1206 M HN -0.006 nan 8.290 nan 0.000 0.408 1207 L N -0.334 120.627 121.223 -0.437 0.000 2.089 1207 L HA -0.261 4.079 4.340 -0.000 0.000 0.213 1207 L C 2.633 179.407 176.870 -0.160 0.000 1.079 1207 L CA 1.465 56.105 54.840 -0.332 0.000 0.758 1207 L CB -0.863 41.001 42.059 -0.324 0.000 0.891 1207 L HN 0.375 nan 8.230 nan 0.000 0.433 1208 A N -1.086 121.675 122.820 -0.097 0.000 1.935 1208 A HA -0.206 4.114 4.320 -0.000 0.000 0.214 1208 A C 2.061 179.648 177.584 0.004 0.000 1.178 1208 A CA 1.278 53.294 52.037 -0.035 0.000 0.640 1208 A CB -0.626 18.366 19.000 -0.012 0.000 0.825 1208 A HN 0.540 nan 8.150 nan 0.000 0.447 1209 H N -0.199 118.830 119.070 -0.069 0.000 2.290 1209 H HA -0.181 4.375 4.556 -0.000 0.000 0.298 1209 H C 1.984 177.317 175.328 0.008 0.000 1.087 1209 H CA 2.449 58.485 56.048 -0.020 0.000 1.291 1209 H CB -0.886 28.862 29.762 -0.023 0.000 1.369 1209 H HN 0.372 nan 8.280 nan 0.000 0.492 1210 C N 1.040 120.208 119.300 -0.220 0.000 2.393 1210 C HA -0.143 4.317 4.460 -0.000 0.000 0.276 1210 C C 2.602 177.523 174.990 -0.114 0.000 1.215 1210 C CA 1.412 60.265 59.018 -0.274 0.000 1.743 1210 C CB -0.880 26.633 27.740 -0.378 0.000 2.044 1210 C HN 0.713 nan 8.230 nan 0.000 0.464 1211 E N 0.430 120.576 120.200 -0.091 0.000 2.171 1211 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 1211 E C 2.211 178.792 176.600 -0.032 0.000 0.997 1211 E CA 1.460 57.832 56.400 -0.046 0.000 0.810 1211 E CB -0.169 29.508 29.700 -0.038 0.000 0.738 1211 E HN 0.741 nan 8.360 nan 0.000 0.467 1212 A N 0.654 123.447 122.820 -0.046 0.000 1.911 1212 A HA -0.051 4.269 4.320 -0.000 0.000 0.212 1212 A C 2.247 179.806 177.584 -0.041 0.000 1.189 1212 A CA 0.903 52.920 52.037 -0.033 0.000 0.639 1212 A CB -0.157 18.833 19.000 -0.017 0.000 0.839 1212 A HN 0.210 nan 8.150 nan 0.000 0.449 1213 V N -2.267 117.598 119.914 -0.082 0.000 3.646 1213 V HA 0.188 4.308 4.120 -0.000 0.000 0.277 1213 V C 0.350 176.439 176.094 -0.007 0.000 1.274 1213 V CA 0.514 62.771 62.300 -0.071 0.000 1.164 1213 V CB -1.149 30.582 31.823 -0.153 0.000 0.926 1213 V HN 0.217 nan 8.190 nan 0.000 0.442 1214 T N 3.004 117.583 114.554 0.043 0.000 2.771 1214 T HA 0.364 4.714 4.350 -0.000 0.000 0.291 1214 T C -1.564 173.146 174.700 0.017 0.000 0.954 1214 T CA -0.613 61.533 62.100 0.077 0.000 1.045 1214 T CB 1.611 70.539 68.868 0.100 0.000 0.917 1214 T HN 0.189 nan 8.240 nan 0.000 0.484 1215 P HA -0.168 nan 4.420 nan 0.000 0.217 1215 P C 1.507 178.804 177.300 -0.005 0.000 1.158 1215 P CA 1.150 64.241 63.100 -0.015 0.000 0.887 1215 P CB -0.138 31.548 31.700 -0.022 0.000 0.792 1216 I N -5.528 115.046 120.570 0.006 0.000 3.334 1216 I HA 0.093 4.263 4.170 -0.000 0.000 0.282 1216 I C 0.133 176.253 176.117 0.005 0.000 1.313 1216 I CA 0.451 61.754 61.300 0.006 0.000 1.396 1216 I CB -0.396 37.611 38.000 0.011 0.000 1.054 1216 I HN -0.171 nan 8.210 nan 0.000 0.495 1217 R N 1.787 122.290 120.500 0.005 0.000 3.770 1217 R HA -0.176 4.163 4.340 -0.000 0.000 0.305 1217 R C -0.360 175.940 176.300 0.000 0.000 1.184 1217 R CA 1.290 57.390 56.100 0.001 0.000 0.823 1217 R CB -2.217 28.081 30.300 -0.003 0.000 1.285 1217 R HN 0.876 nan 8.270 nan 0.000 0.499 1218 R N -2.609 117.893 120.500 0.004 0.000 2.710 1218 R HA 0.500 4.840 4.340 -0.000 0.000 0.270 1218 R C -0.560 175.741 176.300 0.001 0.000 1.021 1218 R CA -0.551 55.550 56.100 0.001 0.000 0.889 1218 R CB 0.874 31.177 30.300 0.005 0.000 1.243 1218 R HN -0.021 nan 8.270 nan 0.000 0.464 1219 T N -0.583 113.965 114.554 -0.009 0.000 2.904 1219 T HA 0.401 4.751 4.350 -0.000 0.000 0.290 1219 T C 1.034 175.740 174.700 0.010 0.000 1.018 1219 T CA -0.536 61.556 62.100 -0.014 0.000 1.075 1219 T CB 1.167 70.013 68.868 -0.038 0.000 0.986 1219 T HN 0.626 nan 8.240 nan 0.000 0.523 1220 V N 0.191 120.117 119.914 0.020 0.000 3.319 1220 V HA 0.689 4.809 4.120 -0.000 0.000 0.303 1220 V C 0.531 176.647 176.094 0.037 0.000 1.094 1220 V CA -0.443 61.877 62.300 0.034 0.000 1.106 1220 V CB 0.393 32.244 31.823 0.046 0.000 1.099 1220 V HN 1.287 nan 8.190 nan 0.000 0.476 1221 T N -0.523 114.055 114.554 0.040 0.000 2.927 1221 T HA 0.580 4.930 4.350 -0.000 0.000 0.286 1221 T C 0.946 175.676 174.700 0.050 0.000 1.040 1221 T CA -0.135 61.992 62.100 0.044 0.000 1.010 1221 T CB 1.481 70.373 68.868 0.040 0.000 1.177 1221 T HN 1.028 nan 8.240 nan 0.000 0.546 1222 I N -1.857 118.745 120.570 0.054 0.000 2.928 1222 I HA 0.159 4.329 4.170 -0.000 0.000 0.266 1222 I C 1.844 177.988 176.117 0.045 0.000 1.234 1222 I CA 0.773 62.106 61.300 0.055 0.000 1.483 1222 I CB -0.511 37.532 38.000 0.071 0.000 1.097 1222 I HN 0.455 nan 8.210 nan 0.000 0.455 1223 E N 1.781 122.007 120.200 0.044 0.000 2.046 1223 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 1223 E C 1.756 178.382 176.600 0.043 0.000 0.982 1223 E CA 1.248 57.670 56.400 0.037 0.000 0.800 1223 E CB -0.190 29.532 29.700 0.037 0.000 0.756 1223 E HN 0.444 nan 8.360 nan 0.000 0.449 1224 D N -0.243 120.183 120.400 0.043 0.000 2.103 1224 D HA -0.145 4.495 4.640 -0.000 0.000 0.190 1224 D C 1.985 178.317 176.300 0.054 0.000 0.997 1224 D CA 1.238 55.264 54.000 0.044 0.000 0.833 1224 D CB -0.330 40.495 40.800 0.041 0.000 0.961 1224 D HN 0.016 nan 8.370 nan 0.000 0.447 1225 V N 0.760 120.708 119.914 0.056 0.000 2.407 1225 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 1225 V C 2.478 178.614 176.094 0.071 0.000 1.055 1225 V CA 1.960 64.297 62.300 0.063 0.000 1.049 1225 V CB -0.947 30.911 31.823 0.059 0.000 0.662 1225 V HN 0.255 nan 8.190 nan 0.000 0.455 1226 G N -0.224 108.612 108.800 0.060 0.000 2.443 1226 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 1226 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 1226 G C 1.441 176.396 174.900 0.093 0.000 1.131 1226 G CA 0.597 45.732 45.100 0.059 0.000 0.775 1226 G HN 0.497 nan 8.290 nan 0.000 0.547 1227 N N 0.745 119.507 118.700 0.104 0.000 2.216 1227 N HA -0.035 4.705 4.740 -0.000 0.000 0.183 1227 N C 2.460 178.098 175.510 0.212 0.000 1.017 1227 N CA 0.992 54.138 53.050 0.159 0.000 0.861 1227 N CB -0.152 38.407 38.487 0.118 0.000 0.986 1227 N HN 0.162 nan 8.380 nan 0.000 0.428 1228 S N 0.570 116.363 115.700 0.155 0.000 2.406 1228 S HA 0.037 4.507 4.470 -0.000 0.000 0.228 1228 S C 1.998 176.749 174.600 0.252 0.000 1.020 1228 S CA 0.890 59.203 58.200 0.188 0.000 0.965 1228 S CB -0.064 63.207 63.200 0.119 0.000 0.798 1228 S HN 0.463 nan 8.310 nan 0.000 0.488 1229 A N 1.463 124.390 122.820 0.179 0.000 1.929 1229 A HA 0.244 4.564 4.320 -0.000 0.000 0.216 1229 A C 2.312 179.999 177.584 0.173 0.000 1.176 1229 A CA 1.455 53.581 52.037 0.148 0.000 0.628 1229 A CB -0.945 18.116 19.000 0.103 0.000 0.816 1229 A HN 0.483 nan 8.150 nan 0.000 0.444 1230 A N -0.697 122.254 122.820 0.218 0.000 1.877 1230 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 1230 A C 2.035 179.893 177.584 0.456 0.000 1.186 1230 A CA 1.622 53.816 52.037 0.261 0.000 0.620 1230 A CB -0.825 18.290 19.000 0.191 0.000 0.822 1230 A HN 0.755 nan 8.150 nan 0.000 0.443 1231 F N 0.873 121.024 119.950 0.335 0.000 2.065 1231 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 1231 F C 1.783 177.623 175.800 0.067 0.000 1.112 1231 F CA 2.001 60.074 58.000 0.121 0.000 1.212 1231 F CB -0.444 38.549 39.000 -0.012 0.000 0.975 1231 F HN 0.130 nan 8.300 nan 0.000 0.476 1232 L N -0.645 120.552 121.223 -0.043 0.000 2.456 1232 L HA -0.213 4.127 4.340 -0.000 0.000 0.224 1232 L C 1.680 178.467 176.870 -0.139 0.000 1.148 1232 L CA 0.564 55.289 54.840 -0.192 0.000 0.825 1232 L CB -0.711 41.361 42.059 0.020 0.000 0.937 1232 L HN 0.324 nan 8.230 nan 0.000 0.450 1233 C N -1.152 118.122 119.300 -0.044 0.000 2.974 1233 C HA 0.183 4.643 4.460 -0.000 0.000 0.282 1233 C C 1.503 176.480 174.990 -0.022 0.000 1.292 1233 C CA -0.500 58.500 59.018 -0.030 0.000 1.710 1233 C CB -0.835 26.917 27.740 0.020 0.000 2.036 1233 C HN 0.505 nan 8.230 nan 0.000 0.629 1234 S N -0.093 115.591 115.700 -0.026 0.000 2.718 1234 S HA 0.385 4.855 4.470 -0.000 0.000 0.300 1234 S C 0.159 174.698 174.600 -0.102 0.000 1.117 1234 S CA -0.262 57.953 58.200 0.026 0.000 1.002 1234 S CB 0.963 64.324 63.200 0.269 0.000 1.092 1234 S HN 0.186 nan 8.310 nan 0.000 0.542 1235 D N 0.533 120.899 120.400 -0.058 0.000 2.350 1235 D HA 0.041 4.681 4.640 -0.000 0.000 0.216 1235 D C 1.601 177.822 176.300 -0.131 0.000 0.968 1235 D CA 0.484 54.430 54.000 -0.090 0.000 0.894 1235 D CB -0.370 40.402 40.800 -0.047 0.000 0.909 1235 D HN 0.471 nan 8.370 nan 0.000 0.520 1236 L N 0.578 121.697 121.223 -0.172 0.000 2.191 1236 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 1236 L C 1.452 178.144 176.870 -0.297 0.000 1.103 1236 L CA 0.983 55.714 54.840 -0.180 0.000 0.769 1236 L CB -0.265 41.692 42.059 -0.171 0.000 0.908 1236 L HN 0.005 nan 8.230 nan 0.000 0.438 1237 S N -1.170 114.196 115.700 -0.557 0.000 2.506 1237 S HA 0.377 4.847 4.470 -0.000 0.000 0.245 1237 S C 1.392 175.833 174.600 -0.265 0.000 1.088 1237 S CA 0.055 57.914 58.200 -0.568 0.000 1.099 1237 S CB 0.688 63.312 63.200 -0.959 0.000 0.805 1237 S HN 0.221 nan 8.310 nan 0.000 0.461 1238 A N 1.706 124.424 122.820 -0.171 0.000 2.019 1238 A HA 0.185 4.505 4.320 -0.000 0.000 0.219 1238 A C 2.053 179.587 177.584 -0.083 0.000 1.164 1238 A CA 1.342 53.311 52.037 -0.113 0.000 0.644 1238 A CB -1.086 17.865 19.000 -0.083 0.000 0.805 1238 A HN 0.712 nan 8.150 nan 0.000 0.449 1239 G N -0.990 107.771 108.800 -0.065 0.000 2.985 1239 G HA2 0.357 4.317 3.960 -0.000 0.000 0.209 1239 G HA3 0.357 4.317 3.960 -0.000 0.000 0.209 1239 G C 0.381 175.261 174.900 -0.033 0.000 1.165 1239 G CA -0.026 45.051 45.100 -0.038 0.000 0.776 1239 G HN 0.432 nan 8.290 nan 0.000 0.541 1240 I N 0.645 121.182 120.570 -0.055 0.000 2.378 1240 I HA 0.533 4.703 4.170 -0.000 0.000 0.291 1240 I C -0.467 175.619 176.117 -0.051 0.000 0.992 1240 I CA -0.504 60.774 61.300 -0.038 0.000 1.154 1240 I CB 2.067 40.051 38.000 -0.025 0.000 1.315 1240 I HN -0.064 nan 8.210 nan 0.000 0.448 1241 S N 3.238 118.919 115.700 -0.031 0.000 2.547 1241 S HA 0.619 5.089 4.470 -0.000 0.000 0.270 1241 S C 0.281 174.872 174.600 -0.015 0.000 1.150 1241 S CA 0.225 58.406 58.200 -0.032 0.000 0.850 1241 S CB 1.701 64.873 63.200 -0.047 0.000 1.118 1241 S HN 1.141 nan 8.310 nan 0.000 0.461 1242 G N 1.913 110.711 108.800 -0.004 0.000 2.203 1242 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.263 1242 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.263 1242 G C -0.235 174.677 174.900 0.020 0.000 1.012 1242 G CA 1.010 46.115 45.100 0.008 0.000 0.749 1242 G HN 0.799 nan 8.290 nan 0.000 0.512 1243 E N -0.679 119.536 120.200 0.025 0.000 2.191 1243 E HA 0.616 4.966 4.350 -0.000 0.000 0.274 1243 E C -0.112 176.507 176.600 0.031 0.000 0.948 1243 E CA -0.751 55.669 56.400 0.034 0.000 0.802 1243 E CB 1.762 31.486 29.700 0.040 0.000 1.137 1243 E HN 0.232 nan 8.360 nan 0.000 0.397 1244 V N 5.330 125.259 119.914 0.026 0.000 2.257 1244 V HA 0.237 4.357 4.120 -0.000 0.000 0.269 1244 V C -0.532 175.532 176.094 -0.049 0.000 1.040 1244 V CA -0.786 61.495 62.300 -0.033 0.000 0.813 1244 V CB 0.952 32.742 31.823 -0.055 0.000 1.065 1244 V HN 0.539 nan 8.190 nan 0.000 0.457 1245 V N 4.385 124.288 119.914 -0.018 0.000 2.530 1245 V HA 0.244 4.364 4.120 -0.000 0.000 0.282 1245 V C 0.059 176.129 176.094 -0.040 0.000 1.048 1245 V CA -0.559 61.769 62.300 0.048 0.000 0.997 1245 V CB 0.615 32.492 31.823 0.090 0.000 0.987 1245 V HN 0.816 nan 8.190 nan 0.000 0.477 1246 H N 2.911 122.004 119.070 0.038 0.000 2.705 1246 H HA 0.393 4.949 4.556 -0.000 0.000 0.291 1246 H C -0.046 175.308 175.328 0.043 0.000 1.085 1246 H CA -0.463 55.608 56.048 0.040 0.000 1.357 1246 H CB 0.985 30.766 29.762 0.031 0.000 1.419 1246 H HN 0.366 nan 8.280 nan 0.000 0.462 1247 V N 3.966 123.948 119.914 0.114 0.000 2.370 1247 V HA 0.062 4.182 4.120 -0.000 0.000 0.279 1247 V C 0.210 176.365 176.094 0.101 0.000 1.280 1247 V CA -0.317 62.038 62.300 0.091 0.000 1.392 1247 V CB -0.219 31.645 31.823 0.069 0.000 1.464 1247 V HN 0.837 nan 8.190 nan 0.000 0.525 1248 D N 0.552 121.030 120.400 0.130 0.000 2.571 1248 D HA 0.194 4.834 4.640 -0.000 0.000 0.239 1248 D C 1.410 177.785 176.300 0.125 0.000 1.267 1248 D CA 0.178 54.259 54.000 0.135 0.000 0.823 1248 D CB 0.562 41.477 40.800 0.192 0.000 1.056 1248 D HN 0.418 nan 8.370 nan 0.000 0.494 1249 G N 0.138 108.991 108.800 0.089 0.000 2.186 1249 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.266 1249 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.266 1249 G C 1.220 176.158 174.900 0.062 0.000 0.982 1249 G CA 0.724 45.863 45.100 0.065 0.000 0.670 1249 G HN 1.524 nan 8.290 nan 0.000 0.533 1250 G N -1.756 107.090 108.800 0.076 0.000 2.184 1250 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.206 1250 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.206 1250 G C 0.966 175.878 174.900 0.020 0.000 0.995 1250 G CA 0.958 46.075 45.100 0.029 0.000 0.651 1250 G HN 1.441 nan 8.290 nan 0.000 0.511 1251 F N 3.159 123.089 119.950 -0.033 0.000 2.063 1251 F HA -0.182 4.345 4.527 -0.000 0.000 0.298 1251 F C 2.722 178.490 175.800 -0.054 0.000 1.109 1251 F CA 3.158 61.130 58.000 -0.047 0.000 1.212 1251 F CB -0.338 38.641 39.000 -0.035 0.000 0.973 1251 F HN 0.486 nan 8.300 nan 0.000 0.480 1252 S N 0.333 116.001 115.700 -0.054 0.000 2.474 1252 S HA -0.154 4.316 4.470 -0.000 0.000 0.235 1252 S C 1.683 176.136 174.600 -0.244 0.000 0.997 1252 S CA 1.021 59.116 58.200 -0.175 0.000 0.949 1252 S CB -1.250 61.932 63.200 -0.029 0.000 0.766 1252 S HN 0.579 nan 8.310 nan 0.000 0.517 1253 I N -0.349 120.090 120.570 -0.218 0.000 3.603 1253 I HA 0.532 4.702 4.170 -0.000 0.000 0.297 1253 I C 0.901 176.909 176.117 -0.182 0.000 1.269 1253 I CA -0.725 60.464 61.300 -0.185 0.000 1.361 1253 I CB -0.650 37.262 38.000 -0.147 0.000 1.063 1253 I HN 0.295 nan 8.210 nan 0.000 0.448 1254 A N 1.161 123.838 122.820 -0.238 0.000 2.252 1254 A HA 0.919 5.239 4.320 -0.000 0.000 0.305 1254 A C -0.062 177.375 177.584 -0.245 0.000 1.097 1254 A CA 0.037 51.944 52.037 -0.216 0.000 0.849 1254 A CB 0.475 19.345 19.000 -0.216 0.000 1.142 1254 A HN 0.617 nan 8.150 nan 0.000 0.499 1255 A N -0.108 122.607 122.820 -0.174 0.000 2.547 1255 A HA 0.603 4.923 4.320 -0.000 0.000 0.297 1255 A C -0.007 177.521 177.584 -0.093 0.000 1.056 1255 A CA -0.228 51.723 52.037 -0.143 0.000 0.688 1255 A CB 0.264 19.200 19.000 -0.107 0.000 1.282 1255 A HN 1.536 nan 8.150 nan 0.000 0.400 1256 M N 0.886 120.448 119.600 -0.063 0.000 2.253 1256 M HA -0.229 4.251 4.480 -0.000 0.000 0.199 1256 M C 0.377 176.661 176.300 -0.026 0.000 0.342 1256 M CA 0.725 56.010 55.300 -0.025 0.000 0.417 1256 M CB -1.750 30.838 32.600 -0.020 0.000 1.338 1256 M HN 0.848 nan 8.290 nan 0.000 0.920 1257 N N 0.000 118.674 118.700 -0.043 0.000 1.763 1257 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1257 N CA 0.000 53.026 53.050 -0.041 0.000 0.885 1257 N CB 0.000 38.445 38.487 -0.069 0.000 1.341 1257 N HN 0.000 nan 8.380 nan 0.000 0.667