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 1rxs_1_R DATA FIRST_RESID 1004 DATA SEQUENCE SDVFHLGLTK NDLQGATLAI VPGDPDRVEK IAALMDKPVK LASHREFTTW DATA SEQUENCE RAELDGKPVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APLEFPAVAD FECTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRHFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPXXXX MKQTESHAVK IVVEAARRLL 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 1004 S HA 0.000 nan 4.470 nan 0.000 0.327 1004 S C 0.000 174.596 174.600 -0.006 0.000 1.055 1004 S CA 0.000 58.189 58.200 -0.018 0.000 1.107 1004 S CB 0.000 63.168 63.200 -0.054 0.000 0.593 1005 D N 1.546 121.946 120.400 0.001 0.000 2.333 1005 D HA 0.151 4.791 4.640 -0.000 0.000 0.208 1005 D C 0.942 177.257 176.300 0.025 0.000 0.984 1005 D CA 1.246 55.254 54.000 0.013 0.000 0.873 1005 D CB 0.500 41.308 40.800 0.013 0.000 0.935 1005 D HN 0.573 nan 8.370 nan 0.000 0.521 1006 V N -2.128 117.798 119.914 0.019 0.000 2.914 1006 V HA 0.374 4.494 4.120 -0.000 0.000 0.314 1006 V C 0.781 176.897 176.094 0.036 0.000 1.084 1006 V CA -1.032 61.294 62.300 0.043 0.000 0.963 1006 V CB 1.813 33.655 31.823 0.032 0.000 1.025 1006 V HN -0.168 nan 8.190 nan 0.000 0.432 1007 F N 1.573 121.465 119.950 -0.098 0.000 2.186 1007 F HA 0.054 4.581 4.527 0.000 0.000 0.299 1007 F C 1.861 177.452 175.800 -0.348 0.000 1.090 1007 F CA 2.393 60.252 58.000 -0.234 0.000 1.307 1007 F CB -0.093 38.725 39.000 -0.304 0.000 1.019 1007 F HN 0.835 nan 8.300 nan 0.000 0.489 1008 H N -1.271 117.686 119.070 -0.188 0.000 2.460 1008 H HA 0.225 4.781 4.556 -0.000 0.000 0.297 1008 H C 2.091 177.307 175.328 -0.187 0.000 1.023 1008 H CA 0.985 56.882 56.048 -0.252 0.000 1.321 1008 H CB -0.197 29.470 29.762 -0.159 0.000 1.455 1008 H HN 0.113 nan 8.280 nan 0.000 0.539 1009 L N 0.006 121.187 121.223 -0.071 0.000 2.291 1009 L HA 0.081 4.421 4.340 -0.000 0.000 0.214 1009 L C 1.004 177.935 176.870 0.102 0.000 1.120 1009 L CA 0.661 55.505 54.840 0.007 0.000 0.799 1009 L CB -0.516 41.516 42.059 -0.045 0.000 0.925 1009 L HN 0.520 nan 8.230 nan 0.000 0.446 1010 G N 1.540 110.294 108.800 -0.078 0.000 2.350 1010 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.298 1010 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.298 1010 G C -0.232 174.695 174.900 0.045 0.000 1.037 1010 G CA 0.166 45.205 45.100 -0.102 0.000 1.074 1010 G HN 0.259 nan 8.290 nan 0.000 0.511 1011 L N -0.361 120.873 121.223 0.018 0.000 2.323 1011 L HA 0.872 5.212 4.340 -0.000 0.000 0.265 1011 L C 0.721 177.597 176.870 0.010 0.000 1.012 1011 L CA -0.630 54.224 54.840 0.024 0.000 0.820 1011 L CB 2.472 44.549 42.059 0.030 0.000 1.334 1011 L HN 0.390 nan 8.230 nan 0.000 0.427 1012 T N -3.216 111.343 114.554 0.008 0.000 2.912 1012 T HA 0.304 4.654 4.350 -0.000 0.000 0.288 1012 T C 0.559 175.263 174.700 0.006 0.000 1.030 1012 T CA -0.822 61.281 62.100 0.005 0.000 1.020 1012 T CB 2.166 71.035 68.868 0.001 0.000 1.056 1012 T HN 0.610 nan 8.240 nan 0.000 0.480 1013 K N 1.103 121.507 120.400 0.006 0.000 2.127 1013 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 1013 K C 2.130 178.731 176.600 0.001 0.000 1.047 1013 K CA 1.757 58.048 56.287 0.006 0.000 0.927 1013 K CB -0.244 32.260 32.500 0.006 0.000 0.716 1013 K HN 0.637 nan 8.250 nan 0.000 0.450 1014 N N 0.631 119.331 118.700 -0.000 0.000 2.104 1014 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 1014 N C 1.013 176.520 175.510 -0.005 0.000 1.024 1014 N CA 1.523 54.572 53.050 -0.003 0.000 0.853 1014 N CB -0.175 38.309 38.487 -0.004 0.000 1.008 1014 N HN 0.287 nan 8.380 nan 0.000 0.424 1015 D N 0.662 121.059 120.400 -0.006 0.000 2.228 1015 D HA -0.135 4.505 4.640 -0.000 0.000 0.203 1015 D C 1.706 178.001 176.300 -0.007 0.000 0.988 1015 D CA 0.615 54.609 54.000 -0.010 0.000 0.864 1015 D CB 0.012 40.806 40.800 -0.009 0.000 0.928 1015 D HN 0.231 nan 8.370 nan 0.000 0.469 1016 L N 0.381 121.602 121.223 -0.003 0.000 2.446 1016 L HA 0.035 4.375 4.340 -0.000 0.000 0.219 1016 L C 0.723 177.590 176.870 -0.005 0.000 1.116 1016 L CA 0.492 55.330 54.840 -0.003 0.000 0.844 1016 L CB -0.164 41.892 42.059 -0.004 0.000 0.970 1016 L HN -0.005 nan 8.230 nan 0.000 0.457 1017 Q N -0.348 119.449 119.800 -0.006 0.000 2.457 1017 Q HA -0.291 4.049 4.340 -0.000 0.000 0.283 1017 Q C 1.102 177.097 176.000 -0.008 0.000 1.234 1017 Q CA 0.541 56.340 55.803 -0.006 0.000 0.877 1017 Q CB -2.502 26.233 28.738 -0.005 0.000 1.250 1017 Q HN 0.610 nan 8.270 nan 0.000 0.481 1018 G N -1.648 107.146 108.800 -0.010 0.000 2.157 1018 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.248 1018 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.248 1018 G C 0.332 175.220 174.900 -0.020 0.000 0.979 1018 G CA 0.238 45.331 45.100 -0.012 0.000 0.650 1018 G HN 1.215 nan 8.290 nan 0.000 0.529 1019 A N 0.142 122.949 122.820 -0.022 0.000 2.531 1019 A HA 0.600 4.920 4.320 -0.000 0.000 0.236 1019 A C 1.470 179.021 177.584 -0.055 0.000 1.062 1019 A CA 1.898 53.913 52.037 -0.035 0.000 0.760 1019 A CB 0.242 19.224 19.000 -0.031 0.000 0.995 1019 A HN 1.730 nan 8.150 nan 0.000 0.501 1020 T N -0.303 114.205 114.554 -0.075 0.000 3.087 1020 T HA 0.400 4.750 4.350 -0.000 0.000 0.283 1020 T C 0.003 174.599 174.700 -0.174 0.000 0.956 1020 T CA 0.067 62.103 62.100 -0.107 0.000 0.894 1020 T CB -0.561 68.264 68.868 -0.071 0.000 1.160 1020 T HN 0.590 nan 8.240 nan 0.000 0.532 1021 L N 1.635 122.760 121.223 -0.163 0.000 2.362 1021 L HA 0.899 5.239 4.340 -0.000 0.000 0.271 1021 L C -1.430 175.319 176.870 -0.202 0.000 1.002 1021 L CA -0.938 53.781 54.840 -0.201 0.000 0.818 1021 L CB 1.897 43.885 42.059 -0.117 0.000 1.298 1021 L HN 0.238 nan 8.230 nan 0.000 0.420 1022 A N 5.459 128.117 122.820 -0.270 0.000 2.393 1022 A HA 0.698 5.018 4.320 -0.000 0.000 0.306 1022 A C -1.119 176.440 177.584 -0.042 0.000 1.050 1022 A CA -0.522 51.428 52.037 -0.144 0.000 0.724 1022 A CB 1.195 20.099 19.000 -0.159 0.000 1.248 1022 A HN 0.658 nan 8.150 nan 0.000 0.424 1023 I N 2.589 123.165 120.570 0.011 0.000 2.315 1023 I HA 0.365 4.535 4.170 -0.000 0.000 0.291 1023 I C -0.153 176.010 176.117 0.077 0.000 1.006 1023 I CA -0.656 60.668 61.300 0.040 0.000 1.265 1023 I CB 1.717 39.729 38.000 0.020 0.000 1.387 1023 I HN 0.459 nan 8.210 nan 0.000 0.475 1024 V N 5.913 125.889 119.914 0.103 0.000 2.250 1024 V HA 0.502 4.622 4.120 -0.000 0.000 0.268 1024 V C -2.471 173.672 176.094 0.082 0.000 1.043 1024 V CA -1.915 60.458 62.300 0.120 0.000 0.814 1024 V CB 0.255 32.185 31.823 0.178 0.000 1.072 1024 V HN 0.454 nan 8.190 nan 0.000 0.451 1025 P HA 0.311 nan 4.420 nan 0.000 0.277 1025 P C 0.935 178.262 177.300 0.045 0.000 1.271 1025 P CA 0.268 63.392 63.100 0.040 0.000 0.795 1025 P CB 1.661 33.373 31.700 0.021 0.000 1.101 1026 G N -0.726 108.090 108.800 0.026 0.000 2.459 1026 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.213 1026 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.213 1026 G C 0.195 175.097 174.900 0.002 0.000 1.155 1026 G CA 0.393 45.505 45.100 0.019 0.000 0.811 1026 G HN 0.518 nan 8.290 nan 0.000 0.534 1027 D N 0.322 120.719 120.400 -0.005 0.000 2.274 1027 D HA 0.285 4.925 4.640 -0.000 0.000 0.239 1027 D C -1.217 175.077 176.300 -0.009 0.000 1.104 1027 D CA -2.545 51.443 54.000 -0.020 0.000 0.840 1027 D CB 2.208 42.992 40.800 -0.027 0.000 1.100 1027 D HN -0.064 nan 8.370 nan 0.000 0.477 1028 P HA -0.148 nan 4.420 nan 0.000 0.216 1028 P C 0.546 177.852 177.300 0.009 0.000 1.150 1028 P CA 1.004 64.114 63.100 0.015 0.000 0.843 1028 P CB 0.400 32.100 31.700 0.001 0.000 0.787 1029 D N -1.135 119.257 120.400 -0.014 0.000 2.312 1029 D HA -0.088 4.552 4.640 -0.000 0.000 0.211 1029 D C 1.967 178.233 176.300 -0.056 0.000 0.964 1029 D CA 0.568 54.553 54.000 -0.026 0.000 0.877 1029 D CB -0.184 40.600 40.800 -0.027 0.000 0.924 1029 D HN 0.201 nan 8.370 nan 0.000 0.515 1030 R N 0.606 121.074 120.500 -0.054 0.000 2.280 1030 R HA 0.036 4.376 4.340 -0.000 0.000 0.195 1030 R C 1.940 178.173 176.300 -0.111 0.000 0.935 1030 R CA 0.047 56.103 56.100 -0.072 0.000 1.033 1030 R CB 0.309 30.583 30.300 -0.045 0.000 0.964 1030 R HN 0.004 nan 8.270 nan 0.000 0.489 1031 V N 1.022 120.871 119.914 -0.108 0.000 2.261 1031 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 1031 V C 2.322 178.176 176.094 -0.400 0.000 1.047 1031 V CA 2.103 64.320 62.300 -0.138 0.000 1.015 1031 V CB -0.425 31.398 31.823 -0.001 0.000 0.642 1031 V HN 0.417 nan 8.190 nan 0.000 0.446 1032 E N 0.248 120.065 120.200 -0.637 0.000 2.118 1032 E HA -0.292 4.058 4.350 -0.000 0.000 0.195 1032 E C 2.203 178.416 176.600 -0.646 0.000 0.992 1032 E CA 1.559 57.280 56.400 -1.132 0.000 0.804 1032 E CB -0.051 29.086 29.700 -0.940 0.000 0.741 1032 E HN 0.578 nan 8.360 nan 0.000 0.458 1033 K N 0.258 120.442 120.400 -0.361 0.000 2.032 1033 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 1033 K C 2.158 178.641 176.600 -0.194 0.000 1.048 1033 K CA 1.710 57.862 56.287 -0.227 0.000 0.927 1033 K CB -0.148 32.267 32.500 -0.142 0.000 0.712 1033 K HN 0.203 nan 8.250 nan 0.000 0.441 1034 I N 0.738 121.199 120.570 -0.182 0.000 2.142 1034 I HA -0.288 3.882 4.170 -0.000 0.000 0.240 1034 I C 2.440 178.478 176.117 -0.130 0.000 1.078 1034 I CA 1.238 62.463 61.300 -0.124 0.000 1.343 1034 I CB -0.405 37.545 38.000 -0.084 0.000 1.046 1034 I HN 0.165 nan 8.210 nan 0.000 0.405 1035 A N 0.729 123.430 122.820 -0.198 0.000 1.940 1035 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 1035 A C 2.470 179.987 177.584 -0.111 0.000 1.176 1035 A CA 1.910 53.869 52.037 -0.130 0.000 0.631 1035 A CB -0.856 18.048 19.000 -0.159 0.000 0.814 1035 A HN 0.459 nan 8.150 nan 0.000 0.446 1036 A N -1.109 121.595 122.820 -0.192 0.000 2.121 1036 A HA 0.105 4.425 4.320 -0.000 0.000 0.218 1036 A C 1.686 179.231 177.584 -0.065 0.000 1.154 1036 A CA 1.194 53.157 52.037 -0.124 0.000 0.679 1036 A CB -0.333 18.570 19.000 -0.162 0.000 0.795 1036 A HN 0.366 nan 8.150 nan 0.000 0.458 1037 L N -1.042 120.142 121.223 -0.065 0.000 2.551 1037 L HA 0.183 4.523 4.340 -0.000 0.000 0.228 1037 L C 1.034 177.890 176.870 -0.023 0.000 1.153 1037 L CA 1.003 55.819 54.840 -0.040 0.000 0.851 1037 L CB -1.004 41.030 42.059 -0.041 0.000 0.959 1037 L HN 0.422 nan 8.230 nan 0.000 0.451 1038 M N -1.828 117.763 119.600 -0.015 0.000 2.852 1038 M HA 0.295 4.776 4.480 -0.000 0.000 0.301 1038 M C -0.410 175.899 176.300 0.016 0.000 1.229 1038 M CA -0.858 54.443 55.300 0.001 0.000 0.832 1038 M CB 1.274 33.878 32.600 0.007 0.000 1.726 1038 M HN -0.173 nan 8.290 nan 0.000 0.497 1039 D N 1.036 121.449 120.400 0.020 0.000 2.264 1039 D HA 0.187 4.827 4.640 -0.000 0.000 0.249 1039 D C -0.513 175.814 176.300 0.045 0.000 1.070 1039 D CA -0.134 53.883 54.000 0.027 0.000 0.912 1039 D CB 0.817 41.628 40.800 0.018 0.000 1.193 1039 D HN 0.475 nan 8.370 nan 0.000 0.427 1040 K N -0.404 120.026 120.400 0.051 0.000 3.278 1040 K HA -0.134 4.186 4.320 -0.000 0.000 0.270 1040 K C -2.329 174.332 176.600 0.102 0.000 0.955 1040 K CA 0.077 56.401 56.287 0.062 0.000 0.723 1040 K CB -1.363 31.161 32.500 0.040 0.000 1.382 1040 K HN 0.380 nan 8.250 nan 0.000 0.461 1041 P HA 0.115 nan 4.420 nan 0.000 0.271 1041 P C -0.372 177.135 177.300 0.345 0.000 1.220 1041 P CA -0.029 63.257 63.100 0.309 0.000 0.768 1041 P CB 1.262 33.149 31.700 0.313 0.000 0.848 1042 V N 3.979 124.032 119.914 0.232 0.000 2.623 1042 V HA 0.245 4.365 4.120 -0.000 0.000 0.304 1042 V C 0.342 176.019 176.094 -0.695 0.000 1.054 1042 V CA -0.940 61.246 62.300 -0.190 0.000 0.882 1042 V CB 2.103 33.861 31.823 -0.108 0.000 1.002 1042 V HN 0.489 nan 8.190 nan 0.000 0.424 1043 K N 3.722 123.224 120.400 -1.497 0.000 2.416 1043 K HA 0.351 4.671 4.320 -0.000 0.000 0.283 1043 K C 0.368 176.573 176.600 -0.658 0.000 1.037 1043 K CA -0.052 55.266 56.287 -1.616 0.000 0.995 1043 K CB 0.675 32.326 32.500 -1.416 0.000 0.938 1043 K HN 0.660 nan 8.250 nan 0.000 0.475 1044 L N 2.769 123.733 121.223 -0.432 0.000 2.269 1044 L HA 0.305 4.645 4.340 -0.000 0.000 0.200 1044 L C 0.534 177.319 176.870 -0.140 0.000 1.069 1044 L CA 0.310 55.031 54.840 -0.199 0.000 0.804 1044 L CB 0.219 42.224 42.059 -0.090 0.000 0.987 1044 L HN 0.809 nan 8.230 nan 0.000 0.468 1045 A N -1.302 121.444 122.820 -0.124 0.000 2.586 1045 A HA 0.607 4.927 4.320 -0.000 0.000 0.291 1045 A C -1.189 176.335 177.584 -0.099 0.000 1.062 1045 A CA -0.288 51.697 52.037 -0.086 0.000 0.666 1045 A CB 1.631 20.672 19.000 0.068 0.000 1.281 1045 A HN -0.158 nan 8.150 nan 0.000 0.421 1046 S N 0.548 116.075 115.700 -0.288 0.000 2.614 1046 S HA 0.627 5.097 4.470 -0.000 0.000 0.259 1046 S C -1.825 172.474 174.600 -0.503 0.000 1.118 1046 S CA -0.463 57.604 58.200 -0.222 0.000 1.065 1046 S CB 0.293 63.408 63.200 -0.141 0.000 1.121 1046 S HN 0.765 nan 8.310 nan 0.000 0.458 1047 H N 3.345 122.477 119.070 0.103 0.000 2.856 1047 H HA 0.504 5.060 4.556 -0.000 0.000 0.355 1047 H C 0.503 175.895 175.328 0.105 0.000 1.079 1047 H CA -0.524 55.581 56.048 0.095 0.000 1.240 1047 H CB 1.567 31.391 29.762 0.104 0.000 1.701 1047 H HN 0.750 nan 8.280 nan 0.000 0.527 1048 R N 0.498 121.071 120.500 0.122 0.000 3.750 1048 R HA -0.244 4.096 4.340 -0.000 0.000 0.495 1048 R C 1.173 177.367 176.300 -0.176 0.000 0.241 1048 R CA 1.933 58.011 56.100 -0.036 0.000 1.551 1048 R CB -0.706 29.569 30.300 -0.042 0.000 0.956 1048 R HN 0.767 nan 8.270 nan 0.000 0.584 1049 E N 2.008 121.919 120.200 -0.483 0.000 2.494 1049 E HA -0.012 4.338 4.350 -0.000 0.000 0.193 1049 E C -0.139 176.225 176.600 -0.394 0.000 1.074 1049 E CA 0.711 56.835 56.400 -0.460 0.000 0.867 1049 E CB 0.040 29.435 29.700 -0.508 0.000 0.924 1049 E HN 0.379 nan 8.360 nan 0.000 0.502 1050 F N 1.608 121.596 119.950 0.063 0.000 2.303 1050 F HA 0.305 4.832 4.527 -0.000 0.000 0.368 1050 F C 0.235 176.084 175.800 0.082 0.000 1.105 1050 F CA -0.713 57.334 58.000 0.079 0.000 1.153 1050 F CB 1.465 40.526 39.000 0.101 0.000 1.362 1050 F HN -0.317 nan 8.300 nan 0.000 0.511 1051 T N 1.869 116.560 114.554 0.228 0.000 2.794 1051 T HA 0.461 4.811 4.350 -0.000 0.000 0.280 1051 T C -0.145 174.704 174.700 0.249 0.000 0.987 1051 T CA -0.503 61.718 62.100 0.202 0.000 0.993 1051 T CB 1.308 70.288 68.868 0.186 0.000 0.939 1051 T HN 0.388 nan 8.240 nan 0.000 0.449 1052 T N 3.437 118.126 114.554 0.225 0.000 2.840 1052 T HA 0.468 4.818 4.350 -0.000 0.000 0.287 1052 T C -1.172 173.652 174.700 0.206 0.000 0.991 1052 T CA -0.626 61.601 62.100 0.211 0.000 0.964 1052 T CB 0.665 69.611 68.868 0.130 0.000 0.954 1052 T HN 0.451 nan 8.240 nan 0.000 0.438 1053 W N 1.915 123.230 121.300 0.026 0.000 2.706 1053 W HA 0.675 5.335 4.660 -0.000 0.000 0.346 1053 W C 0.244 176.769 176.519 0.010 0.000 1.071 1053 W CA -1.075 56.278 57.345 0.014 0.000 1.206 1053 W CB 1.297 30.762 29.460 0.010 0.000 1.413 1053 W HN 0.377 nan 8.180 nan 0.000 0.542 1054 R N 1.626 122.242 120.500 0.194 0.000 2.637 1054 R HA 0.880 5.220 4.340 -0.000 0.000 0.291 1054 R C -0.688 175.703 176.300 0.152 0.000 0.963 1054 R CA -0.337 55.836 56.100 0.122 0.000 0.901 1054 R CB 1.533 31.861 30.300 0.046 0.000 1.160 1054 R HN 0.660 nan 8.270 nan 0.000 0.457 1055 A N 2.498 125.382 122.820 0.107 0.000 2.535 1055 A HA 0.530 4.850 4.320 -0.000 0.000 0.296 1055 A C -1.575 176.038 177.584 0.049 0.000 1.248 1055 A CA -0.665 51.427 52.037 0.092 0.000 0.686 1055 A CB 1.756 20.813 19.000 0.095 0.000 1.315 1055 A HN 0.696 nan 8.150 nan 0.000 0.460 1056 E N -0.723 119.500 120.200 0.037 0.000 2.292 1056 E HA 0.572 4.922 4.350 -0.000 0.000 0.272 1056 E C -2.294 174.313 176.600 0.011 0.000 0.881 1056 E CA -0.581 55.831 56.400 0.020 0.000 0.754 1056 E CB 2.220 31.931 29.700 0.018 0.000 1.201 1056 E HN 0.424 nan 8.360 nan 0.000 0.425 1057 L N 3.886 125.111 121.223 0.003 0.000 2.439 1057 L HA 0.314 4.654 4.340 -0.000 0.000 0.270 1057 L C -1.279 175.588 176.870 -0.006 0.000 0.972 1057 L CA -0.206 54.633 54.840 -0.003 0.000 0.836 1057 L CB 1.557 43.611 42.059 -0.007 0.000 1.255 1057 L HN 0.568 nan 8.230 nan 0.000 0.404 1058 D N 4.570 124.966 120.400 -0.006 0.000 2.720 1058 D HA -0.203 4.437 4.640 -0.000 0.000 0.229 1058 D C 1.228 177.525 176.300 -0.005 0.000 1.198 1058 D CA 1.509 55.505 54.000 -0.006 0.000 0.639 1058 D CB -0.863 39.932 40.800 -0.009 0.000 1.003 1058 D HN 1.162 nan 8.370 nan 0.000 0.411 1059 G N -0.471 108.328 108.800 -0.002 0.000 2.180 1059 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.263 1059 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.263 1059 G C 0.262 175.161 174.900 -0.002 0.000 0.989 1059 G CA 0.898 45.997 45.100 -0.001 0.000 0.692 1059 G HN 0.498 nan 8.290 nan 0.000 0.526 1060 K N 0.861 121.259 120.400 -0.004 0.000 2.207 1060 K HA 0.444 4.764 4.320 -0.000 0.000 0.255 1060 K C -2.634 173.964 176.600 -0.004 0.000 0.941 1060 K CA -1.993 54.290 56.287 -0.006 0.000 0.825 1060 K CB 2.711 35.204 32.500 -0.011 0.000 1.119 1060 K HN 0.013 nan 8.250 nan 0.000 0.430 1061 P HA 0.123 nan 4.420 nan 0.000 0.271 1061 P C -0.595 176.701 177.300 -0.007 0.000 1.216 1061 P CA -0.271 62.828 63.100 -0.001 0.000 0.771 1061 P CB 0.863 32.561 31.700 -0.003 0.000 0.864 1062 V N 4.635 124.550 119.914 0.002 0.000 2.841 1062 V HA 0.363 4.483 4.120 -0.000 0.000 0.310 1062 V C 0.065 176.168 176.094 0.015 0.000 1.090 1062 V CA -0.813 61.484 62.300 -0.005 0.000 0.930 1062 V CB 2.476 34.296 31.823 -0.005 0.000 1.014 1062 V HN 0.395 nan 8.190 nan 0.000 0.425 1063 I N 3.906 124.477 120.570 0.002 0.000 2.437 1063 I HA 0.517 4.687 4.170 -0.000 0.000 0.298 1063 I C -0.302 175.847 176.117 0.053 0.000 0.984 1063 I CA -0.502 60.819 61.300 0.035 0.000 1.214 1063 I CB 1.909 39.918 38.000 0.014 0.000 1.365 1063 I HN 0.242 nan 8.210 nan 0.000 0.469 1064 V N 5.394 125.371 119.914 0.105 0.000 2.444 1064 V HA 0.439 4.559 4.120 -0.000 0.000 0.294 1064 V C -0.460 175.722 176.094 0.147 0.000 1.022 1064 V CA -0.473 61.890 62.300 0.105 0.000 0.850 1064 V CB 2.053 33.924 31.823 0.080 0.000 0.992 1064 V HN 0.899 nan 8.190 nan 0.000 0.426 1065 C N 4.955 124.337 119.300 0.136 0.000 2.642 1065 C HA 0.704 5.164 4.460 -0.000 0.000 0.344 1065 C C 0.388 175.480 174.990 0.171 0.000 1.110 1065 C CA -0.395 58.724 59.018 0.170 0.000 1.298 1065 C CB 1.186 29.026 27.740 0.167 0.000 1.827 1065 C HN 1.032 nan 8.230 nan 0.000 0.467 1066 S N 3.178 118.991 115.700 0.189 0.000 2.584 1066 S HA 0.451 4.921 4.470 -0.000 0.000 0.273 1066 S C 0.867 175.609 174.600 0.238 0.000 1.311 1066 S CA 0.338 58.633 58.200 0.158 0.000 1.034 1066 S CB 1.411 64.671 63.200 0.099 0.000 0.939 1066 S HN 1.023 nan 8.310 nan 0.000 0.513 1067 T N -1.273 113.381 114.554 0.167 0.000 3.014 1067 T HA 0.521 4.871 4.350 -0.000 0.000 0.250 1067 T C 1.220 175.982 174.700 0.104 0.000 1.060 1067 T CA 0.266 62.493 62.100 0.212 0.000 1.040 1067 T CB -0.913 68.029 68.868 0.123 0.000 0.971 1067 T HN 1.860 nan 8.240 nan 0.000 0.497 1068 G N 1.607 110.396 108.800 -0.019 0.000 2.750 1068 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.228 1068 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.228 1068 G C -0.576 174.300 174.900 -0.039 0.000 1.367 1068 G CA -0.452 44.591 45.100 -0.095 0.000 0.871 1068 G HN 0.640 nan 8.290 nan 0.000 0.560 1069 I N 2.211 122.749 120.570 -0.053 0.000 2.371 1069 I HA 0.536 4.706 4.170 -0.000 0.000 0.290 1069 I C 1.079 177.189 176.117 -0.013 0.000 1.028 1069 I CA 1.027 62.309 61.300 -0.029 0.000 1.345 1069 I CB 0.685 38.659 38.000 -0.043 0.000 1.407 1069 I HN 1.997 nan 8.210 nan 0.000 0.501 1070 G N 3.900 112.702 108.800 0.003 0.000 2.662 1070 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.686 1070 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.686 1070 G C 0.549 175.457 174.900 0.013 0.000 1.271 1070 G CA -0.477 44.628 45.100 0.008 0.000 0.816 1070 G HN 0.926 nan 8.290 nan 0.000 0.608 1071 G N 0.489 109.294 108.800 0.009 0.000 2.491 1071 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.218 1071 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.218 1071 G C 0.164 175.072 174.900 0.014 0.000 1.180 1071 G CA 2.285 47.390 45.100 0.008 0.000 0.774 1071 G HN 0.713 nan 8.290 nan 0.000 0.562 1072 P HA -0.122 nan 4.420 nan 0.000 0.214 1072 P C 2.481 179.808 177.300 0.046 0.000 1.163 1072 P CA 2.504 65.606 63.100 0.003 0.000 0.883 1072 P CB -0.255 31.441 31.700 -0.007 0.000 0.788 1073 S N -2.232 113.510 115.700 0.070 0.000 2.406 1073 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 1073 S C 1.932 176.669 174.600 0.228 0.000 1.020 1073 S CA 1.615 59.925 58.200 0.184 0.000 0.965 1073 S CB -1.914 61.348 63.200 0.104 0.000 0.798 1073 S HN 0.070 nan 8.310 nan 0.000 0.488 1074 T N 3.270 117.893 114.554 0.116 0.000 2.635 1074 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 1074 T C 2.317 177.020 174.700 0.005 0.000 1.040 1074 T CA 2.159 64.298 62.100 0.066 0.000 1.156 1074 T CB -0.913 67.963 68.868 0.012 0.000 0.863 1074 T HN 0.800 nan 8.240 nan 0.000 0.430 1075 S N 1.213 116.920 115.700 0.011 0.000 2.400 1075 S HA -0.085 4.385 4.470 -0.000 0.000 0.232 1075 S C 2.060 176.662 174.600 0.003 0.000 1.025 1075 S CA 0.991 59.202 58.200 0.018 0.000 0.993 1075 S CB -0.817 62.486 63.200 0.172 0.000 0.808 1075 S HN 0.535 nan 8.310 nan 0.000 0.478 1076 I N 1.873 122.430 120.570 -0.021 0.000 2.233 1076 I HA -0.060 4.110 4.170 -0.000 0.000 0.243 1076 I C 3.125 179.106 176.117 -0.227 0.000 1.093 1076 I CA 0.978 62.196 61.300 -0.136 0.000 1.380 1076 I CB -0.766 37.069 38.000 -0.275 0.000 1.067 1076 I HN 0.436 nan 8.210 nan 0.000 0.413 1077 A N 0.676 123.349 122.820 -0.245 0.000 1.865 1077 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 1077 A C 2.428 179.969 177.584 -0.071 0.000 1.191 1077 A CA 1.980 53.892 52.037 -0.208 0.000 0.623 1077 A CB -1.056 17.942 19.000 -0.004 0.000 0.826 1077 A HN 0.232 nan 8.150 nan 0.000 0.444 1078 V N 0.247 120.084 119.914 -0.128 0.000 2.295 1078 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 1078 V C 2.649 178.664 176.094 -0.132 0.000 1.049 1078 V CA 2.529 64.653 62.300 -0.292 0.000 1.024 1078 V CB -0.842 30.613 31.823 -0.614 0.000 0.648 1078 V HN 0.781 nan 8.190 nan 0.000 0.447 1079 E N 0.841 120.985 120.200 -0.093 0.000 2.058 1079 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 1079 E C 2.065 178.688 176.600 0.038 0.000 0.997 1079 E CA 2.090 58.486 56.400 -0.006 0.000 0.801 1079 E CB -0.299 29.431 29.700 0.050 0.000 0.746 1079 E HN 0.688 nan 8.360 nan 0.000 0.450 1080 E N -0.274 119.937 120.200 0.018 0.000 2.112 1080 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 1080 E C 2.270 178.906 176.600 0.060 0.000 0.979 1080 E CA 0.793 57.213 56.400 0.032 0.000 0.814 1080 E CB -0.088 29.608 29.700 -0.006 0.000 0.762 1080 E HN 0.289 nan 8.360 nan 0.000 0.460 1081 L N 0.754 122.037 121.223 0.100 0.000 2.046 1081 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 1081 L C 2.616 179.594 176.870 0.180 0.000 1.077 1081 L CA 1.040 55.974 54.840 0.156 0.000 0.747 1081 L CB -0.495 41.735 42.059 0.285 0.000 0.896 1081 L HN 0.148 nan 8.230 nan 0.000 0.432 1082 A N -0.416 122.563 122.820 0.265 0.000 1.892 1082 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 1082 A C 2.198 179.847 177.584 0.108 0.000 1.188 1082 A CA 1.874 54.041 52.037 0.216 0.000 0.631 1082 A CB -0.608 18.506 19.000 0.190 0.000 0.822 1082 A HN 0.502 nan 8.150 nan 0.000 0.447 1083 Q N -0.797 119.053 119.800 0.083 0.000 2.181 1083 Q HA -0.102 4.238 4.340 -0.000 0.000 0.205 1083 Q C 1.627 177.654 176.000 0.045 0.000 0.980 1083 Q CA 1.347 57.184 55.803 0.057 0.000 0.862 1083 Q CB -0.277 28.492 28.738 0.052 0.000 0.905 1083 Q HN 0.707 nan 8.270 nan 0.000 0.429 1084 L N -1.609 119.642 121.223 0.046 0.000 2.592 1084 L HA 0.184 4.524 4.340 -0.000 0.000 0.227 1084 L C 1.123 178.003 176.870 0.017 0.000 1.127 1084 L CA 0.446 55.303 54.840 0.028 0.000 0.884 1084 L CB 0.437 42.511 42.059 0.026 0.000 1.065 1084 L HN 0.381 nan 8.230 nan 0.000 0.457 1085 G N -0.346 108.466 108.800 0.021 0.000 2.205 1085 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.180 1085 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.180 1085 G C 0.188 175.070 174.900 -0.030 0.000 1.004 1085 G CA -0.740 44.361 45.100 0.002 0.000 0.670 1085 G HN 0.041 nan 8.290 nan 0.000 0.496 1086 I N 1.144 121.682 120.570 -0.053 0.000 2.556 1086 I HA 0.348 4.518 4.170 -0.000 0.000 0.284 1086 I C 1.246 177.249 176.117 -0.190 0.000 1.114 1086 I CA 0.214 61.387 61.300 -0.211 0.000 1.418 1086 I CB 1.031 38.794 38.000 -0.395 0.000 1.394 1086 I HN 0.089 nan 8.210 nan 0.000 0.552 1087 R N 2.814 123.173 120.500 -0.235 0.000 2.521 1087 R HA 0.199 4.539 4.340 -0.000 0.000 0.289 1087 R C -0.285 175.961 176.300 -0.089 0.000 0.936 1087 R CA 0.149 56.206 56.100 -0.071 0.000 1.089 1087 R CB 0.721 31.007 30.300 -0.024 0.000 1.348 1087 R HN 0.530 nan 8.270 nan 0.000 0.536 1088 T N 1.242 115.612 114.554 -0.306 0.000 2.879 1088 T HA 0.557 4.907 4.350 -0.000 0.000 0.290 1088 T C -1.081 173.388 174.700 -0.386 0.000 0.993 1088 T CA -0.289 61.703 62.100 -0.180 0.000 0.975 1088 T CB 1.194 69.995 68.868 -0.111 0.000 0.981 1088 T HN -0.142 nan 8.240 nan 0.000 0.439 1089 F N 2.979 122.926 119.950 -0.006 0.000 2.449 1089 F HA 0.550 5.077 4.527 0.000 0.000 0.342 1089 F C -0.143 175.654 175.800 -0.005 0.000 1.127 1089 F CA -1.022 56.974 58.000 -0.005 0.000 0.975 1089 F CB 1.217 40.209 39.000 -0.013 0.000 1.146 1089 F HN 0.196 nan 8.300 nan 0.000 0.444 1090 L N 4.214 125.514 121.223 0.129 0.000 2.298 1090 L HA 0.532 4.872 4.340 -0.000 0.000 0.284 1090 L C -0.077 176.844 176.870 0.085 0.000 1.013 1090 L CA -0.789 54.100 54.840 0.082 0.000 0.824 1090 L CB 1.686 43.764 42.059 0.032 0.000 1.221 1090 L HN 0.556 nan 8.230 nan 0.000 0.418 1091 R N 3.323 123.867 120.500 0.074 0.000 2.308 1091 R HA 0.533 4.873 4.340 -0.000 0.000 0.305 1091 R C -0.945 175.378 176.300 0.038 0.000 1.053 1091 R CA -0.363 55.772 56.100 0.059 0.000 0.957 1091 R CB 1.058 31.386 30.300 0.047 0.000 1.022 1091 R HN 0.533 nan 8.270 nan 0.000 0.461 1092 I N 3.853 124.444 120.570 0.035 0.000 2.418 1092 I HA 0.686 4.856 4.170 -0.000 0.000 0.287 1092 I C -0.682 175.448 176.117 0.022 0.000 1.008 1092 I CA -0.136 61.178 61.300 0.024 0.000 1.104 1092 I CB 1.780 39.791 38.000 0.017 0.000 1.264 1092 I HN 0.738 nan 8.210 nan 0.000 0.438 1093 G N 4.007 112.819 108.800 0.021 0.000 2.798 1093 G HA2 0.698 4.658 3.960 -0.000 0.000 0.286 1093 G HA3 0.698 4.658 3.960 -0.000 0.000 0.286 1093 G C -1.143 173.769 174.900 0.019 0.000 1.389 1093 G CA -0.337 44.775 45.100 0.020 0.000 0.894 1093 G HN 0.664 nan 8.290 nan 0.000 0.488 1094 T N -2.687 111.879 114.554 0.021 0.000 2.918 1094 T HA 0.753 5.103 4.350 -0.000 0.000 0.286 1094 T C -0.327 174.393 174.700 0.033 0.000 1.026 1094 T CA -0.569 61.545 62.100 0.023 0.000 1.031 1094 T CB 2.058 70.938 68.868 0.020 0.000 1.046 1094 T HN 0.923 nan 8.240 nan 0.000 0.479 1095 T N -0.069 114.503 114.554 0.030 0.000 2.821 1095 T HA 0.687 5.037 4.350 -0.000 0.000 0.306 1095 T C -0.737 173.979 174.700 0.026 0.000 1.313 1095 T CA -0.404 61.716 62.100 0.033 0.000 1.012 1095 T CB 1.402 70.283 68.868 0.021 0.000 1.298 1095 T HN 1.189 nan 8.240 nan 0.000 0.502 1096 G N 1.292 110.109 108.800 0.028 0.000 2.422 1096 G HA2 0.675 4.635 3.960 -0.000 0.000 0.317 1096 G HA3 0.675 4.635 3.960 -0.000 0.000 0.317 1096 G C -0.110 174.791 174.900 0.001 0.000 1.210 1096 G CA -0.202 44.907 45.100 0.015 0.000 0.930 1096 G HN 0.978 nan 8.290 nan 0.000 0.468 1097 A N 2.092 124.891 122.820 -0.035 0.000 2.351 1097 A HA 0.566 4.886 4.320 -0.000 0.000 0.257 1097 A C 1.114 178.655 177.584 -0.071 0.000 1.087 1097 A CA -0.396 51.590 52.037 -0.085 0.000 0.798 1097 A CB 0.267 19.186 19.000 -0.135 0.000 1.033 1097 A HN 1.289 nan 8.150 nan 0.000 0.488 1098 I N -2.407 118.100 120.570 -0.104 0.000 4.154 1098 I HA 0.248 4.418 4.170 -0.000 0.000 0.334 1098 I C -0.291 175.780 176.117 -0.076 0.000 1.371 1098 I CA -0.283 60.976 61.300 -0.068 0.000 1.110 1098 I CB 0.188 38.141 38.000 -0.079 0.000 1.085 1098 I HN 0.326 nan 8.210 nan 0.000 0.398 1099 Q N 2.877 122.589 119.800 -0.148 0.000 2.256 1099 Q HA 0.390 4.730 4.340 -0.000 0.000 0.257 1099 Q C -1.850 174.037 176.000 -0.187 0.000 0.936 1099 Q CA -2.069 53.639 55.803 -0.159 0.000 0.903 1099 Q CB 1.978 30.540 28.738 -0.295 0.000 1.263 1099 Q HN 0.051 nan 8.270 nan 0.000 0.440 1100 P HA -0.150 nan 4.420 nan 0.000 0.223 1100 P C 0.802 178.091 177.300 -0.018 0.000 1.151 1100 P CA 1.349 64.436 63.100 -0.023 0.000 0.787 1100 P CB 0.132 31.852 31.700 0.034 0.000 0.788 1101 H N -1.021 118.020 119.070 -0.049 0.000 2.548 1101 H HA 0.178 4.734 4.556 -0.000 0.000 0.268 1101 H C 0.677 175.964 175.328 -0.068 0.000 0.975 1101 H CA -0.168 55.859 56.048 -0.035 0.000 1.195 1101 H CB -0.654 29.101 29.762 -0.012 0.000 1.397 1101 H HN 0.124 nan 8.280 nan 0.000 0.572 1102 I N 2.894 123.127 120.570 -0.562 0.000 2.352 1102 I HA 0.076 4.246 4.170 -0.000 0.000 0.290 1102 I C -0.288 175.729 176.117 -0.167 0.000 1.036 1102 I CA -0.175 60.842 61.300 -0.472 0.000 1.336 1102 I CB 0.765 38.376 38.000 -0.649 0.000 1.407 1102 I HN 0.157 nan 8.210 nan 0.000 0.497 1103 N N 4.164 122.842 118.700 -0.036 0.000 2.472 1103 N HA 0.391 5.131 4.740 -0.000 0.000 0.289 1103 N C -0.873 174.633 175.510 -0.006 0.000 1.156 1103 N CA -0.865 52.179 53.050 -0.010 0.000 0.940 1103 N CB 1.754 40.254 38.487 0.021 0.000 1.200 1103 N HN 0.216 nan 8.380 nan 0.000 0.511 1104 V N 1.274 121.180 119.914 -0.012 0.000 2.557 1104 V HA 0.222 4.342 4.120 -0.000 0.000 0.301 1104 V C 1.410 177.493 176.094 -0.018 0.000 1.026 1104 V CA 1.289 63.581 62.300 -0.014 0.000 1.137 1104 V CB -0.205 31.609 31.823 -0.014 0.000 0.917 1104 V HN 1.106 nan 8.190 nan 0.000 0.484 1105 G N 3.722 112.508 108.800 -0.025 0.000 2.284 1105 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.216 1105 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.216 1105 G C -0.061 174.832 174.900 -0.012 0.000 1.009 1105 G CA -0.050 45.018 45.100 -0.053 0.000 0.625 1105 G HN 0.666 nan 8.290 nan 0.000 0.501 1106 D N 0.210 120.634 120.400 0.040 0.000 2.361 1106 D HA 0.514 5.154 4.640 -0.000 0.000 0.239 1106 D C 0.387 176.744 176.300 0.095 0.000 1.200 1106 D CA 0.114 54.173 54.000 0.099 0.000 0.915 1106 D CB 1.673 42.595 40.800 0.203 0.000 1.170 1106 D HN 0.249 nan 8.370 nan 0.000 0.444 1107 V N 1.548 121.527 119.914 0.107 0.000 2.495 1107 V HA 0.361 4.481 4.120 -0.000 0.000 0.298 1107 V C -0.238 175.913 176.094 0.094 0.000 1.031 1107 V CA -0.742 61.609 62.300 0.084 0.000 0.871 1107 V CB 1.409 33.274 31.823 0.069 0.000 0.988 1107 V HN 0.276 nan 8.190 nan 0.000 0.432 1108 L N 5.338 126.606 121.223 0.075 0.000 2.313 1108 L HA 0.640 4.980 4.340 -0.000 0.000 0.283 1108 L C -0.680 176.215 176.870 0.043 0.000 1.013 1108 L CA -0.806 54.078 54.840 0.073 0.000 0.816 1108 L CB 1.871 43.960 42.059 0.049 0.000 1.236 1108 L HN 0.315 nan 8.230 nan 0.000 0.419 1109 V N 1.871 121.809 119.914 0.040 0.000 2.370 1109 V HA 0.291 4.411 4.120 -0.000 0.000 0.283 1109 V C 0.328 176.436 176.094 0.023 0.000 1.023 1109 V CA -0.379 61.935 62.300 0.022 0.000 0.857 1109 V CB 1.593 33.421 31.823 0.008 0.000 0.985 1109 V HN 0.730 nan 8.190 nan 0.000 0.443 1110 T N 3.623 118.186 114.554 0.015 0.000 2.743 1110 T HA 0.206 4.556 4.350 -0.000 0.000 0.293 1110 T C 1.348 176.058 174.700 0.017 0.000 0.945 1110 T CA 0.182 62.289 62.100 0.011 0.000 1.030 1110 T CB 1.237 70.107 68.868 0.003 0.000 0.912 1110 T HN 0.966 nan 8.240 nan 0.000 0.483 1111 T N 0.857 115.423 114.554 0.021 0.000 2.937 1111 T HA 0.461 4.811 4.350 -0.000 0.000 0.260 1111 T C 0.732 175.448 174.700 0.027 0.000 1.051 1111 T CA 0.274 62.394 62.100 0.033 0.000 1.141 1111 T CB 0.163 69.056 68.868 0.042 0.000 0.879 1111 T HN 0.749 nan 8.240 nan 0.000 0.459 1112 A N -0.008 122.818 122.820 0.011 0.000 2.608 1112 A HA 0.670 4.990 4.320 -0.000 0.000 0.292 1112 A C -1.026 176.546 177.584 -0.019 0.000 1.066 1112 A CA -0.842 51.196 52.037 0.003 0.000 0.676 1112 A CB 1.285 20.285 19.000 0.001 0.000 1.277 1112 A HN 0.199 nan 8.150 nan 0.000 0.413 1113 S N -0.149 115.538 115.700 -0.022 0.000 2.503 1113 S HA 0.581 5.051 4.470 -0.000 0.000 0.301 1113 S C -0.268 174.285 174.600 -0.078 0.000 1.087 1113 S CA -0.569 57.598 58.200 -0.055 0.000 1.042 1113 S CB 1.659 64.836 63.200 -0.037 0.000 1.043 1113 S HN 0.924 nan 8.310 nan 0.000 0.489 1114 V N 3.425 123.238 119.914 -0.167 0.000 2.485 1114 V HA 0.123 4.243 4.120 -0.000 0.000 0.287 1114 V C 0.677 176.691 176.094 -0.133 0.000 1.022 1114 V CA 0.111 62.272 62.300 -0.233 0.000 1.067 1114 V CB -0.372 31.108 31.823 -0.571 0.000 0.967 1114 V HN 0.697 nan 8.190 nan 0.000 0.479 1115 R N 5.443 125.920 120.500 -0.038 0.000 2.893 1115 R HA 0.299 4.639 4.340 -0.000 0.000 0.243 1115 R C 0.046 176.394 176.300 0.079 0.000 1.481 1115 R CA -0.113 56.008 56.100 0.034 0.000 1.250 1115 R CB 0.012 30.357 30.300 0.074 0.000 1.213 1115 R HN 0.677 nan 8.270 nan 0.000 0.609 1116 L N 2.141 123.414 121.223 0.083 0.000 2.848 1116 L HA 0.137 4.477 4.340 -0.000 0.000 0.240 1116 L C 0.249 177.217 176.870 0.163 0.000 1.232 1116 L CA -0.262 54.695 54.840 0.195 0.000 1.031 1116 L CB -0.577 41.632 42.059 0.250 0.000 1.338 1116 L HN 0.509 nan 8.230 nan 0.000 0.509 1117 D N -1.305 119.164 120.400 0.115 0.000 2.467 1117 D HA 0.286 4.926 4.640 -0.000 0.000 0.245 1117 D C 0.791 177.143 176.300 0.088 0.000 1.038 1117 D CA -0.376 53.674 54.000 0.084 0.000 1.038 1117 D CB 1.912 42.744 40.800 0.054 0.000 1.278 1117 D HN -0.069 nan 8.370 nan 0.000 0.564 1118 G N -0.941 107.889 108.800 0.051 0.000 2.608 1118 G HA2 0.190 4.150 3.960 -0.000 0.000 0.210 1118 G HA3 0.190 4.150 3.960 -0.000 0.000 0.210 1118 G C 1.325 176.209 174.900 -0.028 0.000 1.139 1118 G CA 0.639 45.764 45.100 0.042 0.000 0.812 1118 G HN 0.613 nan 8.290 nan 0.000 0.529 1119 A N 1.766 124.526 122.820 -0.099 0.000 1.930 1119 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 1119 A C 2.705 180.353 177.584 0.106 0.000 1.175 1119 A CA 2.417 54.348 52.037 -0.176 0.000 0.627 1119 A CB -0.753 18.218 19.000 -0.049 0.000 0.815 1119 A HN 0.699 nan 8.150 nan 0.000 0.443 1120 S N 0.439 116.236 115.700 0.162 0.000 2.383 1120 S HA -0.164 4.306 4.470 -0.000 0.000 0.229 1120 S C 1.767 176.516 174.600 0.247 0.000 1.030 1120 S CA 1.586 59.932 58.200 0.244 0.000 1.002 1120 S CB -0.872 62.416 63.200 0.147 0.000 0.829 1120 S HN 0.451 nan 8.310 nan 0.000 0.467 1121 L N 0.891 122.235 121.223 0.200 0.000 2.265 1121 L HA -0.072 4.268 4.340 -0.000 0.000 0.215 1121 L C 2.403 179.356 176.870 0.139 0.000 1.117 1121 L CA 1.292 56.235 54.840 0.171 0.000 0.782 1121 L CB -0.786 41.375 42.059 0.171 0.000 0.914 1121 L HN 0.517 nan 8.230 nan 0.000 0.441 1122 H N -1.907 117.091 119.070 -0.120 0.000 2.547 1122 H HA 0.012 4.568 4.556 0.000 0.000 0.266 1122 H C 1.244 176.190 175.328 -0.635 0.000 0.988 1122 H CA 0.484 56.310 56.048 -0.370 0.000 1.147 1122 H CB 0.405 29.876 29.762 -0.486 0.000 1.365 1122 H HN 0.342 nan 8.280 nan 0.000 0.589 1123 F N -0.302 119.669 119.950 0.035 0.000 2.640 1123 F HA 0.425 4.952 4.527 -0.000 0.000 0.285 1123 F C 0.843 176.550 175.800 -0.156 0.000 1.031 1123 F CA 0.016 57.977 58.000 -0.066 0.000 1.240 1123 F CB 0.945 39.890 39.000 -0.092 0.000 1.011 1123 F HN -0.052 nan 8.300 nan 0.000 0.656 1124 A N 0.450 123.286 122.820 0.025 0.000 2.547 1124 A HA 0.649 4.969 4.320 -0.000 0.000 0.297 1124 A C -2.772 174.829 177.584 0.029 0.000 1.056 1124 A CA -1.457 50.519 52.037 -0.102 0.000 0.688 1124 A CB 0.697 19.413 19.000 -0.472 0.000 1.282 1124 A HN -0.172 nan 8.150 nan 0.000 0.400 1125 P HA 0.095 nan 4.420 nan 0.000 0.271 1125 P C 0.904 178.283 177.300 0.133 0.000 1.244 1125 P CA -0.330 62.820 63.100 0.083 0.000 0.793 1125 P CB 0.609 32.354 31.700 0.075 0.000 0.984 1126 L N 1.337 122.628 121.223 0.112 0.000 2.127 1126 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 1126 L C 2.240 179.191 176.870 0.135 0.000 1.089 1126 L CA 1.890 56.802 54.840 0.121 0.000 0.757 1126 L CB -1.386 40.730 42.059 0.096 0.000 0.899 1126 L HN 0.464 nan 8.230 nan 0.000 0.434 1127 E N -1.177 119.100 120.200 0.128 0.000 2.338 1127 E HA -0.250 4.100 4.350 -0.000 0.000 0.197 1127 E C 0.793 177.469 176.600 0.127 0.000 1.007 1127 E CA 0.152 56.617 56.400 0.108 0.000 0.849 1127 E CB -0.761 28.990 29.700 0.086 0.000 0.774 1127 E HN 0.438 nan 8.360 nan 0.000 0.506 1128 F N 4.129 124.102 119.950 0.040 0.000 2.456 1128 F HA 0.229 4.756 4.527 -0.000 0.000 0.358 1128 F C -2.020 173.801 175.800 0.035 0.000 1.095 1128 F CA -2.647 55.376 58.000 0.038 0.000 1.216 1128 F CB 0.786 39.814 39.000 0.047 0.000 1.125 1128 F HN -0.177 nan 8.300 nan 0.000 0.549 1129 P HA 0.124 nan 4.420 nan 0.000 0.276 1129 P C -1.159 176.191 177.300 0.083 0.000 1.235 1129 P CA -0.351 62.691 63.100 -0.097 0.000 0.772 1129 P CB 1.252 32.820 31.700 -0.221 0.000 0.871 1130 A N 4.088 126.977 122.820 0.115 0.000 3.063 1130 A HA 0.242 4.562 4.320 -0.000 0.000 0.263 1130 A C 0.299 177.924 177.584 0.069 0.000 1.736 1130 A CA -0.318 51.793 52.037 0.124 0.000 1.408 1130 A CB -0.952 18.096 19.000 0.079 0.000 1.108 1130 A HN 0.470 nan 8.150 nan 0.000 0.621 1131 V N 1.745 121.701 119.914 0.071 0.000 2.481 1131 V HA 0.678 4.798 4.120 -0.000 0.000 0.286 1131 V C 0.657 176.789 176.094 0.064 0.000 1.042 1131 V CA -0.180 62.145 62.300 0.041 0.000 0.928 1131 V CB 1.335 33.160 31.823 0.002 0.000 0.986 1131 V HN 0.885 nan 8.190 nan 0.000 0.462 1132 A N 4.258 127.112 122.820 0.057 0.000 2.332 1132 A HA 0.392 4.712 4.320 -0.000 0.000 0.258 1132 A C 0.055 177.691 177.584 0.086 0.000 1.087 1132 A CA -0.258 51.816 52.037 0.062 0.000 0.802 1132 A CB 0.180 19.207 19.000 0.046 0.000 1.042 1132 A HN 1.026 nan 8.150 nan 0.000 0.489 1133 D N 0.110 120.562 120.400 0.086 0.000 2.424 1133 D HA 0.095 4.735 4.640 -0.000 0.000 0.244 1133 D C 0.716 177.092 176.300 0.128 0.000 1.134 1133 D CA 0.061 54.127 54.000 0.110 0.000 0.881 1133 D CB 0.136 40.990 40.800 0.090 0.000 1.191 1133 D HN 0.412 nan 8.370 nan 0.000 0.445 1134 F N 2.854 122.815 119.950 0.018 0.000 2.126 1134 F HA -0.133 4.394 4.527 0.000 0.000 0.299 1134 F C 1.865 177.672 175.800 0.012 0.000 1.096 1134 F CA 1.403 59.410 58.000 0.012 0.000 1.255 1134 F CB 0.157 39.162 39.000 0.008 0.000 0.997 1134 F HN 0.536 nan 8.300 nan 0.000 0.479 1135 E N -0.563 119.610 120.200 -0.046 0.000 2.072 1135 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 1135 E C 2.327 178.837 176.600 -0.150 0.000 0.985 1135 E CA 1.440 57.754 56.400 -0.143 0.000 0.801 1135 E CB -0.379 29.318 29.700 -0.004 0.000 0.750 1135 E HN 0.453 nan 8.360 nan 0.000 0.452 1136 C N 0.302 119.560 119.300 -0.071 0.000 2.432 1136 C HA -0.122 4.338 4.460 -0.000 0.000 0.277 1136 C C 2.855 177.793 174.990 -0.087 0.000 1.249 1136 C CA 1.213 60.199 59.018 -0.053 0.000 1.725 1136 C CB -0.967 26.773 27.740 -0.000 0.000 2.028 1136 C HN 0.512 nan 8.230 nan 0.000 0.477 1137 T N 0.485 114.977 114.554 -0.104 0.000 2.720 1137 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 1137 T C 1.780 176.369 174.700 -0.184 0.000 1.037 1137 T CA 2.188 64.221 62.100 -0.111 0.000 1.144 1137 T CB -0.534 68.290 68.868 -0.073 0.000 0.864 1137 T HN 0.603 nan 8.240 nan 0.000 0.444 1138 T N 2.020 116.369 114.554 -0.342 0.000 2.652 1138 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 1138 T C 2.413 176.998 174.700 -0.192 0.000 1.039 1138 T CA 1.288 63.177 62.100 -0.351 0.000 1.153 1138 T CB -0.659 67.873 68.868 -0.561 0.000 0.863 1138 T HN 0.441 nan 8.240 nan 0.000 0.428 1139 A N 0.991 123.715 122.820 -0.160 0.000 1.948 1139 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 1139 A C 2.319 179.857 177.584 -0.078 0.000 1.177 1139 A CA 1.374 53.351 52.037 -0.100 0.000 0.636 1139 A CB -0.889 18.064 19.000 -0.078 0.000 0.815 1139 A HN 0.483 nan 8.150 nan 0.000 0.449 1140 L N -0.872 120.306 121.223 -0.075 0.000 2.027 1140 L HA -0.142 4.198 4.340 -0.000 0.000 0.206 1140 L C 2.557 179.396 176.870 -0.052 0.000 1.074 1140 L CA 1.086 55.895 54.840 -0.052 0.000 0.745 1140 L CB -0.485 41.551 42.059 -0.037 0.000 0.898 1140 L HN 0.250 nan 8.230 nan 0.000 0.433 1141 V N -0.250 119.625 119.914 -0.065 0.000 2.343 1141 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 1141 V C 2.345 178.405 176.094 -0.057 0.000 1.051 1141 V CA 1.787 64.053 62.300 -0.056 0.000 1.036 1141 V CB -0.468 31.318 31.823 -0.061 0.000 0.654 1141 V HN 0.454 nan 8.190 nan 0.000 0.451 1142 E N 0.066 120.226 120.200 -0.067 0.000 2.106 1142 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 1142 E C 2.330 178.899 176.600 -0.053 0.000 0.984 1142 E CA 1.144 57.510 56.400 -0.058 0.000 0.806 1142 E CB -0.268 29.394 29.700 -0.063 0.000 0.750 1142 E HN 0.604 nan 8.360 nan 0.000 0.458 1143 A N 1.591 124.379 122.820 -0.054 0.000 1.902 1143 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 1143 A C 2.406 179.955 177.584 -0.058 0.000 1.181 1143 A CA 1.619 53.625 52.037 -0.052 0.000 0.623 1143 A CB -0.595 18.376 19.000 -0.048 0.000 0.818 1143 A HN 0.288 nan 8.150 nan 0.000 0.443 1144 A N -0.358 122.430 122.820 -0.053 0.000 1.908 1144 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 1144 A C 2.098 179.648 177.584 -0.058 0.000 1.181 1144 A CA 2.244 54.249 52.037 -0.054 0.000 0.627 1144 A CB -0.438 18.539 19.000 -0.038 0.000 0.818 1144 A HN 0.468 nan 8.150 nan 0.000 0.445 1145 K N 0.213 120.583 120.400 -0.051 0.000 2.097 1145 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 1145 K C 2.367 178.938 176.600 -0.048 0.000 1.049 1145 K CA 1.620 57.880 56.287 -0.046 0.000 0.933 1145 K CB -0.224 32.252 32.500 -0.040 0.000 0.717 1145 K HN 0.609 nan 8.250 nan 0.000 0.442 1146 S N 0.318 115.987 115.700 -0.052 0.000 2.428 1146 S HA -0.117 4.353 4.470 -0.000 0.000 0.230 1146 S C 1.759 176.320 174.600 -0.064 0.000 1.014 1146 S CA 1.080 59.249 58.200 -0.051 0.000 0.957 1146 S CB -0.430 62.741 63.200 -0.048 0.000 0.784 1146 S HN 0.434 nan 8.310 nan 0.000 0.499 1147 I N -2.331 118.186 120.570 -0.089 0.000 3.956 1147 I HA 0.591 4.761 4.170 -0.000 0.000 0.333 1147 I C 1.268 177.304 176.117 -0.135 0.000 1.302 1147 I CA 0.358 61.581 61.300 -0.128 0.000 1.122 1147 I CB -0.037 37.852 38.000 -0.185 0.000 1.013 1147 I HN 0.284 nan 8.210 nan 0.000 0.405 1148 G N 1.410 110.157 108.800 -0.087 0.000 2.160 1148 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.244 1148 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.244 1148 G C 0.404 175.290 174.900 -0.024 0.000 1.022 1148 G CA 0.036 45.106 45.100 -0.050 0.000 0.741 1148 G HN 0.997 nan 8.290 nan 0.000 0.508 1149 A N 0.254 123.052 122.820 -0.037 0.000 2.425 1149 A HA 0.716 5.036 4.320 -0.000 0.000 0.249 1149 A C 1.075 178.673 177.584 0.023 0.000 1.084 1149 A CA 0.970 53.045 52.037 0.063 0.000 0.781 1149 A CB 0.349 19.412 19.000 0.105 0.000 1.019 1149 A HN 1.906 nan 8.150 nan 0.000 0.490 1150 T N 0.950 115.522 114.554 0.031 0.000 2.779 1150 T HA 0.477 4.827 4.350 -0.000 0.000 0.296 1150 T C 0.087 174.719 174.700 -0.113 0.000 0.938 1150 T CA 0.107 62.178 62.100 -0.047 0.000 1.119 1150 T CB -0.179 68.673 68.868 -0.027 0.000 0.891 1150 T HN 0.549 nan 8.240 nan 0.000 0.526 1151 T N 4.667 119.086 114.554 -0.224 0.000 2.863 1151 T HA 0.455 4.805 4.350 -0.000 0.000 0.285 1151 T C -0.838 173.611 174.700 -0.419 0.000 1.009 1151 T CA -0.764 61.214 62.100 -0.204 0.000 0.989 1151 T CB 0.970 69.783 68.868 -0.092 0.000 1.004 1151 T HN 0.736 nan 8.240 nan 0.000 0.455 1152 H N 0.761 119.846 119.070 0.026 0.000 2.538 1152 H HA 0.580 5.136 4.556 -0.000 0.000 0.353 1152 H C -1.085 174.257 175.328 0.023 0.000 1.109 1152 H CA -0.570 55.499 56.048 0.035 0.000 1.192 1152 H CB 1.891 31.675 29.762 0.037 0.000 1.555 1152 H HN 0.251 nan 8.280 nan 0.000 0.518 1153 V N 2.261 122.251 119.914 0.126 0.000 2.444 1153 V HA 0.696 4.816 4.120 -0.000 0.000 0.294 1153 V C 0.465 176.605 176.094 0.076 0.000 1.022 1153 V CA -0.239 62.105 62.300 0.073 0.000 0.850 1153 V CB 1.369 33.218 31.823 0.044 0.000 0.992 1153 V HN 1.102 nan 8.190 nan 0.000 0.426 1154 G N 3.262 112.095 108.800 0.054 0.000 2.356 1154 G HA2 0.414 4.374 3.960 -0.000 0.000 0.281 1154 G HA3 0.414 4.374 3.960 -0.000 0.000 0.281 1154 G C -1.483 173.425 174.900 0.013 0.000 1.246 1154 G CA -0.417 44.707 45.100 0.040 0.000 0.889 1154 G HN 0.488 nan 8.290 nan 0.000 0.486 1155 V N 0.786 120.698 119.914 -0.004 0.000 2.509 1155 V HA 0.647 4.767 4.120 -0.000 0.000 0.284 1155 V C 0.283 176.333 176.094 -0.074 0.000 1.047 1155 V CA -0.084 62.194 62.300 -0.036 0.000 0.952 1155 V CB 1.332 33.133 31.823 -0.038 0.000 0.988 1155 V HN 0.759 nan 8.190 nan 0.000 0.469 1156 T N 3.534 118.030 114.554 -0.095 0.000 2.856 1156 T HA 0.666 5.016 4.350 -0.000 0.000 0.283 1156 T C -0.126 174.455 174.700 -0.197 0.000 1.008 1156 T CA -0.291 61.731 62.100 -0.129 0.000 0.997 1156 T CB 1.653 70.478 68.868 -0.071 0.000 0.992 1156 T HN 0.908 nan 8.240 nan 0.000 0.454 1157 A N 2.124 124.773 122.820 -0.284 0.000 2.260 1157 A HA 0.647 4.967 4.320 -0.000 0.000 0.308 1157 A C 0.253 177.786 177.584 -0.084 0.000 1.254 1157 A CA -0.497 51.333 52.037 -0.346 0.000 0.874 1157 A CB 0.522 19.123 19.000 -0.665 0.000 1.153 1157 A HN 0.629 nan 8.150 nan 0.000 0.527 1158 S N 2.065 117.728 115.700 -0.062 0.000 2.520 1158 S HA 0.523 4.993 4.470 -0.000 0.000 0.324 1158 S C -0.177 174.443 174.600 0.033 0.000 1.069 1158 S CA -0.317 57.887 58.200 0.006 0.000 1.121 1158 S CB 0.371 63.566 63.200 -0.009 0.000 0.971 1158 S HN 1.050 nan 8.310 nan 0.000 0.463 1159 S N 3.430 119.153 115.700 0.037 0.000 2.475 1159 S HA 0.353 4.823 4.470 -0.000 0.000 0.298 1159 S C 0.467 175.057 174.600 -0.018 0.000 1.119 1159 S CA -0.600 57.599 58.200 -0.002 0.000 1.085 1159 S CB 1.179 64.310 63.200 -0.114 0.000 1.028 1159 S HN 0.690 nan 8.310 nan 0.000 0.489 1160 D N 2.257 122.655 120.400 -0.004 0.000 2.378 1160 D HA 0.076 4.716 4.640 -0.000 0.000 0.222 1160 D C 0.753 177.042 176.300 -0.018 0.000 0.980 1160 D CA 0.974 54.975 54.000 0.001 0.000 0.907 1160 D CB 0.092 40.908 40.800 0.027 0.000 0.899 1160 D HN 0.739 nan 8.370 nan 0.000 0.527 1161 T N -4.142 110.370 114.554 -0.071 0.000 2.906 1161 T HA 0.292 4.642 4.350 -0.000 0.000 0.295 1161 T C 0.421 175.067 174.700 -0.089 0.000 1.061 1161 T CA -0.905 61.167 62.100 -0.046 0.000 1.000 1161 T CB 1.200 70.027 68.868 -0.068 0.000 1.103 1161 T HN -0.118 nan 8.240 nan 0.000 0.486 1162 F N 0.159 119.986 119.950 -0.204 0.000 2.387 1162 F HA 0.221 4.748 4.527 0.000 0.000 0.294 1162 F C 0.974 176.458 175.800 -0.526 0.000 1.093 1162 F CA 0.635 58.406 58.000 -0.383 0.000 1.420 1162 F CB -0.062 38.671 39.000 -0.445 0.000 1.086 1162 F HN 0.684 nan 8.300 nan 0.000 0.531 1163 Y N 0.843 121.093 120.300 -0.083 0.000 2.304 1163 Y HA 0.145 4.695 4.550 -0.000 0.000 0.265 1163 Y C -0.421 175.298 175.900 -0.302 0.000 1.074 1163 Y CA 0.522 58.523 58.100 -0.165 0.000 1.102 1163 Y CB -1.969 36.484 38.460 -0.012 0.000 1.037 1163 Y HN -0.208 nan 8.280 nan 0.000 0.484 1164 P HA -0.087 nan 4.420 nan 0.000 0.217 1164 P C 1.498 178.516 177.300 -0.470 0.000 1.150 1164 P CA 2.175 65.133 63.100 -0.238 0.000 0.832 1164 P CB -0.235 31.383 31.700 -0.136 0.000 0.787 1165 G N -0.068 108.354 108.800 -0.630 0.000 2.509 1165 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 1165 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 1165 G C 1.325 175.796 174.900 -0.715 0.000 1.124 1165 G CA 0.298 44.784 45.100 -1.023 0.000 0.776 1165 G HN 0.376 nan 8.290 nan 0.000 0.547 1166 Q N -0.502 118.853 119.800 -0.742 0.000 2.189 1166 Q HA 0.212 4.552 4.340 -0.000 0.000 0.221 1166 Q C -0.054 175.610 176.000 -0.560 0.000 0.848 1166 Q CA -0.315 54.801 55.803 -1.144 0.000 1.007 1166 Q CB 0.448 28.407 28.738 -1.298 0.000 1.116 1166 Q HN 0.543 nan 8.270 nan 0.000 0.481 1167 E N 1.667 121.661 120.200 -0.343 0.000 2.199 1167 E HA -0.244 4.106 4.350 -0.000 0.000 0.208 1167 E C -0.866 175.557 176.600 -0.295 0.000 1.310 1167 E CA 0.202 56.450 56.400 -0.254 0.000 0.709 1167 E CB -0.339 29.358 29.700 -0.004 0.000 1.127 1167 E HN 0.346 nan 8.360 nan 0.000 0.354 1168 R N 0.159 120.468 120.500 -0.318 0.000 2.265 1168 R HA 0.164 4.504 4.340 -0.000 0.000 0.314 1168 R C 0.326 176.487 176.300 -0.230 0.000 1.053 1168 R CA -0.123 55.878 56.100 -0.165 0.000 0.931 1168 R CB 0.468 30.721 30.300 -0.079 0.000 1.024 1168 R HN 0.217 nan 8.270 nan 0.000 0.457 1169 Y N -0.331 119.998 120.300 0.047 0.000 2.458 1169 Y HA 0.020 4.570 4.550 -0.000 0.000 0.254 1169 Y C 0.716 176.644 175.900 0.046 0.000 1.120 1169 Y CA -0.051 58.073 58.100 0.041 0.000 1.282 1169 Y CB 0.448 38.922 38.460 0.024 0.000 1.109 1169 Y HN 0.503 nan 8.280 nan 0.000 0.526 1170 D N 1.489 122.003 120.400 0.190 0.000 2.619 1170 D HA 0.133 4.773 4.640 -0.000 0.000 0.224 1170 D C -0.027 176.340 176.300 0.112 0.000 1.133 1170 D CA 0.158 54.243 54.000 0.142 0.000 1.017 1170 D CB -0.166 40.716 40.800 0.137 0.000 1.077 1170 D HN 0.248 nan 8.370 nan 0.000 0.503 1171 T N -1.732 112.855 114.554 0.055 0.000 2.716 1171 T HA 0.159 4.509 4.350 -0.000 0.000 0.286 1171 T C 0.927 175.630 174.700 0.005 0.000 1.052 1171 T CA -0.831 61.251 62.100 -0.031 0.000 1.024 1171 T CB 0.320 69.141 68.868 -0.078 0.000 1.349 1171 T HN 0.148 nan 8.240 nan 0.000 0.525 1172 Y N 1.365 121.594 120.300 -0.120 0.000 2.128 1172 Y HA -0.144 4.406 4.550 -0.000 0.000 0.284 1172 Y C 2.711 178.588 175.900 -0.038 0.000 1.154 1172 Y CA 2.610 60.664 58.100 -0.076 0.000 1.149 1172 Y CB -0.199 38.206 38.460 -0.092 0.000 0.976 1172 Y HN 0.732 nan 8.280 nan 0.000 0.505 1173 S N -1.048 114.554 115.700 -0.163 0.000 2.478 1173 S HA 0.177 4.647 4.470 -0.000 0.000 0.222 1173 S C 1.740 176.280 174.600 -0.101 0.000 1.008 1173 S CA 0.497 58.570 58.200 -0.211 0.000 0.928 1173 S CB -0.246 62.923 63.200 -0.051 0.000 0.781 1173 S HN 0.959 nan 8.310 nan 0.000 0.518 1174 G N 2.085 110.869 108.800 -0.028 0.000 2.168 1174 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.257 1174 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.257 1174 G C -0.028 174.963 174.900 0.152 0.000 0.997 1174 G CA 0.523 45.660 45.100 0.060 0.000 0.708 1174 G HN 1.026 nan 8.290 nan 0.000 0.520 1175 R N -1.612 118.943 120.500 0.091 0.000 2.808 1175 R HA 0.773 5.113 4.340 -0.000 0.000 0.272 1175 R C -1.380 174.930 176.300 0.015 0.000 0.995 1175 R CA -0.897 55.281 56.100 0.130 0.000 0.917 1175 R CB 1.903 32.258 30.300 0.092 0.000 1.217 1175 R HN 0.287 nan 8.270 nan 0.000 0.471 1176 V N 2.451 122.387 119.914 0.037 0.000 2.540 1176 V HA 0.282 4.402 4.120 -0.000 0.000 0.302 1176 V C 0.130 176.280 176.094 0.093 0.000 1.035 1176 V CA -1.038 61.243 62.300 -0.032 0.000 0.873 1176 V CB 1.681 33.371 31.823 -0.223 0.000 0.992 1176 V HN 0.670 nan 8.190 nan 0.000 0.428 1177 V N 5.826 125.817 119.914 0.128 0.000 2.814 1177 V HA 0.005 4.125 4.120 -0.000 0.000 0.307 1177 V C 1.937 178.137 176.094 0.178 0.000 1.089 1177 V CA 0.765 63.165 62.300 0.167 0.000 1.212 1177 V CB 0.752 32.707 31.823 0.219 0.000 0.912 1177 V HN 0.982 nan 8.190 nan 0.000 0.497 1178 R N 3.677 124.255 120.500 0.130 0.000 2.134 1178 R HA -0.280 4.060 4.340 -0.000 0.000 0.248 1178 R C 1.948 178.293 176.300 0.076 0.000 1.143 1178 R CA 2.800 58.958 56.100 0.095 0.000 0.957 1178 R CB -0.632 29.712 30.300 0.074 0.000 0.867 1178 R HN 1.007 nan 8.270 nan 0.000 0.441 1179 H N -0.916 118.137 119.070 -0.027 0.000 2.426 1179 H HA -0.147 4.409 4.556 -0.000 0.000 0.298 1179 H C 1.111 176.243 175.328 -0.328 0.000 1.107 1179 H CA 2.247 58.179 56.048 -0.193 0.000 1.298 1179 H CB -0.193 29.403 29.762 -0.277 0.000 1.377 1179 H HN 0.290 nan 8.280 nan 0.000 0.519 1180 F N -0.322 119.590 119.950 -0.062 0.000 2.721 1180 F HA 0.238 4.765 4.527 0.000 0.000 0.301 1180 F C 0.979 176.739 175.800 -0.068 0.000 1.096 1180 F CA -0.290 57.649 58.000 -0.101 0.000 1.308 1180 F CB 0.352 39.346 39.000 -0.009 0.000 1.086 1180 F HN -0.160 nan 8.300 nan 0.000 0.587 1181 K N 0.556 121.014 120.400 0.097 0.000 2.412 1181 K HA 0.263 4.583 4.320 -0.000 0.000 0.284 1181 K C 1.140 177.760 176.600 0.033 0.000 1.046 1181 K CA 0.922 57.279 56.287 0.116 0.000 0.999 1181 K CB 0.204 32.770 32.500 0.110 0.000 0.941 1181 K HN 0.352 nan 8.250 nan 0.000 0.474 1182 G N 2.156 110.994 108.800 0.062 0.000 2.162 1182 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 1182 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 1182 G C 0.791 175.616 174.900 -0.125 0.000 0.976 1182 G CA 0.870 45.958 45.100 -0.020 0.000 0.655 1182 G HN 0.725 nan 8.290 nan 0.000 0.533 1183 S N -0.776 114.853 115.700 -0.118 0.000 2.406 1183 S HA 0.069 4.539 4.470 -0.000 0.000 0.228 1183 S C 2.261 176.620 174.600 -0.400 0.000 1.020 1183 S CA 1.569 59.557 58.200 -0.353 0.000 0.965 1183 S CB -0.234 62.904 63.200 -0.104 0.000 0.798 1183 S HN 0.738 nan 8.310 nan 0.000 0.488 1184 M N 1.623 121.235 119.600 0.019 0.000 2.117 1184 M HA -0.079 4.401 4.480 -0.000 0.000 0.262 1184 M C 2.345 178.662 176.300 0.027 0.000 1.065 1184 M CA 2.069 57.477 55.300 0.180 0.000 1.114 1184 M CB -0.289 32.479 32.600 0.279 0.000 1.361 1184 M HN 0.502 nan 8.290 nan 0.000 0.408 1185 E N 0.034 120.219 120.200 -0.025 0.000 2.085 1185 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 1185 E C 1.839 178.382 176.600 -0.095 0.000 0.994 1185 E CA 1.474 57.850 56.400 -0.040 0.000 0.801 1185 E CB -0.056 29.621 29.700 -0.039 0.000 0.743 1185 E HN 0.569 nan 8.360 nan 0.000 0.453 1186 E N -0.164 119.892 120.200 -0.240 0.000 2.031 1186 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 1186 E C 1.895 178.407 176.600 -0.146 0.000 0.994 1186 E CA 1.414 57.632 56.400 -0.303 0.000 0.800 1186 E CB -0.328 29.037 29.700 -0.558 0.000 0.752 1186 E HN 0.510 nan 8.360 nan 0.000 0.447 1187 W N 1.284 122.576 121.300 -0.013 0.000 2.358 1187 W HA -0.193 4.467 4.660 0.000 0.000 0.303 1187 W C 2.622 179.102 176.519 -0.065 0.000 1.208 1187 W CA 0.236 57.550 57.345 -0.053 0.000 1.274 1187 W CB -0.352 29.038 29.460 -0.116 0.000 1.138 1187 W HN 0.200 nan 8.180 nan 0.000 0.515 1188 Q N 0.570 120.457 119.800 0.145 0.000 2.045 1188 Q HA -0.254 4.086 4.340 -0.000 0.000 0.206 1188 Q C 2.466 178.503 176.000 0.061 0.000 0.991 1188 Q CA 2.497 58.342 55.803 0.070 0.000 0.851 1188 Q CB -0.571 28.192 28.738 0.042 0.000 0.911 1188 Q HN 0.302 nan 8.270 nan 0.000 0.418 1189 A N -0.170 122.675 122.820 0.043 0.000 2.019 1189 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 1189 A C 1.764 179.379 177.584 0.051 0.000 1.164 1189 A CA 1.220 53.276 52.037 0.031 0.000 0.644 1189 A CB -0.310 18.693 19.000 0.004 0.000 0.805 1189 A HN 0.389 nan 8.150 nan 0.000 0.449 1190 M N -1.299 118.354 119.600 0.087 0.000 2.561 1190 M HA 0.183 4.663 4.480 -0.000 0.000 0.238 1190 M C 1.275 177.627 176.300 0.087 0.000 1.131 1190 M CA 0.742 56.105 55.300 0.104 0.000 1.046 1190 M CB 0.320 33.027 32.600 0.178 0.000 1.532 1190 M HN 0.603 nan 8.290 nan 0.000 0.497 1191 G N 0.491 109.336 108.800 0.076 0.000 2.157 1191 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.248 1191 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.248 1191 G C 0.078 175.004 174.900 0.043 0.000 0.979 1191 G CA -0.245 44.892 45.100 0.063 0.000 0.650 1191 G HN 0.298 nan 8.290 nan 0.000 0.529 1192 V N 1.735 121.671 119.914 0.036 0.000 2.673 1192 V HA 0.203 4.323 4.120 -0.000 0.000 0.303 1192 V C 1.854 177.902 176.094 -0.076 0.000 1.046 1192 V CA 1.173 63.451 62.300 -0.036 0.000 1.126 1192 V CB 1.246 33.025 31.823 -0.072 0.000 0.934 1192 V HN 0.400 nan 8.190 nan 0.000 0.487 1193 M N 3.159 122.699 119.600 -0.101 0.000 2.287 1193 M HA 0.106 4.586 4.480 -0.000 0.000 0.266 1193 M C 0.605 176.808 176.300 -0.163 0.000 1.079 1193 M CA 1.019 56.245 55.300 -0.123 0.000 1.146 1193 M CB 0.038 32.584 32.600 -0.090 0.000 1.374 1193 M HN 0.960 nan 8.290 nan 0.000 0.435 1194 N N -1.680 116.905 118.700 -0.192 0.000 3.185 1194 N HA 0.168 4.908 4.740 -0.000 0.000 0.238 1194 N C -1.966 173.401 175.510 -0.238 0.000 1.451 1194 N CA -0.682 52.263 53.050 -0.175 0.000 0.888 1194 N CB 1.106 39.544 38.487 -0.082 0.000 1.413 1194 N HN 0.006 nan 8.380 nan 0.000 0.511 1195 Y N -0.439 119.815 120.300 -0.077 0.000 2.409 1195 Y HA 0.474 5.024 4.550 -0.000 0.000 0.339 1195 Y C 0.290 176.143 175.900 -0.077 0.000 1.033 1195 Y CA -0.329 57.714 58.100 -0.095 0.000 1.094 1195 Y CB 1.751 40.139 38.460 -0.121 0.000 1.210 1195 Y HN 0.777 nan 8.280 nan 0.000 0.456 1196 E N 0.222 120.494 120.200 0.120 0.000 2.391 1196 E HA 0.475 4.825 4.350 -0.000 0.000 0.256 1196 E C -1.051 175.579 176.600 0.050 0.000 0.975 1196 E CA -0.819 55.622 56.400 0.069 0.000 0.881 1196 E CB 1.141 30.867 29.700 0.044 0.000 1.728 1196 E HN 0.530 nan 8.360 nan 0.000 0.446 1197 M N -0.470 119.153 119.600 0.038 0.000 2.414 1197 M HA 0.358 4.838 4.480 -0.000 0.000 0.357 1197 M C -0.193 176.119 176.300 0.019 0.000 1.059 1197 M CA 0.226 55.542 55.300 0.027 0.000 0.959 1197 M CB 0.654 33.274 32.600 0.033 0.000 1.522 1197 M HN 0.523 nan 8.290 nan 0.000 0.551 1198 E N -0.835 119.375 120.200 0.016 0.000 2.535 1198 E HA 0.062 4.412 4.350 -0.000 0.000 0.216 1198 E C 1.792 178.391 176.600 -0.002 0.000 0.845 1198 E CA 0.509 56.914 56.400 0.008 0.000 1.306 1198 E CB 0.476 30.183 29.700 0.011 0.000 1.291 1198 E HN 0.309 nan 8.360 nan 0.000 0.635 1199 S N 0.753 116.453 115.700 0.001 0.000 2.383 1199 S HA -0.067 4.403 4.470 -0.000 0.000 0.227 1199 S C 2.224 176.820 174.600 -0.007 0.000 1.026 1199 S CA 0.883 59.079 58.200 -0.005 0.000 0.981 1199 S CB -0.243 62.955 63.200 -0.003 0.000 0.818 1199 S HN 0.223 nan 8.310 nan 0.000 0.472 1200 A N 1.890 124.710 122.820 0.001 0.000 1.883 1200 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 1200 A C 2.448 180.041 177.584 0.014 0.000 1.186 1200 A CA 2.260 54.306 52.037 0.015 0.000 0.624 1200 A CB -1.726 17.288 19.000 0.024 0.000 0.822 1200 A HN 0.562 nan 8.150 nan 0.000 0.444 1201 T N -0.156 114.399 114.554 0.002 0.000 2.737 1201 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 1201 T C 1.875 176.508 174.700 -0.110 0.000 1.038 1201 T CA 1.474 63.564 62.100 -0.017 0.000 1.144 1201 T CB -0.384 68.483 68.868 -0.002 0.000 0.866 1201 T HN 0.343 nan 8.240 nan 0.000 0.434 1202 L N 1.064 122.225 121.223 -0.102 0.000 1.994 1202 L HA 0.020 4.360 4.340 -0.000 0.000 0.208 1202 L C 2.157 178.938 176.870 -0.148 0.000 1.071 1202 L CA 1.708 56.452 54.840 -0.160 0.000 0.745 1202 L CB -0.684 41.314 42.059 -0.101 0.000 0.892 1202 L HN 0.242 nan 8.230 nan 0.000 0.431 1203 L N -1.337 119.847 121.223 -0.064 0.000 2.093 1203 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 1203 L C 2.329 179.198 176.870 -0.002 0.000 1.085 1203 L CA 1.531 56.361 54.840 -0.017 0.000 0.755 1203 L CB -1.100 40.972 42.059 0.021 0.000 0.904 1203 L HN 0.294 nan 8.230 nan 0.000 0.435 1204 T N 0.539 115.087 114.554 -0.010 0.000 2.737 1204 T HA -0.190 4.160 4.350 -0.000 0.000 0.265 1204 T C 1.871 176.476 174.700 -0.159 0.000 1.038 1204 T CA 1.798 63.908 62.100 0.017 0.000 1.144 1204 T CB -0.195 68.710 68.868 0.061 0.000 0.866 1204 T HN 0.435 nan 8.240 nan 0.000 0.434 1205 M N 0.231 119.611 119.600 -0.367 0.000 2.229 1205 M HA -0.011 4.469 4.480 -0.000 0.000 0.264 1205 M C 2.195 178.224 176.300 -0.452 0.000 1.063 1205 M CA 1.464 56.309 55.300 -0.758 0.000 1.114 1205 M CB -0.978 30.707 32.600 -1.526 0.000 1.387 1205 M HN 0.177 nan 8.290 nan 0.000 0.420 1206 C N 1.453 120.579 119.300 -0.291 0.000 2.489 1206 C HA 0.149 4.609 4.460 -0.000 0.000 0.279 1206 C C 3.264 178.231 174.990 -0.038 0.000 1.266 1206 C CA 1.028 59.955 59.018 -0.152 0.000 1.707 1206 C CB -1.226 26.460 27.740 -0.092 0.000 2.059 1206 C HN 0.764 nan 8.230 nan 0.000 0.481 1207 A N 1.064 123.900 122.820 0.027 0.000 2.076 1207 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 1207 A C 2.121 179.799 177.584 0.158 0.000 1.160 1207 A CA 2.210 54.340 52.037 0.154 0.000 0.653 1207 A CB -0.588 18.591 19.000 0.298 0.000 0.801 1207 A HN 0.739 nan 8.150 nan 0.000 0.455 1208 S N -2.107 113.566 115.700 -0.045 0.000 2.556 1208 S HA 0.192 4.662 4.470 -0.000 0.000 0.216 1208 S C 0.877 175.436 174.600 -0.069 0.000 0.970 1208 S CA 0.167 58.260 58.200 -0.178 0.000 0.912 1208 S CB 0.113 62.997 63.200 -0.528 0.000 0.790 1208 S HN 0.634 nan 8.310 nan 0.000 0.504 1209 Q N 0.313 120.092 119.800 -0.034 0.000 2.086 1209 Q HA 0.349 4.689 4.340 -0.000 0.000 0.220 1209 Q C 0.652 176.667 176.000 0.025 0.000 0.792 1209 Q CA 0.043 55.842 55.803 -0.007 0.000 1.062 1209 Q CB 1.066 29.784 28.738 -0.033 0.000 1.198 1209 Q HN 0.619 nan 8.270 nan 0.000 0.466 1210 G N 1.435 110.262 108.800 0.044 0.000 2.160 1210 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.251 1210 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.251 1210 G C -0.060 174.883 174.900 0.071 0.000 1.008 1210 G CA 0.219 45.355 45.100 0.060 0.000 0.724 1210 G HN 0.272 nan 8.290 nan 0.000 0.514 1211 L N -0.344 120.925 121.223 0.077 0.000 2.334 1211 L HA 0.612 4.952 4.340 -0.000 0.000 0.275 1211 L C 1.006 177.956 176.870 0.134 0.000 1.036 1211 L CA -1.093 53.826 54.840 0.132 0.000 0.807 1211 L CB 1.287 43.453 42.059 0.178 0.000 1.231 1211 L HN 0.044 nan 8.230 nan 0.000 0.438 1212 R N 1.871 122.464 120.500 0.156 0.000 2.297 1212 R HA 0.729 5.069 4.340 -0.000 0.000 0.308 1212 R C -0.675 175.729 176.300 0.173 0.000 1.029 1212 R CA -0.407 55.769 56.100 0.127 0.000 0.929 1212 R CB 1.511 31.860 30.300 0.081 0.000 1.046 1212 R HN 0.722 nan 8.270 nan 0.000 0.461 1213 A N 1.536 124.431 122.820 0.126 0.000 2.475 1213 A HA 0.809 5.129 4.320 -0.000 0.000 0.301 1213 A C -0.758 176.872 177.584 0.076 0.000 1.059 1213 A CA -0.639 51.474 52.037 0.126 0.000 0.710 1213 A CB 2.234 21.284 19.000 0.083 0.000 1.288 1213 A HN 0.759 nan 8.150 nan 0.000 0.408 1214 G N 0.475 109.316 108.800 0.068 0.000 2.642 1214 G HA2 0.637 4.597 3.960 -0.000 0.000 0.293 1214 G HA3 0.637 4.597 3.960 -0.000 0.000 0.293 1214 G C -1.222 173.700 174.900 0.036 0.000 1.341 1214 G CA -0.486 44.637 45.100 0.038 0.000 0.916 1214 G HN 0.573 nan 8.290 nan 0.000 0.474 1215 M N 1.197 120.811 119.600 0.023 0.000 2.326 1215 M HA 0.561 5.041 4.480 -0.000 0.000 0.292 1215 M C -1.576 174.734 176.300 0.016 0.000 1.081 1215 M CA -0.802 54.511 55.300 0.021 0.000 0.919 1215 M CB 1.936 34.546 32.600 0.017 0.000 1.634 1215 M HN 0.478 nan 8.290 nan 0.000 0.451 1216 V N 3.050 122.975 119.914 0.018 0.000 2.888 1216 V HA 0.980 5.100 4.120 -0.000 0.000 0.309 1216 V C -1.642 174.465 176.094 0.022 0.000 1.114 1216 V CA -0.239 62.071 62.300 0.018 0.000 0.940 1216 V CB 2.011 33.842 31.823 0.013 0.000 1.021 1216 V HN 1.007 nan 8.190 nan 0.000 0.426 1217 A N 3.899 126.734 122.820 0.025 0.000 2.549 1217 A HA 0.916 5.236 4.320 -0.000 0.000 0.297 1217 A C -0.227 177.376 177.584 0.032 0.000 1.061 1217 A CA -0.132 51.920 52.037 0.026 0.000 0.690 1217 A CB 1.872 20.885 19.000 0.022 0.000 1.287 1217 A HN 1.619 nan 8.150 nan 0.000 0.402 1218 G N 0.045 108.863 108.800 0.029 0.000 2.348 1218 G HA2 0.523 4.483 3.960 -0.000 0.000 0.312 1218 G HA3 0.523 4.483 3.960 -0.000 0.000 0.312 1218 G C -0.513 174.398 174.900 0.018 0.000 1.126 1218 G CA -0.361 44.756 45.100 0.029 0.000 0.865 1218 G HN 0.919 nan 8.290 nan 0.000 0.474 1219 V N 3.468 123.391 119.914 0.015 0.000 2.427 1219 V HA 0.101 4.221 4.120 -0.000 0.000 0.268 1219 V C 1.288 177.381 176.094 -0.001 0.000 1.046 1219 V CA 0.028 62.331 62.300 0.004 0.000 0.970 1219 V CB 0.604 32.424 31.823 -0.004 0.000 1.001 1219 V HN 0.769 nan 8.190 nan 0.000 0.476 1220 I N 3.542 124.115 120.570 0.004 0.000 3.708 1220 I HA 0.446 4.616 4.170 -0.000 0.000 0.302 1220 I C 0.407 176.528 176.117 0.006 0.000 1.255 1220 I CA 0.558 61.861 61.300 0.005 0.000 1.362 1220 I CB 0.756 38.764 38.000 0.012 0.000 1.100 1220 I HN 0.410 nan 8.210 nan 0.000 0.434 1221 V N 1.045 120.963 119.914 0.007 0.000 3.120 1221 V HA 0.447 4.567 4.120 -0.000 0.000 0.303 1221 V C -1.705 174.386 176.094 -0.006 0.000 1.238 1221 V CA -0.657 61.647 62.300 0.005 0.000 1.008 1221 V CB 2.394 34.228 31.823 0.018 0.000 1.064 1221 V HN 0.341 nan 8.190 nan 0.000 0.434 1222 N N 3.893 122.589 118.700 -0.008 0.000 2.446 1222 N HA 0.359 5.099 4.740 -0.000 0.000 0.265 1222 N C 0.647 176.156 175.510 -0.002 0.000 0.975 1222 N CA -0.610 52.430 53.050 -0.016 0.000 0.928 1222 N CB 1.673 40.143 38.487 -0.028 0.000 1.160 1222 N HN 0.564 nan 8.380 nan 0.000 0.495 1223 R N 0.682 121.185 120.500 0.005 0.000 2.241 1223 R HA -0.069 4.271 4.340 -0.000 0.000 0.224 1223 R C 1.446 177.761 176.300 0.026 0.000 1.101 1223 R CA 1.063 57.177 56.100 0.023 0.000 0.995 1223 R CB -0.830 29.504 30.300 0.056 0.000 0.870 1223 R HN 0.656 nan 8.270 nan 0.000 0.463 1224 T N -1.400 113.162 114.554 0.012 0.000 3.215 1224 T HA -0.008 4.342 4.350 -0.000 0.000 0.254 1224 T C 1.310 176.018 174.700 0.013 0.000 1.149 1224 T CA 0.475 62.583 62.100 0.014 0.000 1.042 1224 T CB 0.114 68.985 68.868 0.005 0.000 0.966 1224 T HN 0.361 nan 8.240 nan 0.000 0.534 1225 Q N -0.878 118.930 119.800 0.014 0.000 2.215 1225 Q HA 0.357 4.697 4.340 -0.000 0.000 0.257 1225 Q C 0.218 176.230 176.000 0.020 0.000 0.792 1225 Q CA -0.174 55.638 55.803 0.015 0.000 0.958 1225 Q CB 0.846 29.590 28.738 0.010 0.000 1.158 1225 Q HN 0.492 nan 8.270 nan 0.000 0.490 1226 Q N -0.300 119.514 119.800 0.022 0.000 2.435 1226 Q HA 0.282 4.622 4.340 -0.000 0.000 0.282 1226 Q C -0.462 175.554 176.000 0.026 0.000 1.020 1226 Q CA -0.208 55.611 55.803 0.028 0.000 0.820 1226 Q CB 2.759 31.513 28.738 0.025 0.000 1.436 1226 Q HN 0.050 nan 8.270 nan 0.000 0.395 1227 E N 0.783 121.003 120.200 0.034 0.000 2.038 1227 E HA 0.104 4.454 4.350 -0.000 0.000 0.190 1227 E C 0.162 176.773 176.600 0.019 0.000 0.967 1227 E CA 0.398 56.807 56.400 0.015 0.000 0.816 1227 E CB 0.477 30.204 29.700 0.046 0.000 0.784 1227 E HN 0.362 nan 8.360 nan 0.000 0.456 1228 I N 3.500 124.114 120.570 0.073 0.000 2.396 1228 I HA 0.133 4.303 4.170 -0.000 0.000 0.289 1228 I C -1.870 174.293 176.117 0.077 0.000 1.056 1228 I CA -2.052 59.314 61.300 0.110 0.000 1.365 1228 I CB -0.020 38.059 38.000 0.131 0.000 1.407 1228 I HN -0.029 nan 8.210 nan 0.000 0.509 1235 K N 0.776 121.159 120.400 -0.028 0.000 2.283 1235 K HA -0.014 4.306 4.320 -0.000 0.000 0.202 1235 K C 1.539 178.125 176.600 -0.024 0.000 1.048 1235 K CA 1.443 57.717 56.287 -0.023 0.000 0.948 1235 K CB 0.097 32.585 32.500 -0.019 0.000 0.742 1235 K HN 0.512 nan 8.250 nan 0.000 0.458 1236 Q N -0.671 119.104 119.800 -0.041 0.000 2.389 1236 Q HA -0.040 4.300 4.340 -0.000 0.000 0.204 1236 Q C 1.336 177.272 176.000 -0.108 0.000 0.944 1236 Q CA 0.959 56.730 55.803 -0.053 0.000 0.908 1236 Q CB 0.484 29.178 28.738 -0.072 0.000 1.002 1236 Q HN 0.312 nan 8.270 nan 0.000 0.493 1237 T N 1.052 115.541 114.554 -0.107 0.000 2.809 1237 T HA -0.152 4.198 4.350 -0.000 0.000 0.260 1237 T C 1.574 176.267 174.700 -0.012 0.000 1.039 1237 T CA 1.544 63.577 62.100 -0.112 0.000 1.141 1237 T CB -0.051 68.773 68.868 -0.075 0.000 0.869 1237 T HN 0.536 nan 8.240 nan 0.000 0.437 1238 E N 0.844 121.043 120.200 -0.001 0.000 2.274 1238 E HA 0.027 4.377 4.350 -0.000 0.000 0.194 1238 E C 2.228 178.848 176.600 0.034 0.000 0.996 1238 E CA 0.925 57.335 56.400 0.017 0.000 0.840 1238 E CB -0.296 29.405 29.700 0.002 0.000 0.772 1238 E HN 0.161 nan 8.360 nan 0.000 0.491 1239 S N -0.094 115.630 115.700 0.039 0.000 2.382 1239 S HA -0.165 4.305 4.470 -0.000 0.000 0.228 1239 S C 1.690 176.365 174.600 0.125 0.000 1.027 1239 S CA 1.025 59.262 58.200 0.062 0.000 0.991 1239 S CB -0.385 62.850 63.200 0.059 0.000 0.823 1239 S HN 0.466 nan 8.310 nan 0.000 0.469 1240 H N 0.085 119.148 119.070 -0.012 0.000 2.299 1240 H HA -0.023 4.533 4.556 -0.000 0.000 0.302 1240 H C 2.481 177.802 175.328 -0.012 0.000 1.078 1240 H CA 1.085 57.127 56.048 -0.011 0.000 1.323 1240 H CB -0.160 29.598 29.762 -0.008 0.000 1.381 1240 H HN 0.465 nan 8.280 nan 0.000 0.498 1241 A N 0.585 123.485 122.820 0.132 0.000 1.908 1241 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 1241 A C 2.677 180.278 177.584 0.028 0.000 1.181 1241 A CA 1.554 53.628 52.037 0.062 0.000 0.627 1241 A CB -0.856 18.174 19.000 0.050 0.000 0.818 1241 A HN 0.206 nan 8.150 nan 0.000 0.445 1242 V N -0.199 119.730 119.914 0.024 0.000 2.295 1242 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 1242 V C 2.499 178.588 176.094 -0.008 0.000 1.049 1242 V CA 2.453 64.754 62.300 0.003 0.000 1.024 1242 V CB -0.673 31.147 31.823 -0.006 0.000 0.648 1242 V HN 0.590 nan 8.190 nan 0.000 0.447 1243 K N -0.171 120.224 120.400 -0.008 0.000 2.044 1243 K HA -0.202 4.118 4.320 -0.000 0.000 0.210 1243 K C 1.933 178.510 176.600 -0.039 0.000 1.049 1243 K CA 1.951 58.219 56.287 -0.031 0.000 0.927 1243 K CB -0.384 32.085 32.500 -0.051 0.000 0.713 1243 K HN 0.408 nan 8.250 nan 0.000 0.443 1244 I N -0.390 120.158 120.570 -0.037 0.000 2.226 1244 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 1244 I C 2.197 178.298 176.117 -0.026 0.000 1.100 1244 I CA 0.932 62.209 61.300 -0.037 0.000 1.374 1244 I CB -0.209 37.774 38.000 -0.028 0.000 1.057 1244 I HN 0.055 nan 8.210 nan 0.000 0.413 1245 V N 0.202 120.107 119.914 -0.015 0.000 2.427 1245 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 1245 V C 2.314 178.398 176.094 -0.016 0.000 1.051 1245 V CA 1.538 63.831 62.300 -0.011 0.000 1.048 1245 V CB 0.217 32.039 31.823 -0.001 0.000 0.666 1245 V HN 0.208 nan 8.190 nan 0.000 0.456 1246 V N 0.021 119.923 119.914 -0.020 0.000 2.379 1246 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 1246 V C 2.513 178.592 176.094 -0.025 0.000 1.044 1246 V CA 2.140 64.427 62.300 -0.021 0.000 1.036 1246 V CB -0.560 31.250 31.823 -0.023 0.000 0.664 1246 V HN 0.658 nan 8.190 nan 0.000 0.453 1247 E N 0.901 121.083 120.200 -0.030 0.000 2.150 1247 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 1247 E C 2.070 178.650 176.600 -0.034 0.000 0.985 1247 E CA 1.554 57.934 56.400 -0.034 0.000 0.814 1247 E CB -0.398 29.277 29.700 -0.041 0.000 0.752 1247 E HN 0.504 nan 8.360 nan 0.000 0.466 1248 A N 0.921 123.721 122.820 -0.033 0.000 1.873 1248 A HA -0.005 4.315 4.320 -0.000 0.000 0.215 1248 A C 2.484 180.049 177.584 -0.032 0.000 1.186 1248 A CA 2.005 54.020 52.037 -0.036 0.000 0.616 1248 A CB -1.130 17.850 19.000 -0.034 0.000 0.823 1248 A HN 0.384 nan 8.150 nan 0.000 0.442 1249 A N -0.244 122.560 122.820 -0.027 0.000 1.892 1249 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 1249 A C 2.218 179.785 177.584 -0.028 0.000 1.188 1249 A CA 2.058 54.078 52.037 -0.028 0.000 0.631 1249 A CB -0.567 18.418 19.000 -0.024 0.000 0.822 1249 A HN 0.535 nan 8.150 nan 0.000 0.447 1250 R N -0.826 119.659 120.500 -0.026 0.000 2.096 1250 R HA -0.165 4.175 4.340 -0.000 0.000 0.240 1250 R C 2.352 178.637 176.300 -0.025 0.000 1.139 1250 R CA 2.091 58.177 56.100 -0.024 0.000 0.952 1250 R CB -0.216 30.070 30.300 -0.024 0.000 0.854 1250 R HN 0.552 nan 8.270 nan 0.000 0.436 1251 R N -0.365 120.117 120.500 -0.029 0.000 2.236 1251 R HA 0.013 4.353 4.340 -0.000 0.000 0.208 1251 R C 1.439 177.721 176.300 -0.030 0.000 1.036 1251 R CA 0.643 56.725 56.100 -0.030 0.000 1.001 1251 R CB 0.139 30.417 30.300 -0.038 0.000 0.896 1251 R HN 0.214 nan 8.270 nan 0.000 0.464 1252 L N 0.398 121.603 121.223 -0.031 0.000 2.628 1252 L HA 0.194 4.534 4.340 -0.000 0.000 0.229 1252 L C 0.401 177.255 176.870 -0.027 0.000 1.137 1252 L CA -0.188 54.635 54.840 -0.029 0.000 0.909 1252 L CB 0.117 42.157 42.059 -0.032 0.000 1.137 1252 L HN 0.069 nan 8.230 nan 0.000 0.470 1253 L N 0.000 121.208 121.223 -0.025 0.000 2.949 1253 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1253 L CA 0.000 54.825 54.840 -0.024 0.000 0.813 1253 L CB 0.000 42.046 42.059 -0.022 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502