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 3o8k_1_B DATA FIRST_RESID 1007 DATA SEQUENCE AEAVQIQFGL INCGNKYLTA XXXXFKVNAS ASSLKKKQIW TXXXXXXXXX DATA SEQUENCE XAAVCLXSHL GRYLAADKDG NVTCEREVPG PDCRFLIVAH DDGRWSLQSE DATA SEQUENCE AHRRYFGGTE DRLSCFAQTV SPAEKWSVHI AMHPQVNIYS VTRKRYAHLS DATA SEQUENCE ARPADEIAVD RDVPWGVDSL ITLAFQDQRY SVQTADHRFL RHDGRLVARP DATA SEQUENCE EPATGYTLEF RSGKVAFRDC EGRYLAPSGP SGTXXXXXAT KVGKDELFAL DATA SEQUENCE EQSCAQVVLQ AANERNVSTR QGMDLSXNQD EETDQETFQL EIDRDTKKCA DATA SEQUENCE FRTHTGKYWT LTATGGVQST ASSKNASCYF DIEWRDRRIT LRASNGKFVT DATA SEQUENCE SKKNGQLAAX XETAGDSELF LMKLINRPII VFRGEHGFIG CRKVTGTLDA DATA SEQUENCE NRSSYDVFQL EFNDGAYNIK DSTGKYWTVG SDSAVTSSGD TPVDFFFEFC DATA SEQUENCE DYNKVAIKVG GRYLKGDHAG VLKASAETVD PASLWEY 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 1007 A HA 0.000 nan 4.320 nan 0.000 0.244 1007 A C 0.000 177.604 177.584 0.034 0.000 1.274 1007 A CA 0.000 52.061 52.037 0.040 0.000 0.836 1007 A CB 0.000 19.021 19.000 0.035 0.000 0.831 1008 E N 1.800 122.026 120.200 0.044 0.000 2.129 1008 E HA 0.492 4.838 4.350 -0.007 0.000 0.283 1008 E C 0.644 177.275 176.600 0.052 0.000 1.080 1008 E CA 0.353 56.780 56.400 0.045 0.000 0.867 1008 E CB 1.291 31.029 29.700 0.063 0.000 1.056 1008 E HN 0.988 nan 8.360 nan 0.000 0.404 1009 A N 3.127 125.977 122.820 0.049 0.000 2.546 1009 A HA 0.163 4.479 4.320 -0.007 0.000 0.243 1009 A C 0.455 178.076 177.584 0.062 0.000 1.063 1009 A CA -0.540 51.535 52.037 0.064 0.000 0.757 1009 A CB -0.069 18.965 19.000 0.056 0.000 0.991 1009 A HN 0.588 nan 8.150 nan 0.000 0.503 1010 V N 1.652 121.612 119.914 0.077 0.000 2.740 1010 V HA 0.189 4.305 4.120 -0.007 0.000 0.303 1010 V C 0.428 176.552 176.094 0.051 0.000 1.054 1010 V CA -0.256 62.085 62.300 0.069 0.000 1.106 1010 V CB 0.464 32.343 31.823 0.093 0.000 0.957 1010 V HN 0.905 nan 8.190 nan 0.000 0.486 1011 Q N 4.079 123.903 119.800 0.040 0.000 2.369 1011 Q HA 0.298 4.634 4.340 -0.007 0.000 0.247 1011 Q C -0.330 175.675 176.000 0.008 0.000 1.083 1011 Q CA -0.715 55.098 55.803 0.017 0.000 0.905 1011 Q CB 0.512 29.260 28.738 0.016 0.000 1.305 1011 Q HN 0.778 nan 8.270 nan 0.000 0.465 1012 I N 4.035 124.588 120.570 -0.029 0.000 2.683 1012 I HA -0.061 4.105 4.170 -0.007 0.000 0.286 1012 I C 0.270 176.348 176.117 -0.064 0.000 1.175 1012 I CA 0.788 62.065 61.300 -0.039 0.000 1.429 1012 I CB 0.515 38.367 38.000 -0.246 0.000 1.371 1012 I HN 0.676 nan 8.210 nan 0.000 0.569 1013 Q N 7.368 127.203 119.800 0.058 0.000 2.375 1013 Q HA 0.714 5.050 4.340 -0.007 0.000 0.271 1013 Q C -0.943 175.193 176.000 0.227 0.000 1.074 1013 Q CA -0.568 55.241 55.803 0.010 0.000 0.808 1013 Q CB 3.089 31.912 28.738 0.142 0.000 1.327 1013 Q HN 0.563 nan 8.270 nan 0.000 0.441 1014 F N -2.280 117.889 119.950 0.364 0.000 2.765 1014 F HA 0.729 5.253 4.527 -0.006 0.000 0.313 1014 F C -0.784 175.289 175.800 0.455 0.000 1.136 1014 F CA -1.219 57.022 58.000 0.400 0.000 0.952 1014 F CB 0.895 40.096 39.000 0.335 0.000 1.268 1014 F HN 0.505 nan 8.300 nan 0.000 0.441 1015 G N 1.280 110.546 108.800 0.776 0.000 2.498 1015 G HA2 0.779 4.735 3.960 -0.007 0.000 0.312 1015 G HA3 0.779 4.735 3.960 -0.007 0.000 0.312 1015 G C -1.979 173.276 174.900 0.591 0.000 1.230 1015 G CA -1.259 44.303 45.100 0.770 0.000 0.968 1015 G HN 0.785 nan 8.290 nan 0.000 0.481 1016 L N -0.234 121.263 121.223 0.456 0.000 2.323 1016 L HA 0.699 5.035 4.340 -0.007 0.000 0.265 1016 L C -0.570 176.353 176.870 0.088 0.000 1.012 1016 L CA -0.905 54.088 54.840 0.256 0.000 0.820 1016 L CB 2.394 44.578 42.059 0.209 0.000 1.334 1016 L HN 0.349 nan 8.230 nan 0.000 0.427 1017 I N 0.607 121.249 120.570 0.120 0.000 2.534 1017 I HA 0.294 4.460 4.170 -0.007 0.000 0.286 1017 I C -0.300 175.737 176.117 -0.134 0.000 1.094 1017 I CA -0.603 60.605 61.300 -0.152 0.000 1.055 1017 I CB 1.492 39.252 38.000 -0.399 0.000 1.225 1017 I HN 0.773 nan 8.210 nan 0.000 0.435 1018 N N 3.930 122.430 118.700 -0.333 0.000 2.327 1018 N HA 0.147 4.883 4.740 -0.007 0.000 0.285 1018 N C 0.660 175.926 175.510 -0.407 0.000 1.299 1018 N CA -0.644 51.955 53.050 -0.753 0.000 0.944 1018 N CB 0.295 38.168 38.487 -1.024 0.000 1.067 1018 N HN 0.584 nan 8.380 nan 0.000 0.514 1019 C N -1.555 117.522 119.300 -0.372 0.000 2.485 1019 C HA 0.164 4.620 4.460 -0.007 0.000 0.277 1019 C C 2.544 177.443 174.990 -0.153 0.000 1.376 1019 C CA 0.217 59.096 59.018 -0.231 0.000 1.759 1019 C CB -1.547 26.067 27.740 -0.209 0.000 1.970 1019 C HN 0.881 nan 8.230 nan 0.000 0.509 1020 G N 0.549 109.266 108.800 -0.139 0.000 2.708 1020 G HA2 -0.093 3.863 3.960 -0.007 0.000 0.210 1020 G HA3 -0.093 3.863 3.960 -0.007 0.000 0.210 1020 G C 0.581 175.452 174.900 -0.048 0.000 1.141 1020 G CA 0.527 45.584 45.100 -0.072 0.000 0.788 1020 G HN 0.808 nan 8.290 nan 0.000 0.531 1021 N N -1.894 116.756 118.700 -0.083 0.000 2.708 1021 N HA -0.176 4.560 4.740 -0.007 0.000 0.251 1021 N C 0.676 176.189 175.510 0.004 0.000 1.123 1021 N CA 0.665 53.681 53.050 -0.058 0.000 0.739 1021 N CB -0.398 38.076 38.487 -0.021 0.000 1.113 1021 N HN 0.312 nan 8.380 nan 0.000 0.561 1022 K N -0.334 120.073 120.400 0.011 0.000 2.520 1022 K HA 0.580 4.896 4.320 -0.007 0.000 0.256 1022 K C -0.737 175.931 176.600 0.113 0.000 1.033 1022 K CA 0.028 56.405 56.287 0.149 0.000 1.007 1022 K CB 0.460 33.043 32.500 0.138 0.000 1.330 1022 K HN 0.109 nan 8.250 nan 0.000 0.507 1023 Y N 0.174 120.598 120.300 0.207 0.000 2.442 1023 Y HA 0.288 4.834 4.550 -0.007 0.000 0.344 1023 Y C -0.637 175.481 175.900 0.364 0.000 0.976 1023 Y CA -1.073 57.201 58.100 0.290 0.000 1.040 1023 Y CB 1.394 39.995 38.460 0.235 0.000 1.228 1023 Y HN 0.145 nan 8.280 nan 0.000 0.451 1024 L N 3.754 125.317 121.223 0.566 0.000 2.654 1024 L HA 0.205 4.541 4.340 -0.007 0.000 0.271 1024 L C 0.270 177.608 176.870 0.779 0.000 1.169 1024 L CA 1.349 56.535 54.840 0.576 0.000 0.947 1024 L CB -0.794 41.440 42.059 0.291 0.000 1.232 1024 L HN 1.001 nan 8.230 nan 0.000 0.486 1025 T N 2.248 117.146 114.554 0.573 0.000 2.909 1025 T HA 0.763 5.109 4.350 -0.007 0.000 0.299 1025 T C -0.279 174.619 174.700 0.330 0.000 1.073 1025 T CA -0.108 62.225 62.100 0.388 0.000 0.999 1025 T CB 1.479 70.502 68.868 0.258 0.000 1.098 1025 T HN 0.669 nan 8.240 nan 0.000 0.477 1032 K N 1.303 121.876 120.400 0.288 0.000 2.276 1032 K HA 0.601 4.917 4.320 -0.007 0.000 0.283 1032 K C 0.207 176.948 176.600 0.235 0.000 1.044 1032 K CA 0.522 56.942 56.287 0.221 0.000 0.944 1032 K CB 1.493 34.099 32.500 0.176 0.000 1.012 1032 K HN 0.100 nan 8.250 nan 0.000 0.472 1033 V N 1.842 121.902 119.914 0.244 0.000 3.548 1033 V HA 0.036 4.152 4.120 -0.007 0.000 0.279 1033 V C 0.592 176.875 176.094 0.316 0.000 1.446 1033 V CA 0.871 63.361 62.300 0.317 0.000 1.023 1033 V CB -0.950 31.055 31.823 0.303 0.000 0.820 1033 V HN 1.130 nan 8.190 nan 0.000 0.438 1034 N N 2.005 120.852 118.700 0.244 0.000 2.071 1034 N HA -0.021 4.715 4.740 -0.007 0.000 0.254 1034 N C -0.061 175.615 175.510 0.276 0.000 1.227 1034 N CA 1.284 54.468 53.050 0.224 0.000 0.851 1034 N CB 0.250 38.844 38.487 0.178 0.000 1.062 1034 N HN 0.427 nan 8.380 nan 0.000 0.471 1035 A N 0.338 123.315 122.820 0.262 0.000 3.158 1035 A HA 0.424 4.740 4.320 -0.007 0.000 0.319 1035 A C 0.586 178.317 177.584 0.245 0.000 1.204 1035 A CA -0.661 51.564 52.037 0.312 0.000 0.992 1035 A CB -0.276 18.955 19.000 0.385 0.000 1.110 1035 A HN 0.628 nan 8.150 nan 0.000 0.519 1036 S N 0.606 116.439 115.700 0.221 0.000 2.438 1036 S HA 0.342 4.808 4.470 -0.007 0.000 0.220 1036 S C 1.530 176.230 174.600 0.166 0.000 1.045 1036 S CA 0.549 58.849 58.200 0.165 0.000 0.940 1036 S CB -0.199 63.079 63.200 0.130 0.000 0.863 1036 S HN 1.000 nan 8.310 nan 0.000 0.539 1037 A N 1.669 124.592 122.820 0.172 0.000 2.552 1037 A HA 0.228 4.544 4.320 -0.007 0.000 0.241 1037 A C 1.116 178.822 177.584 0.203 0.000 1.103 1037 A CA 0.784 52.906 52.037 0.142 0.000 0.789 1037 A CB -0.009 19.049 19.000 0.097 0.000 1.050 1037 A HN 0.590 nan 8.150 nan 0.000 0.515 1038 S N -1.812 113.959 115.700 0.118 0.000 2.684 1038 S HA 0.295 4.761 4.470 -0.007 0.000 0.268 1038 S C 0.487 175.104 174.600 0.029 0.000 1.075 1038 S CA 0.390 58.690 58.200 0.168 0.000 1.184 1038 S CB 0.020 63.283 63.200 0.104 0.000 1.129 1038 S HN 0.591 nan 8.310 nan 0.000 0.630 1039 S N 1.270 116.873 115.700 -0.162 0.000 2.681 1039 S HA 0.619 5.085 4.470 -0.007 0.000 0.299 1039 S C -0.800 173.355 174.600 -0.742 0.000 1.113 1039 S CA -0.723 57.272 58.200 -0.342 0.000 1.013 1039 S CB 1.484 64.574 63.200 -0.184 0.000 1.076 1039 S HN 0.485 nan 8.310 nan 0.000 0.534 1040 L N 2.850 123.600 121.223 -0.788 0.000 2.282 1040 L HA 0.450 4.786 4.340 -0.007 0.000 0.287 1040 L C -1.032 175.700 176.870 -0.231 0.000 1.075 1040 L CA 0.182 54.621 54.840 -0.669 0.000 0.839 1040 L CB -0.313 41.500 42.059 -0.410 0.000 1.219 1040 L HN 0.497 nan 8.230 nan 0.000 0.434 1041 K N 4.740 125.041 120.400 -0.165 0.000 2.565 1041 K HA 0.339 4.655 4.320 -0.007 0.000 0.251 1041 K C -0.270 176.277 176.600 -0.088 0.000 0.956 1041 K CA -0.975 55.268 56.287 -0.073 0.000 0.809 1041 K CB 2.421 34.880 32.500 -0.068 0.000 1.267 1041 K HN 0.360 nan 8.250 nan 0.000 0.438 1042 K N 0.870 121.217 120.400 -0.089 0.000 3.860 1042 K HA -0.343 3.973 4.320 -0.007 0.000 0.215 1042 K C 0.612 177.017 176.600 -0.325 0.000 0.729 1042 K CA 2.422 58.563 56.287 -0.242 0.000 0.634 1042 K CB -0.854 31.477 32.500 -0.282 0.000 0.774 1042 K HN 0.663 nan 8.250 nan 0.000 0.793 1043 K N 1.065 121.259 120.400 -0.343 0.000 2.588 1043 K HA -0.201 4.115 4.320 -0.007 0.000 0.196 1043 K C 1.409 177.904 176.600 -0.175 0.000 1.044 1043 K CA 1.535 57.663 56.287 -0.265 0.000 0.934 1043 K CB -0.180 32.238 32.500 -0.138 0.000 0.773 1043 K HN 0.248 nan 8.250 nan 0.000 0.489 1044 Q N 0.091 119.830 119.800 -0.102 0.000 2.247 1044 Q HA 0.182 4.518 4.340 -0.007 0.000 0.211 1044 Q C -0.046 176.013 176.000 0.098 0.000 0.861 1044 Q CA -0.057 55.799 55.803 0.089 0.000 0.949 1044 Q CB 0.567 29.379 28.738 0.123 0.000 1.115 1044 Q HN 0.383 nan 8.270 nan 0.000 0.507 1045 I N -1.409 119.104 120.570 -0.094 0.000 2.337 1045 I HA 0.416 4.582 4.170 -0.007 0.000 0.291 1045 I C -0.969 175.009 176.117 -0.232 0.000 1.046 1045 I CA -0.597 60.680 61.300 -0.039 0.000 1.324 1045 I CB 0.231 38.226 38.000 -0.008 0.000 1.409 1045 I HN -0.059 nan 8.210 nan 0.000 0.494 1046 W N 4.821 126.053 121.300 -0.114 0.000 2.532 1046 W HA 0.540 5.196 4.660 -0.007 0.000 0.321 1046 W C 0.033 176.138 176.519 -0.690 0.000 1.037 1046 W CA -0.364 56.837 57.345 -0.239 0.000 1.220 1046 W CB 2.212 31.651 29.460 -0.035 0.000 1.361 1046 W HN 0.442 nan 8.180 nan 0.000 0.468 1059 A N -0.667 122.122 122.820 -0.053 0.000 2.519 1059 A HA 0.728 5.044 4.320 -0.007 0.000 0.298 1059 A C -1.062 176.505 177.584 -0.028 0.000 0.963 1059 A CA 0.049 52.054 52.037 -0.054 0.000 0.624 1059 A CB -0.265 18.685 19.000 -0.082 0.000 1.356 1059 A HN 1.999 nan 8.150 nan 0.000 0.441 1060 V N -1.992 117.918 119.914 -0.006 0.000 2.789 1060 V HA 0.788 4.904 4.120 -0.007 0.000 0.311 1060 V C -0.042 176.098 176.094 0.076 0.000 1.073 1060 V CA -0.841 61.482 62.300 0.039 0.000 0.921 1060 V CB 0.924 32.785 31.823 0.063 0.000 1.009 1060 V HN 1.528 nan 8.190 nan 0.000 0.426 1061 C N 4.725 124.083 119.300 0.096 0.000 2.398 1061 C HA 0.907 5.363 4.460 -0.007 0.000 0.364 1061 C C 0.074 175.232 174.990 0.280 0.000 1.219 1061 C CA -0.375 58.742 59.018 0.165 0.000 2.312 1061 C CB 0.582 28.394 27.740 0.119 0.000 2.428 1061 C HN 0.873 nan 8.230 nan 0.000 0.564 1065 H N 1.372 120.156 119.070 -0.476 0.000 2.426 1065 H HA 0.102 4.655 4.556 -0.006 0.000 0.298 1065 H C 1.224 176.433 175.328 -0.199 0.000 1.107 1065 H CA 2.625 58.490 56.048 -0.304 0.000 1.298 1065 H CB -0.156 29.450 29.762 -0.260 0.000 1.377 1065 H HN 0.501 nan 8.280 nan 0.000 0.519 1066 L N -1.131 119.954 121.223 -0.230 0.000 2.653 1066 L HA 0.278 4.614 4.340 -0.007 0.000 0.231 1066 L C 1.497 178.264 176.870 -0.171 0.000 1.153 1066 L CA 0.325 55.047 54.840 -0.196 0.000 0.933 1066 L CB 0.154 42.180 42.059 -0.055 0.000 1.175 1066 L HN 0.521 nan 8.230 nan 0.000 0.473 1067 G N 0.813 109.472 108.800 -0.234 0.000 2.147 1067 G HA2 -0.251 3.705 3.960 -0.007 0.000 0.244 1067 G HA3 -0.251 3.705 3.960 -0.007 0.000 0.244 1067 G C 0.419 175.178 174.900 -0.235 0.000 1.005 1067 G CA -0.012 44.947 45.100 -0.234 0.000 0.713 1067 G HN 0.411 nan 8.290 nan 0.000 0.515 1068 R N -1.371 118.998 120.500 -0.218 0.000 2.527 1068 R HA 0.744 5.080 4.340 -0.007 0.000 0.243 1068 R C -0.492 175.641 176.300 -0.278 0.000 1.206 1068 R CA -0.489 55.576 56.100 -0.058 0.000 1.134 1068 R CB 0.681 31.018 30.300 0.062 0.000 1.347 1068 R HN 0.264 nan 8.270 nan 0.000 0.580 1069 Y N -0.575 119.799 120.300 0.123 0.000 2.524 1069 Y HA 0.259 4.804 4.550 -0.008 0.000 0.347 1069 Y C -0.191 175.825 175.900 0.192 0.000 1.005 1069 Y CA -1.222 56.976 58.100 0.164 0.000 1.025 1069 Y CB 1.316 39.834 38.460 0.097 0.000 1.275 1069 Y HN 0.247 nan 8.280 nan 0.000 0.460 1070 L N 2.435 123.889 121.223 0.386 0.000 2.482 1070 L HA 0.558 4.894 4.340 -0.007 0.000 0.273 1070 L C -0.180 176.845 176.870 0.259 0.000 1.228 1070 L CA 0.382 55.416 54.840 0.323 0.000 0.827 1070 L CB 0.443 42.705 42.059 0.339 0.000 1.099 1070 L HN 0.789 nan 8.230 nan 0.000 0.494 1071 A N 3.305 126.265 122.820 0.234 0.000 2.512 1071 A HA 0.728 5.044 4.320 -0.007 0.000 0.290 1071 A C -1.113 176.560 177.584 0.149 0.000 1.041 1071 A CA -0.058 52.048 52.037 0.115 0.000 0.911 1071 A CB 0.460 19.502 19.000 0.069 0.000 1.407 1071 A HN 0.982 nan 8.150 nan 0.000 0.398 1072 A N 2.937 125.837 122.820 0.133 0.000 2.288 1072 A HA 0.739 5.055 4.320 -0.007 0.000 0.320 1072 A C -0.081 177.515 177.584 0.020 0.000 1.217 1072 A CA -0.181 51.952 52.037 0.160 0.000 0.840 1072 A CB 0.385 19.563 19.000 0.298 0.000 1.179 1072 A HN 1.028 nan 8.150 nan 0.000 0.504 1073 D N 1.565 121.906 120.400 -0.098 0.000 2.539 1073 D HA 0.202 4.838 4.640 -0.007 0.000 0.276 1073 D C 0.899 176.787 176.300 -0.687 0.000 1.206 1073 D CA -0.582 53.213 54.000 -0.341 0.000 1.081 1073 D CB 0.481 41.205 40.800 -0.127 0.000 1.142 1073 D HN 0.301 nan 8.370 nan 0.000 0.595 1074 K N -0.925 119.104 120.400 -0.619 0.000 2.152 1074 K HA -0.111 4.205 4.320 -0.007 0.000 0.206 1074 K C 0.419 176.991 176.600 -0.047 0.000 1.048 1074 K CA 1.532 57.601 56.287 -0.363 0.000 0.933 1074 K CB -0.095 32.346 32.500 -0.097 0.000 0.721 1074 K HN 0.377 nan 8.250 nan 0.000 0.447 1075 D N -1.091 119.340 120.400 0.052 0.000 2.358 1075 D HA 0.140 4.776 4.640 -0.007 0.000 0.224 1075 D C 0.542 177.057 176.300 0.358 0.000 1.123 1075 D CA 0.677 54.833 54.000 0.261 0.000 0.833 1075 D CB 0.557 41.419 40.800 0.103 0.000 0.946 1075 D HN 0.409 nan 8.370 nan 0.000 0.505 1076 G N 1.690 110.671 108.800 0.302 0.000 2.143 1076 G HA2 -0.292 3.664 3.960 -0.007 0.000 0.248 1076 G HA3 -0.292 3.664 3.960 -0.007 0.000 0.248 1076 G C -0.055 174.948 174.900 0.171 0.000 0.991 1076 G CA -0.482 44.807 45.100 0.314 0.000 0.689 1076 G HN 0.393 nan 8.290 nan 0.000 0.522 1077 N N 0.479 119.238 118.700 0.097 0.000 2.402 1077 N HA 0.329 5.065 4.740 -0.007 0.000 0.259 1077 N C 0.229 175.806 175.510 0.112 0.000 1.167 1077 N CA -0.340 52.756 53.050 0.077 0.000 0.949 1077 N CB 1.167 39.677 38.487 0.038 0.000 1.212 1077 N HN 0.088 nan 8.380 nan 0.000 0.493 1078 V N 3.057 123.061 119.914 0.149 0.000 2.455 1078 V HA 0.155 4.271 4.120 -0.007 0.000 0.273 1078 V C 0.443 176.648 176.094 0.184 0.000 1.045 1078 V CA 0.139 62.574 62.300 0.226 0.000 0.976 1078 V CB 0.800 32.794 31.823 0.284 0.000 0.993 1078 V HN 0.591 nan 8.190 nan 0.000 0.475 1079 T N 3.224 117.886 114.554 0.182 0.000 2.906 1079 T HA 0.357 4.703 4.350 -0.007 0.000 0.295 1079 T C -0.401 174.394 174.700 0.159 0.000 1.061 1079 T CA -0.460 61.713 62.100 0.121 0.000 1.000 1079 T CB 1.768 70.671 68.868 0.057 0.000 1.103 1079 T HN 0.629 nan 8.240 nan 0.000 0.486 1080 C N 2.495 121.876 119.300 0.135 0.000 3.158 1080 C HA 0.378 4.834 4.460 -0.007 0.000 0.228 1080 C C 0.398 175.460 174.990 0.119 0.000 2.110 1080 C CA -0.406 58.729 59.018 0.195 0.000 1.407 1080 C CB -1.442 26.491 27.740 0.321 0.000 2.635 1080 C HN 1.006 nan 8.230 nan 0.000 0.509 1081 E N 0.562 120.778 120.200 0.027 0.000 2.968 1081 E HA 0.221 4.567 4.350 -0.007 0.000 0.202 1081 E C -0.247 176.355 176.600 0.004 0.000 0.979 1081 E CA -0.170 56.188 56.400 -0.070 0.000 1.192 1081 E CB 0.629 30.046 29.700 -0.470 0.000 1.059 1081 E HN 0.486 nan 8.360 nan 0.000 0.470 1082 R N 1.511 122.075 120.500 0.105 0.000 2.310 1082 R HA 0.208 4.544 4.340 -0.007 0.000 0.324 1082 R C 0.165 176.621 176.300 0.260 0.000 0.955 1082 R CA -0.482 55.691 56.100 0.122 0.000 0.830 1082 R CB 1.073 31.419 30.300 0.077 0.000 1.154 1082 R HN 0.034 nan 8.270 nan 0.000 0.458 1083 E N 1.774 122.091 120.200 0.195 0.000 2.463 1083 E HA 0.020 4.366 4.350 -0.007 0.000 0.191 1083 E C 0.194 176.909 176.600 0.191 0.000 1.083 1083 E CA 0.215 56.772 56.400 0.261 0.000 0.872 1083 E CB 0.104 29.895 29.700 0.151 0.000 0.966 1083 E HN 0.364 nan 8.360 nan 0.000 0.491 1084 V N -2.419 117.487 119.914 -0.013 0.000 2.697 1084 V HA 0.329 4.445 4.120 -0.007 0.000 0.296 1084 V C -2.983 172.900 176.094 -0.352 0.000 1.140 1084 V CA -2.657 59.502 62.300 -0.234 0.000 0.921 1084 V CB 1.677 33.443 31.823 -0.095 0.000 1.036 1084 V HN -0.248 nan 8.190 nan 0.000 0.438 1085 P HA 0.228 nan 4.420 nan 0.000 0.261 1085 P C 0.601 177.777 177.300 -0.206 0.000 1.158 1085 P CA 1.400 64.260 63.100 -0.400 0.000 0.758 1085 P CB 0.478 31.970 31.700 -0.345 0.000 0.763 1086 G N 3.740 112.452 108.800 -0.147 0.000 3.107 1086 G HA2 0.478 4.434 3.960 -0.007 0.000 0.232 1086 G HA3 0.478 4.434 3.960 -0.007 0.000 0.232 1086 G C -1.887 172.951 174.900 -0.104 0.000 1.339 1086 G CA -0.731 44.310 45.100 -0.099 0.000 1.033 1086 G HN 0.233 nan 8.290 nan 0.000 0.567 1087 P HA 0.088 nan 4.420 nan 0.000 0.222 1087 P C -0.029 177.192 177.300 -0.131 0.000 1.157 1087 P CA 1.047 64.088 63.100 -0.098 0.000 0.816 1087 P CB 0.272 31.935 31.700 -0.062 0.000 0.813 1088 D N -1.792 118.559 120.400 -0.083 0.000 2.559 1088 D HA 0.101 4.737 4.640 -0.007 0.000 0.234 1088 D C 0.791 176.971 176.300 -0.199 0.000 1.226 1088 D CA -0.387 53.568 54.000 -0.074 0.000 0.830 1088 D CB -1.250 39.642 40.800 0.154 0.000 1.028 1088 D HN 0.044 nan 8.370 nan 0.000 0.492 1089 C N 0.366 119.531 119.300 -0.224 0.000 2.780 1089 C HA 0.226 4.682 4.460 -0.007 0.000 0.267 1089 C C 0.821 175.580 174.990 -0.386 0.000 1.266 1089 C CA -0.295 58.584 59.018 -0.231 0.000 1.709 1089 C CB -0.566 27.112 27.740 -0.104 0.000 1.975 1089 C HN 0.231 nan 8.230 nan 0.000 0.582 1090 R N 0.133 120.372 120.500 -0.436 0.000 2.404 1090 R HA 0.581 4.917 4.340 -0.007 0.000 0.291 1090 R C -1.266 174.663 176.300 -0.619 0.000 1.025 1090 R CA 0.090 55.962 56.100 -0.380 0.000 0.991 1090 R CB 0.728 30.895 30.300 -0.221 0.000 1.053 1090 R HN 0.124 nan 8.270 nan 0.000 0.479 1091 F N 1.153 121.043 119.950 -0.100 0.000 2.579 1091 F HA 0.422 4.945 4.527 -0.007 0.000 0.324 1091 F C 0.050 175.762 175.800 -0.146 0.000 1.058 1091 F CA -1.101 56.817 58.000 -0.136 0.000 0.944 1091 F CB 1.465 40.353 39.000 -0.186 0.000 1.245 1091 F HN 0.143 nan 8.300 nan 0.000 0.477 1092 L N 4.072 125.333 121.223 0.063 0.000 2.335 1092 L HA 0.413 4.749 4.340 -0.007 0.000 0.268 1092 L C -1.039 175.781 176.870 -0.084 0.000 1.037 1092 L CA -0.627 54.191 54.840 -0.036 0.000 0.895 1092 L CB 0.192 42.218 42.059 -0.054 0.000 1.266 1092 L HN 0.377 nan 8.230 nan 0.000 0.439 1093 I N 3.441 123.895 120.570 -0.192 0.000 2.436 1093 I HA 0.088 4.254 4.170 -0.007 0.000 0.289 1093 I C 0.259 176.205 176.117 -0.286 0.000 1.083 1093 I CA 0.270 61.340 61.300 -0.384 0.000 1.372 1093 I CB 1.025 38.523 38.000 -0.837 0.000 1.408 1093 I HN 0.156 nan 8.210 nan 0.000 0.516 1094 V N 7.114 126.912 119.914 -0.194 0.000 2.445 1094 V HA 0.595 4.711 4.120 -0.007 0.000 0.283 1094 V C 0.605 176.602 176.094 -0.161 0.000 1.014 1094 V CA -0.876 61.340 62.300 -0.139 0.000 0.852 1094 V CB 1.124 32.915 31.823 -0.052 0.000 1.021 1094 V HN 0.936 nan 8.190 nan 0.000 0.435 1095 A N 4.853 127.657 122.820 -0.027 0.000 2.377 1095 A HA 0.356 4.672 4.320 -0.007 0.000 0.274 1095 A C 0.407 177.917 177.584 -0.123 0.000 1.178 1095 A CA 0.529 52.676 52.037 0.183 0.000 0.836 1095 A CB 0.123 19.411 19.000 0.480 0.000 1.111 1095 A HN 0.866 nan 8.150 nan 0.000 0.517 1096 H N -1.858 117.296 119.070 0.141 0.000 3.513 1096 H HA 0.227 4.779 4.556 -0.006 0.000 0.278 1096 H C 0.187 175.525 175.328 0.015 0.000 1.683 1096 H CA -0.367 55.719 56.048 0.063 0.000 1.552 1096 H CB 0.170 29.966 29.762 0.056 0.000 1.474 1096 H HN 0.714 nan 8.280 nan 0.000 0.870 1097 D N 0.431 120.925 120.400 0.156 0.000 1.989 1097 D HA -0.081 4.555 4.640 -0.007 0.000 0.259 1097 D C 0.473 176.787 176.300 0.023 0.000 0.992 1097 D CA 1.091 55.116 54.000 0.042 0.000 0.912 1097 D CB -0.463 40.351 40.800 0.023 0.000 1.083 1097 D HN 0.476 nan 8.370 nan 0.000 0.441 1098 D N -0.166 120.236 120.400 0.005 0.000 2.336 1098 D HA 0.268 4.904 4.640 -0.007 0.000 0.228 1098 D C 0.847 177.143 176.300 -0.005 0.000 1.120 1098 D CA -0.058 53.932 54.000 -0.017 0.000 0.839 1098 D CB 0.178 40.956 40.800 -0.037 0.000 0.932 1098 D HN 0.147 nan 8.370 nan 0.000 0.509 1099 G N -0.046 108.781 108.800 0.045 0.000 2.624 1099 G HA2 0.477 4.433 3.960 -0.007 0.000 0.217 1099 G HA3 0.477 4.433 3.960 -0.007 0.000 0.217 1099 G C 0.268 175.237 174.900 0.115 0.000 1.506 1099 G CA -0.304 44.825 45.100 0.047 0.000 1.072 1099 G HN -0.004 nan 8.290 nan 0.000 0.568 1100 R N -3.244 117.397 120.500 0.234 0.000 2.962 1100 R HA 0.454 4.790 4.340 -0.007 0.000 0.256 1100 R C -0.839 175.737 176.300 0.460 0.000 1.199 1100 R CA -0.793 55.449 56.100 0.236 0.000 1.012 1100 R CB 0.084 30.481 30.300 0.161 0.000 1.289 1100 R HN 0.510 nan 8.270 nan 0.000 0.462 1101 W N -0.101 121.315 121.300 0.193 0.000 1.902 1101 W HA 0.431 5.086 4.660 -0.007 0.000 0.360 1101 W C 0.295 176.981 176.519 0.277 0.000 1.414 1101 W CA -0.107 57.333 57.345 0.158 0.000 1.457 1101 W CB 0.162 29.652 29.460 0.050 0.000 1.279 1101 W HN 0.257 nan 8.180 nan 0.000 0.665 1102 S N 0.976 116.933 115.700 0.429 0.000 2.891 1102 S HA 0.175 4.641 4.470 -0.007 0.000 0.141 1102 S C -1.047 173.693 174.600 0.233 0.000 0.993 1102 S CA -0.682 57.767 58.200 0.416 0.000 1.051 1102 S CB -0.950 62.536 63.200 0.476 0.000 1.657 1102 S HN 0.192 nan 8.310 nan 0.000 0.482 1103 L N 2.731 123.993 121.223 0.065 0.000 2.543 1103 L HA 0.327 4.663 4.340 -0.007 0.000 0.285 1103 L C 0.620 177.528 176.870 0.064 0.000 1.236 1103 L CA 1.078 55.832 54.840 -0.143 0.000 0.871 1103 L CB -0.220 41.424 42.059 -0.691 0.000 1.121 1103 L HN 0.674 nan 8.230 nan 0.000 0.501 1104 Q N 1.958 121.813 119.800 0.092 0.000 2.263 1104 Q HA 0.240 4.577 4.340 -0.007 0.000 0.262 1104 Q C -0.856 175.219 176.000 0.124 0.000 0.984 1104 Q CA -0.496 55.319 55.803 0.020 0.000 0.813 1104 Q CB 1.940 30.484 28.738 -0.323 0.000 1.299 1104 Q HN 0.784 nan 8.270 nan 0.000 0.428 1105 S N 2.292 118.094 115.700 0.169 0.000 2.596 1105 S HA -0.070 4.396 4.470 -0.007 0.000 0.298 1105 S C 0.845 175.372 174.600 -0.121 0.000 1.255 1105 S CA 0.302 58.503 58.200 0.001 0.000 1.083 1105 S CB 1.218 64.486 63.200 0.113 0.000 0.837 1105 S HN 0.854 nan 8.310 nan 0.000 0.499 1106 E N 4.148 124.226 120.200 -0.204 0.000 2.031 1106 E HA -0.119 4.227 4.350 -0.007 0.000 0.193 1106 E C 2.033 178.498 176.600 -0.226 0.000 0.994 1106 E CA 1.406 57.691 56.400 -0.192 0.000 0.800 1106 E CB -0.634 28.952 29.700 -0.190 0.000 0.752 1106 E HN 0.858 nan 8.360 nan 0.000 0.447 1107 A N 1.090 123.706 122.820 -0.339 0.000 1.827 1107 A HA -0.231 4.085 4.320 -0.007 0.000 0.215 1107 A C 2.115 179.467 177.584 -0.387 0.000 1.212 1107 A CA 1.954 53.713 52.037 -0.462 0.000 0.624 1107 A CB -1.342 17.168 19.000 -0.818 0.000 0.853 1107 A HN 0.552 nan 8.150 nan 0.000 0.450 1108 H N -1.288 117.726 119.070 -0.093 0.000 2.521 1108 H HA 0.122 4.674 4.556 -0.007 0.000 0.286 1108 H C 1.593 176.854 175.328 -0.112 0.000 1.034 1108 H CA 1.855 57.852 56.048 -0.086 0.000 1.278 1108 H CB -0.403 29.323 29.762 -0.061 0.000 1.386 1108 H HN 0.743 nan 8.280 nan 0.000 0.567 1109 R N 0.493 120.957 120.500 -0.060 0.000 3.872 1109 R HA -0.153 4.183 4.340 -0.007 0.000 0.341 1109 R C 0.085 176.262 176.300 -0.205 0.000 1.172 1109 R CA 1.072 57.084 56.100 -0.148 0.000 0.901 1109 R CB -2.934 27.300 30.300 -0.110 0.000 1.422 1109 R HN 0.167 nan 8.270 nan 0.000 0.523 1110 R N 0.395 120.833 120.500 -0.104 0.000 2.207 1110 R HA 0.433 4.769 4.340 -0.007 0.000 0.334 1110 R C -0.510 175.802 176.300 0.020 0.000 1.013 1110 R CA -1.237 54.842 56.100 -0.034 0.000 0.858 1110 R CB 0.317 30.643 30.300 0.042 0.000 1.094 1110 R HN 0.480 nan 8.270 nan 0.000 0.457 1111 Y N 3.087 123.486 120.300 0.165 0.000 2.526 1111 Y HA 0.029 4.575 4.550 -0.007 0.000 0.330 1111 Y C 0.746 176.823 175.900 0.294 0.000 1.156 1111 Y CA 0.070 58.304 58.100 0.223 0.000 1.419 1111 Y CB 0.222 38.796 38.460 0.190 0.000 1.250 1111 Y HN 0.456 nan 8.280 nan 0.000 0.540 1112 F N 2.641 122.749 119.950 0.263 0.000 2.404 1112 F HA 0.680 5.204 4.527 -0.006 0.000 0.339 1112 F C 0.571 176.610 175.800 0.399 0.000 1.105 1112 F CA -0.363 57.752 58.000 0.193 0.000 1.087 1112 F CB 1.355 40.321 39.000 -0.056 0.000 1.143 1112 F HN 0.591 nan 8.300 nan 0.000 0.491 1113 G N 3.620 112.341 108.800 -0.133 0.000 4.731 1113 G HA2 0.204 4.160 3.960 -0.007 0.000 0.224 1113 G HA3 0.204 4.160 3.960 -0.007 0.000 0.224 1113 G C 0.251 175.198 174.900 0.079 0.000 0.955 1113 G CA 0.029 45.324 45.100 0.325 0.000 0.809 1113 G HN 1.126 nan 8.290 nan 0.000 0.307 1114 G N 0.651 109.363 108.800 -0.147 0.000 2.690 1114 G HA2 0.465 4.421 3.960 -0.007 0.000 0.239 1114 G HA3 0.465 4.421 3.960 -0.007 0.000 0.239 1114 G C 0.433 175.353 174.900 0.033 0.000 1.233 1114 G CA 0.965 46.031 45.100 -0.058 0.000 0.847 1114 G HN 0.910 nan 8.290 nan 0.000 0.588 1115 T N -2.263 112.293 114.554 0.003 0.000 2.908 1115 T HA 0.615 4.961 4.350 -0.007 0.000 0.290 1115 T C 0.229 174.961 174.700 0.053 0.000 1.034 1115 T CA 0.291 62.399 62.100 0.014 0.000 1.010 1115 T CB 2.365 71.204 68.868 -0.047 0.000 1.068 1115 T HN 0.848 nan 8.240 nan 0.000 0.481 1116 E N 1.274 121.523 120.200 0.081 0.000 3.229 1116 E HA -0.287 4.059 4.350 -0.007 0.000 0.354 1116 E C 0.550 177.209 176.600 0.099 0.000 1.487 1116 E CA 2.394 58.845 56.400 0.085 0.000 1.617 1116 E CB -1.410 28.322 29.700 0.052 0.000 1.768 1116 E HN 0.962 nan 8.360 nan 0.000 0.497 1117 D N -0.073 120.373 120.400 0.076 0.000 2.348 1117 D HA 0.012 4.648 4.640 -0.007 0.000 0.211 1117 D C 0.985 177.325 176.300 0.068 0.000 0.998 1117 D CA 0.881 54.928 54.000 0.079 0.000 0.873 1117 D CB -0.105 40.734 40.800 0.066 0.000 0.925 1117 D HN 0.264 nan 8.370 nan 0.000 0.524 1118 R N 0.662 121.191 120.500 0.050 0.000 2.860 1118 R HA 0.318 4.654 4.340 -0.007 0.000 0.282 1118 R C -1.201 175.108 176.300 0.015 0.000 1.408 1118 R CA -0.614 55.504 56.100 0.030 0.000 1.636 1118 R CB -0.255 30.053 30.300 0.014 0.000 1.187 1118 R HN -0.016 nan 8.270 nan 0.000 0.611 1119 L N 1.861 123.096 121.223 0.020 0.000 2.264 1119 L HA 0.372 4.708 4.340 -0.007 0.000 0.289 1119 L C 0.368 177.211 176.870 -0.045 0.000 1.044 1119 L CA -0.077 54.734 54.840 -0.048 0.000 0.807 1119 L CB 1.603 43.619 42.059 -0.071 0.000 1.192 1119 L HN 0.338 nan 8.230 nan 0.000 0.425 1120 S N 1.496 117.160 115.700 -0.061 0.000 2.607 1120 S HA 0.533 4.999 4.470 -0.007 0.000 0.303 1120 S C -0.459 174.183 174.600 0.070 0.000 1.086 1120 S CA -0.780 57.439 58.200 0.031 0.000 0.995 1120 S CB 1.779 65.010 63.200 0.052 0.000 1.084 1120 S HN 0.662 nan 8.310 nan 0.000 0.507 1121 C N 4.256 123.685 119.300 0.216 0.000 2.566 1121 C HA 0.704 5.160 4.460 -0.007 0.000 0.300 1121 C C -0.097 175.087 174.990 0.323 0.000 1.147 1121 C CA -0.626 58.577 59.018 0.308 0.000 1.644 1121 C CB -2.282 25.700 27.740 0.403 0.000 1.691 1121 C HN 0.935 nan 8.230 nan 0.000 0.440 1122 F N 2.655 122.683 119.950 0.130 0.000 2.995 1122 F HA 0.449 4.972 4.527 -0.007 0.000 0.382 1122 F C 1.190 177.068 175.800 0.130 0.000 1.019 1122 F CA 0.382 58.444 58.000 0.105 0.000 1.078 1122 F CB -0.125 38.913 39.000 0.064 0.000 1.192 1122 F HN 0.477 nan 8.300 nan 0.000 0.553 1123 A N 2.392 125.402 122.820 0.317 0.000 2.515 1123 A HA 0.161 4.477 4.320 -0.007 0.000 0.263 1123 A C 0.855 178.599 177.584 0.268 0.000 1.096 1123 A CA 0.227 52.422 52.037 0.264 0.000 0.769 1123 A CB -0.481 18.660 19.000 0.236 0.000 1.040 1123 A HN 0.576 nan 8.150 nan 0.000 0.505 1124 Q N 2.334 122.236 119.800 0.170 0.000 2.414 1124 Q HA 0.328 4.664 4.340 -0.007 0.000 0.286 1124 Q C -0.086 176.024 176.000 0.184 0.000 0.941 1124 Q CA 0.355 56.269 55.803 0.185 0.000 0.951 1124 Q CB -0.191 28.575 28.738 0.046 0.000 1.188 1124 Q HN 0.651 nan 8.270 nan 0.000 0.418 1125 T N -1.519 113.113 114.554 0.131 0.000 3.094 1125 T HA 0.237 4.583 4.350 -0.007 0.000 0.373 1125 T C -0.611 173.912 174.700 -0.294 0.000 1.806 1125 T CA -0.271 61.735 62.100 -0.157 0.000 1.107 1125 T CB 0.866 69.700 68.868 -0.056 0.000 1.632 1125 T HN 0.455 nan 8.240 nan 0.000 0.488 1126 V N 1.824 121.455 119.914 -0.472 0.000 3.319 1126 V HA 0.921 5.037 4.120 -0.007 0.000 0.303 1126 V C 0.492 176.497 176.094 -0.148 0.000 1.094 1126 V CA 0.127 62.248 62.300 -0.300 0.000 1.106 1126 V CB 1.132 32.799 31.823 -0.260 0.000 1.099 1126 V HN 1.299 nan 8.190 nan 0.000 0.476 1127 S N 1.396 117.033 115.700 -0.106 0.000 2.715 1127 S HA 0.369 4.835 4.470 -0.007 0.000 0.290 1127 S C -2.376 172.164 174.600 -0.099 0.000 1.008 1127 S CA -0.037 58.108 58.200 -0.091 0.000 0.850 1127 S CB 1.621 64.785 63.200 -0.060 0.000 1.059 1127 S HN 0.705 nan 8.310 nan 0.000 0.455 1128 P HA -0.263 nan 4.420 nan 0.000 0.218 1128 P C 1.441 178.636 177.300 -0.175 0.000 1.165 1128 P CA 2.867 65.885 63.100 -0.138 0.000 0.922 1128 P CB -0.378 31.251 31.700 -0.118 0.000 0.794 1129 A N 0.770 123.503 122.820 -0.144 0.000 1.944 1129 A HA -0.259 4.057 4.320 -0.007 0.000 0.222 1129 A C 1.900 179.357 177.584 -0.211 0.000 1.237 1129 A CA 2.562 54.501 52.037 -0.162 0.000 0.668 1129 A CB -1.204 17.746 19.000 -0.083 0.000 0.830 1129 A HN 0.375 nan 8.150 nan 0.000 0.471 1130 E N -0.282 119.866 120.200 -0.087 0.000 2.479 1130 E HA 0.075 4.421 4.350 -0.007 0.000 0.193 1130 E C -0.306 176.363 176.600 0.114 0.000 1.049 1130 E CA 0.059 56.518 56.400 0.099 0.000 0.870 1130 E CB 0.031 29.849 29.700 0.196 0.000 0.944 1130 E HN 0.380 nan 8.360 nan 0.000 0.492 1131 K N 0.763 121.063 120.400 -0.167 0.000 2.172 1131 K HA 0.259 4.575 4.320 -0.007 0.000 0.276 1131 K C -0.724 175.699 176.600 -0.295 0.000 1.013 1131 K CA -0.214 56.031 56.287 -0.070 0.000 0.913 1131 K CB 0.678 33.115 32.500 -0.105 0.000 1.055 1131 K HN 0.016 nan 8.250 nan 0.000 0.461 1132 W N 0.699 122.059 121.300 0.099 0.000 2.631 1132 W HA 0.219 4.876 4.660 -0.006 0.000 0.321 1132 W C 0.181 176.705 176.519 0.008 0.000 1.004 1132 W CA -0.488 56.897 57.345 0.067 0.000 1.291 1132 W CB 1.380 30.922 29.460 0.137 0.000 1.300 1132 W HN 0.321 nan 8.180 nan 0.000 0.422 1133 S N 1.335 117.092 115.700 0.094 0.000 2.560 1133 S HA 0.346 4.812 4.470 -0.007 0.000 0.284 1133 S C -0.139 174.439 174.600 -0.038 0.000 1.327 1133 S CA -0.256 57.936 58.200 -0.013 0.000 1.055 1133 S CB 0.464 63.628 63.200 -0.060 0.000 0.868 1133 S HN 0.219 nan 8.310 nan 0.000 0.506 1134 V N 4.601 124.418 119.914 -0.162 0.000 2.370 1134 V HA 0.273 4.389 4.120 -0.007 0.000 0.283 1134 V C -0.380 175.762 176.094 0.081 0.000 1.023 1134 V CA -0.577 61.610 62.300 -0.189 0.000 0.857 1134 V CB 0.939 32.313 31.823 -0.750 0.000 0.985 1134 V HN 0.835 nan 8.190 nan 0.000 0.443 1135 H N 4.247 123.452 119.070 0.225 0.000 2.623 1135 H HA 0.540 5.092 4.556 -0.007 0.000 0.299 1135 H C -0.309 175.381 175.328 0.604 0.000 1.052 1135 H CA -0.289 55.961 56.048 0.337 0.000 1.231 1135 H CB 0.983 30.856 29.762 0.186 0.000 1.389 1135 H HN 0.597 nan 8.280 nan 0.000 0.469 1136 I N 3.274 124.462 120.570 1.030 0.000 2.365 1136 I HA 0.243 4.409 4.170 -0.007 0.000 0.291 1136 I C 0.165 176.775 176.117 0.823 0.000 1.004 1136 I CA -0.282 61.487 61.300 0.781 0.000 1.311 1136 I CB 1.218 39.430 38.000 0.354 0.000 1.401 1136 I HN 0.683 nan 8.210 nan 0.000 0.491 1137 A N 8.933 132.143 122.820 0.650 0.000 3.219 1137 A HA 0.571 4.887 4.320 -0.007 0.000 0.314 1137 A C -0.146 177.855 177.584 0.696 0.000 1.081 1137 A CA -0.485 51.986 52.037 0.722 0.000 0.995 1137 A CB -0.073 19.302 19.000 0.625 0.000 1.067 1137 A HN 0.718 nan 8.150 nan 0.000 0.533 1138 M N -1.269 118.659 119.600 0.546 0.000 2.664 1138 M HA 0.475 4.951 4.480 -0.007 0.000 0.279 1138 M C -0.873 175.566 176.300 0.232 0.000 1.275 1138 M CA -0.771 54.768 55.300 0.398 0.000 0.829 1138 M CB 1.158 33.912 32.600 0.256 0.000 1.727 1138 M HN 0.274 nan 8.290 nan 0.000 0.459 1139 H N 3.866 123.000 119.070 0.107 0.000 3.086 1139 H HA 0.173 4.726 4.556 -0.005 0.000 0.265 1139 H C -1.731 173.516 175.328 -0.134 0.000 1.092 1139 H CA -0.751 55.273 56.048 -0.039 0.000 1.487 1139 H CB 0.762 30.501 29.762 -0.038 0.000 1.514 1139 H HN 0.464 nan 8.280 nan 0.000 0.497 1140 P HA -0.203 nan 4.420 nan 0.000 0.217 1140 P C -0.024 177.272 177.300 -0.006 0.000 1.148 1140 P CA 1.137 64.108 63.100 -0.215 0.000 0.834 1140 P CB 0.344 31.837 31.700 -0.345 0.000 0.783 1141 Q N 0.557 120.437 119.800 0.133 0.000 2.286 1141 Q HA 0.329 4.665 4.340 -0.007 0.000 0.267 1141 Q C 0.091 176.178 176.000 0.145 0.000 1.028 1141 Q CA -0.166 55.749 55.803 0.187 0.000 0.901 1141 Q CB 0.946 29.848 28.738 0.273 0.000 1.183 1141 Q HN 0.080 nan 8.270 nan 0.000 0.392 1142 V N -0.184 119.782 119.914 0.087 0.000 3.216 1142 V HA 0.485 4.601 4.120 -0.007 0.000 0.302 1142 V C -0.933 175.206 176.094 0.075 0.000 1.286 1142 V CA -1.133 61.215 62.300 0.081 0.000 1.048 1142 V CB 2.163 34.061 31.823 0.126 0.000 1.081 1142 V HN 0.756 nan 8.190 nan 0.000 0.442 1143 N N 0.369 119.121 118.700 0.087 0.000 2.405 1143 N HA 0.726 5.462 4.740 -0.007 0.000 0.269 1143 N C -1.229 174.384 175.510 0.171 0.000 1.249 1143 N CA -0.608 52.513 53.050 0.119 0.000 0.974 1143 N CB 1.425 39.987 38.487 0.126 0.000 1.204 1143 N HN 0.665 nan 8.380 nan 0.000 0.565 1144 I N 1.283 121.985 120.570 0.220 0.000 2.610 1144 I HA 0.204 4.370 4.170 -0.007 0.000 0.289 1144 I C -1.660 174.647 176.117 0.317 0.000 1.163 1144 I CA -0.580 60.837 61.300 0.194 0.000 1.044 1144 I CB 1.841 39.833 38.000 -0.013 0.000 1.251 1144 I HN 0.526 nan 8.210 nan 0.000 0.424 1145 Y N 5.385 125.781 120.300 0.161 0.000 2.433 1145 Y HA 0.619 5.167 4.550 -0.004 0.000 0.337 1145 Y C -1.165 174.793 175.900 0.095 0.000 1.026 1145 Y CA -0.334 57.789 58.100 0.037 0.000 1.037 1145 Y CB 2.022 40.395 38.460 -0.145 0.000 1.245 1145 Y HN 0.480 nan 8.280 nan 0.000 0.443 1146 S N 4.308 119.770 115.700 -0.397 0.000 2.513 1146 S HA 0.360 4.826 4.470 -0.007 0.000 0.299 1146 S C 0.157 174.401 174.600 -0.592 0.000 1.087 1146 S CA -0.723 57.311 58.200 -0.276 0.000 1.012 1146 S CB 1.917 65.096 63.200 -0.035 0.000 1.044 1146 S HN 0.676 nan 8.310 nan 0.000 0.485 1147 V N 2.748 122.486 119.914 -0.293 0.000 2.591 1147 V HA -0.093 4.023 4.120 -0.007 0.000 0.249 1147 V C 2.369 178.364 176.094 -0.165 0.000 1.053 1147 V CA 1.804 63.986 62.300 -0.195 0.000 1.068 1147 V CB -0.537 31.272 31.823 -0.024 0.000 0.689 1147 V HN 0.980 nan 8.190 nan 0.000 0.462 1148 T N -0.319 114.143 114.554 -0.153 0.000 2.624 1148 T HA -0.236 4.110 4.350 -0.007 0.000 0.268 1148 T C 2.170 176.799 174.700 -0.119 0.000 1.041 1148 T CA 1.542 63.568 62.100 -0.124 0.000 1.159 1148 T CB -0.196 68.592 68.868 -0.132 0.000 0.863 1148 T HN 0.228 nan 8.240 nan 0.000 0.434 1149 R N 0.309 120.721 120.500 -0.148 0.000 2.093 1149 R HA 0.064 4.400 4.340 -0.007 0.000 0.224 1149 R C 1.509 177.697 176.300 -0.186 0.000 1.101 1149 R CA 0.713 56.731 56.100 -0.136 0.000 0.979 1149 R CB -0.101 30.127 30.300 -0.120 0.000 0.877 1149 R HN 0.409 nan 8.270 nan 0.000 0.441 1150 K N -1.210 119.001 120.400 -0.316 0.000 3.483 1150 K HA -0.215 4.101 4.320 -0.007 0.000 0.288 1150 K C 0.280 176.638 176.600 -0.403 0.000 0.894 1150 K CA 1.462 57.563 56.287 -0.311 0.000 1.245 1150 K CB -0.625 31.808 32.500 -0.113 0.000 1.368 1150 K HN 0.231 nan 8.250 nan 0.000 0.477 1151 R N -0.599 119.696 120.500 -0.343 0.000 2.700 1151 R HA 0.480 4.816 4.340 -0.007 0.000 0.253 1151 R C -0.085 176.072 176.300 -0.238 0.000 1.091 1151 R CA -0.671 55.323 56.100 -0.177 0.000 1.104 1151 R CB 0.486 30.771 30.300 -0.025 0.000 1.202 1151 R HN -0.037 nan 8.270 nan 0.000 0.532 1152 Y N -0.351 120.020 120.300 0.119 0.000 2.320 1152 Y HA 0.393 4.938 4.550 -0.008 0.000 0.324 1152 Y C 0.162 176.137 175.900 0.125 0.000 1.190 1152 Y CA -0.554 57.651 58.100 0.175 0.000 1.215 1152 Y CB 1.781 40.361 38.460 0.200 0.000 1.221 1152 Y HN 0.543 nan 8.280 nan 0.000 0.486 1153 A N 4.109 127.127 122.820 0.331 0.000 2.316 1153 A HA 0.369 4.685 4.320 -0.007 0.000 0.324 1153 A C -0.484 177.269 177.584 0.282 0.000 1.375 1153 A CA -0.681 51.509 52.037 0.255 0.000 0.882 1153 A CB -0.411 18.678 19.000 0.148 0.000 1.152 1153 A HN 0.840 nan 8.150 nan 0.000 0.512 1154 H N 1.270 120.398 119.070 0.096 0.000 2.816 1154 H HA 0.664 5.216 4.556 -0.006 0.000 0.250 1154 H C -0.921 174.435 175.328 0.046 0.000 1.562 1154 H CA -1.442 54.647 56.048 0.067 0.000 1.630 1154 H CB 0.462 30.264 29.762 0.066 0.000 1.618 1154 H HN 0.557 nan 8.280 nan 0.000 0.912 1155 L N 1.031 122.152 121.223 -0.171 0.000 2.669 1155 L HA 0.301 4.637 4.340 -0.007 0.000 0.273 1155 L C -0.790 175.957 176.870 -0.206 0.000 1.441 1155 L CA -0.181 54.563 54.840 -0.159 0.000 0.745 1155 L CB -0.118 41.916 42.059 -0.041 0.000 1.044 1155 L HN 0.578 nan 8.230 nan 0.000 0.523 1156 S N 0.704 116.174 115.700 -0.382 0.000 2.715 1156 S HA 0.131 4.597 4.470 -0.007 0.000 0.318 1156 S C 1.499 176.041 174.600 -0.098 0.000 1.242 1156 S CA 0.660 58.720 58.200 -0.233 0.000 1.044 1156 S CB 0.941 64.009 63.200 -0.220 0.000 0.760 1156 S HN 0.664 nan 8.310 nan 0.000 0.501 1157 A N 4.106 126.897 122.820 -0.049 0.000 1.943 1157 A HA 0.084 4.400 4.320 -0.007 0.000 0.213 1157 A C 2.106 179.680 177.584 -0.016 0.000 1.181 1157 A CA 0.423 52.446 52.037 -0.024 0.000 0.653 1157 A CB -0.251 18.745 19.000 -0.007 0.000 0.833 1157 A HN 0.598 nan 8.150 nan 0.000 0.451 1158 R N 0.558 121.051 120.500 -0.012 0.000 2.103 1158 R HA -0.054 4.282 4.340 -0.007 0.000 0.234 1158 R C -1.575 174.719 176.300 -0.010 0.000 1.132 1158 R CA 1.231 57.327 56.100 -0.006 0.000 0.925 1158 R CB -2.097 28.203 30.300 0.000 0.000 0.842 1158 R HN 0.331 nan 8.270 nan 0.000 0.430 1159 P HA 0.156 nan 4.420 nan 0.000 0.266 1159 P C -1.207 176.081 177.300 -0.019 0.000 1.419 1159 P CA -0.068 63.022 63.100 -0.016 0.000 1.112 1159 P CB 0.591 32.277 31.700 -0.022 0.000 1.438 1160 A N 3.175 125.988 122.820 -0.011 0.000 2.598 1160 A HA 0.266 4.582 4.320 -0.007 0.000 0.239 1160 A C 1.640 179.218 177.584 -0.010 0.000 1.032 1160 A CA 1.104 53.135 52.037 -0.010 0.000 0.760 1160 A CB -1.322 17.675 19.000 -0.004 0.000 0.946 1160 A HN 0.773 nan 8.150 nan 0.000 0.512 1161 D N -0.066 120.327 120.400 -0.012 0.000 2.382 1161 D HA -0.271 4.365 4.640 -0.007 0.000 0.163 1161 D C 0.458 176.750 176.300 -0.013 0.000 1.469 1161 D CA 2.032 56.027 54.000 -0.008 0.000 1.338 1161 D CB -1.993 38.808 40.800 0.002 0.000 1.241 1161 D HN 1.286 nan 8.370 nan 0.000 0.441 1162 E N 0.483 120.672 120.200 -0.019 0.000 2.220 1162 E HA 0.471 4.817 4.350 -0.007 0.000 0.272 1162 E C 0.495 177.066 176.600 -0.049 0.000 1.099 1162 E CA -0.576 55.811 56.400 -0.021 0.000 0.907 1162 E CB 0.068 29.758 29.700 -0.017 0.000 1.022 1162 E HN 0.643 nan 8.360 nan 0.000 0.428 1163 I N 3.009 123.559 120.570 -0.033 0.000 3.112 1163 I HA 0.186 4.352 4.170 -0.007 0.000 0.284 1163 I C 0.340 176.430 176.117 -0.045 0.000 1.227 1163 I CA 0.331 61.605 61.300 -0.044 0.000 1.369 1163 I CB 0.805 38.804 38.000 -0.000 0.000 1.376 1163 I HN 0.661 nan 8.210 nan 0.000 0.608 1164 A N 3.345 126.141 122.820 -0.040 0.000 2.577 1164 A HA 0.578 4.894 4.320 -0.007 0.000 0.297 1164 A C -0.931 176.751 177.584 0.163 0.000 1.060 1164 A CA -0.443 51.608 52.037 0.023 0.000 0.697 1164 A CB 1.437 20.415 19.000 -0.037 0.000 1.281 1164 A HN 0.342 nan 8.150 nan 0.000 0.402 1165 V N 2.610 122.609 119.914 0.141 0.000 2.737 1165 V HA 0.271 4.387 4.120 -0.007 0.000 0.320 1165 V C -0.538 175.627 176.094 0.118 0.000 1.174 1165 V CA 0.066 62.450 62.300 0.141 0.000 1.355 1165 V CB -0.099 31.767 31.823 0.072 0.000 1.558 1165 V HN 0.839 nan 8.190 nan 0.000 0.618 1166 D N 1.648 122.150 120.400 0.170 0.000 2.749 1166 D HA 0.324 4.960 4.640 -0.007 0.000 0.338 1166 D C 0.056 176.401 176.300 0.074 0.000 1.236 1166 D CA -0.523 53.544 54.000 0.113 0.000 0.845 1166 D CB 0.645 41.515 40.800 0.116 0.000 1.080 1166 D HN 0.620 nan 8.370 nan 0.000 0.497 1167 R N -0.651 119.890 120.500 0.069 0.000 2.561 1167 R HA 0.277 4.613 4.340 -0.007 0.000 0.266 1167 R C 0.101 176.492 176.300 0.152 0.000 1.091 1167 R CA -0.738 55.377 56.100 0.025 0.000 0.927 1167 R CB 0.642 30.843 30.300 -0.165 0.000 1.240 1167 R HN -0.186 nan 8.270 nan 0.000 0.449 1168 D N 1.482 121.956 120.400 0.123 0.000 2.144 1168 D HA -0.081 4.555 4.640 -0.007 0.000 0.200 1168 D C 0.318 176.860 176.300 0.404 0.000 0.978 1168 D CA 0.764 54.887 54.000 0.205 0.000 0.833 1168 D CB 0.298 41.153 40.800 0.091 0.000 0.961 1168 D HN 0.132 nan 8.370 nan 0.000 0.470 1169 V N 1.090 121.123 119.914 0.199 0.000 2.876 1169 V HA 0.392 4.508 4.120 -0.007 0.000 0.312 1169 V C -2.754 173.302 176.094 -0.064 0.000 1.085 1169 V CA -2.292 60.029 62.300 0.035 0.000 0.945 1169 V CB 2.648 34.455 31.823 -0.027 0.000 1.017 1169 V HN -0.110 nan 8.190 nan 0.000 0.428 1170 P HA 0.201 nan 4.420 nan 0.000 0.288 1170 P C -0.933 176.419 177.300 0.088 0.000 1.363 1170 P CA -0.070 62.933 63.100 -0.162 0.000 0.837 1170 P CB 0.144 31.614 31.700 -0.384 0.000 0.981 1171 W N 5.117 126.331 121.300 -0.144 0.000 1.890 1171 W HA 0.462 5.116 4.660 -0.010 0.000 0.293 1171 W C -0.423 176.048 176.519 -0.080 0.000 0.895 1171 W CA -0.043 57.234 57.345 -0.113 0.000 1.968 1171 W CB 1.565 30.962 29.460 -0.106 0.000 2.198 1171 W HN 0.596 nan 8.180 nan 0.000 0.401 1172 G N -0.403 108.353 108.800 -0.073 0.000 2.367 1172 G HA2 0.046 4.002 3.960 -0.007 0.000 0.272 1172 G HA3 0.046 4.002 3.960 -0.007 0.000 0.272 1172 G C 0.137 175.005 174.900 -0.052 0.000 1.271 1172 G CA -0.121 44.938 45.100 -0.068 0.000 0.893 1172 G HN 0.009 nan 8.290 nan 0.000 0.485 1173 V N -0.062 119.838 119.914 -0.023 0.000 2.626 1173 V HA 0.019 4.135 4.120 -0.007 0.000 0.252 1173 V C 1.784 177.885 176.094 0.011 0.000 1.067 1173 V CA 2.374 64.666 62.300 -0.013 0.000 1.081 1173 V CB -0.922 30.897 31.823 -0.006 0.000 0.686 1173 V HN 0.597 nan 8.190 nan 0.000 0.468 1174 D N 0.638 121.067 120.400 0.047 0.000 2.413 1174 D HA 0.029 4.665 4.640 -0.007 0.000 0.262 1174 D C 1.369 177.734 176.300 0.107 0.000 1.254 1174 D CA 0.953 55.011 54.000 0.097 0.000 0.942 1174 D CB -0.114 40.807 40.800 0.202 0.000 0.937 1174 D HN 0.495 nan 8.370 nan 0.000 0.508 1175 S N -0.891 114.840 115.700 0.051 0.000 3.102 1175 S HA 0.054 4.520 4.470 -0.007 0.000 0.265 1175 S C 0.268 174.884 174.600 0.028 0.000 1.072 1175 S CA -0.637 57.595 58.200 0.053 0.000 0.946 1175 S CB 0.286 63.502 63.200 0.028 0.000 0.901 1175 S HN 0.173 nan 8.310 nan 0.000 0.437 1176 L N 4.207 125.432 121.223 0.003 0.000 2.678 1176 L HA 0.127 4.463 4.340 -0.007 0.000 0.285 1176 L C -0.903 175.968 176.870 0.001 0.000 1.233 1176 L CA 0.963 55.802 54.840 -0.001 0.000 0.920 1176 L CB -0.185 41.866 42.059 -0.013 0.000 1.176 1176 L HN 0.209 nan 8.230 nan 0.000 0.495 1177 I N 3.970 124.547 120.570 0.012 0.000 2.722 1177 I HA 0.394 4.560 4.170 -0.007 0.000 0.295 1177 I C -0.405 175.720 176.117 0.012 0.000 1.161 1177 I CA -0.328 60.976 61.300 0.007 0.000 1.032 1177 I CB 2.294 40.305 38.000 0.019 0.000 1.244 1177 I HN 0.648 nan 8.210 nan 0.000 0.421 1178 T N 6.524 121.078 114.554 0.000 0.000 2.863 1178 T HA 0.734 5.080 4.350 -0.007 0.000 0.285 1178 T C -0.254 174.473 174.700 0.046 0.000 1.009 1178 T CA -0.614 61.488 62.100 0.003 0.000 0.989 1178 T CB 1.933 70.781 68.868 -0.032 0.000 1.004 1178 T HN 0.345 nan 8.240 nan 0.000 0.455 1179 L N 1.846 123.098 121.223 0.049 0.000 2.481 1179 L HA 0.661 4.997 4.340 -0.007 0.000 0.255 1179 L C 0.157 177.122 176.870 0.158 0.000 1.192 1179 L CA -0.944 53.962 54.840 0.111 0.000 0.924 1179 L CB 0.615 42.732 42.059 0.096 0.000 1.179 1179 L HN 0.766 nan 8.230 nan 0.000 0.491 1180 A N 0.932 123.855 122.820 0.171 0.000 2.279 1180 A HA 0.779 5.095 4.320 -0.007 0.000 0.303 1180 A C -0.318 177.214 177.584 -0.088 0.000 1.108 1180 A CA -0.431 51.705 52.037 0.165 0.000 0.830 1180 A CB 0.348 19.446 19.000 0.164 0.000 1.106 1180 A HN 0.360 nan 8.150 nan 0.000 0.493 1181 F N 0.990 120.833 119.950 -0.178 0.000 2.549 1181 F HA 0.040 4.563 4.527 -0.006 0.000 0.400 1181 F C 1.300 176.824 175.800 -0.459 0.000 1.011 1181 F CA 1.081 58.762 58.000 -0.532 0.000 1.148 1181 F CB 0.167 38.847 39.000 -0.534 0.000 0.993 1181 F HN 0.491 nan 8.300 nan 0.000 0.540 1182 Q N 4.191 123.760 119.800 -0.385 0.000 2.431 1182 Q HA 0.197 4.533 4.340 -0.007 0.000 0.249 1182 Q C 0.193 176.007 176.000 -0.312 0.000 1.025 1182 Q CA -0.193 55.419 55.803 -0.320 0.000 0.835 1182 Q CB 0.809 29.364 28.738 -0.306 0.000 1.207 1182 Q HN 0.909 nan 8.270 nan 0.000 0.490 1183 D N 1.833 122.078 120.400 -0.259 0.000 4.317 1183 D HA -0.352 4.284 4.640 -0.007 0.000 0.206 1183 D C 0.441 176.579 176.300 -0.271 0.000 0.647 1183 D CA 1.569 55.434 54.000 -0.225 0.000 1.051 1183 D CB -0.388 40.298 40.800 -0.190 0.000 0.501 1183 D HN 0.520 nan 8.370 nan 0.000 0.419 1184 Q N 0.448 120.093 119.800 -0.259 0.000 2.189 1184 Q HA 0.224 4.560 4.340 -0.007 0.000 0.223 1184 Q C 0.566 176.394 176.000 -0.285 0.000 0.828 1184 Q CA -0.077 55.552 55.803 -0.290 0.000 0.967 1184 Q CB 0.977 29.598 28.738 -0.196 0.000 1.139 1184 Q HN 0.307 nan 8.270 nan 0.000 0.497 1185 R N -0.319 120.014 120.500 -0.278 0.000 2.568 1185 R HA 0.342 4.678 4.340 -0.007 0.000 0.206 1185 R C -0.280 175.800 176.300 -0.366 0.000 1.178 1185 R CA -0.150 55.838 56.100 -0.187 0.000 1.040 1185 R CB 0.176 30.376 30.300 -0.168 0.000 1.562 1185 R HN -0.054 nan 8.270 nan 0.000 0.512 1186 Y N 0.138 120.393 120.300 -0.075 0.000 2.325 1186 Y HA 0.088 4.634 4.550 -0.006 0.000 0.336 1186 Y C 0.233 176.123 175.900 -0.016 0.000 1.130 1186 Y CA -0.544 57.538 58.100 -0.030 0.000 1.264 1186 Y CB 1.330 39.797 38.460 0.013 0.000 1.128 1186 Y HN 0.593 nan 8.280 nan 0.000 0.469 1187 S N 1.332 117.027 115.700 -0.009 0.000 2.612 1187 S HA 0.566 5.032 4.470 -0.007 0.000 0.253 1187 S C -0.102 174.624 174.600 0.210 0.000 1.346 1187 S CA -0.287 57.915 58.200 0.003 0.000 0.976 1187 S CB 1.034 64.193 63.200 -0.068 0.000 0.949 1187 S HN 0.734 nan 8.310 nan 0.000 0.584 1188 V N -0.810 119.273 119.914 0.281 0.000 2.531 1188 V HA 0.608 4.724 4.120 -0.007 0.000 0.301 1188 V C -0.688 175.529 176.094 0.204 0.000 1.034 1188 V CA -0.795 61.620 62.300 0.192 0.000 0.865 1188 V CB 1.042 32.927 31.823 0.103 0.000 0.995 1188 V HN 1.041 nan 8.190 nan 0.000 0.424 1189 Q N 3.810 123.683 119.800 0.122 0.000 2.347 1189 Q HA 0.492 4.828 4.340 -0.007 0.000 0.262 1189 Q C 0.530 176.483 176.000 -0.077 0.000 0.980 1189 Q CA -0.247 55.537 55.803 -0.031 0.000 0.867 1189 Q CB 1.931 30.599 28.738 -0.118 0.000 1.242 1189 Q HN 1.044 nan 8.270 nan 0.000 0.453 1190 T N 1.096 115.594 114.554 -0.093 0.000 4.483 1190 T HA 0.094 4.440 4.350 -0.007 0.000 0.446 1190 T C 1.199 175.839 174.700 -0.100 0.000 1.072 1190 T CA 0.372 62.429 62.100 -0.072 0.000 1.041 1190 T CB -0.182 68.652 68.868 -0.057 0.000 1.422 1190 T HN 0.662 nan 8.240 nan 0.000 0.476 1191 A N 0.786 123.560 122.820 -0.076 0.000 2.178 1191 A HA 0.187 4.503 4.320 -0.007 0.000 0.211 1191 A C 0.978 178.504 177.584 -0.096 0.000 1.157 1191 A CA 0.717 52.709 52.037 -0.076 0.000 0.780 1191 A CB -0.475 18.504 19.000 -0.035 0.000 0.828 1191 A HN 0.843 nan 8.150 nan 0.000 0.476 1192 D N -2.801 117.546 120.400 -0.088 0.000 2.891 1192 D HA 0.199 4.835 4.640 -0.007 0.000 0.332 1192 D C 0.330 176.651 176.300 0.034 0.000 1.369 1192 D CA -0.425 53.572 54.000 -0.005 0.000 0.827 1192 D CB -0.830 39.976 40.800 0.010 0.000 1.141 1192 D HN 0.394 nan 8.370 nan 0.000 0.464 1193 H N -0.463 118.493 119.070 -0.190 0.000 4.581 1193 H HA -0.211 4.341 4.556 -0.006 0.000 0.115 1193 H C 0.369 175.299 175.328 -0.664 0.000 0.667 1193 H CA 1.648 57.502 56.048 -0.323 0.000 1.233 1193 H CB -0.921 28.712 29.762 -0.216 0.000 0.683 1193 H HN 0.515 nan 8.280 nan 0.000 0.567 1194 R N 1.446 121.722 120.500 -0.373 0.000 2.594 1194 R HA 0.464 4.800 4.340 -0.007 0.000 0.272 1194 R C -0.369 175.638 176.300 -0.487 0.000 1.074 1194 R CA -0.054 55.783 56.100 -0.438 0.000 1.105 1194 R CB 0.431 30.647 30.300 -0.139 0.000 1.008 1194 R HN -0.084 nan 8.270 nan 0.000 0.472 1195 F N 1.259 121.224 119.950 0.025 0.000 2.457 1195 F HA 0.454 4.977 4.527 -0.007 0.000 0.330 1195 F C 0.088 175.907 175.800 0.031 0.000 1.069 1195 F CA -1.436 56.577 58.000 0.022 0.000 1.009 1195 F CB 0.854 39.854 39.000 0.001 0.000 1.276 1195 F HN 0.373 nan 8.300 nan 0.000 0.492 1196 L N 1.731 123.111 121.223 0.261 0.000 2.322 1196 L HA 0.545 4.881 4.340 -0.007 0.000 0.281 1196 L C -0.180 176.808 176.870 0.198 0.000 1.014 1196 L CA -0.508 54.450 54.840 0.198 0.000 0.815 1196 L CB 1.276 43.454 42.059 0.197 0.000 1.247 1196 L HN 0.682 nan 8.230 nan 0.000 0.421 1197 R N 2.783 123.354 120.500 0.120 0.000 2.528 1197 R HA 0.263 4.599 4.340 -0.007 0.000 0.271 1197 R C 0.315 176.695 176.300 0.135 0.000 1.056 1197 R CA -0.457 55.674 56.100 0.053 0.000 1.117 1197 R CB 0.545 30.783 30.300 -0.104 0.000 1.085 1197 R HN 0.872 nan 8.270 nan 0.000 0.530 1198 H N 1.288 120.464 119.070 0.177 0.000 2.611 1198 H HA -0.036 4.516 4.556 -0.007 0.000 0.283 1198 H C 0.154 175.555 175.328 0.121 0.000 1.075 1198 H CA 0.276 56.444 56.048 0.200 0.000 1.184 1198 H CB -0.185 29.709 29.762 0.219 0.000 1.294 1198 H HN 0.654 nan 8.280 nan 0.000 0.619 1199 D N 0.573 120.936 120.400 -0.060 0.000 2.379 1199 D HA 0.024 4.660 4.640 -0.007 0.000 0.208 1199 D C 1.405 177.720 176.300 0.026 0.000 1.065 1199 D CA 0.499 54.478 54.000 -0.034 0.000 0.848 1199 D CB -0.103 40.642 40.800 -0.092 0.000 0.949 1199 D HN 0.488 nan 8.370 nan 0.000 0.509 1200 G N 1.415 110.252 108.800 0.061 0.000 2.137 1200 G HA2 -0.300 3.656 3.960 -0.007 0.000 0.237 1200 G HA3 -0.300 3.656 3.960 -0.007 0.000 0.237 1200 G C 0.233 175.161 174.900 0.046 0.000 1.002 1200 G CA 0.558 45.697 45.100 0.066 0.000 0.702 1200 G HN 0.647 nan 8.290 nan 0.000 0.515 1201 R N -1.257 119.268 120.500 0.041 0.000 3.112 1201 R HA 0.894 5.230 4.340 -0.007 0.000 0.227 1201 R C -0.623 175.703 176.300 0.043 0.000 1.519 1201 R CA -0.906 55.212 56.100 0.031 0.000 1.051 1201 R CB 0.627 30.937 30.300 0.017 0.000 1.652 1201 R HN 0.091 nan 8.270 nan 0.000 0.517 1202 L N 2.453 123.696 121.223 0.033 0.000 2.385 1202 L HA 0.469 4.805 4.340 -0.007 0.000 0.273 1202 L C -0.329 176.566 176.870 0.043 0.000 0.990 1202 L CA -0.667 54.196 54.840 0.039 0.000 0.821 1202 L CB 1.468 43.534 42.059 0.013 0.000 1.279 1202 L HN 0.689 nan 8.230 nan 0.000 0.412 1203 V N 0.189 120.150 119.914 0.077 0.000 3.240 1203 V HA 0.942 5.058 4.120 -0.007 0.000 0.306 1203 V C 0.627 176.788 176.094 0.112 0.000 1.227 1203 V CA 0.041 62.391 62.300 0.084 0.000 1.047 1203 V CB 1.107 32.984 31.823 0.089 0.000 1.203 1203 V HN 0.759 nan 8.190 nan 0.000 0.471 1204 A N 0.478 123.369 122.820 0.119 0.000 2.109 1204 A HA 0.399 4.715 4.320 -0.007 0.000 0.220 1204 A C 1.235 178.963 177.584 0.239 0.000 1.613 1204 A CA 0.581 52.685 52.037 0.113 0.000 0.620 1204 A CB -0.351 18.691 19.000 0.069 0.000 1.212 1204 A HN 0.964 nan 8.150 nan 0.000 0.508 1205 R N -0.053 120.583 120.500 0.227 0.000 2.691 1205 R HA 0.582 4.918 4.340 -0.007 0.000 0.259 1205 R C -3.116 173.241 176.300 0.094 0.000 1.048 1205 R CA -2.076 54.200 56.100 0.295 0.000 1.086 1205 R CB -0.679 29.696 30.300 0.125 0.000 1.166 1205 R HN 0.179 nan 8.270 nan 0.000 0.526 1206 P HA 0.193 nan 4.420 nan 0.000 0.293 1206 P C -0.398 176.773 177.300 -0.214 0.000 1.298 1206 P CA -0.105 62.729 63.100 -0.444 0.000 0.757 1206 P CB 0.602 31.813 31.700 -0.815 0.000 1.262 1207 E N -2.018 118.058 120.200 -0.206 0.000 1.740 1207 E HA 0.252 4.598 4.350 -0.007 0.000 0.141 1207 E C -2.484 174.038 176.600 -0.130 0.000 1.657 1207 E CA -0.599 55.723 56.400 -0.130 0.000 1.018 1207 E CB -0.713 28.940 29.700 -0.079 0.000 1.903 1207 E HN 0.106 nan 8.360 nan 0.000 0.626 1208 P HA 0.253 nan 4.420 nan 0.000 0.218 1208 P C 0.398 177.670 177.300 -0.047 0.000 1.140 1208 P CA 1.125 64.177 63.100 -0.080 0.000 0.883 1208 P CB 0.117 31.787 31.700 -0.050 0.000 0.828 1209 A N 0.126 122.958 122.820 0.020 0.000 3.026 1209 A HA 0.446 4.762 4.320 -0.007 0.000 0.272 1209 A C 0.500 178.120 177.584 0.060 0.000 1.782 1209 A CA 0.577 52.727 52.037 0.188 0.000 1.451 1209 A CB -1.187 17.844 19.000 0.052 0.000 1.081 1209 A HN 0.213 nan 8.150 nan 0.000 0.611 1210 T N -0.567 113.969 114.554 -0.030 0.000 3.769 1210 T HA 0.233 4.579 4.350 -0.007 0.000 0.271 1210 T C 1.138 175.410 174.700 -0.712 0.000 0.931 1210 T CA 0.339 62.327 62.100 -0.186 0.000 1.159 1210 T CB -0.603 68.145 68.868 -0.201 0.000 1.083 1210 T HN 0.688 nan 8.240 nan 0.000 0.418 1211 G N 0.264 108.660 108.800 -0.675 0.000 2.562 1211 G HA2 0.588 4.544 3.960 -0.007 0.000 0.275 1211 G HA3 0.588 4.544 3.960 -0.007 0.000 0.275 1211 G C -1.418 172.951 174.900 -0.884 0.000 1.196 1211 G CA -0.194 44.410 45.100 -0.827 0.000 0.908 1211 G HN 0.285 nan 8.290 nan 0.000 0.524 1212 Y N -1.693 118.599 120.300 -0.013 0.000 2.638 1212 Y HA 0.605 5.151 4.550 -0.007 0.000 0.339 1212 Y C 0.394 176.342 175.900 0.081 0.000 1.084 1212 Y CA -1.024 57.077 58.100 0.002 0.000 1.068 1212 Y CB 2.061 40.494 38.460 -0.045 0.000 1.294 1212 Y HN 0.647 nan 8.280 nan 0.000 0.480 1213 T N -0.076 114.637 114.554 0.265 0.000 2.812 1213 T HA 0.597 4.943 4.350 -0.007 0.000 0.282 1213 T C -0.907 173.963 174.700 0.283 0.000 0.990 1213 T CA -0.818 61.434 62.100 0.254 0.000 0.960 1213 T CB 0.566 69.579 68.868 0.241 0.000 0.948 1213 T HN 0.507 nan 8.240 nan 0.000 0.438 1214 L N 3.144 124.512 121.223 0.241 0.000 2.385 1214 L HA 0.282 4.618 4.340 -0.007 0.000 0.285 1214 L C 1.199 178.097 176.870 0.047 0.000 1.125 1214 L CA -0.286 54.571 54.840 0.029 0.000 0.890 1214 L CB 0.257 41.969 42.059 -0.579 0.000 1.251 1214 L HN 0.848 nan 8.230 nan 0.000 0.445 1215 E N 4.221 124.463 120.200 0.071 0.000 2.614 1215 E HA 0.032 4.378 4.350 -0.007 0.000 0.321 1215 E C -0.212 176.363 176.600 -0.041 0.000 1.354 1215 E CA -0.567 55.817 56.400 -0.027 0.000 1.469 1215 E CB -0.035 29.737 29.700 0.119 0.000 1.197 1215 E HN 0.272 nan 8.360 nan 0.000 0.497 1216 F N 1.328 121.278 119.950 -0.001 0.000 2.637 1216 F HA -0.091 4.432 4.527 -0.006 0.000 0.372 1216 F C 1.411 177.170 175.800 -0.070 0.000 1.107 1216 F CA 0.871 58.872 58.000 0.001 0.000 1.325 1216 F CB 0.232 39.251 39.000 0.032 0.000 1.016 1216 F HN 0.186 nan 8.300 nan 0.000 0.593 1217 R N 0.774 121.372 120.500 0.164 0.000 2.803 1217 R HA 0.216 4.552 4.340 -0.007 0.000 0.276 1217 R C -0.542 175.783 176.300 0.040 0.000 0.978 1217 R CA -1.034 55.091 56.100 0.041 0.000 0.939 1217 R CB 1.925 32.209 30.300 -0.027 0.000 1.179 1217 R HN 0.576 nan 8.270 nan 0.000 0.472 1218 S N 0.764 116.465 115.700 0.003 0.000 3.184 1218 S HA 0.074 4.540 4.470 -0.007 0.000 0.376 1218 S C 1.224 175.827 174.600 0.006 0.000 1.163 1218 S CA 1.610 59.810 58.200 -0.001 0.000 1.314 1218 S CB -0.792 62.394 63.200 -0.023 0.000 0.962 1218 S HN 0.798 nan 8.310 nan 0.000 0.543 1219 G N 4.979 113.791 108.800 0.020 0.000 2.383 1219 G HA2 -0.218 3.738 3.960 -0.007 0.000 0.229 1219 G HA3 -0.218 3.738 3.960 -0.007 0.000 0.229 1219 G C 0.274 175.205 174.900 0.052 0.000 1.089 1219 G CA 0.504 45.620 45.100 0.026 0.000 0.640 1219 G HN 0.685 nan 8.290 nan 0.000 0.510 1220 K N -0.371 120.064 120.400 0.058 0.000 2.400 1220 K HA 0.810 5.126 4.320 -0.007 0.000 0.249 1220 K C -0.777 175.925 176.600 0.169 0.000 1.069 1220 K CA -0.292 56.045 56.287 0.084 0.000 0.965 1220 K CB 1.974 34.479 32.500 0.009 0.000 1.365 1220 K HN 0.745 nan 8.250 nan 0.000 0.539 1221 V N 0.204 120.196 119.914 0.130 0.000 2.569 1221 V HA 0.554 4.670 4.120 -0.007 0.000 0.301 1221 V C -1.460 174.515 176.094 -0.199 0.000 1.044 1221 V CA -0.551 61.829 62.300 0.133 0.000 0.874 1221 V CB 1.266 33.276 31.823 0.313 0.000 1.002 1221 V HN 0.813 nan 8.190 nan 0.000 0.424 1222 A N 7.037 129.769 122.820 -0.146 0.000 2.276 1222 A HA 0.782 5.098 4.320 -0.007 0.000 0.300 1222 A C -0.680 176.934 177.584 0.050 0.000 1.235 1222 A CA -0.289 51.650 52.037 -0.165 0.000 0.867 1222 A CB 0.102 19.027 19.000 -0.125 0.000 1.137 1222 A HN 0.726 nan 8.150 nan 0.000 0.527 1223 F N 2.237 122.278 119.950 0.151 0.000 2.427 1223 F HA 0.406 4.929 4.527 -0.007 0.000 0.352 1223 F C 1.116 176.997 175.800 0.135 0.000 1.100 1223 F CA -0.416 57.645 58.000 0.101 0.000 1.191 1223 F CB 0.702 39.712 39.000 0.017 0.000 1.128 1223 F HN 0.462 nan 8.300 nan 0.000 0.533 1224 R N 1.840 122.490 120.500 0.250 0.000 2.500 1224 R HA 0.263 4.599 4.340 -0.007 0.000 0.277 1224 R C -0.696 175.692 176.300 0.147 0.000 1.026 1224 R CA -0.533 55.559 56.100 -0.014 0.000 1.058 1224 R CB 1.267 31.549 30.300 -0.031 0.000 1.078 1224 R HN 0.767 nan 8.270 nan 0.000 0.509 1225 D N -0.603 119.816 120.400 0.032 0.000 2.374 1225 D HA 0.067 4.703 4.640 -0.007 0.000 0.239 1225 D C 0.368 176.584 176.300 -0.140 0.000 0.991 1225 D CA -0.794 53.299 54.000 0.156 0.000 0.960 1225 D CB 1.018 41.877 40.800 0.098 0.000 1.284 1225 D HN 0.550 nan 8.370 nan 0.000 0.512 1226 C N 0.751 119.866 119.300 -0.309 0.000 2.327 1226 C HA 0.385 4.841 4.460 -0.007 0.000 0.401 1226 C C 0.600 175.441 174.990 -0.250 0.000 1.297 1226 C CA -0.605 58.261 59.018 -0.254 0.000 1.628 1226 C CB -1.445 26.168 27.740 -0.211 0.000 1.787 1226 C HN 0.501 nan 8.230 nan 0.000 0.590 1227 E N -0.095 119.957 120.200 -0.246 0.000 2.508 1227 E HA 0.223 4.569 4.350 -0.007 0.000 0.217 1227 E C 1.890 178.444 176.600 -0.076 0.000 0.896 1227 E CA 0.924 57.254 56.400 -0.118 0.000 1.118 1227 E CB 0.781 30.440 29.700 -0.068 0.000 1.133 1227 E HN 0.785 nan 8.360 nan 0.000 0.526 1228 G N 2.006 110.734 108.800 -0.121 0.000 2.254 1228 G HA2 -0.262 3.694 3.960 -0.007 0.000 0.225 1228 G HA3 -0.262 3.694 3.960 -0.007 0.000 0.225 1228 G C 0.615 175.396 174.900 -0.199 0.000 1.003 1228 G CA 0.145 45.169 45.100 -0.125 0.000 0.622 1228 G HN 0.154 nan 8.290 nan 0.000 0.507 1229 R N -0.404 120.017 120.500 -0.133 0.000 2.637 1229 R HA 0.669 5.005 4.340 -0.007 0.000 0.269 1229 R C -0.592 175.626 176.300 -0.136 0.000 1.089 1229 R CA 0.019 56.090 56.100 -0.047 0.000 1.177 1229 R CB 0.207 30.535 30.300 0.047 0.000 1.091 1229 R HN 0.294 nan 8.270 nan 0.000 0.540 1230 Y N 0.546 120.877 120.300 0.051 0.000 2.425 1230 Y HA 0.358 4.904 4.550 -0.007 0.000 0.344 1230 Y C -0.394 175.549 175.900 0.070 0.000 0.969 1230 Y CA -0.950 57.184 58.100 0.056 0.000 1.052 1230 Y CB 1.323 39.792 38.460 0.015 0.000 1.215 1230 Y HN 0.263 nan 8.280 nan 0.000 0.451 1231 L N 2.981 124.358 121.223 0.257 0.000 2.417 1231 L HA 0.708 5.044 4.340 -0.007 0.000 0.268 1231 L C -0.026 176.983 176.870 0.233 0.000 1.158 1231 L CA 0.154 55.135 54.840 0.235 0.000 0.819 1231 L CB 0.714 42.898 42.059 0.209 0.000 1.112 1231 L HN 0.823 nan 8.230 nan 0.000 0.458 1232 A N 2.818 125.764 122.820 0.209 0.000 2.590 1232 A HA 0.659 4.975 4.320 -0.007 0.000 0.294 1232 A C -2.788 174.880 177.584 0.140 0.000 1.046 1232 A CA -1.115 50.998 52.037 0.126 0.000 0.684 1232 A CB 0.168 19.165 19.000 -0.005 0.000 1.279 1232 A HN 0.437 nan 8.150 nan 0.000 0.415 1233 P HA 0.255 nan 4.420 nan 0.000 0.270 1233 P C 0.750 178.084 177.300 0.056 0.000 1.216 1233 P CA 0.886 64.042 63.100 0.093 0.000 0.788 1233 P CB 0.748 32.480 31.700 0.053 0.000 0.883 1234 S N -0.807 114.922 115.700 0.048 0.000 4.640 1234 S HA 0.332 4.798 4.470 -0.007 0.000 0.157 1234 S C 0.984 175.599 174.600 0.025 0.000 0.963 1234 S CA 0.448 58.669 58.200 0.034 0.000 1.235 1234 S CB -0.672 62.552 63.200 0.041 0.000 1.848 1234 S HN 0.504 nan 8.310 nan 0.000 0.751 1235 G N 1.914 110.731 108.800 0.027 0.000 2.590 1235 G HA2 0.418 4.374 3.960 -0.007 0.000 0.276 1235 G HA3 0.418 4.374 3.960 -0.007 0.000 0.276 1235 G C -1.827 173.085 174.900 0.020 0.000 1.337 1235 G CA -0.265 44.848 45.100 0.022 0.000 1.030 1235 G HN 0.483 nan 8.290 nan 0.000 0.534 1236 P HA 0.007 nan 4.420 nan 0.000 0.224 1236 P C 2.018 179.336 177.300 0.030 0.000 1.157 1236 P CA 1.419 64.531 63.100 0.020 0.000 0.799 1236 P CB 0.171 31.881 31.700 0.017 0.000 0.809 1237 S N -1.099 114.618 115.700 0.029 0.000 2.595 1237 S HA 0.204 4.670 4.470 -0.007 0.000 0.235 1237 S C 1.256 175.879 174.600 0.038 0.000 0.974 1237 S CA 0.388 58.608 58.200 0.033 0.000 0.942 1237 S CB -1.647 61.565 63.200 0.020 0.000 0.766 1237 S HN 0.343 nan 8.310 nan 0.000 0.536 1238 G N 0.197 109.020 108.800 0.039 0.000 2.692 1238 G HA2 0.062 4.018 3.960 -0.007 0.000 0.248 1238 G HA3 0.062 4.018 3.960 -0.007 0.000 0.248 1238 G C -0.136 174.793 174.900 0.049 0.000 1.340 1238 G CA 0.239 45.368 45.100 0.048 0.000 0.896 1238 G HN 1.981 nan 8.290 nan 0.000 0.570 1246 T N 0.792 115.414 114.554 0.114 0.000 2.577 1246 T HA 0.050 4.396 4.350 -0.007 0.000 0.241 1246 T C 1.039 175.806 174.700 0.112 0.000 1.163 1246 T CA 1.551 63.715 62.100 0.107 0.000 1.401 1246 T CB -0.328 68.569 68.868 0.048 0.000 0.956 1246 T HN 0.760 nan 8.240 nan 0.000 0.397 1247 K N 1.335 121.735 120.400 0.000 0.000 2.118 1247 K HA 0.397 4.713 4.320 -0.007 0.000 0.264 1247 K C -0.544 175.901 176.600 -0.259 0.000 1.000 1247 K CA -0.489 55.752 56.287 -0.077 0.000 0.929 1247 K CB 1.129 33.594 32.500 -0.059 0.000 1.021 1247 K HN 0.106 nan 8.250 nan 0.000 0.463 1248 V N 4.239 123.910 119.914 -0.405 0.000 2.475 1248 V HA 0.170 4.286 4.120 -0.007 0.000 0.292 1248 V C 0.444 176.355 176.094 -0.305 0.000 1.003 1248 V CA 0.958 62.939 62.300 -0.531 0.000 1.120 1248 V CB -0.309 31.227 31.823 -0.477 0.000 0.937 1248 V HN 0.896 nan 8.190 nan 0.000 0.476 1249 G N 5.418 114.047 108.800 -0.285 0.000 2.641 1249 G HA2 0.318 4.274 3.960 -0.007 0.000 0.239 1249 G HA3 0.318 4.274 3.960 -0.007 0.000 0.239 1249 G C 0.515 175.304 174.900 -0.186 0.000 1.402 1249 G CA -0.102 44.884 45.100 -0.191 0.000 1.046 1249 G HN 0.841 nan 8.290 nan 0.000 0.565 1250 K N -0.579 119.733 120.400 -0.148 0.000 2.486 1250 K HA 0.074 4.390 4.320 -0.007 0.000 0.194 1250 K C 0.575 177.077 176.600 -0.163 0.000 1.033 1250 K CA 1.451 57.655 56.287 -0.137 0.000 1.004 1250 K CB 0.202 32.641 32.500 -0.102 0.000 0.798 1250 K HN 0.516 nan 8.250 nan 0.000 0.495 1251 D N 1.320 121.603 120.400 -0.195 0.000 2.597 1251 D HA -0.059 4.577 4.640 -0.007 0.000 0.261 1251 D C 0.898 176.969 176.300 -0.382 0.000 1.023 1251 D CA 0.078 53.939 54.000 -0.231 0.000 0.927 1251 D CB -0.248 40.451 40.800 -0.169 0.000 1.168 1251 D HN 0.064 nan 8.370 nan 0.000 0.491 1252 E N 0.808 120.779 120.200 -0.382 0.000 2.517 1252 E HA 0.013 4.359 4.350 -0.007 0.000 0.207 1252 E C 0.102 176.289 176.600 -0.689 0.000 1.144 1252 E CA 0.369 56.465 56.400 -0.508 0.000 0.920 1252 E CB -0.186 29.305 29.700 -0.349 0.000 0.867 1252 E HN 0.361 nan 8.360 nan 0.000 0.580 1253 L N 0.431 121.272 121.223 -0.637 0.000 2.322 1253 L HA 0.388 4.724 4.340 -0.007 0.000 0.279 1253 L C -0.369 176.143 176.870 -0.596 0.000 1.036 1253 L CA -0.510 54.029 54.840 -0.502 0.000 0.807 1253 L CB 0.610 42.513 42.059 -0.259 0.000 1.226 1253 L HN -0.062 nan 8.230 nan 0.000 0.433 1254 F N 1.119 120.935 119.950 -0.224 0.000 2.499 1254 F HA 0.460 4.983 4.527 -0.007 0.000 0.333 1254 F C 0.604 176.394 175.800 -0.016 0.000 1.138 1254 F CA -1.005 56.893 58.000 -0.170 0.000 0.945 1254 F CB 1.738 40.516 39.000 -0.371 0.000 1.181 1254 F HN 0.493 nan 8.300 nan 0.000 0.435 1255 A N 5.500 128.497 122.820 0.294 0.000 2.515 1255 A HA 0.432 4.748 4.320 -0.007 0.000 0.263 1255 A C -0.324 177.424 177.584 0.273 0.000 1.096 1255 A CA -0.024 52.171 52.037 0.264 0.000 0.769 1255 A CB -0.360 18.828 19.000 0.312 0.000 1.040 1255 A HN 0.764 nan 8.150 nan 0.000 0.505 1256 L N 4.528 125.893 121.223 0.237 0.000 2.321 1256 L HA 0.278 4.614 4.340 -0.007 0.000 0.272 1256 L C 0.183 177.159 176.870 0.177 0.000 1.050 1256 L CA -0.257 54.720 54.840 0.229 0.000 0.893 1256 L CB 0.369 42.595 42.059 0.278 0.000 1.272 1256 L HN 0.844 nan 8.230 nan 0.000 0.435 1257 E N 2.571 122.870 120.200 0.165 0.000 2.231 1257 E HA 0.336 4.682 4.350 -0.007 0.000 0.277 1257 E C -0.829 175.817 176.600 0.076 0.000 0.999 1257 E CA -0.983 55.487 56.400 0.116 0.000 0.827 1257 E CB 1.286 31.056 29.700 0.117 0.000 1.101 1257 E HN 0.384 nan 8.360 nan 0.000 0.393 1258 Q N 1.101 120.926 119.800 0.040 0.000 2.342 1258 Q HA -0.020 4.316 4.340 -0.007 0.000 0.330 1258 Q C -0.291 175.685 176.000 -0.039 0.000 1.117 1258 Q CA 0.571 56.362 55.803 -0.019 0.000 1.010 1258 Q CB 0.532 29.252 28.738 -0.031 0.000 1.204 1258 Q HN 0.469 nan 8.270 nan 0.000 0.400 1259 S N 1.347 116.995 115.700 -0.088 0.000 2.475 1259 S HA 0.394 4.860 4.470 -0.007 0.000 0.298 1259 S C -0.555 173.972 174.600 -0.121 0.000 1.119 1259 S CA -0.853 57.292 58.200 -0.091 0.000 1.085 1259 S CB 0.675 63.834 63.200 -0.069 0.000 1.028 1259 S HN 0.657 nan 8.310 nan 0.000 0.489 1260 C N 3.208 122.450 119.300 -0.096 0.000 2.349 1260 C HA 0.826 5.282 4.460 -0.007 0.000 0.361 1260 C C 0.995 175.977 174.990 -0.012 0.000 1.189 1260 C CA -0.826 58.160 59.018 -0.054 0.000 2.155 1260 C CB 0.619 28.311 27.740 -0.080 0.000 2.336 1260 C HN 1.017 nan 8.230 nan 0.000 0.540 1261 A N 2.083 124.937 122.820 0.056 0.000 2.524 1261 A HA 0.339 4.655 4.320 -0.007 0.000 0.250 1261 A C -0.046 177.373 177.584 -0.274 0.000 1.078 1261 A CA 0.408 52.335 52.037 -0.183 0.000 0.761 1261 A CB 0.013 18.603 19.000 -0.685 0.000 1.012 1261 A HN 0.864 nan 8.150 nan 0.000 0.500 1262 Q N 0.920 120.563 119.800 -0.261 0.000 2.337 1262 Q HA 0.627 4.963 4.340 -0.007 0.000 0.266 1262 Q C -0.798 175.096 176.000 -0.177 0.000 1.023 1262 Q CA -0.892 54.728 55.803 -0.304 0.000 0.829 1262 Q CB 2.244 30.692 28.738 -0.483 0.000 1.306 1262 Q HN 0.825 nan 8.270 nan 0.000 0.449 1263 V N -1.744 118.126 119.914 -0.075 0.000 3.012 1263 V HA 0.552 4.668 4.120 -0.007 0.000 0.307 1263 V C -0.508 175.663 176.094 0.129 0.000 1.166 1263 V CA -1.046 61.260 62.300 0.009 0.000 0.974 1263 V CB 1.715 33.559 31.823 0.036 0.000 1.040 1263 V HN 0.509 nan 8.190 nan 0.000 0.428 1264 V N 4.382 124.341 119.914 0.075 0.000 2.461 1264 V HA 0.344 4.460 4.120 -0.007 0.000 0.275 1264 V C 0.250 176.419 176.094 0.125 0.000 1.047 1264 V CA -0.199 62.183 62.300 0.138 0.000 0.955 1264 V CB 1.264 33.112 31.823 0.042 0.000 0.988 1264 V HN 0.780 nan 8.190 nan 0.000 0.471 1265 L N 5.136 126.453 121.223 0.156 0.000 2.407 1265 L HA 0.347 4.683 4.340 -0.007 0.000 0.261 1265 L C 0.503 177.476 176.870 0.172 0.000 1.108 1265 L CA -0.186 54.710 54.840 0.093 0.000 0.995 1265 L CB 0.980 42.958 42.059 -0.135 0.000 1.349 1265 L HN 0.744 nan 8.230 nan 0.000 0.423 1266 Q N 1.510 121.435 119.800 0.209 0.000 2.614 1266 Q HA 0.387 4.723 4.340 -0.007 0.000 0.244 1266 Q C -0.115 176.095 176.000 0.350 0.000 1.097 1266 Q CA 0.633 56.571 55.803 0.226 0.000 0.986 1266 Q CB 1.094 29.944 28.738 0.187 0.000 1.308 1266 Q HN 0.677 nan 8.270 nan 0.000 0.546 1267 A N 0.705 123.675 122.820 0.249 0.000 2.414 1267 A HA 0.753 5.069 4.320 -0.007 0.000 0.278 1267 A C 0.257 177.824 177.584 -0.028 0.000 1.228 1267 A CA -0.070 52.069 52.037 0.170 0.000 0.857 1267 A CB 0.340 19.467 19.000 0.211 0.000 1.389 1267 A HN 0.881 nan 8.150 nan 0.000 0.452 1268 A N 0.346 123.063 122.820 -0.172 0.000 1.841 1268 A HA -0.127 4.189 4.320 -0.007 0.000 0.214 1268 A C 1.791 179.350 177.584 -0.041 0.000 1.195 1268 A CA 2.398 54.361 52.037 -0.122 0.000 0.611 1268 A CB -1.365 17.538 19.000 -0.162 0.000 0.835 1268 A HN 1.259 nan 8.150 nan 0.000 0.443 1269 N N -0.525 118.161 118.700 -0.022 0.000 2.089 1269 N HA -0.257 4.479 4.740 -0.007 0.000 0.198 1269 N C 0.257 175.776 175.510 0.015 0.000 1.017 1269 N CA 2.105 55.157 53.050 0.003 0.000 0.880 1269 N CB -0.419 38.079 38.487 0.018 0.000 1.042 1269 N HN 0.675 nan 8.380 nan 0.000 0.446 1270 E N -2.077 118.140 120.200 0.029 0.000 3.255 1270 E HA -0.072 4.274 4.350 -0.007 0.000 0.364 1270 E C -1.056 175.577 176.600 0.055 0.000 0.836 1270 E CA -0.086 56.339 56.400 0.041 0.000 1.242 1270 E CB -1.005 28.713 29.700 0.030 0.000 1.532 1270 E HN 0.515 nan 8.360 nan 0.000 0.383 1271 R N 0.560 121.101 120.500 0.069 0.000 2.725 1271 R HA 0.406 4.742 4.340 -0.007 0.000 0.277 1271 R C -0.108 176.254 176.300 0.103 0.000 0.987 1271 R CA -1.151 54.994 56.100 0.075 0.000 0.901 1271 R CB 1.043 31.380 30.300 0.061 0.000 1.207 1271 R HN -0.065 nan 8.270 nan 0.000 0.463 1272 N N 0.412 119.175 118.700 0.104 0.000 2.344 1272 N HA 0.033 4.769 4.740 -0.007 0.000 0.236 1272 N C -0.202 175.397 175.510 0.147 0.000 1.279 1272 N CA -0.032 53.099 53.050 0.134 0.000 0.882 1272 N CB 0.436 38.999 38.487 0.126 0.000 1.110 1272 N HN 0.202 nan 8.380 nan 0.000 0.436 1273 V N 0.380 120.405 119.914 0.185 0.000 2.407 1273 V HA 0.308 4.424 4.120 -0.007 0.000 0.278 1273 V C 0.476 176.753 176.094 0.305 0.000 1.037 1273 V CA -0.376 62.028 62.300 0.175 0.000 0.900 1273 V CB 1.060 32.938 31.823 0.092 0.000 0.983 1273 V HN 0.637 nan 8.190 nan 0.000 0.459 1274 S N 3.005 118.838 115.700 0.221 0.000 2.513 1274 S HA 0.699 5.165 4.470 -0.007 0.000 0.299 1274 S C 0.965 175.686 174.600 0.202 0.000 1.087 1274 S CA 0.294 58.634 58.200 0.233 0.000 1.012 1274 S CB 1.885 65.157 63.200 0.119 0.000 1.044 1274 S HN 0.982 nan 8.310 nan 0.000 0.485 1275 T N 1.879 116.572 114.554 0.230 0.000 3.009 1275 T HA 0.323 4.669 4.350 -0.007 0.000 0.258 1275 T C 1.203 175.969 174.700 0.110 0.000 1.063 1275 T CA 1.156 63.353 62.100 0.162 0.000 1.139 1275 T CB -0.664 68.318 68.868 0.189 0.000 0.890 1275 T HN 1.141 nan 8.240 nan 0.000 0.471 1276 R N 0.106 120.680 120.500 0.122 0.000 2.448 1276 R HA 0.404 4.740 4.340 -0.007 0.000 0.272 1276 R C 0.930 177.255 176.300 0.042 0.000 0.935 1276 R CA 1.809 57.951 56.100 0.069 0.000 1.084 1276 R CB -2.356 27.959 30.300 0.024 0.000 0.840 1276 R HN 2.285 nan 8.270 nan 0.000 0.432 1277 Q N -0.462 119.355 119.800 0.029 0.000 2.420 1277 Q HA 0.132 4.468 4.340 -0.007 0.000 0.359 1277 Q C 1.188 177.192 176.000 0.008 0.000 1.403 1277 Q CA 1.732 57.543 55.803 0.013 0.000 0.982 1277 Q CB -2.229 26.513 28.738 0.008 0.000 1.137 1277 Q HN 2.764 nan 8.270 nan 0.000 0.317 1278 G N -0.854 107.947 108.800 0.001 0.000 2.093 1278 G HA2 0.614 4.570 3.960 -0.007 0.000 0.257 1278 G HA3 0.614 4.570 3.960 -0.007 0.000 0.257 1278 G C 0.691 175.577 174.900 -0.024 0.000 1.004 1278 G CA 1.801 46.887 45.100 -0.022 0.000 0.949 1278 G HN 2.497 nan 8.290 nan 0.000 0.400 1279 M N 0.649 120.231 119.600 -0.030 0.000 2.139 1279 M HA 0.704 5.180 4.480 -0.007 0.000 0.553 1279 M C 0.582 176.852 176.300 -0.050 0.000 2.194 1279 M CA 0.660 55.941 55.300 -0.032 0.000 0.612 1279 M CB -0.468 32.118 32.600 -0.023 0.000 4.177 1279 M HN 1.348 nan 8.290 nan 0.000 0.471 1280 D N 0.420 120.787 120.400 -0.054 0.000 2.325 1280 D HA 0.732 5.369 4.640 -0.007 0.000 0.262 1280 D C -0.203 176.024 176.300 -0.122 0.000 1.263 1280 D CA 0.612 54.562 54.000 -0.083 0.000 1.020 1280 D CB 0.182 40.942 40.800 -0.067 0.000 1.117 1280 D HN 1.081 nan 8.370 nan 0.000 0.545 1281 L N 0.046 121.155 121.223 -0.190 0.000 2.362 1281 L HA 0.616 4.952 4.340 -0.007 0.000 0.275 1281 L C 0.027 176.779 176.870 -0.197 0.000 0.998 1281 L CA -0.385 54.294 54.840 -0.268 0.000 0.820 1281 L CB 1.796 43.488 42.059 -0.612 0.000 1.270 1281 L HN 0.585 nan 8.230 nan 0.000 0.415 1285 Q N 2.549 122.378 119.800 0.049 0.000 1.999 1285 Q HA -0.059 4.277 4.340 -0.007 0.000 0.274 1285 Q C -1.459 174.573 176.000 0.054 0.000 0.785 1285 Q CA 0.465 56.296 55.803 0.047 0.000 0.478 1285 Q CB -0.871 27.897 28.738 0.050 0.000 0.606 1285 Q HN 0.902 nan 8.270 nan 0.000 0.321 1286 D N 1.067 121.493 120.400 0.044 0.000 2.706 1286 D HA 0.097 4.733 4.640 -0.007 0.000 0.236 1286 D C 0.026 176.347 176.300 0.036 0.000 1.231 1286 D CA -0.095 53.931 54.000 0.044 0.000 0.828 1286 D CB 0.704 41.529 40.800 0.041 0.000 1.015 1286 D HN 0.255 nan 8.370 nan 0.000 0.484 1287 E N 0.874 121.094 120.200 0.033 0.000 2.214 1287 E HA 0.190 4.536 4.350 -0.007 0.000 0.274 1287 E C -0.208 176.408 176.600 0.026 0.000 0.977 1287 E CA -0.402 56.012 56.400 0.022 0.000 0.827 1287 E CB 1.968 31.675 29.700 0.012 0.000 1.130 1287 E HN 0.190 nan 8.360 nan 0.000 0.394 1288 E N 1.716 121.926 120.200 0.017 0.000 2.462 1288 E HA 0.078 4.424 4.350 -0.007 0.000 0.255 1288 E C -0.444 176.158 176.600 0.003 0.000 1.311 1288 E CA -0.156 56.253 56.400 0.016 0.000 1.629 1288 E CB 0.352 30.057 29.700 0.007 0.000 1.510 1288 E HN 0.423 nan 8.360 nan 0.000 0.438 1289 T N -2.962 111.586 114.554 -0.010 0.000 2.934 1289 T HA 0.141 4.487 4.350 -0.007 0.000 0.283 1289 T C 0.819 175.482 174.700 -0.063 0.000 1.005 1289 T CA -0.836 61.243 62.100 -0.035 0.000 1.041 1289 T CB 1.435 70.269 68.868 -0.056 0.000 1.042 1289 T HN -0.154 nan 8.240 nan 0.000 0.505 1290 D N 0.688 121.056 120.400 -0.055 0.000 2.280 1290 D HA -0.151 4.485 4.640 -0.007 0.000 0.206 1290 D C 1.972 178.091 176.300 -0.300 0.000 0.988 1290 D CA 1.440 55.450 54.000 0.017 0.000 0.886 1290 D CB -0.214 40.630 40.800 0.073 0.000 0.914 1290 D HN 0.757 nan 8.370 nan 0.000 0.473 1291 Q N -0.187 119.308 119.800 -0.508 0.000 2.369 1291 Q HA -0.029 4.307 4.340 -0.007 0.000 0.206 1291 Q C 1.150 177.027 176.000 -0.206 0.000 0.963 1291 Q CA 0.779 56.196 55.803 -0.644 0.000 0.894 1291 Q CB 0.097 28.596 28.738 -0.399 0.000 0.965 1291 Q HN 0.218 nan 8.270 nan 0.000 0.475 1292 E N -0.054 120.067 120.200 -0.131 0.000 2.481 1292 E HA 0.094 4.440 4.350 -0.007 0.000 0.198 1292 E C -0.560 175.975 176.600 -0.108 0.000 1.027 1292 E CA 0.171 56.573 56.400 0.004 0.000 0.900 1292 E CB 0.989 30.748 29.700 0.097 0.000 0.993 1292 E HN 0.028 nan 8.360 nan 0.000 0.482 1293 T N 0.473 114.880 114.554 -0.246 0.000 2.794 1293 T HA 0.520 4.866 4.350 -0.007 0.000 0.280 1293 T C -0.694 173.854 174.700 -0.253 0.000 0.987 1293 T CA -0.408 61.618 62.100 -0.123 0.000 0.993 1293 T CB 0.499 69.358 68.868 -0.016 0.000 0.939 1293 T HN -0.116 nan 8.240 nan 0.000 0.449 1294 F N 1.370 121.393 119.950 0.122 0.000 2.551 1294 F HA 0.462 4.984 4.527 -0.007 0.000 0.316 1294 F C 0.405 176.103 175.800 -0.171 0.000 1.089 1294 F CA -1.118 56.959 58.000 0.129 0.000 0.915 1294 F CB 2.032 41.124 39.000 0.153 0.000 1.186 1294 F HN 0.342 nan 8.300 nan 0.000 0.456 1295 Q N 2.803 122.585 119.800 -0.030 0.000 2.390 1295 Q HA 0.412 4.748 4.340 -0.007 0.000 0.249 1295 Q C -1.054 174.868 176.000 -0.129 0.000 0.996 1295 Q CA -0.962 54.711 55.803 -0.217 0.000 0.899 1295 Q CB 1.028 29.604 28.738 -0.270 0.000 1.216 1295 Q HN 0.689 nan 8.270 nan 0.000 0.465 1296 L N 4.420 125.510 121.223 -0.222 0.000 2.562 1296 L HA 0.064 4.400 4.340 -0.007 0.000 0.271 1296 L C -0.545 176.192 176.870 -0.222 0.000 1.167 1296 L CA 1.218 55.855 54.840 -0.339 0.000 0.917 1296 L CB 0.336 42.142 42.059 -0.422 0.000 1.187 1296 L HN 0.605 nan 8.230 nan 0.000 0.482 1297 E N 5.216 125.286 120.200 -0.217 0.000 2.199 1297 E HA 0.521 4.867 4.350 -0.007 0.000 0.269 1297 E C -1.229 175.351 176.600 -0.034 0.000 0.899 1297 E CA -0.758 55.603 56.400 -0.065 0.000 0.772 1297 E CB 2.266 31.976 29.700 0.018 0.000 1.155 1297 E HN 0.382 nan 8.360 nan 0.000 0.408 1298 I N 2.272 122.889 120.570 0.078 0.000 2.582 1298 I HA 0.101 4.267 4.170 -0.007 0.000 0.292 1298 I C -0.769 175.454 176.117 0.178 0.000 1.066 1298 I CA -0.850 60.536 61.300 0.143 0.000 1.053 1298 I CB 1.789 39.894 38.000 0.175 0.000 1.241 1298 I HN 0.324 nan 8.210 nan 0.000 0.421 1299 D N 5.913 126.407 120.400 0.158 0.000 2.316 1299 D HA 0.162 4.798 4.640 -0.007 0.000 0.245 1299 D C 0.964 177.284 176.300 0.034 0.000 1.171 1299 D CA -0.689 53.353 54.000 0.070 0.000 0.856 1299 D CB 0.865 41.667 40.800 0.003 0.000 1.090 1299 D HN 0.574 nan 8.370 nan 0.000 0.476 1300 R N 2.498 122.975 120.500 -0.038 0.000 2.174 1300 R HA -0.233 4.103 4.340 -0.007 0.000 0.253 1300 R C 0.152 176.437 176.300 -0.024 0.000 1.165 1300 R CA 1.496 57.571 56.100 -0.042 0.000 0.984 1300 R CB -0.602 29.469 30.300 -0.381 0.000 0.873 1300 R HN 0.347 nan 8.270 nan 0.000 0.456 1301 D N 0.309 120.671 120.400 -0.063 0.000 2.347 1301 D HA -0.001 4.635 4.640 -0.007 0.000 0.215 1301 D C 0.032 176.304 176.300 -0.047 0.000 0.976 1301 D CA 1.237 55.202 54.000 -0.059 0.000 0.884 1301 D CB 0.383 41.135 40.800 -0.080 0.000 0.915 1301 D HN 0.414 nan 8.370 nan 0.000 0.526 1302 T N -2.554 111.980 114.554 -0.034 0.000 2.840 1302 T HA 0.398 4.744 4.350 -0.007 0.000 0.317 1302 T C -0.108 174.614 174.700 0.037 0.000 1.401 1302 T CA -0.995 61.092 62.100 -0.021 0.000 1.028 1302 T CB 1.729 70.545 68.868 -0.087 0.000 1.317 1302 T HN -0.378 nan 8.240 nan 0.000 0.495 1303 K N 0.026 120.468 120.400 0.069 0.000 2.397 1303 K HA 0.301 4.617 4.320 -0.007 0.000 0.202 1303 K C 0.209 176.889 176.600 0.133 0.000 1.022 1303 K CA -0.304 56.065 56.287 0.137 0.000 1.141 1303 K CB 0.179 32.788 32.500 0.181 0.000 0.857 1303 K HN 0.194 nan 8.250 nan 0.000 0.514 1304 K N 0.861 121.318 120.400 0.095 0.000 2.416 1304 K HA 0.009 4.325 4.320 -0.007 0.000 0.283 1304 K C 0.384 177.110 176.600 0.210 0.000 1.037 1304 K CA -0.149 56.221 56.287 0.138 0.000 0.995 1304 K CB 0.600 33.169 32.500 0.114 0.000 0.938 1304 K HN 0.140 nan 8.250 nan 0.000 0.475 1305 C N 1.838 121.222 119.300 0.140 0.000 2.560 1305 C HA 0.721 5.177 4.460 -0.007 0.000 0.334 1305 C C -0.143 174.797 174.990 -0.084 0.000 1.404 1305 C CA -0.041 58.960 59.018 -0.028 0.000 2.410 1305 C CB 0.102 27.707 27.740 -0.225 0.000 2.268 1305 C HN 0.806 nan 8.230 nan 0.000 0.673 1306 A N 1.912 124.475 122.820 -0.430 0.000 2.534 1306 A HA 0.593 4.909 4.320 -0.007 0.000 0.300 1306 A C -1.042 176.190 177.584 -0.586 0.000 1.054 1306 A CA -0.456 51.286 52.037 -0.493 0.000 0.858 1306 A CB -0.097 18.548 19.000 -0.591 0.000 1.333 1306 A HN 0.650 nan 8.150 nan 0.000 0.391 1307 F N 0.950 120.564 119.950 -0.560 0.000 2.370 1307 F HA 0.803 5.326 4.527 -0.008 0.000 0.324 1307 F C 0.911 176.574 175.800 -0.228 0.000 1.116 1307 F CA -0.165 57.431 58.000 -0.674 0.000 1.123 1307 F CB 1.195 39.130 39.000 -1.775 0.000 1.238 1307 F HN 0.671 nan 8.300 nan 0.000 0.536 1308 R N 0.433 121.038 120.500 0.175 0.000 2.538 1308 R HA 0.428 4.764 4.340 -0.007 0.000 0.292 1308 R C -0.687 175.885 176.300 0.455 0.000 1.008 1308 R CA -0.519 55.670 56.100 0.148 0.000 0.896 1308 R CB 1.487 31.771 30.300 -0.026 0.000 1.187 1308 R HN 0.894 nan 8.270 nan 0.000 0.440 1309 T N 0.046 114.767 114.554 0.279 0.000 2.847 1309 T HA 0.127 4.473 4.350 -0.007 0.000 0.279 1309 T C 1.437 175.828 174.700 -0.515 0.000 0.984 1309 T CA 0.231 62.399 62.100 0.114 0.000 0.988 1309 T CB 0.764 69.641 68.868 0.015 0.000 1.040 1309 T HN 0.859 nan 8.240 nan 0.000 0.528 1310 H N -0.539 117.958 119.070 -0.954 0.000 2.319 1310 H HA -0.061 4.492 4.556 -0.006 0.000 0.299 1310 H C 2.083 176.852 175.328 -0.931 0.000 1.092 1310 H CA 1.825 56.840 56.048 -1.722 0.000 1.302 1310 H CB -1.109 27.877 29.762 -1.293 0.000 1.373 1310 H HN 0.711 nan 8.280 nan 0.000 0.497 1311 T N -1.717 112.165 114.554 -1.119 0.000 3.155 1311 T HA 0.103 4.449 4.350 -0.007 0.000 0.264 1311 T C 1.754 176.190 174.700 -0.440 0.000 1.160 1311 T CA 0.825 62.534 62.100 -0.651 0.000 1.075 1311 T CB -0.979 67.551 68.868 -0.562 0.000 0.921 1311 T HN 0.956 nan 8.240 nan 0.000 0.533 1312 G N 0.662 109.167 108.800 -0.491 0.000 2.159 1312 G HA2 -0.196 3.760 3.960 -0.007 0.000 0.256 1312 G HA3 -0.196 3.760 3.960 -0.007 0.000 0.256 1312 G C 0.019 174.718 174.900 -0.334 0.000 0.977 1312 G CA 0.212 45.101 45.100 -0.352 0.000 0.652 1312 G HN 0.630 nan 8.290 nan 0.000 0.531 1313 K N -0.600 119.623 120.400 -0.294 0.000 2.139 1313 K HA 0.710 5.026 4.320 -0.007 0.000 0.243 1313 K C -0.221 176.274 176.600 -0.174 0.000 0.983 1313 K CA -0.742 55.431 56.287 -0.189 0.000 0.890 1313 K CB 0.935 33.384 32.500 -0.084 0.000 1.090 1313 K HN 0.193 nan 8.250 nan 0.000 0.445 1314 Y N -0.733 119.624 120.300 0.094 0.000 2.488 1314 Y HA 0.244 4.802 4.550 0.014 0.000 0.325 1314 Y C 0.066 176.127 175.900 0.268 0.000 1.204 1314 Y CA -0.780 57.417 58.100 0.163 0.000 1.229 1314 Y CB 0.879 39.362 38.460 0.039 0.000 1.274 1314 Y HN 0.371 nan 8.280 nan 0.000 0.493 1315 W N 1.359 122.723 121.300 0.107 0.000 2.303 1315 W HA 0.343 4.996 4.660 -0.012 0.000 0.318 1315 W C 0.007 176.454 176.519 -0.121 0.000 1.362 1315 W CA -0.573 56.717 57.345 -0.091 0.000 1.234 1315 W CB 0.448 29.729 29.460 -0.299 0.000 1.248 1315 W HN 0.181 nan 8.180 nan 0.000 0.546 1316 T N 4.669 119.280 114.554 0.095 0.000 2.908 1316 T HA 0.425 4.771 4.350 -0.007 0.000 0.290 1316 T C -1.119 173.674 174.700 0.156 0.000 1.034 1316 T CA -0.786 61.382 62.100 0.112 0.000 1.010 1316 T CB 1.210 70.132 68.868 0.090 0.000 1.068 1316 T HN 0.168 nan 8.240 nan 0.000 0.481 1317 L N 4.880 126.237 121.223 0.223 0.000 2.265 1317 L HA 0.515 4.851 4.340 -0.007 0.000 0.288 1317 L C 0.651 177.595 176.870 0.124 0.000 1.058 1317 L CA -0.095 54.887 54.840 0.235 0.000 0.809 1317 L CB 0.562 42.779 42.059 0.263 0.000 1.179 1317 L HN 0.964 nan 8.230 nan 0.000 0.429 1318 T N 1.688 116.295 114.554 0.088 0.000 2.893 1318 T HA 0.597 4.943 4.350 -0.007 0.000 0.281 1318 T C 1.159 175.883 174.700 0.039 0.000 1.027 1318 T CA 0.030 62.160 62.100 0.051 0.000 0.953 1318 T CB 1.164 70.050 68.868 0.029 0.000 1.434 1318 T HN 0.559 nan 8.240 nan 0.000 0.597 1319 A N 0.587 123.422 122.820 0.025 0.000 1.840 1319 A HA 0.078 4.394 4.320 -0.007 0.000 0.214 1319 A C 2.422 180.014 177.584 0.012 0.000 1.198 1319 A CA 1.908 53.955 52.037 0.017 0.000 0.608 1319 A CB -1.877 17.130 19.000 0.012 0.000 0.839 1319 A HN 0.934 nan 8.150 nan 0.000 0.443 1320 T N -0.434 114.126 114.554 0.010 0.000 2.836 1320 T HA 0.022 4.368 4.350 -0.007 0.000 0.268 1320 T C 1.582 176.288 174.700 0.009 0.000 1.080 1320 T CA 1.884 63.988 62.100 0.007 0.000 1.128 1320 T CB -0.774 68.096 68.868 0.003 0.000 0.839 1320 T HN 1.714 nan 8.240 nan 0.000 0.507 1321 G N 1.002 109.812 108.800 0.017 0.000 2.162 1321 G HA2 -0.136 3.820 3.960 -0.007 0.000 0.260 1321 G HA3 -0.136 3.820 3.960 -0.007 0.000 0.260 1321 G C 0.344 175.264 174.900 0.032 0.000 0.976 1321 G CA -0.048 45.066 45.100 0.022 0.000 0.655 1321 G HN 0.976 nan 8.290 nan 0.000 0.533 1322 G N -1.221 107.592 108.800 0.022 0.000 2.569 1322 G HA2 0.597 4.553 3.960 -0.007 0.000 0.249 1322 G HA3 0.597 4.553 3.960 -0.007 0.000 0.249 1322 G C -0.258 174.653 174.900 0.018 0.000 1.216 1322 G CA 0.242 45.347 45.100 0.009 0.000 0.845 1322 G HN 0.997 nan 8.290 nan 0.000 0.568 1323 V N 1.287 121.185 119.914 -0.027 0.000 2.540 1323 V HA 0.485 4.601 4.120 -0.007 0.000 0.302 1323 V C -0.226 175.744 176.094 -0.206 0.000 1.035 1323 V CA -0.564 61.703 62.300 -0.055 0.000 0.873 1323 V CB 1.557 33.374 31.823 -0.009 0.000 0.992 1323 V HN 0.853 nan 8.190 nan 0.000 0.428 1324 Q N 1.631 121.329 119.800 -0.170 0.000 2.389 1324 Q HA 0.465 4.801 4.340 -0.007 0.000 0.277 1324 Q C -0.543 175.363 176.000 -0.156 0.000 1.082 1324 Q CA -0.668 55.029 55.803 -0.177 0.000 0.810 1324 Q CB 2.513 31.200 28.738 -0.086 0.000 1.374 1324 Q HN 0.818 nan 8.270 nan 0.000 0.422 1325 S N 0.366 115.974 115.700 -0.154 0.000 3.363 1325 S HA 0.229 4.695 4.470 -0.007 0.000 0.267 1325 S C 0.026 174.628 174.600 0.004 0.000 1.288 1325 S CA -0.270 57.908 58.200 -0.037 0.000 0.948 1325 S CB 0.522 63.731 63.200 0.015 0.000 1.397 1325 S HN 0.626 nan 8.310 nan 0.000 0.493 1326 T N 1.758 116.334 114.554 0.036 0.000 3.028 1326 T HA 0.422 4.768 4.350 -0.007 0.000 0.250 1326 T C 0.960 175.695 174.700 0.059 0.000 0.979 1326 T CA 0.378 62.494 62.100 0.027 0.000 1.004 1326 T CB -0.045 68.833 68.868 0.016 0.000 1.120 1326 T HN 0.841 nan 8.240 nan 0.000 0.482 1327 A N 1.452 124.335 122.820 0.105 0.000 2.584 1327 A HA 0.270 4.586 4.320 -0.007 0.000 0.239 1327 A C 1.377 179.059 177.584 0.164 0.000 1.043 1327 A CA 0.361 52.477 52.037 0.132 0.000 0.756 1327 A CB 0.070 19.164 19.000 0.157 0.000 0.963 1327 A HN 0.398 nan 8.150 nan 0.000 0.511 1328 S N 1.348 117.120 115.700 0.120 0.000 2.371 1328 S HA 0.046 4.512 4.470 -0.007 0.000 0.219 1328 S C 1.309 176.020 174.600 0.185 0.000 1.040 1328 S CA 0.940 59.208 58.200 0.115 0.000 0.958 1328 S CB -0.117 63.119 63.200 0.060 0.000 0.860 1328 S HN 0.777 nan 8.310 nan 0.000 0.487 1329 S N 0.762 116.541 115.700 0.131 0.000 2.730 1329 S HA 0.317 4.783 4.470 -0.007 0.000 0.284 1329 S C -0.644 173.952 174.600 -0.007 0.000 1.153 1329 S CA -0.754 57.507 58.200 0.100 0.000 0.995 1329 S CB 0.454 63.686 63.200 0.053 0.000 1.058 1329 S HN 0.274 nan 8.310 nan 0.000 0.552 1330 K N 2.651 122.978 120.400 -0.121 0.000 2.110 1330 K HA 0.111 4.427 4.320 -0.007 0.000 0.260 1330 K C 0.174 176.691 176.600 -0.139 0.000 1.126 1330 K CA -0.119 55.959 56.287 -0.347 0.000 1.005 1330 K CB -0.599 31.747 32.500 -0.256 0.000 1.336 1330 K HN 0.412 nan 8.250 nan 0.000 0.369 1331 N N 1.476 120.093 118.700 -0.138 0.000 2.525 1331 N HA 0.057 4.793 4.740 -0.007 0.000 0.271 1331 N C 0.547 176.132 175.510 0.125 0.000 1.194 1331 N CA -0.167 52.889 53.050 0.011 0.000 0.964 1331 N CB 1.123 39.626 38.487 0.027 0.000 1.126 1331 N HN 0.494 nan 8.380 nan 0.000 0.452 1332 A N 2.261 125.219 122.820 0.230 0.000 2.167 1332 A HA 0.001 4.317 4.320 -0.007 0.000 0.214 1332 A C 1.786 179.562 177.584 0.319 0.000 1.151 1332 A CA 0.623 52.882 52.037 0.369 0.000 0.735 1332 A CB -0.115 18.981 19.000 0.159 0.000 0.802 1332 A HN 0.668 nan 8.150 nan 0.000 0.467 1333 S N -1.373 114.456 115.700 0.214 0.000 2.593 1333 S HA -0.024 4.442 4.470 -0.007 0.000 0.217 1333 S C 1.384 176.159 174.600 0.292 0.000 0.966 1333 S CA 0.524 58.857 58.200 0.221 0.000 0.914 1333 S CB -0.442 62.851 63.200 0.155 0.000 0.776 1333 S HN 0.763 nan 8.310 nan 0.000 0.523 1334 C N 0.047 119.452 119.300 0.176 0.000 2.485 1334 C HA 0.190 4.646 4.460 -0.007 0.000 0.277 1334 C C 0.788 175.823 174.990 0.074 0.000 1.376 1334 C CA -0.740 58.295 59.018 0.029 0.000 1.759 1334 C CB -1.281 26.315 27.740 -0.239 0.000 1.970 1334 C HN 0.492 nan 8.230 nan 0.000 0.509 1335 Y N 1.024 121.463 120.300 0.230 0.000 2.697 1335 Y HA 0.210 4.759 4.550 -0.003 0.000 0.349 1335 Y C 0.322 176.523 175.900 0.503 0.000 1.120 1335 Y CA 0.201 58.443 58.100 0.237 0.000 1.468 1335 Y CB -0.606 37.917 38.460 0.105 0.000 1.182 1335 Y HN 0.258 nan 8.280 nan 0.000 0.525 1336 F N 2.734 122.788 119.950 0.173 0.000 2.371 1336 F HA 0.107 4.623 4.527 -0.018 0.000 0.363 1336 F C 0.517 176.385 175.800 0.113 0.000 1.122 1336 F CA -1.325 56.779 58.000 0.174 0.000 1.129 1336 F CB 0.613 39.776 39.000 0.272 0.000 1.173 1336 F HN 0.449 nan 8.300 nan 0.000 0.489 1337 D N 4.516 125.026 120.400 0.183 0.000 2.487 1337 D HA 0.090 4.726 4.640 -0.007 0.000 0.243 1337 D C -0.279 176.036 176.300 0.024 0.000 1.154 1337 D CA 0.538 54.585 54.000 0.078 0.000 0.876 1337 D CB 0.643 41.464 40.800 0.035 0.000 1.161 1337 D HN 0.291 nan 8.370 nan 0.000 0.478 1338 I N 3.061 123.573 120.570 -0.096 0.000 2.437 1338 I HA 0.245 4.411 4.170 -0.007 0.000 0.298 1338 I C 0.398 176.149 176.117 -0.610 0.000 0.984 1338 I CA -0.646 60.480 61.300 -0.289 0.000 1.214 1338 I CB 1.491 39.267 38.000 -0.373 0.000 1.365 1338 I HN 0.388 nan 8.210 nan 0.000 0.469 1339 E N 6.651 126.532 120.200 -0.532 0.000 2.210 1339 E HA 0.237 4.583 4.350 -0.007 0.000 0.266 1339 E C -1.955 174.319 176.600 -0.542 0.000 0.883 1339 E CA -0.791 55.193 56.400 -0.694 0.000 0.761 1339 E CB 1.352 30.873 29.700 -0.299 0.000 1.156 1339 E HN 0.473 nan 8.360 nan 0.000 0.412 1340 W N 4.843 126.225 121.300 0.136 0.000 2.292 1340 W HA 0.455 5.111 4.660 -0.007 0.000 0.352 1340 W C 0.631 177.207 176.519 0.095 0.000 0.962 1340 W CA -1.010 56.426 57.345 0.152 0.000 1.496 1340 W CB 0.292 29.862 29.460 0.184 0.000 1.381 1340 W HN 0.231 nan 8.180 nan 0.000 0.363 1341 R N 3.020 123.642 120.500 0.204 0.000 4.160 1341 R HA -0.049 4.287 4.340 -0.007 0.000 0.216 1341 R C -0.367 176.031 176.300 0.162 0.000 2.009 1341 R CA 0.278 56.453 56.100 0.125 0.000 1.664 1341 R CB -1.312 29.019 30.300 0.050 0.000 1.216 1341 R HN 0.519 nan 8.270 nan 0.000 0.648 1342 D N 1.518 122.069 120.400 0.252 0.000 4.755 1342 D HA -0.257 4.379 4.640 -0.007 0.000 0.197 1342 D C 0.738 177.227 176.300 0.316 0.000 1.031 1342 D CA 1.091 55.219 54.000 0.214 0.000 1.058 1342 D CB -0.207 40.477 40.800 -0.192 0.000 0.992 1342 D HN 0.408 nan 8.370 nan 0.000 0.549 1343 R N -0.442 120.378 120.500 0.534 0.000 3.804 1343 R HA -0.247 4.089 4.340 -0.007 0.000 0.459 1343 R C -0.574 175.872 176.300 0.243 0.000 1.009 1343 R CA 1.518 57.853 56.100 0.392 0.000 1.210 1343 R CB -0.553 30.035 30.300 0.480 0.000 1.860 1343 R HN 0.559 nan 8.270 nan 0.000 0.526 1344 R N -0.601 120.049 120.500 0.250 0.000 2.633 1344 R HA 0.464 4.800 4.340 -0.007 0.000 0.256 1344 R C -1.646 174.788 176.300 0.223 0.000 1.131 1344 R CA -0.544 55.682 56.100 0.211 0.000 0.994 1344 R CB 1.045 31.416 30.300 0.120 0.000 1.261 1344 R HN 0.055 nan 8.270 nan 0.000 0.446 1345 I N 0.458 121.193 120.570 0.274 0.000 2.846 1345 I HA 0.546 4.712 4.170 -0.007 0.000 0.307 1345 I C -0.312 175.978 176.117 0.289 0.000 1.053 1345 I CA -0.345 61.114 61.300 0.265 0.000 1.050 1345 I CB 2.640 40.834 38.000 0.323 0.000 1.239 1345 I HN 0.477 nan 8.210 nan 0.000 0.439 1346 T N 4.988 119.635 114.554 0.156 0.000 2.809 1346 T HA 0.597 4.943 4.350 -0.007 0.000 0.284 1346 T C -0.573 174.233 174.700 0.176 0.000 0.992 1346 T CA -0.438 61.752 62.100 0.149 0.000 0.957 1346 T CB 0.740 69.518 68.868 -0.150 0.000 0.942 1346 T HN 0.066 nan 8.240 nan 0.000 0.439 1347 L N 3.191 124.601 121.223 0.311 0.000 2.399 1347 L HA 0.568 4.904 4.340 -0.007 0.000 0.266 1347 L C 0.751 177.752 176.870 0.217 0.000 1.114 1347 L CA -0.038 54.952 54.840 0.251 0.000 0.804 1347 L CB 0.472 42.712 42.059 0.301 0.000 1.146 1347 L HN 0.461 nan 8.230 nan 0.000 0.451 1348 R N 1.694 122.231 120.500 0.062 0.000 2.625 1348 R HA 0.581 4.917 4.340 -0.007 0.000 0.286 1348 R C -0.450 175.678 176.300 -0.287 0.000 1.406 1348 R CA -0.515 55.577 56.100 -0.014 0.000 1.052 1348 R CB 1.542 31.908 30.300 0.109 0.000 1.203 1348 R HN 0.833 nan 8.270 nan 0.000 0.502 1349 A N 1.003 123.510 122.820 -0.523 0.000 2.245 1349 A HA 0.012 4.328 4.320 -0.007 0.000 0.279 1349 A C 1.256 178.653 177.584 -0.312 0.000 1.290 1349 A CA 0.310 51.866 52.037 -0.801 0.000 0.819 1349 A CB 0.120 18.749 19.000 -0.619 0.000 1.173 1349 A HN 0.592 nan 8.150 nan 0.000 0.508 1350 S N -0.118 115.483 115.700 -0.166 0.000 2.607 1350 S HA -0.058 4.408 4.470 -0.007 0.000 0.224 1350 S C 0.884 175.455 174.600 -0.049 0.000 0.969 1350 S CA 0.702 58.878 58.200 -0.040 0.000 0.927 1350 S CB -0.842 62.383 63.200 0.042 0.000 0.772 1350 S HN 0.779 nan 8.310 nan 0.000 0.533 1351 N N -0.152 118.496 118.700 -0.088 0.000 2.282 1351 N HA 0.236 4.972 4.740 -0.007 0.000 0.240 1351 N C 1.129 176.574 175.510 -0.108 0.000 1.182 1351 N CA 0.464 53.468 53.050 -0.075 0.000 0.874 1351 N CB 0.314 38.768 38.487 -0.054 0.000 1.126 1351 N HN 0.358 nan 8.380 nan 0.000 0.516 1352 G N 3.052 111.776 108.800 -0.126 0.000 2.675 1352 G HA2 -0.451 3.505 3.960 -0.007 0.000 0.312 1352 G HA3 -0.451 3.505 3.960 -0.007 0.000 0.312 1352 G C -0.266 174.480 174.900 -0.257 0.000 1.186 1352 G CA 0.919 45.917 45.100 -0.169 0.000 0.965 1352 G HN 0.805 nan 8.290 nan 0.000 0.548 1353 K N 0.491 120.683 120.400 -0.347 0.000 2.544 1353 K HA -0.090 4.226 4.320 -0.007 0.000 0.260 1353 K C -0.612 175.795 176.600 -0.320 0.000 1.038 1353 K CA 1.333 57.329 56.287 -0.485 0.000 1.064 1353 K CB -0.189 32.153 32.500 -0.263 0.000 0.760 1353 K HN 0.405 nan 8.250 nan 0.000 0.460 1354 F N 1.058 121.019 119.950 0.019 0.000 2.368 1354 F HA 0.155 4.677 4.527 -0.008 0.000 0.362 1354 F C 0.282 176.148 175.800 0.110 0.000 1.137 1354 F CA -1.329 56.706 58.000 0.058 0.000 1.161 1354 F CB 0.426 39.456 39.000 0.050 0.000 1.265 1354 F HN 0.193 nan 8.300 nan 0.000 0.530 1355 V N 2.930 123.041 119.914 0.328 0.000 2.890 1355 V HA -0.119 3.997 4.120 -0.007 0.000 0.294 1355 V C 0.585 176.977 176.094 0.497 0.000 1.165 1355 V CA 1.095 63.623 62.300 0.381 0.000 1.302 1355 V CB -0.589 31.478 31.823 0.408 0.000 0.820 1355 V HN 0.920 nan 8.190 nan 0.000 0.468 1356 T N 3.245 117.986 114.554 0.311 0.000 2.843 1356 T HA 0.528 4.874 4.350 -0.007 0.000 0.302 1356 T C -0.274 174.513 174.700 0.144 0.000 1.232 1356 T CA -0.055 62.136 62.100 0.152 0.000 1.009 1356 T CB 1.922 70.808 68.868 0.031 0.000 1.254 1356 T HN 0.914 nan 8.240 nan 0.000 0.504 1357 S N 2.736 118.485 115.700 0.082 0.000 2.592 1357 S HA 0.440 4.906 4.470 -0.007 0.000 0.305 1357 S C 0.084 174.707 174.600 0.037 0.000 1.118 1357 S CA -0.772 57.474 58.200 0.077 0.000 1.075 1357 S CB 0.289 63.542 63.200 0.088 0.000 1.107 1357 S HN 0.846 nan 8.310 nan 0.000 0.503 1358 K N 2.330 122.751 120.400 0.035 0.000 2.604 1358 K HA -0.090 4.226 4.320 -0.007 0.000 0.277 1358 K C 1.396 178.006 176.600 0.016 0.000 0.966 1358 K CA 0.337 56.637 56.287 0.022 0.000 0.991 1358 K CB 0.374 32.886 32.500 0.019 0.000 0.865 1358 K HN 0.449 nan 8.250 nan 0.000 0.511 1359 K N 2.109 122.516 120.400 0.011 0.000 2.071 1359 K HA -0.356 3.960 4.320 -0.007 0.000 0.217 1359 K C 1.554 178.161 176.600 0.012 0.000 1.054 1359 K CA 2.366 58.658 56.287 0.010 0.000 0.937 1359 K CB -0.569 31.935 32.500 0.007 0.000 0.719 1359 K HN 0.785 nan 8.250 nan 0.000 0.454 1360 N N -0.487 118.220 118.700 0.011 0.000 2.073 1360 N HA -0.241 4.495 4.740 -0.007 0.000 0.199 1360 N C 1.274 176.794 175.510 0.015 0.000 1.023 1360 N CA 3.397 56.454 53.050 0.011 0.000 0.880 1360 N CB -0.442 38.050 38.487 0.009 0.000 1.052 1360 N HN 0.450 nan 8.380 nan 0.000 0.449 1361 G N -1.742 107.070 108.800 0.021 0.000 2.284 1361 G HA2 -0.229 3.727 3.960 -0.007 0.000 0.201 1361 G HA3 -0.229 3.727 3.960 -0.007 0.000 0.201 1361 G C -0.292 174.626 174.900 0.030 0.000 0.998 1361 G CA 0.348 45.465 45.100 0.029 0.000 0.651 1361 G HN 0.789 nan 8.290 nan 0.000 0.489 1362 Q N 2.270 122.080 119.800 0.017 0.000 2.307 1362 Q HA 0.426 4.762 4.340 -0.007 0.000 0.261 1362 Q C 0.506 176.517 176.000 0.020 0.000 1.051 1362 Q CA -0.447 55.358 55.803 0.003 0.000 0.911 1362 Q CB 0.570 29.302 28.738 -0.010 0.000 1.227 1362 Q HN 1.062 nan 8.270 nan 0.000 0.418 1363 L N 1.686 122.925 121.223 0.027 0.000 2.433 1363 L HA 0.667 5.003 4.340 -0.007 0.000 0.275 1363 L C -0.481 176.422 176.870 0.055 0.000 1.128 1363 L CA 0.024 54.916 54.840 0.087 0.000 0.875 1363 L CB 0.516 42.675 42.059 0.166 0.000 1.171 1363 L HN 0.640 nan 8.230 nan 0.000 0.463 1364 A N 2.984 125.856 122.820 0.086 0.000 2.485 1364 A HA 0.964 5.280 4.320 -0.007 0.000 0.292 1364 A C 0.055 177.698 177.584 0.099 0.000 1.147 1364 A CA -0.420 51.660 52.037 0.072 0.000 0.750 1364 A CB 1.042 20.064 19.000 0.037 0.000 1.331 1364 A HN 1.131 nan 8.150 nan 0.000 0.419 1369 T N -2.047 112.750 114.554 0.405 0.000 3.109 1369 T HA 0.566 4.912 4.350 -0.007 0.000 0.311 1369 T C 0.100 175.048 174.700 0.413 0.000 1.011 1369 T CA -0.575 61.886 62.100 0.602 0.000 1.026 1369 T CB 1.617 70.618 68.868 0.221 0.000 1.047 1369 T HN 0.122 nan 8.240 nan 0.000 0.448 1370 A N 2.607 125.418 122.820 -0.015 0.000 2.888 1370 A HA 0.426 4.742 4.320 -0.007 0.000 0.290 1370 A C 1.652 179.199 177.584 -0.062 0.000 1.736 1370 A CA 0.377 52.272 52.037 -0.237 0.000 1.244 1370 A CB -1.137 17.678 19.000 -0.309 0.000 0.973 1370 A HN 1.265 nan 8.150 nan 0.000 0.595 1371 G N 0.765 109.558 108.800 -0.012 0.000 2.414 1371 G HA2 0.027 3.983 3.960 -0.007 0.000 0.215 1371 G HA3 0.027 3.983 3.960 -0.007 0.000 0.215 1371 G C 0.842 175.721 174.900 -0.035 0.000 1.188 1371 G CA 1.472 46.569 45.100 -0.005 0.000 0.783 1371 G HN 0.998 nan 8.290 nan 0.000 0.537 1372 D N -2.965 117.395 120.400 -0.066 0.000 1.806 1372 D HA -0.159 4.477 4.640 -0.007 0.000 0.211 1372 D C 1.718 177.963 176.300 -0.092 0.000 0.934 1372 D CA 1.443 55.403 54.000 -0.067 0.000 1.050 1372 D CB -1.368 39.408 40.800 -0.040 0.000 1.373 1372 D HN 0.232 nan 8.370 nan 0.000 0.680 1373 S N -0.388 115.262 115.700 -0.084 0.000 2.439 1373 S HA 0.066 4.532 4.470 -0.007 0.000 0.224 1373 S C 1.274 175.762 174.600 -0.187 0.000 1.029 1373 S CA 0.968 59.104 58.200 -0.106 0.000 0.946 1373 S CB 0.030 63.199 63.200 -0.051 0.000 0.797 1373 S HN 0.260 nan 8.310 nan 0.000 0.504 1374 E N 0.912 121.026 120.200 -0.143 0.000 2.511 1374 E HA 0.120 4.466 4.350 -0.007 0.000 0.196 1374 E C -0.418 175.970 176.600 -0.353 0.000 1.066 1374 E CA 0.113 56.422 56.400 -0.152 0.000 0.871 1374 E CB -0.170 29.558 29.700 0.047 0.000 0.863 1374 E HN 0.451 nan 8.360 nan 0.000 0.520 1375 L N -2.036 118.934 121.223 -0.423 0.000 2.354 1375 L HA 0.605 4.941 4.340 -0.007 0.000 0.269 1375 L C -0.456 176.159 176.870 -0.426 0.000 1.005 1375 L CA -0.995 53.639 54.840 -0.344 0.000 0.819 1375 L CB 1.041 43.039 42.059 -0.102 0.000 1.311 1375 L HN -0.305 nan 8.230 nan 0.000 0.423 1376 F N 1.718 121.717 119.950 0.082 0.000 2.508 1376 F HA 0.637 5.161 4.527 -0.005 0.000 0.325 1376 F C -0.075 175.806 175.800 0.135 0.000 1.090 1376 F CA -0.916 57.145 58.000 0.101 0.000 0.945 1376 F CB 1.793 40.854 39.000 0.101 0.000 1.156 1376 F HN 0.371 nan 8.300 nan 0.000 0.463 1377 L N 3.943 125.352 121.223 0.309 0.000 2.417 1377 L HA 0.500 4.836 4.340 -0.007 0.000 0.268 1377 L C -0.624 176.435 176.870 0.316 0.000 1.158 1377 L CA -0.210 54.813 54.840 0.306 0.000 0.819 1377 L CB 0.789 43.016 42.059 0.280 0.000 1.112 1377 L HN 0.775 nan 8.230 nan 0.000 0.458 1378 M N 4.924 124.728 119.600 0.341 0.000 2.393 1378 M HA 0.425 4.901 4.480 -0.007 0.000 0.299 1378 M C -1.430 174.965 176.300 0.159 0.000 1.103 1378 M CA -0.619 54.837 55.300 0.260 0.000 0.910 1378 M CB 1.432 34.231 32.600 0.330 0.000 1.659 1378 M HN 0.665 nan 8.290 nan 0.000 0.445 1379 K N 5.199 125.565 120.400 -0.058 0.000 2.656 1379 K HA 0.333 4.649 4.320 -0.007 0.000 0.241 1379 K C -1.435 175.091 176.600 -0.124 0.000 0.967 1379 K CA -0.515 55.518 56.287 -0.424 0.000 0.946 1379 K CB 1.372 33.377 32.500 -0.824 0.000 1.164 1379 K HN 0.828 nan 8.250 nan 0.000 0.459 1380 L N 7.766 129.049 121.223 0.101 0.000 2.617 1380 L HA 0.094 4.430 4.340 -0.007 0.000 0.282 1380 L C 0.725 177.609 176.870 0.024 0.000 1.174 1380 L CA 0.417 55.315 54.840 0.097 0.000 1.016 1380 L CB -0.091 42.095 42.059 0.212 0.000 1.337 1380 L HN 0.723 nan 8.230 nan 0.000 0.460 1381 I N 1.166 121.706 120.570 -0.049 0.000 3.806 1381 I HA 0.129 4.295 4.170 -0.007 0.000 0.321 1381 I C 0.785 176.869 176.117 -0.055 0.000 1.315 1381 I CA -0.004 61.262 61.300 -0.057 0.000 1.148 1381 I CB -0.239 37.715 38.000 -0.077 0.000 1.028 1381 I HN 0.538 nan 8.210 nan 0.000 0.415 1382 N N 1.708 120.377 118.700 -0.051 0.000 2.466 1382 N HA 0.168 4.904 4.740 -0.007 0.000 0.272 1382 N C -0.290 175.210 175.510 -0.016 0.000 1.455 1382 N CA -0.478 52.539 53.050 -0.054 0.000 0.875 1382 N CB 0.537 38.958 38.487 -0.110 0.000 1.372 1382 N HN 0.344 nan 8.380 nan 0.000 0.492 1383 R N 1.035 121.540 120.500 0.008 0.000 2.640 1383 R HA 0.233 4.569 4.340 -0.007 0.000 0.240 1383 R C -2.265 174.053 176.300 0.030 0.000 1.519 1383 R CA -0.656 55.457 56.100 0.022 0.000 1.570 1383 R CB 1.461 31.787 30.300 0.044 0.000 1.446 1383 R HN 0.101 nan 8.270 nan 0.000 0.738 1384 P HA 0.051 nan 4.420 nan 0.000 0.242 1384 P C 0.142 177.456 177.300 0.023 0.000 1.197 1384 P CA 0.648 63.771 63.100 0.038 0.000 0.765 1384 P CB 0.444 32.163 31.700 0.032 0.000 0.936 1385 I N 0.664 121.222 120.570 -0.020 0.000 2.500 1385 I HA 0.317 4.483 4.170 -0.007 0.000 0.286 1385 I C -0.234 175.861 176.117 -0.037 0.000 1.063 1385 I CA -1.580 59.688 61.300 -0.053 0.000 1.062 1385 I CB 1.607 39.479 38.000 -0.213 0.000 1.223 1385 I HN -0.282 nan 8.210 nan 0.000 0.435 1386 I N 6.432 126.995 120.570 -0.012 0.000 2.603 1386 I HA 0.703 4.869 4.170 -0.007 0.000 0.300 1386 I C 0.014 176.055 176.117 -0.125 0.000 1.017 1386 I CA -0.976 60.248 61.300 -0.126 0.000 1.098 1386 I CB 2.049 39.863 38.000 -0.309 0.000 1.279 1386 I HN 0.156 nan 8.210 nan 0.000 0.437 1387 V N 4.228 124.023 119.914 -0.199 0.000 2.709 1387 V HA 0.528 4.644 4.120 -0.007 0.000 0.308 1387 V C -1.069 174.987 176.094 -0.065 0.000 1.062 1387 V CA -0.633 61.606 62.300 -0.102 0.000 0.901 1387 V CB 1.758 33.336 31.823 -0.408 0.000 1.003 1387 V HN 0.428 nan 8.190 nan 0.000 0.425 1388 F N 3.145 123.307 119.950 0.353 0.000 2.467 1388 F HA 0.669 5.191 4.527 -0.007 0.000 0.336 1388 F C 0.254 176.256 175.800 0.335 0.000 1.123 1388 F CA -0.532 57.656 58.000 0.313 0.000 0.964 1388 F CB 1.703 40.761 39.000 0.097 0.000 1.136 1388 F HN 0.286 nan 8.300 nan 0.000 0.447 1389 R N 1.972 122.730 120.500 0.431 0.000 2.494 1389 R HA 0.738 5.074 4.340 -0.007 0.000 0.305 1389 R C -0.400 176.039 176.300 0.232 0.000 0.959 1389 R CA -0.364 55.770 56.100 0.057 0.000 0.864 1389 R CB 1.630 31.729 30.300 -0.335 0.000 1.159 1389 R HN 0.893 nan 8.270 nan 0.000 0.446 1390 G N 0.823 109.747 108.800 0.207 0.000 2.735 1390 G HA2 0.091 4.047 3.960 -0.007 0.000 0.301 1390 G HA3 0.091 4.047 3.960 -0.007 0.000 0.301 1390 G C 0.268 175.097 174.900 -0.117 0.000 1.279 1390 G CA -0.427 44.720 45.100 0.077 0.000 1.019 1390 G HN 0.759 nan 8.290 nan 0.000 0.497 1391 E N -1.248 118.810 120.200 -0.236 0.000 2.333 1391 E HA -0.204 4.142 4.350 -0.007 0.000 0.200 1391 E C 0.626 176.921 176.600 -0.508 0.000 1.010 1391 E CA 1.376 57.563 56.400 -0.356 0.000 0.841 1391 E CB -0.024 29.431 29.700 -0.408 0.000 0.757 1391 E HN 0.568 nan 8.360 nan 0.000 0.508 1392 H N -2.294 116.770 119.070 -0.010 0.000 3.680 1392 H HA 0.335 4.887 4.556 -0.006 0.000 0.260 1392 H C 0.596 175.969 175.328 0.075 0.000 1.183 1392 H CA 0.578 56.639 56.048 0.022 0.000 1.159 1392 H CB 1.652 31.427 29.762 0.022 0.000 1.567 1392 H HN 0.230 nan 8.280 nan 0.000 0.648 1393 G N 0.077 108.981 108.800 0.172 0.000 2.393 1393 G HA2 0.300 4.256 3.960 -0.007 0.000 0.264 1393 G HA3 0.300 4.256 3.960 -0.007 0.000 0.264 1393 G C -1.817 173.149 174.900 0.110 0.000 1.221 1393 G CA -0.700 44.542 45.100 0.238 0.000 0.912 1393 G HN -0.026 nan 8.290 nan 0.000 0.483 1394 F N -0.221 119.927 119.950 0.328 0.000 2.613 1394 F HA 0.765 5.288 4.527 -0.006 0.000 0.342 1394 F C 0.480 176.474 175.800 0.323 0.000 1.066 1394 F CA -1.100 57.121 58.000 0.367 0.000 1.002 1394 F CB 1.570 40.824 39.000 0.423 0.000 1.319 1394 F HN 0.199 nan 8.300 nan 0.000 0.495 1395 I N 1.152 122.045 120.570 0.537 0.000 2.312 1395 I HA 0.630 4.796 4.170 -0.007 0.000 0.290 1395 I C 0.076 176.519 176.117 0.544 0.000 1.008 1395 I CA -0.192 61.344 61.300 0.393 0.000 1.226 1395 I CB 0.813 38.949 38.000 0.226 0.000 1.371 1395 I HN 0.651 nan 8.210 nan 0.000 0.468 1396 G N 4.473 113.510 108.800 0.394 0.000 2.733 1396 G HA2 0.349 4.305 3.960 -0.007 0.000 0.297 1396 G HA3 0.349 4.305 3.960 -0.007 0.000 0.297 1396 G C -1.234 173.835 174.900 0.282 0.000 1.422 1396 G CA -0.445 44.892 45.100 0.394 0.000 0.942 1396 G HN 0.570 nan 8.290 nan 0.000 0.510 1397 C N 1.843 121.333 119.300 0.317 0.000 2.592 1397 C HA 0.248 4.704 4.460 -0.007 0.000 0.408 1397 C C 1.174 176.227 174.990 0.104 0.000 1.436 1397 C CA -0.131 58.990 59.018 0.170 0.000 1.595 1397 C CB -0.737 27.115 27.740 0.186 0.000 2.487 1397 C HN 0.597 nan 8.230 nan 0.000 0.610 1398 R N 3.142 123.682 120.500 0.066 0.000 2.254 1398 R HA 0.166 4.502 4.340 -0.007 0.000 0.318 1398 R C 0.624 176.944 176.300 0.033 0.000 1.031 1398 R CA -0.080 56.047 56.100 0.045 0.000 0.905 1398 R CB 0.235 30.556 30.300 0.034 0.000 1.050 1398 R HN 0.868 nan 8.270 nan 0.000 0.456 1399 K N 2.525 122.941 120.400 0.025 0.000 3.209 1399 K HA -0.213 4.103 4.320 -0.007 0.000 0.289 1399 K C 0.642 177.253 176.600 0.018 0.000 1.191 1399 K CA 0.964 57.261 56.287 0.016 0.000 0.851 1399 K CB -1.369 31.137 32.500 0.010 0.000 1.242 1399 K HN 0.785 nan 8.250 nan 0.000 0.480 1400 V N -3.654 116.276 119.914 0.028 0.000 1.910 1400 V HA -0.376 3.740 4.120 -0.007 0.000 0.081 1400 V C 1.011 177.118 176.094 0.021 0.000 0.454 1400 V CA 2.648 64.966 62.300 0.029 0.000 1.406 1400 V CB -2.191 29.647 31.823 0.024 0.000 1.664 1400 V HN 0.383 nan 8.190 nan 0.000 0.866 1401 T N 0.472 115.035 114.554 0.016 0.000 3.052 1401 T HA 0.219 4.566 4.350 -0.007 0.000 0.270 1401 T C 2.098 176.803 174.700 0.008 0.000 1.147 1401 T CA 1.754 63.860 62.100 0.010 0.000 1.089 1401 T CB -0.651 68.221 68.868 0.007 0.000 0.875 1401 T HN 2.386 nan 8.240 nan 0.000 0.541 1402 G N 1.696 110.504 108.800 0.013 0.000 2.179 1402 G HA2 -0.269 3.687 3.960 -0.007 0.000 0.260 1402 G HA3 -0.269 3.687 3.960 -0.007 0.000 0.260 1402 G C 0.365 175.257 174.900 -0.014 0.000 0.977 1402 G CA 0.480 45.584 45.100 0.008 0.000 0.641 1402 G HN 0.907 nan 8.290 nan 0.000 0.533 1403 T N -1.739 112.807 114.554 -0.014 0.000 2.859 1403 T HA 0.721 5.067 4.350 -0.007 0.000 0.281 1403 T C -0.497 174.177 174.700 -0.043 0.000 1.005 1403 T CA -0.924 61.155 62.100 -0.035 0.000 1.025 1403 T CB 2.424 71.279 68.868 -0.022 0.000 0.977 1403 T HN 0.804 nan 8.240 nan 0.000 0.458 1404 L N 2.754 123.918 121.223 -0.098 0.000 2.294 1404 L HA 0.595 4.931 4.340 -0.007 0.000 0.283 1404 L C -1.061 175.754 176.870 -0.093 0.000 1.015 1404 L CA -0.246 54.513 54.840 -0.136 0.000 0.831 1404 L CB 0.830 42.666 42.059 -0.372 0.000 1.217 1404 L HN 0.804 nan 8.230 nan 0.000 0.420 1405 D N 2.574 122.971 120.400 -0.004 0.000 2.228 1405 D HA 0.665 5.301 4.640 -0.007 0.000 0.247 1405 D C 0.367 176.716 176.300 0.082 0.000 0.995 1405 D CA 0.062 54.083 54.000 0.035 0.000 0.903 1405 D CB 2.095 42.930 40.800 0.058 0.000 1.205 1405 D HN 0.581 nan 8.370 nan 0.000 0.459 1406 A N 1.624 124.513 122.820 0.115 0.000 1.942 1406 A HA -0.039 4.277 4.320 -0.007 0.000 0.209 1406 A C 1.323 179.071 177.584 0.273 0.000 1.214 1406 A CA 0.300 52.462 52.037 0.207 0.000 0.686 1406 A CB -0.543 18.643 19.000 0.310 0.000 0.871 1406 A HN 0.733 nan 8.150 nan 0.000 0.460 1407 N N 0.294 119.119 118.700 0.210 0.000 2.515 1407 N HA -0.040 4.696 4.740 -0.007 0.000 0.191 1407 N C -0.231 175.408 175.510 0.214 0.000 1.182 1407 N CA -0.409 52.763 53.050 0.204 0.000 0.879 1407 N CB -0.081 38.477 38.487 0.118 0.000 0.984 1407 N HN 0.263 nan 8.380 nan 0.000 0.453 1408 R N 0.818 121.463 120.500 0.242 0.000 2.583 1408 R HA 0.012 4.348 4.340 -0.007 0.000 0.274 1408 R C 0.384 176.877 176.300 0.321 0.000 0.998 1408 R CA 0.078 56.313 56.100 0.225 0.000 1.081 1408 R CB 0.108 30.546 30.300 0.229 0.000 0.940 1408 R HN 0.126 nan 8.270 nan 0.000 0.413 1409 S N 0.553 116.366 115.700 0.187 0.000 2.607 1409 S HA 0.013 4.479 4.470 -0.007 0.000 0.224 1409 S C 0.086 174.806 174.600 0.200 0.000 0.969 1409 S CA 0.245 58.568 58.200 0.205 0.000 0.927 1409 S CB 0.212 63.382 63.200 -0.051 0.000 0.772 1409 S HN 0.576 nan 8.310 nan 0.000 0.533 1410 S N 0.183 115.970 115.700 0.144 0.000 2.588 1410 S HA 0.593 5.059 4.470 -0.007 0.000 0.275 1410 S C -1.151 173.435 174.600 -0.024 0.000 1.130 1410 S CA -0.999 57.194 58.200 -0.012 0.000 0.855 1410 S CB 1.033 64.242 63.200 0.015 0.000 1.116 1410 S HN 0.406 nan 8.310 nan 0.000 0.472 1411 Y N -0.250 120.005 120.300 -0.074 0.000 2.352 1411 Y HA 0.730 5.277 4.550 -0.006 0.000 0.326 1411 Y C -0.401 175.461 175.900 -0.063 0.000 1.166 1411 Y CA -1.083 56.989 58.100 -0.047 0.000 1.182 1411 Y CB 0.405 38.750 38.460 -0.190 0.000 1.216 1411 Y HN 0.343 nan 8.280 nan 0.000 0.474 1412 D N 1.242 121.642 120.400 -0.001 0.000 2.192 1412 D HA 0.362 4.998 4.640 -0.007 0.000 0.246 1412 D C -1.110 174.902 176.300 -0.481 0.000 1.042 1412 D CA -0.545 53.275 54.000 -0.299 0.000 0.847 1412 D CB 2.280 42.767 40.800 -0.521 0.000 1.186 1412 D HN 0.389 nan 8.370 nan 0.000 0.461 1413 V N 4.175 123.897 119.914 -0.319 0.000 2.304 1413 V HA 0.227 4.343 4.120 -0.007 0.000 0.262 1413 V C -0.310 175.695 176.094 -0.148 0.000 1.061 1413 V CA -0.296 61.894 62.300 -0.184 0.000 0.872 1413 V CB -0.925 30.884 31.823 -0.024 0.000 1.077 1413 V HN 0.356 nan 8.190 nan 0.000 0.480 1414 F N 2.949 123.002 119.950 0.172 0.000 2.291 1414 F HA 0.591 5.114 4.527 -0.007 0.000 0.305 1414 F C 0.762 176.629 175.800 0.111 0.000 1.171 1414 F CA -0.691 57.410 58.000 0.168 0.000 1.090 1414 F CB 0.589 39.713 39.000 0.206 0.000 1.436 1414 F HN 0.437 nan 8.300 nan 0.000 0.509 1415 Q N 1.104 121.088 119.800 0.306 0.000 2.340 1415 Q HA 0.693 5.029 4.340 -0.007 0.000 0.276 1415 Q C -1.969 174.095 176.000 0.106 0.000 1.048 1415 Q CA -1.207 54.706 55.803 0.184 0.000 0.832 1415 Q CB 2.530 31.393 28.738 0.210 0.000 1.373 1415 Q HN 0.531 nan 8.270 nan 0.000 0.409 1416 L N -2.012 119.264 121.223 0.088 0.000 2.415 1416 L HA 0.747 5.083 4.340 -0.007 0.000 0.256 1416 L C -1.062 175.874 176.870 0.111 0.000 1.010 1416 L CA -0.923 53.955 54.840 0.063 0.000 0.826 1416 L CB 1.760 43.839 42.059 0.033 0.000 1.405 1416 L HN 0.775 nan 8.230 nan 0.000 0.410 1417 E N 0.713 120.978 120.200 0.108 0.000 2.299 1417 E HA 0.580 4.926 4.350 -0.007 0.000 0.265 1417 E C -1.775 174.878 176.600 0.088 0.000 0.911 1417 E CA -0.541 55.925 56.400 0.111 0.000 0.789 1417 E CB 2.609 32.355 29.700 0.077 0.000 1.246 1417 E HN 0.534 nan 8.360 nan 0.000 0.427 1418 F N 1.977 121.844 119.950 -0.137 0.000 2.405 1418 F HA 0.318 4.841 4.527 -0.007 0.000 0.355 1418 F C -0.010 175.618 175.800 -0.287 0.000 1.121 1418 F CA -0.652 57.128 58.000 -0.367 0.000 1.112 1418 F CB 0.649 39.503 39.000 -0.244 0.000 1.126 1418 F HN 0.354 nan 8.300 nan 0.000 0.481 1419 N N 5.100 123.362 118.700 -0.730 0.000 3.170 1419 N HA 0.111 4.847 4.740 -0.007 0.000 0.305 1419 N C -1.005 174.053 175.510 -0.753 0.000 1.499 1419 N CA -0.021 52.690 53.050 -0.564 0.000 1.110 1419 N CB -0.171 38.067 38.487 -0.415 0.000 1.390 1419 N HN 0.654 nan 8.380 nan 0.000 0.508 1420 D N 1.939 121.712 120.400 -1.045 0.000 2.956 1420 D HA -0.183 4.453 4.640 -0.007 0.000 0.240 1420 D C 0.686 176.478 176.300 -0.847 0.000 1.141 1420 D CA 1.587 55.092 54.000 -0.824 0.000 0.820 1420 D CB -1.148 39.465 40.800 -0.312 0.000 0.988 1420 D HN 0.864 nan 8.370 nan 0.000 0.417 1421 G N -0.646 107.291 108.800 -1.438 0.000 2.194 1421 G HA2 0.085 4.041 3.960 -0.007 0.000 0.236 1421 G HA3 0.085 4.041 3.960 -0.007 0.000 0.236 1421 G C 0.301 174.832 174.900 -0.614 0.000 0.987 1421 G CA 0.879 45.675 45.100 -0.508 0.000 0.635 1421 G HN 1.508 nan 8.290 nan 0.000 0.520 1422 A N -1.165 121.025 122.820 -1.051 0.000 2.530 1422 A HA 0.917 5.233 4.320 -0.007 0.000 0.288 1422 A C -1.052 175.848 177.584 -1.140 0.000 1.172 1422 A CA -0.807 50.547 52.037 -1.138 0.000 0.733 1422 A CB 1.123 19.311 19.000 -1.353 0.000 1.320 1422 A HN 0.771 nan 8.150 nan 0.000 0.419 1423 Y N -0.400 119.509 120.300 -0.651 0.000 2.587 1423 Y HA 0.578 5.124 4.550 -0.007 0.000 0.337 1423 Y C 0.081 175.745 175.900 -0.393 0.000 1.065 1423 Y CA -0.589 57.186 58.100 -0.543 0.000 1.126 1423 Y CB 2.222 40.128 38.460 -0.923 0.000 1.279 1423 Y HN 0.733 nan 8.280 nan 0.000 0.489 1424 N N 1.140 119.735 118.700 -0.175 0.000 2.519 1424 N HA 0.461 5.197 4.740 -0.007 0.000 0.286 1424 N C -1.729 173.675 175.510 -0.176 0.000 1.079 1424 N CA -0.352 52.589 53.050 -0.180 0.000 0.878 1424 N CB 1.154 39.530 38.487 -0.184 0.000 1.375 1424 N HN 0.338 nan 8.380 nan 0.000 0.514 1425 I N 2.187 122.428 120.570 -0.547 0.000 2.612 1425 I HA 0.376 4.542 4.170 -0.007 0.000 0.295 1425 I C 0.005 175.902 176.117 -0.367 0.000 1.011 1425 I CA -0.183 60.681 61.300 -0.727 0.000 1.326 1425 I CB 0.802 37.601 38.000 -2.002 0.000 1.427 1425 I HN 0.471 nan 8.210 nan 0.000 0.537 1426 K N 1.913 122.229 120.400 -0.140 0.000 2.562 1426 K HA 0.570 4.886 4.320 -0.007 0.000 0.267 1426 K C -1.690 175.069 176.600 0.266 0.000 0.938 1426 K CA -1.064 55.248 56.287 0.042 0.000 0.840 1426 K CB 1.541 33.922 32.500 -0.198 0.000 1.390 1426 K HN 0.449 nan 8.250 nan 0.000 0.428 1427 D N 1.043 121.661 120.400 0.363 0.000 2.425 1427 D HA 0.122 4.758 4.640 -0.007 0.000 0.274 1427 D C 0.583 177.005 176.300 0.202 0.000 1.242 1427 D CA -0.456 53.825 54.000 0.468 0.000 1.060 1427 D CB 0.058 41.136 40.800 0.463 0.000 1.112 1427 D HN 0.433 nan 8.370 nan 0.000 0.561 1428 S N -1.131 114.653 115.700 0.139 0.000 2.370 1428 S HA -0.216 4.250 4.470 -0.007 0.000 0.226 1428 S C 1.978 176.587 174.600 0.016 0.000 1.033 1428 S CA 1.937 60.165 58.200 0.046 0.000 1.011 1428 S CB -1.150 62.068 63.200 0.030 0.000 0.852 1428 S HN 0.817 nan 8.310 nan 0.000 0.457 1429 T N -1.137 113.437 114.554 0.033 0.000 3.035 1429 T HA 0.284 4.630 4.350 -0.007 0.000 0.268 1429 T C 1.501 176.189 174.700 -0.021 0.000 1.109 1429 T CA 1.090 63.195 62.100 0.009 0.000 1.119 1429 T CB -0.453 68.428 68.868 0.022 0.000 0.900 1429 T HN 0.862 nan 8.240 nan 0.000 0.503 1430 G N 1.103 109.882 108.800 -0.035 0.000 2.131 1430 G HA2 -0.185 3.771 3.960 -0.007 0.000 0.201 1430 G HA3 -0.185 3.771 3.960 -0.007 0.000 0.201 1430 G C -0.276 174.507 174.900 -0.194 0.000 1.000 1430 G CA -0.223 44.799 45.100 -0.131 0.000 0.680 1430 G HN 0.699 nan 8.290 nan 0.000 0.514 1431 K N 0.295 120.648 120.400 -0.078 0.000 2.297 1431 K HA 0.507 4.823 4.320 -0.007 0.000 0.286 1431 K C 0.055 176.650 176.600 -0.007 0.000 1.053 1431 K CA -0.622 55.650 56.287 -0.024 0.000 0.940 1431 K CB 0.761 33.298 32.500 0.061 0.000 1.019 1431 K HN 0.199 nan 8.250 nan 0.000 0.475 1432 Y N 1.214 121.594 120.300 0.132 0.000 2.379 1432 Y HA 0.003 4.549 4.550 -0.007 0.000 0.337 1432 Y C 0.295 176.357 175.900 0.271 0.000 1.238 1432 Y CA -0.395 57.801 58.100 0.160 0.000 1.405 1432 Y CB 0.397 38.928 38.460 0.118 0.000 1.310 1432 Y HN 0.474 nan 8.280 nan 0.000 0.569 1433 W N 2.239 123.646 121.300 0.178 0.000 2.251 1433 W HA 0.281 4.936 4.660 -0.007 0.000 0.327 1433 W C 0.009 176.688 176.519 0.267 0.000 1.361 1433 W CA -0.692 56.710 57.345 0.095 0.000 1.234 1433 W CB 0.081 29.424 29.460 -0.194 0.000 1.212 1433 W HN 0.394 nan 8.180 nan 0.000 0.557 1434 T N 0.811 115.552 114.554 0.312 0.000 2.861 1434 T HA 0.554 4.900 4.350 -0.007 0.000 0.287 1434 T C -0.772 173.997 174.700 0.116 0.000 1.003 1434 T CA -1.013 61.215 62.100 0.214 0.000 0.977 1434 T CB 1.613 70.559 68.868 0.130 0.000 0.996 1434 T HN 0.360 nan 8.240 nan 0.000 0.448 1435 V N 2.121 122.076 119.914 0.068 0.000 2.785 1435 V HA 0.856 4.972 4.120 -0.007 0.000 0.300 1435 V C 0.504 176.598 176.094 -0.001 0.000 1.062 1435 V CA 0.420 62.723 62.300 0.006 0.000 1.029 1435 V CB 0.908 32.706 31.823 -0.041 0.000 1.024 1435 V HN 1.281 nan 8.190 nan 0.000 0.477 1436 G N 2.280 111.073 108.800 -0.011 0.000 2.990 1436 G HA2 0.337 4.293 3.960 -0.007 0.000 0.208 1436 G HA3 0.337 4.293 3.960 -0.007 0.000 0.208 1436 G C 0.695 175.588 174.900 -0.011 0.000 1.334 1436 G CA 0.312 45.407 45.100 -0.009 0.000 1.024 1436 G HN 1.064 nan 8.290 nan 0.000 0.574 1437 S N -0.369 115.325 115.700 -0.010 0.000 2.515 1437 S HA -0.051 4.415 4.470 -0.007 0.000 0.231 1437 S C 0.627 175.220 174.600 -0.012 0.000 0.987 1437 S CA 1.653 59.847 58.200 -0.010 0.000 0.936 1437 S CB -0.217 62.978 63.200 -0.009 0.000 0.766 1437 S HN 0.601 nan 8.310 nan 0.000 0.528 1438 D N -0.787 119.606 120.400 -0.012 0.000 2.992 1438 D HA 0.258 4.894 4.640 -0.007 0.000 0.372 1438 D C 0.241 176.536 176.300 -0.009 0.000 1.374 1438 D CA 0.145 54.139 54.000 -0.011 0.000 0.769 1438 D CB -0.414 40.378 40.800 -0.012 0.000 1.215 1438 D HN 0.106 nan 8.370 nan 0.000 0.473 1439 S N -1.157 114.536 115.700 -0.012 0.000 3.002 1439 S HA -0.267 4.199 4.470 -0.007 0.000 0.289 1439 S C 1.003 175.597 174.600 -0.010 0.000 1.309 1439 S CA 0.963 59.157 58.200 -0.010 0.000 1.195 1439 S CB -1.781 61.420 63.200 0.002 0.000 1.433 1439 S HN 0.976 nan 8.310 nan 0.000 0.711 1440 A N 1.371 124.182 122.820 -0.015 0.000 2.522 1440 A HA 0.468 4.784 4.320 -0.007 0.000 0.256 1440 A C 0.453 178.009 177.584 -0.046 0.000 1.086 1440 A CA 0.089 52.109 52.037 -0.028 0.000 0.763 1440 A CB 0.179 19.163 19.000 -0.028 0.000 1.024 1440 A HN 0.513 nan 8.150 nan 0.000 0.502 1441 V N 3.424 123.288 119.914 -0.083 0.000 2.509 1441 V HA 0.666 4.782 4.120 -0.007 0.000 0.284 1441 V C 0.677 176.630 176.094 -0.234 0.000 1.047 1441 V CA 0.308 62.532 62.300 -0.128 0.000 0.952 1441 V CB 1.276 33.005 31.823 -0.158 0.000 0.988 1441 V HN 1.140 nan 8.190 nan 0.000 0.469 1442 T N -0.043 114.383 114.554 -0.212 0.000 2.894 1442 T HA 0.527 4.873 4.350 -0.007 0.000 0.309 1442 T C -0.388 174.188 174.700 -0.208 0.000 1.208 1442 T CA -0.428 61.537 62.100 -0.225 0.000 1.016 1442 T CB 1.847 70.659 68.868 -0.092 0.000 1.192 1442 T HN 0.760 nan 8.240 nan 0.000 0.491 1443 S N 0.734 116.314 115.700 -0.200 0.000 2.468 1443 S HA 0.576 5.042 4.470 -0.007 0.000 0.190 1443 S C 0.156 174.799 174.600 0.071 0.000 1.445 1443 S CA -0.656 57.560 58.200 0.026 0.000 1.084 1443 S CB 0.023 63.343 63.200 0.200 0.000 1.175 1443 S HN 0.668 nan 8.310 nan 0.000 0.484 1444 S N 1.223 116.963 115.700 0.066 0.000 2.700 1444 S HA 0.322 4.788 4.470 -0.007 0.000 0.272 1444 S C 0.820 175.459 174.600 0.065 0.000 1.052 1444 S CA -0.165 58.066 58.200 0.052 0.000 1.317 1444 S CB 0.666 63.881 63.200 0.025 0.000 1.212 1444 S HN 0.796 nan 8.310 nan 0.000 0.675 1445 G N 2.167 111.025 108.800 0.097 0.000 3.161 1445 G HA2 0.404 4.360 3.960 -0.007 0.000 0.328 1445 G HA3 0.404 4.360 3.960 -0.007 0.000 0.328 1445 G C -1.126 173.869 174.900 0.159 0.000 1.037 1445 G CA -0.489 44.678 45.100 0.111 0.000 1.416 1445 G HN 0.059 nan 8.290 nan 0.000 0.486 1446 D N 1.936 122.406 120.400 0.117 0.000 2.552 1446 D HA 0.198 4.834 4.640 -0.007 0.000 0.274 1446 D C 0.229 176.659 176.300 0.216 0.000 1.406 1446 D CA 1.241 55.317 54.000 0.126 0.000 1.311 1446 D CB -0.098 40.736 40.800 0.057 0.000 1.146 1446 D HN 0.212 nan 8.370 nan 0.000 0.541 1447 T N 1.358 116.148 114.554 0.394 0.000 4.445 1447 T HA 0.157 4.503 4.350 -0.007 0.000 0.365 1447 T C -2.708 172.083 174.700 0.151 0.000 0.885 1447 T CA -1.078 61.182 62.100 0.267 0.000 0.987 1447 T CB 1.537 70.490 68.868 0.142 0.000 1.150 1447 T HN -0.080 nan 8.240 nan 0.000 0.464 1448 P HA 0.256 nan 4.420 nan 0.000 0.270 1448 P C -0.674 176.483 177.300 -0.237 0.000 1.216 1448 P CA -0.249 62.459 63.100 -0.654 0.000 0.788 1448 P CB 0.401 31.801 31.700 -0.499 0.000 0.883 1449 V N -2.328 117.470 119.914 -0.194 0.000 3.029 1449 V HA 0.132 4.248 4.120 -0.007 0.000 0.252 1449 V C -1.126 175.022 176.094 0.090 0.000 1.161 1449 V CA -0.973 61.338 62.300 0.018 0.000 0.948 1449 V CB 0.750 32.705 31.823 0.220 0.000 1.055 1449 V HN 0.282 nan 8.190 nan 0.000 0.496 1450 D N 4.788 125.161 120.400 -0.045 0.000 2.433 1450 D HA 0.272 4.908 4.640 -0.007 0.000 0.274 1450 D C -0.043 176.220 176.300 -0.062 0.000 1.344 1450 D CA 0.960 54.870 54.000 -0.149 0.000 0.989 1450 D CB 0.146 40.820 40.800 -0.210 0.000 1.116 1450 D HN 0.401 nan 8.370 nan 0.000 0.533 1451 F N 1.437 121.229 119.950 -0.264 0.000 2.370 1451 F HA 0.406 4.928 4.527 -0.007 0.000 0.319 1451 F C 0.565 176.157 175.800 -0.347 0.000 1.129 1451 F CA -0.697 57.250 58.000 -0.088 0.000 1.109 1451 F CB 0.539 39.540 39.000 0.002 0.000 1.262 1451 F HN 0.091 nan 8.300 nan 0.000 0.534 1452 F N 2.201 122.275 119.950 0.205 0.000 2.434 1452 F HA 0.373 4.895 4.527 -0.008 0.000 0.355 1452 F C -0.848 175.146 175.800 0.324 0.000 1.115 1452 F CA -0.948 57.154 58.000 0.170 0.000 1.010 1452 F CB 0.550 39.575 39.000 0.041 0.000 1.234 1452 F HN 0.041 nan 8.300 nan 0.000 0.439 1453 F N 2.408 122.427 119.950 0.115 0.000 2.420 1453 F HA 0.336 4.859 4.527 -0.007 0.000 0.352 1453 F C 0.466 176.091 175.800 -0.293 0.000 1.108 1453 F CA -1.430 56.443 58.000 -0.211 0.000 1.162 1453 F CB 0.722 39.371 39.000 -0.585 0.000 1.118 1453 F HN 0.428 nan 8.300 nan 0.000 0.510 1454 E N 4.127 124.176 120.200 -0.253 0.000 2.155 1454 E HA 0.271 4.617 4.350 -0.007 0.000 0.264 1454 E C -1.375 174.912 176.600 -0.522 0.000 0.886 1454 E CA -0.580 55.498 56.400 -0.537 0.000 0.752 1454 E CB 1.284 30.385 29.700 -0.998 0.000 1.133 1454 E HN 0.258 nan 8.360 nan 0.000 0.414 1455 F N 1.792 121.708 119.950 -0.057 0.000 2.439 1455 F HA 0.118 4.641 4.527 -0.007 0.000 0.356 1455 F C 0.826 176.696 175.800 0.116 0.000 1.161 1455 F CA -0.523 57.507 58.000 0.049 0.000 1.151 1455 F CB 0.312 39.378 39.000 0.109 0.000 1.222 1455 F HN 0.546 nan 8.300 nan 0.000 0.558 1456 C N 0.768 120.159 119.300 0.151 0.000 3.065 1456 C HA 0.253 4.709 4.460 -0.007 0.000 0.285 1456 C C 0.151 175.240 174.990 0.165 0.000 1.257 1456 C CA -0.117 58.994 59.018 0.155 0.000 1.691 1456 C CB -1.059 26.676 27.740 -0.008 0.000 2.089 1456 C HN 0.720 nan 8.230 nan 0.000 0.630 1457 D N -1.575 118.917 120.400 0.152 0.000 2.559 1457 D HA 0.280 4.916 4.640 -0.007 0.000 0.250 1457 D C 0.472 176.844 176.300 0.120 0.000 1.135 1457 D CA -0.667 53.416 54.000 0.139 0.000 0.955 1457 D CB 0.446 41.266 40.800 0.032 0.000 1.442 1457 D HN 0.274 nan 8.370 nan 0.000 0.471 1458 Y N 0.308 120.646 120.300 0.063 0.000 2.465 1458 Y HA -0.093 4.455 4.550 -0.003 0.000 0.289 1458 Y C 0.629 176.538 175.900 0.014 0.000 1.150 1458 Y CA 1.252 59.377 58.100 0.042 0.000 1.293 1458 Y CB -0.363 38.104 38.460 0.012 0.000 0.977 1458 Y HN 0.294 nan 8.280 nan 0.000 0.556 1459 N N -1.134 117.151 118.700 -0.692 0.000 2.073 1459 N HA 0.135 4.871 4.740 -0.007 0.000 0.227 1459 N C -1.148 174.088 175.510 -0.457 0.000 1.367 1459 N CA -0.477 52.199 53.050 -0.623 0.000 0.775 1459 N CB 0.064 38.077 38.487 -0.791 0.000 1.234 1459 N HN 0.290 nan 8.380 nan 0.000 0.512 1460 K N 0.268 120.585 120.400 -0.139 0.000 2.318 1460 K HA 0.657 4.973 4.320 -0.007 0.000 0.249 1460 K C -1.347 175.390 176.600 0.228 0.000 0.942 1460 K CA -0.930 55.376 56.287 0.031 0.000 0.808 1460 K CB 3.418 35.855 32.500 -0.104 0.000 1.189 1460 K HN -0.082 nan 8.250 nan 0.000 0.428 1461 V N 1.062 121.086 119.914 0.182 0.000 2.769 1461 V HA 0.775 4.891 4.120 -0.007 0.000 0.312 1461 V C -1.404 174.649 176.094 -0.069 0.000 1.061 1461 V CA -0.571 61.667 62.300 -0.104 0.000 0.931 1461 V CB 1.806 33.347 31.823 -0.470 0.000 1.010 1461 V HN 0.928 nan 8.190 nan 0.000 0.433 1462 A N 6.374 129.118 122.820 -0.128 0.000 2.318 1462 A HA 0.836 5.152 4.320 -0.007 0.000 0.324 1462 A C -0.831 176.860 177.584 0.178 0.000 1.170 1462 A CA -0.558 51.517 52.037 0.065 0.000 0.810 1462 A CB 0.850 19.840 19.000 -0.017 0.000 1.198 1462 A HN 0.771 nan 8.150 nan 0.000 0.484 1463 I N 2.944 123.713 120.570 0.332 0.000 2.306 1463 I HA 0.255 4.421 4.170 -0.007 0.000 0.288 1463 I C 0.437 176.717 176.117 0.272 0.000 1.036 1463 I CA -0.180 61.331 61.300 0.351 0.000 1.221 1463 I CB 1.019 39.209 38.000 0.316 0.000 1.385 1463 I HN 0.570 nan 8.210 nan 0.000 0.472 1464 K N 6.899 127.349 120.400 0.083 0.000 2.183 1464 K HA 0.650 4.966 4.320 -0.007 0.000 0.274 1464 K C -1.579 174.967 176.600 -0.089 0.000 1.009 1464 K CA -0.398 55.685 56.287 -0.339 0.000 0.888 1464 K CB 2.046 34.174 32.500 -0.621 0.000 1.078 1464 K HN 0.429 nan 8.250 nan 0.000 0.459 1465 V N 3.309 123.101 119.914 -0.203 0.000 2.711 1465 V HA 0.477 4.593 4.120 -0.007 0.000 0.304 1465 V C 0.121 176.083 176.094 -0.220 0.000 1.097 1465 V CA 0.667 62.820 62.300 -0.245 0.000 0.906 1465 V CB 1.299 32.778 31.823 -0.574 0.000 1.015 1465 V HN 1.053 nan 8.190 nan 0.000 0.427 1466 G N 4.326 113.009 108.800 -0.196 0.000 2.176 1466 G HA2 0.051 4.007 3.960 -0.007 0.000 0.252 1466 G HA3 0.051 4.007 3.960 -0.007 0.000 0.252 1466 G C 1.458 176.269 174.900 -0.149 0.000 1.024 1466 G CA 0.873 45.882 45.100 -0.152 0.000 0.755 1466 G HN 2.657 nan 8.290 nan 0.000 0.507 1467 G N -1.904 106.773 108.800 -0.205 0.000 2.153 1467 G HA2 -0.207 3.749 3.960 -0.007 0.000 0.252 1467 G HA3 -0.207 3.749 3.960 -0.007 0.000 0.252 1467 G C 0.311 175.117 174.900 -0.157 0.000 0.994 1467 G CA 1.429 46.416 45.100 -0.188 0.000 0.698 1467 G HN 1.131 nan 8.290 nan 0.000 0.521 1468 R N -1.631 118.758 120.500 -0.184 0.000 2.854 1468 R HA 0.692 5.028 4.340 -0.007 0.000 0.271 1468 R C -0.713 175.478 176.300 -0.182 0.000 0.994 1468 R CA -0.807 55.238 56.100 -0.092 0.000 0.945 1468 R CB 1.069 31.370 30.300 0.003 0.000 1.194 1468 R HN 0.191 nan 8.270 nan 0.000 0.476 1469 Y N 0.843 121.169 120.300 0.043 0.000 2.334 1469 Y HA 0.323 4.869 4.550 -0.006 0.000 0.328 1469 Y C 0.071 176.056 175.900 0.142 0.000 1.130 1469 Y CA -0.966 57.188 58.100 0.091 0.000 1.163 1469 Y CB 0.897 39.398 38.460 0.068 0.000 1.207 1469 Y HN 0.242 nan 8.280 nan 0.000 0.471 1470 L N 4.228 125.657 121.223 0.344 0.000 2.628 1470 L HA -0.011 4.325 4.340 -0.007 0.000 0.274 1470 L C -0.056 177.113 176.870 0.499 0.000 1.209 1470 L CA 0.903 55.948 54.840 0.342 0.000 0.930 1470 L CB -0.211 42.029 42.059 0.302 0.000 1.183 1470 L HN 0.532 nan 8.230 nan 0.000 0.492 1471 K N 3.122 123.746 120.400 0.374 0.000 2.615 1471 K HA 0.417 4.733 4.320 -0.007 0.000 0.249 1471 K C -0.185 176.593 176.600 0.296 0.000 0.977 1471 K CA -0.656 55.848 56.287 0.363 0.000 0.833 1471 K CB 1.286 33.894 32.500 0.180 0.000 1.208 1471 K HN 0.629 nan 8.250 nan 0.000 0.443 1472 G N 4.698 113.738 108.800 0.400 0.000 2.327 1472 G HA2 -0.078 3.878 3.960 -0.007 0.000 0.278 1472 G HA3 -0.078 3.878 3.960 -0.007 0.000 0.278 1472 G C 0.357 175.348 174.900 0.151 0.000 1.145 1472 G CA -0.020 45.240 45.100 0.266 0.000 1.097 1472 G HN 0.846 nan 8.290 nan 0.000 0.430 1473 D N 1.847 122.322 120.400 0.125 0.000 2.249 1473 D HA -0.030 4.606 4.640 -0.007 0.000 0.269 1473 D C -0.117 176.232 176.300 0.081 0.000 1.220 1473 D CA -0.273 53.807 54.000 0.134 0.000 1.016 1473 D CB -0.028 40.883 40.800 0.185 0.000 1.133 1473 D HN 0.422 nan 8.370 nan 0.000 0.533 1474 H N -1.352 117.716 119.070 -0.003 0.000 3.034 1474 H HA 0.376 4.928 4.556 -0.006 0.000 0.324 1474 H C 0.878 176.196 175.328 -0.018 0.000 1.015 1474 H CA 1.302 57.338 56.048 -0.020 0.000 1.429 1474 H CB 0.324 30.077 29.762 -0.015 0.000 1.429 1474 H HN 0.633 nan 8.280 nan 0.000 0.585 1475 A N 2.199 125.052 122.820 0.055 0.000 3.396 1475 A HA -0.185 4.131 4.320 -0.007 0.000 0.267 1475 A C 2.078 179.678 177.584 0.027 0.000 1.139 1475 A CA 1.692 53.748 52.037 0.032 0.000 1.115 1475 A CB -1.932 17.096 19.000 0.047 0.000 1.133 1475 A HN 1.868 nan 8.150 nan 0.000 0.920 1476 G N -3.241 105.578 108.800 0.032 0.000 2.279 1476 G HA2 -0.008 3.948 3.960 -0.007 0.000 0.223 1476 G HA3 -0.008 3.948 3.960 -0.007 0.000 0.223 1476 G C 0.696 175.638 174.900 0.069 0.000 1.015 1476 G CA 0.304 45.437 45.100 0.054 0.000 0.621 1476 G HN 1.829 nan 8.290 nan 0.000 0.506 1477 V N 2.260 122.205 119.914 0.052 0.000 2.681 1477 V HA 0.198 4.314 4.120 -0.007 0.000 0.306 1477 V C 1.073 177.190 176.094 0.038 0.000 1.077 1477 V CA 0.543 62.862 62.300 0.031 0.000 1.224 1477 V CB 1.115 32.953 31.823 0.024 0.000 0.879 1477 V HN 0.540 nan 8.190 nan 0.000 0.494 1478 L N 8.010 129.224 121.223 -0.014 0.000 2.342 1478 L HA 0.325 4.661 4.340 -0.007 0.000 0.285 1478 L C 0.303 177.154 176.870 -0.030 0.000 1.095 1478 L CA 0.479 55.299 54.840 -0.033 0.000 0.843 1478 L CB -0.257 41.694 42.059 -0.182 0.000 1.201 1478 L HN 0.632 nan 8.230 nan 0.000 0.445 1479 K N 4.013 124.436 120.400 0.039 0.000 2.221 1479 K HA 0.766 5.082 4.320 -0.007 0.000 0.243 1479 K C -0.575 176.067 176.600 0.070 0.000 0.968 1479 K CA -0.841 55.468 56.287 0.037 0.000 0.846 1479 K CB 1.565 34.093 32.500 0.047 0.000 1.141 1479 K HN 0.492 nan 8.250 nan 0.000 0.434 1480 A N 1.337 124.186 122.820 0.049 0.000 3.000 1480 A HA 0.228 4.544 4.320 -0.007 0.000 0.315 1480 A C 0.533 178.152 177.584 0.057 0.000 1.434 1480 A CA -0.418 51.655 52.037 0.061 0.000 1.108 1480 A CB -0.606 18.396 19.000 0.004 0.000 1.171 1480 A HN 0.760 nan 8.150 nan 0.000 0.524 1481 S N 0.541 116.296 115.700 0.093 0.000 2.930 1481 S HA 0.460 4.926 4.470 -0.007 0.000 0.253 1481 S C 1.120 175.783 174.600 0.105 0.000 1.083 1481 S CA 0.585 58.833 58.200 0.079 0.000 0.836 1481 S CB -0.687 62.554 63.200 0.069 0.000 0.814 1481 S HN 1.485 nan 8.310 nan 0.000 0.467 1482 A N 2.034 124.933 122.820 0.132 0.000 2.598 1482 A HA 0.163 4.479 4.320 -0.007 0.000 0.239 1482 A C 1.139 178.823 177.584 0.166 0.000 1.032 1482 A CA 0.686 52.794 52.037 0.120 0.000 0.760 1482 A CB -0.122 18.941 19.000 0.105 0.000 0.946 1482 A HN 0.519 nan 8.150 nan 0.000 0.512 1483 E N 0.789 121.048 120.200 0.099 0.000 2.190 1483 E HA 0.056 4.402 4.350 -0.007 0.000 0.191 1483 E C 0.542 177.222 176.600 0.133 0.000 0.978 1483 E CA 1.524 57.994 56.400 0.117 0.000 0.839 1483 E CB 0.268 30.006 29.700 0.063 0.000 0.787 1483 E HN 0.831 nan 8.360 nan 0.000 0.473 1484 T N -1.303 113.248 114.554 -0.005 0.000 2.933 1484 T HA 0.502 4.848 4.350 -0.007 0.000 0.305 1484 T C -0.196 174.274 174.700 -0.383 0.000 1.092 1484 T CA -0.610 61.398 62.100 -0.153 0.000 1.008 1484 T CB 1.375 70.205 68.868 -0.064 0.000 1.102 1484 T HN 0.072 nan 8.240 nan 0.000 0.469 1485 V N 1.225 120.709 119.914 -0.718 0.000 3.014 1485 V HA 0.291 4.407 4.120 -0.007 0.000 0.277 1485 V C 0.194 176.098 176.094 -0.316 0.000 1.455 1485 V CA 0.404 62.339 62.300 -0.608 0.000 1.467 1485 V CB -1.053 30.498 31.823 -0.453 0.000 0.913 1485 V HN 1.365 nan 8.190 nan 0.000 0.529 1486 D N 1.994 122.228 120.400 -0.277 0.000 2.804 1486 D HA 0.272 4.908 4.640 -0.007 0.000 0.309 1486 D C -2.618 173.547 176.300 -0.224 0.000 1.311 1486 D CA -0.701 53.181 54.000 -0.197 0.000 0.765 1486 D CB 0.725 41.436 40.800 -0.149 0.000 1.293 1486 D HN 0.284 nan 8.370 nan 0.000 0.434 1487 P HA -0.133 nan 4.420 nan 0.000 0.214 1487 P C 1.451 178.561 177.300 -0.316 0.000 1.163 1487 P CA 2.986 65.951 63.100 -0.225 0.000 0.883 1487 P CB -0.373 31.228 31.700 -0.165 0.000 0.788 1488 A N 1.167 123.839 122.820 -0.246 0.000 1.912 1488 A HA -0.258 4.058 4.320 -0.007 0.000 0.217 1488 A C 1.879 179.166 177.584 -0.495 0.000 1.309 1488 A CA 3.333 55.215 52.037 -0.259 0.000 0.726 1488 A CB -2.019 16.908 19.000 -0.122 0.000 0.840 1488 A HN 0.404 nan 8.150 nan 0.000 0.473 1489 S N -0.257 115.234 115.700 -0.348 0.000 3.612 1489 S HA 0.462 4.928 4.470 -0.007 0.000 0.214 1489 S C -0.148 174.087 174.600 -0.607 0.000 1.178 1489 S CA 0.033 58.022 58.200 -0.351 0.000 1.121 1489 S CB -1.133 62.020 63.200 -0.078 0.000 1.344 1489 S HN 0.369 nan 8.310 nan 0.000 0.447 1490 L N 0.829 121.394 121.223 -1.096 0.000 2.434 1490 L HA 0.721 5.057 4.340 -0.007 0.000 0.260 1490 L C -1.358 174.844 176.870 -1.113 0.000 0.983 1490 L CA -0.935 53.379 54.840 -0.876 0.000 0.820 1490 L CB 2.043 43.837 42.059 -0.441 0.000 1.361 1490 L HN 0.516 nan 8.230 nan 0.000 0.410 1491 W N 0.332 121.632 121.300 0.001 0.000 3.083 1491 W HA 0.501 5.158 4.660 -0.006 0.000 0.333 1491 W C -0.892 175.650 176.519 0.038 0.000 1.217 1491 W CA -0.495 56.889 57.345 0.065 0.000 1.170 1491 W CB 1.513 31.096 29.460 0.206 0.000 1.437 1491 W HN 0.222 nan 8.180 nan 0.000 0.557 1492 E N 1.961 122.304 120.200 0.238 0.000 2.092 1492 E HA 0.206 4.552 4.350 -0.007 0.000 0.271 1492 E C -0.628 175.951 176.600 -0.035 0.000 0.919 1492 E CA -0.894 55.490 56.400 -0.027 0.000 0.760 1492 E CB 0.681 30.284 29.700 -0.162 0.000 1.106 1492 E HN 0.345 nan 8.360 nan 0.000 0.408 1493 Y N 0.000 120.215 120.300 -0.142 0.000 2.660 1493 Y HA 0.000 4.545 4.550 -0.008 0.000 0.201 1493 Y CA 0.000 57.946 58.100 -0.256 0.000 1.940 1493 Y CB 0.000 38.354 38.460 -0.177 0.000 1.050 1493 Y HN 0.000 nan 8.280 nan 0.000 0.758