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 1cli_1_B DATA FIRST_RESID 1021 DATA SEQUENCE ALVGRIKGVV KKTRRPEVMG GLGGFGALCA LPQKYREPVL VSGTDGVGTK DATA SEQUENCE LRLAMDLKRH DTIGIDLVAM CVNDLVVQGA EPLFFLDYYA TGKLDVDTAS DATA SEQUENCE AVISGIAEGC LQSGCSLVGG ETAEMPGMYH GEDYDVAGFC VGVVEKSEII DATA SEQUENCE DGSKVSDGDV LIALGSSGPH SNGYSLVRKI LEVSGCDPQT TELDGKPLAD DATA SEQUENCE HLLAPTRIYV KSVLELIEKV DVHAIAHLTG GGFWENIPRV LPDNTQAVID DATA SEQUENCE ESSWQWPEVF NWLQTAGNVE HHEMYRTFNC GVGMIIALPA PEVDKALALL DATA SEQUENCE NANGENAWKI GIIKASDSEQ RVVIE 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 1021 A HA 0.000 nan 4.320 nan 0.000 0.244 1021 A C 0.000 177.547 177.584 -0.061 0.000 1.274 1021 A CA 0.000 52.008 52.037 -0.048 0.000 0.836 1021 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 1022 L N 1.606 122.782 121.223 -0.078 0.000 2.093 1022 L HA -0.031 4.309 4.340 0.000 0.000 0.208 1022 L C 2.363 179.177 176.870 -0.092 0.000 1.085 1022 L CA 3.070 57.848 54.840 -0.104 0.000 0.755 1022 L CB -0.400 41.573 42.059 -0.143 0.000 0.904 1022 L HN 0.963 nan 8.230 nan 0.000 0.435 1023 V N -2.325 117.544 119.914 -0.075 0.000 2.720 1023 V HA -0.032 4.088 4.120 0.000 0.000 0.256 1023 V C 2.277 178.340 176.094 -0.053 0.000 1.082 1023 V CA 1.583 63.846 62.300 -0.062 0.000 1.101 1023 V CB -1.932 29.860 31.823 -0.050 0.000 0.693 1023 V HN 0.428 nan 8.190 nan 0.000 0.479 1024 G N 0.207 108.976 108.800 -0.052 0.000 2.403 1024 G HA2 -0.130 3.830 3.960 0.000 0.000 0.216 1024 G HA3 -0.130 3.830 3.960 0.000 0.000 0.216 1024 G C 1.768 176.641 174.900 -0.045 0.000 1.154 1024 G CA 0.553 45.627 45.100 -0.044 0.000 0.784 1024 G HN 0.516 nan 8.290 nan 0.000 0.538 1025 R N -0.023 120.444 120.500 -0.054 0.000 2.275 1025 R HA 0.193 4.533 4.340 0.000 0.000 0.199 1025 R C 2.058 178.325 176.300 -0.056 0.000 0.989 1025 R CA 0.646 56.713 56.100 -0.054 0.000 1.016 1025 R CB -0.078 30.185 30.300 -0.062 0.000 0.918 1025 R HN 0.650 nan 8.270 nan 0.000 0.473 1026 I N -3.133 117.401 120.570 -0.059 0.000 4.082 1026 I HA 0.183 4.353 4.170 0.000 0.000 0.337 1026 I C 1.647 177.741 176.117 -0.040 0.000 1.352 1026 I CA -0.129 61.139 61.300 -0.055 0.000 1.097 1026 I CB 0.349 38.306 38.000 -0.070 0.000 1.048 1026 I HN -0.242 nan 8.210 nan 0.000 0.393 1027 K N 2.271 122.649 120.400 -0.037 0.000 2.097 1027 K HA -0.033 4.287 4.320 0.000 0.000 0.206 1027 K C 1.904 178.490 176.600 -0.024 0.000 1.049 1027 K CA 1.806 58.075 56.287 -0.029 0.000 0.933 1027 K CB -0.486 31.996 32.500 -0.030 0.000 0.717 1027 K HN 0.553 nan 8.250 nan 0.000 0.442 1028 G N 0.722 109.507 108.800 -0.025 0.000 2.404 1028 G HA2 -0.184 3.776 3.960 0.000 0.000 0.214 1028 G HA3 -0.184 3.776 3.960 0.000 0.000 0.214 1028 G C 1.549 176.437 174.900 -0.020 0.000 1.189 1028 G CA 1.174 46.261 45.100 -0.022 0.000 0.789 1028 G HN 0.249 nan 8.290 nan 0.000 0.533 1029 V N -0.552 119.348 119.914 -0.024 0.000 2.568 1029 V HA -0.133 3.987 4.120 0.000 0.000 0.253 1029 V C 2.501 178.587 176.094 -0.014 0.000 1.072 1029 V CA 2.026 64.313 62.300 -0.022 0.000 1.084 1029 V CB -0.628 31.177 31.823 -0.029 0.000 0.676 1029 V HN 0.143 nan 8.190 nan 0.000 0.469 1030 V N -0.652 119.256 119.914 -0.010 0.000 2.725 1030 V HA 0.025 4.145 4.120 0.000 0.000 0.247 1030 V C 2.745 178.842 176.094 0.004 0.000 1.058 1030 V CA 1.518 63.821 62.300 0.004 0.000 1.080 1030 V CB -0.541 31.286 31.823 0.006 0.000 0.713 1030 V HN 0.408 nan 8.190 nan 0.000 0.465 1031 K N 1.393 121.790 120.400 -0.004 0.000 2.155 1031 K HA -0.077 4.243 4.320 0.000 0.000 0.203 1031 K C 1.916 178.514 176.600 -0.003 0.000 1.052 1031 K CA 0.997 57.281 56.287 -0.004 0.000 0.948 1031 K CB -0.255 32.239 32.500 -0.010 0.000 0.728 1031 K HN 0.635 nan 8.250 nan 0.000 0.448 1032 K N -0.176 120.220 120.400 -0.006 0.000 2.551 1032 K HA 0.033 4.353 4.320 0.000 0.000 0.192 1032 K C 1.264 177.862 176.600 -0.004 0.000 1.027 1032 K CA 0.837 57.120 56.287 -0.007 0.000 1.059 1032 K CB 0.220 32.713 32.500 -0.011 0.000 0.831 1032 K HN -0.248 nan 8.250 nan 0.000 0.508 1033 T N 0.218 114.774 114.554 0.003 0.000 2.985 1033 T HA 0.111 4.461 4.350 0.000 0.000 0.254 1033 T C 0.190 174.903 174.700 0.022 0.000 1.021 1033 T CA -0.378 61.728 62.100 0.009 0.000 0.957 1033 T CB 0.091 68.967 68.868 0.013 0.000 1.047 1033 T HN 0.239 nan 8.240 nan 0.000 0.511 1034 R N 2.096 122.608 120.500 0.019 0.000 2.585 1034 R HA 0.145 4.486 4.340 0.000 0.000 0.275 1034 R C -0.094 176.221 176.300 0.025 0.000 1.018 1034 R CA 0.487 56.600 56.100 0.023 0.000 1.072 1034 R CB 0.416 30.723 30.300 0.012 0.000 0.953 1034 R HN 0.258 nan 8.270 nan 0.000 0.419 1035 R N 3.743 124.263 120.500 0.035 0.000 2.758 1035 R HA 0.220 4.560 4.340 0.000 0.000 0.265 1035 R C -1.665 174.653 176.300 0.030 0.000 1.016 1035 R CA -1.972 54.150 56.100 0.037 0.000 1.040 1035 R CB 0.973 31.307 30.300 0.057 0.000 1.152 1035 R HN 0.472 nan 8.270 nan 0.000 0.503 1036 P HA -0.177 nan 4.420 nan 0.000 0.221 1036 P C 0.289 177.604 177.300 0.025 0.000 1.145 1036 P CA 1.146 64.259 63.100 0.022 0.000 0.795 1036 P CB 0.271 31.984 31.700 0.021 0.000 0.775 1037 E N -1.160 119.062 120.200 0.037 0.000 2.479 1037 E HA 0.058 4.408 4.350 0.000 0.000 0.193 1037 E C 0.073 176.688 176.600 0.026 0.000 1.049 1037 E CA 0.137 56.560 56.400 0.039 0.000 0.870 1037 E CB -0.178 29.560 29.700 0.062 0.000 0.944 1037 E HN 0.050 nan 8.360 nan 0.000 0.492 1038 V N 2.078 122.002 119.914 0.018 0.000 2.530 1038 V HA 0.124 4.244 4.120 0.000 0.000 0.282 1038 V C 1.177 177.261 176.094 -0.016 0.000 1.048 1038 V CA 0.128 62.425 62.300 -0.006 0.000 0.997 1038 V CB 1.182 33.005 31.823 -0.001 0.000 0.987 1038 V HN 0.192 nan 8.190 nan 0.000 0.477 1039 M N 2.866 122.446 119.600 -0.033 0.000 2.653 1039 M HA 0.366 4.846 4.480 0.000 0.000 0.259 1039 M C 0.880 177.157 176.300 -0.038 0.000 1.244 1039 M CA 0.621 55.903 55.300 -0.030 0.000 1.163 1039 M CB 0.909 33.492 32.600 -0.028 0.000 1.309 1039 M HN 0.780 nan 8.290 nan 0.000 0.509 1040 G N -0.724 108.043 108.800 -0.054 0.000 2.687 1040 G HA2 0.678 4.638 3.960 0.000 0.000 0.291 1040 G HA3 0.678 4.638 3.960 0.000 0.000 0.291 1040 G C -1.356 173.506 174.900 -0.063 0.000 1.420 1040 G CA -0.295 44.772 45.100 -0.055 0.000 0.796 1040 G HN 0.286 nan 8.290 nan 0.000 0.485 1041 G N -1.941 106.826 108.800 -0.055 0.000 2.368 1041 G HA2 0.513 4.473 3.960 0.000 0.000 0.301 1041 G HA3 0.513 4.473 3.960 0.000 0.000 0.301 1041 G C 0.193 175.068 174.900 -0.042 0.000 1.640 1041 G CA 0.018 45.090 45.100 -0.046 0.000 0.941 1041 G HN 1.711 nan 8.290 nan 0.000 0.695 1042 L N -1.632 119.571 121.223 -0.034 0.000 5.051 1042 L HA -0.199 4.141 4.340 0.000 0.000 0.432 1042 L C 1.357 178.174 176.870 -0.088 0.000 1.055 1042 L CA 1.373 56.188 54.840 -0.042 0.000 1.095 1042 L CB -0.999 41.043 42.059 -0.029 0.000 1.957 1042 L HN 1.345 nan 8.230 nan 0.000 0.727 1043 G N 0.100 108.836 108.800 -0.106 0.000 3.102 1043 G HA2 0.581 4.541 3.960 0.000 0.000 0.345 1043 G HA3 0.581 4.541 3.960 0.000 0.000 0.345 1043 G C 0.487 175.264 174.900 -0.205 0.000 1.200 1043 G CA 0.558 45.574 45.100 -0.140 0.000 1.163 1043 G HN 0.739 nan 8.290 nan 0.000 0.465 1044 G N 0.806 109.387 108.800 -0.366 0.000 2.526 1044 G HA2 0.048 4.008 3.960 0.000 0.000 0.250 1044 G HA3 0.048 4.008 3.960 0.000 0.000 0.250 1044 G C -0.656 173.865 174.900 -0.631 0.000 1.289 1044 G CA -0.822 43.932 45.100 -0.578 0.000 0.947 1044 G HN 0.711 nan 8.290 nan 0.000 0.517 1045 F N 1.647 121.593 119.950 -0.006 0.000 2.389 1045 F HA 0.638 5.165 4.527 0.000 0.000 0.327 1045 F C 0.930 176.724 175.800 -0.011 0.000 1.204 1045 F CA -0.322 57.676 58.000 -0.003 0.000 1.209 1045 F CB 1.502 40.504 39.000 0.003 0.000 1.460 1045 F HN 1.344 nan 8.300 nan 0.000 0.537 1046 G N 1.111 109.961 108.800 0.083 0.000 3.163 1046 G HA2 0.466 4.426 3.960 0.000 0.000 0.266 1046 G HA3 0.466 4.426 3.960 0.000 0.000 0.266 1046 G C -0.843 174.040 174.900 -0.027 0.000 3.692 1046 G CA -0.516 44.605 45.100 0.033 0.000 0.490 1046 G HN 0.650 nan 8.290 nan 0.000 0.318 1047 A N 2.146 124.932 122.820 -0.056 0.000 2.440 1047 A HA 0.727 5.047 4.320 0.000 0.000 0.251 1047 A C 0.413 177.890 177.584 -0.179 0.000 1.089 1047 A CA 0.078 52.041 52.037 -0.123 0.000 0.779 1047 A CB 0.376 19.277 19.000 -0.165 0.000 1.022 1047 A HN 0.799 nan 8.150 nan 0.000 0.492 1048 L N 1.886 123.022 121.223 -0.146 0.000 2.295 1048 L HA 0.540 4.880 4.340 0.000 0.000 0.285 1048 L C -0.332 176.448 176.870 -0.150 0.000 1.035 1048 L CA -0.404 54.359 54.840 -0.128 0.000 0.806 1048 L CB 1.436 43.453 42.059 -0.071 0.000 1.214 1048 L HN 0.756 nan 8.230 nan 0.000 0.426 1049 C N 3.536 122.752 119.300 -0.140 0.000 2.705 1049 C HA 0.712 5.173 4.460 0.000 0.000 0.369 1049 C C 0.326 175.320 174.990 0.007 0.000 1.069 1049 C CA -0.609 58.358 59.018 -0.083 0.000 1.260 1049 C CB 0.470 28.109 27.740 -0.168 0.000 1.764 1049 C HN 0.936 nan 8.230 nan 0.000 0.469 1050 A N 5.926 128.762 122.820 0.027 0.000 2.351 1050 A HA 0.612 4.933 4.320 0.000 0.000 0.257 1050 A C -0.065 177.565 177.584 0.078 0.000 1.087 1050 A CA -0.254 51.811 52.037 0.046 0.000 0.798 1050 A CB 0.298 19.320 19.000 0.037 0.000 1.033 1050 A HN 0.886 nan 8.150 nan 0.000 0.488 1051 L N 1.629 122.900 121.223 0.079 0.000 2.439 1051 L HA 0.255 4.595 4.340 0.000 0.000 0.269 1051 L C -1.940 175.008 176.870 0.129 0.000 1.179 1051 L CA -1.063 53.835 54.840 0.095 0.000 0.828 1051 L CB 0.035 42.138 42.059 0.074 0.000 1.106 1051 L HN 0.466 nan 8.230 nan 0.000 0.467 1052 P HA 0.054 nan 4.420 nan 0.000 0.268 1052 P C 0.419 177.842 177.300 0.205 0.000 1.204 1052 P CA -0.232 62.997 63.100 0.215 0.000 0.768 1052 P CB 0.409 32.313 31.700 0.340 0.000 0.842 1053 Q N 4.296 124.154 119.800 0.096 0.000 2.181 1053 Q HA -0.257 4.084 4.340 0.000 0.000 0.205 1053 Q C 1.456 177.462 176.000 0.011 0.000 0.980 1053 Q CA 1.542 57.378 55.803 0.055 0.000 0.862 1053 Q CB -0.616 28.137 28.738 0.024 0.000 0.905 1053 Q HN 0.470 nan 8.270 nan 0.000 0.429 1054 K N 0.136 120.488 120.400 -0.081 0.000 2.152 1054 K HA -0.153 4.167 4.320 0.000 0.000 0.206 1054 K C -0.290 176.167 176.600 -0.239 0.000 1.048 1054 K CA 0.769 56.927 56.287 -0.215 0.000 0.933 1054 K CB -0.431 31.844 32.500 -0.375 0.000 0.721 1054 K HN 0.213 nan 8.250 nan 0.000 0.447 1055 Y N 1.799 122.103 120.300 0.007 0.000 2.402 1055 Y HA 0.147 4.697 4.550 0.000 0.000 0.333 1055 Y C 1.464 177.368 175.900 0.007 0.000 1.076 1055 Y CA -0.557 57.547 58.100 0.006 0.000 1.299 1055 Y CB 0.915 39.379 38.460 0.007 0.000 1.197 1055 Y HN -0.054 nan 8.280 nan 0.000 0.517 1056 R N 1.553 122.136 120.500 0.137 0.000 2.057 1056 R HA -0.021 4.319 4.340 0.000 0.000 0.224 1056 R C 0.097 176.449 176.300 0.087 0.000 1.136 1056 R CA 0.882 57.032 56.100 0.083 0.000 0.968 1056 R CB 0.268 30.598 30.300 0.051 0.000 0.863 1056 R HN 0.627 nan 8.270 nan 0.000 0.433 1057 E N 1.620 121.880 120.200 0.099 0.000 2.795 1057 E HA 0.221 4.572 4.350 0.000 0.000 0.226 1057 E C -2.514 174.124 176.600 0.063 0.000 1.088 1057 E CA -2.305 54.135 56.400 0.066 0.000 0.812 1057 E CB 1.210 30.938 29.700 0.046 0.000 1.328 1057 E HN 0.006 nan 8.360 nan 0.000 0.410 1058 P HA 0.077 nan 4.420 nan 0.000 0.276 1058 P C -0.572 176.672 177.300 -0.093 0.000 1.230 1058 P CA -0.259 62.790 63.100 -0.084 0.000 0.776 1058 P CB 1.583 33.212 31.700 -0.119 0.000 0.888 1059 V N 4.597 124.429 119.914 -0.137 0.000 2.531 1059 V HA 0.282 4.402 4.120 0.000 0.000 0.301 1059 V C 0.428 176.442 176.094 -0.133 0.000 1.034 1059 V CA -0.834 61.408 62.300 -0.096 0.000 0.865 1059 V CB 1.748 33.534 31.823 -0.061 0.000 0.995 1059 V HN 0.365 nan 8.190 nan 0.000 0.424 1060 L N 5.100 126.262 121.223 -0.101 0.000 2.319 1060 L HA 0.520 4.860 4.340 0.000 0.000 0.280 1060 L C -0.391 176.415 176.870 -0.108 0.000 1.099 1060 L CA -0.423 54.346 54.840 -0.117 0.000 0.828 1060 L CB 1.047 43.060 42.059 -0.078 0.000 1.150 1060 L HN 0.349 nan 8.230 nan 0.000 0.442 1061 V N 2.469 122.299 119.914 -0.141 0.000 2.435 1061 V HA 0.601 4.721 4.120 0.000 0.000 0.290 1061 V C 0.113 176.107 176.094 -0.166 0.000 1.030 1061 V CA -0.335 61.894 62.300 -0.120 0.000 0.881 1061 V CB 1.589 33.348 31.823 -0.107 0.000 0.983 1061 V HN 0.945 nan 8.190 nan 0.000 0.445 1062 S N 2.702 118.325 115.700 -0.129 0.000 2.588 1062 S HA 0.999 5.469 4.470 0.000 0.000 0.275 1062 S C -0.392 174.160 174.600 -0.080 0.000 1.130 1062 S CA -0.225 57.868 58.200 -0.178 0.000 0.855 1062 S CB 2.333 65.450 63.200 -0.139 0.000 1.116 1062 S HN 1.327 nan 8.310 nan 0.000 0.472 1063 G N -0.469 108.276 108.800 -0.092 0.000 2.608 1063 G HA2 0.697 4.657 3.960 0.000 0.000 0.291 1063 G HA3 0.697 4.657 3.960 0.000 0.000 0.291 1063 G C -1.411 173.532 174.900 0.071 0.000 1.425 1063 G CA -0.268 44.840 45.100 0.013 0.000 0.787 1063 G HN 1.057 nan 8.290 nan 0.000 0.484 1064 T N -0.770 113.846 114.554 0.103 0.000 2.932 1064 T HA 0.646 4.997 4.350 0.000 0.000 0.318 1064 T C -2.102 172.657 174.700 0.099 0.000 1.265 1064 T CA -0.428 61.746 62.100 0.124 0.000 1.036 1064 T CB 2.323 71.278 68.868 0.144 0.000 1.209 1064 T HN 0.696 nan 8.240 nan 0.000 0.484 1065 D N 0.347 120.813 120.400 0.110 0.000 2.738 1065 D HA 0.636 5.276 4.640 0.000 0.000 0.308 1065 D C -0.519 175.855 176.300 0.124 0.000 1.311 1065 D CA 0.106 54.172 54.000 0.109 0.000 0.799 1065 D CB 1.658 42.529 40.800 0.118 0.000 1.332 1065 D HN 0.906 nan 8.370 nan 0.000 0.441 1066 G N -0.930 107.937 108.800 0.112 0.000 2.816 1066 G HA2 0.494 4.455 3.960 0.000 0.000 0.288 1066 G HA3 0.494 4.455 3.960 0.000 0.000 0.288 1066 G C 0.516 175.476 174.900 0.100 0.000 1.334 1066 G CA -0.273 44.895 45.100 0.113 0.000 0.978 1066 G HN 0.276 nan 8.290 nan 0.000 0.493 1067 V N 0.204 120.169 119.914 0.085 0.000 2.407 1067 V HA 0.354 4.475 4.120 0.000 0.000 0.245 1067 V C 1.899 178.009 176.094 0.026 0.000 1.041 1067 V CA 2.069 64.400 62.300 0.050 0.000 1.040 1067 V CB -1.125 30.719 31.823 0.036 0.000 0.671 1067 V HN 1.832 nan 8.190 nan 0.000 0.455 1068 G N -0.097 108.719 108.800 0.027 0.000 2.512 1068 G HA2 -0.244 3.716 3.960 0.000 0.000 0.210 1068 G HA3 -0.244 3.716 3.960 0.000 0.000 0.210 1068 G C 0.423 175.327 174.900 0.005 0.000 1.295 1068 G CA -0.012 45.108 45.100 0.032 0.000 0.934 1068 G HN 0.135 nan 8.290 nan 0.000 0.554 1069 T N 0.487 115.068 114.554 0.044 0.000 3.025 1069 T HA -0.050 4.300 4.350 0.000 0.000 0.270 1069 T C 2.091 176.793 174.700 0.004 0.000 1.126 1069 T CA 1.838 63.968 62.100 0.051 0.000 1.105 1069 T CB -0.151 68.788 68.868 0.118 0.000 0.884 1069 T HN 0.618 nan 8.240 nan 0.000 0.522 1070 K N 0.834 121.159 120.400 -0.124 0.000 2.283 1070 K HA 0.049 4.369 4.320 0.000 0.000 0.202 1070 K C 1.964 178.444 176.600 -0.201 0.000 1.048 1070 K CA 0.656 56.709 56.287 -0.389 0.000 0.948 1070 K CB -0.204 31.843 32.500 -0.754 0.000 0.742 1070 K HN 0.341 nan 8.250 nan 0.000 0.458 1071 L N 0.301 121.446 121.223 -0.131 0.000 2.046 1071 L HA -0.167 4.173 4.340 0.000 0.000 0.208 1071 L C 2.336 179.127 176.870 -0.133 0.000 1.077 1071 L CA 1.332 56.091 54.840 -0.135 0.000 0.747 1071 L CB -0.232 41.704 42.059 -0.206 0.000 0.896 1071 L HN 0.157 nan 8.230 nan 0.000 0.432 1072 R N -0.708 119.737 120.500 -0.092 0.000 2.235 1072 R HA -0.119 4.221 4.340 0.000 0.000 0.213 1072 R C 1.985 178.276 176.300 -0.015 0.000 1.059 1072 R CA 0.654 56.725 56.100 -0.048 0.000 0.997 1072 R CB -0.145 30.148 30.300 -0.011 0.000 0.884 1072 R HN 0.206 nan 8.270 nan 0.000 0.462 1073 L N 0.264 121.476 121.223 -0.017 0.000 2.127 1073 L HA 0.146 4.486 4.340 0.000 0.000 0.203 1073 L C 2.165 179.009 176.870 -0.044 0.000 1.080 1073 L CA 1.471 56.314 54.840 0.005 0.000 0.768 1073 L CB -0.537 41.551 42.059 0.048 0.000 0.924 1073 L HN 0.048 nan 8.230 nan 0.000 0.444 1074 A N -0.556 122.212 122.820 -0.086 0.000 1.940 1074 A HA -0.270 4.050 4.320 0.000 0.000 0.219 1074 A C 2.306 179.752 177.584 -0.230 0.000 1.176 1074 A CA 2.279 54.220 52.037 -0.160 0.000 0.631 1074 A CB -0.669 18.257 19.000 -0.123 0.000 0.814 1074 A HN 0.533 nan 8.150 nan 0.000 0.446 1075 M N -0.069 119.487 119.600 -0.073 0.000 2.099 1075 M HA -0.105 4.375 4.480 0.000 0.000 0.262 1075 M C 1.279 177.582 176.300 0.006 0.000 1.067 1075 M CA 2.013 57.339 55.300 0.044 0.000 1.124 1075 M CB -0.433 32.211 32.600 0.074 0.000 1.353 1075 M HN 0.353 nan 8.290 nan 0.000 0.410 1076 D N -0.025 120.372 120.400 -0.006 0.000 2.104 1076 D HA -0.125 4.515 4.640 0.000 0.000 0.194 1076 D C 1.804 178.096 176.300 -0.012 0.000 0.994 1076 D CA 1.517 55.520 54.000 0.004 0.000 0.830 1076 D CB -0.376 40.432 40.800 0.013 0.000 0.959 1076 D HN 0.396 nan 8.370 nan 0.000 0.452 1077 L N -0.203 120.995 121.223 -0.042 0.000 2.599 1077 L HA 0.119 4.459 4.340 0.000 0.000 0.230 1077 L C 0.334 177.163 176.870 -0.070 0.000 1.141 1077 L CA 0.016 54.826 54.840 -0.050 0.000 0.877 1077 L CB -0.318 41.707 42.059 -0.056 0.000 1.009 1077 L HN -0.036 nan 8.230 nan 0.000 0.447 1078 K N 1.330 121.675 120.400 -0.091 0.000 3.148 1078 K HA -0.179 4.141 4.320 0.000 0.000 0.267 1078 K C -0.323 176.184 176.600 -0.154 0.000 0.996 1078 K CA 0.653 56.891 56.287 -0.082 0.000 0.737 1078 K CB -1.030 31.478 32.500 0.014 0.000 1.308 1078 K HN 0.409 nan 8.250 nan 0.000 0.470 1079 R N 0.581 120.881 120.500 -0.333 0.000 2.507 1079 R HA 0.212 4.552 4.340 0.000 0.000 0.298 1079 R C -0.051 176.041 176.300 -0.348 0.000 1.087 1079 R CA -0.695 55.264 56.100 -0.234 0.000 0.917 1079 R CB 0.852 31.077 30.300 -0.126 0.000 1.173 1079 R HN 0.250 nan 8.270 nan 0.000 0.472 1080 H N 0.694 119.793 119.070 0.048 0.000 2.592 1080 H HA 0.086 4.642 4.556 0.000 0.000 0.279 1080 H C 0.068 175.415 175.328 0.031 0.000 1.089 1080 H CA -0.124 55.967 56.048 0.071 0.000 1.150 1080 H CB 0.939 30.754 29.762 0.089 0.000 1.575 1080 H HN 0.504 nan 8.280 nan 0.000 0.547 1081 D N 0.811 121.258 120.400 0.079 0.000 2.178 1081 D HA -0.090 4.551 4.640 0.000 0.000 0.202 1081 D C 1.970 178.281 176.300 0.018 0.000 0.974 1081 D CA 1.595 55.618 54.000 0.038 0.000 0.841 1081 D CB 0.118 40.925 40.800 0.012 0.000 0.953 1081 D HN 0.443 nan 8.370 nan 0.000 0.478 1082 T N -2.075 112.485 114.554 0.010 0.000 3.054 1082 T HA 0.112 4.462 4.350 0.000 0.000 0.255 1082 T C 1.803 176.504 174.700 0.002 0.000 1.035 1082 T CA -0.288 61.808 62.100 -0.007 0.000 0.941 1082 T CB 0.066 68.920 68.868 -0.023 0.000 1.026 1082 T HN -0.146 nan 8.240 nan 0.000 0.533 1083 I N 2.938 123.531 120.570 0.039 0.000 2.361 1083 I HA 0.109 4.279 4.170 0.000 0.000 0.251 1083 I C 2.521 178.676 176.117 0.063 0.000 1.133 1083 I CA 0.806 62.142 61.300 0.059 0.000 1.413 1083 I CB -0.687 37.400 38.000 0.146 0.000 1.073 1083 I HN 0.456 nan 8.210 nan 0.000 0.424 1084 G N 0.078 108.912 108.800 0.057 0.000 2.443 1084 G HA2 -0.181 3.779 3.960 0.000 0.000 0.219 1084 G HA3 -0.181 3.779 3.960 0.000 0.000 0.219 1084 G C 1.710 176.591 174.900 -0.033 0.000 1.131 1084 G CA 0.696 45.817 45.100 0.035 0.000 0.775 1084 G HN 0.425 nan 8.290 nan 0.000 0.547 1085 I N 0.820 121.360 120.570 -0.050 0.000 2.252 1085 I HA -0.103 4.067 4.170 0.000 0.000 0.245 1085 I C 2.114 178.180 176.117 -0.085 0.000 1.102 1085 I CA 1.008 62.252 61.300 -0.092 0.000 1.385 1085 I CB -0.219 37.730 38.000 -0.086 0.000 1.064 1085 I HN 0.055 nan 8.210 nan 0.000 0.414 1086 D N 1.041 121.413 120.400 -0.046 0.000 2.178 1086 D HA -0.159 4.481 4.640 0.000 0.000 0.201 1086 D C 2.281 178.590 176.300 0.014 0.000 0.980 1086 D CA 1.092 55.075 54.000 -0.029 0.000 0.842 1086 D CB -0.003 40.784 40.800 -0.020 0.000 0.948 1086 D HN 0.316 nan 8.370 nan 0.000 0.472 1087 L N 0.834 122.081 121.223 0.041 0.000 1.994 1087 L HA -0.161 4.179 4.340 0.000 0.000 0.208 1087 L C 2.482 179.429 176.870 0.130 0.000 1.071 1087 L CA 1.080 55.994 54.840 0.124 0.000 0.745 1087 L CB -0.244 41.923 42.059 0.179 0.000 0.892 1087 L HN -0.085 nan 8.230 nan 0.000 0.431 1088 V N 0.151 120.017 119.914 -0.081 0.000 2.343 1088 V HA -0.260 3.860 4.120 0.000 0.000 0.247 1088 V C 2.764 178.803 176.094 -0.091 0.000 1.051 1088 V CA 1.616 63.741 62.300 -0.291 0.000 1.036 1088 V CB -0.966 30.501 31.823 -0.593 0.000 0.654 1088 V HN 0.558 nan 8.190 nan 0.000 0.451 1089 A N -0.907 121.860 122.820 -0.087 0.000 1.972 1089 A HA -0.228 4.092 4.320 0.000 0.000 0.219 1089 A C 2.116 179.713 177.584 0.021 0.000 1.169 1089 A CA 2.147 54.135 52.037 -0.081 0.000 0.635 1089 A CB -0.494 18.421 19.000 -0.141 0.000 0.810 1089 A HN 0.466 nan 8.150 nan 0.000 0.446 1090 M N -1.320 118.339 119.600 0.098 0.000 2.319 1090 M HA -0.043 4.437 4.480 0.000 0.000 0.265 1090 M C 1.807 178.210 176.300 0.171 0.000 1.068 1090 M CA 1.317 56.730 55.300 0.187 0.000 1.118 1090 M CB -0.413 32.284 32.600 0.161 0.000 1.395 1090 M HN 0.525 nan 8.290 nan 0.000 0.435 1091 C N -2.653 116.741 119.300 0.157 0.000 2.541 1091 C HA 0.125 4.585 4.460 0.000 0.000 0.284 1091 C C 2.558 177.591 174.990 0.071 0.000 1.341 1091 C CA 0.146 59.252 59.018 0.147 0.000 1.732 1091 C CB -0.621 27.280 27.740 0.268 0.000 2.126 1091 C HN 0.385 nan 8.230 nan 0.000 0.505 1092 V N 2.347 122.290 119.914 0.047 0.000 2.515 1092 V HA -0.118 4.002 4.120 0.000 0.000 0.250 1092 V C 1.936 177.983 176.094 -0.079 0.000 1.058 1092 V CA 1.953 64.239 62.300 -0.023 0.000 1.064 1092 V CB -0.530 31.264 31.823 -0.049 0.000 0.675 1092 V HN 0.528 nan 8.190 nan 0.000 0.461 1093 N N 0.103 118.716 118.700 -0.146 0.000 2.409 1093 N HA -0.078 4.662 4.740 0.000 0.000 0.179 1093 N C 1.323 176.683 175.510 -0.249 0.000 1.032 1093 N CA 1.130 53.990 53.050 -0.317 0.000 0.898 1093 N CB -0.214 37.794 38.487 -0.798 0.000 0.971 1093 N HN 0.495 nan 8.380 nan 0.000 0.441 1094 D N 0.113 120.468 120.400 -0.074 0.000 2.323 1094 D HA 0.089 4.729 4.640 0.000 0.000 0.209 1094 D C 1.906 178.200 176.300 -0.010 0.000 0.973 1094 D CA 0.142 54.159 54.000 0.028 0.000 0.874 1094 D CB 0.422 41.285 40.800 0.104 0.000 0.930 1094 D HN 0.251 nan 8.370 nan 0.000 0.521 1095 L N -0.134 121.066 121.223 -0.038 0.000 2.127 1095 L HA 0.007 4.347 4.340 0.000 0.000 0.203 1095 L C 2.347 179.189 176.870 -0.048 0.000 1.080 1095 L CA 0.333 55.142 54.840 -0.052 0.000 0.768 1095 L CB -0.199 41.815 42.059 -0.075 0.000 0.924 1095 L HN -0.119 nan 8.230 nan 0.000 0.444 1096 V N -0.281 119.603 119.914 -0.049 0.000 3.078 1096 V HA -0.142 3.978 4.120 0.000 0.000 0.265 1096 V C 2.241 178.314 176.094 -0.034 0.000 1.122 1096 V CA 0.875 63.152 62.300 -0.038 0.000 1.141 1096 V CB 0.332 32.134 31.823 -0.036 0.000 0.735 1096 V HN 0.190 nan 8.190 nan 0.000 0.498 1097 V N -0.043 119.849 119.914 -0.036 0.000 2.867 1097 V HA -0.209 3.912 4.120 0.000 0.000 0.260 1097 V C 1.958 178.040 176.094 -0.019 0.000 1.099 1097 V CA 1.945 64.228 62.300 -0.028 0.000 1.122 1097 V CB -0.453 31.363 31.823 -0.013 0.000 0.708 1097 V HN 0.675 nan 8.190 nan 0.000 0.490 1098 Q N -0.822 118.967 119.800 -0.018 0.000 2.179 1098 Q HA 0.403 4.743 4.340 0.000 0.000 0.213 1098 Q C 1.333 177.328 176.000 -0.008 0.000 0.833 1098 Q CA 0.545 56.340 55.803 -0.013 0.000 0.990 1098 Q CB 1.228 29.955 28.738 -0.017 0.000 1.132 1098 Q HN 0.540 nan 8.270 nan 0.000 0.493 1099 G N 0.445 109.241 108.800 -0.007 0.000 2.136 1099 G HA2 -0.264 3.696 3.960 0.000 0.000 0.242 1099 G HA3 -0.264 3.696 3.960 0.000 0.000 0.242 1099 G C 0.163 175.072 174.900 0.015 0.000 0.989 1099 G CA -0.003 45.102 45.100 0.008 0.000 0.682 1099 G HN 0.515 nan 8.290 nan 0.000 0.522 1100 A N -0.218 122.595 122.820 -0.012 0.000 2.340 1100 A HA 0.672 4.992 4.320 0.000 0.000 0.268 1100 A C 0.447 178.022 177.584 -0.015 0.000 1.100 1100 A CA 0.208 52.227 52.037 -0.031 0.000 0.803 1100 A CB 0.644 19.599 19.000 -0.074 0.000 1.043 1100 A HN 0.561 nan 8.150 nan 0.000 0.488 1101 E N 3.375 123.575 120.200 -0.001 0.000 2.081 1101 E HA 0.272 4.623 4.350 0.000 0.000 0.276 1101 E C -2.434 174.149 176.600 -0.027 0.000 0.950 1101 E CA -2.331 54.084 56.400 0.026 0.000 0.776 1101 E CB 0.866 30.643 29.700 0.128 0.000 1.094 1101 E HN 0.415 nan 8.360 nan 0.000 0.402 1102 P HA -0.109 nan 4.420 nan 0.000 0.258 1102 P C 0.111 177.386 177.300 -0.042 0.000 1.187 1102 P CA 0.120 63.180 63.100 -0.068 0.000 0.767 1102 P CB 0.845 32.520 31.700 -0.042 0.000 0.770 1103 L N 5.842 127.004 121.223 -0.100 0.000 2.185 1103 L HA 0.284 4.624 4.340 0.000 0.000 0.198 1103 L C 0.583 177.530 176.870 0.127 0.000 1.079 1103 L CA 1.516 56.356 54.840 0.001 0.000 0.780 1103 L CB -0.399 41.653 42.059 -0.013 0.000 0.955 1103 L HN 0.376 nan 8.230 nan 0.000 0.462 1104 F N -2.857 117.096 119.950 0.005 0.000 2.613 1104 F HA 0.578 5.105 4.527 0.000 0.000 0.310 1104 F C -0.988 174.863 175.800 0.084 0.000 1.085 1104 F CA -1.788 56.243 58.000 0.051 0.000 0.945 1104 F CB 0.725 39.751 39.000 0.044 0.000 1.298 1104 F HN -0.147 nan 8.300 nan 0.000 0.455 1105 F N 2.079 122.162 119.950 0.223 0.000 2.579 1105 F HA 0.874 5.401 4.527 0.000 0.000 0.324 1105 F C -1.638 174.323 175.800 0.268 0.000 1.058 1105 F CA -1.149 56.938 58.000 0.146 0.000 0.944 1105 F CB 1.962 41.009 39.000 0.078 0.000 1.245 1105 F HN 0.574 nan 8.300 nan 0.000 0.477 1106 L N 3.172 124.341 121.223 -0.090 0.000 2.465 1106 L HA 0.416 4.756 4.340 0.000 0.000 0.257 1106 L C -1.587 175.278 176.870 -0.008 0.000 0.988 1106 L CA -0.580 54.329 54.840 0.115 0.000 0.827 1106 L CB 2.408 44.625 42.059 0.264 0.000 1.397 1106 L HN 0.664 nan 8.230 nan 0.000 0.410 1107 D N 0.415 120.910 120.400 0.159 0.000 2.857 1107 D HA 0.208 4.848 4.640 0.000 0.000 0.227 1107 D C -1.615 174.825 176.300 0.232 0.000 1.192 1107 D CA -0.393 53.728 54.000 0.202 0.000 0.857 1107 D CB 2.170 43.152 40.800 0.303 0.000 1.645 1107 D HN 0.384 nan 8.370 nan 0.000 0.482 1108 Y N 2.501 122.864 120.300 0.106 0.000 2.478 1108 Y HA 0.318 4.868 4.550 0.000 0.000 0.329 1108 Y C -1.543 174.439 175.900 0.137 0.000 0.967 1108 Y CA -1.048 57.109 58.100 0.095 0.000 1.255 1108 Y CB 0.681 39.164 38.460 0.038 0.000 1.103 1108 Y HN 0.419 nan 8.280 nan 0.000 0.497 1109 Y N 4.966 125.125 120.300 -0.236 0.000 2.336 1109 Y HA 0.648 5.198 4.550 0.000 0.000 0.335 1109 Y C -0.617 175.055 175.900 -0.379 0.000 1.046 1109 Y CA -0.574 57.408 58.100 -0.197 0.000 1.198 1109 Y CB 0.637 38.991 38.460 -0.176 0.000 1.182 1109 Y HN 0.690 nan 8.280 nan 0.000 0.502 1110 A N 5.020 127.565 122.820 -0.458 0.000 2.330 1110 A HA 0.723 5.043 4.320 0.000 0.000 0.313 1110 A C -0.608 176.455 177.584 -0.869 0.000 1.124 1110 A CA -0.379 51.367 52.037 -0.484 0.000 0.774 1110 A CB 1.563 20.473 19.000 -0.150 0.000 1.198 1110 A HN 0.693 nan 8.150 nan 0.000 0.465 1111 T N 0.366 114.471 114.554 -0.749 0.000 2.792 1111 T HA 0.576 4.926 4.350 0.000 0.000 0.303 1111 T C 1.020 175.506 174.700 -0.356 0.000 1.310 1111 T CA 0.413 62.099 62.100 -0.690 0.000 1.007 1111 T CB 1.379 70.112 68.868 -0.225 0.000 1.335 1111 T HN 1.020 nan 8.240 nan 0.000 0.504 1112 G N 0.829 109.565 108.800 -0.107 0.000 2.486 1112 G HA2 0.242 4.203 3.960 0.000 0.000 0.210 1112 G HA3 0.242 4.203 3.960 0.000 0.000 0.210 1112 G C -0.110 174.814 174.900 0.041 0.000 1.168 1112 G CA 0.206 45.354 45.100 0.080 0.000 0.820 1112 G HN 0.549 nan 8.290 nan 0.000 0.544 1113 K N 1.237 121.652 120.400 0.025 0.000 2.572 1113 K HA 0.341 4.662 4.320 0.000 0.000 0.244 1113 K C -0.954 175.650 176.600 0.008 0.000 0.965 1113 K CA -0.630 55.668 56.287 0.020 0.000 0.943 1113 K CB 1.992 34.509 32.500 0.028 0.000 1.154 1113 K HN -0.002 nan 8.250 nan 0.000 0.447 1114 L N 3.875 125.097 121.223 -0.001 0.000 2.638 1114 L HA 0.041 4.381 4.340 0.000 0.000 0.273 1114 L C -0.363 176.485 176.870 -0.036 0.000 1.147 1114 L CA 1.075 55.908 54.840 -0.012 0.000 0.941 1114 L CB -0.020 42.018 42.059 -0.034 0.000 1.251 1114 L HN 0.724 nan 8.230 nan 0.000 0.479 1115 D N 4.420 124.792 120.400 -0.046 0.000 2.317 1115 D HA 0.075 4.715 4.640 0.000 0.000 0.234 1115 D C 1.081 177.309 176.300 -0.120 0.000 1.112 1115 D CA -0.395 53.565 54.000 -0.068 0.000 0.840 1115 D CB 1.765 42.526 40.800 -0.064 0.000 1.078 1115 D HN 0.418 nan 8.370 nan 0.000 0.486 1116 V N 4.203 124.052 119.914 -0.108 0.000 2.295 1116 V HA -0.243 3.878 4.120 0.000 0.000 0.246 1116 V C 1.772 177.783 176.094 -0.139 0.000 1.049 1116 V CA 1.587 63.809 62.300 -0.131 0.000 1.024 1116 V CB -0.362 31.404 31.823 -0.095 0.000 0.648 1116 V HN 0.554 nan 8.190 nan 0.000 0.447 1117 D N -0.027 120.312 120.400 -0.102 0.000 2.116 1117 D HA -0.156 4.484 4.640 0.000 0.000 0.193 1117 D C 2.310 178.538 176.300 -0.120 0.000 0.998 1117 D CA 1.997 55.946 54.000 -0.086 0.000 0.836 1117 D CB -0.474 40.298 40.800 -0.047 0.000 0.951 1117 D HN 0.413 nan 8.370 nan 0.000 0.449 1118 T N 0.221 114.672 114.554 -0.173 0.000 2.643 1118 T HA -0.129 4.221 4.350 0.000 0.000 0.264 1118 T C 1.976 176.471 174.700 -0.343 0.000 1.045 1118 T CA 1.739 63.656 62.100 -0.304 0.000 1.155 1118 T CB -0.473 68.145 68.868 -0.417 0.000 0.863 1118 T HN 0.208 nan 8.240 nan 0.000 0.420 1119 A N 1.093 123.679 122.820 -0.390 0.000 2.070 1119 A HA -0.055 4.265 4.320 0.000 0.000 0.220 1119 A C 2.522 179.865 177.584 -0.403 0.000 1.159 1119 A CA 1.693 53.370 52.037 -0.600 0.000 0.656 1119 A CB -0.619 17.868 19.000 -0.854 0.000 0.800 1119 A HN 0.437 nan 8.150 nan 0.000 0.453 1120 S N -0.510 115.037 115.700 -0.256 0.000 2.414 1120 S HA 0.144 4.614 4.470 0.000 0.000 0.227 1120 S C 2.195 176.725 174.600 -0.118 0.000 1.022 1120 S CA 0.780 58.878 58.200 -0.170 0.000 0.958 1120 S CB -0.181 62.944 63.200 -0.125 0.000 0.797 1120 S HN 0.762 nan 8.310 nan 0.000 0.493 1121 A N 1.061 123.821 122.820 -0.101 0.000 1.929 1121 A HA 0.056 4.376 4.320 0.000 0.000 0.216 1121 A C 2.230 179.801 177.584 -0.022 0.000 1.176 1121 A CA 0.982 52.998 52.037 -0.036 0.000 0.628 1121 A CB -0.628 18.383 19.000 0.019 0.000 0.816 1121 A HN 0.329 nan 8.150 nan 0.000 0.444 1122 V N -0.200 119.681 119.914 -0.055 0.000 2.379 1122 V HA -0.200 3.920 4.120 0.000 0.000 0.245 1122 V C 2.308 178.395 176.094 -0.011 0.000 1.044 1122 V CA 1.821 64.119 62.300 -0.003 0.000 1.036 1122 V CB -0.628 31.194 31.823 -0.002 0.000 0.664 1122 V HN 0.484 nan 8.190 nan 0.000 0.453 1123 I N -0.140 120.386 120.570 -0.073 0.000 2.394 1123 I HA -0.155 4.015 4.170 0.000 0.000 0.251 1123 I C 2.614 178.708 176.117 -0.038 0.000 1.136 1123 I CA 1.417 62.686 61.300 -0.051 0.000 1.425 1123 I CB -0.560 37.381 38.000 -0.098 0.000 1.079 1123 I HN 0.188 nan 8.210 nan 0.000 0.425 1124 S N -0.028 115.644 115.700 -0.046 0.000 2.383 1124 S HA -0.074 4.396 4.470 0.000 0.000 0.227 1124 S C 2.190 176.769 174.600 -0.034 0.000 1.026 1124 S CA 1.284 59.461 58.200 -0.038 0.000 0.981 1124 S CB -0.533 62.645 63.200 -0.037 0.000 0.818 1124 S HN 0.548 nan 8.310 nan 0.000 0.472 1125 G N 0.914 109.700 108.800 -0.024 0.000 2.421 1125 G HA2 -0.018 3.942 3.960 0.000 0.000 0.217 1125 G HA3 -0.018 3.942 3.960 0.000 0.000 0.217 1125 G C 1.310 176.177 174.900 -0.055 0.000 1.143 1125 G CA 0.431 45.515 45.100 -0.027 0.000 0.784 1125 G HN 0.551 nan 8.290 nan 0.000 0.541 1126 I N 1.115 121.656 120.570 -0.048 0.000 2.439 1126 I HA -0.053 4.117 4.170 0.000 0.000 0.251 1126 I C 3.150 179.186 176.117 -0.135 0.000 1.139 1126 I CA 0.709 61.948 61.300 -0.102 0.000 1.438 1126 I CB -0.027 37.970 38.000 -0.006 0.000 1.085 1126 I HN 0.223 nan 8.210 nan 0.000 0.427 1127 A N 0.275 123.051 122.820 -0.073 0.000 1.930 1127 A HA -0.166 4.154 4.320 0.000 0.000 0.217 1127 A C 2.284 179.820 177.584 -0.079 0.000 1.175 1127 A CA 1.262 53.262 52.037 -0.062 0.000 0.627 1127 A CB -0.339 18.639 19.000 -0.037 0.000 0.815 1127 A HN 0.261 nan 8.150 nan 0.000 0.443 1128 E N -0.212 119.941 120.200 -0.079 0.000 2.077 1128 E HA -0.139 4.211 4.350 0.000 0.000 0.193 1128 E C 2.189 178.724 176.600 -0.108 0.000 0.989 1128 E CA 1.249 57.602 56.400 -0.079 0.000 0.800 1128 E CB -0.643 29.016 29.700 -0.068 0.000 0.746 1128 E HN 0.544 nan 8.360 nan 0.000 0.452 1129 G N 0.130 108.841 108.800 -0.148 0.000 2.408 1129 G HA2 -0.238 3.723 3.960 0.000 0.000 0.217 1129 G HA3 -0.238 3.723 3.960 0.000 0.000 0.217 1129 G C 1.898 176.669 174.900 -0.215 0.000 1.150 1129 G CA 0.957 45.940 45.100 -0.196 0.000 0.776 1129 G HN 0.312 nan 8.290 nan 0.000 0.542 1130 C N 0.125 119.293 119.300 -0.219 0.000 2.457 1130 C HA 0.196 4.656 4.460 0.000 0.000 0.278 1130 C C 2.832 177.769 174.990 -0.088 0.000 1.309 1130 C CA 0.117 59.035 59.018 -0.167 0.000 1.735 1130 C CB -0.945 26.720 27.740 -0.126 0.000 1.992 1130 C HN 0.411 nan 8.230 nan 0.000 0.493 1131 L N 0.460 121.637 121.223 -0.077 0.000 2.141 1131 L HA -0.201 4.139 4.340 0.000 0.000 0.209 1131 L C 2.753 179.591 176.870 -0.054 0.000 1.094 1131 L CA 1.459 56.268 54.840 -0.051 0.000 0.763 1131 L CB -0.617 41.414 42.059 -0.046 0.000 0.908 1131 L HN 0.485 nan 8.230 nan 0.000 0.437 1132 Q N -0.944 118.811 119.800 -0.074 0.000 2.187 1132 Q HA -0.084 4.256 4.340 0.000 0.000 0.199 1132 Q C 2.260 178.218 176.000 -0.070 0.000 0.957 1132 Q CA 1.417 57.176 55.803 -0.074 0.000 0.857 1132 Q CB 0.063 28.744 28.738 -0.096 0.000 0.929 1132 Q HN 0.425 nan 8.270 nan 0.000 0.453 1133 S N -0.740 114.912 115.700 -0.080 0.000 2.496 1133 S HA 0.079 4.549 4.470 0.000 0.000 0.224 1133 S C 1.411 175.990 174.600 -0.035 0.000 0.996 1133 S CA 0.708 58.868 58.200 -0.066 0.000 0.927 1133 S CB 0.430 63.578 63.200 -0.087 0.000 0.774 1133 S HN 0.654 nan 8.310 nan 0.000 0.524 1134 G N 0.918 109.702 108.800 -0.027 0.000 2.195 1134 G HA2 -0.315 3.645 3.960 0.000 0.000 0.246 1134 G HA3 -0.315 3.645 3.960 0.000 0.000 0.246 1134 G C 0.435 175.345 174.900 0.016 0.000 0.984 1134 G CA 0.137 45.235 45.100 -0.004 0.000 0.633 1134 G HN 0.851 nan 8.290 nan 0.000 0.525 1135 C N 0.715 120.023 119.300 0.014 0.000 2.345 1135 C HA 0.964 5.424 4.460 0.000 0.000 0.369 1135 C C 0.871 175.904 174.990 0.073 0.000 1.273 1135 C CA 0.035 59.086 59.018 0.055 0.000 2.310 1135 C CB 1.343 29.118 27.740 0.058 0.000 2.219 1135 C HN 1.515 nan 8.230 nan 0.000 0.587 1136 S N 0.295 116.079 115.700 0.139 0.000 2.568 1136 S HA 0.608 5.078 4.470 0.000 0.000 0.293 1136 S C -0.981 173.741 174.600 0.203 0.000 1.089 1136 S CA -0.676 57.603 58.200 0.132 0.000 0.945 1136 S CB 1.103 64.367 63.200 0.107 0.000 1.077 1136 S HN 0.928 nan 8.310 nan 0.000 0.485 1137 L N 3.436 124.754 121.223 0.159 0.000 2.334 1137 L HA 0.256 4.596 4.340 0.000 0.000 0.286 1137 L C 0.864 177.822 176.870 0.146 0.000 1.108 1137 L CA -0.443 54.519 54.840 0.203 0.000 0.875 1137 L CB 0.788 42.934 42.059 0.145 0.000 1.246 1137 L HN 0.866 nan 8.230 nan 0.000 0.439 1138 V N 0.756 120.766 119.914 0.160 0.000 3.650 1138 V HA 0.534 4.654 4.120 0.000 0.000 0.271 1138 V C 0.738 176.865 176.094 0.055 0.000 1.281 1138 V CA 0.582 62.920 62.300 0.063 0.000 1.120 1138 V CB -0.202 31.597 31.823 -0.040 0.000 0.856 1138 V HN 0.742 nan 8.190 nan 0.000 0.443 1139 G N -1.951 106.916 108.800 0.111 0.000 2.430 1139 G HA2 0.680 4.641 3.960 0.000 0.000 0.300 1139 G HA3 0.680 4.641 3.960 0.000 0.000 0.300 1139 G C -0.611 174.371 174.900 0.136 0.000 1.330 1139 G CA 0.173 45.335 45.100 0.103 0.000 0.813 1139 G HN 1.106 nan 8.290 nan 0.000 0.487 1140 G N -1.431 107.446 108.800 0.128 0.000 2.341 1140 G HA2 0.653 4.613 3.960 0.000 0.000 0.299 1140 G HA3 0.653 4.613 3.960 0.000 0.000 0.299 1140 G C -1.803 173.170 174.900 0.123 0.000 1.274 1140 G CA 0.401 45.581 45.100 0.133 0.000 0.853 1140 G HN 0.977 nan 8.290 nan 0.000 0.493 1141 E N -1.241 119.004 120.200 0.074 0.000 2.422 1141 E HA 0.526 4.876 4.350 0.000 0.000 0.289 1141 E C -1.676 174.843 176.600 -0.134 0.000 0.985 1141 E CA -0.552 55.853 56.400 0.008 0.000 0.812 1141 E CB 1.874 31.615 29.700 0.067 0.000 1.226 1141 E HN 0.423 nan 8.360 nan 0.000 0.419 1142 T N 2.056 116.539 114.554 -0.118 0.000 2.788 1142 T HA 0.617 4.967 4.350 0.000 0.000 0.296 1142 T C -0.771 173.846 174.700 -0.139 0.000 1.009 1142 T CA -0.385 61.643 62.100 -0.120 0.000 0.949 1142 T CB 1.121 69.920 68.868 -0.116 0.000 0.946 1142 T HN 0.458 nan 8.240 nan 0.000 0.453 1143 A N 3.597 126.280 122.820 -0.229 0.000 2.258 1143 A HA 0.548 4.868 4.320 0.000 0.000 0.316 1143 A C 0.055 177.585 177.584 -0.090 0.000 1.279 1143 A CA -0.726 51.216 52.037 -0.158 0.000 0.876 1143 A CB 0.490 19.370 19.000 -0.199 0.000 1.170 1143 A HN 0.775 nan 8.150 nan 0.000 0.520 1144 E N 2.292 122.474 120.200 -0.032 0.000 2.130 1144 E HA 0.426 4.776 4.350 0.000 0.000 0.284 1144 E C -1.012 175.614 176.600 0.043 0.000 1.018 1144 E CA 0.064 56.458 56.400 -0.009 0.000 0.817 1144 E CB 1.001 30.701 29.700 0.001 0.000 1.078 1144 E HN 0.668 nan 8.360 nan 0.000 0.396 1145 M N 4.863 124.517 119.600 0.090 0.000 1.949 1145 M HA 0.211 4.691 4.480 0.000 0.000 0.234 1145 M C -2.215 174.212 176.300 0.211 0.000 0.855 1145 M CA -1.588 53.812 55.300 0.168 0.000 0.800 1145 M CB 1.763 34.513 32.600 0.250 0.000 1.697 1145 M HN 0.156 nan 8.290 nan 0.000 0.357 1146 P HA -0.134 nan 4.420 nan 0.000 0.217 1146 P C 1.421 178.791 177.300 0.118 0.000 1.148 1146 P CA 1.357 64.528 63.100 0.119 0.000 0.828 1146 P CB 0.261 32.007 31.700 0.076 0.000 0.783 1147 G N -1.141 107.718 108.800 0.098 0.000 2.394 1147 G HA2 -0.204 3.756 3.960 0.000 0.000 0.215 1147 G HA3 -0.204 3.756 3.960 0.000 0.000 0.215 1147 G C 1.462 176.390 174.900 0.046 0.000 1.165 1147 G CA 0.493 45.633 45.100 0.065 0.000 0.784 1147 G HN 0.237 nan 8.290 nan 0.000 0.535 1148 M N -0.744 118.882 119.600 0.043 0.000 2.476 1148 M HA 0.312 4.792 4.480 0.000 0.000 0.262 1148 M C -0.423 175.727 176.300 -0.250 0.000 1.111 1148 M CA 0.330 55.561 55.300 -0.116 0.000 1.127 1148 M CB 0.484 32.966 32.600 -0.196 0.000 1.376 1148 M HN 0.138 nan 8.290 nan 0.000 0.465 1149 Y N 0.312 120.653 120.300 0.068 0.000 2.328 1149 Y HA 0.269 4.819 4.550 0.000 0.000 0.337 1149 Y C -0.261 175.690 175.900 0.085 0.000 0.966 1149 Y CA -1.146 56.992 58.100 0.063 0.000 1.136 1149 Y CB 0.412 38.878 38.460 0.011 0.000 1.170 1149 Y HN 0.187 nan 8.280 nan 0.000 0.470 1150 H N 0.962 120.108 119.070 0.127 0.000 2.473 1150 H HA 0.735 5.291 4.556 0.000 0.000 0.327 1150 H C 0.763 176.147 175.328 0.095 0.000 1.105 1150 H CA -0.454 55.646 56.048 0.086 0.000 1.280 1150 H CB 1.268 31.056 29.762 0.044 0.000 1.450 1150 H HN 0.866 nan 8.280 nan 0.000 0.492 1151 G N 2.689 111.526 108.800 0.061 0.000 2.552 1151 G HA2 -0.358 3.602 3.960 0.000 0.000 0.265 1151 G HA3 -0.358 3.602 3.960 0.000 0.000 0.265 1151 G C 0.440 175.337 174.900 -0.006 0.000 1.234 1151 G CA 0.414 45.520 45.100 0.010 0.000 0.944 1151 G HN 0.769 nan 8.290 nan 0.000 0.568 1152 E N 1.241 121.437 120.200 -0.006 0.000 2.476 1152 E HA 0.174 4.524 4.350 0.000 0.000 0.191 1152 E C 0.003 176.632 176.600 0.047 0.000 1.064 1152 E CA 0.078 56.498 56.400 0.033 0.000 0.866 1152 E CB 0.032 29.768 29.700 0.061 0.000 0.952 1152 E HN 0.413 nan 8.360 nan 0.000 0.492 1153 D N 0.977 121.345 120.400 -0.053 0.000 2.472 1153 D HA -0.028 4.612 4.640 0.000 0.000 0.237 1153 D C -0.414 175.870 176.300 -0.027 0.000 1.141 1153 D CA 0.825 54.774 54.000 -0.084 0.000 0.875 1153 D CB 0.297 41.008 40.800 -0.149 0.000 1.192 1153 D HN 0.099 nan 8.370 nan 0.000 0.450 1154 Y N -1.224 118.974 120.300 -0.170 0.000 2.571 1154 Y HA 0.593 5.143 4.550 0.000 0.000 0.341 1154 Y C -1.529 174.201 175.900 -0.283 0.000 1.076 1154 Y CA -1.373 56.469 58.100 -0.430 0.000 1.029 1154 Y CB 1.632 39.705 38.460 -0.645 0.000 1.308 1154 Y HN 0.047 nan 8.280 nan 0.000 0.461 1155 D N 1.408 121.693 120.400 -0.193 0.000 2.787 1155 D HA 0.609 5.249 4.640 0.000 0.000 0.246 1155 D C -1.659 174.629 176.300 -0.021 0.000 1.150 1155 D CA -0.354 53.620 54.000 -0.042 0.000 0.864 1155 D CB 2.522 43.393 40.800 0.118 0.000 1.481 1155 D HN 0.603 nan 8.370 nan 0.000 0.509 1156 V N 1.674 121.642 119.914 0.091 0.000 2.459 1156 V HA 0.878 4.998 4.120 0.000 0.000 0.295 1156 V C 0.156 176.363 176.094 0.188 0.000 1.029 1156 V CA -1.035 61.362 62.300 0.162 0.000 0.874 1156 V CB 1.305 33.281 31.823 0.255 0.000 0.985 1156 V HN 0.720 nan 8.190 nan 0.000 0.438 1157 A N 3.072 126.025 122.820 0.221 0.000 2.318 1157 A HA 0.881 5.201 4.320 0.000 0.000 0.324 1157 A C 0.263 177.951 177.584 0.174 0.000 1.170 1157 A CA -0.157 51.990 52.037 0.183 0.000 0.810 1157 A CB 1.259 20.354 19.000 0.158 0.000 1.198 1157 A HN 1.149 nan 8.150 nan 0.000 0.484 1158 G N 0.283 109.173 108.800 0.150 0.000 2.388 1158 G HA2 0.595 4.555 3.960 0.000 0.000 0.330 1158 G HA3 0.595 4.555 3.960 0.000 0.000 0.330 1158 G C -1.311 173.529 174.900 -0.101 0.000 1.142 1158 G CA -0.330 44.791 45.100 0.035 0.000 0.908 1158 G HN 0.669 nan 8.290 nan 0.000 0.473 1159 F N 1.467 120.995 119.950 -0.704 0.000 2.556 1159 F HA 0.661 5.188 4.527 0.000 0.000 0.314 1159 F C -0.794 174.614 175.800 -0.654 0.000 1.106 1159 F CA -1.671 56.042 58.000 -0.477 0.000 0.911 1159 F CB 1.869 40.701 39.000 -0.280 0.000 1.190 1159 F HN 0.623 nan 8.300 nan 0.000 0.448 1160 C N 6.476 125.217 119.300 -0.931 0.000 2.782 1160 C HA 0.859 5.319 4.460 0.000 0.000 0.328 1160 C C -1.603 172.831 174.990 -0.926 0.000 1.145 1160 C CA -0.462 58.126 59.018 -0.716 0.000 1.358 1160 C CB 0.868 28.527 27.740 -0.135 0.000 1.841 1160 C HN 0.677 nan 8.230 nan 0.000 0.477 1161 V N 5.149 124.454 119.914 -1.015 0.000 2.459 1161 V HA 0.862 4.982 4.120 0.000 0.000 0.295 1161 V C 0.757 176.489 176.094 -0.604 0.000 1.029 1161 V CA 0.224 61.966 62.300 -0.931 0.000 0.874 1161 V CB 1.526 32.522 31.823 -1.378 0.000 0.985 1161 V HN 1.145 nan 8.190 nan 0.000 0.438 1162 G N 2.906 111.479 108.800 -0.380 0.000 2.569 1162 G HA2 0.732 4.692 3.960 0.000 0.000 0.300 1162 G HA3 0.732 4.692 3.960 0.000 0.000 0.300 1162 G C -1.446 173.312 174.900 -0.237 0.000 1.269 1162 G CA -0.629 44.322 45.100 -0.249 0.000 0.959 1162 G HN 0.563 nan 8.290 nan 0.000 0.478 1163 V N -0.151 119.618 119.914 -0.241 0.000 2.680 1163 V HA 0.776 4.896 4.120 0.000 0.000 0.309 1163 V C -0.499 175.338 176.094 -0.428 0.000 1.052 1163 V CA -0.862 61.190 62.300 -0.414 0.000 0.908 1163 V CB 1.464 32.903 31.823 -0.640 0.000 1.001 1163 V HN 0.696 nan 8.190 nan 0.000 0.431 1164 V N 2.276 121.947 119.914 -0.405 0.000 2.971 1164 V HA 0.634 4.754 4.120 0.000 0.000 0.309 1164 V C -0.888 175.174 176.094 -0.053 0.000 1.130 1164 V CA -0.596 61.625 62.300 -0.131 0.000 0.964 1164 V CB 2.363 34.158 31.823 -0.047 0.000 1.029 1164 V HN 1.030 nan 8.190 nan 0.000 0.427 1165 E N 3.602 123.925 120.200 0.206 0.000 2.290 1165 E HA 0.225 4.575 4.350 0.000 0.000 0.277 1165 E C 1.018 177.668 176.600 0.083 0.000 1.035 1165 E CA 0.509 57.037 56.400 0.212 0.000 0.873 1165 E CB 1.344 31.176 29.700 0.220 0.000 1.029 1165 E HN 0.634 nan 8.360 nan 0.000 0.419 1166 K N 2.337 122.769 120.400 0.054 0.000 2.089 1166 K HA -0.226 4.094 4.320 0.000 0.000 0.210 1166 K C 1.398 178.013 176.600 0.026 0.000 1.048 1166 K CA 1.944 58.246 56.287 0.026 0.000 0.926 1166 K CB -0.109 32.403 32.500 0.020 0.000 0.714 1166 K HN 0.588 nan 8.250 nan 0.000 0.448 1167 S N -0.345 115.375 115.700 0.034 0.000 2.527 1167 S HA 0.023 4.494 4.470 0.000 0.000 0.222 1167 S C 1.037 175.653 174.600 0.027 0.000 0.985 1167 S CA 0.339 58.554 58.200 0.026 0.000 0.921 1167 S CB 0.169 63.384 63.200 0.024 0.000 0.772 1167 S HN 0.262 nan 8.310 nan 0.000 0.529 1168 E N 1.030 121.253 120.200 0.038 0.000 2.476 1168 E HA 0.344 4.694 4.350 0.000 0.000 0.199 1168 E C 0.417 177.035 176.600 0.030 0.000 1.021 1168 E CA -0.320 56.102 56.400 0.037 0.000 0.907 1168 E CB -0.136 29.595 29.700 0.053 0.000 0.974 1168 E HN 0.586 nan 8.360 nan 0.000 0.489 1169 I N 2.259 122.843 120.570 0.023 0.000 2.906 1169 I HA -0.149 4.022 4.170 0.000 0.000 0.302 1169 I C 0.607 176.729 176.117 0.009 0.000 1.220 1169 I CA 0.596 61.902 61.300 0.011 0.000 1.441 1169 I CB 0.230 38.231 38.000 0.002 0.000 1.336 1169 I HN -0.142 nan 8.210 nan 0.000 0.565 1170 I N 6.842 127.417 120.570 0.007 0.000 2.291 1170 I HA 0.042 4.212 4.170 0.000 0.000 0.292 1170 I C 0.456 176.573 176.117 0.001 0.000 1.064 1170 I CA -0.161 61.144 61.300 0.008 0.000 1.269 1170 I CB 0.655 38.661 38.000 0.009 0.000 1.418 1170 I HN 0.634 nan 8.210 nan 0.000 0.485 1171 D N 3.520 123.918 120.400 -0.003 0.000 2.389 1171 D HA 0.108 4.748 4.640 0.000 0.000 0.206 1171 D C 1.424 177.718 176.300 -0.010 0.000 1.055 1171 D CA 0.486 54.481 54.000 -0.008 0.000 0.856 1171 D CB 0.517 41.310 40.800 -0.010 0.000 0.957 1171 D HN 0.659 nan 8.370 nan 0.000 0.509 1172 G N 0.439 109.233 108.800 -0.011 0.000 2.176 1172 G HA2 -0.355 3.605 3.960 0.000 0.000 0.253 1172 G HA3 -0.355 3.605 3.960 0.000 0.000 0.253 1172 G C 1.205 176.082 174.900 -0.039 0.000 0.979 1172 G CA 0.840 45.932 45.100 -0.014 0.000 0.641 1172 G HN 0.652 nan 8.290 nan 0.000 0.530 1173 S N -0.397 115.273 115.700 -0.050 0.000 2.481 1173 S HA 0.084 4.554 4.470 0.000 0.000 0.231 1173 S C 1.820 176.351 174.600 -0.116 0.000 0.996 1173 S CA 1.486 59.648 58.200 -0.064 0.000 0.942 1173 S CB -0.086 63.084 63.200 -0.049 0.000 0.768 1173 S HN 0.565 nan 8.310 nan 0.000 0.520 1174 K N 0.934 121.220 120.400 -0.189 0.000 2.365 1174 K HA 0.200 4.520 4.320 0.000 0.000 0.197 1174 K C -0.044 176.251 176.600 -0.508 0.000 1.042 1174 K CA 0.053 56.097 56.287 -0.406 0.000 0.987 1174 K CB -0.022 32.116 32.500 -0.603 0.000 0.779 1174 K HN 0.248 nan 8.250 nan 0.000 0.484 1175 V N 2.490 122.269 119.914 -0.225 0.000 2.673 1175 V HA -0.039 4.081 4.120 0.000 0.000 0.303 1175 V C 0.378 176.447 176.094 -0.041 0.000 1.046 1175 V CA 0.192 62.463 62.300 -0.049 0.000 1.126 1175 V CB 0.775 32.607 31.823 0.015 0.000 0.934 1175 V HN 0.339 nan 8.190 nan 0.000 0.487 1176 S N 1.796 117.509 115.700 0.021 0.000 2.672 1176 S HA 0.379 4.850 4.470 0.000 0.000 0.271 1176 S C -1.030 173.590 174.600 0.034 0.000 1.171 1176 S CA -1.085 57.123 58.200 0.012 0.000 0.817 1176 S CB 1.309 64.504 63.200 -0.009 0.000 1.150 1176 S HN 0.691 nan 8.310 nan 0.000 0.478 1177 D N -0.022 120.392 120.400 0.023 0.000 2.434 1177 D HA 0.453 5.093 4.640 0.000 0.000 0.252 1177 D C 1.348 177.667 176.300 0.031 0.000 1.185 1177 D CA 2.092 56.107 54.000 0.025 0.000 0.886 1177 D CB -0.261 40.551 40.800 0.019 0.000 1.148 1177 D HN 1.219 nan 8.370 nan 0.000 0.483 1178 G N 3.577 112.396 108.800 0.030 0.000 2.428 1178 G HA2 -0.209 3.751 3.960 0.000 0.000 0.199 1178 G HA3 -0.209 3.751 3.960 0.000 0.000 0.199 1178 G C 0.003 174.920 174.900 0.027 0.000 1.005 1178 G CA -0.152 44.965 45.100 0.029 0.000 0.671 1178 G HN 0.608 nan 8.290 nan 0.000 0.485 1179 D N 1.066 121.490 120.400 0.040 0.000 2.472 1179 D HA 0.403 5.043 4.640 0.000 0.000 0.237 1179 D C 0.662 176.960 176.300 -0.003 0.000 1.141 1179 D CA 0.388 54.404 54.000 0.026 0.000 0.875 1179 D CB 1.713 42.551 40.800 0.064 0.000 1.192 1179 D HN 0.219 nan 8.370 nan 0.000 0.450 1180 V N 3.228 123.124 119.914 -0.031 0.000 2.539 1180 V HA 0.296 4.416 4.120 0.000 0.000 0.292 1180 V C 0.437 176.488 176.094 -0.071 0.000 1.045 1180 V CA -0.769 61.507 62.300 -0.040 0.000 0.945 1180 V CB 1.427 33.225 31.823 -0.041 0.000 0.993 1180 V HN 0.291 nan 8.190 nan 0.000 0.464 1181 L N 5.459 126.634 121.223 -0.080 0.000 2.282 1181 L HA 0.570 4.910 4.340 0.000 0.000 0.288 1181 L C -0.452 176.299 176.870 -0.200 0.000 1.033 1181 L CA -0.144 54.616 54.840 -0.133 0.000 0.807 1181 L CB 1.241 43.226 42.059 -0.123 0.000 1.209 1181 L HN 0.446 nan 8.230 nan 0.000 0.423 1182 I N 2.630 123.047 120.570 -0.255 0.000 2.441 1182 I HA 0.602 4.772 4.170 0.000 0.000 0.295 1182 I C 0.041 175.848 176.117 -0.516 0.000 0.994 1182 I CA -0.445 60.649 61.300 -0.342 0.000 1.144 1182 I CB 2.039 39.893 38.000 -0.242 0.000 1.314 1182 I HN 0.645 nan 8.210 nan 0.000 0.445 1183 A N 6.671 128.983 122.820 -0.848 0.000 2.350 1183 A HA 0.803 5.123 4.320 0.000 0.000 0.324 1183 A C -1.195 175.784 177.584 -1.008 0.000 1.118 1183 A CA -0.483 50.892 52.037 -1.104 0.000 0.783 1183 A CB 1.148 19.127 19.000 -1.701 0.000 1.236 1183 A HN 0.505 nan 8.150 nan 0.000 0.457 1184 L N 2.118 122.941 121.223 -0.666 0.000 2.296 1184 L HA 0.548 4.888 4.340 0.000 0.000 0.286 1184 L C 1.089 177.880 176.870 -0.132 0.000 1.023 1184 L CA 0.163 54.792 54.840 -0.352 0.000 0.812 1184 L CB 1.265 43.035 42.059 -0.482 0.000 1.223 1184 L HN 0.877 nan 8.230 nan 0.000 0.421 1185 G N 1.669 110.631 108.800 0.269 0.000 2.554 1185 G HA2 0.389 4.349 3.960 0.000 0.000 0.238 1185 G HA3 0.389 4.349 3.960 0.000 0.000 0.238 1185 G C 0.033 175.144 174.900 0.353 0.000 1.259 1185 G CA -0.063 45.288 45.100 0.418 0.000 0.843 1185 G HN 0.689 nan 8.290 nan 0.000 0.582 1186 S N -1.004 114.864 115.700 0.280 0.000 2.690 1186 S HA 0.474 4.944 4.470 0.000 0.000 0.291 1186 S C 1.325 176.073 174.600 0.247 0.000 1.138 1186 S CA 0.217 58.555 58.200 0.229 0.000 1.013 1186 S CB 1.779 64.831 63.200 -0.247 0.000 1.053 1186 S HN 1.102 nan 8.310 nan 0.000 0.539 1187 S N -0.027 115.875 115.700 0.336 0.000 2.562 1187 S HA 0.510 4.980 4.470 0.000 0.000 0.221 1187 S C 1.065 175.773 174.600 0.180 0.000 0.975 1187 S CA 0.192 58.538 58.200 0.243 0.000 0.918 1187 S CB -0.922 62.422 63.200 0.240 0.000 0.772 1187 S HN 1.781 nan 8.310 nan 0.000 0.531 1188 G N 1.231 110.128 108.800 0.162 0.000 2.334 1188 G HA2 0.183 4.143 3.960 0.000 0.000 0.249 1188 G HA3 0.183 4.143 3.960 0.000 0.000 0.249 1188 G C -2.825 172.173 174.900 0.163 0.000 1.327 1188 G CA -0.245 44.902 45.100 0.079 0.000 0.979 1188 G HN -0.009 nan 8.290 nan 0.000 0.471 1189 P HA 0.025 nan 4.420 nan 0.000 0.226 1189 P C 1.044 178.632 177.300 0.480 0.000 1.146 1189 P CA 1.861 65.112 63.100 0.253 0.000 0.773 1189 P CB -0.098 31.543 31.700 -0.099 0.000 0.772 1190 H N -2.283 116.997 119.070 0.350 0.000 1.453 1190 H HA -0.197 4.359 4.556 0.000 0.000 0.090 1190 H C 0.769 176.291 175.328 0.324 0.000 0.621 1190 H CA 1.125 57.350 56.048 0.295 0.000 1.901 1190 H CB -1.943 27.976 29.762 0.262 0.000 2.257 1190 H HN 0.127 nan 8.280 nan 0.000 0.961 1191 S N 1.530 117.503 115.700 0.456 0.000 3.025 1191 S HA 0.301 4.771 4.470 0.000 0.000 0.251 1191 S C -0.777 174.016 174.600 0.321 0.000 0.954 1191 S CA -0.212 58.148 58.200 0.266 0.000 1.092 1191 S CB -0.332 62.935 63.200 0.111 0.000 1.079 1191 S HN 0.470 nan 8.310 nan 0.000 0.543 1192 N N 0.075 119.054 118.700 0.466 0.000 2.277 1192 N HA 0.446 5.186 4.740 0.000 0.000 0.286 1192 N C 0.291 175.978 175.510 0.295 0.000 1.140 1192 N CA 0.166 53.406 53.050 0.317 0.000 0.799 1192 N CB 1.862 40.453 38.487 0.173 0.000 1.596 1192 N HN 0.306 nan 8.380 nan 0.000 0.473 1193 G N 0.679 109.563 108.800 0.140 0.000 2.143 1193 G HA2 -0.312 3.649 3.960 0.000 0.000 0.248 1193 G HA3 -0.312 3.649 3.960 0.000 0.000 0.248 1193 G C 0.220 175.163 174.900 0.072 0.000 0.991 1193 G CA 0.200 45.255 45.100 -0.074 0.000 0.689 1193 G HN 0.646 nan 8.290 nan 0.000 0.522 1194 Y N 1.333 121.729 120.300 0.160 0.000 2.578 1194 Y HA 0.091 4.642 4.550 0.000 0.000 0.297 1194 Y C 2.723 178.699 175.900 0.127 0.000 1.176 1194 Y CA 1.436 59.645 58.100 0.181 0.000 1.315 1194 Y CB 0.232 38.772 38.460 0.134 0.000 1.031 1194 Y HN 0.523 nan 8.280 nan 0.000 0.524 1195 S N -1.063 114.750 115.700 0.189 0.000 2.406 1195 S HA -0.115 4.355 4.470 0.000 0.000 0.224 1195 S C 1.804 176.471 174.600 0.112 0.000 1.030 1195 S CA 0.678 58.955 58.200 0.128 0.000 0.958 1195 S CB -0.545 62.705 63.200 0.083 0.000 0.811 1195 S HN 0.379 nan 8.310 nan 0.000 0.489 1196 L N 1.705 122.986 121.223 0.096 0.000 2.270 1196 L HA 0.289 4.629 4.340 0.000 0.000 0.210 1196 L C 2.246 179.244 176.870 0.213 0.000 1.104 1196 L CA 0.928 55.838 54.840 0.116 0.000 0.804 1196 L CB -0.429 41.647 42.059 0.029 0.000 0.937 1196 L HN 0.189 nan 8.230 nan 0.000 0.450 1197 V N -0.207 119.851 119.914 0.240 0.000 2.427 1197 V HA -0.209 3.911 4.120 0.000 0.000 0.248 1197 V C 2.670 178.858 176.094 0.156 0.000 1.051 1197 V CA 1.711 64.118 62.300 0.179 0.000 1.048 1197 V CB -0.626 31.182 31.823 -0.025 0.000 0.666 1197 V HN 0.428 nan 8.190 nan 0.000 0.456 1198 R N 0.052 120.647 120.500 0.159 0.000 2.062 1198 R HA -0.148 4.192 4.340 0.000 0.000 0.229 1198 R C 2.417 178.788 176.300 0.118 0.000 1.128 1198 R CA 1.362 57.543 56.100 0.134 0.000 0.960 1198 R CB -0.350 30.027 30.300 0.128 0.000 0.855 1198 R HN 0.265 nan 8.270 nan 0.000 0.432 1199 K N 1.420 121.889 120.400 0.114 0.000 2.074 1199 K HA -0.110 4.210 4.320 0.000 0.000 0.209 1199 K C 1.801 178.463 176.600 0.103 0.000 1.048 1199 K CA 1.434 57.779 56.287 0.096 0.000 0.926 1199 K CB -0.316 32.236 32.500 0.085 0.000 0.713 1199 K HN 0.122 nan 8.250 nan 0.000 0.444 1200 I N 0.139 120.788 120.570 0.132 0.000 2.252 1200 I HA -0.268 3.902 4.170 0.000 0.000 0.245 1200 I C 2.024 178.244 176.117 0.170 0.000 1.102 1200 I CA 1.017 62.402 61.300 0.142 0.000 1.385 1200 I CB -0.221 37.890 38.000 0.185 0.000 1.064 1200 I HN 0.109 nan 8.210 nan 0.000 0.414 1201 L N 0.392 121.729 121.223 0.189 0.000 2.083 1201 L HA -0.223 4.117 4.340 0.000 0.000 0.209 1201 L C 2.587 179.534 176.870 0.129 0.000 1.083 1201 L CA 1.408 56.358 54.840 0.184 0.000 0.752 1201 L CB -0.575 41.558 42.059 0.124 0.000 0.899 1201 L HN 0.349 nan 8.230 nan 0.000 0.433 1202 E N 0.560 120.821 120.200 0.102 0.000 2.028 1202 E HA -0.190 4.160 4.350 0.000 0.000 0.191 1202 E C 2.141 178.782 176.600 0.068 0.000 0.988 1202 E CA 1.872 58.319 56.400 0.077 0.000 0.799 1202 E CB 0.077 29.818 29.700 0.069 0.000 0.755 1202 E HN 0.356 nan 8.360 nan 0.000 0.447 1203 V N -0.117 119.837 119.914 0.066 0.000 2.809 1203 V HA -0.108 4.012 4.120 0.000 0.000 0.256 1203 V C 2.212 178.332 176.094 0.043 0.000 1.080 1203 V CA 1.639 63.967 62.300 0.048 0.000 1.102 1203 V CB -0.467 31.379 31.823 0.039 0.000 0.705 1203 V HN 0.349 nan 8.190 nan 0.000 0.475 1204 S N 0.266 116.005 115.700 0.064 0.000 2.501 1204 S HA 0.317 4.787 4.470 0.000 0.000 0.220 1204 S C 1.794 176.443 174.600 0.082 0.000 0.997 1204 S CA 0.672 58.908 58.200 0.060 0.000 0.919 1204 S CB -0.126 63.123 63.200 0.082 0.000 0.778 1204 S HN 1.828 nan 8.310 nan 0.000 0.523 1205 G N 0.853 109.705 108.800 0.087 0.000 2.221 1205 G HA2 -0.281 3.679 3.960 0.000 0.000 0.265 1205 G HA3 -0.281 3.679 3.960 0.000 0.000 0.265 1205 G C 0.120 175.077 174.900 0.094 0.000 1.041 1205 G CA 0.090 45.236 45.100 0.076 0.000 0.807 1205 G HN 0.896 nan 8.290 nan 0.000 0.502 1206 C N 0.245 119.626 119.300 0.136 0.000 2.388 1206 C HA 0.659 5.119 4.460 0.000 0.000 0.362 1206 C C 0.456 175.487 174.990 0.070 0.000 1.266 1206 C CA -0.598 58.508 59.018 0.146 0.000 2.028 1206 C CB 0.892 28.811 27.740 0.299 0.000 2.440 1206 C HN 0.555 nan 8.230 nan 0.000 0.547 1207 D N 5.509 125.930 120.400 0.035 0.000 2.412 1207 D HA 0.398 5.038 4.640 0.000 0.000 0.224 1207 D C -1.606 174.668 176.300 -0.043 0.000 1.093 1207 D CA -1.498 52.503 54.000 0.003 0.000 0.850 1207 D CB 1.466 42.271 40.800 0.008 0.000 1.046 1207 D HN 0.343 nan 8.370 nan 0.000 0.507 1208 P HA -0.250 nan 4.420 nan 0.000 0.216 1208 P C 1.277 178.511 177.300 -0.109 0.000 1.157 1208 P CA 1.377 64.396 63.100 -0.135 0.000 0.880 1208 P CB 0.067 31.708 31.700 -0.099 0.000 0.791 1209 Q N -1.561 118.201 119.800 -0.063 0.000 2.297 1209 Q HA -0.057 4.283 4.340 0.000 0.000 0.204 1209 Q C 1.485 177.461 176.000 -0.040 0.000 0.962 1209 Q CA 1.634 57.408 55.803 -0.047 0.000 0.879 1209 Q CB -1.566 27.154 28.738 -0.031 0.000 0.947 1209 Q HN 0.214 nan 8.270 nan 0.000 0.462 1210 T N 1.277 115.810 114.554 -0.036 0.000 2.852 1210 T HA 0.005 4.355 4.350 0.000 0.000 0.256 1210 T C 0.674 175.357 174.700 -0.029 0.000 1.038 1210 T CA 1.001 63.088 62.100 -0.022 0.000 1.141 1210 T CB -0.150 68.714 68.868 -0.006 0.000 0.869 1210 T HN 0.316 nan 8.240 nan 0.000 0.439 1211 T N 3.438 117.963 114.554 -0.049 0.000 2.916 1211 T HA 0.156 4.506 4.350 0.000 0.000 0.303 1211 T C -0.007 174.637 174.700 -0.092 0.000 1.025 1211 T CA 0.229 62.294 62.100 -0.059 0.000 1.142 1211 T CB 0.584 69.397 68.868 -0.092 0.000 0.947 1211 T HN 0.230 nan 8.240 nan 0.000 0.544 1212 E N 1.529 121.694 120.200 -0.059 0.000 2.207 1212 E HA 0.545 4.895 4.350 0.000 0.000 0.270 1212 E C -1.139 175.418 176.600 -0.072 0.000 0.927 1212 E CA -0.937 55.433 56.400 -0.050 0.000 0.799 1212 E CB 2.318 32.011 29.700 -0.012 0.000 1.172 1212 E HN 0.186 nan 8.360 nan 0.000 0.404 1213 L N 2.319 123.497 121.223 -0.074 0.000 2.441 1213 L HA 0.193 4.533 4.340 0.000 0.000 0.270 1213 L C -0.791 176.086 176.870 0.013 0.000 0.973 1213 L CA 0.070 54.827 54.840 -0.138 0.000 0.842 1213 L CB 1.229 42.994 42.059 -0.490 0.000 1.239 1213 L HN 0.643 nan 8.230 nan 0.000 0.406 1214 D N 4.123 124.537 120.400 0.023 0.000 2.800 1214 D HA -0.142 4.498 4.640 0.000 0.000 0.232 1214 D C 0.886 177.230 176.300 0.074 0.000 1.137 1214 D CA 1.787 55.827 54.000 0.067 0.000 0.718 1214 D CB -0.920 39.948 40.800 0.113 0.000 1.084 1214 D HN 1.381 nan 8.370 nan 0.000 0.432 1215 G N 0.032 108.862 108.800 0.051 0.000 2.256 1215 G HA2 -0.289 3.671 3.960 0.000 0.000 0.272 1215 G HA3 -0.289 3.671 3.960 0.000 0.000 0.272 1215 G C 0.103 175.026 174.900 0.039 0.000 1.076 1215 G CA 0.731 45.852 45.100 0.036 0.000 0.882 1215 G HN 0.720 nan 8.290 nan 0.000 0.497 1216 K N -0.713 119.727 120.400 0.066 0.000 2.610 1216 K HA 0.436 4.756 4.320 0.000 0.000 0.267 1216 K C -3.045 173.607 176.600 0.086 0.000 0.943 1216 K CA -1.776 54.543 56.287 0.054 0.000 0.862 1216 K CB 1.947 34.456 32.500 0.016 0.000 1.376 1216 K HN -0.049 nan 8.250 nan 0.000 0.412 1217 P HA -0.020 nan 4.420 nan 0.000 0.269 1217 P C 0.509 177.833 177.300 0.041 0.000 1.215 1217 P CA -0.336 62.764 63.100 0.000 0.000 0.780 1217 P CB 0.536 32.220 31.700 -0.026 0.000 0.898 1218 L N 2.218 123.370 121.223 -0.118 0.000 2.131 1218 L HA -0.215 4.125 4.340 0.000 0.000 0.210 1218 L C 1.889 178.673 176.870 -0.143 0.000 1.092 1218 L CA 2.046 56.728 54.840 -0.262 0.000 0.759 1218 L CB -0.805 40.913 42.059 -0.568 0.000 0.903 1218 L HN 0.402 nan 8.230 nan 0.000 0.435 1219 A N -0.464 122.295 122.820 -0.102 0.000 2.019 1219 A HA -0.228 4.092 4.320 0.000 0.000 0.219 1219 A C 1.713 179.277 177.584 -0.033 0.000 1.164 1219 A CA 1.825 53.823 52.037 -0.065 0.000 0.644 1219 A CB -0.405 18.561 19.000 -0.057 0.000 0.805 1219 A HN 0.453 nan 8.150 nan 0.000 0.449 1220 D N -1.035 119.349 120.400 -0.028 0.000 2.149 1220 D HA -0.076 4.564 4.640 0.000 0.000 0.201 1220 D C 1.766 178.005 176.300 -0.101 0.000 0.972 1220 D CA 1.086 55.040 54.000 -0.076 0.000 0.835 1220 D CB -0.456 40.267 40.800 -0.130 0.000 0.966 1220 D HN 0.626 nan 8.370 nan 0.000 0.476 1221 H N 0.042 119.047 119.070 -0.109 0.000 2.389 1221 H HA 0.045 4.602 4.556 0.000 0.000 0.299 1221 H C 2.223 177.485 175.328 -0.109 0.000 1.081 1221 H CA 0.632 56.605 56.048 -0.125 0.000 1.345 1221 H CB 0.228 29.873 29.762 -0.195 0.000 1.393 1221 H HN 0.159 nan 8.280 nan 0.000 0.520 1222 L N 0.008 121.250 121.223 0.031 0.000 2.131 1222 L HA -0.111 4.229 4.340 0.000 0.000 0.206 1222 L C 2.263 179.255 176.870 0.203 0.000 1.087 1222 L CA 0.428 55.314 54.840 0.077 0.000 0.767 1222 L CB -0.148 41.932 42.059 0.035 0.000 0.917 1222 L HN 0.117 nan 8.230 nan 0.000 0.441 1223 L N 0.487 121.760 121.223 0.083 0.000 2.492 1223 L HA 0.234 4.574 4.340 0.000 0.000 0.223 1223 L C 1.391 178.275 176.870 0.023 0.000 1.132 1223 L CA 0.079 54.940 54.840 0.035 0.000 0.850 1223 L CB -0.468 41.581 42.059 -0.016 0.000 0.966 1223 L HN 0.077 nan 8.230 nan 0.000 0.454 1224 A N 1.987 124.826 122.820 0.031 0.000 2.583 1224 A HA 0.119 4.439 4.320 0.000 0.000 0.249 1224 A C -2.086 175.530 177.584 0.054 0.000 1.035 1224 A CA -0.644 51.405 52.037 0.020 0.000 0.777 1224 A CB -1.091 17.918 19.000 0.014 0.000 0.942 1224 A HN 0.200 nan 8.150 nan 0.000 0.516 1225 P HA 0.072 nan 4.420 nan 0.000 0.268 1225 P C 0.091 177.384 177.300 -0.012 0.000 1.204 1225 P CA 0.081 63.176 63.100 -0.008 0.000 0.768 1225 P CB 0.264 31.942 31.700 -0.038 0.000 0.842 1226 T N 4.052 118.562 114.554 -0.074 0.000 2.946 1226 T HA -0.003 4.347 4.350 0.000 0.000 0.312 1226 T C 0.825 175.320 174.700 -0.342 0.000 1.066 1226 T CA 0.093 62.002 62.100 -0.317 0.000 1.138 1226 T CB -0.020 68.620 68.868 -0.381 0.000 1.014 1226 T HN 0.262 nan 8.240 nan 0.000 0.544 1227 R N 2.875 123.102 120.500 -0.454 0.000 2.347 1227 R HA 0.242 4.582 4.340 0.000 0.000 0.304 1227 R C -0.222 175.624 176.300 -0.758 0.000 1.072 1227 R CA -0.205 55.618 56.100 -0.462 0.000 0.980 1227 R CB 0.096 30.196 30.300 -0.332 0.000 0.986 1227 R HN 0.607 nan 8.270 nan 0.000 0.448 1228 I N 5.776 126.014 120.570 -0.554 0.000 2.312 1228 I HA 0.058 4.228 4.170 0.000 0.000 0.291 1228 I C 0.082 175.926 176.117 -0.455 0.000 1.031 1228 I CA -0.273 60.765 61.300 -0.437 0.000 1.293 1228 I CB 0.772 38.626 38.000 -0.243 0.000 1.403 1228 I HN 0.613 nan 8.210 nan 0.000 0.484 1229 Y N 4.720 124.970 120.300 -0.084 0.000 2.468 1229 Y HA 0.052 4.602 4.550 0.000 0.000 0.268 1229 Y C 1.725 177.583 175.900 -0.070 0.000 1.177 1229 Y CA -0.123 57.937 58.100 -0.066 0.000 1.265 1229 Y CB -0.385 38.032 38.460 -0.072 0.000 1.103 1229 Y HN 0.397 nan 8.280 nan 0.000 0.522 1230 V N 0.741 120.665 119.914 0.016 0.000 2.220 1230 V HA -0.407 3.713 4.120 0.000 0.000 0.250 1230 V C 2.183 178.281 176.094 0.007 0.000 1.056 1230 V CA 2.241 64.539 62.300 -0.003 0.000 1.016 1230 V CB -0.490 31.312 31.823 -0.036 0.000 0.639 1230 V HN 0.370 nan 8.190 nan 0.000 0.446 1231 K N 0.737 121.137 120.400 -0.001 0.000 2.147 1231 K HA -0.142 4.178 4.320 0.000 0.000 0.205 1231 K C 2.331 178.940 176.600 0.015 0.000 1.049 1231 K CA 1.691 57.980 56.287 0.003 0.000 0.936 1231 K CB -0.343 32.154 32.500 -0.005 0.000 0.722 1231 K HN 0.691 nan 8.250 nan 0.000 0.446 1232 S N 0.263 115.982 115.700 0.033 0.000 2.414 1232 S HA -0.043 4.427 4.470 0.000 0.000 0.227 1232 S C 2.098 176.713 174.600 0.025 0.000 1.022 1232 S CA 0.587 58.811 58.200 0.040 0.000 0.958 1232 S CB -0.246 63.001 63.200 0.078 0.000 0.797 1232 S HN -0.000 nan 8.310 nan 0.000 0.493 1233 V N 1.883 121.813 119.914 0.027 0.000 2.446 1233 V HA 0.090 4.210 4.120 0.000 0.000 0.244 1233 V C 2.447 178.539 176.094 -0.003 0.000 1.039 1233 V CA 1.128 63.429 62.300 0.000 0.000 1.045 1233 V CB -0.704 31.116 31.823 -0.004 0.000 0.681 1233 V HN 0.438 nan 8.190 nan 0.000 0.459 1234 L N 0.207 121.433 121.223 0.004 0.000 2.191 1234 L HA -0.175 4.165 4.340 0.000 0.000 0.212 1234 L C 2.553 179.424 176.870 0.001 0.000 1.103 1234 L CA 1.708 56.551 54.840 0.005 0.000 0.769 1234 L CB -0.351 41.714 42.059 0.010 0.000 0.908 1234 L HN 0.439 nan 8.230 nan 0.000 0.438 1235 E N 0.695 120.895 120.200 0.000 0.000 2.051 1235 E HA -0.168 4.182 4.350 0.000 0.000 0.189 1235 E C 2.220 178.816 176.600 -0.007 0.000 0.979 1235 E CA 0.896 57.294 56.400 -0.003 0.000 0.803 1235 E CB -0.212 29.488 29.700 0.001 0.000 0.761 1235 E HN 0.309 nan 8.360 nan 0.000 0.451 1236 L N 0.508 121.725 121.223 -0.010 0.000 2.012 1236 L HA -0.166 4.175 4.340 0.000 0.000 0.210 1236 L C 2.396 179.253 176.870 -0.022 0.000 1.073 1236 L CA 1.563 56.391 54.840 -0.020 0.000 0.748 1236 L CB -0.321 41.720 42.059 -0.031 0.000 0.891 1236 L HN 0.308 nan 8.230 nan 0.000 0.431 1237 I N -0.352 120.208 120.570 -0.018 0.000 2.248 1237 I HA -0.331 3.839 4.170 0.000 0.000 0.248 1237 I C 2.320 178.432 176.117 -0.008 0.000 1.107 1237 I CA 1.282 62.575 61.300 -0.012 0.000 1.373 1237 I CB -0.244 37.754 38.000 -0.004 0.000 1.055 1237 I HN 0.295 nan 8.210 nan 0.000 0.418 1238 E N 0.893 121.088 120.200 -0.008 0.000 2.107 1238 E HA -0.111 4.239 4.350 0.000 0.000 0.191 1238 E C 1.941 178.535 176.600 -0.010 0.000 0.982 1238 E CA 1.053 57.448 56.400 -0.008 0.000 0.809 1238 E CB 0.112 29.805 29.700 -0.010 0.000 0.756 1238 E HN 0.313 nan 8.360 nan 0.000 0.459 1239 K N -0.825 119.568 120.400 -0.013 0.000 2.379 1239 K HA 0.176 4.496 4.320 0.000 0.000 0.194 1239 K C -0.415 176.174 176.600 -0.018 0.000 1.031 1239 K CA 0.102 56.381 56.287 -0.014 0.000 1.037 1239 K CB 1.305 33.797 32.500 -0.013 0.000 0.824 1239 K HN -0.091 nan 8.250 nan 0.000 0.516 1240 V N 1.004 120.904 119.914 -0.024 0.000 2.925 1240 V HA 0.066 4.187 4.120 0.000 0.000 0.311 1240 V C -1.318 174.753 176.094 -0.038 0.000 1.104 1240 V CA -1.189 61.090 62.300 -0.036 0.000 0.954 1240 V CB 2.197 33.991 31.823 -0.049 0.000 1.022 1240 V HN 0.001 nan 8.190 nan 0.000 0.427 1241 D N 2.570 122.941 120.400 -0.049 0.000 2.359 1241 D HA 0.311 4.951 4.640 0.000 0.000 0.250 1241 D C -0.489 175.746 176.300 -0.110 0.000 1.264 1241 D CA 0.293 54.269 54.000 -0.040 0.000 0.911 1241 D CB 0.822 41.610 40.800 -0.020 0.000 1.056 1241 D HN 0.220 nan 8.370 nan 0.000 0.499 1242 V N 5.280 125.167 119.914 -0.044 0.000 2.439 1242 V HA 0.145 4.265 4.120 0.000 0.000 0.282 1242 V C 0.919 177.064 176.094 0.084 0.000 1.039 1242 V CA -0.551 61.716 62.300 -0.056 0.000 0.913 1242 V CB 1.502 33.304 31.823 -0.035 0.000 0.983 1242 V HN 0.608 nan 8.190 nan 0.000 0.460 1243 H N 2.703 121.752 119.070 -0.035 0.000 2.486 1243 H HA 0.628 5.184 4.556 0.000 0.000 0.287 1243 H C 0.627 175.935 175.328 -0.033 0.000 1.010 1243 H CA 0.839 56.870 56.048 -0.030 0.000 1.324 1243 H CB 0.774 30.519 29.762 -0.028 0.000 1.446 1243 H HN 0.769 nan 8.280 nan 0.000 0.537 1244 A N -0.055 122.812 122.820 0.078 0.000 2.567 1244 A HA 0.571 4.891 4.320 0.000 0.000 0.291 1244 A C -1.589 175.978 177.584 -0.028 0.000 1.048 1244 A CA -0.617 51.430 52.037 0.017 0.000 0.661 1244 A CB 0.720 19.728 19.000 0.014 0.000 1.288 1244 A HN 0.057 nan 8.150 nan 0.000 0.424 1245 I N 0.054 120.599 120.570 -0.041 0.000 2.619 1245 I HA 0.675 4.845 4.170 0.000 0.000 0.292 1245 I C 0.030 176.108 176.117 -0.064 0.000 1.100 1245 I CA -0.722 60.534 61.300 -0.073 0.000 1.043 1245 I CB 2.356 40.313 38.000 -0.071 0.000 1.239 1245 I HN 0.955 nan 8.210 nan 0.000 0.420 1246 A N 3.338 126.102 122.820 -0.094 0.000 2.335 1246 A HA 0.578 4.898 4.320 0.000 0.000 0.304 1246 A C -1.275 176.280 177.584 -0.050 0.000 1.118 1246 A CA -0.432 51.561 52.037 -0.073 0.000 0.757 1246 A CB 0.633 19.564 19.000 -0.115 0.000 1.188 1246 A HN 0.740 nan 8.150 nan 0.000 0.460 1247 H N 3.044 122.052 119.070 -0.102 0.000 2.668 1247 H HA 0.471 5.027 4.556 0.000 0.000 0.303 1247 H C -0.697 174.589 175.328 -0.070 0.000 1.074 1247 H CA -0.629 55.377 56.048 -0.071 0.000 1.406 1247 H CB 0.411 30.170 29.762 -0.004 0.000 1.442 1247 H HN 0.525 nan 8.280 nan 0.000 0.482 1248 L N 6.583 127.664 121.223 -0.238 0.000 2.295 1248 L HA 0.211 4.552 4.340 0.000 0.000 0.288 1248 L C 0.969 177.654 176.870 -0.309 0.000 1.079 1248 L CA -0.155 54.513 54.840 -0.287 0.000 0.830 1248 L CB 0.251 42.114 42.059 -0.326 0.000 1.200 1248 L HN 0.796 nan 8.230 nan 0.000 0.438 1249 T N -0.581 113.827 114.554 -0.244 0.000 2.061 1249 T HA 0.364 4.714 4.350 0.000 0.000 0.190 1249 T C 0.666 175.346 174.700 -0.032 0.000 0.781 1249 T CA -0.044 61.970 62.100 -0.144 0.000 1.192 1249 T CB 0.146 68.920 68.868 -0.157 0.000 2.891 1249 T HN 0.415 nan 8.240 nan 0.000 0.450 1250 G N -0.454 108.346 108.800 -0.000 0.000 2.343 1250 G HA2 0.424 4.384 3.960 0.000 0.000 0.254 1250 G HA3 0.424 4.384 3.960 0.000 0.000 0.254 1250 G C 1.088 176.007 174.900 0.032 0.000 1.277 1250 G CA 0.125 45.240 45.100 0.025 0.000 0.909 1250 G HN 1.895 nan 8.290 nan 0.000 0.502 1251 G N 1.107 109.938 108.800 0.051 0.000 2.213 1251 G HA2 0.160 4.120 3.960 0.000 0.000 0.226 1251 G HA3 0.160 4.120 3.960 0.000 0.000 0.226 1251 G C 1.456 176.429 174.900 0.121 0.000 0.992 1251 G CA 0.716 45.878 45.100 0.104 0.000 0.632 1251 G HN 2.581 nan 8.290 nan 0.000 0.511 1252 G N -0.071 108.762 108.800 0.054 0.000 2.594 1252 G HA2 -0.182 3.778 3.960 0.000 0.000 0.297 1252 G HA3 -0.182 3.778 3.960 0.000 0.000 0.297 1252 G C 0.859 175.761 174.900 0.004 0.000 1.273 1252 G CA 0.997 46.129 45.100 0.053 0.000 0.974 1252 G HN 0.974 nan 8.290 nan 0.000 0.552 1253 F N 0.059 119.813 119.950 -0.326 0.000 2.095 1253 F HA 0.042 4.569 4.527 0.000 0.000 0.298 1253 F C 2.815 178.428 175.800 -0.312 0.000 1.104 1253 F CA 2.363 60.106 58.000 -0.430 0.000 1.232 1253 F CB -0.807 37.750 39.000 -0.739 0.000 0.987 1253 F HN 0.486 nan 8.300 nan 0.000 0.475 1254 W N 0.023 121.443 121.300 0.199 0.000 2.374 1254 W HA -0.159 4.501 4.660 0.000 0.000 0.288 1254 W C 2.337 178.907 176.519 0.084 0.000 1.218 1254 W CA 0.979 58.392 57.345 0.114 0.000 1.245 1254 W CB -0.434 29.075 29.460 0.081 0.000 1.126 1254 W HN 0.028 nan 8.180 nan 0.000 0.545 1255 E N 0.363 120.706 120.200 0.238 0.000 2.162 1255 E HA -0.071 4.279 4.350 0.000 0.000 0.193 1255 E C 1.791 178.431 176.600 0.067 0.000 0.953 1255 E CA 0.993 57.479 56.400 0.143 0.000 0.849 1255 E CB -0.482 29.288 29.700 0.117 0.000 0.810 1255 E HN -0.010 nan 8.360 nan 0.000 0.470 1256 N N 0.328 119.034 118.700 0.010 0.000 2.457 1256 N HA 0.009 4.750 4.740 0.000 0.000 0.180 1256 N C 1.670 177.145 175.510 -0.059 0.000 1.050 1256 N CA 0.763 53.787 53.050 -0.043 0.000 0.906 1256 N CB 0.293 38.718 38.487 -0.104 0.000 0.968 1256 N HN 0.317 nan 8.380 nan 0.000 0.445 1257 I N 1.129 121.666 120.570 -0.054 0.000 2.480 1257 I HA -0.046 4.124 4.170 0.000 0.000 0.251 1257 I C -0.785 175.332 176.117 -0.001 0.000 1.124 1257 I CA 0.559 61.827 61.300 -0.054 0.000 1.444 1257 I CB -1.039 36.922 38.000 -0.065 0.000 1.098 1257 I HN -0.071 nan 8.210 nan 0.000 0.428 1258 P HA -0.091 nan 4.420 nan 0.000 0.222 1258 P C 1.316 178.633 177.300 0.029 0.000 1.147 1258 P CA 1.167 64.296 63.100 0.048 0.000 0.790 1258 P CB -0.068 31.678 31.700 0.077 0.000 0.780 1259 R N -0.343 120.169 120.500 0.020 0.000 2.159 1259 R HA -0.076 4.264 4.340 0.000 0.000 0.237 1259 R C 1.664 177.968 176.300 0.005 0.000 1.131 1259 R CA 1.622 57.731 56.100 0.014 0.000 0.982 1259 R CB -0.845 29.461 30.300 0.010 0.000 0.868 1259 R HN 0.247 nan 8.270 nan 0.000 0.453 1260 V N -2.206 117.706 119.914 -0.003 0.000 3.578 1260 V HA 0.285 4.405 4.120 0.000 0.000 0.290 1260 V C 0.408 176.501 176.094 -0.001 0.000 1.376 1260 V CA -0.087 62.209 62.300 -0.007 0.000 1.083 1260 V CB -0.079 31.732 31.823 -0.020 0.000 0.911 1260 V HN 0.001 nan 8.190 nan 0.000 0.433 1261 L N 2.296 123.523 121.223 0.006 0.000 2.276 1261 L HA 0.531 4.871 4.340 0.000 0.000 0.286 1261 L C -1.997 174.879 176.870 0.010 0.000 1.061 1261 L CA -1.553 53.294 54.840 0.011 0.000 0.807 1261 L CB 1.450 43.522 42.059 0.022 0.000 1.177 1261 L HN 0.154 nan 8.230 nan 0.000 0.429 1262 P HA 0.114 nan 4.420 nan 0.000 0.289 1262 P C -1.077 176.228 177.300 0.008 0.000 1.299 1262 P CA -0.624 62.477 63.100 0.002 0.000 0.766 1262 P CB 0.499 32.195 31.700 -0.007 0.000 1.226 1263 D N 1.046 121.450 120.400 0.005 0.000 2.389 1263 D HA 0.018 4.658 4.640 0.000 0.000 0.247 1263 D C 0.266 176.572 176.300 0.010 0.000 1.128 1263 D CA 0.408 54.414 54.000 0.009 0.000 0.884 1263 D CB -0.202 40.602 40.800 0.006 0.000 1.194 1263 D HN 0.417 nan 8.370 nan 0.000 0.441 1264 N N 0.782 119.491 118.700 0.014 0.000 2.780 1264 N HA -0.145 4.595 4.740 0.000 0.000 0.247 1264 N C -0.755 174.765 175.510 0.017 0.000 1.076 1264 N CA 0.553 53.612 53.050 0.015 0.000 0.688 1264 N CB -0.957 37.537 38.487 0.011 0.000 0.957 1264 N HN 0.593 nan 8.380 nan 0.000 0.551 1265 T N -2.512 112.055 114.554 0.022 0.000 2.916 1265 T HA 0.534 4.884 4.350 0.000 0.000 0.305 1265 T C -0.738 173.983 174.700 0.034 0.000 1.119 1265 T CA -0.811 61.304 62.100 0.025 0.000 1.008 1265 T CB 3.122 72.002 68.868 0.021 0.000 1.129 1265 T HN 0.222 nan 8.240 nan 0.000 0.480 1266 Q N 0.959 120.782 119.800 0.038 0.000 2.375 1266 Q HA 0.682 5.022 4.340 0.000 0.000 0.271 1266 Q C -1.383 174.647 176.000 0.050 0.000 1.074 1266 Q CA -1.108 54.725 55.803 0.051 0.000 0.808 1266 Q CB 2.051 30.822 28.738 0.054 0.000 1.327 1266 Q HN 1.062 nan 8.270 nan 0.000 0.441 1267 A N 3.345 126.201 122.820 0.060 0.000 2.252 1267 A HA 0.522 4.842 4.320 0.000 0.000 0.309 1267 A C -0.830 176.794 177.584 0.068 0.000 1.285 1267 A CA -0.462 51.605 52.037 0.050 0.000 0.900 1267 A CB 0.598 19.621 19.000 0.039 0.000 1.157 1267 A HN 0.477 nan 8.150 nan 0.000 0.536 1268 V N 5.355 125.304 119.914 0.059 0.000 2.311 1268 V HA 0.238 4.358 4.120 0.000 0.000 0.275 1268 V C -0.172 175.968 176.094 0.077 0.000 1.022 1268 V CA -0.507 61.836 62.300 0.071 0.000 0.830 1268 V CB 0.770 32.631 31.823 0.063 0.000 1.012 1268 V HN 0.687 nan 8.190 nan 0.000 0.452 1269 I N 3.585 124.212 120.570 0.095 0.000 2.396 1269 I HA 0.307 4.477 4.170 0.000 0.000 0.292 1269 I C 0.140 176.365 176.117 0.180 0.000 0.999 1269 I CA -0.202 61.182 61.300 0.141 0.000 1.310 1269 I CB 1.517 39.613 38.000 0.160 0.000 1.404 1269 I HN 0.602 nan 8.210 nan 0.000 0.496 1270 D N 4.825 125.374 120.400 0.249 0.000 2.428 1270 D HA 0.083 4.723 4.640 0.000 0.000 0.221 1270 D C 0.945 177.475 176.300 0.384 0.000 1.123 1270 D CA -0.103 54.047 54.000 0.250 0.000 0.869 1270 D CB 0.752 41.683 40.800 0.219 0.000 1.032 1270 D HN 0.569 nan 8.370 nan 0.000 0.506 1271 E N 1.816 122.149 120.200 0.222 0.000 2.265 1271 E HA -0.182 4.168 4.350 0.000 0.000 0.196 1271 E C 1.382 177.907 176.600 -0.124 0.000 0.996 1271 E CA 1.083 57.497 56.400 0.024 0.000 0.832 1271 E CB 0.284 29.952 29.700 -0.055 0.000 0.756 1271 E HN 0.506 nan 8.360 nan 0.000 0.491 1272 S N -0.492 115.217 115.700 0.015 0.000 2.496 1272 S HA -0.087 4.383 4.470 0.000 0.000 0.224 1272 S C 1.936 176.582 174.600 0.076 0.000 0.996 1272 S CA 0.740 58.929 58.200 -0.019 0.000 0.927 1272 S CB -0.053 63.148 63.200 0.002 0.000 0.774 1272 S HN 0.282 nan 8.310 nan 0.000 0.524 1273 S N 0.383 116.248 115.700 0.275 0.000 2.442 1273 S HA 0.014 4.484 4.470 0.000 0.000 0.236 1273 S C 0.402 175.159 174.600 0.261 0.000 1.007 1273 S CA 0.300 58.721 58.200 0.368 0.000 0.965 1273 S CB -0.855 62.711 63.200 0.610 0.000 0.773 1273 S HN 0.958 nan 8.310 nan 0.000 0.504 1274 W N 0.906 122.146 121.300 -0.099 0.000 3.075 1274 W HA 0.647 5.307 4.660 0.000 0.000 0.334 1274 W C -1.607 174.837 176.519 -0.124 0.000 1.243 1274 W CA -1.207 55.943 57.345 -0.324 0.000 1.170 1274 W CB 0.869 29.897 29.460 -0.719 0.000 1.452 1274 W HN -0.084 nan 8.180 nan 0.000 0.572 1275 Q N 2.242 121.971 119.800 -0.118 0.000 2.347 1275 Q HA 0.233 4.573 4.340 0.000 0.000 0.262 1275 Q C -0.935 175.127 176.000 0.103 0.000 0.980 1275 Q CA -0.587 55.133 55.803 -0.138 0.000 0.867 1275 Q CB 0.870 29.570 28.738 -0.064 0.000 1.242 1275 Q HN 0.577 nan 8.270 nan 0.000 0.453 1276 W N 3.698 124.877 121.300 -0.203 0.000 2.295 1276 W HA 0.191 4.851 4.660 0.000 0.000 0.335 1276 W C -1.983 174.625 176.519 0.149 0.000 1.351 1276 W CA -1.226 56.136 57.345 0.029 0.000 1.273 1276 W CB -0.593 28.844 29.460 -0.039 0.000 1.214 1276 W HN 0.480 nan 8.180 nan 0.000 0.563 1277 P HA -0.019 nan 4.420 nan 0.000 0.269 1277 P C 0.843 178.277 177.300 0.224 0.000 1.209 1277 P CA 0.154 63.442 63.100 0.312 0.000 0.776 1277 P CB 0.673 32.566 31.700 0.320 0.000 0.876 1278 E N 0.965 121.230 120.200 0.107 0.000 2.208 1278 E HA -0.214 4.137 4.350 0.000 0.000 0.202 1278 E C 1.568 178.144 176.600 -0.041 0.000 1.014 1278 E CA 1.571 57.993 56.400 0.036 0.000 0.819 1278 E CB -0.446 29.238 29.700 -0.027 0.000 0.735 1278 E HN 0.293 nan 8.360 nan 0.000 0.469 1279 V N -0.206 119.575 119.914 -0.221 0.000 2.332 1279 V HA -0.257 3.863 4.120 0.000 0.000 0.248 1279 V C 2.032 177.906 176.094 -0.365 0.000 1.055 1279 V CA 1.777 63.840 62.300 -0.394 0.000 1.038 1279 V CB -0.934 30.502 31.823 -0.645 0.000 0.651 1279 V HN 0.089 nan 8.190 nan 0.000 0.450 1280 F N 1.462 121.329 119.950 -0.138 0.000 2.234 1280 F HA -0.007 4.520 4.527 0.000 0.000 0.299 1280 F C 2.259 178.058 175.800 -0.003 0.000 1.087 1280 F CA 1.477 59.324 58.000 -0.255 0.000 1.340 1280 F CB -1.206 37.503 39.000 -0.485 0.000 1.031 1280 F HN 0.168 nan 8.300 nan 0.000 0.500 1281 N N -1.164 117.718 118.700 0.303 0.000 2.106 1281 N HA -0.240 4.500 4.740 0.000 0.000 0.188 1281 N C 1.688 177.279 175.510 0.135 0.000 1.029 1281 N CA 1.145 54.356 53.050 0.268 0.000 0.848 1281 N CB -0.451 38.152 38.487 0.194 0.000 1.007 1281 N HN 0.305 nan 8.380 nan 0.000 0.423 1282 W N 1.849 123.119 121.300 -0.051 0.000 2.358 1282 W HA -0.042 4.618 4.660 0.000 0.000 0.303 1282 W C 1.688 178.157 176.519 -0.084 0.000 1.208 1282 W CA 0.999 58.291 57.345 -0.089 0.000 1.274 1282 W CB -0.219 29.145 29.460 -0.160 0.000 1.138 1282 W HN -0.006 nan 8.180 nan 0.000 0.515 1283 L N 0.047 121.387 121.223 0.195 0.000 2.141 1283 L HA -0.217 4.123 4.340 0.000 0.000 0.209 1283 L C 2.606 179.486 176.870 0.017 0.000 1.094 1283 L CA 1.766 56.658 54.840 0.088 0.000 0.763 1283 L CB -0.867 41.096 42.059 -0.161 0.000 0.908 1283 L HN 0.130 nan 8.230 nan 0.000 0.437 1284 Q N -0.568 119.263 119.800 0.051 0.000 2.083 1284 Q HA -0.163 4.177 4.340 0.000 0.000 0.198 1284 Q C 2.009 177.999 176.000 -0.016 0.000 0.969 1284 Q CA 2.019 57.876 55.803 0.090 0.000 0.838 1284 Q CB 0.066 28.939 28.738 0.224 0.000 0.900 1284 Q HN 0.348 nan 8.270 nan 0.000 0.436 1285 T N 0.526 115.012 114.554 -0.112 0.000 2.701 1285 T HA -0.061 4.289 4.350 0.000 0.000 0.263 1285 T C 1.799 176.328 174.700 -0.286 0.000 1.040 1285 T CA 1.289 63.273 62.100 -0.193 0.000 1.147 1285 T CB -0.448 68.273 68.868 -0.245 0.000 0.865 1285 T HN 0.463 nan 8.240 nan 0.000 0.426 1286 A N 0.853 123.359 122.820 -0.523 0.000 2.067 1286 A HA 0.200 4.520 4.320 0.000 0.000 0.219 1286 A C 2.326 179.759 177.584 -0.250 0.000 1.158 1286 A CA 1.602 53.305 52.037 -0.556 0.000 0.661 1286 A CB -0.755 17.541 19.000 -1.174 0.000 0.801 1286 A HN 0.531 nan 8.150 nan 0.000 0.452 1287 G N -1.820 106.892 108.800 -0.146 0.000 3.044 1287 G HA2 0.207 4.168 3.960 0.000 0.000 0.223 1287 G HA3 0.207 4.168 3.960 0.000 0.000 0.223 1287 G C 0.478 175.375 174.900 -0.004 0.000 1.123 1287 G CA 0.557 45.640 45.100 -0.027 0.000 0.765 1287 G HN 0.530 nan 8.290 nan 0.000 0.546 1288 N N -0.298 118.387 118.700 -0.025 0.000 2.727 1288 N HA -0.180 4.560 4.740 0.000 0.000 0.249 1288 N C -0.015 175.522 175.510 0.045 0.000 1.048 1288 N CA 0.481 53.531 53.050 0.001 0.000 0.714 1288 N CB -1.429 37.053 38.487 -0.008 0.000 0.959 1288 N HN 0.116 nan 8.380 nan 0.000 0.544 1289 V N 0.365 120.324 119.914 0.075 0.000 2.686 1289 V HA 0.144 4.264 4.120 0.000 0.000 0.295 1289 V C 1.101 177.280 176.094 0.141 0.000 1.055 1289 V CA -0.142 62.228 62.300 0.118 0.000 1.050 1289 V CB 1.245 33.166 31.823 0.163 0.000 0.984 1289 V HN 0.239 nan 8.190 nan 0.000 0.482 1290 E N 2.124 122.417 120.200 0.156 0.000 2.319 1290 E HA 0.160 4.511 4.350 0.000 0.000 0.268 1290 E C 0.904 177.681 176.600 0.295 0.000 1.050 1290 E CA -0.570 55.948 56.400 0.197 0.000 0.878 1290 E CB 0.771 30.570 29.700 0.165 0.000 1.066 1290 E HN 0.702 nan 8.360 nan 0.000 0.406 1291 H N 2.438 121.652 119.070 0.241 0.000 2.292 1291 H HA -0.266 4.290 4.556 0.000 0.000 0.292 1291 H C 1.763 177.387 175.328 0.493 0.000 1.100 1291 H CA 2.146 58.406 56.048 0.355 0.000 1.238 1291 H CB 0.128 30.067 29.762 0.295 0.000 1.355 1291 H HN 0.625 nan 8.280 nan 0.000 0.484 1292 H N 0.208 119.612 119.070 0.557 0.000 2.357 1292 H HA -0.077 4.479 4.556 0.000 0.000 0.301 1292 H C 2.261 177.881 175.328 0.487 0.000 1.082 1292 H CA 1.262 57.625 56.048 0.524 0.000 1.342 1292 H CB 0.300 30.129 29.762 0.112 0.000 1.389 1292 H HN 0.370 nan 8.280 nan 0.000 0.511 1293 E N 0.398 120.827 120.200 0.381 0.000 2.077 1293 E HA -0.138 4.212 4.350 0.000 0.000 0.193 1293 E C 2.348 179.041 176.600 0.155 0.000 0.989 1293 E CA 0.562 57.107 56.400 0.241 0.000 0.800 1293 E CB -0.016 29.784 29.700 0.167 0.000 0.746 1293 E HN 0.408 nan 8.360 nan 0.000 0.452 1294 M N -0.534 119.147 119.600 0.135 0.000 2.108 1294 M HA -0.186 4.294 4.480 0.000 0.000 0.261 1294 M C 1.922 178.081 176.300 -0.235 0.000 1.066 1294 M CA 1.313 56.588 55.300 -0.042 0.000 1.107 1294 M CB -1.066 31.447 32.600 -0.144 0.000 1.356 1294 M HN 0.145 nan 8.290 nan 0.000 0.406 1295 Y N -0.724 119.548 120.300 -0.047 0.000 2.546 1295 Y HA -0.032 4.518 4.550 0.000 0.000 0.287 1295 Y C 2.504 178.295 175.900 -0.181 0.000 1.158 1295 Y CA 0.765 58.682 58.100 -0.305 0.000 1.307 1295 Y CB -0.444 37.617 38.460 -0.666 0.000 1.036 1295 Y HN 0.239 nan 8.280 nan 0.000 0.532 1296 R N -0.973 119.675 120.500 0.248 0.000 2.087 1296 R HA -0.022 4.318 4.340 0.000 0.000 0.216 1296 R C 1.700 178.040 176.300 0.068 0.000 1.114 1296 R CA 1.580 57.874 56.100 0.325 0.000 1.002 1296 R CB -0.215 30.328 30.300 0.405 0.000 0.903 1296 R HN 0.034 nan 8.270 nan 0.000 0.445 1297 T N 0.175 114.665 114.554 -0.106 0.000 2.894 1297 T HA 0.151 4.502 4.350 0.000 0.000 0.258 1297 T C -0.193 174.227 174.700 -0.467 0.000 1.043 1297 T CA 0.776 62.649 62.100 -0.379 0.000 1.141 1297 T CB -0.001 68.450 68.868 -0.695 0.000 0.873 1297 T HN -0.044 nan 8.240 nan 0.000 0.449 1298 F N 2.103 122.024 119.950 -0.047 0.000 2.470 1298 F HA 0.372 4.899 4.527 0.000 0.000 0.329 1298 F C 1.161 176.834 175.800 -0.212 0.000 1.072 1298 F CA -2.113 55.834 58.000 -0.088 0.000 0.989 1298 F CB 0.765 39.721 39.000 -0.072 0.000 1.193 1298 F HN 0.019 nan 8.300 nan 0.000 0.481 1299 N N -1.223 117.480 118.700 0.005 0.000 2.515 1299 N HA -0.090 4.650 4.740 0.000 0.000 0.185 1299 N C 0.457 175.777 175.510 -0.315 0.000 1.109 1299 N CA 0.303 53.309 53.050 -0.074 0.000 0.903 1299 N CB -0.516 37.931 38.487 -0.066 0.000 0.969 1299 N HN 0.494 nan 8.380 nan 0.000 0.450 1300 C N -0.576 117.979 119.300 -1.241 0.000 4.185 1300 C HA -0.027 4.433 4.460 0.000 0.000 0.297 1300 C C 1.658 176.156 174.990 -0.820 0.000 1.463 1300 C CA 0.459 58.374 59.018 -1.838 0.000 2.032 1300 C CB -2.454 24.376 27.740 -1.517 0.000 1.282 1300 C HN 0.982 nan 8.230 nan 0.000 0.770 1301 G N -2.560 105.923 108.800 -0.529 0.000 2.176 1301 G HA2 -0.083 3.877 3.960 0.000 0.000 0.232 1301 G HA3 -0.083 3.877 3.960 0.000 0.000 0.232 1301 G C -0.177 174.822 174.900 0.166 0.000 0.986 1301 G CA 0.148 45.343 45.100 0.158 0.000 0.643 1301 G HN 1.379 nan 8.290 nan 0.000 0.522 1302 V N 1.055 120.984 119.914 0.024 0.000 2.350 1302 V HA 0.691 4.811 4.120 0.000 0.000 0.285 1302 V C 1.301 177.292 176.094 -0.171 0.000 1.014 1302 V CA 0.311 62.548 62.300 -0.105 0.000 0.831 1302 V CB 0.944 32.604 31.823 -0.272 0.000 1.000 1302 V HN 0.500 nan 8.190 nan 0.000 0.433 1303 G N 3.667 112.412 108.800 -0.093 0.000 2.595 1303 G HA2 0.214 4.174 3.960 0.000 0.000 0.213 1303 G HA3 0.214 4.174 3.960 0.000 0.000 0.213 1303 G C 0.225 175.080 174.900 -0.074 0.000 1.141 1303 G CA 0.153 45.294 45.100 0.068 0.000 0.806 1303 G HN 0.513 nan 8.290 nan 0.000 0.530 1304 M N 0.656 120.029 119.600 -0.378 0.000 2.324 1304 M HA 0.573 5.053 4.480 0.000 0.000 0.288 1304 M C -2.049 173.980 176.300 -0.451 0.000 1.097 1304 M CA -0.531 54.520 55.300 -0.415 0.000 0.928 1304 M CB 2.627 34.826 32.600 -0.668 0.000 1.648 1304 M HN -0.158 nan 8.290 nan 0.000 0.460 1305 I N 5.875 126.221 120.570 -0.373 0.000 2.389 1305 I HA 0.462 4.633 4.170 0.000 0.000 0.288 1305 I C -1.031 174.923 176.117 -0.271 0.000 0.999 1305 I CA -0.610 60.463 61.300 -0.377 0.000 1.129 1305 I CB 1.601 39.363 38.000 -0.397 0.000 1.288 1305 I HN 0.655 nan 8.210 nan 0.000 0.444 1306 I N 5.393 125.805 120.570 -0.264 0.000 2.441 1306 I HA 0.597 4.767 4.170 0.000 0.000 0.295 1306 I C 0.127 176.148 176.117 -0.159 0.000 0.994 1306 I CA -0.568 60.619 61.300 -0.190 0.000 1.144 1306 I CB 2.003 39.892 38.000 -0.186 0.000 1.314 1306 I HN 0.558 nan 8.210 nan 0.000 0.445 1307 A N 7.929 130.683 122.820 -0.110 0.000 2.303 1307 A HA 0.924 5.245 4.320 0.000 0.000 0.320 1307 A C -0.687 176.827 177.584 -0.117 0.000 1.192 1307 A CA -0.462 51.526 52.037 -0.082 0.000 0.821 1307 A CB 0.976 19.963 19.000 -0.022 0.000 1.188 1307 A HN 0.767 nan 8.150 nan 0.000 0.492 1308 L N 0.236 121.351 121.223 -0.180 0.000 2.671 1308 L HA 0.782 5.122 4.340 0.000 0.000 0.259 1308 L C -3.038 173.651 176.870 -0.301 0.000 1.021 1308 L CA -2.383 52.240 54.840 -0.362 0.000 0.871 1308 L CB 2.291 44.192 42.059 -0.263 0.000 1.472 1308 L HN 0.387 nan 8.230 nan 0.000 0.410 1309 P HA 0.046 nan 4.420 nan 0.000 0.269 1309 P C 0.482 177.726 177.300 -0.093 0.000 1.215 1309 P CA 0.271 63.278 63.100 -0.154 0.000 0.780 1309 P CB 1.210 32.845 31.700 -0.108 0.000 0.898 1310 A N 4.086 126.880 122.820 -0.043 0.000 1.917 1310 A HA -0.149 4.172 4.320 0.000 0.000 0.219 1310 A C -0.395 177.172 177.584 -0.029 0.000 1.182 1310 A CA 2.007 54.027 52.037 -0.029 0.000 0.633 1310 A CB -2.531 16.464 19.000 -0.009 0.000 0.819 1310 A HN 0.482 nan 8.150 nan 0.000 0.448 1311 P HA -0.066 nan 4.420 nan 0.000 0.223 1311 P C 0.972 178.254 177.300 -0.030 0.000 1.151 1311 P CA 0.839 63.927 63.100 -0.021 0.000 0.787 1311 P CB 0.111 31.803 31.700 -0.014 0.000 0.788 1312 E N -0.928 119.241 120.200 -0.051 0.000 2.442 1312 E HA -0.002 4.348 4.350 0.000 0.000 0.195 1312 E C 1.962 178.529 176.600 -0.055 0.000 1.030 1312 E CA 0.335 56.700 56.400 -0.059 0.000 0.869 1312 E CB -0.502 29.142 29.700 -0.092 0.000 0.857 1312 E HN 0.114 nan 8.360 nan 0.000 0.505 1313 V N 2.090 121.973 119.914 -0.052 0.000 2.282 1313 V HA -0.272 3.848 4.120 0.000 0.000 0.249 1313 V C 1.938 178.017 176.094 -0.026 0.000 1.057 1313 V CA 2.086 64.359 62.300 -0.045 0.000 1.032 1313 V CB -0.401 31.401 31.823 -0.036 0.000 0.645 1313 V HN 0.142 nan 8.190 nan 0.000 0.447 1314 D N -0.157 120.235 120.400 -0.014 0.000 2.144 1314 D HA -0.138 4.502 4.640 0.000 0.000 0.199 1314 D C 2.292 178.589 176.300 -0.005 0.000 0.984 1314 D CA 1.202 55.201 54.000 -0.003 0.000 0.834 1314 D CB -0.130 40.671 40.800 0.002 0.000 0.955 1314 D HN 0.490 nan 8.370 nan 0.000 0.465 1315 K N 0.485 120.878 120.400 -0.013 0.000 2.103 1315 K HA 0.022 4.342 4.320 0.000 0.000 0.204 1315 K C 2.148 178.738 176.600 -0.016 0.000 1.052 1315 K CA 0.919 57.198 56.287 -0.013 0.000 0.945 1315 K CB 0.022 32.512 32.500 -0.017 0.000 0.722 1315 K HN -0.011 nan 8.250 nan 0.000 0.443 1316 A N 1.397 124.201 122.820 -0.028 0.000 1.898 1316 A HA -0.134 4.186 4.320 0.000 0.000 0.216 1316 A C 2.075 179.644 177.584 -0.025 0.000 1.181 1316 A CA 1.171 53.186 52.037 -0.037 0.000 0.620 1316 A CB -0.432 18.531 19.000 -0.061 0.000 0.819 1316 A HN 0.088 nan 8.150 nan 0.000 0.442 1317 L N -0.457 120.757 121.223 -0.015 0.000 2.056 1317 L HA -0.068 4.273 4.340 0.000 0.000 0.207 1317 L C 2.901 179.785 176.870 0.022 0.000 1.078 1317 L CA 1.896 56.740 54.840 0.007 0.000 0.749 1317 L CB -0.908 41.164 42.059 0.022 0.000 0.901 1317 L HN 0.394 nan 8.230 nan 0.000 0.433 1318 A N -1.170 121.660 122.820 0.016 0.000 1.929 1318 A HA -0.146 4.174 4.320 0.000 0.000 0.216 1318 A C 2.316 179.910 177.584 0.017 0.000 1.176 1318 A CA 1.500 53.549 52.037 0.020 0.000 0.628 1318 A CB -0.698 18.311 19.000 0.015 0.000 0.816 1318 A HN 0.416 nan 8.150 nan 0.000 0.444 1319 L N -0.477 120.752 121.223 0.009 0.000 2.005 1319 L HA -0.129 4.211 4.340 0.000 0.000 0.207 1319 L C 2.369 179.248 176.870 0.015 0.000 1.072 1319 L CA 1.510 56.355 54.840 0.008 0.000 0.744 1319 L CB -0.271 41.786 42.059 -0.002 0.000 0.895 1319 L HN 0.403 nan 8.230 nan 0.000 0.433 1320 L N 0.029 121.260 121.223 0.015 0.000 2.005 1320 L HA -0.209 4.131 4.340 0.000 0.000 0.207 1320 L C 2.326 179.224 176.870 0.047 0.000 1.072 1320 L CA 1.285 56.141 54.840 0.027 0.000 0.744 1320 L CB -0.882 41.185 42.059 0.013 0.000 0.895 1320 L HN 0.346 nan 8.230 nan 0.000 0.433 1321 N N 0.156 118.887 118.700 0.052 0.000 2.453 1321 N HA -0.103 4.638 4.740 0.000 0.000 0.183 1321 N C 1.537 177.077 175.510 0.051 0.000 1.041 1321 N CA 1.325 54.414 53.050 0.065 0.000 0.900 1321 N CB -0.001 38.528 38.487 0.071 0.000 0.961 1321 N HN 0.335 nan 8.380 nan 0.000 0.443 1322 A N -0.152 122.691 122.820 0.039 0.000 2.267 1322 A HA 0.147 4.467 4.320 0.000 0.000 0.213 1322 A C 0.804 178.405 177.584 0.029 0.000 1.192 1322 A CA 0.065 52.120 52.037 0.031 0.000 0.851 1322 A CB 0.218 19.232 19.000 0.024 0.000 0.881 1322 A HN 0.108 nan 8.150 nan 0.000 0.494 1323 N N 0.094 118.813 118.700 0.033 0.000 2.660 1323 N HA 0.267 5.007 4.740 0.000 0.000 0.316 1323 N C 0.547 176.080 175.510 0.039 0.000 1.774 1323 N CA 0.587 53.655 53.050 0.030 0.000 0.946 1323 N CB 0.847 39.348 38.487 0.024 0.000 1.322 1323 N HN 0.453 nan 8.380 nan 0.000 0.492 1324 G N 1.110 109.936 108.800 0.043 0.000 2.198 1324 G HA2 -0.270 3.690 3.960 0.000 0.000 0.260 1324 G HA3 -0.270 3.690 3.960 0.000 0.000 0.260 1324 G C 0.022 174.968 174.900 0.078 0.000 1.025 1324 G CA 0.431 45.562 45.100 0.051 0.000 0.769 1324 G HN 0.423 nan 8.290 nan 0.000 0.507 1325 E N -0.720 119.535 120.200 0.092 0.000 2.277 1325 E HA 0.598 4.948 4.350 0.000 0.000 0.266 1325 E C -0.454 176.232 176.600 0.143 0.000 0.901 1325 E CA -1.117 55.362 56.400 0.131 0.000 0.782 1325 E CB 0.858 30.629 29.700 0.118 0.000 1.228 1325 E HN 0.098 nan 8.360 nan 0.000 0.424 1326 N N 1.649 120.466 118.700 0.195 0.000 2.817 1326 N HA 0.463 5.203 4.740 0.000 0.000 0.234 1326 N C -1.808 173.907 175.510 0.342 0.000 1.066 1326 N CA -0.269 52.928 53.050 0.246 0.000 0.926 1326 N CB 0.604 39.247 38.487 0.261 0.000 1.176 1326 N HN 0.449 nan 8.380 nan 0.000 0.506 1327 A N 2.639 125.615 122.820 0.260 0.000 2.325 1327 A HA 0.804 5.124 4.320 0.000 0.000 0.333 1327 A C -1.156 176.632 177.584 0.340 0.000 1.155 1327 A CA -0.714 51.437 52.037 0.191 0.000 0.814 1327 A CB 0.574 19.593 19.000 0.031 0.000 1.206 1327 A HN 0.699 nan 8.150 nan 0.000 0.482 1328 W N 1.266 122.548 121.300 -0.030 0.000 3.248 1328 W HA 0.581 5.241 4.660 0.000 0.000 0.311 1328 W C -0.823 175.682 176.519 -0.022 0.000 1.258 1328 W CA -0.872 56.470 57.345 -0.005 0.000 1.191 1328 W CB 1.077 30.558 29.460 0.035 0.000 1.389 1328 W HN 0.662 nan 8.180 nan 0.000 0.561 1329 K N 3.421 123.893 120.400 0.120 0.000 2.336 1329 K HA 0.167 4.487 4.320 0.000 0.000 0.290 1329 K C 0.130 176.777 176.600 0.078 0.000 1.067 1329 K CA -0.154 56.140 56.287 0.012 0.000 0.962 1329 K CB 0.474 33.016 32.500 0.069 0.000 1.008 1329 K HN 0.836 nan 8.250 nan 0.000 0.467 1330 I N 2.749 123.227 120.570 -0.153 0.000 3.427 1330 I HA 0.137 4.307 4.170 0.000 0.000 0.288 1330 I C 0.632 176.800 176.117 0.084 0.000 1.249 1330 I CA 0.557 61.843 61.300 -0.023 0.000 1.421 1330 I CB 0.365 38.146 38.000 -0.365 0.000 1.086 1330 I HN 0.870 nan 8.210 nan 0.000 0.448 1331 G N 0.679 109.491 108.800 0.021 0.000 2.356 1331 G HA2 0.344 4.304 3.960 0.000 0.000 0.281 1331 G HA3 0.344 4.304 3.960 0.000 0.000 0.281 1331 G C -1.558 173.349 174.900 0.012 0.000 1.246 1331 G CA -0.067 45.060 45.100 0.045 0.000 0.889 1331 G HN 0.186 nan 8.290 nan 0.000 0.486 1332 I N -2.488 118.093 120.570 0.018 0.000 3.279 1332 I HA 0.814 4.984 4.170 0.000 0.000 0.315 1332 I C -1.184 174.942 176.117 0.015 0.000 1.225 1332 I CA -1.320 59.986 61.300 0.011 0.000 0.947 1332 I CB 2.136 40.148 38.000 0.021 0.000 1.293 1332 I HN 0.537 nan 8.210 nan 0.000 0.468 1333 I N 2.284 122.863 120.570 0.015 0.000 2.389 1333 I HA 0.476 4.647 4.170 0.000 0.000 0.288 1333 I C -0.749 175.383 176.117 0.026 0.000 0.999 1333 I CA -0.570 60.743 61.300 0.021 0.000 1.129 1333 I CB 1.660 39.672 38.000 0.020 0.000 1.288 1333 I HN 0.734 nan 8.210 nan 0.000 0.444 1334 K N 5.559 125.977 120.400 0.028 0.000 2.328 1334 K HA 0.837 5.157 4.320 0.000 0.000 0.246 1334 K C -0.779 175.836 176.600 0.025 0.000 0.955 1334 K CA -0.814 55.489 56.287 0.027 0.000 0.817 1334 K CB 2.196 34.713 32.500 0.028 0.000 1.208 1334 K HN 0.486 nan 8.250 nan 0.000 0.432 1335 A N 1.266 124.099 122.820 0.022 0.000 2.492 1335 A HA 0.355 4.675 4.320 0.000 0.000 0.254 1335 A C -0.258 177.338 177.584 0.020 0.000 1.091 1335 A CA 0.127 52.176 52.037 0.019 0.000 0.768 1335 A CB -0.236 18.773 19.000 0.015 0.000 1.028 1335 A HN 0.703 nan 8.150 nan 0.000 0.498 1336 S N 1.252 116.964 115.700 0.021 0.000 2.560 1336 S HA 0.372 4.842 4.470 0.000 0.000 0.283 1336 S C -0.918 173.695 174.600 0.022 0.000 1.141 1336 S CA -0.143 58.071 58.200 0.022 0.000 0.902 1336 S CB 1.123 64.340 63.200 0.028 0.000 1.104 1336 S HN 0.838 nan 8.310 nan 0.000 0.454 1337 D N 2.303 122.714 120.400 0.018 0.000 2.460 1337 D HA 0.189 4.829 4.640 0.000 0.000 0.229 1337 D C 0.426 176.737 176.300 0.019 0.000 1.170 1337 D CA -0.206 53.804 54.000 0.017 0.000 0.827 1337 D CB 0.288 41.096 40.800 0.013 0.000 0.973 1337 D HN 0.239 nan 8.370 nan 0.000 0.496 1338 S N 0.190 115.904 115.700 0.024 0.000 2.576 1338 S HA 0.043 4.513 4.470 0.000 0.000 0.276 1338 S C 1.150 175.768 174.600 0.030 0.000 1.339 1338 S CA -0.369 57.846 58.200 0.026 0.000 1.039 1338 S CB 1.037 64.257 63.200 0.033 0.000 0.902 1338 S HN 0.072 nan 8.310 nan 0.000 0.516 1339 E N 2.306 122.521 120.200 0.025 0.000 2.385 1339 E HA 0.016 4.366 4.350 0.000 0.000 0.194 1339 E C 0.036 176.660 176.600 0.040 0.000 1.013 1339 E CA 0.461 56.877 56.400 0.027 0.000 0.866 1339 E CB 0.090 29.799 29.700 0.015 0.000 0.832 1339 E HN 0.680 nan 8.360 nan 0.000 0.500 1340 Q N 1.647 121.474 119.800 0.044 0.000 2.678 1340 Q HA 0.157 4.498 4.340 0.000 0.000 0.222 1340 Q C 0.768 176.831 176.000 0.105 0.000 1.281 1340 Q CA -0.324 55.519 55.803 0.068 0.000 0.994 1340 Q CB 0.577 29.345 28.738 0.051 0.000 1.452 1340 Q HN -0.106 nan 8.270 nan 0.000 0.570 1341 R N 0.079 120.650 120.500 0.117 0.000 2.200 1341 R HA -0.047 4.293 4.340 0.000 0.000 0.234 1341 R C 0.520 176.911 176.300 0.152 0.000 1.127 1341 R CA 0.545 56.717 56.100 0.119 0.000 0.989 1341 R CB -0.300 30.065 30.300 0.108 0.000 0.869 1341 R HN 0.215 nan 8.270 nan 0.000 0.459 1342 V N 0.615 120.674 119.914 0.240 0.000 2.656 1342 V HA 0.386 4.506 4.120 0.000 0.000 0.307 1342 V C -0.350 175.958 176.094 0.357 0.000 1.051 1342 V CA -0.911 61.556 62.300 0.278 0.000 0.893 1342 V CB 2.714 34.739 31.823 0.336 0.000 0.999 1342 V HN -0.277 nan 8.190 nan 0.000 0.426 1343 V N 5.391 125.448 119.914 0.239 0.000 2.482 1343 V HA 0.451 4.571 4.120 0.000 0.000 0.295 1343 V C -0.516 175.670 176.094 0.153 0.000 1.026 1343 V CA -0.385 62.047 62.300 0.221 0.000 0.856 1343 V CB 1.914 33.819 31.823 0.136 0.000 1.001 1343 V HN 0.662 nan 8.190 nan 0.000 0.424 1344 I N 5.222 125.891 120.570 0.165 0.000 2.287 1344 I HA 0.348 4.518 4.170 0.000 0.000 0.290 1344 I C 0.775 176.940 176.117 0.081 0.000 1.069 1344 I CA -0.146 61.180 61.300 0.044 0.000 1.237 1344 I CB 0.736 38.651 38.000 -0.142 0.000 1.418 1344 I HN 0.805 nan 8.210 nan 0.000 0.481 1345 E N 0.000 120.244 120.200 0.074 0.000 2.725 1345 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1345 E CA 0.000 56.434 56.400 0.057 0.000 0.976 1345 E CB 0.000 29.733 29.700 0.056 0.000 0.812 1345 E HN 0.000 nan 8.360 nan 0.000 0.440