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 1fdj_1_A DATA FIRST_RESID 1001 DATA SEQUENCE AHRFPALTPE QKKELSDIAQ RIVANGKGIL AADESVGTMG NRLQRIKVEN DATA SEQUENCE SEENRRQFRE ILFTVDNSIN QSIGGVILFH ETLYQKDSQG KLFRNILKEK DATA SEQUENCE GIVVGIKLDQ GGAPLAGTNK ETTIQGLDGL SERCAQYKKD GVDFGKWRAV DATA SEQUENCE LRIADQCPSS LAIQENANTL ARYASICQQN GLVPIVEPEV IPDGDHDLEH DATA SEQUENCE CQYVTEKVLA AVYKALNDHH VYLEGTLLKP NMVTAGHACT KKYTPEQVAM DATA SEQUENCE ATVTALHRTV PAAVPGICFL SGGMSEEDAT LNLNAINLCP LPKPWKLSFS DATA SEQUENCE YGRALQASAL AAWGGKAENK KATQEAFMKR AVVNCQAAKG QYVHTGSSGA DATA SEQUENCE ASTQSLFTAS YTY 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1001 A C 0.000 177.619 177.584 0.058 0.000 1.274 1001 A CA 0.000 52.155 52.037 0.196 0.000 0.836 1001 A CB 0.000 19.105 19.000 0.175 0.000 0.831 1002 H N 0.514 119.559 119.070 -0.042 0.000 2.561 1002 H HA 0.206 4.762 4.556 0.000 0.000 0.278 1002 H C 1.390 176.602 175.328 -0.194 0.000 1.014 1002 H CA 1.407 57.404 56.048 -0.084 0.000 1.211 1002 H CB -0.209 29.517 29.762 -0.060 0.000 1.365 1002 H HN 0.469 nan 8.280 nan 0.000 0.594 1003 R N -0.013 119.900 120.500 -0.978 0.000 2.310 1003 R HA 0.116 4.456 4.340 0.000 0.000 0.202 1003 R C -0.558 175.157 176.300 -0.975 0.000 0.933 1003 R CA 0.130 55.587 56.100 -1.072 0.000 1.054 1003 R CB 0.273 29.826 30.300 -1.246 0.000 0.985 1003 R HN 0.339 nan 8.270 nan 0.000 0.489 1004 F N 2.168 121.998 119.950 -0.199 0.000 2.523 1004 F HA 0.300 4.827 4.527 0.000 0.000 0.322 1004 F C -1.829 173.872 175.800 -0.165 0.000 1.361 1004 F CA -2.405 55.500 58.000 -0.158 0.000 1.151 1004 F CB 0.629 39.540 39.000 -0.149 0.000 1.391 1004 F HN -0.169 nan 8.300 nan 0.000 0.566 1005 P HA 0.103 nan 4.420 nan 0.000 0.268 1005 P C 0.520 177.794 177.300 -0.043 0.000 1.204 1005 P CA 0.135 63.203 63.100 -0.054 0.000 0.768 1005 P CB 1.758 33.422 31.700 -0.060 0.000 0.842 1006 A N 3.985 126.775 122.820 -0.051 0.000 1.930 1006 A HA 0.045 4.365 4.320 0.000 0.000 0.217 1006 A C 1.154 178.719 177.584 -0.032 0.000 1.175 1006 A CA 1.027 53.048 52.037 -0.025 0.000 0.627 1006 A CB -0.395 18.620 19.000 0.025 0.000 0.815 1006 A HN 0.574 nan 8.150 nan 0.000 0.443 1007 L N -1.354 119.830 121.223 -0.065 0.000 2.327 1007 L HA 0.441 4.781 4.340 0.000 0.000 0.258 1007 L C 0.149 176.953 176.870 -0.109 0.000 1.024 1007 L CA -0.758 54.025 54.840 -0.096 0.000 0.825 1007 L CB 2.378 44.339 42.059 -0.164 0.000 1.386 1007 L HN 0.210 nan 8.230 nan 0.000 0.417 1008 T N -3.263 111.232 114.554 -0.099 0.000 2.927 1008 T HA 0.384 4.734 4.350 0.000 0.000 0.281 1008 T C -2.181 172.451 174.700 -0.113 0.000 0.998 1008 T CA -1.918 60.130 62.100 -0.086 0.000 1.019 1008 T CB 1.748 70.582 68.868 -0.057 0.000 1.061 1008 T HN 0.277 nan 8.240 nan 0.000 0.518 1009 P HA -0.113 nan 4.420 nan 0.000 0.216 1009 P C 1.101 178.356 177.300 -0.075 0.000 1.150 1009 P CA 1.190 64.237 63.100 -0.088 0.000 0.843 1009 P CB 0.038 31.708 31.700 -0.051 0.000 0.787 1010 E N -0.586 119.581 120.200 -0.055 0.000 2.106 1010 E HA -0.181 4.169 4.350 0.000 0.000 0.192 1010 E C 2.145 178.720 176.600 -0.041 0.000 0.984 1010 E CA 1.094 57.473 56.400 -0.036 0.000 0.806 1010 E CB -0.761 28.924 29.700 -0.025 0.000 0.750 1010 E HN 0.405 nan 8.360 nan 0.000 0.458 1011 Q N 0.581 120.343 119.800 -0.063 0.000 2.079 1011 Q HA -0.097 4.243 4.340 0.000 0.000 0.200 1011 Q C 1.975 177.923 176.000 -0.087 0.000 0.974 1011 Q CA 1.139 56.905 55.803 -0.062 0.000 0.840 1011 Q CB -0.092 28.603 28.738 -0.071 0.000 0.898 1011 Q HN 0.203 nan 8.270 nan 0.000 0.430 1012 K N 0.993 121.277 120.400 -0.193 0.000 2.057 1012 K HA -0.154 4.166 4.320 0.000 0.000 0.206 1012 K C 2.102 178.705 176.600 0.005 0.000 1.050 1012 K CA 1.062 57.153 56.287 -0.326 0.000 0.935 1012 K CB -0.119 32.007 32.500 -0.623 0.000 0.715 1012 K HN 0.056 nan 8.250 nan 0.000 0.439 1013 K N 1.778 122.174 120.400 -0.007 0.000 2.009 1013 K HA -0.255 4.065 4.320 0.000 0.000 0.210 1013 K C 2.142 178.774 176.600 0.053 0.000 1.049 1013 K CA 1.859 58.170 56.287 0.039 0.000 0.929 1013 K CB -0.028 32.479 32.500 0.012 0.000 0.714 1013 K HN 0.136 nan 8.250 nan 0.000 0.440 1014 E N 0.502 120.724 120.200 0.036 0.000 2.110 1014 E HA -0.182 4.168 4.350 0.000 0.000 0.193 1014 E C 2.173 178.810 176.600 0.062 0.000 0.988 1014 E CA 0.998 57.422 56.400 0.040 0.000 0.804 1014 E CB -0.031 29.686 29.700 0.029 0.000 0.745 1014 E HN 0.367 nan 8.360 nan 0.000 0.458 1015 L N 0.759 122.037 121.223 0.091 0.000 2.017 1015 L HA -0.190 4.150 4.340 0.000 0.000 0.208 1015 L C 2.848 179.785 176.870 0.111 0.000 1.073 1015 L CA 1.550 56.463 54.840 0.122 0.000 0.745 1015 L CB -0.566 41.616 42.059 0.204 0.000 0.894 1015 L HN 0.225 nan 8.230 nan 0.000 0.432 1016 S N -1.094 114.699 115.700 0.155 0.000 2.383 1016 S HA -0.172 4.298 4.470 0.000 0.000 0.227 1016 S C 1.551 176.172 174.600 0.035 0.000 1.026 1016 S CA 1.170 59.420 58.200 0.084 0.000 0.981 1016 S CB -0.446 62.824 63.200 0.118 0.000 0.818 1016 S HN 0.338 nan 8.310 nan 0.000 0.472 1017 D N 1.966 122.391 120.400 0.041 0.000 2.123 1017 D HA 0.007 4.647 4.640 0.000 0.000 0.196 1017 D C 1.851 178.152 176.300 0.002 0.000 0.992 1017 D CA 1.151 55.163 54.000 0.019 0.000 0.833 1017 D CB -0.387 40.427 40.800 0.023 0.000 0.954 1017 D HN 0.479 nan 8.370 nan 0.000 0.455 1018 I N 0.837 121.412 120.570 0.008 0.000 2.233 1018 I HA -0.188 3.982 4.170 0.000 0.000 0.243 1018 I C 2.469 178.545 176.117 -0.067 0.000 1.093 1018 I CA 0.897 62.191 61.300 -0.011 0.000 1.380 1018 I CB -0.261 37.755 38.000 0.026 0.000 1.067 1018 I HN -0.085 nan 8.210 nan 0.000 0.413 1019 A N 0.361 123.142 122.820 -0.064 0.000 1.908 1019 A HA -0.270 4.050 4.320 0.000 0.000 0.218 1019 A C 2.277 179.791 177.584 -0.116 0.000 1.181 1019 A CA 1.749 53.719 52.037 -0.111 0.000 0.627 1019 A CB -0.631 18.321 19.000 -0.081 0.000 0.818 1019 A HN 0.503 nan 8.150 nan 0.000 0.445 1020 Q N -1.374 118.382 119.800 -0.074 0.000 2.123 1020 Q HA -0.112 4.228 4.340 0.000 0.000 0.199 1020 Q C 2.357 178.312 176.000 -0.075 0.000 0.966 1020 Q CA 1.233 56.996 55.803 -0.065 0.000 0.845 1020 Q CB -0.154 28.562 28.738 -0.037 0.000 0.907 1020 Q HN 0.701 nan 8.270 nan 0.000 0.439 1021 R N 0.978 121.437 120.500 -0.069 0.000 2.096 1021 R HA -0.119 4.221 4.340 0.000 0.000 0.235 1021 R C 2.100 178.339 176.300 -0.102 0.000 1.127 1021 R CA 1.066 57.126 56.100 -0.066 0.000 0.968 1021 R CB -0.129 30.145 30.300 -0.044 0.000 0.861 1021 R HN 0.225 nan 8.270 nan 0.000 0.440 1022 I N 0.484 120.959 120.570 -0.158 0.000 2.286 1022 I HA -0.195 3.975 4.170 0.000 0.000 0.248 1022 I C 1.707 177.695 176.117 -0.216 0.000 1.115 1022 I CA 1.097 62.260 61.300 -0.229 0.000 1.392 1022 I CB 0.008 37.769 38.000 -0.398 0.000 1.065 1022 I HN 0.132 nan 8.210 nan 0.000 0.418 1023 V N -1.649 118.155 119.914 -0.184 0.000 3.376 1023 V HA 0.487 4.607 4.120 0.000 0.000 0.313 1023 V C 1.010 177.039 176.094 -0.108 0.000 1.393 1023 V CA -0.551 61.647 62.300 -0.169 0.000 1.125 1023 V CB -1.095 30.631 31.823 -0.163 0.000 1.037 1023 V HN 0.165 nan 8.190 nan 0.000 0.440 1024 A N 1.290 124.058 122.820 -0.087 0.000 2.466 1024 A HA 0.337 4.657 4.320 0.000 0.000 0.238 1024 A C 1.134 178.692 177.584 -0.042 0.000 1.074 1024 A CA 0.728 52.733 52.037 -0.053 0.000 0.774 1024 A CB -0.704 18.270 19.000 -0.044 0.000 1.015 1024 A HN 0.873 nan 8.150 nan 0.000 0.498 1025 N N -0.444 118.243 118.700 -0.022 0.000 2.717 1025 N HA -0.264 4.476 4.740 0.000 0.000 0.248 1025 N C 0.811 176.323 175.510 0.003 0.000 1.099 1025 N CA 1.638 54.684 53.050 -0.007 0.000 0.843 1025 N CB -1.095 37.389 38.487 -0.005 0.000 1.155 1025 N HN 2.067 nan 8.380 nan 0.000 0.580 1026 G N -0.721 108.074 108.800 -0.008 0.000 2.144 1026 G HA2 -0.311 3.649 3.960 0.000 0.000 0.218 1026 G HA3 -0.311 3.649 3.960 0.000 0.000 0.218 1026 G C -0.051 174.848 174.900 -0.001 0.000 0.988 1026 G CA 0.267 45.375 45.100 0.014 0.000 0.659 1026 G HN 0.410 nan 8.290 nan 0.000 0.522 1027 K N 0.261 120.623 120.400 -0.063 0.000 2.258 1027 K HA 0.516 4.836 4.320 0.000 0.000 0.264 1027 K C 1.069 177.442 176.600 -0.378 0.000 1.007 1027 K CA 0.415 56.630 56.287 -0.121 0.000 0.941 1027 K CB 0.907 33.345 32.500 -0.104 0.000 0.966 1027 K HN 0.321 nan 8.250 nan 0.000 0.480 1028 G N 1.018 109.423 108.800 -0.659 0.000 3.209 1028 G HA2 0.671 4.631 3.960 0.000 0.000 0.236 1028 G HA3 0.671 4.631 3.960 0.000 0.000 0.236 1028 G C -0.930 173.540 174.900 -0.717 0.000 1.329 1028 G CA -0.829 43.398 45.100 -1.456 0.000 1.015 1028 G HN 0.470 nan 8.290 nan 0.000 0.571 1029 I N 0.115 120.318 120.570 -0.613 0.000 2.545 1029 I HA 0.318 4.488 4.170 0.000 0.000 0.292 1029 I C -1.197 174.972 176.117 0.086 0.000 1.040 1029 I CA -0.752 60.453 61.300 -0.158 0.000 1.068 1029 I CB 2.291 40.218 38.000 -0.121 0.000 1.251 1029 I HN 0.250 nan 8.210 nan 0.000 0.424 1030 L N 6.317 127.638 121.223 0.163 0.000 2.255 1030 L HA 0.582 4.922 4.340 0.000 0.000 0.289 1030 L C 0.238 177.210 176.870 0.170 0.000 1.046 1030 L CA -0.047 54.936 54.840 0.238 0.000 0.816 1030 L CB 0.993 43.208 42.059 0.259 0.000 1.197 1030 L HN 0.687 nan 8.230 nan 0.000 0.427 1031 A N 5.185 128.116 122.820 0.186 0.000 2.922 1031 A HA 0.640 4.960 4.320 0.000 0.000 0.298 1031 A C 0.686 178.342 177.584 0.120 0.000 1.588 1031 A CA 0.143 52.267 52.037 0.146 0.000 1.288 1031 A CB -0.412 18.683 19.000 0.158 0.000 1.130 1031 A HN 1.005 nan 8.150 nan 0.000 0.557 1032 A N 2.606 125.486 122.820 0.101 0.000 3.181 1032 A HA 0.403 4.723 4.320 0.000 0.000 0.293 1032 A C 0.500 178.143 177.584 0.097 0.000 1.346 1032 A CA 0.104 52.198 52.037 0.095 0.000 1.018 1032 A CB -0.293 18.783 19.000 0.126 0.000 1.093 1032 A HN 0.678 nan 8.150 nan 0.000 0.629 1033 D N -0.790 119.662 120.400 0.086 0.000 2.388 1033 D HA 0.089 4.729 4.640 0.000 0.000 0.221 1033 D C -0.360 175.965 176.300 0.042 0.000 1.133 1033 D CA -0.201 53.868 54.000 0.115 0.000 0.831 1033 D CB -0.264 40.598 40.800 0.103 0.000 0.962 1033 D HN 0.354 nan 8.370 nan 0.000 0.502 1034 E N 1.166 121.345 120.200 -0.034 0.000 2.480 1034 E HA 0.130 4.480 4.350 0.000 0.000 0.258 1034 E C 0.715 177.062 176.600 -0.421 0.000 0.984 1034 E CA -0.026 56.286 56.400 -0.146 0.000 0.930 1034 E CB 0.506 30.147 29.700 -0.100 0.000 0.936 1034 E HN 0.304 nan 8.360 nan 0.000 0.466 1035 S N 1.685 117.036 115.700 -0.581 0.000 2.617 1035 S HA 0.025 4.495 4.470 0.000 0.000 0.255 1035 S C 1.374 175.532 174.600 -0.736 0.000 1.318 1035 S CA -0.678 56.809 58.200 -1.188 0.000 0.978 1035 S CB 0.654 63.492 63.200 -0.603 0.000 0.961 1035 S HN 0.297 nan 8.310 nan 0.000 0.582 1036 V N 1.832 121.377 119.914 -0.614 0.000 2.252 1036 V HA -0.141 3.980 4.120 0.000 0.000 0.249 1036 V C 2.824 178.827 176.094 -0.152 0.000 1.056 1036 V CA 2.486 64.652 62.300 -0.222 0.000 1.022 1036 V CB -2.014 29.784 31.823 -0.042 0.000 0.641 1036 V HN 1.058 nan 8.190 nan 0.000 0.445 1037 G N -0.425 108.295 108.800 -0.134 0.000 2.514 1037 G HA2 -0.292 3.668 3.960 0.000 0.000 0.217 1037 G HA3 -0.292 3.668 3.960 0.000 0.000 0.217 1037 G C 1.687 176.529 174.900 -0.097 0.000 1.198 1037 G CA 1.723 46.770 45.100 -0.088 0.000 0.780 1037 G HN 0.473 nan 8.290 nan 0.000 0.565 1038 T N 0.920 115.398 114.554 -0.126 0.000 2.699 1038 T HA -0.205 4.145 4.350 0.000 0.000 0.268 1038 T C 2.308 176.948 174.700 -0.100 0.000 1.036 1038 T CA 1.710 63.746 62.100 -0.107 0.000 1.147 1038 T CB -0.226 68.570 68.868 -0.118 0.000 0.862 1038 T HN 0.171 nan 8.240 nan 0.000 0.446 1039 M N 1.509 121.033 119.600 -0.128 0.000 2.296 1039 M HA 0.121 4.601 4.480 0.000 0.000 0.265 1039 M C 2.219 178.477 176.300 -0.071 0.000 1.064 1039 M CA 1.054 56.295 55.300 -0.099 0.000 1.109 1039 M CB -0.929 31.608 32.600 -0.105 0.000 1.396 1039 M HN 0.259 nan 8.290 nan 0.000 0.430 1040 G N -0.173 108.588 108.800 -0.065 0.000 2.422 1040 G HA2 -0.234 3.726 3.960 0.000 0.000 0.218 1040 G HA3 -0.234 3.726 3.960 0.000 0.000 0.218 1040 G C 1.471 176.345 174.900 -0.043 0.000 1.146 1040 G CA 0.846 45.920 45.100 -0.042 0.000 0.769 1040 G HN 0.465 nan 8.290 nan 0.000 0.547 1041 N N 0.526 119.196 118.700 -0.050 0.000 2.166 1041 N HA -0.059 4.681 4.740 0.000 0.000 0.186 1041 N C 2.387 177.867 175.510 -0.050 0.000 1.019 1041 N CA 0.639 53.662 53.050 -0.045 0.000 0.856 1041 N CB -0.215 38.245 38.487 -0.045 0.000 0.993 1041 N HN 0.156 nan 8.380 nan 0.000 0.426 1042 R N 1.140 121.603 120.500 -0.062 0.000 2.070 1042 R HA 0.028 4.368 4.340 0.000 0.000 0.232 1042 R C 2.425 178.677 176.300 -0.080 0.000 1.138 1042 R CA 0.632 56.684 56.100 -0.079 0.000 0.936 1042 R CB -1.250 28.987 30.300 -0.106 0.000 0.839 1042 R HN 0.295 nan 8.270 nan 0.000 0.429 1043 L N 0.979 122.162 121.223 -0.067 0.000 2.127 1043 L HA -0.181 4.159 4.340 0.000 0.000 0.211 1043 L C 2.742 179.592 176.870 -0.033 0.000 1.089 1043 L CA 1.250 56.070 54.840 -0.033 0.000 0.757 1043 L CB -0.475 41.588 42.059 0.006 0.000 0.899 1043 L HN 0.282 nan 8.230 nan 0.000 0.434 1044 Q N 0.022 119.800 119.800 -0.036 0.000 2.124 1044 Q HA -0.244 4.096 4.340 0.000 0.000 0.202 1044 Q C 2.322 178.300 176.000 -0.037 0.000 0.977 1044 Q CA 1.385 57.168 55.803 -0.034 0.000 0.850 1044 Q CB 0.014 28.733 28.738 -0.031 0.000 0.901 1044 Q HN 0.316 nan 8.270 nan 0.000 0.429 1045 R N 0.592 121.068 120.500 -0.040 0.000 2.193 1045 R HA -0.095 4.245 4.340 0.000 0.000 0.229 1045 R C 1.578 177.855 176.300 -0.038 0.000 1.110 1045 R CA 1.053 57.130 56.100 -0.038 0.000 0.988 1045 R CB -0.048 30.228 30.300 -0.039 0.000 0.871 1045 R HN 0.408 nan 8.270 nan 0.000 0.458 1046 I N -2.768 117.776 120.570 -0.043 0.000 3.914 1046 I HA 0.253 4.423 4.170 0.000 0.000 0.333 1046 I C -0.582 175.495 176.117 -0.066 0.000 1.449 1046 I CA -0.401 60.870 61.300 -0.048 0.000 1.135 1046 I CB 0.288 38.264 38.000 -0.040 0.000 1.073 1046 I HN -0.057 nan 8.210 nan 0.000 0.401 1047 K N 0.671 121.037 120.400 -0.057 0.000 3.117 1047 K HA -0.100 4.220 4.320 0.000 0.000 0.269 1047 K C -0.441 176.114 176.600 -0.075 0.000 1.098 1047 K CA 0.338 56.589 56.287 -0.060 0.000 0.785 1047 K CB -1.717 30.747 32.500 -0.060 0.000 1.242 1047 K HN 0.359 nan 8.250 nan 0.000 0.491 1048 V N 0.661 120.533 119.914 -0.071 0.000 2.667 1048 V HA 0.237 4.357 4.120 0.000 0.000 0.308 1048 V C 0.386 176.461 176.094 -0.032 0.000 1.048 1048 V CA -0.788 61.466 62.300 -0.076 0.000 0.928 1048 V CB 1.933 33.699 31.823 -0.095 0.000 1.004 1048 V HN 0.189 nan 8.190 nan 0.000 0.444 1049 E N 2.724 122.910 120.200 -0.024 0.000 2.354 1049 E HA 0.113 4.463 4.350 0.000 0.000 0.269 1049 E C -0.050 176.562 176.600 0.020 0.000 1.036 1049 E CA -0.048 56.350 56.400 -0.004 0.000 0.876 1049 E CB 0.547 30.244 29.700 -0.004 0.000 1.009 1049 E HN 0.602 nan 8.360 nan 0.000 0.416 1050 N N 2.367 121.076 118.700 0.015 0.000 2.555 1050 N HA 0.121 4.861 4.740 0.000 0.000 0.244 1050 N C -1.801 173.729 175.510 0.034 0.000 1.114 1050 N CA -0.121 52.942 53.050 0.022 0.000 0.963 1050 N CB -0.029 38.460 38.487 0.004 0.000 1.276 1050 N HN 0.408 nan 8.380 nan 0.000 0.510 1051 S N 0.751 116.483 115.700 0.054 0.000 2.570 1051 S HA 0.277 4.747 4.470 0.000 0.000 0.286 1051 S C 0.864 175.513 174.600 0.082 0.000 1.099 1051 S CA -0.896 57.340 58.200 0.060 0.000 0.913 1051 S CB 1.803 65.036 63.200 0.055 0.000 1.085 1051 S HN 0.484 nan 8.310 nan 0.000 0.480 1052 E N 0.527 120.778 120.200 0.086 0.000 2.187 1052 E HA -0.282 4.068 4.350 0.000 0.000 0.199 1052 E C 1.506 178.174 176.600 0.113 0.000 1.004 1052 E CA 1.781 58.245 56.400 0.107 0.000 0.813 1052 E CB -0.057 29.708 29.700 0.107 0.000 0.736 1052 E HN 0.739 nan 8.360 nan 0.000 0.468 1053 E N 0.662 120.924 120.200 0.103 0.000 2.072 1053 E HA -0.149 4.201 4.350 0.000 0.000 0.191 1053 E C 1.643 178.336 176.600 0.156 0.000 0.985 1053 E CA 1.509 57.977 56.400 0.113 0.000 0.801 1053 E CB -0.145 29.610 29.700 0.091 0.000 0.750 1053 E HN 0.237 nan 8.360 nan 0.000 0.452 1054 N N 0.193 118.996 118.700 0.172 0.000 2.216 1054 N HA -0.046 4.694 4.740 0.000 0.000 0.183 1054 N C 1.702 177.371 175.510 0.265 0.000 1.017 1054 N CA 0.824 54.045 53.050 0.284 0.000 0.861 1054 N CB -0.149 38.486 38.487 0.247 0.000 0.986 1054 N HN 0.162 nan 8.380 nan 0.000 0.428 1055 R N 0.701 121.294 120.500 0.155 0.000 2.070 1055 R HA -0.012 4.328 4.340 0.000 0.000 0.233 1055 R C 2.229 178.568 176.300 0.065 0.000 1.137 1055 R CA 0.941 57.098 56.100 0.094 0.000 0.945 1055 R CB -0.294 30.057 30.300 0.084 0.000 0.845 1055 R HN 0.209 nan 8.270 nan 0.000 0.430 1056 R N 1.214 121.782 120.500 0.113 0.000 2.103 1056 R HA -0.224 4.116 4.340 0.000 0.000 0.242 1056 R C 2.293 178.649 176.300 0.093 0.000 1.142 1056 R CA 1.884 58.074 56.100 0.150 0.000 0.960 1056 R CB -0.193 30.218 30.300 0.185 0.000 0.858 1056 R HN 0.320 nan 8.270 nan 0.000 0.439 1057 Q N -0.606 119.264 119.800 0.116 0.000 2.124 1057 Q HA -0.214 4.126 4.340 0.000 0.000 0.202 1057 Q C 1.889 177.805 176.000 -0.140 0.000 0.977 1057 Q CA 1.851 57.729 55.803 0.124 0.000 0.850 1057 Q CB -0.147 28.810 28.738 0.365 0.000 0.901 1057 Q HN 0.441 nan 8.270 nan 0.000 0.429 1058 F N 0.449 120.055 119.950 -0.574 0.000 2.098 1058 F HA -0.141 4.386 4.527 0.000 0.000 0.294 1058 F C 2.220 177.555 175.800 -0.774 0.000 1.107 1058 F CA 1.085 58.467 58.000 -1.030 0.000 1.234 1058 F CB 0.110 38.431 39.000 -1.131 0.000 1.002 1058 F HN -0.029 nan 8.300 nan 0.000 0.472 1059 R N 0.707 120.744 120.500 -0.771 0.000 2.127 1059 R HA -0.207 4.133 4.340 0.000 0.000 0.238 1059 R C 2.149 177.437 176.300 -1.687 0.000 1.134 1059 R CA 1.643 56.961 56.100 -1.304 0.000 0.975 1059 R CB -0.708 28.932 30.300 -1.100 0.000 0.865 1059 R HN 0.485 nan 8.270 nan 0.000 0.447 1060 E N 0.563 120.201 120.200 -0.937 0.000 2.058 1060 E HA -0.203 4.147 4.350 0.000 0.000 0.194 1060 E C 1.727 178.071 176.600 -0.425 0.000 0.997 1060 E CA 1.424 57.539 56.400 -0.474 0.000 0.801 1060 E CB -0.077 29.684 29.700 0.102 0.000 0.746 1060 E HN 0.327 nan 8.360 nan 0.000 0.450 1061 I N 0.960 121.243 120.570 -0.477 0.000 2.286 1061 I HA -0.287 3.883 4.170 0.000 0.000 0.248 1061 I C 2.384 178.251 176.117 -0.418 0.000 1.115 1061 I CA 0.818 61.894 61.300 -0.375 0.000 1.392 1061 I CB -0.226 37.527 38.000 -0.412 0.000 1.065 1061 I HN 0.228 nan 8.210 nan 0.000 0.418 1062 L N -0.366 120.425 121.223 -0.721 0.000 2.072 1062 L HA -0.154 4.186 4.340 0.000 0.000 0.205 1062 L C 2.418 179.214 176.870 -0.123 0.000 1.079 1062 L CA 1.092 55.559 54.840 -0.622 0.000 0.752 1062 L CB -0.577 40.892 42.059 -0.983 0.000 0.906 1062 L HN 0.159 nan 8.230 nan 0.000 0.436 1063 F N 0.071 119.792 119.950 -0.380 0.000 2.407 1063 F HA -0.075 4.452 4.527 0.000 0.000 0.299 1063 F C 2.545 178.302 175.800 -0.072 0.000 1.097 1063 F CA 1.080 58.945 58.000 -0.225 0.000 1.422 1063 F CB -1.689 37.100 39.000 -0.352 0.000 1.067 1063 F HN 0.183 nan 8.300 nan 0.000 0.539 1064 T N -2.947 111.670 114.554 0.106 0.000 3.122 1064 T HA 0.261 4.611 4.350 0.000 0.000 0.250 1064 T C 0.762 175.513 174.700 0.086 0.000 1.067 1064 T CA -0.021 62.141 62.100 0.104 0.000 0.966 1064 T CB -0.672 68.250 68.868 0.091 0.000 1.002 1064 T HN -0.060 nan 8.240 nan 0.000 0.542 1065 V N 2.131 122.107 119.914 0.103 0.000 3.432 1065 V HA 0.150 4.270 4.120 0.000 0.000 0.304 1065 V C 0.563 176.713 176.094 0.094 0.000 1.107 1065 V CA -0.272 62.096 62.300 0.113 0.000 1.153 1065 V CB 0.610 32.553 31.823 0.200 0.000 1.072 1065 V HN 0.608 nan 8.190 nan 0.000 0.485 1066 D N 2.609 123.053 120.400 0.074 0.000 2.571 1066 D HA -0.077 4.563 4.640 0.000 0.000 0.231 1066 D C 1.101 177.432 176.300 0.051 0.000 1.133 1066 D CA 1.006 55.038 54.000 0.054 0.000 0.862 1066 D CB 0.201 41.025 40.800 0.040 0.000 1.179 1066 D HN 0.625 nan 8.370 nan 0.000 0.474 1067 N N 1.574 120.300 118.700 0.044 0.000 2.503 1067 N HA -0.179 4.561 4.740 0.000 0.000 0.189 1067 N C 1.473 177.000 175.510 0.028 0.000 1.048 1067 N CA 0.634 53.707 53.050 0.039 0.000 0.905 1067 N CB 0.037 38.544 38.487 0.033 0.000 0.951 1067 N HN 0.244 nan 8.380 nan 0.000 0.446 1068 S N 0.702 116.415 115.700 0.023 0.000 2.419 1068 S HA -0.100 4.370 4.470 0.000 0.000 0.235 1068 S C 1.607 176.208 174.600 0.002 0.000 1.019 1068 S CA 0.825 59.032 58.200 0.011 0.000 0.982 1068 S CB -0.265 62.939 63.200 0.007 0.000 0.789 1068 S HN 0.422 nan 8.310 nan 0.000 0.490 1069 I N 2.454 123.027 120.570 0.004 0.000 2.657 1069 I HA -0.146 4.024 4.170 0.000 0.000 0.261 1069 I C 1.418 177.539 176.117 0.007 0.000 1.212 1069 I CA 1.381 62.675 61.300 -0.012 0.000 1.453 1069 I CB -1.577 36.430 38.000 0.011 0.000 1.092 1069 I HN 0.497 nan 8.210 nan 0.000 0.452 1070 N N 0.691 119.400 118.700 0.014 0.000 2.571 1070 N HA -0.150 4.590 4.740 0.000 0.000 0.189 1070 N C 1.527 177.039 175.510 0.004 0.000 1.154 1070 N CA 0.309 53.365 53.050 0.010 0.000 0.907 1070 N CB -0.262 38.231 38.487 0.010 0.000 0.977 1070 N HN 0.614 nan 8.380 nan 0.000 0.449 1071 Q N -0.275 119.527 119.800 0.004 0.000 2.396 1071 Q HA 0.160 4.500 4.340 0.000 0.000 0.209 1071 Q C 0.966 176.975 176.000 0.014 0.000 0.906 1071 Q CA 0.496 56.302 55.803 0.006 0.000 0.927 1071 Q CB 0.644 29.386 28.738 0.007 0.000 1.069 1071 Q HN 0.409 nan 8.270 nan 0.000 0.523 1072 S N -0.373 115.337 115.700 0.018 0.000 2.613 1072 S HA 0.204 4.674 4.470 0.000 0.000 0.235 1072 S C 0.453 175.100 174.600 0.079 0.000 1.073 1072 S CA -0.084 58.152 58.200 0.059 0.000 0.899 1072 S CB 0.975 64.197 63.200 0.036 0.000 0.818 1072 S HN 0.088 nan 8.310 nan 0.000 0.484 1073 I N 2.198 122.792 120.570 0.040 0.000 2.362 1073 I HA 0.422 4.592 4.170 0.000 0.000 0.289 1073 I C 1.111 177.217 176.117 -0.018 0.000 0.994 1073 I CA -0.101 61.219 61.300 0.032 0.000 1.158 1073 I CB 0.855 38.916 38.000 0.101 0.000 1.315 1073 I HN 0.258 nan 8.210 nan 0.000 0.451 1074 G N 4.132 112.886 108.800 -0.077 0.000 2.939 1074 G HA2 0.454 4.414 3.960 0.000 0.000 0.216 1074 G HA3 0.454 4.414 3.960 0.000 0.000 0.216 1074 G C 0.497 175.356 174.900 -0.069 0.000 1.125 1074 G CA 0.136 45.187 45.100 -0.083 0.000 0.766 1074 G HN 0.779 nan 8.290 nan 0.000 0.541 1075 G N -1.167 107.605 108.800 -0.046 0.000 2.698 1075 G HA2 0.504 4.464 3.960 0.000 0.000 0.293 1075 G HA3 0.504 4.464 3.960 0.000 0.000 0.293 1075 G C -2.146 172.834 174.900 0.134 0.000 1.437 1075 G CA -0.411 44.735 45.100 0.076 0.000 0.852 1075 G HN 0.408 nan 8.290 nan 0.000 0.499 1076 V N 1.182 121.214 119.914 0.197 0.000 2.668 1076 V HA 0.429 4.549 4.120 0.000 0.000 0.304 1076 V C -0.341 175.751 176.094 -0.003 0.000 1.071 1076 V CA -0.579 61.751 62.300 0.051 0.000 0.894 1076 V CB 1.748 33.469 31.823 -0.169 0.000 1.008 1076 V HN 0.707 nan 8.190 nan 0.000 0.425 1077 I N 5.392 125.979 120.570 0.029 0.000 2.342 1077 I HA 0.406 4.576 4.170 0.000 0.000 0.291 1077 I C -0.741 175.343 176.117 -0.056 0.000 1.010 1077 I CA -0.384 60.878 61.300 -0.063 0.000 1.308 1077 I CB 1.183 39.209 38.000 0.044 0.000 1.400 1077 I HN 0.297 nan 8.210 nan 0.000 0.488 1078 L N 6.469 127.620 121.223 -0.120 0.000 2.330 1078 L HA 0.485 4.825 4.340 0.000 0.000 0.271 1078 L C -0.494 176.395 176.870 0.033 0.000 1.013 1078 L CA -0.413 54.409 54.840 -0.030 0.000 0.816 1078 L CB 1.576 43.575 42.059 -0.100 0.000 1.287 1078 L HN 0.359 nan 8.230 nan 0.000 0.435 1079 F N 0.431 120.367 119.950 -0.023 0.000 2.384 1079 F HA 0.177 4.704 4.527 0.000 0.000 0.338 1079 F C 1.751 177.580 175.800 0.049 0.000 1.103 1079 F CA 0.012 58.022 58.000 0.018 0.000 1.157 1079 F CB 0.801 39.829 39.000 0.046 0.000 1.167 1079 F HN 0.767 nan 8.300 nan 0.000 0.529 1080 H N 2.481 121.142 119.070 -0.681 0.000 2.297 1080 H HA -0.305 4.251 4.556 0.000 0.000 0.289 1080 H C 2.149 177.369 175.328 -0.180 0.000 1.105 1080 H CA 2.679 58.489 56.048 -0.397 0.000 1.219 1080 H CB -0.131 29.407 29.762 -0.373 0.000 1.351 1080 H HN 0.846 nan 8.280 nan 0.000 0.481 1081 E N -0.874 119.248 120.200 -0.129 0.000 2.065 1081 E HA -0.235 4.115 4.350 0.000 0.000 0.201 1081 E C 1.899 178.595 176.600 0.161 0.000 1.016 1081 E CA 2.251 58.752 56.400 0.168 0.000 0.818 1081 E CB -0.218 29.699 29.700 0.361 0.000 0.749 1081 E HN 0.650 nan 8.360 nan 0.000 0.453 1082 T N 1.929 116.590 114.554 0.178 0.000 2.962 1082 T HA -0.076 4.274 4.350 0.000 0.000 0.270 1082 T C 1.744 176.516 174.700 0.120 0.000 1.088 1082 T CA 0.585 62.819 62.100 0.224 0.000 1.127 1082 T CB -0.126 68.898 68.868 0.259 0.000 0.883 1082 T HN 0.196 nan 8.240 nan 0.000 0.493 1083 L N 0.094 121.215 121.223 -0.169 0.000 2.265 1083 L HA -0.062 4.279 4.340 0.000 0.000 0.215 1083 L C 0.951 177.462 176.870 -0.598 0.000 1.117 1083 L CA 1.715 56.284 54.840 -0.451 0.000 0.782 1083 L CB -0.244 41.352 42.059 -0.772 0.000 0.914 1083 L HN 0.372 nan 8.230 nan 0.000 0.441 1084 Y N -1.200 119.086 120.300 -0.023 0.000 2.531 1084 Y HA 0.257 4.807 4.550 0.000 0.000 0.249 1084 Y C 1.169 177.055 175.900 -0.024 0.000 1.168 1084 Y CA -0.645 57.437 58.100 -0.030 0.000 1.226 1084 Y CB 0.094 38.519 38.460 -0.058 0.000 1.177 1084 Y HN 0.184 nan 8.280 nan 0.000 0.527 1085 Q N 0.785 120.636 119.800 0.085 0.000 2.308 1085 Q HA 0.434 4.774 4.340 0.000 0.000 0.207 1085 Q C -0.461 175.301 176.000 -0.396 0.000 1.035 1085 Q CA -0.360 55.410 55.803 -0.055 0.000 1.008 1085 Q CB 1.114 29.899 28.738 0.080 0.000 1.168 1085 Q HN 0.148 nan 8.270 nan 0.000 0.565 1086 K N 0.344 120.370 120.400 -0.623 0.000 2.480 1086 K HA 0.217 4.537 4.320 0.000 0.000 0.258 1086 K C -1.195 174.869 176.600 -0.893 0.000 0.990 1086 K CA -0.870 54.980 56.287 -0.729 0.000 0.857 1086 K CB 1.296 33.616 32.500 -0.300 0.000 1.384 1086 K HN 0.631 nan 8.250 nan 0.000 0.446 1087 D N -0.414 119.635 120.400 -0.585 0.000 2.440 1087 D HA 0.042 4.682 4.640 0.000 0.000 0.269 1087 D C 0.222 176.470 176.300 -0.086 0.000 1.249 1087 D CA -0.381 53.509 54.000 -0.182 0.000 1.055 1087 D CB 0.509 41.350 40.800 0.068 0.000 1.104 1087 D HN 0.291 nan 8.370 nan 0.000 0.561 1088 S N -1.294 114.408 115.700 0.003 0.000 2.660 1088 S HA -0.073 4.397 4.470 0.000 0.000 0.228 1088 S C 0.868 175.469 174.600 0.002 0.000 0.966 1088 S CA 0.442 58.647 58.200 0.009 0.000 0.940 1088 S CB -0.313 62.910 63.200 0.038 0.000 0.773 1088 S HN 0.421 nan 8.310 nan 0.000 0.535 1089 Q N -0.511 119.284 119.800 -0.007 0.000 2.139 1089 Q HA 0.359 4.699 4.340 0.000 0.000 0.219 1089 Q C 1.140 177.129 176.000 -0.018 0.000 0.805 1089 Q CA 0.164 55.965 55.803 -0.003 0.000 1.024 1089 Q CB 1.062 29.807 28.738 0.012 0.000 1.163 1089 Q HN 0.423 nan 8.270 nan 0.000 0.485 1090 G N 1.004 109.778 108.800 -0.043 0.000 2.184 1090 G HA2 -0.251 3.709 3.960 0.000 0.000 0.264 1090 G HA3 -0.251 3.709 3.960 0.000 0.000 0.264 1090 G C 0.035 174.900 174.900 -0.057 0.000 0.975 1090 G CA -0.096 44.974 45.100 -0.051 0.000 0.642 1090 G HN 0.059 nan 8.290 nan 0.000 0.536 1091 K N 0.507 120.873 120.400 -0.056 0.000 2.297 1091 K HA 0.428 4.748 4.320 0.000 0.000 0.286 1091 K C 0.939 177.485 176.600 -0.090 0.000 1.053 1091 K CA -0.476 55.789 56.287 -0.037 0.000 0.940 1091 K CB 1.161 33.667 32.500 0.010 0.000 1.019 1091 K HN 0.313 nan 8.250 nan 0.000 0.475 1092 L N 3.871 125.060 121.223 -0.056 0.000 2.455 1092 L HA -0.008 4.332 4.340 0.000 0.000 0.272 1092 L C 1.485 178.380 176.870 0.042 0.000 1.174 1092 L CA -0.272 54.528 54.840 -0.067 0.000 0.869 1092 L CB 0.095 42.148 42.059 -0.010 0.000 1.130 1092 L HN 0.524 nan 8.230 nan 0.000 0.474 1093 F N 2.382 122.370 119.950 0.064 0.000 2.091 1093 F HA -0.254 4.273 4.527 0.000 0.000 0.299 1093 F C 2.501 178.305 175.800 0.007 0.000 1.103 1093 F CA 1.788 59.859 58.000 0.120 0.000 1.228 1093 F CB -0.638 38.519 39.000 0.262 0.000 0.984 1093 F HN 0.571 nan 8.300 nan 0.000 0.477 1094 R N 0.187 120.778 120.500 0.152 0.000 2.127 1094 R HA -0.165 4.175 4.340 0.000 0.000 0.238 1094 R C 1.572 177.877 176.300 0.007 0.000 1.134 1094 R CA 1.825 57.928 56.100 0.003 0.000 0.975 1094 R CB -0.821 29.447 30.300 -0.053 0.000 0.865 1094 R HN 0.238 nan 8.270 nan 0.000 0.447 1095 N N 0.887 119.610 118.700 0.039 0.000 2.354 1095 N HA 0.031 4.771 4.740 0.000 0.000 0.179 1095 N C 1.885 177.422 175.510 0.045 0.000 1.021 1095 N CA 0.903 53.972 53.050 0.031 0.000 0.887 1095 N CB -0.005 38.499 38.487 0.029 0.000 0.974 1095 N HN 0.291 nan 8.380 nan 0.000 0.437 1096 I N 1.042 121.662 120.570 0.084 0.000 2.163 1096 I HA -0.227 3.943 4.170 0.000 0.000 0.240 1096 I C 2.053 178.200 176.117 0.050 0.000 1.081 1096 I CA 0.850 62.209 61.300 0.099 0.000 1.353 1096 I CB -0.250 37.869 38.000 0.198 0.000 1.054 1096 I HN 0.027 nan 8.210 nan 0.000 0.407 1097 L N 0.559 121.784 121.223 0.003 0.000 2.013 1097 L HA -0.263 4.077 4.340 0.000 0.000 0.212 1097 L C 2.577 179.429 176.870 -0.031 0.000 1.073 1097 L CA 1.698 56.498 54.840 -0.067 0.000 0.753 1097 L CB -0.655 41.292 42.059 -0.188 0.000 0.890 1097 L HN 0.189 nan 8.230 nan 0.000 0.432 1098 K N -0.115 120.274 120.400 -0.018 0.000 2.097 1098 K HA -0.181 4.139 4.320 0.000 0.000 0.206 1098 K C 1.984 178.588 176.600 0.007 0.000 1.049 1098 K CA 1.280 57.564 56.287 -0.005 0.000 0.933 1098 K CB -0.114 32.385 32.500 -0.002 0.000 0.717 1098 K HN 0.368 nan 8.250 nan 0.000 0.442 1099 E N 0.760 120.969 120.200 0.015 0.000 2.204 1099 E HA -0.170 4.180 4.350 0.000 0.000 0.195 1099 E C 1.452 178.063 176.600 0.018 0.000 0.990 1099 E CA 1.058 57.470 56.400 0.019 0.000 0.821 1099 E CB 0.117 29.834 29.700 0.027 0.000 0.750 1099 E HN 0.245 nan 8.360 nan 0.000 0.477 1100 K N -0.759 119.651 120.400 0.017 0.000 2.426 1100 K HA 0.064 4.384 4.320 0.000 0.000 0.193 1100 K C 0.840 177.446 176.600 0.010 0.000 1.028 1100 K CA 0.498 56.795 56.287 0.017 0.000 1.047 1100 K CB 0.738 33.252 32.500 0.023 0.000 0.821 1100 K HN 0.187 nan 8.250 nan 0.000 0.513 1101 G N 2.047 110.851 108.800 0.006 0.000 2.165 1101 G HA2 -0.218 3.742 3.960 0.000 0.000 0.226 1101 G HA3 -0.218 3.742 3.960 0.000 0.000 0.226 1101 G C -0.144 174.755 174.900 -0.001 0.000 1.035 1101 G CA -0.408 44.694 45.100 0.003 0.000 0.744 1101 G HN 0.191 nan 8.290 nan 0.000 0.501 1102 I N 0.637 121.205 120.570 -0.004 0.000 2.377 1102 I HA 0.380 4.550 4.170 0.000 0.000 0.293 1102 I C 0.752 176.875 176.117 0.009 0.000 0.987 1102 I CA -1.249 60.047 61.300 -0.007 0.000 1.185 1102 I CB 1.880 39.864 38.000 -0.026 0.000 1.341 1102 I HN -0.108 nan 8.210 nan 0.000 0.455 1103 V N 7.067 127.012 119.914 0.051 0.000 2.530 1103 V HA 0.148 4.268 4.120 0.000 0.000 0.282 1103 V C 0.300 176.526 176.094 0.220 0.000 1.048 1103 V CA -0.496 61.890 62.300 0.142 0.000 0.997 1103 V CB 1.335 33.264 31.823 0.176 0.000 0.987 1103 V HN 0.377 nan 8.190 nan 0.000 0.477 1104 V N 4.424 124.375 119.914 0.061 0.000 2.439 1104 V HA 0.762 4.882 4.120 0.000 0.000 0.282 1104 V C 0.756 176.523 176.094 -0.544 0.000 1.039 1104 V CA 0.129 62.328 62.300 -0.168 0.000 0.913 1104 V CB 1.349 33.062 31.823 -0.185 0.000 0.983 1104 V HN 1.035 nan 8.190 nan 0.000 0.460 1105 G N 3.418 111.620 108.800 -0.997 0.000 2.600 1105 G HA2 0.777 4.737 3.960 0.000 0.000 0.303 1105 G HA3 0.777 4.737 3.960 0.000 0.000 0.303 1105 G C -1.723 172.728 174.900 -0.749 0.000 1.253 1105 G CA -0.588 43.566 45.100 -1.577 0.000 0.974 1105 G HN 0.560 nan 8.290 nan 0.000 0.483 1106 I N -0.521 119.690 120.570 -0.598 0.000 2.656 1106 I HA 0.431 4.601 4.170 0.000 0.000 0.292 1106 I C -0.151 175.810 176.117 -0.259 0.000 1.144 1106 I CA -1.069 59.960 61.300 -0.450 0.000 1.038 1106 I CB 2.213 39.763 38.000 -0.750 0.000 1.244 1106 I HN 0.461 nan 8.210 nan 0.000 0.420 1107 K N 6.696 127.008 120.400 -0.147 0.000 2.379 1107 K HA 0.258 4.578 4.320 0.000 0.000 0.284 1107 K C -0.282 176.290 176.600 -0.047 0.000 1.044 1107 K CA 0.093 56.352 56.287 -0.048 0.000 0.974 1107 K CB 0.517 33.033 32.500 0.028 0.000 0.962 1107 K HN 0.798 nan 8.250 nan 0.000 0.474 1108 L N 2.850 124.077 121.223 0.007 0.000 2.609 1108 L HA 0.092 4.433 4.340 0.000 0.000 0.230 1108 L C 0.298 177.105 176.870 -0.105 0.000 1.087 1108 L CA -0.256 54.642 54.840 0.097 0.000 0.874 1108 L CB 0.108 42.398 42.059 0.384 0.000 1.114 1108 L HN 0.765 nan 8.230 nan 0.000 0.488 1109 D N -1.030 119.080 120.400 -0.485 0.000 2.354 1109 D HA 0.092 4.732 4.640 0.000 0.000 0.247 1109 D C 0.080 176.071 176.300 -0.514 0.000 1.138 1109 D CA -0.396 52.965 54.000 -1.064 0.000 0.958 1109 D CB 0.743 40.543 40.800 -1.666 0.000 1.144 1109 D HN -0.036 nan 8.370 nan 0.000 0.458 1110 Q N 0.509 120.030 119.800 -0.464 0.000 2.263 1110 Q HA 0.378 4.718 4.340 0.000 0.000 0.337 1110 Q C 0.091 175.984 176.000 -0.179 0.000 0.906 1110 Q CA -0.439 55.236 55.803 -0.213 0.000 1.124 1110 Q CB 1.007 29.674 28.738 -0.118 0.000 1.255 1110 Q HN 0.806 nan 8.270 nan 0.000 0.435 1111 G N -0.163 108.499 108.800 -0.229 0.000 2.828 1111 G HA2 -0.139 3.821 3.960 0.000 0.000 0.463 1111 G HA3 -0.139 3.821 3.960 0.000 0.000 0.463 1111 G C -0.072 174.751 174.900 -0.129 0.000 1.394 1111 G CA -0.733 44.275 45.100 -0.153 0.000 0.862 1111 G HN 0.437 nan 8.290 nan 0.000 0.540 1112 G N -0.976 107.779 108.800 -0.075 0.000 2.437 1112 G HA2 0.940 4.900 3.960 0.000 0.000 0.319 1112 G HA3 0.940 4.900 3.960 0.000 0.000 0.319 1112 G C 0.013 174.904 174.900 -0.015 0.000 1.158 1112 G CA 0.494 45.572 45.100 -0.037 0.000 0.899 1112 G HN 2.125 nan 8.290 nan 0.000 0.502 1113 A N 1.443 124.265 122.820 0.005 0.000 2.393 1113 A HA 0.838 5.158 4.320 0.000 0.000 0.306 1113 A C -2.823 174.770 177.584 0.015 0.000 1.050 1113 A CA -1.496 50.547 52.037 0.011 0.000 0.724 1113 A CB 1.871 20.884 19.000 0.021 0.000 1.248 1113 A HN 0.463 nan 8.150 nan 0.000 0.424 1114 P HA 0.251 nan 4.420 nan 0.000 0.268 1114 P C -0.922 176.388 177.300 0.017 0.000 1.204 1114 P CA 0.243 63.351 63.100 0.013 0.000 0.768 1114 P CB 0.402 32.108 31.700 0.011 0.000 0.842 1115 L N 2.610 123.843 121.223 0.017 0.000 2.262 1115 L HA 0.484 4.824 4.340 0.000 0.000 0.288 1115 L C 0.661 177.540 176.870 0.015 0.000 1.035 1115 L CA -0.855 53.996 54.840 0.018 0.000 0.820 1115 L CB 0.981 43.051 42.059 0.019 0.000 1.204 1115 L HN 0.392 nan 8.230 nan 0.000 0.424 1116 A N 2.546 125.374 122.820 0.015 0.000 2.462 1116 A HA 0.486 4.806 4.320 0.000 0.000 0.243 1116 A C 1.178 178.770 177.584 0.013 0.000 1.076 1116 A CA 0.584 52.629 52.037 0.013 0.000 0.773 1116 A CB 0.171 19.179 19.000 0.013 0.000 1.010 1116 A HN 1.113 nan 8.150 nan 0.000 0.493 1117 G N 1.113 109.921 108.800 0.012 0.000 2.160 1117 G HA2 -0.035 3.925 3.960 0.000 0.000 0.244 1117 G HA3 -0.035 3.925 3.960 0.000 0.000 0.244 1117 G C 0.330 175.239 174.900 0.014 0.000 1.022 1117 G CA 1.160 46.268 45.100 0.012 0.000 0.741 1117 G HN 2.321 nan 8.290 nan 0.000 0.508 1118 T N -3.307 111.255 114.554 0.014 0.000 2.831 1118 T HA 0.628 4.978 4.350 0.000 0.000 0.287 1118 T C -0.269 174.440 174.700 0.015 0.000 1.070 1118 T CA -0.328 61.781 62.100 0.015 0.000 1.010 1118 T CB 1.936 70.813 68.868 0.015 0.000 1.264 1118 T HN 0.316 nan 8.240 nan 0.000 0.532 1119 N N 0.955 119.665 118.700 0.016 0.000 2.918 1119 N HA 0.196 4.936 4.740 0.000 0.000 0.247 1119 N C -0.555 174.964 175.510 0.015 0.000 1.117 1119 N CA -0.369 52.691 53.050 0.016 0.000 1.005 1119 N CB -0.915 37.583 38.487 0.018 0.000 1.297 1119 N HN 0.752 nan 8.380 nan 0.000 0.513 1120 K N 0.471 120.879 120.400 0.013 0.000 3.077 1120 K HA -0.236 4.084 4.320 0.000 0.000 0.264 1120 K C -0.767 175.840 176.600 0.012 0.000 1.008 1120 K CA 0.771 57.065 56.287 0.012 0.000 0.740 1120 K CB -1.221 31.287 32.500 0.012 0.000 1.273 1120 K HN 0.662 nan 8.250 nan 0.000 0.477 1121 E N 0.408 120.615 120.200 0.012 0.000 2.222 1121 E HA 0.371 4.721 4.350 0.000 0.000 0.272 1121 E C 0.487 177.095 176.600 0.013 0.000 0.982 1121 E CA -0.501 55.906 56.400 0.012 0.000 0.842 1121 E CB 1.578 31.286 29.700 0.013 0.000 1.144 1121 E HN 0.342 nan 8.360 nan 0.000 0.397 1122 T N -1.529 113.033 114.554 0.014 0.000 2.910 1122 T HA 0.603 4.953 4.350 0.000 0.000 0.287 1122 T C -0.095 174.621 174.700 0.027 0.000 1.050 1122 T CA -0.713 61.397 62.100 0.017 0.000 1.011 1122 T CB 1.968 70.843 68.868 0.010 0.000 1.195 1122 T HN 0.369 nan 8.240 nan 0.000 0.540 1123 T N -0.422 114.154 114.554 0.037 0.000 2.831 1123 T HA 0.681 5.031 4.350 0.000 0.000 0.287 1123 T C -1.501 173.244 174.700 0.075 0.000 1.070 1123 T CA -0.923 61.214 62.100 0.062 0.000 1.010 1123 T CB 1.104 70.009 68.868 0.062 0.000 1.264 1123 T HN 0.610 nan 8.240 nan 0.000 0.532 1124 I N 2.368 123.025 120.570 0.146 0.000 2.569 1124 I HA 0.428 4.598 4.170 0.000 0.000 0.296 1124 I C 0.193 176.436 176.117 0.210 0.000 1.028 1124 I CA -0.738 60.641 61.300 0.131 0.000 1.082 1124 I CB 1.811 39.905 38.000 0.157 0.000 1.264 1124 I HN 0.758 nan 8.210 nan 0.000 0.429 1125 Q N 2.367 122.198 119.800 0.051 0.000 2.193 1125 Q HA 0.681 5.021 4.340 0.000 0.000 0.246 1125 Q C 0.593 176.615 176.000 0.038 0.000 0.959 1125 Q CA -0.439 55.420 55.803 0.094 0.000 0.904 1125 Q CB 1.996 30.750 28.738 0.026 0.000 1.238 1125 Q HN 0.988 nan 8.270 nan 0.000 0.469 1126 G N -0.269 108.650 108.800 0.199 0.000 2.613 1126 G HA2 -0.174 3.786 3.960 0.000 0.000 0.199 1126 G HA3 -0.174 3.786 3.960 0.000 0.000 0.199 1126 G C 0.531 175.699 174.900 0.446 0.000 0.991 1126 G CA -0.332 44.906 45.100 0.229 0.000 0.756 1126 G HN 0.494 nan 8.290 nan 0.000 0.515 1127 L N 0.961 122.437 121.223 0.421 0.000 2.156 1127 L HA 0.148 4.488 4.340 0.000 0.000 0.208 1127 L C 0.524 177.494 176.870 0.165 0.000 1.095 1127 L CA 0.621 55.616 54.840 0.257 0.000 0.770 1127 L CB -0.358 41.789 42.059 0.148 0.000 0.914 1127 L HN 0.075 nan 8.230 nan 0.000 0.439 1128 D N 1.340 121.822 120.400 0.136 0.000 2.412 1128 D HA 0.198 4.838 4.640 0.000 0.000 0.257 1128 D C 1.215 177.565 176.300 0.083 0.000 1.217 1128 D CA 1.171 55.224 54.000 0.089 0.000 0.897 1128 D CB 0.652 41.493 40.800 0.068 0.000 1.132 1128 D HN 0.333 nan 8.370 nan 0.000 0.493 1129 G N 2.089 110.930 108.800 0.067 0.000 2.153 1129 G HA2 -0.343 3.617 3.960 0.000 0.000 0.252 1129 G HA3 -0.343 3.617 3.960 0.000 0.000 0.252 1129 G C 0.972 175.919 174.900 0.078 0.000 0.994 1129 G CA 0.411 45.544 45.100 0.054 0.000 0.698 1129 G HN 0.511 nan 8.290 nan 0.000 0.521 1130 L N 0.854 122.147 121.223 0.117 0.000 2.131 1130 L HA 0.154 4.494 4.340 0.000 0.000 0.210 1130 L C 2.671 179.615 176.870 0.123 0.000 1.092 1130 L CA 3.003 57.942 54.840 0.164 0.000 0.759 1130 L CB -0.662 41.529 42.059 0.219 0.000 0.903 1130 L HN 0.302 nan 8.230 nan 0.000 0.435 1131 S N -0.732 115.016 115.700 0.080 0.000 2.348 1131 S HA -0.194 4.276 4.470 0.000 0.000 0.221 1131 S C 1.821 176.447 174.600 0.043 0.000 1.033 1131 S CA 1.486 59.720 58.200 0.056 0.000 1.010 1131 S CB -0.147 63.075 63.200 0.036 0.000 0.891 1131 S HN 0.560 nan 8.310 nan 0.000 0.442 1132 E N 0.819 121.035 120.200 0.026 0.000 2.085 1132 E HA -0.085 4.265 4.350 0.000 0.000 0.194 1132 E C 2.294 178.878 176.600 -0.026 0.000 0.994 1132 E CA 1.104 57.504 56.400 -0.000 0.000 0.801 1132 E CB -0.132 29.563 29.700 -0.009 0.000 0.743 1132 E HN 0.366 nan 8.360 nan 0.000 0.453 1133 R N -0.462 120.026 120.500 -0.021 0.000 2.081 1133 R HA -0.081 4.259 4.340 0.000 0.000 0.235 1133 R C 2.356 178.631 176.300 -0.041 0.000 1.131 1133 R CA 1.408 57.441 56.100 -0.112 0.000 0.960 1133 R CB -0.538 29.759 30.300 -0.005 0.000 0.856 1133 R HN 0.251 nan 8.270 nan 0.000 0.436 1134 C N -0.245 119.140 119.300 0.142 0.000 2.446 1134 C HA -0.028 4.432 4.460 0.000 0.000 0.277 1134 C C 2.874 177.946 174.990 0.136 0.000 1.275 1134 C CA 0.728 59.878 59.018 0.220 0.000 1.727 1134 C CB -0.877 26.958 27.740 0.157 0.000 2.010 1134 C HN 0.615 nan 8.230 nan 0.000 0.486 1135 A N -0.182 122.677 122.820 0.064 0.000 1.902 1135 A HA -0.244 4.076 4.320 0.000 0.000 0.217 1135 A C 2.064 179.667 177.584 0.032 0.000 1.181 1135 A CA 2.140 54.202 52.037 0.042 0.000 0.623 1135 A CB -0.666 18.346 19.000 0.020 0.000 0.818 1135 A HN 0.573 nan 8.150 nan 0.000 0.443 1136 Q N -1.107 118.683 119.800 -0.017 0.000 2.050 1136 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 1136 Q C 1.764 177.774 176.000 0.016 0.000 0.980 1136 Q CA 2.025 57.799 55.803 -0.048 0.000 0.840 1136 Q CB -0.631 28.015 28.738 -0.154 0.000 0.898 1136 Q HN 0.679 nan 8.270 nan 0.000 0.424 1137 Y N 0.383 120.722 120.300 0.064 0.000 2.207 1137 Y HA -0.192 4.358 4.550 0.000 0.000 0.287 1137 Y C 2.189 178.095 175.900 0.010 0.000 1.156 1137 Y CA 1.584 59.706 58.100 0.036 0.000 1.182 1137 Y CB -0.513 37.961 38.460 0.023 0.000 0.979 1137 Y HN 0.111 nan 8.280 nan 0.000 0.521 1138 K N 0.920 121.427 120.400 0.178 0.000 2.057 1138 K HA -0.159 4.162 4.320 0.000 0.000 0.207 1138 K C 1.794 178.438 176.600 0.074 0.000 1.049 1138 K CA 1.644 57.992 56.287 0.101 0.000 0.931 1138 K CB -0.195 32.352 32.500 0.079 0.000 0.714 1138 K HN 0.190 nan 8.250 nan 0.000 0.440 1139 K N 0.166 120.608 120.400 0.070 0.000 2.097 1139 K HA -0.083 4.237 4.320 0.000 0.000 0.205 1139 K C 0.661 177.300 176.600 0.063 0.000 1.050 1139 K CA 1.345 57.664 56.287 0.054 0.000 0.938 1139 K CB -0.027 32.499 32.500 0.043 0.000 0.718 1139 K HN 0.197 nan 8.250 nan 0.000 0.442 1140 D N -0.154 120.301 120.400 0.092 0.000 2.323 1140 D HA 0.047 4.687 4.640 0.000 0.000 0.239 1140 D C 0.821 177.141 176.300 0.033 0.000 1.129 1140 D CA 0.524 54.580 54.000 0.092 0.000 0.865 1140 D CB 0.436 41.338 40.800 0.171 0.000 0.913 1140 D HN 0.417 nan 8.370 nan 0.000 0.517 1141 G N -0.082 108.735 108.800 0.029 0.000 2.157 1141 G HA2 -0.275 3.685 3.960 0.000 0.000 0.248 1141 G HA3 -0.275 3.685 3.960 0.000 0.000 0.248 1141 G C 0.371 175.254 174.900 -0.029 0.000 0.979 1141 G CA 0.083 45.182 45.100 -0.001 0.000 0.650 1141 G HN 0.305 nan 8.290 nan 0.000 0.529 1142 V N 0.756 120.654 119.914 -0.027 0.000 2.509 1142 V HA 0.463 4.583 4.120 0.000 0.000 0.284 1142 V C 0.710 176.786 176.094 -0.029 0.000 1.047 1142 V CA 0.110 62.352 62.300 -0.097 0.000 0.952 1142 V CB 1.715 33.438 31.823 -0.167 0.000 0.988 1142 V HN 0.213 nan 8.190 nan 0.000 0.469 1143 D N 2.374 122.764 120.400 -0.016 0.000 2.479 1143 D HA 0.210 4.850 4.640 0.000 0.000 0.216 1143 D C -0.210 176.225 176.300 0.224 0.000 1.110 1143 D CA 0.625 54.692 54.000 0.113 0.000 0.841 1143 D CB 0.969 41.868 40.800 0.165 0.000 1.040 1143 D HN 0.530 nan 8.370 nan 0.000 0.505 1144 F N -1.020 118.918 119.950 -0.019 0.000 2.641 1144 F HA 0.694 5.221 4.527 0.000 0.000 0.308 1144 F C -0.258 175.546 175.800 0.006 0.000 1.105 1144 F CA -1.258 56.739 58.000 -0.006 0.000 0.964 1144 F CB 1.114 40.106 39.000 -0.012 0.000 1.294 1144 F HN -0.216 nan 8.300 nan 0.000 0.442 1145 G N 1.247 110.166 108.800 0.197 0.000 2.597 1145 G HA2 0.626 4.586 3.960 0.000 0.000 0.317 1145 G HA3 0.626 4.586 3.960 0.000 0.000 0.317 1145 G C -1.960 173.151 174.900 0.353 0.000 1.230 1145 G CA -1.053 44.159 45.100 0.185 0.000 0.996 1145 G HN 0.789 nan 8.290 nan 0.000 0.490 1146 K N -0.049 120.536 120.400 0.308 0.000 2.581 1146 K HA 0.224 4.544 4.320 0.000 0.000 0.249 1146 K C -2.262 174.385 176.600 0.078 0.000 0.966 1146 K CA -0.708 55.720 56.287 0.236 0.000 0.811 1146 K CB 2.214 34.802 32.500 0.146 0.000 1.223 1146 K HN 0.576 nan 8.250 nan 0.000 0.438 1147 W N 6.298 127.375 121.300 -0.371 0.000 2.683 1147 W HA 0.404 5.064 4.660 0.000 0.000 0.329 1147 W C -1.214 175.114 176.519 -0.318 0.000 1.037 1147 W CA -0.700 56.287 57.345 -0.596 0.000 1.232 1147 W CB 1.398 29.948 29.460 -1.516 0.000 1.390 1147 W HN 0.660 nan 8.180 nan 0.000 0.465 1148 R N 4.324 124.726 120.500 -0.164 0.000 2.295 1148 R HA 0.648 4.988 4.340 0.000 0.000 0.324 1148 R C -0.886 175.405 176.300 -0.015 0.000 0.968 1148 R CA -0.165 55.905 56.100 -0.051 0.000 0.837 1148 R CB 1.078 31.329 30.300 -0.081 0.000 1.133 1148 R HN 0.440 nan 8.270 nan 0.000 0.450 1149 A N 3.893 126.762 122.820 0.081 0.000 2.324 1149 A HA 0.592 4.912 4.320 0.000 0.000 0.330 1149 A C -0.932 176.670 177.584 0.030 0.000 1.165 1149 A CA -0.653 51.434 52.037 0.084 0.000 0.813 1149 A CB 1.706 20.769 19.000 0.105 0.000 1.197 1149 A HN 0.493 nan 8.150 nan 0.000 0.484 1150 V N 3.456 123.381 119.914 0.020 0.000 2.448 1150 V HA 0.451 4.571 4.120 0.000 0.000 0.295 1150 V C -0.771 175.326 176.094 0.006 0.000 1.025 1150 V CA -0.577 61.727 62.300 0.007 0.000 0.859 1150 V CB 1.280 33.103 31.823 -0.001 0.000 0.988 1150 V HN 0.709 nan 8.190 nan 0.000 0.431 1151 L N 5.515 126.737 121.223 -0.002 0.000 2.365 1151 L HA 0.688 5.028 4.340 0.000 0.000 0.273 1151 L C 0.023 176.879 176.870 -0.023 0.000 1.000 1151 L CA -0.469 54.364 54.840 -0.010 0.000 0.819 1151 L CB 2.111 44.161 42.059 -0.015 0.000 1.284 1151 L HN 0.826 nan 8.230 nan 0.000 0.418 1152 R N 2.471 122.955 120.500 -0.026 0.000 2.732 1152 R HA 0.804 5.144 4.340 0.000 0.000 0.278 1152 R C -0.984 175.271 176.300 -0.075 0.000 0.976 1152 R CA -0.807 55.270 56.100 -0.039 0.000 0.963 1152 R CB 1.918 32.210 30.300 -0.012 0.000 1.150 1152 R HN 0.457 nan 8.270 nan 0.000 0.478 1153 I N 1.718 122.206 120.570 -0.136 0.000 2.354 1153 I HA 0.590 4.760 4.170 0.000 0.000 0.286 1153 I C -0.281 175.773 176.117 -0.104 0.000 1.007 1153 I CA -0.381 60.778 61.300 -0.235 0.000 1.167 1153 I CB 1.475 39.073 38.000 -0.670 0.000 1.320 1153 I HN 0.977 nan 8.210 nan 0.000 0.458 1154 A N 4.647 127.451 122.820 -0.025 0.000 2.573 1154 A HA 0.353 4.673 4.320 0.000 0.000 0.310 1154 A C -1.504 176.112 177.584 0.053 0.000 1.142 1154 A CA -0.646 51.411 52.037 0.033 0.000 0.620 1154 A CB 0.666 19.684 19.000 0.029 0.000 1.382 1154 A HN 0.523 nan 8.150 nan 0.000 0.545 1155 D N 1.044 121.474 120.400 0.050 0.000 2.389 1155 D HA 0.361 5.001 4.640 0.000 0.000 0.263 1155 D C 0.225 176.547 176.300 0.037 0.000 1.255 1155 D CA 1.373 55.400 54.000 0.045 0.000 0.914 1155 D CB 0.084 40.906 40.800 0.037 0.000 1.116 1155 D HN 0.425 nan 8.370 nan 0.000 0.502 1156 Q N 1.098 120.922 119.800 0.040 0.000 2.465 1156 Q HA -0.184 4.156 4.340 0.000 0.000 0.248 1156 Q C -0.874 175.146 176.000 0.034 0.000 0.819 1156 Q CA 0.666 56.490 55.803 0.035 0.000 1.219 1156 Q CB -2.372 26.382 28.738 0.027 0.000 1.472 1156 Q HN 0.533 nan 8.270 nan 0.000 0.630 1157 C N 1.255 120.577 119.300 0.037 0.000 2.498 1157 C HA 0.627 5.087 4.460 0.000 0.000 0.316 1157 C C -2.019 172.985 174.990 0.024 0.000 1.209 1157 C CA -1.217 57.815 59.018 0.024 0.000 1.518 1157 C CB 2.007 29.753 27.740 0.009 0.000 2.147 1157 C HN 0.129 nan 8.230 nan 0.000 0.483 1158 P HA 0.248 nan 4.420 nan 0.000 0.284 1158 P C -0.368 176.950 177.300 0.030 0.000 1.253 1158 P CA 0.224 63.334 63.100 0.016 0.000 0.800 1158 P CB 1.280 32.983 31.700 0.005 0.000 0.961 1159 S N 0.967 116.681 115.700 0.024 0.000 2.652 1159 S HA 0.154 4.624 4.470 0.000 0.000 0.270 1159 S C 1.523 176.137 174.600 0.023 0.000 1.243 1159 S CA -0.008 58.207 58.200 0.026 0.000 0.999 1159 S CB 0.271 63.484 63.200 0.022 0.000 0.973 1159 S HN 0.493 nan 8.310 nan 0.000 0.544 1160 S N 1.307 117.021 115.700 0.023 0.000 2.423 1160 S HA -0.078 4.392 4.470 0.000 0.000 0.231 1160 S C 1.713 176.322 174.600 0.014 0.000 1.014 1160 S CA 0.458 58.669 58.200 0.019 0.000 0.965 1160 S CB -0.806 62.405 63.200 0.020 0.000 0.785 1160 S HN 0.657 nan 8.310 nan 0.000 0.495 1161 L N 1.301 122.534 121.223 0.016 0.000 2.005 1161 L HA -0.066 4.274 4.340 0.000 0.000 0.207 1161 L C 2.957 179.835 176.870 0.014 0.000 1.072 1161 L CA 1.723 56.572 54.840 0.015 0.000 0.744 1161 L CB -1.110 40.959 42.059 0.016 0.000 0.895 1161 L HN 0.469 nan 8.230 nan 0.000 0.433 1162 A N 0.237 123.066 122.820 0.015 0.000 1.908 1162 A HA -0.240 4.080 4.320 0.000 0.000 0.218 1162 A C 2.095 179.684 177.584 0.009 0.000 1.181 1162 A CA 1.848 53.893 52.037 0.014 0.000 0.627 1162 A CB -0.699 18.309 19.000 0.013 0.000 0.818 1162 A HN 0.494 nan 8.150 nan 0.000 0.445 1163 I N 0.074 120.648 120.570 0.006 0.000 2.202 1163 I HA -0.336 3.834 4.170 0.000 0.000 0.242 1163 I C 2.888 179.000 176.117 -0.007 0.000 1.091 1163 I CA 1.872 63.171 61.300 -0.002 0.000 1.368 1163 I CB -0.526 37.473 38.000 -0.002 0.000 1.058 1163 I HN 0.650 nan 8.210 nan 0.000 0.410 1164 Q N 0.570 120.369 119.800 -0.001 0.000 2.119 1164 Q HA -0.180 4.160 4.340 0.000 0.000 0.201 1164 Q C 1.900 177.897 176.000 -0.005 0.000 0.972 1164 Q CA 1.203 57.004 55.803 -0.003 0.000 0.847 1164 Q CB -0.311 28.430 28.738 0.006 0.000 0.903 1164 Q HN 0.336 nan 8.270 nan 0.000 0.433 1165 E N 1.107 121.309 120.200 0.003 0.000 2.028 1165 E HA -0.110 4.240 4.350 0.000 0.000 0.191 1165 E C 1.880 178.479 176.600 -0.002 0.000 0.988 1165 E CA 0.981 57.386 56.400 0.008 0.000 0.799 1165 E CB -0.347 29.365 29.700 0.021 0.000 0.755 1165 E HN 0.504 nan 8.360 nan 0.000 0.447 1166 N N 0.639 119.341 118.700 0.004 0.000 2.223 1166 N HA -0.119 4.621 4.740 0.000 0.000 0.185 1166 N C 1.730 177.211 175.510 -0.047 0.000 1.016 1166 N CA 1.132 54.186 53.050 0.007 0.000 0.863 1166 N CB 0.002 38.501 38.487 0.021 0.000 0.983 1166 N HN 0.087 nan 8.380 nan 0.000 0.429 1167 A N 1.618 124.400 122.820 -0.064 0.000 1.872 1167 A HA -0.066 4.254 4.320 0.000 0.000 0.214 1167 A C 2.041 179.520 177.584 -0.174 0.000 1.187 1167 A CA 1.019 52.989 52.037 -0.112 0.000 0.614 1167 A CB -0.335 18.613 19.000 -0.086 0.000 0.826 1167 A HN 0.247 nan 8.150 nan 0.000 0.442 1168 N N -0.512 118.104 118.700 -0.140 0.000 2.270 1168 N HA -0.085 4.655 4.740 0.000 0.000 0.181 1168 N C 1.592 176.929 175.510 -0.289 0.000 1.016 1168 N CA 1.683 54.609 53.050 -0.207 0.000 0.870 1168 N CB -0.299 38.178 38.487 -0.018 0.000 0.979 1168 N HN 0.464 nan 8.380 nan 0.000 0.431 1169 T N 1.888 116.324 114.554 -0.196 0.000 2.812 1169 T HA 0.047 4.397 4.350 0.000 0.000 0.264 1169 T C 2.184 176.609 174.700 -0.459 0.000 1.042 1169 T CA 0.406 62.362 62.100 -0.240 0.000 1.140 1169 T CB -0.102 68.718 68.868 -0.079 0.000 0.870 1169 T HN 0.117 nan 8.240 nan 0.000 0.445 1170 L N 0.726 121.715 121.223 -0.391 0.000 2.079 1170 L HA -0.128 4.212 4.340 0.000 0.000 0.210 1170 L C 2.929 179.626 176.870 -0.288 0.000 1.081 1170 L CA 1.258 55.864 54.840 -0.391 0.000 0.752 1170 L CB -0.524 41.402 42.059 -0.221 0.000 0.896 1170 L HN 0.260 nan 8.230 nan 0.000 0.433 1171 A N -0.768 121.815 122.820 -0.394 0.000 1.968 1171 A HA -0.141 4.179 4.320 0.000 0.000 0.217 1171 A C 2.333 179.630 177.584 -0.478 0.000 1.169 1171 A CA 0.941 52.687 52.037 -0.485 0.000 0.638 1171 A CB -0.288 18.258 19.000 -0.757 0.000 0.812 1171 A HN 0.209 nan 8.150 nan 0.000 0.446 1172 R N -1.056 119.160 120.500 -0.473 0.000 2.070 1172 R HA -0.154 4.186 4.340 0.000 0.000 0.232 1172 R C 2.124 178.292 176.300 -0.219 0.000 1.138 1172 R CA 1.882 57.835 56.100 -0.245 0.000 0.936 1172 R CB -1.377 28.813 30.300 -0.184 0.000 0.839 1172 R HN 0.775 nan 8.270 nan 0.000 0.429 1173 Y N 1.045 121.046 120.300 -0.498 0.000 2.151 1173 Y HA -0.250 4.300 4.550 0.000 0.000 0.284 1173 Y C 2.091 177.852 175.900 -0.232 0.000 1.166 1173 Y CA 1.754 59.566 58.100 -0.480 0.000 1.163 1173 Y CB -0.495 37.360 38.460 -1.008 0.000 0.974 1173 Y HN 0.078 nan 8.280 nan 0.000 0.511 1174 A N -0.147 122.314 122.820 -0.598 0.000 1.877 1174 A HA -0.218 4.102 4.320 0.000 0.000 0.216 1174 A C 2.540 179.939 177.584 -0.309 0.000 1.186 1174 A CA 2.101 53.806 52.037 -0.554 0.000 0.620 1174 A CB -1.559 17.282 19.000 -0.264 0.000 0.822 1174 A HN 0.586 nan 8.150 nan 0.000 0.443 1175 S N -0.348 115.242 115.700 -0.183 0.000 2.356 1175 S HA -0.141 4.329 4.470 0.000 0.000 0.223 1175 S C 1.927 176.483 174.600 -0.073 0.000 1.032 1175 S CA 1.536 59.696 58.200 -0.067 0.000 1.005 1175 S CB -0.566 62.642 63.200 0.013 0.000 0.867 1175 S HN 0.471 nan 8.310 nan 0.000 0.449 1176 I N 0.928 121.438 120.570 -0.100 0.000 2.208 1176 I HA -0.225 3.945 4.170 0.000 0.000 0.245 1176 I C 2.599 178.676 176.117 -0.067 0.000 1.097 1176 I CA 0.946 62.210 61.300 -0.059 0.000 1.363 1176 I CB -0.598 37.383 38.000 -0.031 0.000 1.051 1176 I HN 0.430 nan 8.210 nan 0.000 0.413 1177 C N 0.402 119.608 119.300 -0.157 0.000 2.436 1177 C HA -0.174 4.286 4.460 0.000 0.000 0.277 1177 C C 2.864 177.820 174.990 -0.056 0.000 1.241 1177 C CA 0.845 59.791 59.018 -0.120 0.000 1.721 1177 C CB -1.088 26.497 27.740 -0.260 0.000 2.043 1177 C HN 0.515 nan 8.230 nan 0.000 0.472 1178 Q N -0.115 119.645 119.800 -0.065 0.000 2.181 1178 Q HA -0.230 4.110 4.340 0.000 0.000 0.205 1178 Q C 2.193 178.192 176.000 -0.002 0.000 0.980 1178 Q CA 1.172 56.969 55.803 -0.010 0.000 0.862 1178 Q CB -0.309 28.438 28.738 0.016 0.000 0.905 1178 Q HN 0.675 nan 8.270 nan 0.000 0.429 1179 Q N 0.086 119.880 119.800 -0.009 0.000 2.364 1179 Q HA -0.019 4.321 4.340 0.000 0.000 0.207 1179 Q C 0.796 176.800 176.000 0.006 0.000 0.970 1179 Q CA 0.778 56.580 55.803 -0.002 0.000 0.888 1179 Q CB 0.161 28.899 28.738 0.000 0.000 0.951 1179 Q HN 0.432 nan 8.270 nan 0.000 0.469 1180 N N -1.015 117.692 118.700 0.012 0.000 2.234 1180 N HA 0.115 4.855 4.740 0.000 0.000 0.227 1180 N C 0.454 175.984 175.510 0.034 0.000 1.151 1180 N CA 0.642 53.708 53.050 0.026 0.000 0.865 1180 N CB 1.549 40.060 38.487 0.041 0.000 1.066 1180 N HN 0.253 nan 8.380 nan 0.000 0.515 1181 G N 0.980 109.797 108.800 0.028 0.000 2.148 1181 G HA2 -0.256 3.704 3.960 0.000 0.000 0.254 1181 G HA3 -0.256 3.704 3.960 0.000 0.000 0.254 1181 G C -0.337 174.595 174.900 0.052 0.000 0.981 1181 G CA 0.024 45.146 45.100 0.037 0.000 0.670 1181 G HN 0.166 nan 8.290 nan 0.000 0.528 1182 L N 0.495 121.748 121.223 0.050 0.000 2.309 1182 L HA 0.632 4.972 4.340 0.000 0.000 0.282 1182 L C 0.706 177.616 176.870 0.066 0.000 1.036 1182 L CA -0.868 54.015 54.840 0.071 0.000 0.806 1182 L CB 2.007 44.106 42.059 0.066 0.000 1.220 1182 L HN -0.051 nan 8.230 nan 0.000 0.429 1183 V N 5.762 125.748 119.914 0.119 0.000 2.427 1183 V HA 0.241 4.361 4.120 0.000 0.000 0.268 1183 V C -1.896 174.263 176.094 0.108 0.000 1.046 1183 V CA -1.222 61.132 62.300 0.090 0.000 0.970 1183 V CB 0.844 32.706 31.823 0.065 0.000 1.001 1183 V HN 0.618 nan 8.190 nan 0.000 0.476 1184 P HA 0.315 nan 4.420 nan 0.000 0.281 1184 P C -0.565 176.820 177.300 0.142 0.000 1.252 1184 P CA -0.193 62.922 63.100 0.024 0.000 0.778 1184 P CB 1.196 32.721 31.700 -0.292 0.000 0.895 1185 I N 3.892 124.636 120.570 0.290 0.000 2.297 1185 I HA 0.143 4.313 4.170 0.000 0.000 0.291 1185 I C 0.240 176.506 176.117 0.250 0.000 1.033 1185 I CA -0.902 60.517 61.300 0.198 0.000 1.253 1185 I CB 1.442 39.561 38.000 0.199 0.000 1.396 1185 I HN 0.015 nan 8.210 nan 0.000 0.476 1186 V N 6.854 126.855 119.914 0.144 0.000 2.389 1186 V HA 0.127 4.247 4.120 0.000 0.000 0.264 1186 V C 0.420 176.536 176.094 0.037 0.000 1.049 1186 V CA -0.323 62.040 62.300 0.104 0.000 0.932 1186 V CB 0.973 32.793 31.823 -0.005 0.000 1.011 1186 V HN 0.702 nan 8.190 nan 0.000 0.475 1187 E N 7.785 128.014 120.200 0.049 0.000 2.267 1187 E HA 0.361 4.711 4.350 0.000 0.000 0.241 1187 E C -2.660 173.956 176.600 0.026 0.000 0.950 1187 E CA -1.970 54.449 56.400 0.031 0.000 0.776 1187 E CB 1.446 31.171 29.700 0.042 0.000 1.207 1187 E HN 0.447 nan 8.360 nan 0.000 0.436 1188 P HA 0.166 nan 4.420 nan 0.000 0.258 1188 P C -1.144 176.162 177.300 0.010 0.000 1.647 1188 P CA -0.261 62.839 63.100 0.001 0.000 1.099 1188 P CB 0.449 32.133 31.700 -0.026 0.000 1.604 1189 E N 2.762 122.972 120.200 0.017 0.000 2.200 1189 E HA 0.258 4.608 4.350 0.000 0.000 0.283 1189 E C -0.887 175.717 176.600 0.008 0.000 1.015 1189 E CA -0.730 55.682 56.400 0.020 0.000 0.819 1189 E CB 0.812 30.529 29.700 0.027 0.000 1.081 1189 E HN 0.035 nan 8.360 nan 0.000 0.397 1190 V N 7.502 127.418 119.914 0.003 0.000 2.348 1190 V HA 0.163 4.283 4.120 0.000 0.000 0.270 1190 V C 0.532 176.616 176.094 -0.017 0.000 1.037 1190 V CA -0.515 61.772 62.300 -0.021 0.000 0.872 1190 V CB 0.174 31.975 31.823 -0.037 0.000 1.002 1190 V HN 0.605 nan 8.190 nan 0.000 0.464 1191 I N 4.066 124.627 120.570 -0.016 0.000 2.813 1191 I HA 0.233 4.403 4.170 0.000 0.000 0.287 1191 I C -1.506 174.603 176.117 -0.012 0.000 1.196 1191 I CA -1.271 60.024 61.300 -0.007 0.000 1.421 1191 I CB 0.199 38.203 38.000 0.007 0.000 1.365 1191 I HN 0.351 nan 8.210 nan 0.000 0.591 1192 P HA 0.042 nan 4.420 nan 0.000 0.236 1192 P C -0.529 176.648 177.300 -0.206 0.000 1.177 1192 P CA 0.433 63.392 63.100 -0.236 0.000 0.773 1192 P CB -0.123 31.174 31.700 -0.673 0.000 0.878 1193 D N 0.757 121.141 120.400 -0.028 0.000 2.487 1193 D HA 0.371 5.011 4.640 0.000 0.000 0.243 1193 D C 1.329 177.689 176.300 0.099 0.000 1.154 1193 D CA 1.372 55.407 54.000 0.058 0.000 0.876 1193 D CB -0.136 40.709 40.800 0.074 0.000 1.161 1193 D HN 0.198 nan 8.370 nan 0.000 0.478 1194 G N 1.925 110.749 108.800 0.039 0.000 2.353 1194 G HA2 0.091 4.051 3.960 0.000 0.000 0.424 1194 G HA3 0.091 4.051 3.960 0.000 0.000 0.424 1194 G C -0.568 174.259 174.900 -0.122 0.000 1.320 1194 G CA -0.263 44.864 45.100 0.045 0.000 0.995 1194 G HN 0.442 nan 8.290 nan 0.000 0.580 1195 D N -0.966 119.401 120.400 -0.056 0.000 2.395 1195 D HA 0.070 4.710 4.640 0.000 0.000 0.213 1195 D C 0.938 177.197 176.300 -0.069 0.000 1.110 1195 D CA 0.214 54.170 54.000 -0.073 0.000 0.835 1195 D CB -0.619 40.186 40.800 0.008 0.000 0.965 1195 D HN 0.846 nan 8.370 nan 0.000 0.505 1196 H N 0.651 119.744 119.070 0.038 0.000 2.771 1196 H HA 0.243 4.799 4.556 0.000 0.000 0.364 1196 H C -0.177 175.199 175.328 0.080 0.000 1.133 1196 H CA -0.105 55.986 56.048 0.072 0.000 1.423 1196 H CB 0.583 30.314 29.762 -0.052 0.000 1.425 1196 H HN 0.014 nan 8.280 nan 0.000 0.606 1197 D N 1.772 122.315 120.400 0.239 0.000 2.423 1197 D HA -0.012 4.628 4.640 0.000 0.000 0.255 1197 D C 1.470 177.858 176.300 0.147 0.000 1.174 1197 D CA -0.875 53.245 54.000 0.201 0.000 1.008 1197 D CB 0.972 41.913 40.800 0.235 0.000 1.101 1197 D HN 0.442 nan 8.370 nan 0.000 0.516 1198 L N 0.217 121.401 121.223 -0.065 0.000 1.997 1198 L HA -0.243 4.097 4.340 0.000 0.000 0.216 1198 L C 1.874 178.707 176.870 -0.062 0.000 1.074 1198 L CA 2.167 56.846 54.840 -0.267 0.000 0.763 1198 L CB -1.087 40.441 42.059 -0.885 0.000 0.890 1198 L HN 0.526 nan 8.230 nan 0.000 0.434 1199 E N -1.447 118.751 120.200 -0.004 0.000 2.118 1199 E HA -0.281 4.069 4.350 0.000 0.000 0.195 1199 E C 2.174 178.870 176.600 0.160 0.000 0.992 1199 E CA 1.671 58.112 56.400 0.069 0.000 0.804 1199 E CB -0.453 29.287 29.700 0.066 0.000 0.741 1199 E HN 0.757 nan 8.360 nan 0.000 0.458 1200 H N -0.969 118.136 119.070 0.057 0.000 2.423 1200 H HA -0.093 4.463 4.556 0.000 0.000 0.297 1200 H C 2.028 177.392 175.328 0.060 0.000 1.075 1200 H CA 1.019 57.099 56.048 0.054 0.000 1.342 1200 H CB 0.038 29.835 29.762 0.059 0.000 1.395 1200 H HN 0.341 nan 8.280 nan 0.000 0.530 1201 C N 0.766 120.142 119.300 0.126 0.000 2.466 1201 C HA -0.096 4.364 4.460 0.000 0.000 0.278 1201 C C 2.802 177.827 174.990 0.059 0.000 1.288 1201 C CA 1.406 60.428 59.018 0.007 0.000 1.722 1201 C CB -0.934 26.833 27.740 0.044 0.000 2.017 1201 C HN 0.688 nan 8.230 nan 0.000 0.488 1202 Q N -1.305 118.546 119.800 0.085 0.000 2.135 1202 Q HA -0.259 4.081 4.340 0.000 0.000 0.204 1202 Q C 2.030 178.099 176.000 0.115 0.000 0.981 1202 Q CA 2.187 58.040 55.803 0.083 0.000 0.856 1202 Q CB -0.481 28.302 28.738 0.074 0.000 0.902 1202 Q HN 0.876 nan 8.270 nan 0.000 0.425 1203 Y N 0.246 120.579 120.300 0.055 0.000 2.114 1203 Y HA -0.240 4.310 4.550 0.000 0.000 0.284 1203 Y C 2.077 178.007 175.900 0.050 0.000 1.143 1203 Y CA 1.790 59.925 58.100 0.059 0.000 1.135 1203 Y CB -0.312 38.194 38.460 0.076 0.000 0.980 1203 Y HN -0.066 nan 8.280 nan 0.000 0.499 1204 V N -0.430 119.601 119.914 0.196 0.000 2.343 1204 V HA -0.330 3.790 4.120 0.000 0.000 0.247 1204 V C 2.239 178.321 176.094 -0.020 0.000 1.051 1204 V CA 2.395 64.737 62.300 0.070 0.000 1.036 1204 V CB -1.176 30.673 31.823 0.044 0.000 0.654 1204 V HN 0.497 nan 8.190 nan 0.000 0.451 1205 T N -0.405 114.145 114.554 -0.006 0.000 2.746 1205 T HA -0.219 4.131 4.350 0.000 0.000 0.267 1205 T C 1.811 176.500 174.700 -0.019 0.000 1.039 1205 T CA 1.767 63.864 62.100 -0.005 0.000 1.142 1205 T CB -0.225 68.655 68.868 0.020 0.000 0.866 1205 T HN 0.602 nan 8.240 nan 0.000 0.444 1206 E N 0.593 120.764 120.200 -0.048 0.000 2.051 1206 E HA -0.120 4.230 4.350 0.000 0.000 0.192 1206 E C 2.460 179.005 176.600 -0.092 0.000 0.991 1206 E CA 0.762 57.123 56.400 -0.065 0.000 0.799 1206 E CB 0.019 29.657 29.700 -0.103 0.000 0.748 1206 E HN 0.184 nan 8.360 nan 0.000 0.449 1207 K N 0.489 120.790 120.400 -0.165 0.000 2.032 1207 K HA -0.156 4.164 4.320 0.000 0.000 0.209 1207 K C 2.424 178.987 176.600 -0.062 0.000 1.048 1207 K CA 1.502 57.704 56.287 -0.142 0.000 0.927 1207 K CB -1.009 31.383 32.500 -0.180 0.000 0.712 1207 K HN 0.254 nan 8.250 nan 0.000 0.441 1208 V N -0.719 119.168 119.914 -0.044 0.000 2.295 1208 V HA -0.169 3.951 4.120 0.000 0.000 0.246 1208 V C 2.287 178.375 176.094 -0.010 0.000 1.049 1208 V CA 1.393 63.679 62.300 -0.024 0.000 1.024 1208 V CB -0.818 30.993 31.823 -0.020 0.000 0.648 1208 V HN 0.137 nan 8.190 nan 0.000 0.447 1209 L N 0.530 121.762 121.223 0.015 0.000 2.131 1209 L HA -0.033 4.307 4.340 0.000 0.000 0.210 1209 L C 2.996 179.948 176.870 0.137 0.000 1.092 1209 L CA 1.507 56.397 54.840 0.084 0.000 0.759 1209 L CB -0.797 41.323 42.059 0.101 0.000 0.903 1209 L HN 0.476 nan 8.230 nan 0.000 0.435 1210 A N -0.110 122.748 122.820 0.063 0.000 1.897 1210 A HA -0.093 4.228 4.320 0.000 0.000 0.215 1210 A C 2.523 180.136 177.584 0.050 0.000 1.181 1210 A CA 1.469 53.544 52.037 0.064 0.000 0.620 1210 A CB -0.569 18.435 19.000 0.008 0.000 0.821 1210 A HN 0.374 nan 8.150 nan 0.000 0.443 1211 A N -0.485 122.341 122.820 0.009 0.000 1.930 1211 A HA 0.038 4.358 4.320 0.000 0.000 0.217 1211 A C 2.216 179.774 177.584 -0.043 0.000 1.175 1211 A CA 1.676 53.706 52.037 -0.012 0.000 0.627 1211 A CB -0.874 18.113 19.000 -0.021 0.000 0.815 1211 A HN 0.341 nan 8.150 nan 0.000 0.443 1212 V N -1.455 118.412 119.914 -0.078 0.000 2.255 1212 V HA -0.302 3.818 4.120 0.000 0.000 0.247 1212 V C 2.356 178.255 176.094 -0.325 0.000 1.051 1212 V CA 2.135 64.304 62.300 -0.218 0.000 1.018 1212 V CB -1.069 30.581 31.823 -0.288 0.000 0.641 1212 V HN 0.679 nan 8.190 nan 0.000 0.445 1213 Y N 0.044 120.324 120.300 -0.034 0.000 2.352 1213 Y HA -0.165 4.385 4.550 0.000 0.000 0.292 1213 Y C 2.434 178.324 175.900 -0.016 0.000 1.136 1213 Y CA 1.661 59.745 58.100 -0.026 0.000 1.227 1213 Y CB -0.211 38.236 38.460 -0.022 0.000 0.991 1213 Y HN 0.152 nan 8.280 nan 0.000 0.545 1214 K N 0.831 121.271 120.400 0.066 0.000 2.031 1214 K HA -0.065 4.255 4.320 0.000 0.000 0.205 1214 K C 2.195 178.805 176.600 0.016 0.000 1.049 1214 K CA 1.402 57.715 56.287 0.043 0.000 0.939 1214 K CB -0.716 31.802 32.500 0.029 0.000 0.717 1214 K HN 0.134 nan 8.250 nan 0.000 0.438 1215 A N 0.852 123.662 122.820 -0.016 0.000 1.908 1215 A HA -0.130 4.190 4.320 0.000 0.000 0.218 1215 A C 2.276 179.863 177.584 0.005 0.000 1.181 1215 A CA 1.766 53.804 52.037 0.001 0.000 0.627 1215 A CB -0.809 18.140 19.000 -0.086 0.000 0.818 1215 A HN 0.333 nan 8.150 nan 0.000 0.445 1216 L N -0.254 120.917 121.223 -0.087 0.000 2.131 1216 L HA -0.195 4.145 4.340 0.000 0.000 0.210 1216 L C 2.594 179.473 176.870 0.014 0.000 1.092 1216 L CA 1.352 56.149 54.840 -0.072 0.000 0.759 1216 L CB -0.549 41.427 42.059 -0.140 0.000 0.903 1216 L HN 0.524 nan 8.230 nan 0.000 0.435 1217 N N 0.085 118.802 118.700 0.028 0.000 2.171 1217 N HA -0.183 4.557 4.740 0.000 0.000 0.184 1217 N C 1.360 176.831 175.510 -0.066 0.000 1.021 1217 N CA 1.438 54.504 53.050 0.027 0.000 0.854 1217 N CB 0.030 38.546 38.487 0.049 0.000 0.994 1217 N HN 0.265 nan 8.380 nan 0.000 0.426 1218 D N 0.010 120.369 120.400 -0.068 0.000 2.123 1218 D HA -0.132 4.508 4.640 0.000 0.000 0.196 1218 D C 1.232 177.257 176.300 -0.458 0.000 0.992 1218 D CA 1.075 54.959 54.000 -0.193 0.000 0.833 1218 D CB -0.552 40.199 40.800 -0.081 0.000 0.954 1218 D HN 0.511 nan 8.370 nan 0.000 0.455 1219 H N -0.631 118.250 119.070 -0.316 0.000 2.543 1219 H HA 0.040 4.596 4.556 0.000 0.000 0.269 1219 H C -0.042 175.168 175.328 -0.197 0.000 1.005 1219 H CA 0.303 56.191 56.048 -0.267 0.000 1.146 1219 H CB 0.006 29.692 29.762 -0.127 0.000 1.353 1219 H HN 0.406 nan 8.280 nan 0.000 0.595 1220 H N -1.838 117.295 119.070 0.105 0.000 2.862 1220 H HA -0.123 4.433 4.556 0.000 0.000 0.290 1220 H C -0.177 175.210 175.328 0.099 0.000 1.211 1220 H CA 0.128 56.228 56.048 0.088 0.000 1.140 1220 H CB -2.084 27.716 29.762 0.064 0.000 1.341 1220 H HN 0.024 nan 8.280 nan 0.000 0.392 1221 V N 0.872 120.876 119.914 0.149 0.000 2.555 1221 V HA -0.056 4.064 4.120 0.000 0.000 0.286 1221 V C 0.642 176.844 176.094 0.180 0.000 1.044 1221 V CA -0.140 62.235 62.300 0.126 0.000 1.026 1221 V CB 0.230 32.075 31.823 0.036 0.000 0.981 1221 V HN 0.343 nan 8.190 nan 0.000 0.480 1222 Y N 5.728 126.053 120.300 0.042 0.000 2.620 1222 Y HA 0.205 4.755 4.550 0.000 0.000 0.352 1222 Y C 0.853 176.777 175.900 0.041 0.000 1.140 1222 Y CA -0.733 57.393 58.100 0.043 0.000 1.529 1222 Y CB 0.235 38.713 38.460 0.030 0.000 1.321 1222 Y HN 0.549 nan 8.280 nan 0.000 0.501 1223 L N 3.890 125.037 121.223 -0.127 0.000 2.089 1223 L HA -0.254 4.086 4.340 0.000 0.000 0.213 1223 L C 1.920 178.606 176.870 -0.307 0.000 1.079 1223 L CA 1.714 56.470 54.840 -0.139 0.000 0.758 1223 L CB -0.770 41.269 42.059 -0.032 0.000 0.891 1223 L HN 0.581 nan 8.230 nan 0.000 0.433 1224 E N -1.000 118.795 120.200 -0.676 0.000 2.333 1224 E HA -0.064 4.286 4.350 0.000 0.000 0.198 1224 E C 1.590 177.939 176.600 -0.419 0.000 1.007 1224 E CA 0.980 57.029 56.400 -0.586 0.000 0.845 1224 E CB -0.293 28.990 29.700 -0.695 0.000 0.766 1224 E HN 0.425 nan 8.360 nan 0.000 0.507 1225 G N 0.663 109.215 108.800 -0.414 0.000 4.486 1225 G HA2 0.247 4.207 3.960 0.000 0.000 0.306 1225 G HA3 0.247 4.207 3.960 0.000 0.000 0.306 1225 G C -0.230 174.652 174.900 -0.031 0.000 1.331 1225 G CA 0.091 45.160 45.100 -0.052 0.000 1.113 1225 G HN 0.169 nan 8.290 nan 0.000 0.594 1226 T N -2.319 112.192 114.554 -0.072 0.000 2.812 1226 T HA 0.784 5.134 4.350 0.000 0.000 0.294 1226 T C -1.069 173.596 174.700 -0.060 0.000 1.159 1226 T CA -0.832 61.243 62.100 -0.042 0.000 1.008 1226 T CB 2.193 71.049 68.868 -0.021 0.000 1.289 1226 T HN 0.020 nan 8.240 nan 0.000 0.514 1227 L N 0.695 121.888 121.223 -0.050 0.000 2.434 1227 L HA 0.688 5.028 4.340 0.000 0.000 0.260 1227 L C -1.523 175.308 176.870 -0.066 0.000 0.983 1227 L CA -1.190 53.596 54.840 -0.091 0.000 0.820 1227 L CB 2.360 44.337 42.059 -0.138 0.000 1.361 1227 L HN 0.681 nan 8.230 nan 0.000 0.410 1228 L N 2.750 123.901 121.223 -0.119 0.000 2.325 1228 L HA 0.500 4.840 4.340 0.000 0.000 0.278 1228 L C -0.492 176.271 176.870 -0.179 0.000 1.023 1228 L CA -0.024 54.748 54.840 -0.112 0.000 0.811 1228 L CB 1.362 43.347 42.059 -0.123 0.000 1.249 1228 L HN 0.554 nan 8.230 nan 0.000 0.431 1229 K N 6.507 126.837 120.400 -0.117 0.000 2.753 1229 K HA 0.485 4.805 4.320 0.000 0.000 0.185 1229 K C -2.824 173.738 176.600 -0.063 0.000 1.071 1229 K CA -1.437 54.785 56.287 -0.109 0.000 0.999 1229 K CB 1.026 33.509 32.500 -0.028 0.000 1.244 1229 K HN 0.412 nan 8.250 nan 0.000 0.594 1230 P HA 0.184 nan 4.420 nan 0.000 0.286 1230 P C -1.142 176.232 177.300 0.124 0.000 1.292 1230 P CA -0.658 62.439 63.100 -0.006 0.000 0.842 1230 P CB 0.924 32.601 31.700 -0.039 0.000 1.207 1231 N N 0.409 119.192 118.700 0.138 0.000 2.483 1231 N HA 0.179 4.919 4.740 0.000 0.000 0.269 1231 N C 0.026 175.683 175.510 0.245 0.000 1.209 1231 N CA -0.300 52.855 53.050 0.174 0.000 0.969 1231 N CB 0.448 38.986 38.487 0.086 0.000 1.173 1231 N HN 0.385 nan 8.380 nan 0.000 0.475 1232 M N 0.628 120.340 119.600 0.186 0.000 2.255 1232 M HA 0.163 4.643 4.480 0.000 0.000 0.336 1232 M C -0.158 176.155 176.300 0.022 0.000 1.135 1232 M CA -0.823 54.503 55.300 0.043 0.000 1.145 1232 M CB 1.323 33.836 32.600 -0.146 0.000 1.473 1232 M HN 0.220 nan 8.290 nan 0.000 0.462 1233 V N 2.179 122.091 119.914 -0.003 0.000 2.455 1233 V HA 0.356 4.476 4.120 0.000 0.000 0.273 1233 V C 0.319 176.378 176.094 -0.059 0.000 1.045 1233 V CA -0.044 62.248 62.300 -0.013 0.000 0.976 1233 V CB 0.400 32.220 31.823 -0.004 0.000 0.993 1233 V HN 1.026 nan 8.190 nan 0.000 0.475 1234 T N 2.277 116.799 114.554 -0.053 0.000 2.843 1234 T HA 0.806 5.156 4.350 0.000 0.000 0.302 1234 T C -0.275 174.390 174.700 -0.059 0.000 1.232 1234 T CA -0.260 61.793 62.100 -0.079 0.000 1.009 1234 T CB 1.763 70.604 68.868 -0.045 0.000 1.254 1234 T HN 0.888 nan 8.240 nan 0.000 0.504 1235 A N 0.679 123.458 122.820 -0.067 0.000 2.327 1235 A HA 0.751 5.071 4.320 0.000 0.000 0.255 1235 A C 1.042 178.532 177.584 -0.157 0.000 1.099 1235 A CA -0.056 51.962 52.037 -0.032 0.000 0.801 1235 A CB -0.687 18.400 19.000 0.145 0.000 1.062 1235 A HN 1.465 nan 8.150 nan 0.000 0.496 1236 G N -1.742 106.770 108.800 -0.481 0.000 2.634 1236 G HA2 0.352 4.312 3.960 0.000 0.000 0.255 1236 G HA3 0.352 4.312 3.960 0.000 0.000 0.255 1236 G C 0.610 175.358 174.900 -0.255 0.000 1.205 1236 G CA -0.148 44.560 45.100 -0.652 0.000 0.884 1236 G HN 0.761 nan 8.290 nan 0.000 0.549 1237 H N 1.039 120.026 119.070 -0.138 0.000 2.387 1237 H HA -0.080 4.476 4.556 0.000 0.000 0.299 1237 H C 2.588 177.878 175.328 -0.064 0.000 1.090 1237 H CA 1.501 57.507 56.048 -0.070 0.000 1.332 1237 H CB -0.251 29.486 29.762 -0.042 0.000 1.386 1237 H HN 0.468 nan 8.280 nan 0.000 0.516 1238 A N 0.131 122.977 122.820 0.044 0.000 2.302 1238 A HA 0.093 4.413 4.320 0.000 0.000 0.219 1238 A C 0.922 178.500 177.584 -0.010 0.000 1.243 1238 A CA -0.215 51.831 52.037 0.014 0.000 0.856 1238 A CB -0.658 18.349 19.000 0.012 0.000 0.893 1238 A HN 0.359 nan 8.150 nan 0.000 0.491 1239 C N 0.122 119.407 119.300 -0.025 0.000 2.514 1239 C HA 0.399 4.859 4.460 0.000 0.000 0.392 1239 C C 2.006 176.999 174.990 0.005 0.000 1.294 1239 C CA 0.469 59.481 59.018 -0.010 0.000 1.957 1239 C CB -0.165 27.573 27.740 -0.003 0.000 2.541 1239 C HN 0.622 nan 8.230 nan 0.000 0.569 1240 T N 3.390 117.943 114.554 -0.002 0.000 2.942 1240 T HA -0.043 4.307 4.350 0.000 0.000 0.265 1240 T C 0.600 175.267 174.700 -0.054 0.000 1.062 1240 T CA 0.955 63.043 62.100 -0.020 0.000 1.139 1240 T CB -0.061 68.796 68.868 -0.019 0.000 0.883 1240 T HN 0.684 nan 8.240 nan 0.000 0.468 1241 K N 2.535 122.894 120.400 -0.068 0.000 2.402 1241 K HA 0.136 4.456 4.320 0.000 0.000 0.285 1241 K C -0.104 176.301 176.600 -0.324 0.000 1.054 1241 K CA 0.145 56.303 56.287 -0.217 0.000 1.001 1241 K CB 0.428 32.800 32.500 -0.214 0.000 0.946 1241 K HN 0.008 nan 8.250 nan 0.000 0.473 1242 K N 3.233 123.418 120.400 -0.360 0.000 2.156 1242 K HA 0.284 4.604 4.320 0.000 0.000 0.271 1242 K C -0.616 175.729 176.600 -0.427 0.000 0.995 1242 K CA -0.444 55.691 56.287 -0.252 0.000 0.890 1242 K CB 0.908 33.334 32.500 -0.123 0.000 1.073 1242 K HN 0.377 nan 8.250 nan 0.000 0.454 1243 Y N -0.477 119.822 120.300 -0.001 0.000 2.562 1243 Y HA 0.236 4.786 4.550 0.000 0.000 0.343 1243 Y C 1.127 177.024 175.900 -0.006 0.000 1.025 1243 Y CA -0.807 57.293 58.100 -0.001 0.000 1.082 1243 Y CB 1.637 40.098 38.460 0.002 0.000 1.264 1243 Y HN 0.563 nan 8.280 nan 0.000 0.478 1244 T N -2.064 112.583 114.554 0.156 0.000 2.881 1244 T HA 0.291 4.641 4.350 0.000 0.000 0.278 1244 T C -2.210 172.526 174.700 0.061 0.000 0.982 1244 T CA -2.111 60.036 62.100 0.078 0.000 0.989 1244 T CB 1.519 70.419 68.868 0.054 0.000 1.058 1244 T HN 0.302 nan 8.240 nan 0.000 0.529 1245 P HA -0.035 nan 4.420 nan 0.000 0.218 1245 P C 1.071 178.371 177.300 -0.001 0.000 1.149 1245 P CA 0.958 64.055 63.100 -0.004 0.000 0.817 1245 P CB 0.036 31.725 31.700 -0.019 0.000 0.785 1246 E N -0.461 119.749 120.200 0.016 0.000 2.072 1246 E HA -0.170 4.180 4.350 0.000 0.000 0.191 1246 E C 2.138 178.750 176.600 0.020 0.000 0.985 1246 E CA 1.077 57.487 56.400 0.017 0.000 0.801 1246 E CB -0.753 28.961 29.700 0.025 0.000 0.750 1246 E HN 0.383 nan 8.360 nan 0.000 0.452 1247 Q N 0.248 120.075 119.800 0.044 0.000 2.046 1247 Q HA -0.105 4.235 4.340 0.000 0.000 0.200 1247 Q C 2.346 178.341 176.000 -0.009 0.000 0.975 1247 Q CA 1.408 57.241 55.803 0.049 0.000 0.836 1247 Q CB -0.146 28.679 28.738 0.144 0.000 0.896 1247 Q HN 0.156 nan 8.270 nan 0.000 0.428 1248 V N 1.192 121.095 119.914 -0.018 0.000 2.343 1248 V HA -0.297 3.823 4.120 0.000 0.000 0.247 1248 V C 2.303 178.358 176.094 -0.064 0.000 1.051 1248 V CA 1.855 64.117 62.300 -0.063 0.000 1.036 1248 V CB -0.991 30.799 31.823 -0.056 0.000 0.654 1248 V HN 0.410 nan 8.190 nan 0.000 0.451 1249 A N -0.607 122.182 122.820 -0.051 0.000 1.883 1249 A HA -0.291 4.029 4.320 0.000 0.000 0.217 1249 A C 2.164 179.736 177.584 -0.020 0.000 1.186 1249 A CA 2.499 54.506 52.037 -0.050 0.000 0.624 1249 A CB -0.563 18.418 19.000 -0.032 0.000 0.822 1249 A HN 0.468 nan 8.150 nan 0.000 0.444 1250 M N 0.331 119.925 119.600 -0.011 0.000 2.067 1250 M HA -0.032 4.448 4.480 0.000 0.000 0.260 1250 M C 2.205 178.509 176.300 0.008 0.000 1.069 1250 M CA 1.846 57.145 55.300 -0.002 0.000 1.117 1250 M CB -0.899 31.703 32.600 0.004 0.000 1.334 1250 M HN 0.376 nan 8.290 nan 0.000 0.407 1251 A N -1.166 121.651 122.820 -0.004 0.000 1.908 1251 A HA -0.187 4.133 4.320 0.000 0.000 0.218 1251 A C 2.212 179.817 177.584 0.034 0.000 1.181 1251 A CA 2.478 54.518 52.037 0.005 0.000 0.627 1251 A CB -1.483 17.492 19.000 -0.041 0.000 0.818 1251 A HN 0.601 nan 8.150 nan 0.000 0.445 1252 T N -0.276 114.291 114.554 0.021 0.000 2.614 1252 T HA -0.128 4.222 4.350 0.000 0.000 0.263 1252 T C 1.902 176.679 174.700 0.129 0.000 1.055 1252 T CA 1.801 63.938 62.100 0.061 0.000 1.162 1252 T CB -0.593 68.270 68.868 -0.009 0.000 0.863 1252 T HN 0.166 nan 8.240 nan 0.000 0.414 1253 V N 1.672 121.658 119.914 0.119 0.000 2.490 1253 V HA -0.188 3.932 4.120 0.000 0.000 0.250 1253 V C 2.751 178.949 176.094 0.173 0.000 1.061 1253 V CA 1.938 64.341 62.300 0.173 0.000 1.064 1253 V CB -1.313 30.573 31.823 0.104 0.000 0.670 1253 V HN 0.553 nan 8.190 nan 0.000 0.461 1254 T N 0.595 115.222 114.554 0.122 0.000 2.708 1254 T HA -0.175 4.175 4.350 0.000 0.000 0.266 1254 T C 2.107 177.002 174.700 0.325 0.000 1.037 1254 T CA 1.790 64.028 62.100 0.230 0.000 1.146 1254 T CB -0.433 68.516 68.868 0.134 0.000 0.865 1254 T HN 0.589 nan 8.240 nan 0.000 0.435 1255 A N 0.969 123.902 122.820 0.187 0.000 1.902 1255 A HA 0.011 4.331 4.320 0.000 0.000 0.217 1255 A C 2.187 179.858 177.584 0.145 0.000 1.181 1255 A CA 1.161 53.278 52.037 0.134 0.000 0.623 1255 A CB -0.713 18.340 19.000 0.088 0.000 0.818 1255 A HN 0.331 nan 8.150 nan 0.000 0.443 1256 L N -0.185 121.149 121.223 0.185 0.000 2.056 1256 L HA -0.130 4.210 4.340 0.000 0.000 0.207 1256 L C 2.413 179.484 176.870 0.336 0.000 1.078 1256 L CA 2.391 57.323 54.840 0.153 0.000 0.749 1256 L CB -1.224 40.871 42.059 0.061 0.000 0.901 1256 L HN 0.824 nan 8.230 nan 0.000 0.433 1257 H N -1.925 117.330 119.070 0.308 0.000 2.559 1257 H HA 0.060 4.616 4.556 0.000 0.000 0.273 1257 H C 1.692 177.102 175.328 0.137 0.000 1.000 1257 H CA 0.635 56.855 56.048 0.288 0.000 1.195 1257 H CB 0.029 29.895 29.762 0.173 0.000 1.368 1257 H HN 0.197 nan 8.280 nan 0.000 0.592 1258 R N 0.264 120.708 120.500 -0.094 0.000 2.334 1258 R HA 0.095 4.435 4.340 0.000 0.000 0.216 1258 R C 0.828 177.088 176.300 -0.067 0.000 0.905 1258 R CA 1.012 57.003 56.100 -0.183 0.000 1.064 1258 R CB 0.669 30.892 30.300 -0.128 0.000 1.046 1258 R HN 0.604 nan 8.270 nan 0.000 0.508 1259 T N -4.036 110.509 114.554 -0.014 0.000 3.168 1259 T HA 0.137 4.487 4.350 0.000 0.000 0.261 1259 T C 0.585 175.205 174.700 -0.133 0.000 0.931 1259 T CA -0.199 61.884 62.100 -0.029 0.000 0.949 1259 T CB 0.090 68.967 68.868 0.015 0.000 1.229 1259 T HN -0.168 nan 8.240 nan 0.000 0.504 1260 V N 4.727 124.548 119.914 -0.155 0.000 2.427 1260 V HA 0.383 4.503 4.120 0.000 0.000 0.268 1260 V C -2.391 173.626 176.094 -0.129 0.000 1.046 1260 V CA -1.794 60.242 62.300 -0.440 0.000 0.970 1260 V CB 0.465 32.011 31.823 -0.463 0.000 1.001 1260 V HN 0.279 nan 8.190 nan 0.000 0.476 1261 P HA 0.092 nan 4.420 nan 0.000 0.268 1261 P C 0.623 177.995 177.300 0.120 0.000 1.208 1261 P CA 0.012 63.066 63.100 -0.076 0.000 0.777 1261 P CB 0.735 32.359 31.700 -0.127 0.000 0.875 1262 A N 2.689 125.543 122.820 0.056 0.000 2.168 1262 A HA 0.005 4.325 4.320 0.000 0.000 0.215 1262 A C 1.975 179.586 177.584 0.046 0.000 1.152 1262 A CA 1.472 53.511 52.037 0.002 0.000 0.716 1262 A CB -1.261 17.654 19.000 -0.141 0.000 0.794 1262 A HN 0.553 nan 8.150 nan 0.000 0.465 1263 A N -0.393 122.439 122.820 0.020 0.000 2.067 1263 A HA 0.213 4.534 4.320 0.000 0.000 0.219 1263 A C 0.987 178.560 177.584 -0.018 0.000 1.158 1263 A CA 0.662 52.687 52.037 -0.020 0.000 0.661 1263 A CB -0.511 18.462 19.000 -0.044 0.000 0.801 1263 A HN 0.277 nan 8.150 nan 0.000 0.452 1264 V N 2.339 122.280 119.914 0.045 0.000 2.446 1264 V HA 0.062 4.182 4.120 0.000 0.000 0.276 1264 V C -0.898 175.242 176.094 0.078 0.000 1.030 1264 V CA -0.626 61.688 62.300 0.023 0.000 1.033 1264 V CB 0.944 32.747 31.823 -0.032 0.000 0.993 1264 V HN 0.386 nan 8.190 nan 0.000 0.477 1265 P HA 0.044 nan 4.420 nan 0.000 0.219 1265 P C 0.604 177.914 177.300 0.016 0.000 1.150 1265 P CA 1.057 64.163 63.100 0.010 0.000 0.814 1265 P CB 0.556 32.230 31.700 -0.044 0.000 0.787 1266 G N -0.506 108.260 108.800 -0.056 0.000 2.742 1266 G HA2 0.575 4.535 3.960 0.000 0.000 0.296 1266 G HA3 0.575 4.535 3.960 0.000 0.000 0.296 1266 G C -1.727 173.033 174.900 -0.232 0.000 1.436 1266 G CA -0.495 44.540 45.100 -0.108 0.000 0.928 1266 G HN -0.041 nan 8.290 nan 0.000 0.520 1267 I N 0.773 121.151 120.570 -0.319 0.000 2.382 1267 I HA 0.327 4.498 4.170 0.000 0.000 0.286 1267 I C -0.522 175.279 176.117 -0.527 0.000 1.002 1267 I CA -0.632 60.361 61.300 -0.513 0.000 1.135 1267 I CB 1.957 39.492 38.000 -0.775 0.000 1.288 1267 I HN 0.324 nan 8.210 nan 0.000 0.448 1268 C N 6.462 125.482 119.300 -0.467 0.000 2.293 1268 C HA 0.487 4.947 4.460 0.000 0.000 0.323 1268 C C 0.088 174.902 174.990 -0.292 0.000 1.240 1268 C CA -0.807 58.001 59.018 -0.351 0.000 1.497 1268 C CB -0.446 27.133 27.740 -0.269 0.000 2.171 1268 C HN 0.450 nan 8.230 nan 0.000 0.465 1269 F N 3.639 123.594 119.950 0.009 0.000 2.471 1269 F HA 0.421 4.948 4.527 0.000 0.000 0.353 1269 F C 0.707 176.660 175.800 0.256 0.000 1.113 1269 F CA -0.675 57.398 58.000 0.120 0.000 1.262 1269 F CB 0.417 39.524 39.000 0.178 0.000 1.146 1269 F HN 0.451 nan 8.300 nan 0.000 0.578 1270 L N 0.144 121.605 121.223 0.396 0.000 2.375 1270 L HA 0.469 4.809 4.340 0.000 0.000 0.271 1270 L C 0.897 177.969 176.870 0.336 0.000 1.107 1270 L CA -0.234 54.811 54.840 0.342 0.000 0.806 1270 L CB 0.778 42.952 42.059 0.191 0.000 1.146 1270 L HN 0.629 nan 8.230 nan 0.000 0.447 1271 S N 0.130 115.960 115.700 0.217 0.000 2.489 1271 S HA 0.106 4.576 4.470 0.000 0.000 0.228 1271 S C 1.455 176.035 174.600 -0.034 0.000 0.995 1271 S CA 0.140 58.271 58.200 -0.115 0.000 0.934 1271 S CB -0.972 62.013 63.200 -0.358 0.000 0.771 1271 S HN 1.542 nan 8.310 nan 0.000 0.522 1272 G N 1.693 110.521 108.800 0.046 0.000 2.422 1272 G HA2 0.051 4.011 3.960 0.000 0.000 0.301 1272 G HA3 0.051 4.011 3.960 0.000 0.000 0.301 1272 G C 0.950 175.893 174.900 0.072 0.000 0.981 1272 G CA 0.269 45.403 45.100 0.057 0.000 0.994 1272 G HN 1.787 nan 8.290 nan 0.000 0.514 1273 G N -1.787 107.033 108.800 0.035 0.000 2.176 1273 G HA2 -0.260 3.700 3.960 0.000 0.000 0.252 1273 G HA3 -0.260 3.700 3.960 0.000 0.000 0.252 1273 G C 0.372 175.275 174.900 0.004 0.000 1.024 1273 G CA 0.891 46.006 45.100 0.026 0.000 0.755 1273 G HN 0.956 nan 8.290 nan 0.000 0.507 1274 M N 1.244 120.823 119.600 -0.036 0.000 2.288 1274 M HA 0.472 4.952 4.480 0.000 0.000 0.334 1274 M C 1.339 177.581 176.300 -0.096 0.000 1.150 1274 M CA -0.105 55.157 55.300 -0.063 0.000 1.118 1274 M CB 1.059 33.588 32.600 -0.119 0.000 1.501 1274 M HN 0.530 nan 8.290 nan 0.000 0.462 1275 S N 1.122 116.774 115.700 -0.080 0.000 2.585 1275 S HA 0.114 4.584 4.470 0.000 0.000 0.273 1275 S C 0.646 175.183 174.600 -0.105 0.000 1.339 1275 S CA -0.584 57.572 58.200 -0.073 0.000 1.028 1275 S CB 0.732 63.903 63.200 -0.048 0.000 0.906 1275 S HN 0.790 nan 8.310 nan 0.000 0.528 1276 E N 0.905 121.055 120.200 -0.082 0.000 2.130 1276 E HA -0.262 4.088 4.350 0.000 0.000 0.196 1276 E C 1.867 178.402 176.600 -0.108 0.000 0.998 1276 E CA 1.612 57.956 56.400 -0.094 0.000 0.806 1276 E CB -0.128 29.551 29.700 -0.035 0.000 0.738 1276 E HN 0.917 nan 8.360 nan 0.000 0.459 1277 E N 0.825 120.984 120.200 -0.069 0.000 2.047 1277 E HA -0.204 4.146 4.350 0.000 0.000 0.191 1277 E C 1.545 178.067 176.600 -0.131 0.000 0.987 1277 E CA 1.291 57.649 56.400 -0.070 0.000 0.799 1277 E CB 0.152 29.854 29.700 0.002 0.000 0.752 1277 E HN 0.130 nan 8.360 nan 0.000 0.449 1278 D N 0.466 120.799 120.400 -0.111 0.000 2.097 1278 D HA -0.154 4.486 4.640 0.000 0.000 0.195 1278 D C 1.860 178.071 176.300 -0.150 0.000 0.989 1278 D CA 1.403 55.334 54.000 -0.114 0.000 0.827 1278 D CB -0.441 40.311 40.800 -0.081 0.000 0.966 1278 D HN 0.304 nan 8.370 nan 0.000 0.456 1279 A N 0.285 122.985 122.820 -0.201 0.000 1.978 1279 A HA -0.174 4.146 4.320 0.000 0.000 0.220 1279 A C 2.313 179.824 177.584 -0.122 0.000 1.170 1279 A CA 2.089 53.965 52.037 -0.268 0.000 0.636 1279 A CB -0.684 17.941 19.000 -0.626 0.000 0.810 1279 A HN 0.252 nan 8.150 nan 0.000 0.448 1280 T N -0.049 114.388 114.554 -0.195 0.000 2.852 1280 T HA 0.074 4.424 4.350 0.000 0.000 0.256 1280 T C 1.838 176.346 174.700 -0.320 0.000 1.038 1280 T CA 1.064 62.983 62.100 -0.302 0.000 1.141 1280 T CB -0.297 68.242 68.868 -0.549 0.000 0.869 1280 T HN 0.340 nan 8.240 nan 0.000 0.439 1281 L N 1.321 122.379 121.223 -0.275 0.000 2.017 1281 L HA -0.130 4.210 4.340 0.000 0.000 0.208 1281 L C 2.562 179.374 176.870 -0.097 0.000 1.073 1281 L CA 1.078 55.820 54.840 -0.164 0.000 0.745 1281 L CB -0.683 41.279 42.059 -0.161 0.000 0.894 1281 L HN 0.207 nan 8.230 nan 0.000 0.432 1282 N N 0.180 118.817 118.700 -0.106 0.000 2.084 1282 N HA -0.191 4.549 4.740 0.000 0.000 0.190 1282 N C 1.732 177.172 175.510 -0.116 0.000 1.030 1282 N CA 1.109 54.096 53.050 -0.106 0.000 0.849 1282 N CB -0.489 37.921 38.487 -0.128 0.000 1.012 1282 N HN 0.133 nan 8.380 nan 0.000 0.423 1283 L N 1.435 122.604 121.223 -0.089 0.000 2.083 1283 L HA -0.100 4.241 4.340 0.000 0.000 0.209 1283 L C 1.797 178.668 176.870 0.002 0.000 1.083 1283 L CA 1.612 56.427 54.840 -0.042 0.000 0.752 1283 L CB -0.987 41.124 42.059 0.086 0.000 0.899 1283 L HN 0.125 nan 8.230 nan 0.000 0.433 1284 N N -0.186 118.510 118.700 -0.006 0.000 2.084 1284 N HA -0.164 4.576 4.740 0.000 0.000 0.190 1284 N C 1.848 177.384 175.510 0.043 0.000 1.030 1284 N CA 1.756 54.834 53.050 0.047 0.000 0.849 1284 N CB -0.319 38.224 38.487 0.094 0.000 1.012 1284 N HN 0.446 nan 8.380 nan 0.000 0.423 1285 A N 0.558 123.386 122.820 0.013 0.000 1.940 1285 A HA -0.086 4.234 4.320 0.000 0.000 0.219 1285 A C 2.321 179.908 177.584 0.005 0.000 1.176 1285 A CA 1.171 53.213 52.037 0.008 0.000 0.631 1285 A CB -0.844 18.149 19.000 -0.011 0.000 0.814 1285 A HN 0.439 nan 8.150 nan 0.000 0.446 1286 I N 0.017 120.577 120.570 -0.017 0.000 2.361 1286 I HA -0.231 3.939 4.170 0.000 0.000 0.251 1286 I C 1.660 177.820 176.117 0.072 0.000 1.133 1286 I CA 1.080 62.380 61.300 -0.000 0.000 1.413 1286 I CB -0.325 37.624 38.000 -0.085 0.000 1.073 1286 I HN 0.376 nan 8.210 nan 0.000 0.424 1287 N N 0.128 118.875 118.700 0.077 0.000 2.412 1287 N HA 0.013 4.753 4.740 0.000 0.000 0.184 1287 N C 1.378 176.926 175.510 0.064 0.000 1.101 1287 N CA 0.559 53.664 53.050 0.093 0.000 0.881 1287 N CB 0.640 39.189 38.487 0.104 0.000 0.969 1287 N HN 0.231 nan 8.380 nan 0.000 0.459 1288 L N 0.273 121.525 121.223 0.049 0.000 2.590 1288 L HA 0.174 4.514 4.340 0.000 0.000 0.227 1288 L C 0.730 177.614 176.870 0.023 0.000 1.099 1288 L CA 0.030 54.892 54.840 0.036 0.000 0.872 1288 L CB -0.288 41.793 42.059 0.036 0.000 1.088 1288 L HN 0.035 nan 8.230 nan 0.000 0.479 1289 C N 3.252 122.566 119.300 0.023 0.000 2.590 1289 C HA 0.079 4.539 4.460 0.000 0.000 0.411 1289 C C -0.208 174.779 174.990 -0.005 0.000 1.420 1289 C CA -0.999 58.024 59.018 0.008 0.000 1.643 1289 C CB 0.248 27.994 27.740 0.010 0.000 2.528 1289 C HN 0.317 nan 8.230 nan 0.000 0.606 1290 P HA -0.053 nan 4.420 nan 0.000 0.228 1290 P C 0.472 177.741 177.300 -0.052 0.000 1.151 1290 P CA 0.616 63.701 63.100 -0.026 0.000 0.770 1290 P CB 0.042 31.730 31.700 -0.019 0.000 0.786 1291 L N 0.978 122.150 121.223 -0.085 0.000 2.479 1291 L HA 0.183 4.523 4.340 0.000 0.000 0.270 1291 L C -1.849 174.935 176.870 -0.143 0.000 1.236 1291 L CA -1.454 53.289 54.840 -0.163 0.000 0.823 1291 L CB -1.391 40.477 42.059 -0.317 0.000 1.098 1291 L HN -0.164 nan 8.230 nan 0.000 0.500 1292 P HA 0.118 nan 4.420 nan 0.000 0.267 1292 P C -1.218 175.939 177.300 -0.240 0.000 1.209 1292 P CA 0.192 63.210 63.100 -0.137 0.000 0.763 1292 P CB 0.278 31.955 31.700 -0.039 0.000 0.816 1293 K N 4.606 124.809 120.400 -0.329 0.000 2.827 1293 K HA 0.193 4.513 4.320 0.000 0.000 0.186 1293 K C -1.762 174.453 176.600 -0.643 0.000 1.093 1293 K CA -1.028 54.943 56.287 -0.526 0.000 0.993 1293 K CB 1.314 33.768 32.500 -0.077 0.000 1.199 1293 K HN 0.348 nan 8.250 nan 0.000 0.598 1294 P HA -0.103 nan 4.420 nan 0.000 0.234 1294 P C -0.662 176.337 177.300 -0.502 0.000 1.167 1294 P CA 0.515 63.183 63.100 -0.721 0.000 0.763 1294 P CB 0.168 31.424 31.700 -0.741 0.000 0.835 1295 W N -0.434 120.847 121.300 -0.033 0.000 2.902 1295 W HA 0.483 5.143 4.660 0.000 0.000 0.346 1295 W C -0.195 176.301 176.519 -0.038 0.000 1.139 1295 W CA -1.408 55.907 57.345 -0.049 0.000 1.139 1295 W CB 0.513 29.929 29.460 -0.074 0.000 1.439 1295 W HN -0.446 nan 8.180 nan 0.000 0.558 1296 K N 2.114 122.673 120.400 0.265 0.000 2.448 1296 K HA 0.237 4.557 4.320 0.000 0.000 0.278 1296 K C -0.399 176.283 176.600 0.137 0.000 1.009 1296 K CA -0.153 56.221 56.287 0.145 0.000 0.995 1296 K CB 0.784 33.304 32.500 0.034 0.000 0.917 1296 K HN 0.441 nan 8.250 nan 0.000 0.481 1297 L N 2.103 123.421 121.223 0.159 0.000 2.356 1297 L HA 0.210 4.550 4.340 0.000 0.000 0.264 1297 L C 0.484 177.462 176.870 0.179 0.000 1.029 1297 L CA -0.300 54.656 54.840 0.193 0.000 0.897 1297 L CB 1.333 43.606 42.059 0.355 0.000 1.256 1297 L HN 0.552 nan 8.230 nan 0.000 0.444 1298 S N 1.983 117.709 115.700 0.044 0.000 2.786 1298 S HA 0.784 5.254 4.470 0.000 0.000 0.302 1298 S C -0.806 173.817 174.600 0.038 0.000 1.080 1298 S CA -0.450 57.749 58.200 -0.002 0.000 0.925 1298 S CB 1.181 64.229 63.200 -0.253 0.000 1.325 1298 S HN 0.308 nan 8.310 nan 0.000 0.576 1299 F N -0.261 119.554 119.950 -0.225 0.000 2.593 1299 F HA 0.833 5.360 4.527 0.000 0.000 0.320 1299 F C -0.166 175.394 175.800 -0.400 0.000 1.060 1299 F CA -0.886 56.797 58.000 -0.528 0.000 0.940 1299 F CB 1.735 39.993 39.000 -1.236 0.000 1.268 1299 F HN 0.329 nan 8.300 nan 0.000 0.475 1300 S N 1.931 117.539 115.700 -0.154 0.000 2.486 1300 S HA 0.399 4.869 4.470 0.000 0.000 0.144 1300 S C -1.515 173.265 174.600 0.300 0.000 1.542 1300 S CA -0.324 57.891 58.200 0.024 0.000 1.262 1300 S CB -0.541 62.665 63.200 0.011 0.000 1.462 1300 S HN 0.651 nan 8.310 nan 0.000 0.381 1301 Y N 0.567 121.059 120.300 0.320 0.000 2.320 1301 Y HA 0.507 5.057 4.550 0.000 0.000 0.324 1301 Y C 1.537 177.545 175.900 0.179 0.000 1.190 1301 Y CA -0.666 57.571 58.100 0.228 0.000 1.215 1301 Y CB 1.494 40.074 38.460 0.200 0.000 1.221 1301 Y HN 0.550 nan 8.280 nan 0.000 0.486 1302 G N 1.563 110.537 108.800 0.290 0.000 2.613 1302 G HA2 -0.046 3.914 3.960 0.000 0.000 0.218 1302 G HA3 -0.046 3.914 3.960 0.000 0.000 0.218 1302 G C 1.202 176.185 174.900 0.138 0.000 1.508 1302 G CA -0.139 45.070 45.100 0.182 0.000 0.788 1302 G HN 0.548 nan 8.290 nan 0.000 0.603 1303 R N 0.738 121.285 120.500 0.077 0.000 2.115 1303 R HA 0.193 4.533 4.340 0.000 0.000 0.230 1303 R C 2.475 178.790 176.300 0.025 0.000 1.111 1303 R CA 1.576 57.700 56.100 0.040 0.000 0.976 1303 R CB -0.407 29.895 30.300 0.003 0.000 0.870 1303 R HN 0.284 nan 8.270 nan 0.000 0.445 1304 A N -0.365 122.441 122.820 -0.022 0.000 2.168 1304 A HA 0.021 4.341 4.320 0.000 0.000 0.215 1304 A C 1.762 179.376 177.584 0.051 0.000 1.152 1304 A CA 0.789 52.770 52.037 -0.092 0.000 0.716 1304 A CB -0.154 18.584 19.000 -0.436 0.000 0.794 1304 A HN 0.377 nan 8.150 nan 0.000 0.465 1305 L N -2.304 119.019 121.223 0.167 0.000 2.672 1305 L HA 0.106 4.446 4.340 0.000 0.000 0.236 1305 L C 2.045 179.081 176.870 0.277 0.000 1.092 1305 L CA 0.402 55.396 54.840 0.258 0.000 0.887 1305 L CB 0.216 42.502 42.059 0.378 0.000 1.168 1305 L HN 0.414 nan 8.230 nan 0.000 0.502 1306 Q N -1.084 118.832 119.800 0.193 0.000 2.322 1306 Q HA 0.214 4.554 4.340 0.000 0.000 0.250 1306 Q C 2.174 178.269 176.000 0.158 0.000 0.853 1306 Q CA 0.547 56.469 55.803 0.198 0.000 0.951 1306 Q CB 0.558 29.416 28.738 0.200 0.000 1.114 1306 Q HN 0.361 nan 8.270 nan 0.000 0.523 1307 A N 1.834 124.711 122.820 0.096 0.000 1.894 1307 A HA -0.333 3.987 4.320 0.000 0.000 0.220 1307 A C 2.263 179.889 177.584 0.070 0.000 1.237 1307 A CA 2.673 54.743 52.037 0.055 0.000 0.660 1307 A CB -1.029 17.987 19.000 0.027 0.000 0.835 1307 A HN 0.458 nan 8.150 nan 0.000 0.461 1308 S N -0.289 115.465 115.700 0.091 0.000 2.428 1308 S HA 0.193 4.663 4.470 0.000 0.000 0.230 1308 S C 2.041 176.726 174.600 0.142 0.000 1.014 1308 S CA 1.217 59.476 58.200 0.098 0.000 0.957 1308 S CB -0.596 62.659 63.200 0.091 0.000 0.784 1308 S HN 0.998 nan 8.310 nan 0.000 0.499 1309 A N 1.799 124.735 122.820 0.193 0.000 1.898 1309 A HA 0.143 4.463 4.320 0.000 0.000 0.216 1309 A C 2.172 179.953 177.584 0.328 0.000 1.181 1309 A CA 1.306 53.503 52.037 0.267 0.000 0.620 1309 A CB -0.812 18.362 19.000 0.290 0.000 0.819 1309 A HN 0.459 nan 8.150 nan 0.000 0.442 1310 L N -0.432 120.916 121.223 0.207 0.000 2.083 1310 L HA -0.052 4.288 4.340 0.000 0.000 0.209 1310 L C 2.683 179.609 176.870 0.093 0.000 1.083 1310 L CA 1.837 56.647 54.840 -0.050 0.000 0.752 1310 L CB -0.437 41.487 42.059 -0.226 0.000 0.899 1310 L HN 0.349 nan 8.230 nan 0.000 0.433 1311 A N -1.049 121.828 122.820 0.095 0.000 1.968 1311 A HA 0.039 4.359 4.320 0.000 0.000 0.217 1311 A C 2.309 179.961 177.584 0.113 0.000 1.169 1311 A CA 1.267 53.352 52.037 0.080 0.000 0.638 1311 A CB -0.759 18.276 19.000 0.058 0.000 0.812 1311 A HN 0.464 nan 8.150 nan 0.000 0.446 1312 A N -2.237 120.683 122.820 0.167 0.000 2.123 1312 A HA 0.107 4.427 4.320 0.000 0.000 0.214 1312 A C 1.730 179.460 177.584 0.243 0.000 1.152 1312 A CA 0.957 53.097 52.037 0.172 0.000 0.728 1312 A CB -0.505 18.596 19.000 0.170 0.000 0.814 1312 A HN 0.760 nan 8.150 nan 0.000 0.464 1313 W N 0.211 121.556 121.300 0.074 0.000 2.474 1313 W HA 0.232 4.892 4.660 0.000 0.000 0.319 1313 W C 1.754 178.289 176.519 0.027 0.000 1.165 1313 W CA 2.094 59.488 57.345 0.080 0.000 1.356 1313 W CB -0.585 28.956 29.460 0.135 0.000 1.172 1313 W HN 0.636 nan 8.180 nan 0.000 0.478 1314 G N -0.485 108.285 108.800 -0.050 0.000 2.168 1314 G HA2 -0.114 3.846 3.960 0.000 0.000 0.263 1314 G HA3 -0.114 3.846 3.960 0.000 0.000 0.263 1314 G C 1.229 175.749 174.900 -0.633 0.000 0.977 1314 G CA 1.197 46.138 45.100 -0.265 0.000 0.659 1314 G HN 1.625 nan 8.290 nan 0.000 0.533 1315 G N -1.599 106.294 108.800 -1.512 0.000 2.157 1315 G HA2 -0.192 3.768 3.960 0.000 0.000 0.248 1315 G HA3 -0.192 3.768 3.960 0.000 0.000 0.248 1315 G C 0.099 174.372 174.900 -1.046 0.000 0.979 1315 G CA 1.057 45.097 45.100 -1.766 0.000 0.650 1315 G HN 1.144 nan 8.290 nan 0.000 0.529 1316 K N 0.120 120.025 120.400 -0.825 0.000 2.265 1316 K HA 0.729 5.049 4.320 0.000 0.000 0.267 1316 K C 1.255 177.810 176.600 -0.076 0.000 0.994 1316 K CA 0.026 56.124 56.287 -0.315 0.000 0.860 1316 K CB 1.652 34.040 32.500 -0.187 0.000 1.099 1316 K HN 0.315 nan 8.250 nan 0.000 0.448 1317 A N 2.817 125.672 122.820 0.058 0.000 2.070 1317 A HA -0.197 4.123 4.320 0.000 0.000 0.220 1317 A C 1.931 179.586 177.584 0.120 0.000 1.159 1317 A CA 1.609 53.751 52.037 0.174 0.000 0.656 1317 A CB -0.456 18.625 19.000 0.135 0.000 0.800 1317 A HN 0.958 nan 8.150 nan 0.000 0.453 1318 E N 0.193 120.427 120.200 0.058 0.000 2.265 1318 E HA -0.194 4.156 4.350 0.000 0.000 0.196 1318 E C 0.313 176.952 176.600 0.065 0.000 0.996 1318 E CA 1.308 57.735 56.400 0.044 0.000 0.832 1318 E CB -0.159 29.547 29.700 0.010 0.000 0.756 1318 E HN 0.512 nan 8.360 nan 0.000 0.491 1319 N N 0.758 119.516 118.700 0.096 0.000 2.273 1319 N HA 0.031 4.771 4.740 0.000 0.000 0.231 1319 N C 0.634 176.264 175.510 0.201 0.000 1.134 1319 N CA 0.027 53.155 53.050 0.130 0.000 0.856 1319 N CB 0.546 39.106 38.487 0.121 0.000 1.068 1319 N HN 0.219 nan 8.380 nan 0.000 0.510 1320 K N 1.615 122.130 120.400 0.192 0.000 2.001 1320 K HA -0.145 4.175 4.320 0.000 0.000 0.214 1320 K C 1.786 178.461 176.600 0.125 0.000 1.050 1320 K CA 1.286 57.679 56.287 0.176 0.000 0.934 1320 K CB 0.151 32.730 32.500 0.131 0.000 0.718 1320 K HN -0.059 nan 8.250 nan 0.000 0.443 1321 K N 0.053 120.513 120.400 0.100 0.000 2.059 1321 K HA -0.209 4.111 4.320 0.000 0.000 0.212 1321 K C 2.028 178.684 176.600 0.092 0.000 1.050 1321 K CA 1.657 57.994 56.287 0.083 0.000 0.927 1321 K CB -0.298 32.243 32.500 0.068 0.000 0.714 1321 K HN 0.327 nan 8.250 nan 0.000 0.447 1322 A N 0.371 123.254 122.820 0.104 0.000 1.933 1322 A HA -0.139 4.181 4.320 0.000 0.000 0.218 1322 A C 2.210 179.874 177.584 0.134 0.000 1.175 1322 A CA 2.212 54.315 52.037 0.109 0.000 0.628 1322 A CB -0.805 18.259 19.000 0.108 0.000 0.814 1322 A HN 0.407 nan 8.150 nan 0.000 0.444 1323 T N 0.081 114.731 114.554 0.160 0.000 2.708 1323 T HA -0.177 4.173 4.350 0.000 0.000 0.266 1323 T C 2.062 176.839 174.700 0.128 0.000 1.037 1323 T CA 1.701 63.902 62.100 0.168 0.000 1.146 1323 T CB -0.293 68.678 68.868 0.171 0.000 0.865 1323 T HN 0.626 nan 8.240 nan 0.000 0.435 1324 Q N 0.614 120.475 119.800 0.102 0.000 2.124 1324 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 1324 Q C 2.424 178.514 176.000 0.151 0.000 0.977 1324 Q CA 1.239 57.120 55.803 0.130 0.000 0.850 1324 Q CB -0.129 28.665 28.738 0.092 0.000 0.901 1324 Q HN 0.622 nan 8.270 nan 0.000 0.429 1325 E N 0.349 120.616 120.200 0.112 0.000 2.072 1325 E HA -0.151 4.199 4.350 0.000 0.000 0.191 1325 E C 1.997 178.652 176.600 0.092 0.000 0.985 1325 E CA 0.822 57.273 56.400 0.085 0.000 0.801 1325 E CB -0.080 29.663 29.700 0.072 0.000 0.750 1325 E HN 0.333 nan 8.360 nan 0.000 0.452 1326 A N 1.082 123.977 122.820 0.126 0.000 1.902 1326 A HA -0.183 4.137 4.320 0.000 0.000 0.217 1326 A C 1.959 179.644 177.584 0.168 0.000 1.181 1326 A CA 1.044 53.161 52.037 0.134 0.000 0.623 1326 A CB -0.748 18.343 19.000 0.151 0.000 0.818 1326 A HN 0.376 nan 8.150 nan 0.000 0.443 1327 F N -0.377 119.595 119.950 0.037 0.000 2.113 1327 F HA -0.180 4.347 4.527 0.000 0.000 0.297 1327 F C 2.352 178.169 175.800 0.029 0.000 1.103 1327 F CA 1.712 59.728 58.000 0.027 0.000 1.248 1327 F CB -0.111 38.882 39.000 -0.011 0.000 0.999 1327 F HN 0.083 nan 8.300 nan 0.000 0.475 1328 M N 0.835 120.328 119.600 -0.179 0.000 2.108 1328 M HA -0.251 4.229 4.480 0.000 0.000 0.261 1328 M C 2.244 178.438 176.300 -0.177 0.000 1.066 1328 M CA 1.741 56.880 55.300 -0.268 0.000 1.107 1328 M CB -1.152 31.393 32.600 -0.091 0.000 1.356 1328 M HN 0.221 nan 8.290 nan 0.000 0.406 1329 K N -0.386 119.974 120.400 -0.068 0.000 2.026 1329 K HA -0.171 4.149 4.320 0.000 0.000 0.208 1329 K C 2.074 178.646 176.600 -0.046 0.000 1.048 1329 K CA 1.163 57.434 56.287 -0.026 0.000 0.929 1329 K CB 0.048 32.561 32.500 0.022 0.000 0.713 1329 K HN 0.128 nan 8.250 nan 0.000 0.439 1330 R N 0.090 120.559 120.500 -0.051 0.000 2.096 1330 R HA -0.093 4.247 4.340 0.000 0.000 0.235 1330 R C 2.226 178.430 176.300 -0.159 0.000 1.127 1330 R CA 1.329 57.391 56.100 -0.064 0.000 0.968 1330 R CB -0.674 29.637 30.300 0.018 0.000 0.861 1330 R HN 0.321 nan 8.270 nan 0.000 0.440 1331 A N 0.430 123.107 122.820 -0.239 0.000 1.898 1331 A HA -0.069 4.251 4.320 0.000 0.000 0.216 1331 A C 2.476 179.975 177.584 -0.143 0.000 1.181 1331 A CA 1.219 53.109 52.037 -0.244 0.000 0.620 1331 A CB -0.443 18.303 19.000 -0.422 0.000 0.819 1331 A HN 0.091 nan 8.150 nan 0.000 0.442 1332 V N -0.497 119.349 119.914 -0.114 0.000 2.307 1332 V HA -0.207 3.913 4.120 0.000 0.000 0.245 1332 V C 2.585 178.674 176.094 -0.008 0.000 1.045 1332 V CA 1.901 64.178 62.300 -0.039 0.000 1.024 1332 V CB -0.650 31.160 31.823 -0.022 0.000 0.651 1332 V HN 0.357 nan 8.190 nan 0.000 0.449 1333 V N 0.687 120.591 119.914 -0.018 0.000 2.287 1333 V HA -0.263 3.857 4.120 0.000 0.000 0.248 1333 V C 2.324 178.352 176.094 -0.109 0.000 1.053 1333 V CA 2.265 64.580 62.300 0.025 0.000 1.027 1333 V CB -0.785 31.050 31.823 0.020 0.000 0.646 1333 V HN 0.584 nan 8.190 nan 0.000 0.447 1334 N N -0.773 117.764 118.700 -0.271 0.000 2.244 1334 N HA -0.166 4.574 4.740 0.000 0.000 0.183 1334 N C 1.850 177.240 175.510 -0.201 0.000 1.016 1334 N CA 1.653 54.422 53.050 -0.470 0.000 0.866 1334 N CB -0.645 37.152 38.487 -1.150 0.000 0.980 1334 N HN 0.597 nan 8.380 nan 0.000 0.430 1335 C N 1.353 120.649 119.300 -0.006 0.000 2.435 1335 C HA -0.004 4.456 4.460 0.000 0.000 0.279 1335 C C 2.497 177.566 174.990 0.132 0.000 1.321 1335 C CA 0.684 59.824 59.018 0.203 0.000 1.752 1335 C CB -0.813 27.020 27.740 0.154 0.000 1.959 1335 C HN 0.413 nan 8.230 nan 0.000 0.500 1336 Q N 0.316 120.175 119.800 0.098 0.000 2.083 1336 Q HA -0.037 4.303 4.340 0.000 0.000 0.198 1336 Q C 2.573 178.659 176.000 0.144 0.000 0.969 1336 Q CA 1.615 57.496 55.803 0.131 0.000 0.838 1336 Q CB -0.304 28.548 28.738 0.189 0.000 0.900 1336 Q HN 0.784 nan 8.270 nan 0.000 0.436 1337 A N 1.094 123.974 122.820 0.100 0.000 1.972 1337 A HA -0.096 4.224 4.320 0.000 0.000 0.219 1337 A C 2.167 179.815 177.584 0.107 0.000 1.169 1337 A CA 1.516 53.595 52.037 0.070 0.000 0.635 1337 A CB -0.578 18.368 19.000 -0.089 0.000 0.810 1337 A HN 0.375 nan 8.150 nan 0.000 0.446 1338 A N -1.577 121.330 122.820 0.146 0.000 2.239 1338 A HA 0.067 4.387 4.320 0.000 0.000 0.209 1338 A C 1.656 179.316 177.584 0.127 0.000 1.171 1338 A CA 1.043 53.185 52.037 0.175 0.000 0.768 1338 A CB -0.056 19.086 19.000 0.237 0.000 0.790 1338 A HN 0.269 nan 8.150 nan 0.000 0.478 1339 K N -1.639 118.828 120.400 0.112 0.000 2.402 1339 K HA 0.208 4.528 4.320 0.000 0.000 0.204 1339 K C 0.950 177.601 176.600 0.085 0.000 1.056 1339 K CA 0.582 56.922 56.287 0.088 0.000 1.069 1339 K CB 0.379 32.926 32.500 0.078 0.000 0.888 1339 K HN 0.628 nan 8.250 nan 0.000 0.546 1340 G N 2.368 111.228 108.800 0.099 0.000 2.179 1340 G HA2 -0.321 3.639 3.960 0.000 0.000 0.257 1340 G HA3 -0.321 3.639 3.960 0.000 0.000 0.257 1340 G C 0.450 175.406 174.900 0.094 0.000 1.010 1340 G CA 0.605 45.761 45.100 0.094 0.000 0.736 1340 G HN 0.425 nan 8.290 nan 0.000 0.513 1341 Q N -1.443 118.423 119.800 0.109 0.000 2.198 1341 Q HA 0.276 4.616 4.340 0.000 0.000 0.209 1341 Q C 0.272 176.341 176.000 0.116 0.000 0.848 1341 Q CA -0.582 55.275 55.803 0.091 0.000 0.974 1341 Q CB 0.588 29.369 28.738 0.071 0.000 1.115 1341 Q HN 0.612 nan 8.270 nan 0.000 0.494 1342 Y N 2.070 122.388 120.300 0.031 0.000 2.585 1342 Y HA 0.210 4.760 4.550 0.000 0.000 0.354 1342 Y C -0.144 175.785 175.900 0.048 0.000 1.024 1342 Y CA -1.226 56.895 58.100 0.035 0.000 1.321 1342 Y CB 0.288 38.764 38.460 0.026 0.000 1.151 1342 Y HN -0.135 nan 8.280 nan 0.000 0.525 1343 V N 4.486 124.177 119.914 -0.372 0.000 2.488 1343 V HA 0.186 4.307 4.120 0.000 0.000 0.277 1343 V C 0.971 176.686 176.094 -0.633 0.000 1.046 1343 V CA -0.571 61.535 62.300 -0.323 0.000 0.986 1343 V CB 0.847 32.566 31.823 -0.173 0.000 0.989 1343 V HN 0.879 nan 8.190 nan 0.000 0.475 1344 H N 4.434 123.181 119.070 -0.539 0.000 2.973 1344 H HA 0.031 4.587 4.556 0.000 0.000 0.305 1344 H C 1.031 176.208 175.328 -0.252 0.000 1.008 1344 H CA 2.042 57.827 56.048 -0.438 0.000 1.111 1344 H CB -0.318 29.407 29.762 -0.062 0.000 1.572 1344 H HN 0.735 nan 8.280 nan 0.000 0.805 1345 T N 2.200 116.546 114.554 -0.347 0.000 2.978 1345 T HA 0.413 4.763 4.350 0.000 0.000 0.278 1345 T C 0.621 175.213 174.700 -0.180 0.000 0.945 1345 T CA 0.258 62.156 62.100 -0.337 0.000 1.070 1345 T CB -0.830 67.859 68.868 -0.298 0.000 0.948 1345 T HN 0.888 nan 8.240 nan 0.000 0.617 1346 G N 3.118 111.821 108.800 -0.162 0.000 2.601 1346 G HA2 -0.203 3.758 3.960 0.000 0.000 0.261 1346 G HA3 -0.203 3.758 3.960 0.000 0.000 0.261 1346 G C 0.132 174.973 174.900 -0.098 0.000 1.289 1346 G CA -0.137 44.898 45.100 -0.107 0.000 0.920 1346 G HN 1.580 nan 8.290 nan 0.000 0.571 1347 S N -2.045 113.616 115.700 -0.064 0.000 2.606 1347 S HA 0.637 5.107 4.470 0.000 0.000 0.156 1347 S C -0.531 174.051 174.600 -0.029 0.000 1.308 1347 S CA 0.797 58.967 58.200 -0.050 0.000 1.228 1347 S CB 0.829 64.001 63.200 -0.047 0.000 1.568 1347 S HN 1.900 nan 8.310 nan 0.000 0.397 1348 S N 0.748 116.432 115.700 -0.027 0.000 2.575 1348 S HA 0.766 5.236 4.470 0.000 0.000 0.278 1348 S C 0.523 175.118 174.600 -0.009 0.000 1.139 1348 S CA -0.158 58.035 58.200 -0.011 0.000 0.954 1348 S CB 1.189 64.388 63.200 -0.001 0.000 1.054 1348 S HN 0.902 nan 8.310 nan 0.000 0.483 1349 G N 2.125 110.923 108.800 -0.002 0.000 2.611 1349 G HA2 0.560 4.520 3.960 0.000 0.000 0.273 1349 G HA3 0.560 4.520 3.960 0.000 0.000 0.273 1349 G C 0.352 175.255 174.900 0.004 0.000 1.305 1349 G CA -0.127 44.973 45.100 -0.000 0.000 1.010 1349 G HN 1.168 nan 8.290 nan 0.000 0.509 1350 A N -1.183 121.640 122.820 0.004 0.000 2.520 1350 A HA 0.586 4.906 4.320 0.000 0.000 0.235 1350 A C 0.822 178.415 177.584 0.016 0.000 1.065 1350 A CA 1.289 53.330 52.037 0.006 0.000 0.764 1350 A CB 0.035 19.038 19.000 0.005 0.000 1.002 1350 A HN 2.208 nan 8.150 nan 0.000 0.502 1351 A N 0.341 123.174 122.820 0.022 0.000 5.810 1351 A HA 0.739 5.059 4.320 0.000 0.000 0.151 1351 A C 0.204 177.816 177.584 0.046 0.000 0.903 1351 A CA 0.367 52.428 52.037 0.041 0.000 1.207 1351 A CB -0.421 18.615 19.000 0.061 0.000 2.339 1351 A HN 2.278 nan 8.150 nan 0.000 1.102 1352 S N -0.762 114.988 115.700 0.083 0.000 3.974 1352 S HA 0.161 4.631 4.470 0.000 0.000 0.641 1352 S C -0.151 174.524 174.600 0.125 0.000 0.627 1352 S CA 1.126 59.377 58.200 0.086 0.000 1.384 1352 S CB -1.800 61.408 63.200 0.013 0.000 0.778 1352 S HN 2.185 nan 8.310 nan 0.000 0.856 1353 T N 0.053 114.737 114.554 0.217 0.000 4.982 1353 T HA -0.108 4.242 4.350 0.000 0.000 0.298 1353 T C 0.727 175.488 174.700 0.103 0.000 1.471 1353 T CA 0.663 62.868 62.100 0.174 0.000 2.777 1353 T CB -1.014 67.921 68.868 0.110 0.000 1.605 1353 T HN 0.665 nan 8.240 nan 0.000 1.073 1354 Q N 0.132 120.007 119.800 0.126 0.000 2.036 1354 Q HA 0.157 4.497 4.340 0.000 0.000 0.195 1354 Q C 1.766 177.769 176.000 0.004 0.000 0.971 1354 Q CA 1.588 57.430 55.803 0.065 0.000 0.826 1354 Q CB 0.251 29.042 28.738 0.089 0.000 0.896 1354 Q HN 0.460 nan 8.270 nan 0.000 0.449 1355 S N -2.162 113.505 115.700 -0.056 0.000 6.462 1355 S HA 0.179 4.649 4.470 0.000 0.000 0.096 1355 S C -1.920 172.474 174.600 -0.343 0.000 1.299 1355 S CA -0.245 57.870 58.200 -0.143 0.000 1.233 1355 S CB -0.280 62.866 63.200 -0.090 0.000 1.853 1355 S HN 0.147 nan 8.310 nan 0.000 0.591 1356 L N 3.538 124.543 121.223 -0.363 0.000 2.518 1356 L HA 0.623 4.963 4.340 0.000 0.000 0.262 1356 L C -0.392 176.273 176.870 -0.342 0.000 0.982 1356 L CA -0.620 53.913 54.840 -0.512 0.000 0.873 1356 L CB 0.890 42.792 42.059 -0.262 0.000 1.198 1356 L HN 0.533 nan 8.230 nan 0.000 0.427 1357 F N 1.562 121.507 119.950 -0.009 0.000 2.383 1357 F HA 0.673 5.200 4.527 0.000 0.000 0.241 1357 F C 1.340 177.125 175.800 -0.025 0.000 1.184 1357 F CA 0.489 58.480 58.000 -0.015 0.000 0.992 1357 F CB -0.978 38.015 39.000 -0.012 0.000 1.036 1357 F HN 0.389 nan 8.300 nan 0.000 0.605 1358 T N -1.373 113.496 114.554 0.524 0.000 5.412 1358 T HA -0.014 4.336 4.350 0.000 0.000 0.268 1358 T C 0.254 174.941 174.700 -0.023 0.000 2.215 1358 T CA 0.322 62.523 62.100 0.169 0.000 3.797 1358 T CB -1.782 67.150 68.868 0.107 0.000 0.325 1358 T HN 0.871 nan 8.240 nan 0.000 0.658 1359 A N 1.491 124.303 122.820 -0.013 0.000 2.437 1359 A HA 0.798 5.118 4.320 0.000 0.000 0.303 1359 A C 0.469 177.951 177.584 -0.169 0.000 1.324 1359 A CA 0.913 52.895 52.037 -0.092 0.000 0.983 1359 A CB 0.313 19.289 19.000 -0.040 0.000 1.142 1359 A HN 0.451 nan 8.150 nan 0.000 0.541 1360 S N 1.133 116.716 115.700 -0.195 0.000 3.003 1360 S HA 0.560 5.030 4.470 0.000 0.000 0.313 1360 S C 0.717 175.319 174.600 0.003 0.000 1.230 1360 S CA -0.089 58.048 58.200 -0.104 0.000 0.977 1360 S CB -0.451 62.671 63.200 -0.131 0.000 1.340 1360 S HN 0.774 nan 8.310 nan 0.000 0.608 1361 Y N 0.628 120.832 120.300 -0.160 0.000 1.341 1361 Y HA -0.394 4.156 4.550 0.000 0.000 0.088 1361 Y C 1.838 177.653 175.900 -0.140 0.000 0.622 1361 Y CA 1.567 59.594 58.100 -0.122 0.000 0.307 1361 Y CB -1.692 36.716 38.460 -0.088 0.000 0.531 1361 Y HN 0.695 nan 8.280 nan 0.000 0.797 1362 T N -4.235 110.334 114.554 0.024 0.000 3.404 1362 T HA 0.284 4.634 4.350 0.000 0.000 0.110 1362 T C -1.235 173.298 174.700 -0.279 0.000 0.732 1362 T CA -0.161 61.857 62.100 -0.136 0.000 0.698 1362 T CB 0.364 69.221 68.868 -0.018 0.000 1.109 1362 T HN 0.478 nan 8.240 nan 0.000 0.242 1363 Y N 0.000 120.306 120.300 0.010 0.000 2.660 1363 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 1363 Y CA 0.000 58.093 58.100 -0.011 0.000 1.940 1363 Y CB 0.000 38.455 38.460 -0.009 0.000 1.050 1363 Y HN 0.000 nan 8.280 nan 0.000 0.758