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 1iky_1_B DATA FIRST_RESID 1005 DATA SEQUENCE IETVPVKLKP GMDGPKVKQW PLTEEKIKAL VEICTEMEKE GKISKIGPEN DATA SEQUENCE PYNTPVFAIK KKDSTKWRKL VDFRELNKRT QDFWEVQLGI PHPAGLKKNK DATA SEQUENCE SVTVLDVGDA YFSVPLDEDF RKYTAFTIPS INNETPGIRY QYNVLPQGWK DATA SEQUENCE GSPAIFQSSM TKILEPFKKQ NPDIVIYQYM DDLYVGSDLE IGQHRTKIEE DATA SEQUENCE LRQHLLRWGL TTPXXXXXXX XXXXXXGYEL HPDKWTVQPI VLPEKDSWTV DATA SEQUENCE NDIQKLVGKL NWASQIYPGI KVRQLCKLLR GTKALTEVIP LTEEAELELA DATA SEQUENCE ENREILKEPV HGVYYDPSKD LIAEIQKQGQ GQWTYQIYQE PFKNLKTGKY DATA SEQUENCE ARXXXXXTND VKQLTEAVQK ITTESIVIWG KTPKFKLPIQ KETWETWWTE DATA SEQUENCE YWQATWIPEW EFVNTPPLVK LWY 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 1005 I HA 0.000 nan 4.170 nan 0.000 0.288 1005 I C 0.000 176.162 176.117 0.074 0.000 1.063 1005 I CA 0.000 61.346 61.300 0.076 0.000 1.566 1005 I CB 0.000 38.054 38.000 0.090 0.000 1.214 1006 E N 3.451 123.689 120.200 0.063 0.000 2.415 1006 E HA 0.283 4.633 4.350 -0.000 0.000 0.262 1006 E C 0.122 176.766 176.600 0.072 0.000 1.038 1006 E CA 0.243 56.680 56.400 0.061 0.000 0.921 1006 E CB 0.832 30.563 29.700 0.051 0.000 0.950 1006 E HN 0.715 nan 8.360 nan 0.000 0.438 1007 T N -1.805 112.793 114.554 0.074 0.000 2.934 1007 T HA 0.433 4.783 4.350 -0.000 0.000 0.283 1007 T C -0.082 174.665 174.700 0.079 0.000 1.005 1007 T CA -1.003 61.148 62.100 0.086 0.000 1.041 1007 T CB 1.122 70.043 68.868 0.089 0.000 1.042 1007 T HN 0.124 nan 8.240 nan 0.000 0.505 1008 V N 4.218 124.188 119.914 0.092 0.000 2.439 1008 V HA 0.423 4.543 4.120 -0.000 0.000 0.282 1008 V C -1.819 174.315 176.094 0.066 0.000 1.039 1008 V CA -1.859 60.498 62.300 0.096 0.000 0.913 1008 V CB 0.886 32.794 31.823 0.141 0.000 0.983 1008 V HN 0.868 nan 8.190 nan 0.000 0.460 1009 P HA 0.291 nan 4.420 nan 0.000 0.276 1009 P C -1.007 176.255 177.300 -0.064 0.000 1.235 1009 P CA -0.042 63.067 63.100 0.015 0.000 0.772 1009 P CB 1.424 33.147 31.700 0.038 0.000 0.871 1010 V N 3.518 123.311 119.914 -0.201 0.000 2.604 1010 V HA 0.558 4.678 4.120 -0.000 0.000 0.305 1010 V C 0.267 176.196 176.094 -0.275 0.000 1.043 1010 V CA -0.761 61.228 62.300 -0.518 0.000 0.888 1010 V CB 1.779 32.946 31.823 -1.094 0.000 0.995 1010 V HN 0.610 nan 8.190 nan 0.000 0.429 1011 K N 4.043 124.305 120.400 -0.230 0.000 2.378 1011 K HA 0.768 5.088 4.320 -0.000 0.000 0.252 1011 K C -1.223 175.365 176.600 -0.020 0.000 0.931 1011 K CA -0.827 55.442 56.287 -0.031 0.000 0.794 1011 K CB 2.417 34.927 32.500 0.017 0.000 1.181 1011 K HN 0.505 nan 8.250 nan 0.000 0.425 1012 L N 1.877 123.116 121.223 0.025 0.000 2.476 1012 L HA 0.205 4.545 4.340 -0.000 0.000 0.255 1012 L C 0.440 177.311 176.870 0.003 0.000 1.218 1012 L CA -0.625 54.212 54.840 -0.005 0.000 0.819 1012 L CB 0.387 42.366 42.059 -0.134 0.000 1.119 1012 L HN 0.578 nan 8.230 nan 0.000 0.485 1013 K N 2.959 123.361 120.400 0.003 0.000 2.351 1013 K HA 0.117 4.437 4.320 -0.000 0.000 0.287 1013 K C -2.156 174.443 176.600 -0.002 0.000 1.068 1013 K CA -1.463 54.824 56.287 0.001 0.000 0.998 1013 K CB -0.086 32.412 32.500 -0.003 0.000 0.968 1013 K HN 0.286 nan 8.250 nan 0.000 0.464 1014 P HA -0.174 nan 4.420 nan 0.000 0.261 1014 P C 0.700 178.006 177.300 0.010 0.000 1.165 1014 P CA 1.015 64.122 63.100 0.012 0.000 0.759 1014 P CB 0.760 32.470 31.700 0.016 0.000 0.772 1015 G N 2.399 111.208 108.800 0.015 0.000 2.313 1015 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 1015 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 1015 G C 0.117 175.027 174.900 0.017 0.000 1.023 1015 G CA -0.148 44.962 45.100 0.017 0.000 0.626 1015 G HN 0.493 nan 8.290 nan 0.000 0.503 1016 M N 0.979 120.582 119.600 0.006 0.000 2.409 1016 M HA 0.610 5.090 4.480 -0.000 0.000 0.329 1016 M C -0.139 176.149 176.300 -0.021 0.000 1.180 1016 M CA -0.477 54.823 55.300 -0.000 0.000 1.053 1016 M CB 1.464 34.060 32.600 -0.007 0.000 1.586 1016 M HN 0.236 nan 8.290 nan 0.000 0.461 1017 D N 0.279 120.674 120.400 -0.009 0.000 2.506 1017 D HA 0.569 5.209 4.640 -0.000 0.000 0.254 1017 D C -0.254 175.966 176.300 -0.134 0.000 1.089 1017 D CA -0.170 53.827 54.000 -0.005 0.000 1.050 1017 D CB 1.392 42.273 40.800 0.136 0.000 1.221 1017 D HN 0.656 nan 8.370 nan 0.000 0.589 1018 G N 0.099 108.750 108.800 -0.247 0.000 2.569 1018 G HA2 0.374 4.334 3.960 -0.000 0.000 0.249 1018 G HA3 0.374 4.334 3.960 -0.000 0.000 0.249 1018 G C -2.339 172.525 174.900 -0.059 0.000 1.216 1018 G CA -0.903 43.824 45.100 -0.622 0.000 0.845 1018 G HN 0.355 nan 8.290 nan 0.000 0.568 1019 P HA 0.123 nan 4.420 nan 0.000 0.262 1019 P C -0.370 177.090 177.300 0.266 0.000 1.182 1019 P CA 0.477 63.655 63.100 0.130 0.000 0.761 1019 P CB 0.448 32.217 31.700 0.116 0.000 0.795 1020 K N 1.963 122.486 120.400 0.204 0.000 3.146 1020 K HA 0.294 4.614 4.320 -0.000 0.000 0.168 1020 K C -1.098 175.578 176.600 0.126 0.000 1.075 1020 K CA -0.378 56.014 56.287 0.175 0.000 0.843 1020 K CB 0.905 33.494 32.500 0.149 0.000 1.002 1020 K HN 0.168 nan 8.250 nan 0.000 0.597 1021 V N 1.476 121.467 119.914 0.128 0.000 2.532 1021 V HA 0.271 4.391 4.120 -0.000 0.000 0.295 1021 V C 0.399 176.556 176.094 0.106 0.000 1.041 1021 V CA -0.908 61.464 62.300 0.121 0.000 0.926 1021 V CB 1.548 33.448 31.823 0.130 0.000 0.992 1021 V HN 0.378 nan 8.190 nan 0.000 0.457 1022 K N 2.035 122.501 120.400 0.111 0.000 2.219 1022 K HA 0.296 4.616 4.320 -0.000 0.000 0.258 1022 K C -0.207 176.454 176.600 0.102 0.000 1.008 1022 K CA -0.418 55.922 56.287 0.088 0.000 0.928 1022 K CB 0.451 33.001 32.500 0.083 0.000 0.983 1022 K HN 0.620 nan 8.250 nan 0.000 0.484 1023 Q N 2.392 122.223 119.800 0.052 0.000 2.340 1023 Q HA 0.049 4.389 4.340 -0.000 0.000 0.259 1023 Q C -1.348 174.694 176.000 0.070 0.000 0.964 1023 Q CA -0.467 55.355 55.803 0.030 0.000 0.900 1023 Q CB 0.581 29.302 28.738 -0.028 0.000 1.228 1023 Q HN 0.510 nan 8.270 nan 0.000 0.449 1024 W N 7.867 129.186 121.300 0.032 0.000 2.223 1024 W HA 0.179 4.839 4.660 -0.000 0.000 0.334 1024 W C -2.229 174.307 176.519 0.028 0.000 1.334 1024 W CA -1.540 55.866 57.345 0.101 0.000 1.246 1024 W CB 0.680 30.314 29.460 0.289 0.000 1.184 1024 W HN 0.584 nan 8.180 nan 0.000 0.563 1025 P HA 0.041 nan 4.420 nan 0.000 0.266 1025 P C -0.742 176.576 177.300 0.030 0.000 1.195 1025 P CA 0.627 63.606 63.100 -0.201 0.000 0.768 1025 P CB 1.003 32.497 31.700 -0.343 0.000 0.838 1026 L N 1.631 122.848 121.223 -0.009 0.000 2.303 1026 L HA 0.517 4.857 4.340 -0.000 0.000 0.266 1026 L C 1.246 178.076 176.870 -0.066 0.000 1.011 1026 L CA -0.904 53.932 54.840 -0.005 0.000 0.818 1026 L CB 1.735 43.776 42.059 -0.031 0.000 1.326 1026 L HN 0.361 nan 8.230 nan 0.000 0.435 1027 T N -3.702 110.798 114.554 -0.090 0.000 2.849 1027 T HA 0.148 4.498 4.350 -0.000 0.000 0.284 1027 T C 0.813 175.444 174.700 -0.114 0.000 1.004 1027 T CA -0.494 61.548 62.100 -0.097 0.000 1.021 1027 T CB 1.705 70.517 68.868 -0.093 0.000 1.013 1027 T HN 0.766 nan 8.240 nan 0.000 0.527 1028 E N 1.003 121.147 120.200 -0.094 0.000 2.035 1028 E HA -0.308 4.042 4.350 -0.000 0.000 0.204 1028 E C 1.978 178.490 176.600 -0.146 0.000 1.025 1028 E CA 2.207 58.548 56.400 -0.098 0.000 0.835 1028 E CB -0.297 29.364 29.700 -0.065 0.000 0.764 1028 E HN 0.920 nan 8.360 nan 0.000 0.457 1029 E N 0.416 120.527 120.200 -0.148 0.000 2.187 1029 E HA -0.260 4.090 4.350 -0.000 0.000 0.199 1029 E C 1.894 178.186 176.600 -0.512 0.000 1.004 1029 E CA 1.527 57.788 56.400 -0.232 0.000 0.813 1029 E CB -0.222 29.413 29.700 -0.107 0.000 0.736 1029 E HN 0.249 nan 8.360 nan 0.000 0.468 1030 K N 0.237 120.346 120.400 -0.485 0.000 2.243 1030 K HA 0.085 4.405 4.320 -0.000 0.000 0.201 1030 K C 2.074 178.453 176.600 -0.369 0.000 1.051 1030 K CA 0.706 56.633 56.287 -0.600 0.000 0.970 1030 K CB 0.089 32.343 32.500 -0.410 0.000 0.755 1030 K HN 0.197 nan 8.250 nan 0.000 0.465 1031 I N 1.367 121.790 120.570 -0.246 0.000 2.333 1031 I HA -0.224 3.946 4.170 -0.000 0.000 0.246 1031 I C 2.029 178.054 176.117 -0.155 0.000 1.106 1031 I CA 1.175 62.380 61.300 -0.159 0.000 1.411 1031 I CB -0.053 37.879 38.000 -0.114 0.000 1.082 1031 I HN 0.070 nan 8.210 nan 0.000 0.420 1032 K N 1.060 121.354 120.400 -0.177 0.000 2.026 1032 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 1032 K C 2.285 178.787 176.600 -0.163 0.000 1.048 1032 K CA 1.573 57.776 56.287 -0.140 0.000 0.929 1032 K CB -0.332 32.093 32.500 -0.124 0.000 0.713 1032 K HN 0.288 nan 8.250 nan 0.000 0.439 1033 A N 1.761 124.399 122.820 -0.304 0.000 1.865 1033 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 1033 A C 2.203 179.695 177.584 -0.154 0.000 1.191 1033 A CA 1.492 53.342 52.037 -0.311 0.000 0.623 1033 A CB -0.870 17.680 19.000 -0.750 0.000 0.826 1033 A HN 0.179 nan 8.150 nan 0.000 0.444 1034 L N 0.062 121.189 121.223 -0.160 0.000 2.079 1034 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 1034 L C 2.707 179.569 176.870 -0.013 0.000 1.081 1034 L CA 1.597 56.399 54.840 -0.063 0.000 0.752 1034 L CB -0.702 41.327 42.059 -0.050 0.000 0.896 1034 L HN 0.504 nan 8.230 nan 0.000 0.433 1035 V N -3.103 116.800 119.914 -0.017 0.000 2.427 1035 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 1035 V C 2.062 178.162 176.094 0.010 0.000 1.051 1035 V CA 1.488 63.801 62.300 0.021 0.000 1.048 1035 V CB -0.605 31.222 31.823 0.007 0.000 0.666 1035 V HN 0.449 nan 8.190 nan 0.000 0.456 1036 E N 0.750 120.945 120.200 -0.009 0.000 2.017 1036 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 1036 E C 2.227 178.825 176.600 -0.002 0.000 0.997 1036 E CA 2.063 58.462 56.400 -0.001 0.000 0.804 1036 E CB -0.338 29.365 29.700 0.005 0.000 0.757 1036 E HN 0.659 nan 8.360 nan 0.000 0.448 1037 I N 0.920 121.489 120.570 -0.001 0.000 2.091 1037 I HA -0.374 3.796 4.170 -0.000 0.000 0.239 1037 I C 2.639 178.721 176.117 -0.058 0.000 1.061 1037 I CA 1.033 62.330 61.300 -0.005 0.000 1.317 1037 I CB -0.456 37.553 38.000 0.015 0.000 1.031 1037 I HN 0.258 nan 8.210 nan 0.000 0.401 1038 C N 0.110 119.360 119.300 -0.084 0.000 2.419 1038 C HA -0.146 4.314 4.460 -0.000 0.000 0.281 1038 C C 3.034 177.902 174.990 -0.204 0.000 1.336 1038 C CA 1.345 60.220 59.018 -0.239 0.000 1.770 1038 C CB -1.204 26.380 27.740 -0.260 0.000 1.929 1038 C HN 0.539 nan 8.230 nan 0.000 0.509 1039 T N 0.010 114.533 114.554 -0.051 0.000 2.708 1039 T HA -0.179 4.170 4.350 -0.000 0.000 0.266 1039 T C 1.842 176.519 174.700 -0.038 0.000 1.037 1039 T CA 1.454 63.552 62.100 -0.003 0.000 1.146 1039 T CB -0.225 68.652 68.868 0.016 0.000 0.865 1039 T HN 0.633 nan 8.240 nan 0.000 0.435 1040 E N 0.307 120.482 120.200 -0.043 0.000 2.072 1040 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 1040 E C 2.184 178.739 176.600 -0.075 0.000 0.985 1040 E CA 0.914 57.290 56.400 -0.039 0.000 0.801 1040 E CB -0.125 29.565 29.700 -0.017 0.000 0.750 1040 E HN 0.492 nan 8.360 nan 0.000 0.452 1041 M N 0.208 119.731 119.600 -0.129 0.000 2.358 1041 M HA -0.167 4.313 4.480 -0.000 0.000 0.264 1041 M C 2.139 178.318 176.300 -0.201 0.000 1.064 1041 M CA 1.161 56.342 55.300 -0.199 0.000 1.093 1041 M CB -0.125 32.300 32.600 -0.293 0.000 1.401 1041 M HN 0.109 nan 8.290 nan 0.000 0.440 1042 E N 1.028 121.126 120.200 -0.169 0.000 2.060 1042 E HA -0.128 4.222 4.350 -0.000 0.000 0.189 1042 E C 1.789 178.359 176.600 -0.051 0.000 0.974 1042 E CA 0.867 57.204 56.400 -0.105 0.000 0.808 1042 E CB 0.182 29.868 29.700 -0.023 0.000 0.768 1042 E HN 0.362 nan 8.360 nan 0.000 0.453 1043 K N 0.508 120.886 120.400 -0.036 0.000 2.113 1043 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 1043 K C 1.802 178.390 176.600 -0.021 0.000 1.047 1043 K CA 1.751 58.026 56.287 -0.019 0.000 0.928 1043 K CB -0.065 32.428 32.500 -0.012 0.000 0.716 1043 K HN 0.230 nan 8.250 nan 0.000 0.446 1044 E N -0.464 119.714 120.200 -0.036 0.000 2.502 1044 E HA 0.009 4.359 4.350 -0.000 0.000 0.194 1044 E C 0.714 177.293 176.600 -0.034 0.000 1.062 1044 E CA 0.241 56.624 56.400 -0.028 0.000 0.867 1044 E CB 0.267 29.947 29.700 -0.034 0.000 0.888 1044 E HN 0.487 nan 8.360 nan 0.000 0.510 1045 G N 1.933 110.706 108.800 -0.045 0.000 2.168 1045 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.257 1045 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.257 1045 G C 0.835 175.701 174.900 -0.058 0.000 0.997 1045 G CA 0.893 45.970 45.100 -0.038 0.000 0.708 1045 G HN 0.288 nan 8.290 nan 0.000 0.520 1046 K N -0.537 119.788 120.400 -0.125 0.000 2.116 1046 K HA 0.247 4.567 4.320 -0.000 0.000 0.203 1046 K C 1.500 177.980 176.600 -0.201 0.000 1.052 1046 K CA 1.389 57.570 56.287 -0.176 0.000 0.952 1046 K CB 0.100 32.376 32.500 -0.374 0.000 0.729 1046 K HN 0.805 nan 8.250 nan 0.000 0.446 1047 I N -2.954 117.459 120.570 -0.261 0.000 3.002 1047 I HA 0.409 4.579 4.170 -0.000 0.000 0.310 1047 I C -1.069 174.986 176.117 -0.103 0.000 1.087 1047 I CA -1.005 60.125 61.300 -0.284 0.000 1.017 1047 I CB 2.552 40.241 38.000 -0.518 0.000 1.226 1047 I HN -0.309 nan 8.210 nan 0.000 0.443 1048 S N 1.974 117.674 115.700 0.001 0.000 2.571 1048 S HA 0.421 4.891 4.470 -0.000 0.000 0.284 1048 S C -0.699 173.960 174.600 0.098 0.000 1.128 1048 S CA -1.002 57.235 58.200 0.061 0.000 0.970 1048 S CB 1.699 64.902 63.200 0.005 0.000 1.039 1048 S HN 0.518 nan 8.310 nan 0.000 0.485 1049 K N 2.023 122.450 120.400 0.045 0.000 2.494 1049 K HA 0.235 4.555 4.320 -0.000 0.000 0.273 1049 K C -0.028 176.469 176.600 -0.172 0.000 0.970 1049 K CA 0.374 56.530 56.287 -0.218 0.000 0.963 1049 K CB 0.115 32.462 32.500 -0.255 0.000 0.913 1049 K HN 0.691 nan 8.250 nan 0.000 0.502 1050 I N -2.393 118.038 120.570 -0.233 0.000 2.969 1050 I HA 0.524 4.694 4.170 -0.000 0.000 0.307 1050 I C 0.185 176.204 176.117 -0.164 0.000 1.149 1050 I CA -1.124 60.079 61.300 -0.163 0.000 1.008 1050 I CB 2.032 39.948 38.000 -0.141 0.000 1.232 1050 I HN 0.545 nan 8.210 nan 0.000 0.435 1051 G N 1.826 110.552 108.800 -0.123 0.000 2.525 1051 G HA2 0.513 4.473 3.960 -0.000 0.000 0.287 1051 G HA3 0.513 4.473 3.960 -0.000 0.000 0.287 1051 G C -1.811 173.022 174.900 -0.111 0.000 1.350 1051 G CA -1.083 43.949 45.100 -0.113 0.000 1.039 1051 G HN 0.624 nan 8.290 nan 0.000 0.513 1052 P HA 0.016 nan 4.420 nan 0.000 0.245 1052 P C 1.160 178.401 177.300 -0.098 0.000 1.206 1052 P CA 0.581 63.623 63.100 -0.097 0.000 0.781 1052 P CB 0.312 31.960 31.700 -0.086 0.000 0.994 1053 E N -0.290 119.855 120.200 -0.091 0.000 2.463 1053 E HA -0.115 4.235 4.350 -0.000 0.000 0.201 1053 E C 0.254 176.787 176.600 -0.111 0.000 1.045 1053 E CA 0.444 56.790 56.400 -0.091 0.000 0.872 1053 E CB -0.842 28.813 29.700 -0.074 0.000 0.797 1053 E HN 0.155 nan 8.360 nan 0.000 0.538 1054 N N 2.162 120.792 118.700 -0.115 0.000 2.457 1054 N HA 0.108 4.848 4.740 -0.000 0.000 0.250 1054 N C -1.841 173.557 175.510 -0.188 0.000 0.982 1054 N CA -1.826 51.149 53.050 -0.124 0.000 0.941 1054 N CB 1.595 40.043 38.487 -0.066 0.000 1.120 1054 N HN -0.077 nan 8.380 nan 0.000 0.505 1055 P HA 0.073 nan 4.420 nan 0.000 0.255 1055 P C -0.596 176.475 177.300 -0.382 0.000 1.248 1055 P CA 0.232 63.093 63.100 -0.398 0.000 0.807 1055 P CB 0.126 31.532 31.700 -0.490 0.000 1.150 1056 Y N 0.765 121.072 120.300 0.011 0.000 2.403 1056 Y HA 0.567 5.117 4.550 -0.000 0.000 0.323 1056 Y C 0.884 176.807 175.900 0.039 0.000 1.226 1056 Y CA -0.706 57.420 58.100 0.045 0.000 1.235 1056 Y CB 0.654 39.164 38.460 0.084 0.000 1.248 1056 Y HN -0.132 nan 8.280 nan 0.000 0.489 1057 N N -1.062 117.790 118.700 0.252 0.000 2.504 1057 N HA 0.530 5.270 4.740 -0.000 0.000 0.268 1057 N C -1.899 173.712 175.510 0.168 0.000 1.184 1057 N CA -0.416 52.736 53.050 0.171 0.000 0.875 1057 N CB 1.904 40.452 38.487 0.101 0.000 1.630 1057 N HN 0.574 nan 8.380 nan 0.000 0.486 1058 T N 2.354 117.001 114.554 0.156 0.000 2.952 1058 T HA 0.563 4.913 4.350 -0.000 0.000 0.305 1058 T C -2.885 171.825 174.700 0.016 0.000 1.064 1058 T CA -0.865 61.286 62.100 0.085 0.000 1.008 1058 T CB 2.127 71.026 68.868 0.052 0.000 1.078 1058 T HN 0.383 nan 8.240 nan 0.000 0.459 1059 P HA 0.448 nan 4.420 nan 0.000 0.274 1059 P C -0.992 176.067 177.300 -0.402 0.000 1.237 1059 P CA -0.420 62.560 63.100 -0.200 0.000 0.793 1059 P CB 0.874 32.486 31.700 -0.145 0.000 0.977 1060 V N -1.565 117.985 119.914 -0.607 0.000 3.007 1060 V HA 0.757 4.877 4.120 -0.000 0.000 0.311 1060 V C -0.910 174.689 176.094 -0.825 0.000 1.120 1060 V CA -0.870 61.094 62.300 -0.560 0.000 0.980 1060 V CB 1.689 33.330 31.823 -0.304 0.000 1.033 1060 V HN 0.386 nan 8.190 nan 0.000 0.429 1061 F N 0.462 120.373 119.950 -0.065 0.000 2.664 1061 F HA 0.933 5.460 4.527 -0.000 0.000 0.317 1061 F C 0.239 175.996 175.800 -0.071 0.000 1.108 1061 F CA -0.598 57.345 58.000 -0.095 0.000 0.957 1061 F CB 2.145 41.037 39.000 -0.180 0.000 1.365 1061 F HN 0.863 nan 8.300 nan 0.000 0.475 1062 A N 1.925 124.828 122.820 0.139 0.000 2.318 1062 A HA 0.874 5.193 4.320 -0.000 0.000 0.317 1062 A C -0.737 177.017 177.584 0.284 0.000 1.159 1062 A CA -0.532 51.594 52.037 0.149 0.000 0.799 1062 A CB 0.480 19.437 19.000 -0.071 0.000 1.194 1062 A HN 0.740 nan 8.150 nan 0.000 0.479 1063 I N -1.283 119.464 120.570 0.294 0.000 3.436 1063 I HA 0.718 4.888 4.170 -0.000 0.000 0.300 1063 I C -0.608 175.582 176.117 0.121 0.000 1.131 1063 I CA -1.311 60.106 61.300 0.196 0.000 1.001 1063 I CB 1.628 39.698 38.000 0.117 0.000 1.305 1063 I HN 0.229 nan 8.210 nan 0.000 0.494 1064 K N 1.395 121.752 120.400 -0.072 0.000 2.166 1064 K HA 0.453 4.773 4.320 -0.000 0.000 0.245 1064 K C -0.333 176.180 176.600 -0.145 0.000 0.967 1064 K CA -0.835 55.328 56.287 -0.208 0.000 0.863 1064 K CB 2.021 34.331 32.500 -0.317 0.000 1.107 1064 K HN 0.474 nan 8.250 nan 0.000 0.436 1065 K N 1.334 121.642 120.400 -0.153 0.000 2.943 1065 K HA -0.006 4.314 4.320 -0.000 0.000 0.332 1065 K C 0.141 176.645 176.600 -0.161 0.000 1.060 1065 K CA 0.894 57.101 56.287 -0.134 0.000 1.052 1065 K CB 0.096 32.526 32.500 -0.117 0.000 1.033 1065 K HN 0.264 nan 8.250 nan 0.000 0.440 1066 K N 2.053 122.359 120.400 -0.156 0.000 3.006 1066 K HA 0.022 4.342 4.320 -0.000 0.000 0.265 1066 K C -1.118 175.396 176.600 -0.142 0.000 1.279 1066 K CA 0.383 56.566 56.287 -0.173 0.000 1.229 1066 K CB -0.266 32.136 32.500 -0.163 0.000 1.555 1066 K HN 0.423 nan 8.250 nan 0.000 0.300 1067 D N -0.206 120.105 120.400 -0.148 0.000 3.051 1067 D HA -0.139 4.501 4.640 -0.000 0.000 0.218 1067 D C 0.143 176.363 176.300 -0.133 0.000 1.129 1067 D CA 1.261 55.182 54.000 -0.132 0.000 0.868 1067 D CB -1.278 39.462 40.800 -0.100 0.000 1.100 1067 D HN 0.547 nan 8.370 nan 0.000 0.429 1068 S N -1.944 113.665 115.700 -0.151 0.000 2.647 1068 S HA 0.622 5.092 4.470 -0.000 0.000 0.284 1068 S C 1.656 176.137 174.600 -0.198 0.000 1.134 1068 S CA 0.450 58.565 58.200 -0.142 0.000 1.027 1068 S CB 1.385 64.515 63.200 -0.117 0.000 1.180 1068 S HN 0.159 nan 8.310 nan 0.000 0.521 1069 T N -2.749 111.699 114.554 -0.177 0.000 3.037 1069 T HA 0.280 4.630 4.350 -0.000 0.000 0.252 1069 T C 0.526 175.063 174.700 -0.270 0.000 1.073 1069 T CA -0.026 61.941 62.100 -0.222 0.000 1.091 1069 T CB -0.414 68.378 68.868 -0.126 0.000 0.935 1069 T HN 0.478 nan 8.240 nan 0.000 0.488 1070 K N 1.171 121.468 120.400 -0.171 0.000 2.412 1070 K HA 0.173 4.493 4.320 -0.000 0.000 0.281 1070 K C -1.103 175.426 176.600 -0.119 0.000 1.027 1070 K CA -0.429 55.805 56.287 -0.088 0.000 0.989 1070 K CB 0.344 32.827 32.500 -0.030 0.000 0.935 1070 K HN 0.385 nan 8.250 nan 0.000 0.475 1071 W N 3.723 125.014 121.300 -0.015 0.000 2.287 1071 W HA 0.210 4.870 4.660 -0.000 0.000 0.313 1071 W C 0.807 177.322 176.519 -0.007 0.000 1.267 1071 W CA -0.373 56.963 57.345 -0.015 0.000 1.201 1071 W CB 0.715 30.167 29.460 -0.012 0.000 1.196 1071 W HN 0.275 nan 8.180 nan 0.000 0.536 1072 R N 3.930 124.585 120.500 0.258 0.000 2.664 1072 R HA 0.346 4.686 4.340 -0.000 0.000 0.286 1072 R C -0.674 175.725 176.300 0.165 0.000 0.967 1072 R CA -0.902 55.294 56.100 0.159 0.000 0.933 1072 R CB 1.678 32.026 30.300 0.080 0.000 1.146 1072 R HN 0.567 nan 8.270 nan 0.000 0.468 1073 K N 3.114 123.589 120.400 0.126 0.000 2.205 1073 K HA 0.229 4.549 4.320 -0.000 0.000 0.279 1073 K C -1.103 175.555 176.600 0.097 0.000 1.027 1073 K CA -0.521 55.822 56.287 0.092 0.000 0.932 1073 K CB 0.692 33.228 32.500 0.060 0.000 1.032 1073 K HN 0.274 nan 8.250 nan 0.000 0.466 1074 L N 5.732 127.008 121.223 0.088 0.000 2.492 1074 L HA 0.279 4.619 4.340 -0.000 0.000 0.258 1074 L C -1.454 175.456 176.870 0.066 0.000 1.028 1074 L CA -0.568 54.345 54.840 0.122 0.000 0.900 1074 L CB 1.252 43.435 42.059 0.206 0.000 1.191 1074 L HN 0.387 nan 8.230 nan 0.000 0.459 1075 V N 2.739 122.597 119.914 -0.094 0.000 2.715 1075 V HA 0.172 4.292 4.120 -0.000 0.000 0.299 1075 V C 0.137 176.064 176.094 -0.278 0.000 1.054 1075 V CA -0.117 61.966 62.300 -0.362 0.000 1.077 1075 V CB 1.267 32.638 31.823 -0.753 0.000 0.972 1075 V HN 0.755 nan 8.190 nan 0.000 0.484 1076 D N 3.146 123.396 120.400 -0.250 0.000 2.485 1076 D HA 0.259 4.899 4.640 -0.000 0.000 0.221 1076 D C 0.066 176.289 176.300 -0.128 0.000 1.112 1076 D CA -0.360 53.626 54.000 -0.023 0.000 0.911 1076 D CB 0.308 41.257 40.800 0.249 0.000 1.019 1076 D HN 0.326 nan 8.370 nan 0.000 0.516 1077 F N 2.124 122.155 119.950 0.134 0.000 2.731 1077 F HA 0.265 4.792 4.527 -0.000 0.000 0.304 1077 F C 2.132 178.009 175.800 0.128 0.000 1.133 1077 F CA -0.330 57.751 58.000 0.134 0.000 1.380 1077 F CB -0.058 39.050 39.000 0.180 0.000 1.079 1077 F HN 0.254 nan 8.300 nan 0.000 0.550 1078 R N 0.672 121.300 120.500 0.213 0.000 2.162 1078 R HA -0.225 4.115 4.340 -0.000 0.000 0.245 1078 R C 2.303 178.701 176.300 0.164 0.000 1.129 1078 R CA 2.002 58.179 56.100 0.127 0.000 0.940 1078 R CB -0.274 30.022 30.300 -0.007 0.000 0.875 1078 R HN 0.084 nan 8.270 nan 0.000 0.437 1079 E N 0.133 120.428 120.200 0.159 0.000 2.005 1079 E HA -0.212 4.138 4.350 -0.000 0.000 0.198 1079 E C 1.951 178.671 176.600 0.200 0.000 1.010 1079 E CA 1.291 57.784 56.400 0.155 0.000 0.825 1079 E CB -0.681 29.101 29.700 0.136 0.000 0.769 1079 E HN 0.173 nan 8.360 nan 0.000 0.456 1080 L N 2.203 123.573 121.223 0.244 0.000 2.034 1080 L HA -0.266 4.074 4.340 -0.000 0.000 0.217 1080 L C 1.728 178.820 176.870 0.369 0.000 1.077 1080 L CA 1.905 56.894 54.840 0.247 0.000 0.769 1080 L CB -0.902 41.313 42.059 0.261 0.000 0.890 1080 L HN 0.089 nan 8.230 nan 0.000 0.435 1081 N N -0.035 118.923 118.700 0.430 0.000 2.091 1081 N HA -0.245 4.495 4.740 -0.000 0.000 0.193 1081 N C 1.828 177.709 175.510 0.618 0.000 1.021 1081 N CA 1.798 55.156 53.050 0.513 0.000 0.862 1081 N CB -0.266 38.370 38.487 0.249 0.000 1.018 1081 N HN 0.476 nan 8.380 nan 0.000 0.429 1082 K N 0.372 120.998 120.400 0.376 0.000 2.097 1082 K HA 0.044 4.364 4.320 -0.000 0.000 0.205 1082 K C 1.690 178.405 176.600 0.192 0.000 1.050 1082 K CA 0.789 57.237 56.287 0.268 0.000 0.938 1082 K CB 0.113 32.715 32.500 0.170 0.000 0.718 1082 K HN 0.094 nan 8.250 nan 0.000 0.442 1083 R N 0.050 120.657 120.500 0.178 0.000 2.307 1083 R HA 0.028 4.368 4.340 -0.000 0.000 0.199 1083 R C 1.267 177.646 176.300 0.132 0.000 1.000 1083 R CA 0.880 57.038 56.100 0.097 0.000 1.023 1083 R CB -0.186 30.126 30.300 0.020 0.000 0.908 1083 R HN 0.208 nan 8.270 nan 0.000 0.473 1084 T N 0.065 114.782 114.554 0.272 0.000 3.038 1084 T HA -0.032 4.318 4.350 -0.000 0.000 0.244 1084 T C 1.515 176.258 174.700 0.072 0.000 1.016 1084 T CA 0.166 62.465 62.100 0.331 0.000 1.098 1084 T CB 0.325 69.634 68.868 0.734 0.000 0.954 1084 T HN 0.186 nan 8.240 nan 0.000 0.469 1085 Q N 1.754 121.469 119.800 -0.141 0.000 2.440 1085 Q HA -0.427 3.913 4.340 -0.000 0.000 0.228 1085 Q C 1.803 177.247 176.000 -0.927 0.000 1.100 1085 Q CA 2.815 57.984 55.803 -1.056 0.000 0.991 1085 Q CB -0.676 27.768 28.738 -0.490 0.000 1.027 1085 Q HN 0.513 nan 8.270 nan 0.000 0.528 1086 D N -1.151 119.005 120.400 -0.406 0.000 2.268 1086 D HA -0.256 4.384 4.640 -0.000 0.000 0.189 1086 D C 1.659 177.828 176.300 -0.218 0.000 1.010 1086 D CA 2.189 56.037 54.000 -0.253 0.000 0.862 1086 D CB -0.492 40.248 40.800 -0.101 0.000 0.943 1086 D HN 0.431 nan 8.370 nan 0.000 0.451 1087 F N 2.073 121.873 119.950 -0.250 0.000 2.011 1087 F HA -0.215 4.312 4.527 -0.000 0.000 0.296 1087 F C 2.451 178.174 175.800 -0.129 0.000 1.144 1087 F CA 2.725 60.640 58.000 -0.142 0.000 1.185 1087 F CB -1.181 37.795 39.000 -0.040 0.000 0.961 1087 F HN 0.265 nan 8.300 nan 0.000 0.485 1088 W N 0.780 121.986 121.300 -0.156 0.000 2.961 1088 W HA 0.027 4.687 4.660 -0.000 0.000 0.240 1088 W C 1.447 177.826 176.519 -0.233 0.000 1.305 1088 W CA 0.844 57.984 57.345 -0.342 0.000 1.465 1088 W CB -0.926 28.394 29.460 -0.234 0.000 1.135 1088 W HN 0.399 nan 8.180 nan 0.000 0.688 1089 E N 1.408 121.377 120.200 -0.384 0.000 2.279 1089 E HA -0.123 4.227 4.350 -0.000 0.000 0.199 1089 E C 2.335 178.824 176.600 -0.186 0.000 0.893 1089 E CA 0.948 57.173 56.400 -0.290 0.000 0.978 1089 E CB -0.089 29.203 29.700 -0.680 0.000 0.964 1089 E HN 0.033 nan 8.360 nan 0.000 0.486 1090 V N -0.642 119.136 119.914 -0.228 0.000 2.391 1090 V HA -0.028 4.092 4.120 -0.000 0.000 0.237 1090 V C 2.353 178.358 176.094 -0.148 0.000 1.046 1090 V CA 1.424 63.634 62.300 -0.150 0.000 1.053 1090 V CB -0.924 30.821 31.823 -0.129 0.000 0.704 1090 V HN 0.257 nan 8.190 nan 0.000 0.475 1091 Q N 0.262 119.955 119.800 -0.179 0.000 2.029 1091 Q HA -0.138 4.202 4.340 -0.000 0.000 0.209 1091 Q C 1.165 177.031 176.000 -0.224 0.000 0.999 1091 Q CA 2.738 58.432 55.803 -0.182 0.000 0.857 1091 Q CB -0.138 28.486 28.738 -0.189 0.000 0.926 1091 Q HN 0.747 nan 8.270 nan 0.000 0.415 1092 L N 0.565 121.577 121.223 -0.351 0.000 3.083 1092 L HA 0.426 4.766 4.340 -0.000 0.000 0.286 1092 L C 0.573 177.323 176.870 -0.199 0.000 1.307 1092 L CA -0.589 54.074 54.840 -0.294 0.000 0.897 1092 L CB 0.613 42.419 42.059 -0.421 0.000 1.306 1092 L HN 0.169 nan 8.230 nan 0.000 0.569 1093 G N 0.798 109.529 108.800 -0.115 0.000 2.661 1093 G HA2 0.392 4.352 3.960 -0.000 0.000 0.272 1093 G HA3 0.392 4.352 3.960 -0.000 0.000 0.272 1093 G C -0.212 174.698 174.900 0.017 0.000 1.296 1093 G CA -0.109 44.982 45.100 -0.016 0.000 0.998 1093 G HN 0.256 nan 8.290 nan 0.000 0.553 1094 I N 0.775 121.400 120.570 0.092 0.000 2.529 1094 I HA 0.207 4.377 4.170 -0.000 0.000 0.284 1094 I C -2.258 173.990 176.117 0.218 0.000 1.088 1094 I CA -1.438 59.938 61.300 0.128 0.000 1.062 1094 I CB 2.288 40.364 38.000 0.125 0.000 1.218 1094 I HN 0.256 nan 8.210 nan 0.000 0.442 1095 P HA -0.029 nan 4.420 nan 0.000 0.265 1095 P C -0.693 176.730 177.300 0.205 0.000 1.187 1095 P CA 0.212 63.407 63.100 0.159 0.000 0.766 1095 P CB 0.280 32.032 31.700 0.088 0.000 0.820 1096 H N 4.740 123.806 119.070 -0.007 0.000 2.581 1096 H HA 0.242 4.798 4.556 -0.000 0.000 0.308 1096 H C -2.218 172.933 175.328 -0.295 0.000 1.040 1096 H CA -2.191 53.660 56.048 -0.329 0.000 1.231 1096 H CB 0.915 30.472 29.762 -0.341 0.000 1.396 1096 H HN 0.294 nan 8.280 nan 0.000 0.467 1097 P HA 0.081 nan 4.420 nan 0.000 0.271 1097 P C 0.390 177.389 177.300 -0.501 0.000 1.233 1097 P CA -0.222 62.598 63.100 -0.467 0.000 0.764 1097 P CB 1.008 32.502 31.700 -0.343 0.000 0.825 1098 A N 3.610 126.307 122.820 -0.204 0.000 2.209 1098 A HA 0.083 4.403 4.320 -0.000 0.000 0.212 1098 A C 2.105 179.607 177.584 -0.136 0.000 1.158 1098 A CA 1.263 53.232 52.037 -0.113 0.000 0.742 1098 A CB -0.886 18.094 19.000 -0.033 0.000 0.790 1098 A HN 0.630 nan 8.150 nan 0.000 0.472 1099 G N -0.489 108.218 108.800 -0.155 0.000 2.511 1099 G HA2 0.016 3.976 3.960 -0.000 0.000 0.217 1099 G HA3 0.016 3.976 3.960 -0.000 0.000 0.217 1099 G C 1.326 176.140 174.900 -0.144 0.000 1.133 1099 G CA 0.830 45.856 45.100 -0.123 0.000 0.792 1099 G HN 0.404 nan 8.290 nan 0.000 0.539 1100 L N 1.774 122.877 121.223 -0.201 0.000 2.042 1100 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 1100 L C 2.851 179.609 176.870 -0.186 0.000 1.076 1100 L CA 2.546 57.275 54.840 -0.185 0.000 0.749 1100 L CB -0.521 41.382 42.059 -0.259 0.000 0.893 1100 L HN 0.426 nan 8.230 nan 0.000 0.432 1101 K N -0.726 119.560 120.400 -0.191 0.000 2.280 1101 K HA -0.200 4.120 4.320 -0.000 0.000 0.202 1101 K C 1.750 178.229 176.600 -0.202 0.000 1.047 1101 K CA 1.627 57.797 56.287 -0.195 0.000 0.942 1101 K CB -0.220 32.175 32.500 -0.174 0.000 0.739 1101 K HN 0.362 nan 8.250 nan 0.000 0.457 1102 K N 0.552 120.854 120.400 -0.163 0.000 2.323 1102 K HA 0.058 4.378 4.320 -0.000 0.000 0.197 1102 K C -0.021 176.488 176.600 -0.152 0.000 1.043 1102 K CA -0.027 56.176 56.287 -0.139 0.000 0.997 1102 K CB -0.036 32.404 32.500 -0.099 0.000 0.807 1102 K HN 0.237 nan 8.250 nan 0.000 0.497 1103 N N 1.862 120.465 118.700 -0.162 0.000 2.345 1103 N HA -0.101 4.639 4.740 -0.000 0.000 0.243 1103 N C 0.735 176.138 175.510 -0.179 0.000 1.246 1103 N CA 0.182 53.141 53.050 -0.151 0.000 0.863 1103 N CB 0.564 38.971 38.487 -0.134 0.000 1.096 1103 N HN 0.039 nan 8.380 nan 0.000 0.446 1104 K N 0.424 120.738 120.400 -0.144 0.000 2.217 1104 K HA 0.015 4.335 4.320 -0.000 0.000 0.202 1104 K C -0.405 176.145 176.600 -0.082 0.000 1.051 1104 K CA 0.780 56.988 56.287 -0.132 0.000 0.952 1104 K CB 0.265 32.694 32.500 -0.117 0.000 0.736 1104 K HN 0.419 nan 8.250 nan 0.000 0.453 1105 S N -0.331 115.265 115.700 -0.173 0.000 2.546 1105 S HA 0.397 4.867 4.470 -0.000 0.000 0.272 1105 S C -1.534 172.846 174.600 -0.367 0.000 1.140 1105 S CA -0.857 57.195 58.200 -0.247 0.000 0.920 1105 S CB 2.509 65.448 63.200 -0.435 0.000 1.083 1105 S HN -0.087 nan 8.310 nan 0.000 0.476 1106 V N 2.653 122.389 119.914 -0.297 0.000 2.577 1106 V HA 0.558 4.678 4.120 -0.000 0.000 0.303 1106 V C -0.321 175.711 176.094 -0.103 0.000 1.042 1106 V CA -0.475 61.750 62.300 -0.125 0.000 0.872 1106 V CB 2.157 33.935 31.823 -0.074 0.000 0.998 1106 V HN 0.903 nan 8.190 nan 0.000 0.423 1107 T N 4.249 118.832 114.554 0.048 0.000 2.824 1107 T HA 0.614 4.964 4.350 -0.000 0.000 0.280 1107 T C -0.391 174.231 174.700 -0.130 0.000 0.995 1107 T CA -0.379 61.708 62.100 -0.022 0.000 1.009 1107 T CB 1.706 70.629 68.868 0.091 0.000 0.955 1107 T HN 0.360 nan 8.240 nan 0.000 0.452 1108 V N 4.932 124.730 119.914 -0.194 0.000 2.384 1108 V HA 0.502 4.622 4.120 -0.000 0.000 0.287 1108 V C -0.389 175.637 176.094 -0.113 0.000 1.020 1108 V CA -0.785 61.356 62.300 -0.264 0.000 0.850 1108 V CB 1.026 32.711 31.823 -0.231 0.000 0.987 1108 V HN 0.682 nan 8.190 nan 0.000 0.436 1109 L N 3.278 124.408 121.223 -0.155 0.000 2.346 1109 L HA 0.554 4.894 4.340 -0.000 0.000 0.276 1109 L C -0.395 176.398 176.870 -0.128 0.000 1.006 1109 L CA -0.656 54.116 54.840 -0.113 0.000 0.817 1109 L CB 2.041 44.034 42.059 -0.110 0.000 1.272 1109 L HN 0.528 nan 8.230 nan 0.000 0.421 1110 D N 2.133 122.458 120.400 -0.124 0.000 2.435 1110 D HA 0.148 4.788 4.640 -0.000 0.000 0.230 1110 D C 0.615 176.795 176.300 -0.199 0.000 1.215 1110 D CA -0.338 53.571 54.000 -0.151 0.000 0.947 1110 D CB 0.968 41.680 40.800 -0.146 0.000 1.048 1110 D HN 0.314 nan 8.370 nan 0.000 0.512 1111 V N 2.298 122.071 119.914 -0.235 0.000 3.292 1111 V HA 0.380 4.500 4.120 -0.000 0.000 0.372 1111 V C 1.614 177.357 176.094 -0.584 0.000 1.249 1111 V CA 0.233 62.338 62.300 -0.325 0.000 1.378 1111 V CB -0.051 31.613 31.823 -0.264 0.000 1.245 1111 V HN 0.418 nan 8.190 nan 0.000 0.467 1112 G N 0.935 109.420 108.800 -0.525 0.000 2.404 1112 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.215 1112 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.215 1112 G C 1.001 175.379 174.900 -0.871 0.000 1.174 1112 G CA 0.964 45.645 45.100 -0.698 0.000 0.780 1112 G HN 0.541 nan 8.290 nan 0.000 0.537 1113 D N 1.272 121.288 120.400 -0.639 0.000 2.190 1113 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 1113 D C 2.714 178.691 176.300 -0.539 0.000 0.992 1113 D CA 1.112 54.745 54.000 -0.612 0.000 0.854 1113 D CB -0.521 40.125 40.800 -0.257 0.000 0.936 1113 D HN 0.315 nan 8.370 nan 0.000 0.462 1114 A N 0.181 122.658 122.820 -0.572 0.000 1.958 1114 A HA -0.267 4.053 4.320 -0.000 0.000 0.221 1114 A C 1.998 179.289 177.584 -0.488 0.000 1.178 1114 A CA 1.393 53.112 52.037 -0.531 0.000 0.642 1114 A CB -1.228 17.304 19.000 -0.780 0.000 0.816 1114 A HN 0.465 nan 8.150 nan 0.000 0.453 1115 Y N -2.442 117.555 120.300 -0.505 0.000 2.373 1115 Y HA -0.100 4.450 4.550 -0.000 0.000 0.293 1115 Y C 1.753 177.735 175.900 0.136 0.000 1.129 1115 Y CA -0.074 57.870 58.100 -0.259 0.000 1.226 1115 Y CB -0.174 38.158 38.460 -0.213 0.000 1.000 1115 Y HN 0.290 nan 8.280 nan 0.000 0.549 1116 F N -0.157 119.881 119.950 0.146 0.000 2.664 1116 F HA -0.135 4.392 4.527 -0.000 0.000 0.297 1116 F C 1.793 177.688 175.800 0.159 0.000 1.164 1116 F CA 0.376 58.472 58.000 0.160 0.000 1.472 1116 F CB -0.874 38.197 39.000 0.118 0.000 1.108 1116 F HN -0.068 nan 8.300 nan 0.000 0.596 1117 S N -1.251 114.662 115.700 0.354 0.000 2.540 1117 S HA 0.176 4.646 4.470 -0.000 0.000 0.218 1117 S C 0.503 175.273 174.600 0.283 0.000 0.977 1117 S CA -0.041 58.331 58.200 0.287 0.000 0.918 1117 S CB 0.496 63.861 63.200 0.276 0.000 0.806 1117 S HN -0.082 nan 8.310 nan 0.000 0.496 1118 V N 5.135 125.240 119.914 0.317 0.000 2.357 1118 V HA 0.355 4.475 4.120 -0.000 0.000 0.284 1118 V C -2.347 173.893 176.094 0.244 0.000 1.018 1118 V CA -2.312 60.159 62.300 0.285 0.000 0.841 1118 V CB 1.371 33.403 31.823 0.348 0.000 0.991 1118 V HN 0.111 nan 8.190 nan 0.000 0.437 1119 P HA 0.123 nan 4.420 nan 0.000 0.269 1119 P C -0.757 176.647 177.300 0.174 0.000 1.215 1119 P CA -0.304 62.898 63.100 0.170 0.000 0.780 1119 P CB 1.414 33.193 31.700 0.132 0.000 0.898 1120 L N 2.222 123.549 121.223 0.172 0.000 2.295 1120 L HA 0.359 4.699 4.340 -0.000 0.000 0.285 1120 L C -0.015 176.938 176.870 0.138 0.000 1.035 1120 L CA -0.586 54.357 54.840 0.172 0.000 0.806 1120 L CB 0.501 42.677 42.059 0.196 0.000 1.214 1120 L HN 0.255 nan 8.230 nan 0.000 0.426 1121 D N 3.120 123.590 120.400 0.117 0.000 2.570 1121 D HA -0.096 4.544 4.640 -0.000 0.000 0.243 1121 D C 1.158 177.525 176.300 0.113 0.000 1.171 1121 D CA 0.584 54.642 54.000 0.098 0.000 0.879 1121 D CB 0.905 41.746 40.800 0.067 0.000 1.143 1121 D HN 0.642 nan 8.370 nan 0.000 0.511 1122 E N 3.157 123.405 120.200 0.080 0.000 2.136 1122 E HA -0.301 4.049 4.350 -0.000 0.000 0.202 1122 E C 0.891 177.514 176.600 0.037 0.000 1.019 1122 E CA 1.350 57.782 56.400 0.054 0.000 0.819 1122 E CB -0.356 29.366 29.700 0.037 0.000 0.739 1122 E HN 0.613 nan 8.360 nan 0.000 0.458 1123 D N -0.487 119.946 120.400 0.055 0.000 2.384 1123 D HA -0.075 4.565 4.640 -0.000 0.000 0.222 1123 D C 1.121 177.457 176.300 0.060 0.000 0.976 1123 D CA 0.525 54.551 54.000 0.043 0.000 0.915 1123 D CB -0.262 40.580 40.800 0.070 0.000 0.896 1123 D HN 0.215 nan 8.370 nan 0.000 0.523 1124 F N 0.442 120.339 119.950 -0.088 0.000 2.727 1124 F HA 0.191 4.718 4.527 -0.000 0.000 0.302 1124 F C 1.877 177.574 175.800 -0.172 0.000 1.107 1124 F CA -0.168 57.775 58.000 -0.095 0.000 1.277 1124 F CB 0.312 39.261 39.000 -0.085 0.000 1.079 1124 F HN -0.282 nan 8.300 nan 0.000 0.594 1125 R N 1.112 121.558 120.500 -0.090 0.000 2.170 1125 R HA -0.193 4.147 4.340 -0.000 0.000 0.242 1125 R C 2.010 178.177 176.300 -0.220 0.000 1.145 1125 R CA 1.793 57.826 56.100 -0.112 0.000 0.984 1125 R CB -0.515 29.780 30.300 -0.008 0.000 0.869 1125 R HN 0.402 nan 8.270 nan 0.000 0.455 1126 K N -0.452 119.726 120.400 -0.371 0.000 2.283 1126 K HA -0.120 4.200 4.320 -0.000 0.000 0.202 1126 K C 0.769 177.156 176.600 -0.356 0.000 1.048 1126 K CA 1.204 57.296 56.287 -0.325 0.000 0.948 1126 K CB -0.084 32.215 32.500 -0.334 0.000 0.742 1126 K HN 0.170 nan 8.250 nan 0.000 0.458 1127 Y N 2.354 122.361 120.300 -0.489 0.000 2.529 1127 Y HA 0.017 4.567 4.550 -0.000 0.000 0.290 1127 Y C 1.530 177.195 175.900 -0.391 0.000 1.177 1127 Y CA 0.666 58.363 58.100 -0.673 0.000 1.305 1127 Y CB -0.025 37.765 38.460 -1.118 0.000 1.047 1127 Y HN 0.269 nan 8.280 nan 0.000 0.522 1128 T N -2.872 111.636 114.554 -0.076 0.000 3.214 1128 T HA 0.608 4.958 4.350 -0.000 0.000 0.264 1128 T C 0.620 175.576 174.700 0.426 0.000 1.012 1128 T CA -0.228 62.011 62.100 0.232 0.000 0.901 1128 T CB -0.471 68.541 68.868 0.241 0.000 1.070 1128 T HN 0.148 nan 8.240 nan 0.000 0.561 1129 A N 1.896 124.870 122.820 0.256 0.000 2.440 1129 A HA 0.626 4.946 4.320 -0.000 0.000 0.251 1129 A C -0.136 177.625 177.584 0.294 0.000 1.089 1129 A CA -0.572 51.583 52.037 0.197 0.000 0.779 1129 A CB -0.318 18.743 19.000 0.101 0.000 1.022 1129 A HN 0.748 nan 8.150 nan 0.000 0.492 1130 F N -0.635 119.374 119.950 0.098 0.000 2.664 1130 F HA 0.850 5.377 4.527 -0.000 0.000 0.317 1130 F C -0.327 175.492 175.800 0.032 0.000 1.108 1130 F CA -0.942 57.087 58.000 0.048 0.000 0.957 1130 F CB 1.320 40.340 39.000 0.032 0.000 1.365 1130 F HN 0.332 nan 8.300 nan 0.000 0.475 1131 T N 2.178 116.820 114.554 0.146 0.000 2.861 1131 T HA 0.572 4.922 4.350 -0.000 0.000 0.287 1131 T C -0.650 174.096 174.700 0.077 0.000 1.003 1131 T CA -0.405 61.701 62.100 0.011 0.000 0.977 1131 T CB 1.566 70.416 68.868 -0.031 0.000 0.996 1131 T HN 0.582 nan 8.240 nan 0.000 0.448 1132 I N 5.731 126.327 120.570 0.045 0.000 2.297 1132 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 1132 I C -1.766 174.337 176.117 -0.024 0.000 1.033 1132 I CA -2.244 59.084 61.300 0.046 0.000 1.253 1132 I CB 1.376 39.428 38.000 0.086 0.000 1.396 1132 I HN 0.341 nan 8.210 nan 0.000 0.476 1133 P HA 0.163 nan 4.420 nan 0.000 0.277 1133 P C -0.654 176.608 177.300 -0.063 0.000 1.276 1133 P CA -0.256 62.807 63.100 -0.061 0.000 0.788 1133 P CB 1.035 32.693 31.700 -0.069 0.000 1.114 1134 S N -1.352 114.307 115.700 -0.068 0.000 2.634 1134 S HA 0.592 5.062 4.470 -0.000 0.000 0.296 1134 S C 0.054 174.613 174.600 -0.068 0.000 1.104 1134 S CA -0.996 57.164 58.200 -0.066 0.000 0.920 1134 S CB 0.634 63.796 63.200 -0.063 0.000 1.111 1134 S HN 0.292 nan 8.310 nan 0.000 0.493 1135 I N 2.164 122.696 120.570 -0.064 0.000 2.529 1135 I HA 0.232 4.402 4.170 -0.000 0.000 0.284 1135 I C 0.980 177.062 176.117 -0.058 0.000 1.082 1135 I CA 0.046 61.309 61.300 -0.063 0.000 1.406 1135 I CB 0.037 38.003 38.000 -0.057 0.000 1.405 1135 I HN 0.990 nan 8.210 nan 0.000 0.548 1136 N N 4.897 123.560 118.700 -0.061 0.000 2.714 1136 N HA -0.276 4.464 4.740 -0.000 0.000 0.250 1136 N C 0.160 175.636 175.510 -0.056 0.000 1.117 1136 N CA 1.081 54.098 53.050 -0.056 0.000 0.719 1136 N CB -0.991 37.469 38.487 -0.046 0.000 1.081 1136 N HN 0.843 nan 8.380 nan 0.000 0.557 1137 N N -1.428 117.234 118.700 -0.063 0.000 2.693 1137 N HA -0.267 4.473 4.740 -0.000 0.000 0.249 1137 N C 0.340 175.817 175.510 -0.055 0.000 1.119 1137 N CA 1.381 54.394 53.050 -0.062 0.000 0.717 1137 N CB -1.200 37.251 38.487 -0.061 0.000 1.071 1137 N HN 0.920 nan 8.380 nan 0.000 0.555 1138 E N -0.925 119.243 120.200 -0.052 0.000 2.533 1138 E HA 0.039 4.389 4.350 -0.000 0.000 0.201 1138 E C 0.028 176.598 176.600 -0.050 0.000 1.097 1138 E CA 0.620 56.992 56.400 -0.047 0.000 0.887 1138 E CB 0.311 29.985 29.700 -0.043 0.000 0.855 1138 E HN 0.180 nan 8.360 nan 0.000 0.540 1139 T N -0.133 114.387 114.554 -0.056 0.000 2.932 1139 T HA 0.210 4.560 4.350 -0.000 0.000 0.318 1139 T C -2.241 172.418 174.700 -0.068 0.000 1.265 1139 T CA -1.484 60.579 62.100 -0.061 0.000 1.036 1139 T CB 1.717 70.547 68.868 -0.064 0.000 1.209 1139 T HN -0.251 nan 8.240 nan 0.000 0.484 1140 P HA 0.136 nan 4.420 nan 0.000 0.216 1140 P C 0.424 177.672 177.300 -0.086 0.000 1.153 1140 P CA 1.358 64.412 63.100 -0.078 0.000 0.858 1140 P CB -0.016 31.633 31.700 -0.084 0.000 0.789 1141 G N -1.201 107.542 108.800 -0.096 0.000 2.764 1141 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.678 1141 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.678 1141 G C -1.012 173.802 174.900 -0.143 0.000 1.341 1141 G CA -0.972 44.066 45.100 -0.103 0.000 0.836 1141 G HN 0.075 nan 8.290 nan 0.000 0.632 1142 I N 2.871 123.347 120.570 -0.158 0.000 2.325 1142 I HA 0.393 4.563 4.170 -0.000 0.000 0.291 1142 I C 0.922 176.822 176.117 -0.362 0.000 1.019 1142 I CA -0.618 60.520 61.300 -0.269 0.000 1.302 1142 I CB 0.872 38.734 38.000 -0.231 0.000 1.401 1142 I HN 0.283 nan 8.210 nan 0.000 0.485 1143 R N 5.637 125.851 120.500 -0.477 0.000 2.598 1143 R HA 0.697 5.037 4.340 -0.000 0.000 0.279 1143 R C -1.333 174.526 176.300 -0.735 0.000 0.984 1143 R CA -0.867 54.940 56.100 -0.488 0.000 0.999 1143 R CB 1.963 32.074 30.300 -0.315 0.000 1.114 1143 R HN 0.429 nan 8.270 nan 0.000 0.493 1144 Y N -0.771 119.141 120.300 -0.648 0.000 2.725 1144 Y HA 0.207 4.757 4.550 -0.000 0.000 0.333 1144 Y C -0.534 175.041 175.900 -0.541 0.000 1.242 1144 Y CA -0.876 56.838 58.100 -0.643 0.000 1.059 1144 Y CB 2.007 39.931 38.460 -0.893 0.000 1.306 1144 Y HN 0.530 nan 8.280 nan 0.000 0.454 1145 Q N -0.580 119.174 119.800 -0.076 0.000 2.482 1145 Q HA 0.551 4.891 4.340 -0.000 0.000 0.286 1145 Q C -2.237 173.791 176.000 0.048 0.000 1.007 1145 Q CA -1.187 54.650 55.803 0.057 0.000 0.801 1145 Q CB 2.354 31.110 28.738 0.030 0.000 1.455 1145 Q HN 0.583 nan 8.270 nan 0.000 0.398 1146 Y N 1.381 121.783 120.300 0.169 0.000 2.316 1146 Y HA 0.251 4.801 4.550 -0.000 0.000 0.331 1146 Y C 0.877 176.823 175.900 0.077 0.000 1.083 1146 Y CA 0.057 58.238 58.100 0.135 0.000 1.206 1146 Y CB 1.068 39.630 38.460 0.170 0.000 1.195 1146 Y HN 0.706 nan 8.280 nan 0.000 0.497 1147 N N 1.217 120.026 118.700 0.181 0.000 2.439 1147 N HA 0.006 4.746 4.740 -0.000 0.000 0.176 1147 N C 0.194 175.818 175.510 0.190 0.000 1.029 1147 N CA 0.651 53.783 53.050 0.136 0.000 0.886 1147 N CB 0.313 38.841 38.487 0.069 0.000 1.057 1147 N HN 0.418 nan 8.380 nan 0.000 0.437 1148 V N -1.160 118.908 119.914 0.256 0.000 3.302 1148 V HA 0.452 4.572 4.120 -0.000 0.000 0.316 1148 V C 0.529 176.833 176.094 0.350 0.000 1.111 1148 V CA -1.092 61.383 62.300 0.291 0.000 1.029 1148 V CB 0.783 32.789 31.823 0.305 0.000 1.170 1148 V HN -0.103 nan 8.190 nan 0.000 0.452 1149 L N 3.276 124.707 121.223 0.347 0.000 2.477 1149 L HA 0.308 4.648 4.340 -0.000 0.000 0.272 1149 L C -1.974 175.083 176.870 0.313 0.000 1.157 1149 L CA -1.105 53.913 54.840 0.298 0.000 0.889 1149 L CB 0.545 42.728 42.059 0.208 0.000 1.158 1149 L HN 0.587 nan 8.230 nan 0.000 0.473 1150 P HA 0.125 nan 4.420 nan 0.000 0.279 1150 P C -0.539 176.843 177.300 0.136 0.000 1.252 1150 P CA -0.524 62.449 63.100 -0.212 0.000 0.811 1150 P CB 1.155 32.409 31.700 -0.743 0.000 1.035 1151 Q N 0.724 120.665 119.800 0.235 0.000 2.354 1151 Q HA 0.035 4.375 4.340 -0.000 0.000 0.203 1151 Q C 2.116 178.289 176.000 0.288 0.000 0.933 1151 Q CA 1.206 57.166 55.803 0.261 0.000 0.901 1151 Q CB -0.354 28.475 28.738 0.151 0.000 1.007 1151 Q HN 0.672 nan 8.270 nan 0.000 0.495 1152 G N 0.349 109.437 108.800 0.481 0.000 2.408 1152 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.215 1152 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.215 1152 G C -0.018 175.152 174.900 0.450 0.000 1.156 1152 G CA -0.440 45.015 45.100 0.592 0.000 0.793 1152 G HN 0.260 nan 8.290 nan 0.000 0.535 1153 W N 2.561 123.812 121.300 -0.082 0.000 2.347 1153 W HA 0.220 4.880 4.660 -0.000 0.000 0.333 1153 W C 1.191 177.519 176.519 -0.320 0.000 1.383 1153 W CA -0.576 56.519 57.345 -0.416 0.000 1.283 1153 W CB 0.615 29.622 29.460 -0.755 0.000 1.253 1153 W HN -0.016 nan 8.180 nan 0.000 0.563 1154 K N 3.697 123.645 120.400 -0.754 0.000 2.504 1154 K HA -0.032 4.288 4.320 -0.000 0.000 0.195 1154 K C 1.969 177.842 176.600 -1.212 0.000 1.036 1154 K CA 0.836 56.501 56.287 -1.037 0.000 0.984 1154 K CB -0.055 31.472 32.500 -1.621 0.000 0.788 1154 K HN 0.750 nan 8.250 nan 0.000 0.488 1155 G N 0.547 108.050 108.800 -2.162 0.000 2.421 1155 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 1155 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 1155 G C 1.494 175.589 174.900 -1.343 0.000 1.143 1155 G CA 0.251 43.989 45.100 -2.271 0.000 0.784 1155 G HN 0.140 nan 8.290 nan 0.000 0.541 1156 S N 1.617 116.691 115.700 -1.043 0.000 2.370 1156 S HA -0.082 4.388 4.470 -0.000 0.000 0.226 1156 S C 0.091 174.188 174.600 -0.839 0.000 1.033 1156 S CA 1.609 59.354 58.200 -0.760 0.000 1.011 1156 S CB -0.688 61.982 63.200 -0.884 0.000 0.852 1156 S HN 0.315 nan 8.310 nan 0.000 0.457 1157 P HA 0.014 nan 4.420 nan 0.000 0.215 1157 P C 1.558 178.752 177.300 -0.176 0.000 1.157 1157 P CA 1.366 64.275 63.100 -0.319 0.000 0.863 1157 P CB -0.142 31.411 31.700 -0.245 0.000 0.787 1158 A N -0.271 122.400 122.820 -0.248 0.000 1.859 1158 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 1158 A C 2.240 179.752 177.584 -0.121 0.000 1.198 1158 A CA 1.940 53.858 52.037 -0.197 0.000 0.629 1158 A CB -1.782 17.029 19.000 -0.315 0.000 0.830 1158 A HN 0.081 nan 8.150 nan 0.000 0.446 1159 I N -2.269 118.252 120.570 -0.081 0.000 2.099 1159 I HA -0.256 3.914 4.170 -0.000 0.000 0.239 1159 I C 2.311 178.465 176.117 0.061 0.000 1.066 1159 I CA 1.877 63.194 61.300 0.029 0.000 1.324 1159 I CB -0.396 37.663 38.000 0.098 0.000 1.037 1159 I HN 0.407 nan 8.210 nan 0.000 0.401 1160 F N 1.452 121.349 119.950 -0.089 0.000 2.583 1160 F HA -0.209 4.318 4.527 -0.000 0.000 0.297 1160 F C 2.469 178.261 175.800 -0.014 0.000 1.131 1160 F CA 1.107 59.100 58.000 -0.012 0.000 1.467 1160 F CB -0.394 38.646 39.000 0.066 0.000 1.097 1160 F HN 0.124 nan 8.300 nan 0.000 0.586 1161 Q N -0.291 119.535 119.800 0.043 0.000 2.173 1161 Q HA -0.241 4.099 4.340 -0.000 0.000 0.208 1161 Q C 2.280 178.207 176.000 -0.121 0.000 0.989 1161 Q CA 2.179 57.970 55.803 -0.019 0.000 0.872 1161 Q CB -0.121 28.597 28.738 -0.033 0.000 0.909 1161 Q HN 0.429 nan 8.270 nan 0.000 0.420 1162 S N 0.001 115.607 115.700 -0.156 0.000 2.348 1162 S HA -0.133 4.337 4.470 -0.000 0.000 0.221 1162 S C 2.043 176.472 174.600 -0.286 0.000 1.033 1162 S CA 1.425 59.520 58.200 -0.175 0.000 1.010 1162 S CB -0.262 62.859 63.200 -0.131 0.000 0.891 1162 S HN 0.358 nan 8.310 nan 0.000 0.442 1163 S N 1.293 116.698 115.700 -0.490 0.000 2.402 1163 S HA -0.013 4.457 4.470 -0.000 0.000 0.229 1163 S C 1.846 176.048 174.600 -0.662 0.000 1.021 1163 S CA 1.122 58.924 58.200 -0.663 0.000 0.974 1163 S CB -0.319 62.256 63.200 -1.043 0.000 0.800 1163 S HN 0.342 nan 8.310 nan 0.000 0.484 1164 M N 2.030 121.284 119.600 -0.577 0.000 2.132 1164 M HA -0.039 4.441 4.480 -0.000 0.000 0.263 1164 M C 1.996 178.171 176.300 -0.207 0.000 1.065 1164 M CA 1.606 56.768 55.300 -0.230 0.000 1.122 1164 M CB -1.389 31.240 32.600 0.050 0.000 1.365 1164 M HN 0.127 nan 8.290 nan 0.000 0.411 1165 T N 0.700 115.144 114.554 -0.183 0.000 2.788 1165 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 1165 T C 1.748 176.347 174.700 -0.169 0.000 1.044 1165 T CA 1.611 63.630 62.100 -0.134 0.000 1.139 1165 T CB -0.096 68.714 68.868 -0.096 0.000 0.867 1165 T HN 0.444 nan 8.240 nan 0.000 0.454 1166 K N 0.659 120.912 120.400 -0.246 0.000 1.984 1166 K HA 0.041 4.361 4.320 -0.000 0.000 0.209 1166 K C 2.215 178.595 176.600 -0.368 0.000 1.046 1166 K CA 1.220 57.350 56.287 -0.260 0.000 0.934 1166 K CB -0.403 31.917 32.500 -0.301 0.000 0.717 1166 K HN 0.276 nan 8.250 nan 0.000 0.438 1167 I N 1.600 121.762 120.570 -0.680 0.000 2.143 1167 I HA -0.350 3.820 4.170 -0.000 0.000 0.245 1167 I C 2.260 178.183 176.117 -0.324 0.000 1.068 1167 I CA 1.553 62.349 61.300 -0.841 0.000 1.326 1167 I CB -0.463 37.001 38.000 -0.894 0.000 1.028 1167 I HN 0.154 nan 8.210 nan 0.000 0.412 1168 L N -0.053 121.037 121.223 -0.222 0.000 2.240 1168 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 1168 L C 2.467 179.310 176.870 -0.045 0.000 1.106 1168 L CA 0.714 55.491 54.840 -0.104 0.000 0.793 1168 L CB -0.636 41.390 42.059 -0.055 0.000 0.927 1168 L HN 0.320 nan 8.230 nan 0.000 0.446 1169 E N 0.977 121.139 120.200 -0.064 0.000 2.110 1169 E HA -0.293 4.057 4.350 -0.000 0.000 0.225 1169 E C -0.517 176.076 176.600 -0.011 0.000 1.063 1169 E CA 2.566 58.949 56.400 -0.030 0.000 0.906 1169 E CB -0.803 28.879 29.700 -0.030 0.000 0.795 1169 E HN 0.266 nan 8.360 nan 0.000 0.479 1170 P HA -0.183 nan 4.420 nan 0.000 0.214 1170 P C 1.253 178.525 177.300 -0.047 0.000 1.163 1170 P CA 1.514 64.625 63.100 0.019 0.000 0.889 1170 P CB -0.294 31.476 31.700 0.116 0.000 0.790 1171 F N 0.947 120.688 119.950 -0.349 0.000 2.091 1171 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 1171 F C 2.004 177.714 175.800 -0.150 0.000 1.103 1171 F CA 1.806 59.597 58.000 -0.349 0.000 1.228 1171 F CB -0.525 38.184 39.000 -0.484 0.000 0.984 1171 F HN -0.231 nan 8.300 nan 0.000 0.477 1172 K N 0.145 120.530 120.400 -0.025 0.000 2.026 1172 K HA -0.241 4.079 4.320 -0.000 0.000 0.208 1172 K C 2.253 178.772 176.600 -0.134 0.000 1.048 1172 K CA 1.715 57.955 56.287 -0.079 0.000 0.929 1172 K CB -0.345 32.164 32.500 0.015 0.000 0.713 1172 K HN 0.235 nan 8.250 nan 0.000 0.439 1173 K N 1.290 121.637 120.400 -0.088 0.000 2.074 1173 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 1173 K C 1.968 178.506 176.600 -0.104 0.000 1.048 1173 K CA 1.726 57.969 56.287 -0.073 0.000 0.926 1173 K CB 0.077 32.555 32.500 -0.037 0.000 0.713 1173 K HN 0.190 nan 8.250 nan 0.000 0.444 1174 Q N -0.362 119.351 119.800 -0.145 0.000 2.378 1174 Q HA 0.024 4.364 4.340 -0.000 0.000 0.205 1174 Q C -0.209 175.653 176.000 -0.229 0.000 0.954 1174 Q CA 0.499 56.210 55.803 -0.153 0.000 0.901 1174 Q CB 0.382 29.049 28.738 -0.118 0.000 0.981 1174 Q HN 0.230 nan 8.270 nan 0.000 0.483 1175 N N 0.386 118.873 118.700 -0.355 0.000 2.790 1175 N HA 0.159 4.899 4.740 -0.000 0.000 0.256 1175 N C -2.457 172.900 175.510 -0.254 0.000 1.409 1175 N CA -0.940 51.886 53.050 -0.373 0.000 0.799 1175 N CB 1.534 39.594 38.487 -0.712 0.000 1.170 1175 N HN -0.019 nan 8.380 nan 0.000 0.507 1176 P HA -0.004 nan 4.420 nan 0.000 0.226 1176 P C 0.183 177.445 177.300 -0.063 0.000 1.153 1176 P CA 1.012 64.058 63.100 -0.090 0.000 0.777 1176 P CB 0.397 32.056 31.700 -0.068 0.000 0.794 1177 D N -0.676 119.685 120.400 -0.065 0.000 2.491 1177 D HA 0.200 4.840 4.640 -0.000 0.000 0.228 1177 D C 0.238 176.530 176.300 -0.014 0.000 1.183 1177 D CA 0.162 54.141 54.000 -0.036 0.000 0.827 1177 D CB 0.145 40.926 40.800 -0.032 0.000 0.989 1177 D HN 0.238 nan 8.370 nan 0.000 0.494 1178 I N 1.465 122.030 120.570 -0.007 0.000 2.418 1178 I HA 0.123 4.293 4.170 -0.000 0.000 0.287 1178 I C 0.002 176.166 176.117 0.078 0.000 1.008 1178 I CA -1.165 60.170 61.300 0.059 0.000 1.104 1178 I CB 2.326 40.390 38.000 0.107 0.000 1.264 1178 I HN -0.238 nan 8.210 nan 0.000 0.438 1179 V N 5.914 125.874 119.914 0.076 0.000 2.461 1179 V HA 0.527 4.647 4.120 -0.000 0.000 0.275 1179 V C -0.197 175.972 176.094 0.125 0.000 1.047 1179 V CA -0.183 62.157 62.300 0.067 0.000 0.955 1179 V CB 1.076 32.907 31.823 0.012 0.000 0.988 1179 V HN 0.493 nan 8.190 nan 0.000 0.471 1180 I N 6.358 127.008 120.570 0.135 0.000 2.411 1180 I HA 0.425 4.595 4.170 -0.000 0.000 0.284 1180 I C -1.129 175.121 176.117 0.223 0.000 1.012 1180 I CA -0.541 60.858 61.300 0.166 0.000 1.119 1180 I CB 1.558 39.639 38.000 0.135 0.000 1.261 1180 I HN 0.771 nan 8.210 nan 0.000 0.448 1181 Y N 6.507 126.875 120.300 0.115 0.000 2.393 1181 Y HA 0.450 5.000 4.550 -0.000 0.000 0.341 1181 Y C -0.627 175.416 175.900 0.238 0.000 0.988 1181 Y CA -0.951 57.217 58.100 0.113 0.000 1.078 1181 Y CB 1.679 40.149 38.460 0.017 0.000 1.203 1181 Y HN 0.540 nan 8.280 nan 0.000 0.453 1182 Q N 5.491 125.079 119.800 -0.352 0.000 2.322 1182 Q HA 0.382 4.721 4.340 -0.000 0.000 0.265 1182 Q C -2.327 173.395 176.000 -0.462 0.000 0.985 1182 Q CA -0.865 54.790 55.803 -0.247 0.000 0.849 1182 Q CB 1.461 30.168 28.738 -0.052 0.000 1.274 1182 Q HN 0.776 nan 8.270 nan 0.000 0.449 1183 Y N 5.196 125.329 120.300 -0.278 0.000 2.317 1183 Y HA 0.237 4.787 4.550 -0.000 0.000 0.325 1183 Y C -0.488 175.446 175.900 0.056 0.000 1.066 1183 Y CA -0.843 57.147 58.100 -0.184 0.000 1.203 1183 Y CB 1.246 39.589 38.460 -0.195 0.000 1.127 1183 Y HN 0.873 nan 8.280 nan 0.000 0.451 1184 M N 6.328 125.656 119.600 -0.453 0.000 3.374 1184 M HA -0.375 4.105 4.480 -0.000 0.000 0.163 1184 M C -0.346 175.982 176.300 0.048 0.000 1.401 1184 M CA 2.264 57.390 55.300 -0.289 0.000 0.887 1184 M CB -0.641 31.631 32.600 -0.546 0.000 1.285 1184 M HN 1.090 nan 8.290 nan 0.000 0.595 1185 D N -0.145 120.326 120.400 0.117 0.000 2.001 1185 D HA -0.152 4.488 4.640 -0.000 0.000 0.175 1185 D C -0.552 175.735 176.300 -0.022 0.000 1.313 1185 D CA 2.094 56.121 54.000 0.045 0.000 1.259 1185 D CB -0.402 40.434 40.800 0.060 0.000 1.284 1185 D HN 0.802 nan 8.370 nan 0.000 0.549 1186 D N 0.057 120.515 120.400 0.096 0.000 2.299 1186 D HA 0.525 5.165 4.640 -0.000 0.000 0.243 1186 D C -0.090 176.239 176.300 0.049 0.000 0.982 1186 D CA -0.431 53.595 54.000 0.042 0.000 0.924 1186 D CB 1.599 42.450 40.800 0.085 0.000 1.238 1186 D HN 0.018 nan 8.370 nan 0.000 0.484 1187 L N 1.746 122.921 121.223 -0.080 0.000 2.333 1187 L HA 0.334 4.674 4.340 -0.000 0.000 0.280 1187 L C -1.173 175.624 176.870 -0.121 0.000 1.004 1187 L CA -0.771 54.058 54.840 -0.019 0.000 0.820 1187 L CB 1.127 43.156 42.059 -0.049 0.000 1.247 1187 L HN 0.304 nan 8.230 nan 0.000 0.416 1188 Y N 3.074 123.413 120.300 0.066 0.000 2.335 1188 Y HA 0.442 4.992 4.550 -0.000 0.000 0.339 1188 Y C -0.054 175.902 175.900 0.093 0.000 0.987 1188 Y CA -0.711 57.451 58.100 0.103 0.000 1.140 1188 Y CB 1.882 40.456 38.460 0.189 0.000 1.173 1188 Y HN 0.135 nan 8.280 nan 0.000 0.486 1189 V N 3.503 123.509 119.914 0.153 0.000 2.409 1189 V HA 0.701 4.821 4.120 -0.000 0.000 0.290 1189 V C 0.124 176.341 176.094 0.205 0.000 1.017 1189 V CA -0.706 61.686 62.300 0.153 0.000 0.841 1189 V CB 1.394 33.261 31.823 0.073 0.000 1.003 1189 V HN 0.920 nan 8.190 nan 0.000 0.426 1190 G N 2.849 111.754 108.800 0.176 0.000 2.453 1190 G HA2 0.839 4.799 3.960 -0.000 0.000 0.323 1190 G HA3 0.839 4.799 3.960 -0.000 0.000 0.323 1190 G C -0.583 174.393 174.900 0.128 0.000 1.198 1190 G CA -0.170 45.002 45.100 0.120 0.000 0.959 1190 G HN 0.988 nan 8.290 nan 0.000 0.482 1191 S N -0.760 114.977 115.700 0.063 0.000 2.615 1191 S HA 0.495 4.965 4.470 -0.000 0.000 0.269 1191 S C -1.026 173.561 174.600 -0.022 0.000 1.161 1191 S CA -0.752 57.495 58.200 0.077 0.000 0.817 1191 S CB 2.182 65.532 63.200 0.251 0.000 1.131 1191 S HN 0.324 nan 8.310 nan 0.000 0.467 1192 D N 0.400 120.796 120.400 -0.006 0.000 2.395 1192 D HA 0.290 4.929 4.640 -0.000 0.000 0.213 1192 D C 0.020 176.310 176.300 -0.017 0.000 1.110 1192 D CA 0.002 53.981 54.000 -0.035 0.000 0.835 1192 D CB 0.032 40.811 40.800 -0.035 0.000 0.965 1192 D HN 0.255 nan 8.370 nan 0.000 0.505 1193 L N 1.467 122.705 121.223 0.024 0.000 2.476 1193 L HA 0.049 4.389 4.340 -0.000 0.000 0.264 1193 L C 1.263 178.152 176.870 0.031 0.000 1.224 1193 L CA -0.005 54.860 54.840 0.043 0.000 0.821 1193 L CB 0.259 42.375 42.059 0.095 0.000 1.101 1193 L HN -0.126 nan 8.230 nan 0.000 0.488 1194 E N 0.594 120.812 120.200 0.029 0.000 2.415 1194 E HA -0.065 4.285 4.350 -0.000 0.000 0.262 1194 E C 1.198 177.831 176.600 0.056 0.000 1.038 1194 E CA -0.276 56.136 56.400 0.019 0.000 0.921 1194 E CB 0.773 30.481 29.700 0.014 0.000 0.950 1194 E HN 0.452 nan 8.360 nan 0.000 0.438 1195 I N 3.190 123.785 120.570 0.041 0.000 2.103 1195 I HA -0.298 3.872 4.170 -0.000 0.000 0.241 1195 I C 2.063 178.255 176.117 0.125 0.000 1.036 1195 I CA 2.563 63.916 61.300 0.088 0.000 1.300 1195 I CB -0.859 37.175 38.000 0.057 0.000 1.010 1195 I HN 0.743 nan 8.210 nan 0.000 0.406 1196 G N -1.238 107.609 108.800 0.077 0.000 2.440 1196 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.218 1196 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.218 1196 G C 1.628 176.570 174.900 0.070 0.000 1.154 1196 G CA 0.887 46.027 45.100 0.065 0.000 0.767 1196 G HN 0.566 nan 8.290 nan 0.000 0.552 1197 Q N -0.827 119.017 119.800 0.074 0.000 2.167 1197 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 1197 Q C 2.188 178.245 176.000 0.095 0.000 0.970 1197 Q CA 1.507 57.352 55.803 0.069 0.000 0.855 1197 Q CB -0.110 28.663 28.738 0.058 0.000 0.911 1197 Q HN 0.769 nan 8.270 nan 0.000 0.438 1198 H N 0.218 119.311 119.070 0.037 0.000 2.256 1198 H HA -0.013 4.543 4.556 -0.000 0.000 0.301 1198 H C 1.926 177.286 175.328 0.053 0.000 1.062 1198 H CA 1.923 58.000 56.048 0.048 0.000 1.283 1198 H CB 0.061 29.848 29.762 0.041 0.000 1.379 1198 H HN 0.037 nan 8.280 nan 0.000 0.493 1199 R N -0.553 119.977 120.500 0.050 0.000 2.153 1199 R HA -0.180 4.160 4.340 -0.000 0.000 0.252 1199 R C 2.274 178.545 176.300 -0.048 0.000 1.158 1199 R CA 2.080 58.172 56.100 -0.015 0.000 0.975 1199 R CB -0.576 29.764 30.300 0.066 0.000 0.871 1199 R HN 0.448 nan 8.270 nan 0.000 0.450 1200 T N 0.700 115.250 114.554 -0.008 0.000 2.668 1200 T HA -0.109 4.241 4.350 -0.000 0.000 0.262 1200 T C 1.660 176.367 174.700 0.011 0.000 1.045 1200 T CA 1.156 63.261 62.100 0.008 0.000 1.152 1200 T CB -0.137 68.748 68.868 0.028 0.000 0.864 1200 T HN 0.055 nan 8.240 nan 0.000 0.419 1201 K N 0.920 121.331 120.400 0.018 0.000 2.144 1201 K HA -0.068 4.252 4.320 -0.000 0.000 0.209 1201 K C 1.979 178.628 176.600 0.082 0.000 1.047 1201 K CA 0.981 57.330 56.287 0.103 0.000 0.927 1201 K CB -0.666 31.891 32.500 0.096 0.000 0.716 1201 K HN 0.256 nan 8.250 nan 0.000 0.454 1202 I N 0.504 121.009 120.570 -0.109 0.000 2.202 1202 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 1202 I C 2.198 178.256 176.117 -0.099 0.000 1.091 1202 I CA 1.318 62.520 61.300 -0.163 0.000 1.368 1202 I CB -1.058 36.804 38.000 -0.229 0.000 1.058 1202 I HN 0.260 nan 8.210 nan 0.000 0.410 1203 E N 1.584 121.754 120.200 -0.050 0.000 2.038 1203 E HA -0.285 4.065 4.350 -0.000 0.000 0.195 1203 E C 2.103 178.701 176.600 -0.003 0.000 1.000 1203 E CA 1.967 58.352 56.400 -0.026 0.000 0.803 1203 E CB -0.368 29.328 29.700 -0.008 0.000 0.750 1203 E HN 0.447 nan 8.360 nan 0.000 0.448 1204 E N -0.715 119.518 120.200 0.055 0.000 2.114 1204 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 1204 E C 2.056 178.749 176.600 0.155 0.000 1.008 1204 E CA 1.456 57.938 56.400 0.137 0.000 0.810 1204 E CB -0.317 29.552 29.700 0.282 0.000 0.739 1204 E HN 0.325 nan 8.360 nan 0.000 0.456 1205 L N 1.068 122.266 121.223 -0.041 0.000 2.093 1205 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 1205 L C 2.123 178.931 176.870 -0.104 0.000 1.085 1205 L CA 1.638 56.279 54.840 -0.331 0.000 0.755 1205 L CB -0.245 41.330 42.059 -0.808 0.000 0.904 1205 L HN 0.004 nan 8.230 nan 0.000 0.435 1206 R N -1.002 119.450 120.500 -0.080 0.000 2.096 1206 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 1206 R C 2.199 178.497 176.300 -0.003 0.000 1.127 1206 R CA 1.299 57.372 56.100 -0.044 0.000 0.968 1206 R CB -0.387 29.886 30.300 -0.045 0.000 0.861 1206 R HN 0.458 nan 8.270 nan 0.000 0.440 1207 Q N -0.086 119.704 119.800 -0.017 0.000 2.084 1207 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 1207 Q C 2.055 178.027 176.000 -0.046 0.000 0.978 1207 Q CA 1.485 57.254 55.803 -0.057 0.000 0.844 1207 Q CB -0.360 28.305 28.738 -0.122 0.000 0.898 1207 Q HN 0.602 nan 8.270 nan 0.000 0.426 1208 H N 0.423 119.540 119.070 0.077 0.000 2.293 1208 H HA -0.047 4.508 4.556 -0.000 0.000 0.300 1208 H C 2.421 177.910 175.328 0.269 0.000 1.082 1208 H CA 1.123 57.279 56.048 0.179 0.000 1.308 1208 H CB -0.268 29.573 29.762 0.132 0.000 1.375 1208 H HN 0.160 nan 8.280 nan 0.000 0.495 1209 L N 0.269 121.648 121.223 0.260 0.000 1.990 1209 L HA -0.238 4.102 4.340 -0.000 0.000 0.213 1209 L C 2.742 179.749 176.870 0.228 0.000 1.072 1209 L CA 0.860 55.822 54.840 0.202 0.000 0.755 1209 L CB -0.483 41.610 42.059 0.057 0.000 0.889 1209 L HN 0.151 nan 8.230 nan 0.000 0.432 1210 L N -0.090 121.209 121.223 0.127 0.000 2.081 1210 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 1210 L C 2.553 179.469 176.870 0.077 0.000 1.080 1210 L CA 1.739 56.625 54.840 0.077 0.000 0.754 1210 L CB -0.517 41.556 42.059 0.024 0.000 0.893 1210 L HN 0.071 nan 8.230 nan 0.000 0.433 1211 R N -1.706 118.845 120.500 0.085 0.000 2.189 1211 R HA -0.111 4.229 4.340 -0.000 0.000 0.223 1211 R C 0.969 177.156 176.300 -0.189 0.000 1.092 1211 R CA 1.160 57.213 56.100 -0.078 0.000 0.989 1211 R CB -0.477 29.723 30.300 -0.167 0.000 0.876 1211 R HN 0.494 nan 8.270 nan 0.000 0.457 1212 W N 0.159 121.486 121.300 0.044 0.000 3.151 1212 W HA 0.428 5.088 4.660 -0.000 0.000 0.424 1212 W C 0.355 176.911 176.519 0.062 0.000 1.012 1212 W CA -0.119 57.263 57.345 0.062 0.000 2.018 1212 W CB -0.194 29.316 29.460 0.083 0.000 1.087 1212 W HN 0.083 nan 8.180 nan 0.000 0.740 1213 G N 2.235 111.136 108.800 0.169 0.000 2.487 1213 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.243 1213 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.243 1213 G C -1.307 173.665 174.900 0.119 0.000 0.918 1213 G CA -0.516 44.654 45.100 0.118 0.000 1.260 1213 G HN 0.225 nan 8.290 nan 0.000 0.408 1214 L N 1.934 123.206 121.223 0.081 0.000 2.849 1214 L HA 0.429 4.769 4.340 -0.000 0.000 0.256 1214 L C 0.810 177.681 176.870 0.002 0.000 0.951 1214 L CA 0.026 54.886 54.840 0.033 0.000 1.003 1214 L CB 1.192 43.284 42.059 0.056 0.000 1.408 1214 L HN 0.550 nan 8.230 nan 0.000 0.463 1215 T N 1.136 115.676 114.554 -0.025 0.000 2.895 1215 T HA 0.679 5.029 4.350 -0.000 0.000 0.386 1215 T C 0.253 174.923 174.700 -0.050 0.000 1.112 1215 T CA 0.341 62.422 62.100 -0.033 0.000 1.070 1215 T CB 0.442 69.288 68.868 -0.037 0.000 1.319 1215 T HN 0.782 nan 8.240 nan 0.000 0.519 1216 T N -2.417 112.105 114.554 -0.053 0.000 2.718 1216 T HA 0.525 4.875 4.350 -0.000 0.000 0.306 1216 T C -2.924 171.742 174.700 -0.057 0.000 1.485 1216 T CA -1.380 60.683 62.100 -0.061 0.000 0.997 1216 T CB -0.167 68.669 68.868 -0.054 0.000 1.504 1216 T HN 0.358 nan 8.240 nan 0.000 0.497 1232 Y N 0.224 120.504 120.300 -0.034 0.000 2.854 1232 Y HA -0.146 4.404 4.550 -0.000 0.000 0.032 1232 Y C -0.961 174.914 175.900 -0.042 0.000 2.186 1232 Y CA -0.215 57.861 58.100 -0.040 0.000 1.172 1232 Y CB -1.140 37.283 38.460 -0.061 0.000 1.865 1232 Y HN 0.763 nan 8.280 nan 0.000 0.288 1233 E N 6.796 126.861 120.200 -0.225 0.000 2.176 1233 E HA 0.688 5.038 4.350 -0.000 0.000 0.267 1233 E C -0.744 175.522 176.600 -0.556 0.000 0.893 1233 E CA -1.100 55.080 56.400 -0.366 0.000 0.761 1233 E CB 2.191 31.760 29.700 -0.219 0.000 1.133 1233 E HN 0.436 nan 8.360 nan 0.000 0.409 1234 L N 2.840 123.718 121.223 -0.576 0.000 2.325 1234 L HA 0.377 4.717 4.340 -0.000 0.000 0.278 1234 L C -0.065 176.425 176.870 -0.633 0.000 1.023 1234 L CA -0.900 53.670 54.840 -0.450 0.000 0.811 1234 L CB 1.049 42.988 42.059 -0.199 0.000 1.249 1234 L HN 0.490 nan 8.230 nan 0.000 0.431 1235 H N 2.217 121.151 119.070 -0.228 0.000 2.439 1235 H HA 0.208 4.764 4.556 -0.000 0.000 0.239 1235 H C -2.007 172.862 175.328 -0.766 0.000 1.432 1235 H CA -2.034 53.800 56.048 -0.357 0.000 1.373 1235 H CB 0.842 30.497 29.762 -0.178 0.000 1.463 1235 H HN 0.347 nan 8.280 nan 0.000 0.530 1236 P HA -0.222 nan 4.420 nan 0.000 0.215 1236 P C 1.622 178.416 177.300 -0.844 0.000 1.163 1236 P CA 1.634 63.726 63.100 -1.680 0.000 0.894 1236 P CB 0.307 31.398 31.700 -1.016 0.000 0.791 1237 D N -0.123 120.015 120.400 -0.435 0.000 2.354 1237 D HA -0.198 4.442 4.640 -0.000 0.000 0.216 1237 D C 0.774 177.003 176.300 -0.119 0.000 0.970 1237 D CA 1.147 55.021 54.000 -0.210 0.000 0.905 1237 D CB -0.574 40.133 40.800 -0.156 0.000 0.903 1237 D HN 0.246 nan 8.370 nan 0.000 0.508 1238 K N -0.239 120.076 120.400 -0.141 0.000 2.681 1238 K HA 0.095 4.415 4.320 -0.000 0.000 0.211 1238 K C -0.633 176.119 176.600 0.253 0.000 1.075 1238 K CA -0.529 55.779 56.287 0.034 0.000 1.141 1238 K CB 0.329 32.856 32.500 0.045 0.000 0.896 1238 K HN 0.064 nan 8.250 nan 0.000 0.470 1239 W N 0.815 122.133 121.300 0.029 0.000 2.417 1239 W HA 0.319 4.979 4.660 -0.000 0.000 0.315 1239 W C 0.429 176.964 176.519 0.028 0.000 1.045 1239 W CA -0.937 56.431 57.345 0.038 0.000 1.221 1239 W CB 1.257 30.729 29.460 0.020 0.000 1.309 1239 W HN -0.176 nan 8.180 nan 0.000 0.453 1240 T N 1.367 116.067 114.554 0.244 0.000 2.858 1240 T HA 0.694 5.044 4.350 -0.000 0.000 0.285 1240 T C -0.345 174.417 174.700 0.103 0.000 1.052 1240 T CA -0.419 61.769 62.100 0.146 0.000 1.009 1240 T CB 1.089 70.024 68.868 0.112 0.000 1.241 1240 T HN -0.002 nan 8.240 nan 0.000 0.542 1241 V N 2.145 122.106 119.914 0.078 0.000 3.264 1241 V HA 0.465 4.585 4.120 -0.000 0.000 0.304 1241 V C 0.042 176.162 176.094 0.044 0.000 1.086 1241 V CA -0.579 61.754 62.300 0.054 0.000 1.090 1241 V CB 1.098 32.959 31.823 0.063 0.000 1.112 1241 V HN 0.805 nan 8.190 nan 0.000 0.472 1242 Q N 1.995 121.810 119.800 0.025 0.000 2.571 1242 Q HA 0.423 4.763 4.340 -0.000 0.000 0.243 1242 Q C -2.655 173.381 176.000 0.061 0.000 1.055 1242 Q CA -1.929 53.897 55.803 0.039 0.000 0.815 1242 Q CB 0.809 29.545 28.738 -0.003 0.000 1.151 1242 Q HN 0.533 nan 8.270 nan 0.000 0.519 1243 P HA -0.036 nan 4.420 nan 0.000 0.269 1243 P C -0.576 176.733 177.300 0.015 0.000 1.205 1243 P CA 0.285 63.399 63.100 0.024 0.000 0.780 1243 P CB 0.547 32.257 31.700 0.016 0.000 0.858 1244 I N 1.442 121.967 120.570 -0.074 0.000 2.308 1244 I HA 0.078 4.248 4.170 -0.000 0.000 0.293 1244 I C 0.486 176.527 176.117 -0.127 0.000 1.078 1244 I CA -0.910 60.344 61.300 -0.076 0.000 1.292 1244 I CB 0.261 38.148 38.000 -0.188 0.000 1.423 1244 I HN 0.102 nan 8.210 nan 0.000 0.493 1245 V N 6.188 126.007 119.914 -0.159 0.000 2.585 1245 V HA 0.301 4.421 4.120 -0.000 0.000 0.296 1245 V C -0.091 175.853 176.094 -0.251 0.000 1.035 1245 V CA -0.222 61.960 62.300 -0.197 0.000 1.084 1245 V CB 0.613 32.306 31.823 -0.216 0.000 0.953 1245 V HN 0.517 nan 8.190 nan 0.000 0.483 1246 L N 5.088 126.223 121.223 -0.147 0.000 2.334 1246 L HA 0.641 4.981 4.340 -0.000 0.000 0.273 1246 L C -1.982 174.858 176.870 -0.051 0.000 1.013 1246 L CA -1.845 52.929 54.840 -0.109 0.000 0.816 1246 L CB 1.866 43.890 42.059 -0.058 0.000 1.278 1246 L HN 0.504 nan 8.230 nan 0.000 0.431 1247 P HA 0.247 nan 4.420 nan 0.000 0.275 1247 P C -1.180 176.205 177.300 0.142 0.000 1.266 1247 P CA -0.386 62.773 63.100 0.097 0.000 0.793 1247 P CB 0.465 32.298 31.700 0.223 0.000 1.074 1248 E N -0.635 119.618 120.200 0.088 0.000 3.124 1248 E HA 0.117 4.467 4.350 -0.000 0.000 0.331 1248 E C -0.735 175.764 176.600 -0.169 0.000 1.139 1248 E CA -0.337 56.055 56.400 -0.014 0.000 0.949 1248 E CB 0.660 30.350 29.700 -0.017 0.000 1.423 1248 E HN 0.260 nan 8.360 nan 0.000 0.388 1249 K N 0.892 121.039 120.400 -0.422 0.000 2.098 1249 K HA 0.196 4.516 4.320 -0.000 0.000 0.244 1249 K C 0.328 176.518 176.600 -0.684 0.000 1.014 1249 K CA -0.282 55.666 56.287 -0.565 0.000 0.917 1249 K CB 0.828 32.943 32.500 -0.641 0.000 1.072 1249 K HN 0.073 nan 8.250 nan 0.000 0.477 1250 D N -0.083 120.044 120.400 -0.455 0.000 2.197 1250 D HA -0.068 4.572 4.640 -0.000 0.000 0.212 1250 D C 0.904 176.962 176.300 -0.403 0.000 0.963 1250 D CA 0.626 54.413 54.000 -0.355 0.000 0.864 1250 D CB -0.032 40.650 40.800 -0.197 0.000 1.009 1250 D HN 0.330 nan 8.370 nan 0.000 0.479 1251 S N -1.495 114.011 115.700 -0.324 0.000 2.623 1251 S HA 0.464 4.934 4.470 -0.000 0.000 0.278 1251 S C -1.335 173.192 174.600 -0.120 0.000 1.148 1251 S CA -0.448 57.652 58.200 -0.166 0.000 1.028 1251 S CB 0.837 64.020 63.200 -0.028 0.000 1.145 1251 S HN 0.342 nan 8.310 nan 0.000 0.523 1252 W N -0.364 120.931 121.300 -0.009 0.000 4.071 1252 W HA 0.300 4.960 4.660 -0.000 0.000 0.274 1252 W C -0.747 175.767 176.519 -0.008 0.000 1.278 1252 W CA -0.995 56.344 57.345 -0.010 0.000 1.258 1252 W CB 1.334 30.787 29.460 -0.011 0.000 1.236 1252 W HN 0.896 nan 8.180 nan 0.000 0.530 1253 T N -1.785 112.904 114.554 0.225 0.000 2.927 1253 T HA 0.461 4.811 4.350 -0.000 0.000 0.286 1253 T C 0.379 175.061 174.700 -0.029 0.000 1.040 1253 T CA -0.619 61.529 62.100 0.080 0.000 1.010 1253 T CB 1.494 70.400 68.868 0.064 0.000 1.177 1253 T HN 0.143 nan 8.240 nan 0.000 0.546 1254 V N 1.322 121.217 119.914 -0.030 0.000 2.379 1254 V HA -0.082 4.038 4.120 -0.000 0.000 0.245 1254 V C 2.841 178.881 176.094 -0.089 0.000 1.044 1254 V CA 2.119 64.380 62.300 -0.065 0.000 1.036 1254 V CB -1.336 30.466 31.823 -0.036 0.000 0.664 1254 V HN 0.969 nan 8.190 nan 0.000 0.453 1255 N N 0.889 119.554 118.700 -0.058 0.000 2.069 1255 N HA -0.215 4.525 4.740 -0.000 0.000 0.191 1255 N C 1.524 176.975 175.510 -0.099 0.000 1.031 1255 N CA 2.049 55.065 53.050 -0.057 0.000 0.852 1255 N CB -0.312 38.160 38.487 -0.024 0.000 1.018 1255 N HN 0.480 nan 8.380 nan 0.000 0.423 1256 D N 0.044 120.368 120.400 -0.126 0.000 2.104 1256 D HA -0.169 4.471 4.640 -0.000 0.000 0.194 1256 D C 1.949 178.022 176.300 -0.378 0.000 0.994 1256 D CA 1.140 55.007 54.000 -0.221 0.000 0.830 1256 D CB -0.445 40.221 40.800 -0.224 0.000 0.959 1256 D HN 0.451 nan 8.370 nan 0.000 0.452 1257 I N 0.871 121.174 120.570 -0.446 0.000 2.394 1257 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 1257 I C 2.046 178.019 176.117 -0.241 0.000 1.136 1257 I CA 1.318 62.356 61.300 -0.436 0.000 1.425 1257 I CB -0.254 37.501 38.000 -0.408 0.000 1.079 1257 I HN -0.060 nan 8.210 nan 0.000 0.425 1258 Q N 0.633 120.330 119.800 -0.170 0.000 2.050 1258 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 1258 Q C 2.200 178.150 176.000 -0.084 0.000 0.980 1258 Q CA 1.960 57.702 55.803 -0.102 0.000 0.840 1258 Q CB -0.210 28.486 28.738 -0.071 0.000 0.898 1258 Q HN 0.580 nan 8.270 nan 0.000 0.424 1259 K N 0.728 121.072 120.400 -0.094 0.000 2.057 1259 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 1259 K C 2.133 178.683 176.600 -0.085 0.000 1.049 1259 K CA 0.852 57.097 56.287 -0.070 0.000 0.931 1259 K CB -0.232 32.220 32.500 -0.079 0.000 0.714 1259 K HN 0.130 nan 8.250 nan 0.000 0.440 1260 L N 1.041 122.177 121.223 -0.145 0.000 2.081 1260 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 1260 L C 2.175 178.992 176.870 -0.087 0.000 1.080 1260 L CA 1.144 55.895 54.840 -0.147 0.000 0.754 1260 L CB -0.111 41.801 42.059 -0.245 0.000 0.893 1260 L HN 0.020 nan 8.230 nan 0.000 0.433 1261 V N -0.799 119.067 119.914 -0.080 0.000 2.379 1261 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 1261 V C 2.565 178.663 176.094 0.007 0.000 1.044 1261 V CA 1.647 63.922 62.300 -0.041 0.000 1.036 1261 V CB -1.178 30.615 31.823 -0.051 0.000 0.664 1261 V HN 0.592 nan 8.190 nan 0.000 0.453 1262 G N -0.065 108.748 108.800 0.021 0.000 2.446 1262 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.217 1262 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.217 1262 G C 1.649 176.662 174.900 0.189 0.000 1.168 1262 G CA 1.282 46.437 45.100 0.092 0.000 0.771 1262 G HN 0.488 nan 8.290 nan 0.000 0.551 1263 K N -0.029 120.447 120.400 0.128 0.000 2.025 1263 K HA 0.072 4.392 4.320 -0.000 0.000 0.207 1263 K C 2.590 179.299 176.600 0.181 0.000 1.049 1263 K CA 0.783 57.160 56.287 0.151 0.000 0.933 1263 K CB -0.296 32.199 32.500 -0.008 0.000 0.714 1263 K HN 0.328 nan 8.250 nan 0.000 0.438 1264 L N 1.333 122.605 121.223 0.083 0.000 2.042 1264 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 1264 L C 2.408 179.340 176.870 0.103 0.000 1.076 1264 L CA 1.722 56.599 54.840 0.061 0.000 0.749 1264 L CB -0.678 41.388 42.059 0.012 0.000 0.893 1264 L HN 0.404 nan 8.230 nan 0.000 0.432 1265 N N -0.616 118.148 118.700 0.106 0.000 2.104 1265 N HA -0.280 4.460 4.740 -0.000 0.000 0.190 1265 N C 1.825 177.418 175.510 0.138 0.000 1.024 1265 N CA 1.439 54.538 53.050 0.080 0.000 0.853 1265 N CB -0.246 38.262 38.487 0.035 0.000 1.008 1265 N HN 0.334 nan 8.380 nan 0.000 0.424 1266 W N 1.296 122.631 121.300 0.058 0.000 2.353 1266 W HA 0.036 4.696 4.660 -0.000 0.000 0.319 1266 W C 1.546 178.173 176.519 0.180 0.000 1.207 1266 W CA 1.776 59.200 57.345 0.131 0.000 1.291 1266 W CB -1.081 28.503 29.460 0.208 0.000 1.159 1266 W HN 0.203 nan 8.180 nan 0.000 0.478 1267 A N 0.325 123.417 122.820 0.454 0.000 2.142 1267 A HA 0.039 4.359 4.320 -0.000 0.000 0.208 1267 A C 1.635 179.316 177.584 0.160 0.000 1.344 1267 A CA 1.442 53.602 52.037 0.204 0.000 1.045 1267 A CB -0.557 18.428 19.000 -0.025 0.000 0.784 1267 A HN 0.199 nan 8.150 nan 0.000 0.509 1268 S N -1.093 114.706 115.700 0.165 0.000 2.564 1268 S HA -0.012 4.458 4.470 -0.000 0.000 0.231 1268 S C 1.684 176.337 174.600 0.087 0.000 1.067 1268 S CA 0.136 58.396 58.200 0.100 0.000 0.908 1268 S CB 0.001 63.232 63.200 0.052 0.000 0.809 1268 S HN 0.762 nan 8.310 nan 0.000 0.491 1269 Q N 0.380 120.228 119.800 0.079 0.000 2.436 1269 Q HA 0.237 4.577 4.340 -0.000 0.000 0.209 1269 Q C 0.176 176.231 176.000 0.092 0.000 0.965 1269 Q CA 0.603 56.424 55.803 0.029 0.000 0.910 1269 Q CB 0.367 29.061 28.738 -0.073 0.000 0.980 1269 Q HN 0.474 nan 8.270 nan 0.000 0.491 1270 I N -1.280 119.401 120.570 0.184 0.000 2.619 1270 I HA 0.142 4.312 4.170 -0.000 0.000 0.292 1270 I C -1.480 174.839 176.117 0.337 0.000 1.100 1270 I CA -1.084 60.342 61.300 0.209 0.000 1.043 1270 I CB 1.407 39.596 38.000 0.316 0.000 1.239 1270 I HN 0.173 nan 8.210 nan 0.000 0.420 1271 Y N 5.084 125.384 120.300 -0.001 0.000 2.991 1271 Y HA -0.108 4.442 4.550 -0.000 0.000 0.124 1271 Y C -2.277 173.623 175.900 0.000 0.000 2.010 1271 Y CA -0.381 57.714 58.100 -0.009 0.000 1.007 1271 Y CB -1.789 36.647 38.460 -0.040 0.000 1.603 1271 Y HN 0.403 nan 8.280 nan 0.000 0.346 1272 P HA 0.273 nan 4.420 nan 0.000 0.262 1272 P C 1.062 178.387 177.300 0.041 0.000 1.199 1272 P CA 1.779 64.909 63.100 0.050 0.000 0.763 1272 P CB 1.144 32.854 31.700 0.016 0.000 0.790 1273 G N 3.575 112.397 108.800 0.036 0.000 2.164 1273 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.154 1273 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.154 1273 G C 0.170 175.087 174.900 0.028 0.000 1.014 1273 G CA -0.550 44.564 45.100 0.023 0.000 0.683 1273 G HN 0.479 nan 8.290 nan 0.000 0.500 1274 I N 1.749 122.343 120.570 0.040 0.000 2.330 1274 I HA 0.174 4.344 4.170 -0.000 0.000 0.280 1274 I C 1.083 177.210 176.117 0.016 0.000 1.069 1274 I CA -0.587 60.730 61.300 0.028 0.000 1.873 1274 I CB -0.336 37.684 38.000 0.032 0.000 1.476 1274 I HN 0.151 nan 8.210 nan 0.000 0.813 1275 K N 2.921 123.327 120.400 0.010 0.000 2.466 1275 K HA -0.007 4.313 4.320 -0.000 0.000 0.278 1275 K C 0.963 177.564 176.600 0.001 0.000 1.048 1275 K CA 0.320 56.609 56.287 0.004 0.000 1.088 1275 K CB 0.592 33.093 32.500 0.002 0.000 0.884 1275 K HN 0.377 nan 8.250 nan 0.000 0.478 1276 V N 1.688 121.601 119.914 -0.002 0.000 3.612 1276 V HA 0.213 4.333 4.120 -0.000 0.000 0.268 1276 V C 2.044 178.131 176.094 -0.012 0.000 1.365 1276 V CA 0.369 62.665 62.300 -0.007 0.000 1.044 1276 V CB -0.261 31.559 31.823 -0.005 0.000 0.820 1276 V HN 0.791 nan 8.190 nan 0.000 0.444 1277 R N 0.996 121.490 120.500 -0.010 0.000 2.136 1277 R HA -0.275 4.065 4.340 -0.000 0.000 0.242 1277 R C 2.437 178.730 176.300 -0.012 0.000 1.131 1277 R CA 3.084 59.177 56.100 -0.012 0.000 0.937 1277 R CB -0.488 29.806 30.300 -0.010 0.000 0.863 1277 R HN 0.703 nan 8.270 nan 0.000 0.435 1278 Q N -0.260 119.534 119.800 -0.009 0.000 2.133 1278 Q HA -0.228 4.112 4.340 -0.000 0.000 0.208 1278 Q C 2.118 178.111 176.000 -0.011 0.000 0.991 1278 Q CA 1.679 57.478 55.803 -0.007 0.000 0.867 1278 Q CB -0.247 28.489 28.738 -0.003 0.000 0.911 1278 Q HN 0.291 nan 8.270 nan 0.000 0.417 1279 L N 0.014 121.228 121.223 -0.015 0.000 2.217 1279 L HA 0.007 4.347 4.340 -0.000 0.000 0.211 1279 L C 1.173 178.022 176.870 -0.035 0.000 1.107 1279 L CA 0.876 55.702 54.840 -0.024 0.000 0.783 1279 L CB -0.247 41.794 42.059 -0.029 0.000 0.919 1279 L HN 0.280 nan 8.230 nan 0.000 0.442 1280 C N -0.230 119.052 119.300 -0.030 0.000 2.480 1280 C HA 0.210 4.670 4.460 -0.000 0.000 0.344 1280 C C 2.046 177.020 174.990 -0.027 0.000 1.380 1280 C CA 0.030 59.028 59.018 -0.033 0.000 2.386 1280 C CB 0.524 28.248 27.740 -0.028 0.000 2.210 1280 C HN 0.754 nan 8.230 nan 0.000 0.640 1281 K N -0.438 119.946 120.400 -0.027 0.000 3.495 1281 K HA -0.242 4.078 4.320 -0.000 0.000 0.315 1281 K C -0.655 175.932 176.600 -0.021 0.000 1.301 1281 K CA 0.833 57.107 56.287 -0.022 0.000 0.985 1281 K CB -1.188 31.302 32.500 -0.017 0.000 1.244 1281 K HN 0.542 nan 8.250 nan 0.000 0.433 1282 L N 1.948 123.154 121.223 -0.028 0.000 2.313 1282 L HA 0.253 4.593 4.340 -0.000 0.000 0.282 1282 L C -0.100 176.752 176.870 -0.031 0.000 1.092 1282 L CA 0.419 55.243 54.840 -0.027 0.000 0.831 1282 L CB 0.723 42.762 42.059 -0.034 0.000 1.159 1282 L HN 0.222 nan 8.230 nan 0.000 0.442 1283 L N 5.071 126.282 121.223 -0.020 0.000 3.790 1283 L HA -0.268 4.072 4.340 -0.000 0.000 0.602 1283 L C 0.185 177.041 176.870 -0.024 0.000 1.172 1283 L CA 0.701 55.530 54.840 -0.019 0.000 0.901 1283 L CB -1.524 40.523 42.059 -0.021 0.000 1.342 1283 L HN 0.595 nan 8.230 nan 0.000 0.820 1284 R N 0.905 121.394 120.500 -0.019 0.000 3.067 1284 R HA 0.935 5.275 4.340 -0.000 0.000 0.222 1284 R C 1.237 177.529 176.300 -0.014 0.000 1.551 1284 R CA -0.310 55.778 56.100 -0.019 0.000 1.034 1284 R CB 0.076 30.364 30.300 -0.019 0.000 1.889 1284 R HN 0.461 nan 8.270 nan 0.000 0.526 1285 G N -0.803 107.989 108.800 -0.014 0.000 3.146 1285 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.242 1285 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.242 1285 G C -0.572 174.322 174.900 -0.010 0.000 1.853 1285 G CA 0.146 45.239 45.100 -0.011 0.000 1.465 1285 G HN 0.559 nan 8.290 nan 0.000 0.537 1286 T N 1.580 116.128 114.554 -0.009 0.000 4.024 1286 T HA 0.320 4.670 4.350 -0.000 0.000 0.193 1286 T C -0.329 174.367 174.700 -0.007 0.000 0.697 1286 T CA -0.167 61.927 62.100 -0.009 0.000 1.393 1286 T CB 0.326 69.190 68.868 -0.007 0.000 0.962 1286 T HN 0.647 nan 8.240 nan 0.000 0.583 1287 K N 1.077 121.471 120.400 -0.009 0.000 2.148 1287 K HA 0.859 5.179 4.320 -0.000 0.000 0.239 1287 K C 0.610 177.207 176.600 -0.005 0.000 1.018 1287 K CA -0.861 55.422 56.287 -0.006 0.000 0.923 1287 K CB 0.922 33.417 32.500 -0.007 0.000 1.117 1287 K HN 0.423 nan 8.250 nan 0.000 0.477 1288 A N 0.916 123.735 122.820 -0.002 0.000 2.332 1288 A HA 0.183 4.503 4.320 -0.000 0.000 0.258 1288 A C 1.074 178.657 177.584 -0.002 0.000 1.087 1288 A CA -0.262 51.775 52.037 -0.000 0.000 0.802 1288 A CB 0.010 19.012 19.000 0.003 0.000 1.042 1288 A HN 0.742 nan 8.150 nan 0.000 0.489 1289 L N 0.728 121.950 121.223 -0.002 0.000 2.109 1289 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 1289 L C 2.478 179.350 176.870 0.003 0.000 1.086 1289 L CA 1.628 56.465 54.840 -0.004 0.000 0.760 1289 L CB -0.510 41.547 42.059 -0.004 0.000 0.910 1289 L HN 0.858 nan 8.230 nan 0.000 0.437 1290 T N -1.280 113.280 114.554 0.009 0.000 2.915 1290 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 1290 T C 0.834 175.547 174.700 0.023 0.000 1.071 1290 T CA 0.292 62.403 62.100 0.018 0.000 1.132 1290 T CB -0.256 68.622 68.868 0.017 0.000 0.878 1290 T HN 0.289 nan 8.240 nan 0.000 0.479 1291 E N 2.546 122.757 120.200 0.017 0.000 2.752 1291 E HA 0.035 4.385 4.350 -0.000 0.000 0.241 1291 E C -0.005 176.615 176.600 0.032 0.000 1.016 1291 E CA -0.340 56.072 56.400 0.021 0.000 0.952 1291 E CB 0.264 29.971 29.700 0.013 0.000 0.921 1291 E HN 0.144 nan 8.360 nan 0.000 0.515 1292 V N 6.684 126.626 119.914 0.046 0.000 2.924 1292 V HA 0.247 4.367 4.120 -0.000 0.000 0.305 1292 V C 0.069 176.205 176.094 0.071 0.000 1.073 1292 V CA -0.281 62.063 62.300 0.074 0.000 1.098 1292 V CB 0.948 32.816 31.823 0.075 0.000 1.000 1292 V HN 0.605 nan 8.190 nan 0.000 0.484 1293 I N 3.334 123.967 120.570 0.105 0.000 3.074 1293 I HA 0.749 4.919 4.170 -0.000 0.000 0.310 1293 I C -2.674 173.519 176.117 0.126 0.000 1.153 1293 I CA -2.446 58.906 61.300 0.086 0.000 0.993 1293 I CB 0.352 38.381 38.000 0.049 0.000 1.237 1293 I HN 0.456 nan 8.210 nan 0.000 0.443 1294 P HA 0.430 nan 4.420 nan 0.000 0.335 1294 P C -0.660 176.721 177.300 0.135 0.000 1.416 1294 P CA 0.071 63.225 63.100 0.090 0.000 0.828 1294 P CB 0.306 32.039 31.700 0.055 0.000 1.966 1295 L N -3.981 117.301 121.223 0.099 0.000 2.630 1295 L HA 0.525 4.865 4.340 -0.000 0.000 0.258 1295 L C -0.524 176.386 176.870 0.068 0.000 1.072 1295 L CA -0.692 54.216 54.840 0.113 0.000 0.885 1295 L CB 1.970 44.093 42.059 0.106 0.000 1.502 1295 L HN 0.147 nan 8.230 nan 0.000 0.406 1296 T N -1.409 113.183 114.554 0.064 0.000 2.865 1296 T HA 0.246 4.596 4.350 -0.000 0.000 0.294 1296 T C 0.199 174.920 174.700 0.036 0.000 1.119 1296 T CA -0.499 61.624 62.100 0.040 0.000 1.007 1296 T CB 2.291 71.176 68.868 0.030 0.000 1.225 1296 T HN 0.762 nan 8.240 nan 0.000 0.515 1297 E N 1.309 121.524 120.200 0.025 0.000 2.099 1297 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 1297 E C 1.583 178.194 176.600 0.019 0.000 0.962 1297 E CA 1.037 57.449 56.400 0.020 0.000 0.826 1297 E CB -0.421 29.288 29.700 0.014 0.000 0.788 1297 E HN 0.888 nan 8.360 nan 0.000 0.461 1298 E N 1.552 121.761 120.200 0.015 0.000 2.204 1298 E HA -0.074 4.276 4.350 -0.000 0.000 0.195 1298 E C 2.007 178.615 176.600 0.014 0.000 0.990 1298 E CA 1.112 57.519 56.400 0.012 0.000 0.821 1298 E CB -0.197 29.507 29.700 0.007 0.000 0.750 1298 E HN 0.251 nan 8.360 nan 0.000 0.477 1299 A N 2.230 125.062 122.820 0.020 0.000 1.841 1299 A HA -0.208 4.112 4.320 -0.000 0.000 0.214 1299 A C 2.141 179.746 177.584 0.035 0.000 1.195 1299 A CA 1.506 53.558 52.037 0.026 0.000 0.611 1299 A CB -0.474 18.548 19.000 0.036 0.000 0.835 1299 A HN 0.200 nan 8.150 nan 0.000 0.443 1300 E N -0.346 119.880 120.200 0.043 0.000 2.136 1300 E HA -0.243 4.107 4.350 -0.000 0.000 0.202 1300 E C 1.888 178.505 176.600 0.029 0.000 1.019 1300 E CA 1.532 57.958 56.400 0.043 0.000 0.819 1300 E CB -0.637 29.084 29.700 0.034 0.000 0.739 1300 E HN 0.526 nan 8.360 nan 0.000 0.458 1301 L N 1.153 122.389 121.223 0.021 0.000 2.179 1301 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 1301 L C 2.212 179.090 176.870 0.013 0.000 1.096 1301 L CA 1.750 56.599 54.840 0.015 0.000 0.779 1301 L CB -0.379 41.687 42.059 0.011 0.000 0.922 1301 L HN 0.037 nan 8.230 nan 0.000 0.443 1302 E N -0.727 119.481 120.200 0.013 0.000 2.047 1302 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 1302 E C 2.131 178.736 176.600 0.008 0.000 0.987 1302 E CA 1.336 57.741 56.400 0.008 0.000 0.799 1302 E CB -0.091 29.613 29.700 0.005 0.000 0.752 1302 E HN 0.406 nan 8.360 nan 0.000 0.449 1303 L N 1.158 122.390 121.223 0.015 0.000 1.990 1303 L HA -0.240 4.100 4.340 -0.000 0.000 0.213 1303 L C 2.476 179.352 176.870 0.010 0.000 1.072 1303 L CA 2.108 56.957 54.840 0.015 0.000 0.755 1303 L CB -1.161 40.920 42.059 0.037 0.000 0.889 1303 L HN 0.225 nan 8.230 nan 0.000 0.432 1304 A N -0.499 122.329 122.820 0.014 0.000 1.870 1304 A HA -0.345 3.975 4.320 -0.000 0.000 0.219 1304 A C 2.261 179.849 177.584 0.007 0.000 1.224 1304 A CA 2.467 54.510 52.037 0.010 0.000 0.650 1304 A CB -0.902 18.105 19.000 0.011 0.000 0.836 1304 A HN 0.554 nan 8.150 nan 0.000 0.454 1305 E N -0.536 119.669 120.200 0.007 0.000 2.077 1305 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 1305 E C 1.989 178.592 176.600 0.006 0.000 0.989 1305 E CA 1.155 57.560 56.400 0.008 0.000 0.800 1305 E CB -0.307 29.398 29.700 0.008 0.000 0.746 1305 E HN 0.761 nan 8.360 nan 0.000 0.452 1306 N N 0.722 119.422 118.700 -0.000 0.000 2.005 1306 N HA -0.257 4.483 4.740 -0.000 0.000 0.199 1306 N C 1.951 177.444 175.510 -0.028 0.000 1.054 1306 N CA 1.971 55.014 53.050 -0.012 0.000 0.864 1306 N CB -0.223 38.254 38.487 -0.017 0.000 1.063 1306 N HN 0.147 nan 8.380 nan 0.000 0.428 1307 R N 1.273 121.754 120.500 -0.031 0.000 2.091 1307 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 1307 R C 2.027 178.314 176.300 -0.023 0.000 1.136 1307 R CA 1.691 57.765 56.100 -0.043 0.000 0.959 1307 R CB -0.694 29.588 30.300 -0.030 0.000 0.856 1307 R HN 0.418 nan 8.270 nan 0.000 0.437 1308 E N 1.263 121.462 120.200 -0.002 0.000 2.136 1308 E HA -0.251 4.099 4.350 -0.000 0.000 0.202 1308 E C 1.935 178.554 176.600 0.031 0.000 1.019 1308 E CA 1.968 58.377 56.400 0.014 0.000 0.819 1308 E CB -0.105 29.605 29.700 0.016 0.000 0.739 1308 E HN 0.565 nan 8.360 nan 0.000 0.458 1309 I N 0.531 121.123 120.570 0.037 0.000 2.193 1309 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 1309 I C 2.491 178.692 176.117 0.139 0.000 1.084 1309 I CA 0.700 62.054 61.300 0.090 0.000 1.365 1309 I CB -0.252 37.807 38.000 0.099 0.000 1.064 1309 I HN 0.164 nan 8.210 nan 0.000 0.410 1310 L N 0.879 122.094 121.223 -0.013 0.000 2.263 1310 L HA -0.240 4.100 4.340 -0.000 0.000 0.216 1310 L C 2.536 179.359 176.870 -0.078 0.000 1.111 1310 L CA 1.216 55.892 54.840 -0.274 0.000 0.773 1310 L CB -0.638 41.182 42.059 -0.398 0.000 0.906 1310 L HN 0.288 nan 8.230 nan 0.000 0.439 1311 K N 0.722 121.128 120.400 0.011 0.000 2.155 1311 K HA -0.051 4.269 4.320 -0.000 0.000 0.203 1311 K C 0.217 176.873 176.600 0.092 0.000 1.052 1311 K CA 0.743 57.052 56.287 0.037 0.000 0.948 1311 K CB 0.306 32.822 32.500 0.027 0.000 0.728 1311 K HN 0.374 nan 8.250 nan 0.000 0.448 1312 E N 2.204 122.482 120.200 0.131 0.000 2.191 1312 E HA 0.240 4.590 4.350 -0.000 0.000 0.274 1312 E C -2.466 174.221 176.600 0.145 0.000 0.948 1312 E CA -2.646 53.825 56.400 0.119 0.000 0.802 1312 E CB 1.259 31.009 29.700 0.083 0.000 1.137 1312 E HN 0.151 nan 8.360 nan 0.000 0.397 1313 P HA -0.129 nan 4.420 nan 0.000 0.265 1313 P C -0.020 177.171 177.300 -0.181 0.000 1.167 1313 P CA 0.165 63.235 63.100 -0.051 0.000 0.760 1313 P CB 0.359 32.029 31.700 -0.050 0.000 0.783 1314 V N 4.538 124.201 119.914 -0.419 0.000 2.509 1314 V HA -0.098 4.022 4.120 -0.000 0.000 0.297 1314 V C 1.404 177.367 176.094 -0.217 0.000 1.014 1314 V CA 0.331 62.348 62.300 -0.472 0.000 1.127 1314 V CB -1.088 30.405 31.823 -0.550 0.000 0.925 1314 V HN 0.654 nan 8.190 nan 0.000 0.480 1315 H N 4.507 123.464 119.070 -0.188 0.000 2.929 1315 H HA 0.307 4.863 4.556 -0.000 0.000 0.317 1315 H C 1.125 176.406 175.328 -0.078 0.000 1.031 1315 H CA 1.121 57.104 56.048 -0.108 0.000 1.466 1315 H CB 0.921 30.659 29.762 -0.039 0.000 1.482 1315 H HN 0.928 nan 8.280 nan 0.000 0.561 1316 G N 3.622 112.258 108.800 -0.273 0.000 2.201 1316 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.212 1316 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.212 1316 G C 0.002 174.906 174.900 0.006 0.000 0.994 1316 G CA 0.090 45.207 45.100 0.028 0.000 0.644 1316 G HN 0.827 nan 8.290 nan 0.000 0.508 1317 V N -1.269 118.481 119.914 -0.274 0.000 2.407 1317 V HA 0.867 4.987 4.120 -0.000 0.000 0.278 1317 V C -0.374 175.427 176.094 -0.489 0.000 1.037 1317 V CA -1.449 60.721 62.300 -0.216 0.000 0.900 1317 V CB 0.722 32.444 31.823 -0.169 0.000 0.983 1317 V HN 0.319 nan 8.190 nan 0.000 0.459 1318 Y N 3.104 123.399 120.300 -0.008 0.000 2.492 1318 Y HA 0.486 5.036 4.550 -0.000 0.000 0.346 1318 Y C -0.421 175.506 175.900 0.044 0.000 0.997 1318 Y CA -1.090 57.027 58.100 0.029 0.000 1.025 1318 Y CB 1.957 40.416 38.460 -0.000 0.000 1.263 1318 Y HN 0.785 nan 8.280 nan 0.000 0.454 1319 Y N 2.918 123.293 120.300 0.125 0.000 2.544 1319 Y HA 0.195 4.745 4.550 -0.000 0.000 0.330 1319 Y C -0.272 175.643 175.900 0.025 0.000 1.136 1319 Y CA -0.406 57.704 58.100 0.017 0.000 1.417 1319 Y CB 0.405 38.903 38.460 0.064 0.000 1.229 1319 Y HN 0.585 nan 8.280 nan 0.000 0.532 1320 D N 8.761 128.731 120.400 -0.716 0.000 2.412 1320 D HA 0.307 4.947 4.640 -0.000 0.000 0.224 1320 D C -2.129 173.615 176.300 -0.927 0.000 1.093 1320 D CA -2.695 50.950 54.000 -0.592 0.000 0.850 1320 D CB 1.793 42.409 40.800 -0.306 0.000 1.046 1320 D HN 0.327 nan 8.370 nan 0.000 0.507 1321 P HA -0.196 nan 4.420 nan 0.000 0.217 1321 P C 1.204 178.373 177.300 -0.218 0.000 1.148 1321 P CA 1.346 64.225 63.100 -0.368 0.000 0.834 1321 P CB 0.201 31.868 31.700 -0.055 0.000 0.783 1322 S N -2.039 113.536 115.700 -0.210 0.000 2.406 1322 S HA -0.019 4.451 4.470 -0.000 0.000 0.228 1322 S C 0.941 175.462 174.600 -0.131 0.000 1.020 1322 S CA 0.602 58.723 58.200 -0.132 0.000 0.965 1322 S CB -0.569 62.566 63.200 -0.108 0.000 0.798 1322 S HN 0.106 nan 8.310 nan 0.000 0.488 1323 K N 1.623 121.910 120.400 -0.188 0.000 2.098 1323 K HA 0.334 4.654 4.320 -0.000 0.000 0.257 1323 K C -0.863 175.652 176.600 -0.142 0.000 0.999 1323 K CA -0.718 55.478 56.287 -0.151 0.000 0.924 1323 K CB 0.344 32.752 32.500 -0.154 0.000 1.028 1323 K HN 0.170 nan 8.250 nan 0.000 0.466 1324 D N 1.403 121.740 120.400 -0.105 0.000 2.372 1324 D HA 0.133 4.773 4.640 -0.000 0.000 0.243 1324 D C -0.112 176.092 176.300 -0.160 0.000 1.121 1324 D CA 0.028 53.967 54.000 -0.101 0.000 0.898 1324 D CB 0.770 41.519 40.800 -0.084 0.000 1.202 1324 D HN 0.182 nan 8.370 nan 0.000 0.428 1325 L N 2.162 123.271 121.223 -0.189 0.000 2.307 1325 L HA 0.453 4.793 4.340 -0.000 0.000 0.282 1325 L C -0.021 176.621 176.870 -0.379 0.000 1.051 1325 L CA -0.525 54.127 54.840 -0.314 0.000 0.804 1325 L CB 1.025 42.873 42.059 -0.351 0.000 1.197 1325 L HN 0.162 nan 8.230 nan 0.000 0.431 1326 I N 2.608 122.851 120.570 -0.545 0.000 2.498 1326 I HA 0.530 4.700 4.170 -0.000 0.000 0.290 1326 I C -0.370 175.276 176.117 -0.785 0.000 1.032 1326 I CA -0.538 60.368 61.300 -0.657 0.000 1.073 1326 I CB 2.160 39.728 38.000 -0.719 0.000 1.251 1326 I HN 0.588 nan 8.210 nan 0.000 0.426 1327 A N 5.484 127.877 122.820 -0.711 0.000 2.318 1327 A HA 0.664 4.984 4.320 -0.000 0.000 0.317 1327 A C -0.785 176.576 177.584 -0.372 0.000 1.159 1327 A CA -0.450 51.205 52.037 -0.636 0.000 0.799 1327 A CB 1.257 19.555 19.000 -1.171 0.000 1.194 1327 A HN 0.756 nan 8.150 nan 0.000 0.479 1328 E N 2.136 122.274 120.200 -0.104 0.000 2.210 1328 E HA 0.646 4.996 4.350 -0.000 0.000 0.266 1328 E C -1.444 175.236 176.600 0.134 0.000 0.883 1328 E CA -0.433 55.996 56.400 0.048 0.000 0.761 1328 E CB 1.402 31.194 29.700 0.153 0.000 1.156 1328 E HN 0.653 nan 8.360 nan 0.000 0.412 1329 I N 3.103 123.762 120.570 0.149 0.000 2.509 1329 I HA 0.287 4.457 4.170 -0.000 0.000 0.293 1329 I C -0.811 175.429 176.117 0.206 0.000 1.020 1329 I CA -0.884 60.546 61.300 0.218 0.000 1.088 1329 I CB 2.001 40.133 38.000 0.219 0.000 1.267 1329 I HN 0.409 nan 8.210 nan 0.000 0.430 1330 Q N 4.394 124.319 119.800 0.207 0.000 2.365 1330 Q HA 0.384 4.724 4.340 -0.000 0.000 0.269 1330 Q C -0.721 175.337 176.000 0.098 0.000 1.061 1330 Q CA -0.834 55.038 55.803 0.115 0.000 0.816 1330 Q CB 2.533 31.268 28.738 -0.005 0.000 1.325 1330 Q HN 0.335 nan 8.270 nan 0.000 0.446 1331 K N 2.080 122.451 120.400 -0.048 0.000 2.310 1331 K HA 0.070 4.390 4.320 -0.000 0.000 0.290 1331 K C 0.030 176.331 176.600 -0.499 0.000 1.077 1331 K CA -0.081 55.873 56.287 -0.555 0.000 0.922 1331 K CB 0.628 32.818 32.500 -0.516 0.000 1.057 1331 K HN 0.554 nan 8.250 nan 0.000 0.479 1332 Q N 2.372 121.815 119.800 -0.595 0.000 2.451 1332 Q HA 0.096 4.436 4.340 -0.000 0.000 0.206 1332 Q C 0.547 176.279 176.000 -0.448 0.000 0.947 1332 Q CA 0.658 56.150 55.803 -0.519 0.000 0.937 1332 Q CB 0.476 28.847 28.738 -0.612 0.000 1.025 1332 Q HN 0.998 nan 8.270 nan 0.000 0.511 1333 G N 0.992 109.487 108.800 -0.508 0.000 2.712 1333 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.686 1333 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.686 1333 G C -0.456 174.262 174.900 -0.303 0.000 1.321 1333 G CA -0.173 44.714 45.100 -0.355 0.000 0.813 1333 G HN 0.251 nan 8.290 nan 0.000 0.599 1334 Q N -1.428 118.248 119.800 -0.207 0.000 2.494 1334 Q HA -0.123 4.217 4.340 -0.000 0.000 0.266 1334 Q C 1.654 177.567 176.000 -0.146 0.000 1.053 1334 Q CA 2.277 57.994 55.803 -0.144 0.000 1.029 1334 Q CB -1.559 27.108 28.738 -0.118 0.000 1.423 1334 Q HN 2.869 nan 8.270 nan 0.000 0.516 1335 G N -0.769 107.920 108.800 -0.184 0.000 2.143 1335 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.248 1335 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.248 1335 G C -0.127 174.691 174.900 -0.137 0.000 0.991 1335 G CA 0.496 45.546 45.100 -0.083 0.000 0.689 1335 G HN 0.273 nan 8.290 nan 0.000 0.522 1336 Q N -1.125 118.457 119.800 -0.363 0.000 2.241 1336 Q HA 0.650 4.990 4.340 -0.000 0.000 0.254 1336 Q C -0.625 175.083 176.000 -0.486 0.000 0.917 1336 Q CA -0.198 55.433 55.803 -0.287 0.000 0.919 1336 Q CB 1.358 29.909 28.738 -0.312 0.000 1.237 1336 Q HN 0.440 nan 8.270 nan 0.000 0.434 1337 W N 0.724 122.032 121.300 0.012 0.000 2.957 1337 W HA 0.362 5.022 4.660 -0.000 0.000 0.336 1337 W C -0.300 176.278 176.519 0.098 0.000 1.087 1337 W CA -0.582 56.806 57.345 0.071 0.000 1.235 1337 W CB 1.658 31.234 29.460 0.193 0.000 1.399 1337 W HN 0.437 nan 8.180 nan 0.000 0.480 1338 T N 0.090 114.776 114.554 0.221 0.000 2.888 1338 T HA 0.819 5.169 4.350 -0.000 0.000 0.284 1338 T C -1.108 173.757 174.700 0.276 0.000 1.017 1338 T CA -0.691 61.496 62.100 0.145 0.000 1.022 1338 T CB 1.661 70.491 68.868 -0.062 0.000 1.013 1338 T HN 0.418 nan 8.240 nan 0.000 0.465 1339 Y N -0.607 119.756 120.300 0.105 0.000 2.571 1339 Y HA 0.782 5.332 4.550 -0.000 0.000 0.341 1339 Y C -1.471 174.481 175.900 0.085 0.000 1.076 1339 Y CA -1.450 56.705 58.100 0.092 0.000 1.029 1339 Y CB 1.456 39.970 38.460 0.090 0.000 1.308 1339 Y HN 0.605 nan 8.280 nan 0.000 0.461 1340 Q N 2.872 122.784 119.800 0.187 0.000 2.359 1340 Q HA 0.696 5.036 4.340 -0.000 0.000 0.274 1340 Q C -1.471 174.623 176.000 0.156 0.000 1.074 1340 Q CA -0.619 55.271 55.803 0.145 0.000 0.810 1340 Q CB 3.304 32.151 28.738 0.182 0.000 1.342 1340 Q HN 0.778 nan 8.270 nan 0.000 0.427 1341 I N 3.234 123.870 120.570 0.112 0.000 2.406 1341 I HA 0.612 4.782 4.170 -0.000 0.000 0.290 1341 I C -1.163 174.916 176.117 -0.063 0.000 0.999 1341 I CA -1.048 60.193 61.300 -0.099 0.000 1.124 1341 I CB 0.842 38.812 38.000 -0.050 0.000 1.289 1341 I HN 0.682 nan 8.210 nan 0.000 0.441 1342 Y N 2.844 123.047 120.300 -0.163 0.000 2.656 1342 Y HA 0.415 4.965 4.550 -0.000 0.000 0.334 1342 Y C -0.348 175.462 175.900 -0.151 0.000 1.179 1342 Y CA -0.968 57.048 58.100 -0.139 0.000 1.050 1342 Y CB 1.043 39.455 38.460 -0.079 0.000 1.308 1342 Y HN 0.438 nan 8.280 nan 0.000 0.456 1343 Q N -0.165 119.671 119.800 0.060 0.000 2.402 1343 Q HA 0.244 4.584 4.340 -0.000 0.000 0.231 1343 Q C -0.623 175.469 176.000 0.153 0.000 0.888 1343 Q CA 0.344 56.143 55.803 -0.006 0.000 0.938 1343 Q CB 0.977 29.663 28.738 -0.087 0.000 1.086 1343 Q HN 0.570 nan 8.270 nan 0.000 0.543 1344 E N 1.479 121.820 120.200 0.234 0.000 2.185 1344 E HA 0.312 4.662 4.350 -0.000 0.000 0.261 1344 E C -2.620 174.061 176.600 0.135 0.000 0.879 1344 E CA -2.232 54.272 56.400 0.173 0.000 0.756 1344 E CB 1.817 31.568 29.700 0.085 0.000 1.152 1344 E HN -0.062 nan 8.360 nan 0.000 0.416 1345 P HA -0.138 nan 4.420 nan 0.000 0.263 1345 P C -0.358 176.945 177.300 0.006 0.000 1.162 1345 P CA 0.636 63.582 63.100 -0.257 0.000 0.758 1345 P CB -0.019 31.755 31.700 0.123 0.000 0.773 1346 F N 0.400 120.083 119.950 -0.445 0.000 3.034 1346 F HA -0.231 4.296 4.527 -0.000 0.000 0.286 1346 F C 0.784 176.537 175.800 -0.079 0.000 0.804 1346 F CA 1.006 58.936 58.000 -0.117 0.000 1.161 1346 F CB -1.609 37.421 39.000 0.051 0.000 1.317 1346 F HN 0.324 nan 8.300 nan 0.000 0.453 1347 K N 0.958 121.351 120.400 -0.012 0.000 2.961 1347 K HA 0.241 4.561 4.320 -0.000 0.000 0.187 1347 K C -0.184 176.435 176.600 0.032 0.000 1.110 1347 K CA -0.336 55.958 56.287 0.012 0.000 0.968 1347 K CB 0.128 32.650 32.500 0.036 0.000 1.287 1347 K HN 0.083 nan 8.250 nan 0.000 0.578 1348 N N 1.941 120.653 118.700 0.019 0.000 2.411 1348 N HA -0.049 4.691 4.740 -0.000 0.000 0.265 1348 N C 1.221 176.755 175.510 0.041 0.000 1.266 1348 N CA 0.228 53.322 53.050 0.073 0.000 0.889 1348 N CB 0.995 39.526 38.487 0.073 0.000 1.069 1348 N HN 0.259 nan 8.380 nan 0.000 0.476 1349 L N 1.329 122.597 121.223 0.076 0.000 2.209 1349 L HA 0.090 4.430 4.340 -0.000 0.000 0.207 1349 L C 0.984 177.964 176.870 0.183 0.000 1.094 1349 L CA 0.831 55.733 54.840 0.104 0.000 0.790 1349 L CB 0.104 42.205 42.059 0.071 0.000 0.932 1349 L HN 0.516 nan 8.230 nan 0.000 0.447 1350 K N -0.613 119.893 120.400 0.177 0.000 2.578 1350 K HA 0.305 4.625 4.320 -0.000 0.000 0.269 1350 K C -1.225 175.422 176.600 0.078 0.000 0.941 1350 K CA -0.419 55.967 56.287 0.165 0.000 0.847 1350 K CB 1.852 34.522 32.500 0.283 0.000 1.397 1350 K HN -0.066 nan 8.250 nan 0.000 0.422 1351 T N -0.620 113.918 114.554 -0.028 0.000 2.901 1351 T HA 0.926 5.276 4.350 -0.000 0.000 0.293 1351 T C 0.012 174.451 174.700 -0.434 0.000 1.084 1351 T CA -0.351 61.631 62.100 -0.196 0.000 1.008 1351 T CB 2.055 70.891 68.868 -0.052 0.000 1.170 1351 T HN 0.750 nan 8.240 nan 0.000 0.509 1352 G N 0.096 108.367 108.800 -0.882 0.000 2.570 1352 G HA2 0.627 4.587 3.960 -0.000 0.000 0.310 1352 G HA3 0.627 4.587 3.960 -0.000 0.000 0.310 1352 G C -1.976 172.640 174.900 -0.474 0.000 1.266 1352 G CA -0.902 43.735 45.100 -0.771 0.000 0.825 1352 G HN 0.876 nan 8.290 nan 0.000 0.483 1353 K N -1.599 118.826 120.400 0.040 0.000 2.533 1353 K HA 0.675 4.995 4.320 -0.000 0.000 0.272 1353 K C -2.349 174.531 176.600 0.466 0.000 0.985 1353 K CA -0.943 55.489 56.287 0.240 0.000 0.876 1353 K CB 2.615 35.174 32.500 0.098 0.000 1.452 1353 K HN 0.633 nan 8.250 nan 0.000 0.439 1354 Y N 0.730 121.192 120.300 0.269 0.000 2.362 1354 Y HA 0.617 5.167 4.550 -0.000 0.000 0.326 1354 Y C -1.725 174.319 175.900 0.240 0.000 1.083 1354 Y CA -0.288 57.950 58.100 0.230 0.000 1.073 1354 Y CB 1.808 40.389 38.460 0.202 0.000 1.211 1354 Y HN 0.760 nan 8.280 nan 0.000 0.433 1355 A N 4.987 127.547 122.820 -0.434 0.000 2.483 1355 A HA 1.022 5.342 4.320 -0.000 0.000 0.286 1355 A C -0.721 176.612 177.584 -0.418 0.000 1.207 1355 A CA -0.665 51.205 52.037 -0.279 0.000 0.764 1355 A CB 1.608 20.531 19.000 -0.130 0.000 1.341 1355 A HN 0.788 nan 8.150 nan 0.000 0.428 1363 N N 1.648 120.280 118.700 -0.113 0.000 2.466 1363 N HA 0.349 5.089 4.740 -0.000 0.000 0.294 1363 N C 0.288 175.765 175.510 -0.055 0.000 1.129 1363 N CA -0.209 52.768 53.050 -0.122 0.000 0.931 1363 N CB 1.242 39.586 38.487 -0.238 0.000 1.193 1363 N HN -0.145 nan 8.380 nan 0.000 0.500 1364 D N 1.432 121.846 120.400 0.023 0.000 2.097 1364 D HA -0.115 4.525 4.640 -0.000 0.000 0.195 1364 D C 1.623 177.977 176.300 0.090 0.000 0.989 1364 D CA 1.200 55.306 54.000 0.177 0.000 0.827 1364 D CB -0.027 40.894 40.800 0.202 0.000 0.966 1364 D HN 0.374 nan 8.370 nan 0.000 0.456 1365 V N 1.309 121.228 119.914 0.008 0.000 2.343 1365 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 1365 V C 2.506 178.518 176.094 -0.138 0.000 1.051 1365 V CA 1.389 63.704 62.300 0.025 0.000 1.036 1365 V CB -0.437 31.430 31.823 0.073 0.000 0.654 1365 V HN 0.198 nan 8.190 nan 0.000 0.451 1366 K N -0.029 120.100 120.400 -0.450 0.000 2.032 1366 K HA -0.262 4.058 4.320 -0.000 0.000 0.209 1366 K C 2.262 178.668 176.600 -0.322 0.000 1.048 1366 K CA 2.053 57.878 56.287 -0.771 0.000 0.927 1366 K CB -0.150 31.739 32.500 -1.018 0.000 0.712 1366 K HN 0.539 nan 8.250 nan 0.000 0.441 1367 Q N 0.388 120.069 119.800 -0.200 0.000 2.050 1367 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 1367 Q C 2.162 177.887 176.000 -0.457 0.000 0.980 1367 Q CA 1.435 57.156 55.803 -0.138 0.000 0.840 1367 Q CB -0.181 28.620 28.738 0.105 0.000 0.898 1367 Q HN 0.204 nan 8.270 nan 0.000 0.424 1368 L N 0.831 121.684 121.223 -0.616 0.000 1.990 1368 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 1368 L C 2.487 179.215 176.870 -0.237 0.000 1.072 1368 L CA 2.658 57.099 54.840 -0.665 0.000 0.755 1368 L CB -1.252 40.577 42.059 -0.383 0.000 0.889 1368 L HN 0.431 nan 8.230 nan 0.000 0.432 1369 T N -3.703 110.885 114.554 0.057 0.000 2.759 1369 T HA -0.234 4.116 4.350 -0.000 0.000 0.269 1369 T C 1.769 176.465 174.700 -0.007 0.000 1.042 1369 T CA 1.501 63.755 62.100 0.258 0.000 1.140 1369 T CB -0.562 68.475 68.868 0.281 0.000 0.864 1369 T HN 0.469 nan 8.240 nan 0.000 0.455 1370 E N 1.413 121.510 120.200 -0.172 0.000 2.023 1370 E HA -0.023 4.327 4.350 -0.000 0.000 0.196 1370 E C 2.626 178.894 176.600 -0.554 0.000 1.003 1370 E CA 1.248 57.480 56.400 -0.280 0.000 0.809 1370 E CB -0.536 29.067 29.700 -0.163 0.000 0.755 1370 E HN 0.648 nan 8.360 nan 0.000 0.449 1371 A N 0.342 122.622 122.820 -0.901 0.000 1.908 1371 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 1371 A C 2.438 179.711 177.584 -0.519 0.000 1.181 1371 A CA 1.585 53.004 52.037 -1.030 0.000 0.627 1371 A CB -0.776 17.675 19.000 -0.914 0.000 0.818 1371 A HN 0.187 nan 8.150 nan 0.000 0.445 1372 V N -0.177 119.516 119.914 -0.368 0.000 2.332 1372 V HA -0.342 3.778 4.120 -0.000 0.000 0.248 1372 V C 2.634 178.632 176.094 -0.160 0.000 1.055 1372 V CA 2.352 64.434 62.300 -0.362 0.000 1.038 1372 V CB -0.941 30.684 31.823 -0.331 0.000 0.651 1372 V HN 0.664 nan 8.190 nan 0.000 0.450 1373 Q N -0.242 119.476 119.800 -0.138 0.000 2.079 1373 Q HA -0.211 4.129 4.340 -0.000 0.000 0.200 1373 Q C 2.381 178.415 176.000 0.057 0.000 0.974 1373 Q CA 1.627 57.420 55.803 -0.016 0.000 0.840 1373 Q CB -0.239 28.297 28.738 -0.337 0.000 0.898 1373 Q HN 0.608 nan 8.270 nan 0.000 0.430 1374 K N 1.261 121.591 120.400 -0.116 0.000 1.978 1374 K HA -0.204 4.116 4.320 -0.000 0.000 0.214 1374 K C 2.006 178.529 176.600 -0.128 0.000 1.049 1374 K CA 1.565 57.792 56.287 -0.099 0.000 0.939 1374 K CB -0.239 32.136 32.500 -0.209 0.000 0.721 1374 K HN 0.130 nan 8.250 nan 0.000 0.441 1375 I N 1.081 121.514 120.570 -0.230 0.000 2.151 1375 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 1375 I C 2.315 178.417 176.117 -0.024 0.000 1.080 1375 I CA 1.830 62.993 61.300 -0.229 0.000 1.339 1375 I CB -0.694 37.173 38.000 -0.221 0.000 1.039 1375 I HN 0.321 nan 8.210 nan 0.000 0.409 1376 T N -0.013 114.603 114.554 0.105 0.000 2.759 1376 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 1376 T C 1.898 176.527 174.700 -0.118 0.000 1.042 1376 T CA 2.037 64.128 62.100 -0.014 0.000 1.140 1376 T CB -0.412 68.331 68.868 -0.208 0.000 0.864 1376 T HN 0.408 nan 8.240 nan 0.000 0.455 1377 T N 2.224 116.813 114.554 0.058 0.000 2.674 1377 T HA -0.093 4.257 4.350 -0.000 0.000 0.265 1377 T C 1.972 176.725 174.700 0.087 0.000 1.039 1377 T CA 1.222 63.436 62.100 0.190 0.000 1.150 1377 T CB -0.292 68.786 68.868 0.349 0.000 0.864 1377 T HN 0.572 nan 8.240 nan 0.000 0.427 1378 E N 1.046 121.206 120.200 -0.066 0.000 2.118 1378 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 1378 E C 2.448 178.972 176.600 -0.127 0.000 0.992 1378 E CA 1.115 57.375 56.400 -0.233 0.000 0.804 1378 E CB -0.243 29.040 29.700 -0.695 0.000 0.741 1378 E HN 0.323 nan 8.360 nan 0.000 0.458 1379 S N 0.780 116.439 115.700 -0.069 0.000 2.368 1379 S HA -0.124 4.346 4.470 -0.000 0.000 0.225 1379 S C 2.008 176.563 174.600 -0.075 0.000 1.030 1379 S CA 0.746 58.986 58.200 0.066 0.000 0.999 1379 S CB -0.141 63.119 63.200 0.100 0.000 0.844 1379 S HN 0.179 nan 8.310 nan 0.000 0.459 1380 I N 0.860 121.301 120.570 -0.214 0.000 2.361 1380 I HA -0.118 4.052 4.170 -0.000 0.000 0.251 1380 I C 2.136 178.084 176.117 -0.282 0.000 1.133 1380 I CA 0.755 61.812 61.300 -0.405 0.000 1.413 1380 I CB -0.174 37.448 38.000 -0.631 0.000 1.073 1380 I HN 0.208 nan 8.210 nan 0.000 0.424 1381 V N 0.898 120.708 119.914 -0.173 0.000 2.323 1381 V HA -0.225 3.895 4.120 -0.000 0.000 0.244 1381 V C 2.191 178.233 176.094 -0.087 0.000 1.041 1381 V CA 1.723 63.971 62.300 -0.086 0.000 1.025 1381 V CB -0.247 31.622 31.823 0.076 0.000 0.656 1381 V HN 0.300 nan 8.190 nan 0.000 0.451 1382 I N -1.547 118.822 120.570 -0.335 0.000 2.286 1382 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 1382 I C 2.116 177.669 176.117 -0.940 0.000 1.104 1382 I CA 1.537 62.406 61.300 -0.718 0.000 1.397 1382 I CB -0.234 36.936 38.000 -1.384 0.000 1.072 1382 I HN 0.398 nan 8.210 nan 0.000 0.417 1383 W N 0.014 121.017 121.300 -0.495 0.000 2.940 1383 W HA 0.369 5.029 4.660 -0.000 0.000 0.297 1383 W C 1.528 177.486 176.519 -0.934 0.000 1.149 1383 W CA 0.684 57.554 57.345 -0.791 0.000 1.564 1383 W CB -0.254 28.749 29.460 -0.763 0.000 1.010 1383 W HN 0.306 nan 8.180 nan 0.000 0.578 1384 G N 2.278 110.682 108.800 -0.661 0.000 2.148 1384 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.254 1384 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.254 1384 G C 0.109 174.958 174.900 -0.085 0.000 0.981 1384 G CA 0.841 45.733 45.100 -0.347 0.000 0.670 1384 G HN 0.367 nan 8.290 nan 0.000 0.528 1385 K N -1.054 119.269 120.400 -0.128 0.000 2.551 1385 K HA 0.711 5.031 4.320 -0.000 0.000 0.269 1385 K C -0.165 176.380 176.600 -0.092 0.000 0.949 1385 K CA -0.389 55.891 56.287 -0.013 0.000 0.849 1385 K CB 1.113 33.678 32.500 0.108 0.000 1.411 1385 K HN 0.415 nan 8.250 nan 0.000 0.432 1386 T N -0.078 114.435 114.554 -0.069 0.000 2.909 1386 T HA 0.491 4.841 4.350 -0.000 0.000 0.289 1386 T C -2.003 172.658 174.700 -0.066 0.000 1.005 1386 T CA -1.327 60.708 62.100 -0.108 0.000 1.084 1386 T CB 0.894 69.696 68.868 -0.111 0.000 0.975 1386 T HN 0.540 nan 8.240 nan 0.000 0.509 1387 P HA 0.380 nan 4.420 nan 0.000 0.284 1387 P C -1.096 176.082 177.300 -0.202 0.000 1.287 1387 P CA -0.920 62.032 63.100 -0.246 0.000 0.824 1387 P CB 1.145 32.575 31.700 -0.450 0.000 1.180 1388 K N 0.873 121.116 120.400 -0.261 0.000 2.213 1388 K HA 0.395 4.715 4.320 -0.000 0.000 0.270 1388 K C -0.999 175.460 176.600 -0.235 0.000 1.002 1388 K CA -0.528 55.680 56.287 -0.131 0.000 0.868 1388 K CB 0.242 32.674 32.500 -0.113 0.000 1.093 1388 K HN 0.203 nan 8.250 nan 0.000 0.454 1389 F N 2.829 122.715 119.950 -0.106 0.000 2.385 1389 F HA 0.311 4.838 4.527 -0.000 0.000 0.336 1389 F C 0.483 176.177 175.800 -0.176 0.000 1.100 1389 F CA -0.407 57.513 58.000 -0.134 0.000 1.116 1389 F CB 1.333 40.254 39.000 -0.133 0.000 1.166 1389 F HN 0.268 nan 8.300 nan 0.000 0.511 1390 K N 4.655 125.048 120.400 -0.012 0.000 2.354 1390 K HA 0.410 4.730 4.320 -0.000 0.000 0.257 1390 K C -1.051 175.520 176.600 -0.048 0.000 1.062 1390 K CA -0.279 55.981 56.287 -0.045 0.000 0.971 1390 K CB 0.759 33.256 32.500 -0.005 0.000 1.305 1390 K HN 0.507 nan 8.250 nan 0.000 0.449 1391 L N 5.301 126.413 121.223 -0.186 0.000 2.265 1391 L HA 0.263 4.603 4.340 -0.000 0.000 0.288 1391 L C -1.729 175.103 176.870 -0.063 0.000 1.058 1391 L CA -1.954 52.744 54.840 -0.236 0.000 0.809 1391 L CB 0.864 42.529 42.059 -0.657 0.000 1.179 1391 L HN 0.327 nan 8.230 nan 0.000 0.429 1392 P HA 0.190 nan 4.420 nan 0.000 0.230 1392 P C -0.527 176.846 177.300 0.122 0.000 1.791 1392 P CA 0.465 63.625 63.100 0.099 0.000 1.020 1392 P CB 0.476 32.269 31.700 0.156 0.000 1.977 1393 I N -0.842 119.801 120.570 0.120 0.000 3.176 1393 I HA 0.231 4.401 4.170 -0.000 0.000 0.311 1393 I C -1.434 174.743 176.117 0.100 0.000 1.373 1393 I CA -1.214 60.165 61.300 0.133 0.000 0.938 1393 I CB 2.821 40.915 38.000 0.156 0.000 1.322 1393 I HN -0.137 nan 8.210 nan 0.000 0.499 1394 Q N 4.226 124.057 119.800 0.051 0.000 2.307 1394 Q HA 0.143 4.483 4.340 -0.000 0.000 0.259 1394 Q C 0.774 176.628 176.000 -0.242 0.000 0.998 1394 Q CA -0.070 55.710 55.803 -0.038 0.000 0.923 1394 Q CB 1.371 30.123 28.738 0.023 0.000 1.196 1394 Q HN 0.651 nan 8.270 nan 0.000 0.416 1395 K N 3.507 123.559 120.400 -0.580 0.000 2.066 1395 K HA -0.339 3.981 4.320 -0.000 0.000 0.221 1395 K C 0.947 177.212 176.600 -0.559 0.000 1.056 1395 K CA 2.577 58.125 56.287 -1.232 0.000 0.950 1395 K CB 0.174 32.232 32.500 -0.737 0.000 0.726 1395 K HN 0.639 nan 8.250 nan 0.000 0.456 1396 E N -0.159 119.927 120.200 -0.189 0.000 2.058 1396 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 1396 E C 2.066 178.690 176.600 0.040 0.000 0.997 1396 E CA 2.102 58.511 56.400 0.014 0.000 0.801 1396 E CB -0.565 29.199 29.700 0.108 0.000 0.746 1396 E HN 0.417 nan 8.360 nan 0.000 0.450 1397 T N 0.516 115.121 114.554 0.086 0.000 2.746 1397 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 1397 T C 1.328 176.187 174.700 0.266 0.000 1.039 1397 T CA 1.226 63.468 62.100 0.236 0.000 1.142 1397 T CB -0.409 68.597 68.868 0.229 0.000 0.866 1397 T HN 0.390 nan 8.240 nan 0.000 0.444 1398 W N 2.204 123.473 121.300 -0.053 0.000 2.353 1398 W HA -0.149 4.511 4.660 -0.000 0.000 0.319 1398 W C 1.919 178.446 176.519 0.013 0.000 1.207 1398 W CA 1.469 58.788 57.345 -0.043 0.000 1.291 1398 W CB -0.275 29.096 29.460 -0.147 0.000 1.159 1398 W HN 0.396 nan 8.180 nan 0.000 0.478 1399 E N -0.430 119.724 120.200 -0.078 0.000 2.160 1399 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 1399 E C 1.962 178.142 176.600 -0.699 0.000 0.991 1399 E CA 2.032 58.206 56.400 -0.377 0.000 0.810 1399 E CB -0.458 28.772 29.700 -0.784 0.000 0.742 1399 E HN 0.187 nan 8.360 nan 0.000 0.466 1400 T N -0.611 113.671 114.554 -0.454 0.000 2.904 1400 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 1400 T C 0.808 175.043 174.700 -0.776 0.000 1.059 1400 T CA 0.994 62.790 62.100 -0.506 0.000 1.137 1400 T CB -0.092 68.515 68.868 -0.436 0.000 0.879 1400 T HN 0.363 nan 8.240 nan 0.000 0.467 1401 W N -0.101 121.038 121.300 -0.269 0.000 2.865 1401 W HA 0.298 4.958 4.660 -0.000 0.000 0.300 1401 W C 1.908 178.149 176.519 -0.463 0.000 1.096 1401 W CA -1.382 55.783 57.345 -0.300 0.000 1.524 1401 W CB -0.186 29.221 29.460 -0.088 0.000 0.991 1401 W HN 0.243 nan 8.180 nan 0.000 0.571 1402 W N 1.772 122.668 121.300 -0.673 0.000 2.317 1402 W HA -0.277 4.383 4.660 -0.000 0.000 0.318 1402 W C 1.786 178.045 176.519 -0.432 0.000 1.227 1402 W CA 2.684 59.502 57.345 -0.878 0.000 1.269 1402 W CB -2.040 26.364 29.460 -1.760 0.000 1.155 1402 W HN -0.020 nan 8.180 nan 0.000 0.484 1403 T N -0.260 113.379 114.554 -1.525 0.000 2.802 1403 T HA -0.326 4.024 4.350 -0.000 0.000 0.269 1403 T C 1.480 175.880 174.700 -0.501 0.000 1.062 1403 T CA 2.083 63.483 62.100 -1.167 0.000 1.133 1403 T CB -0.756 67.301 68.868 -1.352 0.000 0.852 1403 T HN 0.179 nan 8.240 nan 0.000 0.485 1404 E N 0.430 120.318 120.200 -0.520 0.000 2.396 1404 E HA -0.080 4.270 4.350 -0.000 0.000 0.200 1404 E C 0.571 176.694 176.600 -0.796 0.000 1.023 1404 E CA 1.014 57.060 56.400 -0.590 0.000 0.857 1404 E CB -0.245 29.063 29.700 -0.654 0.000 0.775 1404 E HN 0.898 nan 8.360 nan 0.000 0.525 1405 Y N -3.169 117.124 120.300 -0.011 0.000 2.515 1405 Y HA 0.185 4.735 4.550 -0.000 0.000 0.267 1405 Y C 0.230 176.158 175.900 0.046 0.000 1.058 1405 Y CA -0.987 57.115 58.100 0.003 0.000 1.231 1405 Y CB -0.311 38.148 38.460 -0.002 0.000 1.350 1405 Y HN 0.020 nan 8.280 nan 0.000 0.554 1406 W N 3.904 125.188 121.300 -0.027 0.000 2.193 1406 W HA 0.063 4.723 4.660 -0.000 0.000 0.338 1406 W C 0.227 176.704 176.519 -0.069 0.000 1.310 1406 W CA 1.164 58.514 57.345 0.008 0.000 1.243 1406 W CB 0.918 30.430 29.460 0.086 0.000 1.165 1406 W HN 0.313 nan 8.180 nan 0.000 0.566 1407 Q N 3.058 122.555 119.800 -0.505 0.000 2.215 1407 Q HA 0.167 4.507 4.340 -0.000 0.000 0.257 1407 Q C 0.613 176.278 176.000 -0.558 0.000 0.792 1407 Q CA -0.203 55.355 55.803 -0.407 0.000 0.958 1407 Q CB 0.910 29.427 28.738 -0.369 0.000 1.158 1407 Q HN 0.434 nan 8.270 nan 0.000 0.490 1408 A N 1.254 123.463 122.820 -1.019 0.000 2.386 1408 A HA 0.177 4.497 4.320 -0.000 0.000 0.246 1408 A C 1.184 178.434 177.584 -0.557 0.000 1.089 1408 A CA 0.606 51.991 52.037 -1.087 0.000 0.790 1408 A CB 0.195 17.858 19.000 -2.228 0.000 1.042 1408 A HN 0.292 nan 8.150 nan 0.000 0.497 1409 T N -2.124 112.090 114.554 -0.568 0.000 3.107 1409 T HA 0.171 4.521 4.350 -0.000 0.000 0.249 1409 T C 0.358 175.118 174.700 0.100 0.000 1.096 1409 T CA 0.094 62.111 62.100 -0.139 0.000 1.012 1409 T CB -0.391 68.419 68.868 -0.096 0.000 0.977 1409 T HN 0.681 nan 8.240 nan 0.000 0.527 1410 W N 0.462 121.972 121.300 0.349 0.000 2.762 1410 W HA 0.774 5.434 4.660 -0.000 0.000 0.355 1410 W C -1.310 175.502 176.519 0.487 0.000 1.124 1410 W CA -1.893 55.658 57.345 0.344 0.000 1.141 1410 W CB 0.862 30.507 29.460 0.309 0.000 1.432 1410 W HN -0.132 nan 8.180 nan 0.000 0.586 1411 I N 2.867 123.861 120.570 0.707 0.000 2.512 1411 I HA 0.236 4.406 4.170 -0.000 0.000 0.287 1411 I C -2.154 174.030 176.117 0.111 0.000 1.069 1411 I CA -2.220 59.291 61.300 0.352 0.000 1.056 1411 I CB 2.240 40.194 38.000 -0.075 0.000 1.229 1411 I HN -0.025 nan 8.210 nan 0.000 0.429 1412 P HA 0.239 nan 4.420 nan 0.000 0.278 1412 P C -0.909 176.212 177.300 -0.299 0.000 1.266 1412 P CA -0.437 62.664 63.100 0.001 0.000 0.807 1412 P CB 1.000 32.833 31.700 0.221 0.000 1.094 1413 E N 0.556 120.654 120.200 -0.170 0.000 2.331 1413 E HA 0.265 4.615 4.350 -0.000 0.000 0.272 1413 E C -0.553 175.956 176.600 -0.152 0.000 1.036 1413 E CA 0.243 56.471 56.400 -0.288 0.000 0.864 1413 E CB 0.455 30.079 29.700 -0.127 0.000 1.035 1413 E HN 0.481 nan 8.360 nan 0.000 0.408 1414 W N 0.604 121.782 121.300 -0.203 0.000 3.256 1414 W HA 0.435 5.095 4.660 -0.000 0.000 0.324 1414 W C -1.042 175.158 176.519 -0.532 0.000 1.196 1414 W CA -1.176 55.952 57.345 -0.360 0.000 1.206 1414 W CB 0.023 29.141 29.460 -0.570 0.000 1.385 1414 W HN 0.422 nan 8.180 nan 0.000 0.522 1415 E N 1.505 121.572 120.200 -0.221 0.000 2.266 1415 E HA 0.647 4.997 4.350 -0.000 0.000 0.268 1415 E C -1.596 174.708 176.600 -0.493 0.000 0.879 1415 E CA -1.044 55.179 56.400 -0.295 0.000 0.762 1415 E CB 1.993 31.650 29.700 -0.072 0.000 1.199 1415 E HN 0.259 nan 8.360 nan 0.000 0.422 1416 F N 2.103 122.048 119.950 -0.009 0.000 2.413 1416 F HA 0.284 4.811 4.527 -0.000 0.000 0.359 1416 F C 0.398 176.194 175.800 -0.008 0.000 1.122 1416 F CA -0.644 57.316 58.000 -0.065 0.000 1.160 1416 F CB 1.109 40.070 39.000 -0.066 0.000 1.146 1416 F HN 0.274 nan 8.300 nan 0.000 0.514 1417 V N 3.289 123.260 119.914 0.096 0.000 3.336 1417 V HA 0.431 4.551 4.120 -0.000 0.000 0.314 1417 V C -0.418 175.738 176.094 0.104 0.000 1.088 1417 V CA -0.703 61.652 62.300 0.092 0.000 1.033 1417 V CB 2.033 33.894 31.823 0.064 0.000 1.181 1417 V HN 0.807 nan 8.190 nan 0.000 0.449 1418 N N 1.368 120.124 118.700 0.094 0.000 2.790 1418 N HA 0.213 4.953 4.740 -0.000 0.000 0.256 1418 N C -0.560 174.999 175.510 0.082 0.000 1.409 1418 N CA -0.259 52.844 53.050 0.088 0.000 0.799 1418 N CB 0.690 39.228 38.487 0.085 0.000 1.170 1418 N HN 0.731 nan 8.380 nan 0.000 0.507 1419 T N 2.969 117.570 114.554 0.078 0.000 2.658 1419 T HA -0.017 4.333 4.350 -0.000 0.000 0.252 1419 T C -2.032 172.711 174.700 0.071 0.000 1.021 1419 T CA 0.101 62.243 62.100 0.070 0.000 1.169 1419 T CB 0.212 69.114 68.868 0.056 0.000 1.015 1419 T HN 0.397 nan 8.240 nan 0.000 0.489 1420 P HA 0.275 nan 4.420 nan 0.000 0.279 1420 P C -2.199 175.152 177.300 0.086 0.000 1.282 1420 P CA -1.641 61.522 63.100 0.106 0.000 0.788 1420 P CB -0.026 31.771 31.700 0.161 0.000 1.139 1421 P HA 0.113 nan 4.420 nan 0.000 0.269 1421 P C 0.471 177.800 177.300 0.048 0.000 1.601 1421 P CA 0.258 63.403 63.100 0.075 0.000 0.831 1421 P CB -0.505 31.251 31.700 0.095 0.000 1.688 1422 L N -0.766 120.463 121.223 0.010 0.000 2.591 1422 L HA -0.025 4.315 4.340 -0.000 0.000 0.228 1422 L C 1.587 178.311 176.870 -0.244 0.000 1.133 1422 L CA 0.345 55.074 54.840 -0.185 0.000 0.880 1422 L CB -0.168 41.853 42.059 -0.065 0.000 1.033 1422 L HN -0.064 nan 8.230 nan 0.000 0.450 1423 V N -2.562 117.289 119.914 -0.104 0.000 2.407 1423 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 1423 V C 2.495 178.634 176.094 0.074 0.000 1.055 1423 V CA 1.837 64.100 62.300 -0.061 0.000 1.049 1423 V CB -1.000 30.790 31.823 -0.054 0.000 0.662 1423 V HN 0.495 nan 8.190 nan 0.000 0.455 1424 K N 0.956 121.366 120.400 0.017 0.000 2.032 1424 K HA -0.150 4.170 4.320 -0.000 0.000 0.218 1424 K C 0.767 177.338 176.600 -0.048 0.000 1.054 1424 K CA 2.139 58.451 56.287 0.042 0.000 0.941 1424 K CB -0.629 31.821 32.500 -0.083 0.000 0.720 1424 K HN 0.745 nan 8.250 nan 0.000 0.449 1425 L N -0.539 120.482 121.223 -0.336 0.000 2.325 1425 L HA 0.142 4.482 4.340 -0.000 0.000 0.284 1425 L C 0.692 177.490 176.870 -0.120 0.000 1.089 1425 L CA -0.590 54.003 54.840 -0.412 0.000 0.836 1425 L CB 0.204 41.692 42.059 -0.952 0.000 1.184 1425 L HN 0.281 nan 8.230 nan 0.000 0.444 1426 W N 1.506 122.685 121.300 -0.201 0.000 2.279 1426 W HA -0.259 4.401 4.660 -0.000 0.000 0.298 1426 W C 1.222 177.665 176.519 -0.126 0.000 1.228 1426 W CA 0.136 57.404 57.345 -0.128 0.000 1.230 1426 W CB -0.372 29.064 29.460 -0.040 0.000 1.138 1426 W HN 0.664 nan 8.180 nan 0.000 0.532 1427 Y N 0.000 120.344 120.300 0.073 0.000 2.660 1427 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 1427 Y CA 0.000 58.083 58.100 -0.029 0.000 1.940 1427 Y CB 0.000 38.442 38.460 -0.031 0.000 1.050 1427 Y HN 0.000 nan 8.280 nan 0.000 0.758