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 2j4u_1_U DATA FIRST_RESID 1001 DATA SEQUENCE AEVYNKDGNK LDLYGKVDGL HYFSDNKDVD GDQTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNSAENENN SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYGSDNF MQQRGNGFAT YRNTDFFGLV DGLNFAVQYQ DATA SEQUENCE GKNGNPSGEG FTSGVTNNGR DXXXXXXXXX GGSITYDYEG FGIGGAISSS DATA SEQUENCE KRTDAQNTAA YIGNGDRAET YTGGLKYDAN NIYLAAQYTQ TYNATRVGSL DATA SEQUENCE GWANKAQNFE AVAQYQFDFG LRPSLAYLQS KGKNLGRGYD DEDILKYVDV DATA SEQUENCE GATYYFNKNM STYVDYKINL LDDNQFTRDA GINTDNIVAL GLVYQF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 A HA 0.000 nan 4.320 nan 0.000 0.244 1001 A C 0.000 177.702 177.584 0.197 0.000 1.274 1001 A CA 0.000 52.182 52.037 0.241 0.000 0.836 1001 A CB 0.000 19.210 19.000 0.349 0.000 0.831 1002 E N 2.442 122.718 120.200 0.126 0.000 2.214 1002 E HA 0.259 4.609 4.350 -0.000 0.000 0.291 1002 E C 0.816 177.485 176.600 0.115 0.000 1.137 1002 E CA 0.383 56.847 56.400 0.108 0.000 1.175 1002 E CB -0.899 28.838 29.700 0.062 0.000 1.071 1002 E HN 1.185 nan 8.360 nan 0.000 0.467 1003 V N 1.709 121.714 119.914 0.152 0.000 2.747 1003 V HA -0.102 4.018 4.120 -0.000 0.000 0.147 1003 V C 1.130 177.317 176.094 0.156 0.000 0.734 1003 V CA 0.242 62.632 62.300 0.150 0.000 1.291 1003 V CB -0.897 31.027 31.823 0.168 0.000 0.874 1003 V HN 0.557 nan 8.190 nan 0.000 0.384 1004 Y N 2.856 123.177 120.300 0.036 0.000 3.142 1004 Y HA 0.027 4.576 4.550 -0.000 0.000 0.347 1004 Y C 0.628 176.545 175.900 0.028 0.000 1.269 1004 Y CA 1.876 59.990 58.100 0.023 0.000 1.560 1004 Y CB -0.125 38.339 38.460 0.007 0.000 1.220 1004 Y HN 0.915 nan 8.280 nan 0.000 0.626 1005 N N 4.665 123.194 118.700 -0.285 0.000 3.153 1005 N HA 0.134 4.874 4.740 -0.000 0.000 0.208 1005 N C -2.063 173.245 175.510 -0.338 0.000 1.462 1005 N CA -0.664 52.280 53.050 -0.178 0.000 0.754 1005 N CB 0.434 38.889 38.487 -0.053 0.000 1.558 1005 N HN 0.663 nan 8.380 nan 0.000 0.605 1006 K N 1.548 121.689 120.400 -0.432 0.000 2.468 1006 K HA 0.311 4.631 4.320 -0.000 0.000 0.252 1006 K C -1.087 175.459 176.600 -0.091 0.000 0.932 1006 K CA -0.538 55.539 56.287 -0.350 0.000 0.794 1006 K CB 1.063 33.152 32.500 -0.685 0.000 1.241 1006 K HN 0.465 nan 8.250 nan 0.000 0.428 1007 D N 3.269 123.639 120.400 -0.049 0.000 3.441 1007 D HA -0.256 4.384 4.640 -0.000 0.000 0.205 1007 D C 0.622 176.943 176.300 0.035 0.000 1.131 1007 D CA 1.579 55.582 54.000 0.005 0.000 1.030 1007 D CB -1.279 39.532 40.800 0.019 0.000 0.783 1007 D HN 0.918 nan 8.370 nan 0.000 0.389 1008 G N 3.293 112.110 108.800 0.029 0.000 5.452 1008 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.310 1008 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.310 1008 G C 0.278 175.214 174.900 0.060 0.000 1.392 1008 G CA 0.447 45.574 45.100 0.044 0.000 0.942 1008 G HN 1.012 nan 8.290 nan 0.000 0.776 1009 N N 2.102 120.855 118.700 0.087 0.000 2.301 1009 N HA 0.242 4.982 4.740 -0.000 0.000 0.267 1009 N C -0.339 175.267 175.510 0.160 0.000 1.304 1009 N CA 1.482 54.609 53.050 0.128 0.000 0.851 1009 N CB 0.079 38.661 38.487 0.158 0.000 1.070 1009 N HN 0.793 nan 8.380 nan 0.000 0.483 1010 K N 3.161 123.650 120.400 0.150 0.000 2.553 1010 K HA 0.411 4.731 4.320 -0.000 0.000 0.250 1010 K C -1.111 175.588 176.600 0.165 0.000 0.953 1010 K CA -0.660 55.720 56.287 0.156 0.000 0.800 1010 K CB 1.445 33.996 32.500 0.085 0.000 1.243 1010 K HN 0.268 nan 8.250 nan 0.000 0.435 1011 L N 1.918 123.259 121.223 0.196 0.000 2.343 1011 L HA 0.518 4.858 4.340 -0.000 0.000 0.275 1011 L C -0.928 176.057 176.870 0.190 0.000 1.056 1011 L CA -0.491 54.458 54.840 0.181 0.000 0.804 1011 L CB 1.633 43.790 42.059 0.163 0.000 1.203 1011 L HN 0.882 nan 8.230 nan 0.000 0.440 1012 D N 3.841 124.384 120.400 0.239 0.000 2.358 1012 D HA 0.174 4.814 4.640 -0.000 0.000 0.253 1012 D C -1.086 175.431 176.300 0.361 0.000 1.288 1012 D CA -0.414 53.737 54.000 0.251 0.000 0.950 1012 D CB 1.039 41.952 40.800 0.189 0.000 1.197 1012 D HN 0.159 nan 8.370 nan 0.000 0.550 1013 L N 4.817 126.232 121.223 0.319 0.000 2.380 1013 L HA 0.369 4.709 4.340 -0.000 0.000 0.273 1013 L C -0.938 176.140 176.870 0.348 0.000 1.138 1013 L CA -0.045 54.998 54.840 0.337 0.000 0.832 1013 L CB 0.168 42.413 42.059 0.310 0.000 1.124 1013 L HN 0.550 nan 8.230 nan 0.000 0.454 1014 Y N 2.751 123.061 120.300 0.017 0.000 2.638 1014 Y HA 0.816 5.366 4.550 -0.000 0.000 0.335 1014 Y C -0.477 174.887 175.900 -0.894 0.000 1.155 1014 Y CA -0.430 57.348 58.100 -0.536 0.000 1.046 1014 Y CB 1.611 39.890 38.460 -0.302 0.000 1.303 1014 Y HN 0.738 nan 8.280 nan 0.000 0.460 1015 G N 1.417 109.471 108.800 -1.244 0.000 2.342 1015 G HA2 0.563 4.523 3.960 -0.000 0.000 0.297 1015 G HA3 0.563 4.523 3.960 -0.000 0.000 0.297 1015 G C -2.235 172.462 174.900 -0.339 0.000 1.313 1015 G CA -0.807 43.864 45.100 -0.715 0.000 0.830 1015 G HN 1.161 nan 8.290 nan 0.000 0.506 1016 K N -2.035 118.380 120.400 0.025 0.000 2.639 1016 K HA 0.681 5.001 4.320 -0.000 0.000 0.279 1016 K C -1.691 174.957 176.600 0.081 0.000 0.976 1016 K CA -0.881 55.489 56.287 0.138 0.000 0.861 1016 K CB 1.500 34.005 32.500 0.009 0.000 1.436 1016 K HN 0.786 nan 8.250 nan 0.000 0.400 1017 V N 1.046 121.042 119.914 0.137 0.000 2.628 1017 V HA 0.589 4.709 4.120 -0.000 0.000 0.306 1017 V C -1.224 174.836 176.094 -0.058 0.000 1.045 1017 V CA -0.383 61.908 62.300 -0.014 0.000 0.905 1017 V CB 1.861 33.703 31.823 0.032 0.000 0.997 1017 V HN 0.899 nan 8.190 nan 0.000 0.436 1018 D N 2.711 122.979 120.400 -0.220 0.000 2.575 1018 D HA 0.415 5.055 4.640 -0.000 0.000 0.250 1018 D C -0.045 176.224 176.300 -0.052 0.000 1.279 1018 D CA -0.191 53.706 54.000 -0.171 0.000 0.925 1018 D CB 1.899 42.400 40.800 -0.499 0.000 1.261 1018 D HN 0.712 nan 8.370 nan 0.000 0.567 1019 G N 3.927 112.747 108.800 0.033 0.000 2.475 1019 G HA2 0.496 4.456 3.960 -0.000 0.000 0.322 1019 G HA3 0.496 4.456 3.960 -0.000 0.000 0.322 1019 G C -0.584 174.360 174.900 0.072 0.000 1.044 1019 G CA -0.420 44.705 45.100 0.041 0.000 1.047 1019 G HN 0.453 nan 8.290 nan 0.000 0.436 1020 L N 2.651 123.942 121.223 0.113 0.000 2.386 1020 L HA 0.682 5.022 4.340 -0.000 0.000 0.271 1020 L C -1.522 175.432 176.870 0.141 0.000 0.993 1020 L CA -0.995 53.947 54.840 0.170 0.000 0.819 1020 L CB 2.676 44.892 42.059 0.262 0.000 1.294 1020 L HN 0.654 nan 8.230 nan 0.000 0.414 1021 H N 2.714 121.826 119.070 0.070 0.000 2.894 1021 H HA 0.516 5.072 4.556 -0.000 0.000 0.367 1021 H C -1.798 173.613 175.328 0.139 0.000 1.144 1021 H CA -0.306 55.714 56.048 -0.048 0.000 1.180 1021 H CB 1.840 31.497 29.762 -0.176 0.000 1.758 1021 H HN 0.390 nan 8.280 nan 0.000 0.541 1022 Y N 3.944 123.947 120.300 -0.495 0.000 2.341 1022 Y HA 0.338 4.888 4.550 -0.000 0.000 0.338 1022 Y C -1.076 174.527 175.900 -0.495 0.000 0.965 1022 Y CA -1.214 56.731 58.100 -0.258 0.000 1.108 1022 Y CB 0.768 39.133 38.460 -0.158 0.000 1.180 1022 Y HN 0.468 nan 8.280 nan 0.000 0.458 1023 F N 1.502 121.611 119.950 0.265 0.000 2.436 1023 F HA 0.676 5.203 4.527 -0.000 0.000 0.340 1023 F C 0.352 176.216 175.800 0.106 0.000 1.113 1023 F CA -0.675 57.435 58.000 0.184 0.000 1.022 1023 F CB 2.058 41.151 39.000 0.156 0.000 1.128 1023 F HN 0.293 nan 8.300 nan 0.000 0.466 1024 S N 1.110 116.955 115.700 0.241 0.000 2.556 1024 S HA 0.165 4.635 4.470 -0.000 0.000 0.280 1024 S C -0.036 174.626 174.600 0.104 0.000 1.141 1024 S CA -0.722 57.559 58.200 0.135 0.000 0.883 1024 S CB 1.193 64.444 63.200 0.084 0.000 1.103 1024 S HN 0.662 nan 8.310 nan 0.000 0.453 1025 D N 1.744 122.189 120.400 0.076 0.000 2.228 1025 D HA -0.090 4.549 4.640 -0.000 0.000 0.203 1025 D C 0.689 177.013 176.300 0.039 0.000 0.988 1025 D CA 1.031 55.065 54.000 0.056 0.000 0.864 1025 D CB -0.090 40.735 40.800 0.042 0.000 0.928 1025 D HN 0.486 nan 8.370 nan 0.000 0.469 1026 N N 1.558 120.275 118.700 0.029 0.000 2.466 1026 N HA -0.053 4.687 4.740 -0.000 0.000 0.263 1026 N C -0.108 175.413 175.510 0.019 0.000 1.178 1026 N CA 0.076 53.134 53.050 0.014 0.000 0.983 1026 N CB 0.093 38.578 38.487 -0.004 0.000 1.331 1026 N HN -0.010 nan 8.380 nan 0.000 0.500 1027 K N 1.975 122.385 120.400 0.016 0.000 2.878 1027 K HA -0.039 4.281 4.320 -0.000 0.000 0.242 1027 K C -0.304 176.295 176.600 -0.002 0.000 0.985 1027 K CA 0.262 56.557 56.287 0.013 0.000 1.168 1027 K CB 0.312 32.823 32.500 0.018 0.000 0.993 1027 K HN 0.488 nan 8.250 nan 0.000 0.476 1028 D N -1.071 119.327 120.400 -0.004 0.000 2.449 1028 D HA -0.064 4.576 4.640 -0.000 0.000 0.255 1028 D C 1.195 177.486 176.300 -0.015 0.000 1.121 1028 D CA 0.073 54.063 54.000 -0.016 0.000 0.830 1028 D CB 0.901 41.690 40.800 -0.018 0.000 1.280 1028 D HN 0.055 nan 8.370 nan 0.000 0.522 1029 V N -1.894 118.029 119.914 0.015 0.000 3.661 1029 V HA 0.290 4.410 4.120 -0.000 0.000 0.271 1029 V C 0.508 176.640 176.094 0.065 0.000 1.315 1029 V CA -0.248 62.092 62.300 0.067 0.000 1.072 1029 V CB -0.005 31.910 31.823 0.153 0.000 0.830 1029 V HN -0.122 nan 8.190 nan 0.000 0.443 1030 D N 1.024 121.437 120.400 0.021 0.000 2.478 1030 D HA 0.426 5.066 4.640 -0.000 0.000 0.234 1030 D C 1.029 177.233 176.300 -0.160 0.000 1.154 1030 D CA 2.471 56.459 54.000 -0.020 0.000 0.874 1030 D CB 0.768 41.572 40.800 0.007 0.000 1.198 1030 D HN 0.752 nan 8.370 nan 0.000 0.455 1031 G N 3.012 111.607 108.800 -0.341 0.000 2.545 1031 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.240 1031 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.240 1031 G C -0.463 173.753 174.900 -1.140 0.000 1.172 1031 G CA 0.042 44.733 45.100 -0.682 0.000 0.949 1031 G HN 0.777 nan 8.290 nan 0.000 0.574 1032 D N 1.139 121.193 120.400 -0.578 0.000 2.325 1032 D HA 0.561 5.201 4.640 -0.000 0.000 0.251 1032 D C 1.023 177.146 176.300 -0.296 0.000 1.196 1032 D CA 0.006 53.788 54.000 -0.364 0.000 0.866 1032 D CB 0.762 41.505 40.800 -0.096 0.000 1.101 1032 D HN 0.290 nan 8.370 nan 0.000 0.476 1033 Q N 2.319 121.944 119.800 -0.293 0.000 2.172 1033 Q HA 0.116 4.456 4.340 -0.000 0.000 0.217 1033 Q C -0.117 175.863 176.000 -0.033 0.000 0.832 1033 Q CA -0.115 55.529 55.803 -0.266 0.000 1.010 1033 Q CB 0.329 28.756 28.738 -0.519 0.000 1.133 1033 Q HN 0.490 nan 8.270 nan 0.000 0.489 1034 T N 2.780 117.349 114.554 0.026 0.000 2.872 1034 T HA 0.006 4.356 4.350 -0.000 0.000 0.292 1034 T C -0.053 174.763 174.700 0.193 0.000 1.036 1034 T CA 0.930 63.087 62.100 0.095 0.000 1.136 1034 T CB -0.181 68.708 68.868 0.035 0.000 1.052 1034 T HN 0.273 nan 8.240 nan 0.000 0.512 1035 Y N 0.066 120.343 120.300 -0.037 0.000 2.744 1035 Y HA 0.801 5.351 4.550 -0.000 0.000 0.330 1035 Y C -0.978 174.888 175.900 -0.057 0.000 1.263 1035 Y CA -1.871 56.185 58.100 -0.073 0.000 1.065 1035 Y CB 1.430 39.832 38.460 -0.097 0.000 1.306 1035 Y HN 0.583 nan 8.280 nan 0.000 0.459 1036 M N 1.910 121.432 119.600 -0.129 0.000 2.618 1036 M HA 0.689 5.169 4.480 -0.000 0.000 0.281 1036 M C -2.158 174.062 176.300 -0.134 0.000 1.267 1036 M CA -0.584 54.587 55.300 -0.215 0.000 0.845 1036 M CB 3.117 35.656 32.600 -0.103 0.000 1.732 1036 M HN 1.058 nan 8.290 nan 0.000 0.461 1037 R N 2.512 122.932 120.500 -0.135 0.000 2.740 1037 R HA 0.836 5.176 4.340 -0.000 0.000 0.273 1037 R C -1.110 175.082 176.300 -0.180 0.000 0.998 1037 R CA -1.033 54.956 56.100 -0.185 0.000 0.900 1037 R CB 1.992 32.169 30.300 -0.206 0.000 1.223 1037 R HN 0.808 nan 8.270 nan 0.000 0.466 1038 L N -1.932 119.152 121.223 -0.231 0.000 2.279 1038 L HA 1.030 5.370 4.340 -0.000 0.000 0.262 1038 L C -0.352 176.120 176.870 -0.663 0.000 1.019 1038 L CA -0.752 53.887 54.840 -0.334 0.000 0.823 1038 L CB 2.513 44.565 42.059 -0.011 0.000 1.358 1038 L HN 0.820 nan 8.230 nan 0.000 0.432 1039 G N 0.180 108.434 108.800 -0.911 0.000 2.523 1039 G HA2 0.538 4.498 3.960 -0.000 0.000 0.291 1039 G HA3 0.538 4.498 3.960 -0.000 0.000 0.291 1039 G C -1.946 172.608 174.900 -0.577 0.000 1.450 1039 G CA -0.491 44.055 45.100 -0.924 0.000 0.790 1039 G HN 0.967 nan 8.290 nan 0.000 0.496 1040 F N -0.721 119.226 119.950 -0.005 0.000 2.563 1040 F HA 0.896 5.423 4.527 -0.000 0.000 0.316 1040 F C -0.407 175.572 175.800 0.298 0.000 1.076 1040 F CA -1.419 56.696 58.000 0.193 0.000 0.921 1040 F CB 1.919 41.023 39.000 0.173 0.000 1.209 1040 F HN 0.428 nan 8.300 nan 0.000 0.462 1041 K N 1.165 121.881 120.400 0.527 0.000 2.166 1041 K HA 0.845 5.164 4.320 -0.000 0.000 0.245 1041 K C -0.643 176.201 176.600 0.406 0.000 0.967 1041 K CA -1.250 55.231 56.287 0.324 0.000 0.863 1041 K CB 2.186 34.786 32.500 0.166 0.000 1.107 1041 K HN 1.070 nan 8.250 nan 0.000 0.436 1042 G N 1.023 110.022 108.800 0.332 0.000 2.746 1042 G HA2 0.431 4.391 3.960 -0.000 0.000 0.297 1042 G HA3 0.431 4.391 3.960 -0.000 0.000 0.297 1042 G C -1.594 173.438 174.900 0.220 0.000 1.426 1042 G CA -0.557 44.702 45.100 0.265 0.000 0.989 1042 G HN 0.524 nan 8.290 nan 0.000 0.520 1043 E N 0.361 120.662 120.200 0.168 0.000 2.292 1043 E HA 0.536 4.886 4.350 -0.000 0.000 0.272 1043 E C -1.273 175.402 176.600 0.125 0.000 0.881 1043 E CA -0.908 55.586 56.400 0.157 0.000 0.754 1043 E CB 2.764 32.534 29.700 0.116 0.000 1.201 1043 E HN 0.365 nan 8.360 nan 0.000 0.425 1044 T N 1.454 116.077 114.554 0.115 0.000 2.829 1044 T HA 0.308 4.658 4.350 -0.000 0.000 0.280 1044 T C -1.277 173.472 174.700 0.081 0.000 0.999 1044 T CA -0.689 61.466 62.100 0.091 0.000 0.983 1044 T CB 1.162 70.077 68.868 0.077 0.000 0.968 1044 T HN 0.528 nan 8.240 nan 0.000 0.446 1045 Q N 3.848 123.690 119.800 0.069 0.000 2.368 1045 Q HA 0.536 4.876 4.340 -0.000 0.000 0.263 1045 Q C -0.367 175.666 176.000 0.056 0.000 1.009 1045 Q CA -0.670 55.170 55.803 0.061 0.000 0.818 1045 Q CB 1.376 30.145 28.738 0.053 0.000 1.239 1045 Q HN 0.387 nan 8.270 nan 0.000 0.464 1046 V N 1.846 121.794 119.914 0.057 0.000 3.608 1046 V HA 0.210 4.330 4.120 -0.000 0.000 0.269 1046 V C 0.635 176.763 176.094 0.056 0.000 1.245 1046 V CA 0.934 63.267 62.300 0.055 0.000 1.138 1046 V CB -0.255 31.602 31.823 0.056 0.000 0.841 1046 V HN 0.974 nan 8.190 nan 0.000 0.451 1047 T N -1.692 112.896 114.554 0.057 0.000 2.686 1047 T HA 0.095 4.445 4.350 -0.000 0.000 0.262 1047 T C -0.876 173.859 174.700 0.058 0.000 2.116 1047 T CA 0.092 62.227 62.100 0.059 0.000 0.935 1047 T CB 0.806 69.717 68.868 0.072 0.000 2.261 1047 T HN 0.144 nan 8.240 nan 0.000 0.392 1048 D N -0.133 120.304 120.400 0.062 0.000 2.482 1048 D HA 0.082 4.721 4.640 -0.000 0.000 0.251 1048 D C 1.647 177.988 176.300 0.069 0.000 1.073 1048 D CA 0.366 54.400 54.000 0.057 0.000 0.892 1048 D CB 0.143 40.972 40.800 0.048 0.000 1.202 1048 D HN 0.538 nan 8.370 nan 0.000 0.496 1049 Q N 0.513 120.364 119.800 0.085 0.000 2.020 1049 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 1049 Q C 0.586 176.663 176.000 0.128 0.000 0.982 1049 Q CA 0.990 56.862 55.803 0.114 0.000 0.838 1049 Q CB 0.217 29.035 28.738 0.135 0.000 0.899 1049 Q HN 0.123 nan 8.270 nan 0.000 0.423 1050 L N 1.638 122.934 121.223 0.122 0.000 2.296 1050 L HA 0.442 4.782 4.340 -0.000 0.000 0.286 1050 L C -1.120 175.792 176.870 0.070 0.000 1.023 1050 L CA -0.200 54.707 54.840 0.111 0.000 0.812 1050 L CB 1.794 43.934 42.059 0.136 0.000 1.223 1050 L HN 0.296 nan 8.230 nan 0.000 0.421 1051 T N 2.995 117.578 114.554 0.049 0.000 2.916 1051 T HA 0.663 5.013 4.350 -0.000 0.000 0.298 1051 T C -0.190 174.559 174.700 0.081 0.000 1.031 1051 T CA -0.287 61.852 62.100 0.066 0.000 0.993 1051 T CB 1.560 70.471 68.868 0.072 0.000 1.045 1051 T HN 0.757 nan 8.240 nan 0.000 0.454 1052 G N 2.477 111.330 108.800 0.089 0.000 2.451 1052 G HA2 0.700 4.660 3.960 -0.000 0.000 0.303 1052 G HA3 0.700 4.660 3.960 -0.000 0.000 0.303 1052 G C -1.344 173.697 174.900 0.234 0.000 1.166 1052 G CA -0.708 44.443 45.100 0.084 0.000 0.884 1052 G HN 1.015 nan 8.290 nan 0.000 0.514 1053 Y N -2.151 118.181 120.300 0.052 0.000 2.713 1053 Y HA 0.737 5.287 4.550 -0.000 0.000 0.335 1053 Y C -0.236 175.736 175.900 0.121 0.000 1.222 1053 Y CA -1.227 56.925 58.100 0.087 0.000 1.061 1053 Y CB 1.155 39.666 38.460 0.084 0.000 1.314 1053 Y HN 0.985 nan 8.280 nan 0.000 0.453 1054 G N 0.969 110.000 108.800 0.385 0.000 2.746 1054 G HA2 0.528 4.488 3.960 -0.000 0.000 0.297 1054 G HA3 0.528 4.488 3.960 -0.000 0.000 0.297 1054 G C -2.511 172.438 174.900 0.082 0.000 1.426 1054 G CA -0.878 44.365 45.100 0.238 0.000 0.989 1054 G HN 0.848 nan 8.290 nan 0.000 0.520 1055 Q N 0.107 119.704 119.800 -0.338 0.000 2.379 1055 Q HA 0.646 4.986 4.340 -0.000 0.000 0.278 1055 Q C -2.260 173.341 176.000 -0.665 0.000 1.068 1055 Q CA -1.031 54.466 55.803 -0.510 0.000 0.816 1055 Q CB 2.989 31.447 28.738 -0.466 0.000 1.387 1055 Q HN 0.637 nan 8.270 nan 0.000 0.413 1056 W N 2.991 123.781 121.300 -0.849 0.000 3.615 1056 W HA 0.488 5.148 4.660 -0.000 0.000 0.319 1056 W C -2.042 174.197 176.519 -0.467 0.000 1.172 1056 W CA -0.165 56.733 57.345 -0.745 0.000 1.240 1056 W CB 1.304 30.090 29.460 -1.124 0.000 1.313 1056 W HN 0.717 nan 8.180 nan 0.000 0.487 1057 E N 4.508 124.029 120.200 -1.132 0.000 2.366 1057 E HA 0.481 4.831 4.350 -0.000 0.000 0.278 1057 E C -2.424 173.632 176.600 -0.907 0.000 0.923 1057 E CA -0.879 54.987 56.400 -0.891 0.000 0.761 1057 E CB 2.606 32.126 29.700 -0.300 0.000 1.231 1057 E HN 0.417 nan 8.360 nan 0.000 0.443 1058 Y N 2.476 122.191 120.300 -0.976 0.000 2.299 1058 Y HA 0.187 4.737 4.550 -0.000 0.000 0.318 1058 Y C -1.633 173.910 175.900 -0.595 0.000 1.205 1058 Y CA -0.436 57.167 58.100 -0.828 0.000 1.106 1058 Y CB 1.350 39.142 38.460 -1.112 0.000 1.246 1058 Y HN 0.561 nan 8.280 nan 0.000 0.415 1059 Q N 5.742 124.834 119.800 -1.181 0.000 2.215 1059 Q HA 0.784 5.124 4.340 -0.000 0.000 0.256 1059 Q C -1.408 173.840 176.000 -1.253 0.000 0.972 1059 Q CA -0.894 54.303 55.803 -1.010 0.000 0.889 1059 Q CB 1.564 29.772 28.738 -0.883 0.000 1.281 1059 Q HN 0.727 nan 8.270 nan 0.000 0.456 1060 I N 2.862 122.999 120.570 -0.721 0.000 2.586 1060 I HA 0.178 4.348 4.170 -0.000 0.000 0.288 1060 I C -0.594 175.343 176.117 -0.301 0.000 1.147 1060 I CA -0.928 60.055 61.300 -0.528 0.000 1.047 1060 I CB 1.746 39.592 38.000 -0.255 0.000 1.244 1060 I HN 0.547 nan 8.210 nan 0.000 0.429 1061 Q N 3.344 122.998 119.800 -0.243 0.000 2.421 1061 Q HA 0.253 4.593 4.340 -0.000 0.000 0.255 1061 Q C 0.926 176.907 176.000 -0.032 0.000 1.013 1061 Q CA 0.201 55.960 55.803 -0.074 0.000 0.895 1061 Q CB 1.334 30.061 28.738 -0.019 0.000 1.271 1061 Q HN 0.956 nan 8.270 nan 0.000 0.460 1062 G N 1.160 109.968 108.800 0.013 0.000 3.839 1062 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.286 1062 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.286 1062 G C 0.287 175.188 174.900 0.002 0.000 1.005 1062 G CA -0.289 44.810 45.100 -0.001 0.000 0.824 1062 G HN 0.607 nan 8.290 nan 0.000 0.489 1063 N N 0.435 119.134 118.700 -0.001 0.000 2.328 1063 N HA 0.107 4.847 4.740 -0.000 0.000 0.247 1063 N C 0.114 175.612 175.510 -0.020 0.000 1.165 1063 N CA 0.078 53.119 53.050 -0.015 0.000 0.873 1063 N CB 0.389 38.855 38.487 -0.036 0.000 1.125 1063 N HN 0.190 nan 8.380 nan 0.000 0.513 1064 S N -1.281 114.412 115.700 -0.012 0.000 2.661 1064 S HA 0.815 5.285 4.470 -0.000 0.000 0.285 1064 S C -0.455 174.142 174.600 -0.005 0.000 1.138 1064 S CA -0.786 57.408 58.200 -0.010 0.000 0.855 1064 S CB 1.496 64.691 63.200 -0.008 0.000 1.136 1064 S HN 0.335 nan 8.310 nan 0.000 0.484 1065 A N 0.664 123.482 122.820 -0.003 0.000 2.462 1065 A HA 0.333 4.653 4.320 -0.000 0.000 0.243 1065 A C 0.925 178.510 177.584 0.001 0.000 1.076 1065 A CA -0.220 51.817 52.037 -0.001 0.000 0.773 1065 A CB -0.654 18.346 19.000 -0.000 0.000 1.010 1065 A HN 0.978 nan 8.150 nan 0.000 0.493 1066 E N 1.334 121.535 120.200 0.001 0.000 2.444 1066 E HA -0.245 4.104 4.350 -0.000 0.000 0.205 1066 E C 1.056 177.659 176.600 0.005 0.000 1.054 1066 E CA 1.050 57.452 56.400 0.004 0.000 0.873 1066 E CB -0.125 29.577 29.700 0.002 0.000 0.793 1066 E HN 0.694 nan 8.360 nan 0.000 0.549 1067 N N 0.845 119.548 118.700 0.004 0.000 2.258 1067 N HA -0.205 4.535 4.740 -0.000 0.000 0.187 1067 N C 1.155 176.670 175.510 0.009 0.000 1.012 1067 N CA 1.173 54.226 53.050 0.006 0.000 0.870 1067 N CB 0.158 38.648 38.487 0.004 0.000 0.977 1067 N HN 0.350 nan 8.380 nan 0.000 0.434 1068 E N -1.320 118.885 120.200 0.010 0.000 2.801 1068 E HA 0.013 4.363 4.350 -0.000 0.000 0.212 1068 E C 0.246 176.857 176.600 0.019 0.000 0.963 1068 E CA 0.001 56.409 56.400 0.013 0.000 1.247 1068 E CB -0.070 29.635 29.700 0.008 0.000 1.076 1068 E HN 0.218 nan 8.360 nan 0.000 0.504 1069 N N 1.471 120.184 118.700 0.021 0.000 1.675 1069 N HA -0.334 4.406 4.740 -0.000 0.000 0.210 1069 N C 0.912 176.445 175.510 0.039 0.000 1.267 1069 N CA 2.262 55.332 53.050 0.033 0.000 4.051 1069 N CB -2.403 36.107 38.487 0.038 0.000 0.680 1069 N HN 0.449 nan 8.380 nan 0.000 0.289 1070 N N 1.875 120.597 118.700 0.037 0.000 1.997 1070 N HA -0.208 4.532 4.740 -0.000 0.000 0.198 1070 N C 0.464 176.021 175.510 0.079 0.000 1.070 1070 N CA 3.323 56.413 53.050 0.067 0.000 0.864 1070 N CB -0.944 37.590 38.487 0.078 0.000 1.066 1070 N HN 1.205 nan 8.380 nan 0.000 0.425 1071 S N -0.412 115.262 115.700 -0.044 0.000 4.237 1071 S HA -0.170 4.300 4.470 -0.000 0.000 0.446 1071 S C -0.228 174.259 174.600 -0.188 0.000 0.818 1071 S CA 0.630 58.605 58.200 -0.375 0.000 1.265 1071 S CB -2.188 60.800 63.200 -0.352 0.000 2.027 1071 S HN 0.636 nan 8.310 nan 0.000 0.438 1072 W N 2.035 123.160 121.300 -0.292 0.000 2.758 1072 W HA 0.829 5.489 4.660 -0.000 0.000 0.355 1072 W C -0.153 176.299 176.519 -0.111 0.000 1.223 1072 W CA -0.807 56.474 57.345 -0.108 0.000 1.182 1072 W CB 0.056 29.455 29.460 -0.101 0.000 1.464 1072 W HN 0.449 nan 8.180 nan 0.000 0.630 1073 T N 1.702 116.568 114.554 0.520 0.000 2.771 1073 T HA 0.234 4.584 4.350 -0.000 0.000 0.291 1073 T C 0.857 175.720 174.700 0.273 0.000 0.954 1073 T CA -0.427 61.967 62.100 0.491 0.000 1.045 1073 T CB 1.214 70.326 68.868 0.407 0.000 0.917 1073 T HN 0.456 nan 8.240 nan 0.000 0.484 1074 R N 1.823 122.366 120.500 0.071 0.000 2.127 1074 R HA 0.358 4.698 4.340 -0.000 0.000 0.217 1074 R C 0.166 176.471 176.300 0.008 0.000 1.074 1074 R CA 0.353 56.476 56.100 0.039 0.000 0.991 1074 R CB 0.402 30.684 30.300 -0.030 0.000 0.895 1074 R HN 0.391 nan 8.270 nan 0.000 0.450 1075 V N -1.248 118.649 119.914 -0.029 0.000 3.108 1075 V HA 0.591 4.711 4.120 -0.000 0.000 0.287 1075 V C -2.089 173.994 176.094 -0.018 0.000 1.436 1075 V CA -0.543 61.785 62.300 0.046 0.000 1.001 1075 V CB 2.176 34.063 31.823 0.106 0.000 1.141 1075 V HN 0.086 nan 8.190 nan 0.000 0.443 1076 A N 5.232 128.092 122.820 0.066 0.000 2.495 1076 A HA 0.820 5.140 4.320 -0.000 0.000 0.297 1076 A C -1.412 176.234 177.584 0.104 0.000 1.036 1076 A CA -0.202 51.845 52.037 0.017 0.000 0.982 1076 A CB 0.598 19.717 19.000 0.198 0.000 1.476 1076 A HN 1.979 nan 8.150 nan 0.000 0.393 1077 F N -0.396 119.568 119.950 0.023 0.000 2.741 1077 F HA 0.918 5.445 4.527 -0.000 0.000 0.311 1077 F C -0.375 175.413 175.800 -0.021 0.000 1.149 1077 F CA -0.782 57.199 58.000 -0.033 0.000 0.930 1077 F CB 0.991 39.960 39.000 -0.051 0.000 1.312 1077 F HN 1.145 nan 8.300 nan 0.000 0.450 1078 A N 0.641 123.576 122.820 0.192 0.000 2.386 1078 A HA 1.010 5.330 4.320 -0.000 0.000 0.311 1078 A C -0.434 177.009 177.584 -0.235 0.000 1.068 1078 A CA -0.272 51.761 52.037 -0.007 0.000 0.743 1078 A CB 1.294 20.294 19.000 0.001 0.000 1.258 1078 A HN 1.927 nan 8.150 nan 0.000 0.429 1079 G N -0.435 107.886 108.800 -0.799 0.000 2.749 1079 G HA2 0.600 4.560 3.960 -0.000 0.000 0.300 1079 G HA3 0.600 4.560 3.960 -0.000 0.000 0.300 1079 G C -2.259 172.071 174.900 -0.949 0.000 1.352 1079 G CA -0.505 43.994 45.100 -1.002 0.000 0.789 1079 G HN 0.690 nan 8.290 nan 0.000 0.509 1080 L N 0.110 121.057 121.223 -0.460 0.000 2.410 1080 L HA 0.615 4.955 4.340 -0.000 0.000 0.270 1080 L C -0.305 176.435 176.870 -0.216 0.000 0.983 1080 L CA -0.885 53.744 54.840 -0.351 0.000 0.822 1080 L CB 2.041 43.735 42.059 -0.609 0.000 1.285 1080 L HN 0.540 nan 8.230 nan 0.000 0.409 1081 K N 2.057 122.424 120.400 -0.056 0.000 2.206 1081 K HA 0.459 4.779 4.320 -0.000 0.000 0.264 1081 K C -0.065 176.511 176.600 -0.040 0.000 0.967 1081 K CA -0.164 56.138 56.287 0.025 0.000 0.844 1081 K CB 1.256 33.795 32.500 0.064 0.000 1.099 1081 K HN 0.346 nan 8.250 nan 0.000 0.441 1082 F N 1.741 121.772 119.950 0.135 0.000 2.602 1082 F HA -0.006 4.521 4.527 -0.000 0.000 0.284 1082 F C 1.357 177.217 175.800 0.101 0.000 1.111 1082 F CA 0.476 58.553 58.000 0.128 0.000 1.405 1082 F CB 0.504 39.598 39.000 0.156 0.000 1.121 1082 F HN 0.754 nan 8.300 nan 0.000 0.603 1083 Q N -1.604 118.348 119.800 0.253 0.000 7.938 1083 Q HA -0.167 4.173 4.340 -0.000 0.000 0.368 1083 Q C 0.360 176.446 176.000 0.143 0.000 0.959 1083 Q CA 1.130 57.029 55.803 0.160 0.000 0.539 1083 Q CB -1.201 27.624 28.738 0.145 0.000 0.156 1083 Q HN 0.112 nan 8.270 nan 0.000 0.898 1084 D N 0.564 121.067 120.400 0.171 0.000 2.394 1084 D HA 0.128 4.768 4.640 -0.000 0.000 0.237 1084 D C 1.918 178.386 176.300 0.281 0.000 1.028 1084 D CA 1.556 55.670 54.000 0.190 0.000 0.937 1084 D CB 0.266 41.165 40.800 0.165 0.000 1.072 1084 D HN 0.158 nan 8.370 nan 0.000 0.457 1085 V N 1.028 121.128 119.914 0.310 0.000 2.240 1085 V HA -0.164 3.956 4.120 -0.000 0.000 0.257 1085 V C 1.619 177.978 176.094 0.441 0.000 1.067 1085 V CA 2.049 64.596 62.300 0.413 0.000 1.067 1085 V CB -1.330 30.659 31.823 0.277 0.000 0.683 1085 V HN 0.566 nan 8.190 nan 0.000 0.461 1086 G N -1.255 107.734 108.800 0.315 0.000 2.320 1086 G HA2 0.379 4.339 3.960 -0.000 0.000 0.274 1086 G HA3 0.379 4.339 3.960 -0.000 0.000 0.274 1086 G C -0.614 174.353 174.900 0.111 0.000 1.324 1086 G CA 0.081 45.187 45.100 0.010 0.000 0.957 1086 G HN 1.329 nan 8.290 nan 0.000 0.481 1087 S N -1.128 114.502 115.700 -0.116 0.000 2.578 1087 S HA 0.869 5.339 4.470 -0.000 0.000 0.301 1087 S C -1.053 173.685 174.600 0.230 0.000 1.091 1087 S CA -0.493 57.754 58.200 0.078 0.000 1.032 1087 S CB 2.221 65.440 63.200 0.033 0.000 1.064 1087 S HN 1.926 nan 8.310 nan 0.000 0.508 1088 F N 1.391 121.433 119.950 0.153 0.000 2.578 1088 F HA 0.690 5.217 4.527 -0.000 0.000 0.311 1088 F C -2.111 173.735 175.800 0.076 0.000 1.094 1088 F CA -0.690 57.425 58.000 0.191 0.000 0.923 1088 F CB 1.867 41.049 39.000 0.304 0.000 1.230 1088 F HN 0.888 nan 8.300 nan 0.000 0.450 1089 D N 3.688 123.499 120.400 -0.982 0.000 2.861 1089 D HA 0.215 4.854 4.640 -0.000 0.000 0.216 1089 D C -1.900 173.896 176.300 -0.840 0.000 1.323 1089 D CA -0.477 52.966 54.000 -0.928 0.000 0.917 1089 D CB 0.768 41.303 40.800 -0.442 0.000 1.582 1089 D HN 0.439 nan 8.370 nan 0.000 0.576 1090 Y N 2.187 121.984 120.300 -0.837 0.000 2.301 1090 Y HA 0.656 5.206 4.550 -0.000 0.000 0.328 1090 Y C 0.781 176.658 175.900 -0.039 0.000 1.242 1090 Y CA 1.001 58.940 58.100 -0.268 0.000 1.323 1090 Y CB 1.129 39.561 38.460 -0.045 0.000 1.266 1090 Y HN 0.925 nan 8.280 nan 0.000 0.527 1091 G N 3.916 112.102 108.800 -1.024 0.000 2.369 1091 G HA2 0.040 4.000 3.960 -0.000 0.000 0.293 1091 G HA3 0.040 4.000 3.960 -0.000 0.000 0.293 1091 G C -1.602 173.155 174.900 -0.238 0.000 1.301 1091 G CA -1.162 43.613 45.100 -0.542 0.000 0.913 1091 G HN 0.792 nan 8.290 nan 0.000 0.540 1092 R N 0.973 121.455 120.500 -0.030 0.000 2.345 1092 R HA 0.384 4.724 4.340 -0.000 0.000 0.331 1092 R C -0.375 176.067 176.300 0.237 0.000 1.067 1092 R CA -0.051 56.069 56.100 0.033 0.000 0.962 1092 R CB -0.202 30.119 30.300 0.034 0.000 0.987 1092 R HN 0.508 nan 8.270 nan 0.000 0.451 1093 N N 2.558 121.434 118.700 0.293 0.000 3.102 1093 N HA 0.241 4.981 4.740 -0.000 0.000 0.299 1093 N C -1.574 174.153 175.510 0.362 0.000 1.482 1093 N CA -0.729 52.540 53.050 0.365 0.000 0.785 1093 N CB 0.765 39.301 38.487 0.083 0.000 1.680 1093 N HN 0.324 nan 8.380 nan 0.000 0.594 1094 Y N 0.079 120.412 120.300 0.055 0.000 2.309 1094 Y HA 0.386 4.936 4.550 -0.000 0.000 0.327 1094 Y C 1.516 177.273 175.900 -0.238 0.000 1.172 1094 Y CA -0.323 57.736 58.100 -0.069 0.000 1.280 1094 Y CB 0.760 39.108 38.460 -0.185 0.000 1.234 1094 Y HN 0.455 nan 8.280 nan 0.000 0.512 1095 G N 0.956 109.725 108.800 -0.051 0.000 2.594 1095 G HA2 0.260 4.220 3.960 -0.000 0.000 0.243 1095 G HA3 0.260 4.220 3.960 -0.000 0.000 0.243 1095 G C 0.933 175.693 174.900 -0.235 0.000 1.229 1095 G CA -0.248 44.632 45.100 -0.367 0.000 0.843 1095 G HN 0.700 nan 8.290 nan 0.000 0.578 1096 V N 0.318 120.060 119.914 -0.287 0.000 2.358 1096 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 1096 V C 2.791 178.815 176.094 -0.117 0.000 1.047 1096 V CA 1.313 63.514 62.300 -0.165 0.000 1.035 1096 V CB -1.156 30.586 31.823 -0.135 0.000 0.658 1096 V HN 0.407 nan 8.190 nan 0.000 0.452 1097 V N -0.025 119.826 119.914 -0.106 0.000 2.708 1097 V HA -0.328 3.792 4.120 -0.000 0.000 0.264 1097 V C 2.235 178.233 176.094 -0.160 0.000 1.124 1097 V CA 2.768 64.991 62.300 -0.128 0.000 1.138 1097 V CB -0.989 30.764 31.823 -0.117 0.000 0.706 1097 V HN 0.819 nan 8.190 nan 0.000 0.493 1098 Y N 0.195 120.359 120.300 -0.226 0.000 2.500 1098 Y HA -0.005 4.545 4.550 -0.000 0.000 0.270 1098 Y C 2.012 177.763 175.900 -0.248 0.000 1.134 1098 Y CA 0.665 58.635 58.100 -0.218 0.000 1.293 1098 Y CB 0.120 38.545 38.460 -0.058 0.000 1.063 1098 Y HN 0.362 nan 8.280 nan 0.000 0.534 1099 D N -0.345 119.898 120.400 -0.263 0.000 2.182 1099 D HA -0.167 4.473 4.640 -0.000 0.000 0.201 1099 D C 2.009 177.824 176.300 -0.808 0.000 0.986 1099 D CA 1.667 55.397 54.000 -0.449 0.000 0.847 1099 D CB -0.051 40.529 40.800 -0.366 0.000 0.942 1099 D HN 0.338 nan 8.370 nan 0.000 0.467 1100 V N 0.140 119.641 119.914 -0.688 0.000 3.085 1100 V HA -0.049 4.071 4.120 -0.000 0.000 0.245 1100 V C 2.399 178.133 176.094 -0.600 0.000 1.114 1100 V CA 1.413 63.192 62.300 -0.868 0.000 1.108 1100 V CB -0.165 31.320 31.823 -0.565 0.000 0.798 1100 V HN 0.274 nan 8.190 nan 0.000 0.471 1101 T N -0.846 113.408 114.554 -0.500 0.000 3.085 1101 T HA -0.091 4.259 4.350 -0.000 0.000 0.263 1101 T C 1.907 176.376 174.700 -0.384 0.000 1.127 1101 T CA 1.221 63.103 62.100 -0.363 0.000 1.103 1101 T CB -0.315 68.320 68.868 -0.389 0.000 0.921 1101 T HN 0.551 nan 8.240 nan 0.000 0.510 1102 S N 0.037 115.284 115.700 -0.755 0.000 2.423 1102 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 1102 S C 1.723 176.307 174.600 -0.026 0.000 1.014 1102 S CA 0.246 58.040 58.200 -0.676 0.000 0.965 1102 S CB -1.375 61.176 63.200 -1.080 0.000 0.785 1102 S HN 0.779 nan 8.310 nan 0.000 0.495 1103 W N 2.593 123.796 121.300 -0.162 0.000 2.279 1103 W HA -0.239 4.421 4.660 -0.000 0.000 0.298 1103 W C 2.151 178.714 176.519 0.074 0.000 1.228 1103 W CA 1.077 58.414 57.345 -0.013 0.000 1.230 1103 W CB -0.344 29.098 29.460 -0.030 0.000 1.138 1103 W HN 0.606 nan 8.180 nan 0.000 0.532 1104 T N -4.472 110.216 114.554 0.222 0.000 3.170 1104 T HA 0.034 4.384 4.350 -0.000 0.000 0.288 1104 T C -0.411 174.352 174.700 0.105 0.000 0.992 1104 T CA -0.298 61.905 62.100 0.172 0.000 0.909 1104 T CB -0.018 68.927 68.868 0.128 0.000 1.133 1104 T HN -0.166 nan 8.240 nan 0.000 0.530 1105 D N 2.428 122.890 120.400 0.104 0.000 2.468 1105 D HA 0.339 4.979 4.640 -0.000 0.000 0.218 1105 D C 0.683 177.017 176.300 0.055 0.000 1.155 1105 D CA -0.474 53.598 54.000 0.120 0.000 0.924 1105 D CB 0.510 41.463 40.800 0.255 0.000 1.029 1105 D HN 0.305 nan 8.370 nan 0.000 0.515 1106 V N 1.358 121.271 119.914 -0.002 0.000 3.823 1106 V HA 0.244 4.364 4.120 -0.000 0.000 0.511 1106 V C 0.145 176.195 176.094 -0.075 0.000 1.722 1106 V CA -0.662 61.584 62.300 -0.090 0.000 2.032 1106 V CB -1.195 30.466 31.823 -0.270 0.000 1.128 1106 V HN 0.272 nan 8.190 nan 0.000 0.581 1107 L N 0.707 121.919 121.223 -0.019 0.000 2.453 1107 L HA 0.394 4.734 4.340 -0.000 0.000 0.261 1107 L C -0.644 176.180 176.870 -0.077 0.000 1.179 1107 L CA -1.411 53.427 54.840 -0.004 0.000 0.813 1107 L CB 0.316 42.422 42.059 0.078 0.000 1.110 1107 L HN 0.034 nan 8.230 nan 0.000 0.466 1108 P HA -0.224 nan 4.420 nan 0.000 0.217 1108 P C 0.766 177.810 177.300 -0.428 0.000 1.151 1108 P CA 1.519 64.510 63.100 -0.181 0.000 0.849 1108 P CB 0.370 32.064 31.700 -0.010 0.000 0.787 1109 E N -3.657 116.315 120.200 -0.380 0.000 2.820 1109 E HA 0.088 4.438 4.350 -0.000 0.000 0.210 1109 E C 0.769 177.068 176.600 -0.502 0.000 1.005 1109 E CA -0.073 55.996 56.400 -0.551 0.000 1.678 1109 E CB -0.462 28.875 29.700 -0.605 0.000 2.013 1109 E HN -0.135 nan 8.360 nan 0.000 1.011 1110 F N 1.588 121.545 119.950 0.013 0.000 2.023 1110 F HA 0.544 5.071 4.527 -0.000 0.000 0.234 1110 F C 1.829 177.669 175.800 0.067 0.000 0.954 1110 F CA 0.738 58.747 58.000 0.016 0.000 1.180 1110 F CB -0.792 38.188 39.000 -0.032 0.000 1.932 1110 F HN 0.216 nan 8.300 nan 0.000 0.556 1111 G N -0.992 108.053 108.800 0.410 0.000 2.894 1111 G HA2 0.301 4.261 3.960 -0.000 0.000 0.247 1111 G HA3 0.301 4.261 3.960 -0.000 0.000 0.247 1111 G C 0.627 175.564 174.900 0.062 0.000 1.442 1111 G CA -0.083 45.150 45.100 0.222 0.000 0.897 1111 G HN 1.996 nan 8.290 nan 0.000 0.550 1112 G N -1.037 107.732 108.800 -0.052 0.000 2.221 1112 G HA2 0.093 4.053 3.960 -0.000 0.000 0.265 1112 G HA3 0.093 4.053 3.960 -0.000 0.000 0.265 1112 G C 0.403 174.906 174.900 -0.662 0.000 1.041 1112 G CA 1.332 46.276 45.100 -0.261 0.000 0.807 1112 G HN 2.370 nan 8.290 nan 0.000 0.502 1113 D N -1.044 119.073 120.400 -0.471 0.000 2.819 1113 D HA 0.185 4.825 4.640 -0.000 0.000 0.326 1113 D C 1.219 177.371 176.300 -0.247 0.000 1.408 1113 D CA 0.441 54.231 54.000 -0.350 0.000 0.811 1113 D CB -0.564 40.166 40.800 -0.117 0.000 1.148 1113 D HN 0.407 nan 8.370 nan 0.000 0.457 1114 T N -2.429 111.928 114.554 -0.328 0.000 3.145 1114 T HA 0.303 4.652 4.350 -0.000 0.000 0.255 1114 T C 0.193 174.963 174.700 0.116 0.000 1.039 1114 T CA -0.137 61.938 62.100 -0.041 0.000 0.928 1114 T CB -0.685 68.221 68.868 0.064 0.000 1.029 1114 T HN 0.322 nan 8.240 nan 0.000 0.554 1115 Y N -1.868 118.450 120.300 0.031 0.000 2.840 1115 Y HA 0.851 5.400 4.550 -0.000 0.000 0.324 1115 Y C 0.086 175.995 175.900 0.015 0.000 1.378 1115 Y CA -1.696 56.423 58.100 0.032 0.000 1.077 1115 Y CB 0.679 39.175 38.460 0.060 0.000 1.361 1115 Y HN 0.144 nan 8.280 nan 0.000 0.459 1116 G N -0.401 108.525 108.800 0.211 0.000 2.706 1116 G HA2 0.515 4.475 3.960 -0.000 0.000 0.307 1116 G HA3 0.515 4.475 3.960 -0.000 0.000 0.307 1116 G C -1.733 173.168 174.900 0.001 0.000 1.307 1116 G CA -1.119 43.997 45.100 0.025 0.000 0.790 1116 G HN 0.603 nan 8.290 nan 0.000 0.503 1117 S N 0.707 116.341 115.700 -0.110 0.000 2.554 1117 S HA 0.463 4.933 4.470 -0.000 0.000 0.278 1117 S C -0.603 173.879 174.600 -0.197 0.000 1.242 1117 S CA -0.171 57.928 58.200 -0.168 0.000 1.051 1117 S CB 0.927 63.986 63.200 -0.234 0.000 0.986 1117 S HN 0.577 nan 8.310 nan 0.000 0.502 1118 D N 2.045 122.318 120.400 -0.211 0.000 2.746 1118 D HA -0.155 4.485 4.640 -0.000 0.000 0.241 1118 D C -0.562 175.550 176.300 -0.314 0.000 1.140 1118 D CA 0.542 54.382 54.000 -0.266 0.000 0.707 1118 D CB -1.074 39.567 40.800 -0.264 0.000 1.034 1118 D HN 0.463 nan 8.370 nan 0.000 0.423 1119 N N 0.259 118.800 118.700 -0.266 0.000 2.723 1119 N HA 0.216 4.956 4.740 -0.000 0.000 0.290 1119 N C 0.429 175.866 175.510 -0.121 0.000 1.882 1119 N CA -0.457 52.448 53.050 -0.241 0.000 0.851 1119 N CB 0.037 38.511 38.487 -0.022 0.000 1.234 1119 N HN 0.081 nan 8.380 nan 0.000 0.491 1120 F N -0.245 119.693 119.950 -0.020 0.000 2.756 1120 F HA -0.436 4.091 4.527 -0.000 0.000 0.240 1120 F C 1.507 177.353 175.800 0.076 0.000 1.487 1120 F CA 1.630 59.633 58.000 0.005 0.000 1.859 1120 F CB -0.879 38.126 39.000 0.008 0.000 1.319 1120 F HN 0.220 nan 8.300 nan 0.000 0.230 1121 M N -0.556 119.266 119.600 0.369 0.000 2.347 1121 M HA 0.165 4.645 4.480 -0.000 0.000 0.302 1121 M C 1.348 177.749 176.300 0.168 0.000 1.051 1121 M CA 0.149 55.651 55.300 0.337 0.000 0.988 1121 M CB 0.611 33.353 32.600 0.237 0.000 1.475 1121 M HN 0.485 nan 8.290 nan 0.000 0.530 1122 Q N 1.436 121.326 119.800 0.150 0.000 2.029 1122 Q HA -0.109 4.231 4.340 -0.000 0.000 0.209 1122 Q C 1.013 177.023 176.000 0.017 0.000 0.999 1122 Q CA 1.655 57.488 55.803 0.050 0.000 0.857 1122 Q CB 0.329 29.128 28.738 0.103 0.000 0.926 1122 Q HN 0.345 nan 8.270 nan 0.000 0.415 1123 Q N -0.573 119.264 119.800 0.061 0.000 2.353 1123 Q HA 0.245 4.585 4.340 -0.000 0.000 0.275 1123 Q C -1.434 174.515 176.000 -0.086 0.000 1.029 1123 Q CA -0.535 55.247 55.803 -0.035 0.000 0.848 1123 Q CB 1.716 30.531 28.738 0.129 0.000 1.390 1123 Q HN 0.267 nan 8.270 nan 0.000 0.401 1124 R N 0.324 120.663 120.500 -0.269 0.000 3.507 1124 R HA -0.123 4.217 4.340 -0.000 0.000 0.096 1124 R C -0.310 175.893 176.300 -0.162 0.000 1.147 1124 R CA 1.855 57.776 56.100 -0.298 0.000 0.833 1124 R CB -0.461 29.516 30.300 -0.539 0.000 1.956 1124 R HN 0.964 nan 8.270 nan 0.000 0.161 1125 G N 2.136 110.826 108.800 -0.183 0.000 2.320 1125 G HA2 0.186 4.146 3.960 -0.000 0.000 0.296 1125 G HA3 0.186 4.146 3.960 -0.000 0.000 0.296 1125 G C -1.639 172.995 174.900 -0.442 0.000 1.306 1125 G CA -0.800 44.109 45.100 -0.318 0.000 0.836 1125 G HN 0.630 nan 8.290 nan 0.000 0.517 1126 N N -0.394 118.042 118.700 -0.440 0.000 2.473 1126 N HA 0.514 5.254 4.740 -0.000 0.000 0.291 1126 N C 0.579 175.823 175.510 -0.443 0.000 1.083 1126 N CA 0.557 53.401 53.050 -0.343 0.000 0.951 1126 N CB 1.605 39.976 38.487 -0.192 0.000 1.164 1126 N HN 1.776 nan 8.380 nan 0.000 0.480 1127 G N 1.185 109.801 108.800 -0.307 0.000 2.288 1127 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.205 1127 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.205 1127 G C -0.715 174.260 174.900 0.125 0.000 1.071 1127 G CA -0.647 44.418 45.100 -0.058 0.000 0.788 1127 G HN 0.484 nan 8.290 nan 0.000 0.491 1128 F N 0.759 120.702 119.950 -0.012 0.000 2.426 1128 F HA 0.626 5.153 4.527 -0.000 0.000 0.348 1128 F C 0.619 176.532 175.800 0.188 0.000 1.124 1128 F CA -0.619 57.426 58.000 0.076 0.000 1.008 1128 F CB 1.972 40.946 39.000 -0.042 0.000 1.139 1128 F HN 0.368 nan 8.300 nan 0.000 0.452 1129 A N 3.198 126.376 122.820 0.596 0.000 2.271 1129 A HA 0.739 5.059 4.320 -0.000 0.000 0.317 1129 A C -0.632 177.179 177.584 0.380 0.000 1.245 1129 A CA -0.409 51.954 52.037 0.543 0.000 0.857 1129 A CB 0.765 20.207 19.000 0.738 0.000 1.175 1129 A HN 0.645 nan 8.150 nan 0.000 0.512 1130 T N 1.711 116.392 114.554 0.212 0.000 2.861 1130 T HA 0.501 4.851 4.350 -0.000 0.000 0.287 1130 T C -1.284 173.594 174.700 0.296 0.000 1.003 1130 T CA -0.186 62.008 62.100 0.157 0.000 0.977 1130 T CB 1.067 69.890 68.868 -0.074 0.000 0.996 1130 T HN 0.538 nan 8.240 nan 0.000 0.448 1131 Y N 3.316 123.697 120.300 0.135 0.000 2.341 1131 Y HA 0.638 5.188 4.550 -0.000 0.000 0.338 1131 Y C -0.487 175.385 175.900 -0.047 0.000 0.965 1131 Y CA -1.047 57.130 58.100 0.129 0.000 1.108 1131 Y CB 0.991 39.546 38.460 0.158 0.000 1.180 1131 Y HN 0.595 nan 8.280 nan 0.000 0.458 1132 R N 4.138 124.209 120.500 -0.716 0.000 2.686 1132 R HA 0.464 4.804 4.340 -0.000 0.000 0.283 1132 R C -1.727 173.989 176.300 -0.974 0.000 0.978 1132 R CA -1.212 54.438 56.100 -0.751 0.000 0.897 1132 R CB 1.692 31.750 30.300 -0.404 0.000 1.192 1132 R HN 0.639 nan 8.270 nan 0.000 0.457 1133 N N 0.106 118.230 118.700 -0.961 0.000 2.296 1133 N HA 0.198 4.938 4.740 -0.000 0.000 0.294 1133 N C -0.220 175.008 175.510 -0.469 0.000 1.033 1133 N CA -0.357 52.206 53.050 -0.813 0.000 0.839 1133 N CB 2.307 40.131 38.487 -1.105 0.000 1.395 1133 N HN 0.502 nan 8.380 nan 0.000 0.479 1134 T N 1.316 115.690 114.554 -0.301 0.000 2.814 1134 T HA 0.045 4.395 4.350 -0.000 0.000 0.254 1134 T C -0.812 173.881 174.700 -0.011 0.000 1.037 1134 T CA 1.224 63.241 62.100 -0.137 0.000 1.143 1134 T CB -0.193 68.612 68.868 -0.106 0.000 0.866 1134 T HN 0.702 nan 8.240 nan 0.000 0.431 1135 D N 0.474 120.884 120.400 0.017 0.000 2.363 1135 D HA 0.267 4.907 4.640 -0.000 0.000 0.258 1135 D C -0.737 175.681 176.300 0.197 0.000 1.259 1135 D CA -0.560 53.522 54.000 0.137 0.000 0.921 1135 D CB 0.036 40.917 40.800 0.135 0.000 1.201 1135 D HN 0.089 nan 8.370 nan 0.000 0.524 1136 F N 2.927 122.916 119.950 0.066 0.000 2.255 1136 F HA -0.319 4.208 4.527 -0.000 0.000 0.134 1136 F C -0.168 175.783 175.800 0.252 0.000 1.085 1136 F CA 0.399 58.460 58.000 0.102 0.000 0.746 1136 F CB -1.322 37.813 39.000 0.224 0.000 0.588 1136 F HN 0.490 nan 8.300 nan 0.000 0.796 1137 F N 0.129 120.116 119.950 0.061 0.000 3.074 1137 F HA -0.201 4.326 4.527 -0.000 0.000 0.289 1137 F C 1.532 177.351 175.800 0.033 0.000 0.863 1137 F CA 0.778 58.776 58.000 -0.002 0.000 1.121 1137 F CB -1.623 37.313 39.000 -0.107 0.000 1.169 1137 F HN 0.786 nan 8.300 nan 0.000 0.570 1138 G N -0.271 108.625 108.800 0.160 0.000 2.241 1138 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.244 1138 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.244 1138 G C 0.272 175.257 174.900 0.143 0.000 0.998 1138 G CA 0.065 45.244 45.100 0.131 0.000 0.621 1138 G HN 1.166 nan 8.290 nan 0.000 0.519 1139 L N -0.465 120.866 121.223 0.180 0.000 3.048 1139 L HA 0.808 5.148 4.340 -0.000 0.000 0.234 1139 L C -0.018 176.986 176.870 0.223 0.000 1.318 1139 L CA -0.301 54.644 54.840 0.174 0.000 1.109 1139 L CB -0.274 41.876 42.059 0.151 0.000 1.480 1139 L HN 1.339 nan 8.230 nan 0.000 0.495 1140 V N 0.320 120.363 119.914 0.215 0.000 2.455 1140 V HA 0.206 4.326 4.120 -0.000 0.000 0.262 1140 V C -2.263 173.975 176.094 0.239 0.000 1.810 1140 V CA -0.402 62.027 62.300 0.215 0.000 0.759 1140 V CB 1.322 33.276 31.823 0.218 0.000 1.316 1140 V HN 0.628 nan 8.190 nan 0.000 0.460 1141 D N 4.553 125.099 120.400 0.244 0.000 2.481 1141 D HA 0.740 5.380 4.640 -0.000 0.000 0.246 1141 D C 0.662 177.125 176.300 0.272 0.000 1.109 1141 D CA 1.304 55.438 54.000 0.224 0.000 0.845 1141 D CB 1.560 42.463 40.800 0.172 0.000 1.160 1141 D HN 1.942 nan 8.370 nan 0.000 0.534 1142 G N 2.791 111.721 108.800 0.216 0.000 2.149 1142 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.235 1142 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.235 1142 G C -0.405 174.685 174.900 0.316 0.000 1.018 1142 G CA -0.038 45.160 45.100 0.165 0.000 0.728 1142 G HN 0.484 nan 8.290 nan 0.000 0.508 1143 L N 1.616 123.086 121.223 0.413 0.000 2.313 1143 L HA 0.774 5.114 4.340 -0.000 0.000 0.283 1143 L C 0.052 177.115 176.870 0.321 0.000 1.013 1143 L CA -0.626 54.473 54.840 0.432 0.000 0.816 1143 L CB 0.992 43.218 42.059 0.277 0.000 1.236 1143 L HN 0.492 nan 8.230 nan 0.000 0.419 1144 N N 2.975 121.856 118.700 0.301 0.000 2.927 1144 N HA 0.651 5.391 4.740 -0.000 0.000 0.248 1144 N C -1.437 174.280 175.510 0.346 0.000 1.443 1144 N CA -0.792 52.440 53.050 0.302 0.000 0.870 1144 N CB 2.053 40.595 38.487 0.091 0.000 1.444 1144 N HN 0.388 nan 8.380 nan 0.000 0.519 1145 F N -2.460 117.509 119.950 0.032 0.000 2.745 1145 F HA 0.929 5.456 4.527 -0.000 0.000 0.316 1145 F C -2.074 173.747 175.800 0.035 0.000 1.155 1145 F CA -0.943 57.084 58.000 0.044 0.000 0.937 1145 F CB 1.306 40.369 39.000 0.105 0.000 1.361 1145 F HN 0.845 nan 8.300 nan 0.000 0.472 1146 A N 1.345 124.166 122.820 0.001 0.000 2.547 1146 A HA 0.670 4.990 4.320 -0.000 0.000 0.298 1146 A C -2.406 175.272 177.584 0.157 0.000 1.062 1146 A CA -0.372 51.625 52.037 -0.067 0.000 0.748 1146 A CB 1.178 20.122 19.000 -0.093 0.000 1.288 1146 A HN 1.812 nan 8.150 nan 0.000 0.396 1147 V N 2.473 122.511 119.914 0.208 0.000 2.925 1147 V HA 0.919 5.039 4.120 -0.000 0.000 0.311 1147 V C -1.064 175.145 176.094 0.192 0.000 1.104 1147 V CA -0.096 62.340 62.300 0.226 0.000 0.954 1147 V CB 2.143 34.147 31.823 0.301 0.000 1.022 1147 V HN 1.452 nan 8.190 nan 0.000 0.427 1148 Q N 4.394 124.288 119.800 0.158 0.000 2.482 1148 Q HA 0.566 4.906 4.340 -0.000 0.000 0.286 1148 Q C -2.161 173.990 176.000 0.250 0.000 1.007 1148 Q CA -0.845 55.065 55.803 0.179 0.000 0.801 1148 Q CB 2.246 30.992 28.738 0.013 0.000 1.455 1148 Q HN 0.808 nan 8.270 nan 0.000 0.398 1149 Y N 1.434 121.853 120.300 0.199 0.000 2.338 1149 Y HA 0.385 4.935 4.550 -0.000 0.000 0.333 1149 Y C -1.630 174.459 175.900 0.314 0.000 0.968 1149 Y CA -0.412 57.817 58.100 0.215 0.000 1.123 1149 Y CB 2.096 40.670 38.460 0.190 0.000 1.165 1149 Y HN 0.823 nan 8.280 nan 0.000 0.452 1150 Q N 4.786 124.582 119.800 -0.006 0.000 2.316 1150 Q HA 0.730 5.070 4.340 -0.000 0.000 0.264 1150 Q C -0.424 175.396 176.000 -0.300 0.000 0.987 1150 Q CA -1.117 54.704 55.803 0.030 0.000 0.852 1150 Q CB 2.060 30.903 28.738 0.176 0.000 1.287 1150 Q HN 0.917 nan 8.270 nan 0.000 0.448 1151 G N 2.154 110.901 108.800 -0.089 0.000 2.527 1151 G HA2 0.129 4.089 3.960 -0.000 0.000 0.248 1151 G HA3 0.129 4.089 3.960 -0.000 0.000 0.248 1151 G C -0.654 174.222 174.900 -0.040 0.000 1.231 1151 G CA -0.710 44.361 45.100 -0.049 0.000 0.838 1151 G HN 0.782 nan 8.290 nan 0.000 0.570 1152 K N 0.767 121.156 120.400 -0.018 0.000 2.527 1152 K HA -0.042 4.278 4.320 -0.000 0.000 0.278 1152 K C -0.444 176.146 176.600 -0.016 0.000 0.981 1152 K CA 0.326 56.607 56.287 -0.009 0.000 1.009 1152 K CB 0.114 32.626 32.500 0.020 0.000 0.895 1152 K HN 0.563 nan 8.250 nan 0.000 0.493 1153 N N 3.540 122.211 118.700 -0.048 0.000 2.573 1153 N HA 0.174 4.914 4.740 -0.000 0.000 0.262 1153 N C -0.216 175.250 175.510 -0.074 0.000 1.029 1153 N CA -0.537 52.474 53.050 -0.066 0.000 0.882 1153 N CB 1.951 40.374 38.487 -0.107 0.000 1.204 1153 N HN 0.760 nan 8.380 nan 0.000 0.519 1154 G N 1.564 110.332 108.800 -0.053 0.000 3.434 1154 G HA2 0.146 4.106 3.960 -0.000 0.000 0.192 1154 G HA3 0.146 4.106 3.960 -0.000 0.000 0.192 1154 G C 0.215 175.061 174.900 -0.089 0.000 1.704 1154 G CA -0.047 45.026 45.100 -0.046 0.000 0.936 1154 G HN 0.338 nan 8.290 nan 0.000 0.623 1155 N N 0.750 119.392 118.700 -0.096 0.000 2.489 1155 N HA 0.346 5.085 4.740 -0.000 0.000 0.284 1155 N C -1.881 173.414 175.510 -0.358 0.000 1.158 1155 N CA -1.710 51.236 53.050 -0.174 0.000 0.965 1155 N CB 1.846 40.259 38.487 -0.123 0.000 1.195 1155 N HN -0.092 nan 8.380 nan 0.000 0.506 1156 P HA 0.023 nan 4.420 nan 0.000 0.223 1156 P C 0.455 176.650 177.300 -1.842 0.000 1.151 1156 P CA 1.080 63.644 63.100 -0.893 0.000 0.787 1156 P CB 0.478 31.831 31.700 -0.577 0.000 0.788 1157 S N -0.837 114.427 115.700 -0.726 0.000 2.118 1157 S HA 0.346 4.816 4.470 -0.000 0.000 0.175 1157 S C 1.588 176.558 174.600 0.616 0.000 1.365 1157 S CA 0.695 58.951 58.200 0.095 0.000 1.837 1157 S CB -0.861 62.373 63.200 0.055 0.000 0.537 1157 S HN 0.173 nan 8.310 nan 0.000 0.374 1158 G N 0.145 109.113 108.800 0.280 0.000 4.110 1158 G HA2 0.456 4.416 3.960 -0.000 0.000 0.292 1158 G HA3 0.456 4.416 3.960 -0.000 0.000 0.292 1158 G C -0.716 174.255 174.900 0.119 0.000 1.020 1158 G CA -0.025 45.188 45.100 0.188 0.000 0.808 1158 G HN 0.357 nan 8.290 nan 0.000 0.474 1159 E N -0.577 119.700 120.200 0.130 0.000 2.846 1159 E HA 0.405 4.755 4.350 -0.000 0.000 0.363 1159 E C 0.407 177.061 176.600 0.090 0.000 0.933 1159 E CA -0.025 56.428 56.400 0.089 0.000 0.766 1159 E CB 0.166 29.904 29.700 0.064 0.000 1.404 1159 E HN 1.008 nan 8.360 nan 0.000 0.408 1160 G N 3.559 112.415 108.800 0.094 0.000 2.143 1160 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.249 1160 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.249 1160 G C 0.286 175.256 174.900 0.118 0.000 0.981 1160 G CA -0.111 45.041 45.100 0.087 0.000 0.665 1160 G HN 0.478 nan 8.290 nan 0.000 0.528 1161 F N 2.130 122.087 119.950 0.012 0.000 2.684 1161 F HA 0.350 4.877 4.527 -0.000 0.000 0.334 1161 F C 1.483 177.289 175.800 0.011 0.000 1.170 1161 F CA 1.919 59.925 58.000 0.009 0.000 1.376 1161 F CB 0.643 39.648 39.000 0.010 0.000 1.056 1161 F HN 0.355 nan 8.300 nan 0.000 0.632 1162 T N 0.585 115.214 114.554 0.126 0.000 2.893 1162 T HA 0.367 4.717 4.350 -0.000 0.000 0.293 1162 T C 0.514 175.323 174.700 0.181 0.000 1.027 1162 T CA -0.288 61.891 62.100 0.131 0.000 0.988 1162 T CB 1.450 70.353 68.868 0.059 0.000 1.043 1162 T HN 0.845 nan 8.240 nan 0.000 0.461 1163 S N 2.544 118.369 115.700 0.209 0.000 2.112 1163 S HA -0.175 4.295 4.470 -0.000 0.000 0.467 1163 S C 1.109 175.777 174.600 0.114 0.000 0.990 1163 S CA 1.814 60.117 58.200 0.171 0.000 2.788 1163 S CB -1.480 61.786 63.200 0.111 0.000 2.015 1163 S HN 1.810 nan 8.310 nan 0.000 0.525 1164 G N 1.080 109.914 108.800 0.056 0.000 2.603 1164 G HA2 0.607 4.567 3.960 -0.000 0.000 0.324 1164 G HA3 0.607 4.567 3.960 -0.000 0.000 0.324 1164 G C -0.871 174.011 174.900 -0.029 0.000 1.178 1164 G CA 0.023 45.133 45.100 0.017 0.000 1.023 1164 G HN 0.883 nan 8.290 nan 0.000 0.482 1165 V N 0.374 120.237 119.914 -0.085 0.000 3.130 1165 V HA 0.908 5.028 4.120 -0.000 0.000 0.308 1165 V C -0.125 175.856 176.094 -0.188 0.000 1.413 1165 V CA -0.744 61.468 62.300 -0.146 0.000 1.053 1165 V CB 1.402 33.100 31.823 -0.207 0.000 1.075 1165 V HN 0.792 nan 8.190 nan 0.000 0.465 1166 T N -0.163 114.274 114.554 -0.195 0.000 2.711 1166 T HA 0.408 4.758 4.350 -0.000 0.000 0.302 1166 T C -1.450 173.153 174.700 -0.161 0.000 1.373 1166 T CA -0.403 61.594 62.100 -0.171 0.000 1.000 1166 T CB 1.847 70.621 68.868 -0.157 0.000 1.483 1166 T HN 1.113 nan 8.240 nan 0.000 0.499 1167 N N 1.398 120.012 118.700 -0.143 0.000 2.443 1167 N HA 0.303 5.043 4.740 -0.000 0.000 0.294 1167 N C 0.171 175.602 175.510 -0.131 0.000 1.289 1167 N CA -0.539 52.438 53.050 -0.122 0.000 0.966 1167 N CB 0.157 38.577 38.487 -0.111 0.000 1.122 1167 N HN 0.805 nan 8.380 nan 0.000 0.569 1168 N N -2.560 116.068 118.700 -0.120 0.000 2.118 1168 N HA 0.077 4.817 4.740 -0.000 0.000 0.226 1168 N C 1.398 176.817 175.510 -0.152 0.000 1.305 1168 N CA 0.146 53.117 53.050 -0.132 0.000 0.890 1168 N CB -0.193 38.243 38.487 -0.085 0.000 1.118 1168 N HN 0.658 nan 8.380 nan 0.000 0.511 1169 G N 2.273 110.979 108.800 -0.157 0.000 2.681 1169 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.224 1169 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.224 1169 G C 1.522 176.283 174.900 -0.231 0.000 1.100 1169 G CA 0.917 45.908 45.100 -0.180 0.000 0.743 1169 G HN 0.413 nan 8.290 nan 0.000 0.612 1170 R N 0.518 120.885 120.500 -0.221 0.000 2.362 1170 R HA 0.222 4.562 4.340 -0.000 0.000 0.227 1170 R C -0.164 175.954 176.300 -0.302 0.000 0.905 1170 R CA 0.073 56.012 56.100 -0.268 0.000 1.067 1170 R CB 0.267 30.419 30.300 -0.247 0.000 1.078 1170 R HN 0.304 nan 8.270 nan 0.000 0.516 1182 G N -1.239 107.579 108.800 0.030 0.000 2.623 1182 G HA2 0.908 4.868 3.960 -0.000 0.000 0.290 1182 G HA3 0.908 4.868 3.960 -0.000 0.000 0.290 1182 G C -0.712 174.210 174.900 0.037 0.000 1.437 1182 G CA 0.623 45.761 45.100 0.063 0.000 0.798 1182 G HN 1.971 nan 8.290 nan 0.000 0.488 1183 S N -0.812 114.930 115.700 0.070 0.000 2.556 1183 S HA 0.789 5.258 4.470 -0.000 0.000 0.271 1183 S C -0.898 173.781 174.600 0.131 0.000 1.135 1183 S CA -0.783 57.441 58.200 0.039 0.000 0.858 1183 S CB 2.072 65.234 63.200 -0.063 0.000 1.114 1183 S HN 1.904 nan 8.310 nan 0.000 0.468 1184 I N -0.745 119.893 120.570 0.113 0.000 2.828 1184 I HA 0.950 5.120 4.170 -0.000 0.000 0.302 1184 I C -0.697 175.503 176.117 0.139 0.000 1.101 1184 I CA -0.881 60.522 61.300 0.172 0.000 1.031 1184 I CB 0.961 39.034 38.000 0.122 0.000 1.231 1184 I HN 1.118 nan 8.210 nan 0.000 0.427 1185 T N 1.971 116.647 114.554 0.203 0.000 3.047 1185 T HA 0.590 4.940 4.350 -0.000 0.000 0.340 1185 T C -1.817 173.111 174.700 0.380 0.000 1.421 1185 T CA -0.504 61.756 62.100 0.265 0.000 1.090 1185 T CB 1.394 70.394 68.868 0.221 0.000 1.292 1185 T HN 0.876 nan 8.240 nan 0.000 0.480 1186 Y N 1.140 121.601 120.300 0.268 0.000 2.446 1186 Y HA 0.629 5.179 4.550 -0.000 0.000 0.345 1186 Y C 0.142 176.203 175.900 0.267 0.000 0.984 1186 Y CA -1.111 57.141 58.100 0.254 0.000 1.058 1186 Y CB 2.501 41.098 38.460 0.228 0.000 1.220 1186 Y HN 0.847 nan 8.280 nan 0.000 0.455 1187 D N 2.154 121.985 120.400 -0.949 0.000 2.414 1187 D HA -0.041 4.599 4.640 -0.000 0.000 0.237 1187 D C -0.406 175.567 176.300 -0.546 0.000 0.975 1187 D CA 1.161 54.766 54.000 -0.659 0.000 0.917 1187 D CB -0.146 40.471 40.800 -0.306 0.000 1.061 1187 D HN 0.499 nan 8.370 nan 0.000 0.480 1188 Y N 1.884 121.893 120.300 -0.485 0.000 3.063 1188 Y HA -0.244 4.306 4.550 -0.000 0.000 0.222 1188 Y C -0.727 175.183 175.900 0.018 0.000 1.071 1188 Y CA -0.481 57.557 58.100 -0.103 0.000 0.749 1188 Y CB -2.554 35.902 38.460 -0.005 0.000 1.094 1188 Y HN -0.025 nan 8.280 nan 0.000 0.397 1189 E N 0.349 120.498 120.200 -0.086 0.000 1.820 1189 E HA -0.012 4.338 4.350 -0.000 0.000 0.296 1189 E C 0.979 177.475 176.600 -0.174 0.000 1.702 1189 E CA 2.191 58.525 56.400 -0.109 0.000 1.076 1189 E CB -1.178 28.508 29.700 -0.024 0.000 0.745 1189 E HN 1.970 nan 8.360 nan 0.000 0.333 1190 G N 1.618 110.169 108.800 -0.416 0.000 2.801 1190 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.686 1190 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.686 1190 G C -0.283 174.234 174.900 -0.639 0.000 1.507 1190 G CA -0.226 44.405 45.100 -0.782 0.000 0.980 1190 G HN 0.965 nan 8.290 nan 0.000 0.589 1191 F N -2.651 116.945 119.950 -0.589 0.000 2.157 1191 F HA 0.164 4.691 4.527 -0.000 0.000 0.523 1191 F C 0.966 176.389 175.800 -0.628 0.000 1.291 1191 F CA 0.804 58.481 58.000 -0.539 0.000 1.676 1191 F CB -1.028 37.471 39.000 -0.836 0.000 2.685 1191 F HN 1.570 nan 8.300 nan 0.000 0.723 1192 G N 3.538 112.150 108.800 -0.314 0.000 2.482 1192 G HA2 0.834 4.794 3.960 -0.000 0.000 0.317 1192 G HA3 0.834 4.794 3.960 -0.000 0.000 0.317 1192 G C -1.022 173.935 174.900 0.094 0.000 1.241 1192 G CA -0.937 44.031 45.100 -0.220 0.000 0.967 1192 G HN 0.471 nan 8.290 nan 0.000 0.482 1193 I N -0.087 120.669 120.570 0.310 0.000 3.023 1193 I HA 0.896 5.066 4.170 -0.000 0.000 0.312 1193 I C 0.545 176.947 176.117 0.476 0.000 1.056 1193 I CA -1.272 60.256 61.300 0.380 0.000 1.033 1193 I CB 1.353 39.557 38.000 0.340 0.000 1.233 1193 I HN 0.783 nan 8.210 nan 0.000 0.462 1194 G N 0.426 109.446 108.800 0.366 0.000 2.658 1194 G HA2 0.579 4.539 3.960 -0.000 0.000 0.301 1194 G HA3 0.579 4.539 3.960 -0.000 0.000 0.301 1194 G C -1.177 173.787 174.900 0.107 0.000 1.481 1194 G CA -0.462 44.762 45.100 0.207 0.000 0.931 1194 G HN 0.931 nan 8.290 nan 0.000 0.573 1195 G N -0.819 108.023 108.800 0.070 0.000 2.432 1195 G HA2 0.986 4.946 3.960 -0.000 0.000 0.331 1195 G HA3 0.986 4.946 3.960 -0.000 0.000 0.331 1195 G C -0.473 174.426 174.900 -0.002 0.000 1.170 1195 G CA 0.007 45.139 45.100 0.053 0.000 0.943 1195 G HN 1.756 nan 8.290 nan 0.000 0.483 1196 A N 0.538 123.350 122.820 -0.013 0.000 2.488 1196 A HA 0.707 5.027 4.320 -0.000 0.000 0.298 1196 A C -1.451 176.105 177.584 -0.047 0.000 1.044 1196 A CA -0.454 51.555 52.037 -0.046 0.000 0.693 1196 A CB 1.343 20.279 19.000 -0.107 0.000 1.272 1196 A HN 0.603 nan 8.150 nan 0.000 0.402 1197 I N 1.704 122.241 120.570 -0.056 0.000 2.465 1197 I HA 0.667 4.837 4.170 -0.000 0.000 0.291 1197 I C 0.318 176.339 176.117 -0.161 0.000 1.014 1197 I CA -0.223 60.991 61.300 -0.143 0.000 1.093 1197 I CB 2.172 40.143 38.000 -0.048 0.000 1.267 1197 I HN 0.695 nan 8.210 nan 0.000 0.431 1198 S N 2.831 118.379 115.700 -0.255 0.000 2.564 1198 S HA 0.890 5.360 4.470 -0.000 0.000 0.274 1198 S C -0.793 173.703 174.600 -0.173 0.000 1.124 1198 S CA -0.756 57.357 58.200 -0.144 0.000 0.869 1198 S CB 1.981 65.123 63.200 -0.096 0.000 1.105 1198 S HN 0.554 nan 8.310 nan 0.000 0.472 1199 S N 0.792 116.436 115.700 -0.094 0.000 2.668 1199 S HA 0.720 5.190 4.470 -0.000 0.000 0.277 1199 S C -1.482 173.071 174.600 -0.078 0.000 1.170 1199 S CA -0.489 57.648 58.200 -0.104 0.000 0.994 1199 S CB 1.085 64.245 63.200 -0.068 0.000 1.051 1199 S HN 0.868 nan 8.310 nan 0.000 0.484 1200 S N 3.424 119.045 115.700 -0.132 0.000 2.532 1200 S HA 0.482 4.952 4.470 -0.000 0.000 0.299 1200 S C -0.625 173.932 174.600 -0.072 0.000 1.105 1200 S CA -0.929 57.232 58.200 -0.065 0.000 1.018 1200 S CB 1.637 64.862 63.200 0.040 0.000 1.021 1200 S HN 0.734 nan 8.310 nan 0.000 0.483 1201 K N 2.157 122.548 120.400 -0.015 0.000 2.469 1201 K HA 0.088 4.408 4.320 -0.000 0.000 0.274 1201 K C -0.241 176.382 176.600 0.038 0.000 0.983 1201 K CA 0.259 56.546 56.287 0.000 0.000 0.974 1201 K CB 0.398 32.909 32.500 0.018 0.000 0.913 1201 K HN 0.536 nan 8.250 nan 0.000 0.493 1202 R N 2.255 122.780 120.500 0.040 0.000 2.393 1202 R HA 0.210 4.550 4.340 -0.000 0.000 0.310 1202 R C -0.299 176.064 176.300 0.105 0.000 0.968 1202 R CA -0.781 55.397 56.100 0.130 0.000 0.867 1202 R CB 1.024 31.392 30.300 0.114 0.000 1.124 1202 R HN 0.814 nan 8.270 nan 0.000 0.450 1203 T N -0.921 113.701 114.554 0.112 0.000 2.932 1203 T HA -0.024 4.326 4.350 -0.000 0.000 0.312 1203 T C 0.664 175.400 174.700 0.059 0.000 1.071 1203 T CA -0.536 61.605 62.100 0.068 0.000 1.128 1203 T CB 0.576 69.472 68.868 0.047 0.000 0.984 1203 T HN 0.435 nan 8.240 nan 0.000 0.549 1204 D N 1.941 122.370 120.400 0.048 0.000 2.158 1204 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 1204 D C 2.325 178.651 176.300 0.042 0.000 0.995 1204 D CA 1.721 55.747 54.000 0.044 0.000 0.846 1204 D CB -0.856 39.968 40.800 0.039 0.000 0.941 1204 D HN 0.786 nan 8.370 nan 0.000 0.456 1205 A N 1.343 124.184 122.820 0.034 0.000 1.908 1205 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 1205 A C 2.014 179.619 177.584 0.035 0.000 1.181 1205 A CA 1.960 54.013 52.037 0.027 0.000 0.627 1205 A CB -0.825 18.179 19.000 0.007 0.000 0.818 1205 A HN 0.460 nan 8.150 nan 0.000 0.445 1206 Q N -0.897 118.931 119.800 0.046 0.000 2.515 1206 Q HA 0.041 4.381 4.340 -0.000 0.000 0.212 1206 Q C -0.342 175.703 176.000 0.076 0.000 0.970 1206 Q CA 0.489 56.329 55.803 0.061 0.000 0.941 1206 Q CB -0.249 28.543 28.738 0.089 0.000 0.998 1206 Q HN 0.420 nan 8.270 nan 0.000 0.518 1207 N N 1.819 120.559 118.700 0.067 0.000 2.990 1207 N HA 0.081 4.821 4.740 -0.000 0.000 0.288 1207 N C -1.057 174.490 175.510 0.060 0.000 1.624 1207 N CA 0.153 53.242 53.050 0.066 0.000 0.961 1207 N CB 1.442 39.965 38.487 0.060 0.000 1.259 1207 N HN 0.298 nan 8.380 nan 0.000 0.489 1208 T N -2.672 111.922 114.554 0.067 0.000 3.816 1208 T HA 0.342 4.692 4.350 -0.000 0.000 0.232 1208 T C 0.749 175.491 174.700 0.070 0.000 1.125 1208 T CA -0.164 61.972 62.100 0.061 0.000 1.609 1208 T CB 0.124 69.025 68.868 0.055 0.000 0.805 1208 T HN 0.180 nan 8.240 nan 0.000 0.647 1209 A N 0.574 123.437 122.820 0.072 0.000 2.539 1209 A HA 0.014 4.334 4.320 -0.000 0.000 0.333 1209 A C 1.314 178.950 177.584 0.088 0.000 1.513 1209 A CA 1.302 53.384 52.037 0.075 0.000 1.175 1209 A CB -2.008 17.022 19.000 0.050 0.000 0.823 1209 A HN 1.921 nan 8.150 nan 0.000 0.443 1210 A N -1.400 121.491 122.820 0.118 0.000 2.313 1210 A HA 0.525 4.845 4.320 -0.000 0.000 0.261 1210 A C 1.121 178.889 177.584 0.306 0.000 1.090 1210 A CA 0.139 52.298 52.037 0.204 0.000 0.807 1210 A CB -0.071 19.058 19.000 0.216 0.000 1.055 1210 A HN 0.998 nan 8.150 nan 0.000 0.492 1211 Y N 0.333 120.660 120.300 0.046 0.000 2.130 1211 Y HA -0.270 4.280 4.550 -0.000 0.000 0.245 1211 Y C 0.958 176.915 175.900 0.095 0.000 1.287 1211 Y CA 1.639 59.783 58.100 0.073 0.000 1.047 1211 Y CB -1.947 36.558 38.460 0.076 0.000 0.849 1211 Y HN 0.663 nan 8.280 nan 0.000 0.517 1212 I N -4.729 115.966 120.570 0.208 0.000 2.771 1212 I HA 0.633 4.803 4.170 -0.000 0.000 0.291 1212 I C -0.196 175.998 176.117 0.129 0.000 1.527 1212 I CA -0.856 60.547 61.300 0.171 0.000 1.024 1212 I CB 2.069 40.190 38.000 0.203 0.000 1.388 1212 I HN 0.402 nan 8.210 nan 0.000 0.447 1213 G N 2.071 110.942 108.800 0.118 0.000 3.199 1213 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.680 1213 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.680 1213 G C -0.727 174.224 174.900 0.085 0.000 1.197 1213 G CA -0.283 44.876 45.100 0.098 0.000 1.143 1213 G HN 1.152 nan 8.290 nan 0.000 0.492 1214 N N 1.197 119.943 118.700 0.077 0.000 2.498 1214 N HA 0.463 5.203 4.740 -0.000 0.000 0.277 1214 N C 1.119 176.664 175.510 0.057 0.000 1.208 1214 N CA 0.610 53.698 53.050 0.062 0.000 1.029 1214 N CB 0.527 39.047 38.487 0.054 0.000 1.403 1214 N HN 1.636 nan 8.380 nan 0.000 0.500 1215 G N 2.104 110.938 108.800 0.057 0.000 2.915 1215 G HA2 0.103 4.063 3.960 -0.000 0.000 0.298 1215 G HA3 0.103 4.063 3.960 -0.000 0.000 0.298 1215 G C 0.555 175.471 174.900 0.027 0.000 0.837 1215 G CA -0.463 44.665 45.100 0.046 0.000 1.752 1215 G HN 0.649 nan 8.290 nan 0.000 0.526 1216 D N 2.317 122.726 120.400 0.016 0.000 2.128 1216 D HA 0.032 4.672 4.640 -0.000 0.000 0.213 1216 D C 1.491 177.778 176.300 -0.022 0.000 0.983 1216 D CA 0.827 54.829 54.000 0.004 0.000 0.889 1216 D CB 0.397 41.201 40.800 0.006 0.000 1.018 1216 D HN 0.354 nan 8.370 nan 0.000 0.448 1217 R N -0.639 119.835 120.500 -0.044 0.000 2.606 1217 R HA 0.770 5.110 4.340 -0.000 0.000 0.249 1217 R C -0.537 175.647 176.300 -0.193 0.000 1.127 1217 R CA -0.687 55.354 56.100 -0.098 0.000 1.133 1217 R CB 1.269 31.523 30.300 -0.076 0.000 1.243 1217 R HN 0.097 nan 8.270 nan 0.000 0.558 1218 A N 0.659 123.265 122.820 -0.356 0.000 2.304 1218 A HA 0.462 4.782 4.320 -0.000 0.000 0.314 1218 A C -1.031 176.381 177.584 -0.288 0.000 1.187 1218 A CA -0.589 51.147 52.037 -0.500 0.000 0.810 1218 A CB 0.621 18.866 19.000 -1.259 0.000 1.183 1218 A HN 0.669 nan 8.150 nan 0.000 0.487 1219 E N 0.993 121.140 120.200 -0.088 0.000 2.248 1219 E HA 0.608 4.958 4.350 -0.000 0.000 0.267 1219 E C -0.820 175.777 176.600 -0.005 0.000 0.877 1219 E CA -0.703 55.668 56.400 -0.048 0.000 0.759 1219 E CB 2.443 32.209 29.700 0.110 0.000 1.182 1219 E HN 0.718 nan 8.360 nan 0.000 0.418 1220 T N -0.363 114.046 114.554 -0.242 0.000 2.912 1220 T HA 0.607 4.957 4.350 -0.000 0.000 0.299 1220 T C -1.301 173.151 174.700 -0.412 0.000 1.052 1220 T CA -0.648 61.348 62.100 -0.172 0.000 0.996 1220 T CB 0.708 69.504 68.868 -0.121 0.000 1.070 1220 T HN 0.379 nan 8.240 nan 0.000 0.465 1221 Y N 0.692 121.006 120.300 0.023 0.000 2.332 1221 Y HA 0.636 5.185 4.550 -0.000 0.000 0.325 1221 Y C 0.148 176.053 175.900 0.009 0.000 1.054 1221 Y CA -0.681 57.448 58.100 0.048 0.000 1.119 1221 Y CB 2.709 41.236 38.460 0.111 0.000 1.168 1221 Y HN 0.963 nan 8.280 nan 0.000 0.439 1222 T N 2.294 116.916 114.554 0.113 0.000 2.991 1222 T HA 0.757 5.107 4.350 -0.000 0.000 0.303 1222 T C -0.607 174.143 174.700 0.084 0.000 1.015 1222 T CA -0.429 61.705 62.100 0.057 0.000 1.007 1222 T CB 0.827 69.666 68.868 -0.047 0.000 1.034 1222 T HN 0.884 nan 8.240 nan 0.000 0.446 1223 G N 1.492 110.381 108.800 0.148 0.000 2.481 1223 G HA2 0.800 4.760 3.960 -0.000 0.000 0.315 1223 G HA3 0.800 4.760 3.960 -0.000 0.000 0.315 1223 G C -0.423 174.589 174.900 0.187 0.000 1.231 1223 G CA -0.577 44.621 45.100 0.164 0.000 0.968 1223 G HN 1.006 nan 8.290 nan 0.000 0.482 1224 G N -0.902 108.025 108.800 0.211 0.000 2.690 1224 G HA2 0.609 4.569 3.960 -0.000 0.000 0.293 1224 G HA3 0.609 4.569 3.960 -0.000 0.000 0.293 1224 G C -2.151 173.003 174.900 0.424 0.000 1.399 1224 G CA -0.563 44.726 45.100 0.315 0.000 0.890 1224 G HN 0.617 nan 8.290 nan 0.000 0.485 1225 L N 0.676 122.113 121.223 0.357 0.000 2.408 1225 L HA 0.789 5.129 4.340 -0.000 0.000 0.268 1225 L C -0.113 176.742 176.870 -0.025 0.000 0.986 1225 L CA -0.763 54.188 54.840 0.185 0.000 0.820 1225 L CB 2.196 44.352 42.059 0.162 0.000 1.303 1225 L HN 0.911 nan 8.230 nan 0.000 0.411 1226 K N 1.934 122.175 120.400 -0.264 0.000 2.578 1226 K HA 0.648 4.968 4.320 -0.000 0.000 0.287 1226 K C -2.082 174.213 176.600 -0.508 0.000 1.010 1226 K CA -0.901 55.079 56.287 -0.511 0.000 0.889 1226 K CB 2.265 34.198 32.500 -0.945 0.000 1.514 1226 K HN 0.320 nan 8.250 nan 0.000 0.424 1227 Y N 1.287 121.126 120.300 -0.769 0.000 2.298 1227 Y HA 0.370 4.920 4.550 -0.000 0.000 0.322 1227 Y C -2.310 173.100 175.900 -0.816 0.000 1.138 1227 Y CA -0.707 56.899 58.100 -0.823 0.000 1.127 1227 Y CB 1.899 39.932 38.460 -0.711 0.000 1.178 1227 Y HN 0.871 nan 8.280 nan 0.000 0.428 1228 D N 5.201 124.603 120.400 -1.664 0.000 2.375 1228 D HA 0.717 5.357 4.640 -0.000 0.000 0.241 1228 D C -1.749 174.016 176.300 -0.891 0.000 1.361 1228 D CA 0.172 53.508 54.000 -1.106 0.000 0.995 1228 D CB 0.904 41.262 40.800 -0.737 0.000 1.312 1228 D HN 0.846 nan 8.370 nan 0.000 0.576 1229 A N 3.395 125.765 122.820 -0.749 0.000 2.573 1229 A HA 0.581 4.901 4.320 -0.000 0.000 0.299 1229 A C -0.687 176.747 177.584 -0.250 0.000 1.060 1229 A CA -0.755 51.002 52.037 -0.466 0.000 0.736 1229 A CB 0.330 19.014 19.000 -0.527 0.000 1.280 1229 A HN 0.601 nan 8.150 nan 0.000 0.401 1230 N N 3.152 121.740 118.700 -0.188 0.000 2.608 1230 N HA -0.214 4.526 4.740 -0.000 0.000 0.273 1230 N C 0.482 175.856 175.510 -0.227 0.000 1.133 1230 N CA 0.813 53.780 53.050 -0.139 0.000 0.726 1230 N CB -1.029 37.433 38.487 -0.040 0.000 0.890 1230 N HN 0.875 nan 8.380 nan 0.000 0.548 1231 N N -2.374 116.111 118.700 -0.357 0.000 2.809 1231 N HA -0.255 4.485 4.740 -0.000 0.000 0.244 1231 N C -0.427 174.646 175.510 -0.729 0.000 1.018 1231 N CA 1.521 54.147 53.050 -0.706 0.000 0.917 1231 N CB -0.710 37.101 38.487 -1.127 0.000 1.130 1231 N HN 0.625 nan 8.380 nan 0.000 0.591 1232 I N 0.878 121.262 120.570 -0.310 0.000 2.336 1232 I HA 0.194 4.364 4.170 -0.000 0.000 0.292 1232 I C -0.335 175.743 176.117 -0.065 0.000 0.991 1232 I CA -0.719 60.530 61.300 -0.086 0.000 1.227 1232 I CB 0.996 39.071 38.000 0.123 0.000 1.366 1232 I HN -0.027 nan 8.210 nan 0.000 0.466 1233 Y N 7.638 127.851 120.300 -0.144 0.000 2.334 1233 Y HA 0.530 5.080 4.550 -0.000 0.000 0.336 1233 Y C -1.309 174.557 175.900 -0.057 0.000 0.960 1233 Y CA -0.710 57.303 58.100 -0.144 0.000 1.164 1233 Y CB 0.896 39.254 38.460 -0.169 0.000 1.155 1233 Y HN 0.364 nan 8.280 nan 0.000 0.478 1234 L N 5.364 126.331 121.223 -0.427 0.000 2.365 1234 L HA 0.930 5.270 4.340 -0.000 0.000 0.273 1234 L C -0.878 175.703 176.870 -0.482 0.000 1.000 1234 L CA -0.828 53.859 54.840 -0.255 0.000 0.819 1234 L CB 1.592 43.596 42.059 -0.091 0.000 1.284 1234 L HN 0.763 nan 8.230 nan 0.000 0.418 1235 A N 2.393 125.103 122.820 -0.184 0.000 2.583 1235 A HA 0.969 5.288 4.320 -0.000 0.000 0.292 1235 A C -1.842 175.761 177.584 0.031 0.000 1.045 1235 A CA 0.013 51.986 52.037 -0.107 0.000 0.672 1235 A CB 1.316 20.247 19.000 -0.115 0.000 1.283 1235 A HN 1.203 nan 8.150 nan 0.000 0.419 1236 A N 0.674 123.533 122.820 0.065 0.000 2.589 1236 A HA 0.824 5.144 4.320 -0.000 0.000 0.296 1236 A C -1.325 176.336 177.584 0.129 0.000 1.062 1236 A CA -0.311 51.758 52.037 0.053 0.000 0.686 1236 A CB 1.899 20.978 19.000 0.133 0.000 1.282 1236 A HN 1.508 nan 8.150 nan 0.000 0.404 1237 Q N 1.187 121.017 119.800 0.050 0.000 2.309 1237 Q HA 0.543 4.883 4.340 -0.000 0.000 0.273 1237 Q C -2.570 173.514 176.000 0.140 0.000 1.040 1237 Q CA -0.447 55.421 55.803 0.108 0.000 0.834 1237 Q CB 2.071 30.839 28.738 0.051 0.000 1.345 1237 Q HN 1.119 nan 8.270 nan 0.000 0.414 1238 Y N 1.792 122.161 120.300 0.115 0.000 2.396 1238 Y HA 0.603 5.153 4.550 -0.000 0.000 0.332 1238 Y C -1.677 174.311 175.900 0.147 0.000 1.034 1238 Y CA -0.203 58.012 58.100 0.193 0.000 1.057 1238 Y CB 2.127 40.787 38.460 0.332 0.000 1.220 1238 Y HN 0.641 nan 8.280 nan 0.000 0.440 1239 T N 5.618 119.688 114.554 -0.807 0.000 3.041 1239 T HA 0.509 4.859 4.350 -0.000 0.000 0.321 1239 T C -2.037 172.308 174.700 -0.591 0.000 1.184 1239 T CA -0.653 61.137 62.100 -0.517 0.000 1.050 1239 T CB 1.446 70.206 68.868 -0.181 0.000 1.159 1239 T HN 0.821 nan 8.240 nan 0.000 0.469 1240 Q N 2.015 121.623 119.800 -0.320 0.000 2.356 1240 Q HA 0.725 5.065 4.340 -0.000 0.000 0.270 1240 Q C -0.663 175.300 176.000 -0.062 0.000 1.058 1240 Q CA -1.085 54.599 55.803 -0.200 0.000 0.802 1240 Q CB 2.011 30.668 28.738 -0.136 0.000 1.303 1240 Q HN 0.746 nan 8.270 nan 0.000 0.444 1241 T N -0.982 113.455 114.554 -0.196 0.000 2.950 1241 T HA 0.639 4.989 4.350 -0.000 0.000 0.288 1241 T C -1.013 173.429 174.700 -0.431 0.000 1.035 1241 T CA -0.612 61.407 62.100 -0.136 0.000 1.028 1241 T CB 0.883 69.701 68.868 -0.084 0.000 1.109 1241 T HN 0.540 nan 8.240 nan 0.000 0.514 1242 Y N 0.876 121.210 120.300 0.056 0.000 2.329 1242 Y HA 0.398 4.948 4.550 -0.000 0.000 0.328 1242 Y C 0.391 176.273 175.900 -0.031 0.000 0.992 1242 Y CA -0.971 57.152 58.100 0.038 0.000 1.151 1242 Y CB 1.324 39.831 38.460 0.078 0.000 1.150 1242 Y HN 0.812 nan 8.280 nan 0.000 0.450 1243 N N 1.555 120.311 118.700 0.093 0.000 2.747 1243 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 1243 N C 0.162 175.652 175.510 -0.033 0.000 1.107 1243 N CA 1.070 54.140 53.050 0.033 0.000 0.707 1243 N CB -1.125 37.373 38.487 0.019 0.000 1.054 1243 N HN 0.779 nan 8.380 nan 0.000 0.555 1244 A N -1.900 120.925 122.820 0.009 0.000 2.701 1244 A HA 0.239 4.559 4.320 -0.000 0.000 0.241 1244 A C 0.406 178.096 177.584 0.177 0.000 1.231 1244 A CA 0.182 52.267 52.037 0.080 0.000 1.003 1244 A CB 0.602 19.541 19.000 -0.102 0.000 1.281 1244 A HN 0.097 nan 8.150 nan 0.000 0.600 1245 T N 2.013 116.629 114.554 0.102 0.000 2.733 1245 T HA 0.299 4.649 4.350 -0.000 0.000 0.294 1245 T C 0.153 174.897 174.700 0.074 0.000 0.956 1245 T CA -0.359 61.797 62.100 0.093 0.000 0.987 1245 T CB 0.581 69.483 68.868 0.057 0.000 0.920 1245 T HN 0.331 nan 8.240 nan 0.000 0.470 1246 R N 2.233 122.768 120.500 0.057 0.000 2.504 1246 R HA 0.204 4.544 4.340 -0.000 0.000 0.291 1246 R C 0.117 176.404 176.300 -0.021 0.000 0.974 1246 R CA 0.035 56.136 56.100 0.001 0.000 1.077 1246 R CB -0.095 30.180 30.300 -0.043 0.000 0.926 1246 R HN 0.596 nan 8.270 nan 0.000 0.407 1247 V N 2.499 122.390 119.914 -0.040 0.000 2.220 1247 V HA 0.452 4.572 4.120 -0.000 0.000 0.265 1247 V C 0.941 176.937 176.094 -0.163 0.000 1.078 1247 V CA 0.534 62.795 62.300 -0.064 0.000 0.872 1247 V CB 0.518 32.346 31.823 0.008 0.000 1.121 1247 V HN 0.983 nan 8.190 nan 0.000 0.460 1248 G N 3.273 111.969 108.800 -0.172 0.000 2.509 1248 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.256 1248 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.256 1248 G C 0.890 175.658 174.900 -0.220 0.000 1.152 1248 G CA 0.836 45.810 45.100 -0.210 0.000 0.951 1248 G HN 2.117 nan 8.290 nan 0.000 0.559 1249 S N -0.191 115.339 115.700 -0.284 0.000 2.601 1249 S HA 0.526 4.996 4.470 -0.000 0.000 0.244 1249 S C 1.647 175.853 174.600 -0.658 0.000 1.001 1249 S CA 0.618 58.589 58.200 -0.382 0.000 0.984 1249 S CB 0.245 63.234 63.200 -0.352 0.000 0.842 1249 S HN 0.711 nan 8.310 nan 0.000 0.474 1250 L N 1.816 122.764 121.223 -0.458 0.000 2.610 1250 L HA 0.315 4.655 4.340 -0.000 0.000 0.232 1250 L C 1.548 178.273 176.870 -0.242 0.000 1.149 1250 L CA 0.516 55.101 54.840 -0.425 0.000 0.872 1250 L CB -0.978 41.045 42.059 -0.060 0.000 0.992 1250 L HN 0.747 nan 8.230 nan 0.000 0.447 1251 G N -1.043 107.624 108.800 -0.222 0.000 2.587 1251 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.212 1251 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.212 1251 G C -0.922 173.979 174.900 0.001 0.000 1.327 1251 G CA -0.400 44.661 45.100 -0.065 0.000 0.898 1251 G HN 0.102 nan 8.290 nan 0.000 0.551 1252 W N -0.589 120.749 121.300 0.063 0.000 2.365 1252 W HA 0.758 5.418 4.660 -0.000 0.000 0.410 1252 W C 0.594 177.165 176.519 0.087 0.000 1.634 1252 W CA -0.180 57.215 57.345 0.083 0.000 1.761 1252 W CB 0.663 30.209 29.460 0.144 0.000 1.485 1252 W HN 1.263 nan 8.180 nan 0.000 0.706 1253 A N 0.988 123.855 122.820 0.079 0.000 2.412 1253 A HA 0.311 4.631 4.320 -0.000 0.000 0.334 1253 A C 0.617 178.236 177.584 0.060 0.000 1.419 1253 A CA -0.515 51.565 52.037 0.073 0.000 0.930 1253 A CB -0.545 18.488 19.000 0.055 0.000 1.149 1253 A HN 0.808 nan 8.150 nan 0.000 0.515 1254 N N 1.248 119.996 118.700 0.079 0.000 2.112 1254 N HA -0.227 4.513 4.740 -0.000 0.000 0.200 1254 N C 0.815 176.365 175.510 0.067 0.000 1.011 1254 N CA 2.191 55.294 53.050 0.089 0.000 0.891 1254 N CB -0.030 38.517 38.487 0.100 0.000 1.060 1254 N HN 0.724 nan 8.380 nan 0.000 0.478 1255 K N -0.458 119.938 120.400 -0.006 0.000 2.426 1255 K HA 0.713 5.033 4.320 -0.000 0.000 0.251 1255 K C -2.000 174.525 176.600 -0.125 0.000 0.941 1255 K CA -0.770 55.417 56.287 -0.167 0.000 0.808 1255 K CB 1.990 34.439 32.500 -0.084 0.000 1.265 1255 K HN 0.066 nan 8.250 nan 0.000 0.432 1256 A N 2.881 125.588 122.820 -0.189 0.000 2.589 1256 A HA 0.384 4.704 4.320 -0.000 0.000 0.296 1256 A C -1.871 175.651 177.584 -0.103 0.000 1.062 1256 A CA -0.728 51.257 52.037 -0.087 0.000 0.686 1256 A CB 1.901 20.881 19.000 -0.033 0.000 1.282 1256 A HN 0.668 nan 8.150 nan 0.000 0.404 1257 Q N 1.539 121.327 119.800 -0.019 0.000 2.341 1257 Q HA 0.412 4.752 4.340 -0.000 0.000 0.268 1257 Q C -1.037 174.989 176.000 0.044 0.000 1.013 1257 Q CA -0.718 55.094 55.803 0.014 0.000 0.798 1257 Q CB 1.699 30.563 28.738 0.210 0.000 1.253 1257 Q HN 0.718 nan 8.270 nan 0.000 0.457 1258 N N 2.594 121.242 118.700 -0.086 0.000 2.400 1258 N HA 0.432 5.172 4.740 -0.000 0.000 0.288 1258 N C -1.427 174.143 175.510 0.100 0.000 1.024 1258 N CA -0.279 52.777 53.050 0.011 0.000 0.894 1258 N CB 1.458 39.938 38.487 -0.012 0.000 1.173 1258 N HN 0.385 nan 8.380 nan 0.000 0.487 1259 F N 0.830 120.863 119.950 0.139 0.000 2.551 1259 F HA 0.418 4.945 4.527 -0.000 0.000 0.316 1259 F C -0.735 175.140 175.800 0.125 0.000 1.089 1259 F CA -0.733 57.414 58.000 0.245 0.000 0.915 1259 F CB 1.534 40.726 39.000 0.321 0.000 1.186 1259 F HN 0.379 nan 8.300 nan 0.000 0.456 1260 E N 4.182 123.775 120.200 -1.012 0.000 2.349 1260 E HA 0.619 4.969 4.350 -0.000 0.000 0.290 1260 E C -1.693 174.564 176.600 -0.571 0.000 0.901 1260 E CA -0.796 55.251 56.400 -0.588 0.000 0.800 1260 E CB 1.765 31.318 29.700 -0.245 0.000 1.303 1260 E HN 0.687 nan 8.360 nan 0.000 0.397 1261 A N 2.294 124.931 122.820 -0.306 0.000 2.414 1261 A HA 0.789 5.109 4.320 -0.000 0.000 0.306 1261 A C -1.107 176.501 177.584 0.039 0.000 1.054 1261 A CA -0.578 51.407 52.037 -0.086 0.000 0.724 1261 A CB 1.677 20.722 19.000 0.075 0.000 1.267 1261 A HN 0.312 nan 8.150 nan 0.000 0.418 1262 V N 0.668 120.631 119.914 0.081 0.000 2.823 1262 V HA 0.843 4.963 4.120 -0.000 0.000 0.312 1262 V C -0.102 176.082 176.094 0.150 0.000 1.072 1262 V CA 0.008 62.382 62.300 0.124 0.000 0.937 1262 V CB 2.028 33.945 31.823 0.156 0.000 1.013 1262 V HN 1.547 nan 8.190 nan 0.000 0.430 1263 A N 4.483 127.389 122.820 0.143 0.000 2.385 1263 A HA 0.850 5.169 4.320 -0.000 0.000 0.290 1263 A C -0.920 176.750 177.584 0.143 0.000 1.094 1263 A CA -0.536 51.584 52.037 0.140 0.000 0.729 1263 A CB 1.352 20.414 19.000 0.103 0.000 1.194 1263 A HN 0.768 nan 8.150 nan 0.000 0.442 1264 Q N 0.400 120.302 119.800 0.170 0.000 2.421 1264 Q HA 0.582 4.922 4.340 -0.000 0.000 0.280 1264 Q C -1.921 174.148 176.000 0.115 0.000 1.085 1264 Q CA -0.697 55.182 55.803 0.126 0.000 0.807 1264 Q CB 3.008 31.790 28.738 0.073 0.000 1.405 1264 Q HN 0.732 nan 8.270 nan 0.000 0.419 1265 Y N 0.982 121.228 120.300 -0.090 0.000 2.406 1265 Y HA 0.307 4.856 4.550 -0.000 0.000 0.340 1265 Y C -1.189 174.512 175.900 -0.332 0.000 0.975 1265 Y CA -0.724 57.239 58.100 -0.230 0.000 1.056 1265 Y CB 2.063 40.307 38.460 -0.361 0.000 1.210 1265 Y HN 0.555 nan 8.280 nan 0.000 0.448 1266 Q N 5.565 124.910 119.800 -0.758 0.000 2.431 1266 Q HA 0.380 4.720 4.340 -0.000 0.000 0.249 1266 Q C -1.978 173.776 176.000 -0.410 0.000 1.025 1266 Q CA -0.220 55.320 55.803 -0.438 0.000 0.835 1266 Q CB 0.117 28.643 28.738 -0.353 0.000 1.207 1266 Q HN 0.539 nan 8.270 nan 0.000 0.490 1267 F N 2.496 122.402 119.950 -0.073 0.000 2.418 1267 F HA 0.101 4.628 4.527 -0.000 0.000 0.341 1267 F C 1.424 177.141 175.800 -0.137 0.000 1.120 1267 F CA -0.072 57.901 58.000 -0.044 0.000 1.232 1267 F CB 0.832 39.624 39.000 -0.347 0.000 1.175 1267 F HN 0.668 nan 8.300 nan 0.000 0.569 1268 D N 2.252 122.817 120.400 0.275 0.000 2.191 1268 D HA -0.316 4.324 4.640 -0.000 0.000 0.195 1268 D C 1.669 178.085 176.300 0.192 0.000 1.003 1268 D CA 2.048 56.172 54.000 0.206 0.000 0.867 1268 D CB -0.793 40.183 40.800 0.294 0.000 0.926 1268 D HN 0.587 nan 8.370 nan 0.000 0.450 1269 F N -1.346 118.714 119.950 0.182 0.000 2.698 1269 F HA 0.556 5.083 4.527 -0.000 0.000 0.295 1269 F C 1.728 177.581 175.800 0.088 0.000 1.124 1269 F CA 0.264 58.341 58.000 0.128 0.000 1.426 1269 F CB 0.459 39.534 39.000 0.125 0.000 1.120 1269 F HN 0.146 nan 8.300 nan 0.000 0.583 1270 G N 0.578 109.117 108.800 -0.435 0.000 2.977 1270 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.211 1270 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.211 1270 G C -0.538 174.141 174.900 -0.367 0.000 0.994 1270 G CA -0.151 44.697 45.100 -0.419 0.000 0.795 1270 G HN 0.377 nan 8.290 nan 0.000 0.518 1271 L N 1.437 122.444 121.223 -0.359 0.000 2.399 1271 L HA 0.912 5.252 4.340 -0.000 0.000 0.266 1271 L C 0.325 177.247 176.870 0.087 0.000 1.114 1271 L CA -0.668 54.162 54.840 -0.016 0.000 0.804 1271 L CB 1.208 43.297 42.059 0.049 0.000 1.146 1271 L HN 0.267 nan 8.230 nan 0.000 0.451 1272 R N 4.303 124.870 120.500 0.112 0.000 2.921 1272 R HA 0.468 4.807 4.340 -0.000 0.000 0.269 1272 R C -2.893 173.474 176.300 0.112 0.000 1.696 1272 R CA -1.256 54.904 56.100 0.100 0.000 1.161 1272 R CB 1.155 31.504 30.300 0.081 0.000 1.337 1272 R HN 0.413 nan 8.270 nan 0.000 0.496 1273 P HA 0.166 nan 4.420 nan 0.000 0.275 1273 P C -1.055 176.315 177.300 0.117 0.000 1.228 1273 P CA -0.237 62.954 63.100 0.152 0.000 0.786 1273 P CB 1.608 33.424 31.700 0.193 0.000 0.927 1274 S N 2.664 118.434 115.700 0.116 0.000 2.569 1274 S HA 0.765 5.235 4.470 -0.000 0.000 0.280 1274 S C -1.402 173.271 174.600 0.122 0.000 1.111 1274 S CA -0.730 57.534 58.200 0.107 0.000 0.887 1274 S CB 1.174 64.422 63.200 0.081 0.000 1.095 1274 S HN 0.451 nan 8.310 nan 0.000 0.476 1275 L N 1.854 123.148 121.223 0.118 0.000 2.455 1275 L HA 0.882 5.222 4.340 -0.000 0.000 0.264 1275 L C -1.361 175.580 176.870 0.118 0.000 0.968 1275 L CA -0.302 54.610 54.840 0.120 0.000 0.827 1275 L CB 1.451 43.576 42.059 0.110 0.000 1.317 1275 L HN 1.284 nan 8.230 nan 0.000 0.407 1276 A N 3.936 126.829 122.820 0.122 0.000 2.594 1276 A HA 0.632 4.952 4.320 -0.000 0.000 0.296 1276 A C -2.580 175.072 177.584 0.113 0.000 1.061 1276 A CA -0.440 51.659 52.037 0.104 0.000 0.689 1276 A CB 1.584 20.627 19.000 0.071 0.000 1.280 1276 A HN 0.748 nan 8.150 nan 0.000 0.406 1277 Y N 1.950 122.222 120.300 -0.046 0.000 2.499 1277 Y HA 0.811 5.361 4.550 -0.000 0.000 0.347 1277 Y C -1.319 174.470 175.900 -0.185 0.000 0.987 1277 Y CA -0.997 57.053 58.100 -0.083 0.000 1.044 1277 Y CB 1.567 40.057 38.460 0.051 0.000 1.245 1277 Y HN 0.720 nan 8.280 nan 0.000 0.461 1278 L N 5.164 125.710 121.223 -1.129 0.000 2.506 1278 L HA 0.539 4.879 4.340 -0.000 0.000 0.257 1278 L C -1.523 174.790 176.870 -0.928 0.000 0.964 1278 L CA -0.905 53.434 54.840 -0.835 0.000 0.836 1278 L CB 2.060 43.672 42.059 -0.744 0.000 1.384 1278 L HN 0.864 nan 8.230 nan 0.000 0.410 1279 Q N 0.775 120.350 119.800 -0.374 0.000 2.575 1279 Q HA 0.667 5.007 4.340 -0.000 0.000 0.290 1279 Q C -1.862 174.135 176.000 -0.004 0.000 0.963 1279 Q CA -0.712 54.974 55.803 -0.195 0.000 0.783 1279 Q CB 2.464 31.151 28.738 -0.084 0.000 1.467 1279 Q HN 0.525 nan 8.270 nan 0.000 0.402 1280 S N 0.754 116.467 115.700 0.021 0.000 2.733 1280 S HA 0.465 4.935 4.470 -0.000 0.000 0.294 1280 S C -1.539 173.097 174.600 0.059 0.000 1.149 1280 S CA -0.616 57.613 58.200 0.049 0.000 1.034 1280 S CB 1.065 64.286 63.200 0.035 0.000 1.015 1280 S HN 0.451 nan 8.310 nan 0.000 0.486 1281 K N 3.469 123.908 120.400 0.065 0.000 2.316 1281 K HA 0.436 4.756 4.320 -0.000 0.000 0.267 1281 K C 0.187 176.802 176.600 0.026 0.000 1.025 1281 K CA -0.461 55.856 56.287 0.051 0.000 0.896 1281 K CB 0.917 33.461 32.500 0.074 0.000 1.124 1281 K HN 0.824 nan 8.250 nan 0.000 0.451 1282 G N 4.063 112.869 108.800 0.009 0.000 2.364 1282 G HA2 0.186 4.146 3.960 -0.000 0.000 0.267 1282 G HA3 0.186 4.146 3.960 -0.000 0.000 0.267 1282 G C -0.187 174.708 174.900 -0.009 0.000 1.233 1282 G CA -0.279 44.824 45.100 0.005 0.000 0.885 1282 G HN 0.306 nan 8.290 nan 0.000 0.490 1283 K N 1.245 121.645 120.400 -0.000 0.000 2.139 1283 K HA 0.260 4.580 4.320 -0.000 0.000 0.243 1283 K C 0.636 177.251 176.600 0.024 0.000 0.983 1283 K CA -1.434 54.858 56.287 0.007 0.000 0.890 1283 K CB 0.836 33.342 32.500 0.009 0.000 1.090 1283 K HN 0.541 nan 8.250 nan 0.000 0.445 1284 N N 1.306 120.025 118.700 0.031 0.000 2.770 1284 N HA -0.223 4.517 4.740 -0.000 0.000 0.283 1284 N C -0.713 174.839 175.510 0.071 0.000 1.009 1284 N CA 0.416 53.495 53.050 0.049 0.000 0.828 1284 N CB -0.886 37.634 38.487 0.055 0.000 0.939 1284 N HN 0.431 nan 8.380 nan 0.000 0.580 1285 L N -0.168 121.107 121.223 0.086 0.000 2.490 1285 L HA 0.431 4.771 4.340 -0.000 0.000 0.245 1285 L C 1.968 178.937 176.870 0.164 0.000 1.185 1285 L CA -0.364 54.559 54.840 0.140 0.000 0.813 1285 L CB 0.034 42.209 42.059 0.193 0.000 1.233 1285 L HN 0.396 nan 8.230 nan 0.000 0.489 1286 G N -0.870 108.053 108.800 0.205 0.000 2.583 1286 G HA2 0.111 4.071 3.960 -0.000 0.000 0.275 1286 G HA3 0.111 4.071 3.960 -0.000 0.000 0.275 1286 G C 0.233 175.233 174.900 0.166 0.000 1.342 1286 G CA -0.344 44.862 45.100 0.177 0.000 1.030 1286 G HN 0.731 nan 8.290 nan 0.000 0.520 1287 R N -0.773 119.757 120.500 0.051 0.000 3.336 1287 R HA -0.199 4.141 4.340 -0.000 0.000 0.260 1287 R C 1.052 177.152 176.300 -0.333 0.000 1.032 1287 R CA 1.577 57.633 56.100 -0.073 0.000 0.693 1287 R CB -1.581 28.736 30.300 0.028 0.000 1.134 1287 R HN 2.595 nan 8.270 nan 0.000 0.433 1288 G N -0.475 108.211 108.800 -0.190 0.000 2.509 1288 G HA2 -0.440 3.520 3.960 -0.000 0.000 0.256 1288 G HA3 -0.440 3.520 3.960 -0.000 0.000 0.256 1288 G C 0.328 175.175 174.900 -0.089 0.000 1.152 1288 G CA 0.859 45.840 45.100 -0.198 0.000 0.951 1288 G HN 0.520 nan 8.290 nan 0.000 0.559 1289 Y N -0.625 119.695 120.300 0.033 0.000 2.736 1289 Y HA -0.242 4.308 4.550 -0.000 0.000 0.479 1289 Y C 1.918 177.753 175.900 -0.108 0.000 1.110 1289 Y CA 2.865 60.951 58.100 -0.023 0.000 2.900 1289 Y CB -1.977 36.518 38.460 0.059 0.000 1.048 1289 Y HN 1.842 nan 8.280 nan 0.000 0.588 1290 D N -2.146 118.323 120.400 0.114 0.000 4.746 1290 D HA -0.150 4.490 4.640 -0.000 0.000 0.134 1290 D C -0.685 175.610 176.300 -0.008 0.000 0.726 1290 D CA 1.326 55.346 54.000 0.034 0.000 0.998 1290 D CB -1.424 39.381 40.800 0.009 0.000 0.635 1290 D HN 0.379 nan 8.370 nan 0.000 0.597 1291 D N 1.347 121.725 120.400 -0.037 0.000 2.210 1291 D HA 0.656 5.296 4.640 -0.000 0.000 0.249 1291 D C -0.379 175.838 176.300 -0.139 0.000 1.062 1291 D CA 0.434 54.400 54.000 -0.057 0.000 0.891 1291 D CB 1.563 42.348 40.800 -0.025 0.000 1.186 1291 D HN 0.306 nan 8.370 nan 0.000 0.432 1292 E N 0.516 120.608 120.200 -0.180 0.000 2.478 1292 E HA 0.154 4.504 4.350 -0.000 0.000 0.293 1292 E C -1.927 174.565 176.600 -0.181 0.000 1.011 1292 E CA -0.576 55.632 56.400 -0.321 0.000 0.834 1292 E CB 1.019 30.187 29.700 -0.887 0.000 1.226 1292 E HN 0.033 nan 8.360 nan 0.000 0.419 1293 D N 4.029 124.379 120.400 -0.083 0.000 2.343 1293 D HA 0.225 4.865 4.640 -0.000 0.000 0.255 1293 D C 1.006 177.387 176.300 0.136 0.000 1.187 1293 D CA 0.142 54.161 54.000 0.031 0.000 0.875 1293 D CB 0.827 41.655 40.800 0.046 0.000 1.136 1293 D HN 0.464 nan 8.370 nan 0.000 0.469 1294 I N 1.734 122.382 120.570 0.131 0.000 2.703 1294 I HA 0.049 4.219 4.170 -0.000 0.000 0.259 1294 I C 0.652 176.821 176.117 0.086 0.000 1.151 1294 I CA 0.432 61.822 61.300 0.150 0.000 1.470 1294 I CB 0.160 38.218 38.000 0.097 0.000 1.112 1294 I HN 0.175 nan 8.210 nan 0.000 0.437 1295 L N 0.377 121.642 121.223 0.070 0.000 2.612 1295 L HA 0.437 4.777 4.340 -0.000 0.000 0.256 1295 L C -1.339 175.551 176.870 0.033 0.000 0.949 1295 L CA -0.463 54.417 54.840 0.067 0.000 0.867 1295 L CB 1.933 44.029 42.059 0.062 0.000 1.417 1295 L HN 0.005 nan 8.230 nan 0.000 0.414 1296 K N 3.471 123.901 120.400 0.050 0.000 2.579 1296 K HA 0.546 4.866 4.320 -0.000 0.000 0.283 1296 K C -2.291 174.323 176.600 0.023 0.000 1.069 1296 K CA -0.518 55.742 56.287 -0.044 0.000 0.977 1296 K CB 0.844 33.372 32.500 0.048 0.000 1.334 1296 K HN 0.617 nan 8.250 nan 0.000 0.462 1297 Y N -0.110 120.016 120.300 -0.289 0.000 2.521 1297 Y HA 0.557 5.107 4.550 -0.000 0.000 0.326 1297 Y C -1.929 173.873 175.900 -0.163 0.000 1.176 1297 Y CA -1.294 56.691 58.100 -0.193 0.000 1.079 1297 Y CB 0.983 39.323 38.460 -0.200 0.000 1.341 1297 Y HN 0.013 nan 8.280 nan 0.000 0.456 1298 V N 3.702 123.694 119.914 0.129 0.000 2.407 1298 V HA 0.233 4.352 4.120 -0.000 0.000 0.278 1298 V C -0.452 175.724 176.094 0.138 0.000 1.037 1298 V CA -0.293 62.086 62.300 0.130 0.000 0.900 1298 V CB 1.302 33.210 31.823 0.142 0.000 0.983 1298 V HN 0.846 nan 8.190 nan 0.000 0.459 1299 D N 3.897 124.383 120.400 0.144 0.000 2.225 1299 D HA 0.483 5.123 4.640 -0.000 0.000 0.248 1299 D C -1.099 175.288 176.300 0.145 0.000 1.096 1299 D CA -0.004 54.115 54.000 0.198 0.000 0.863 1299 D CB 2.006 43.001 40.800 0.324 0.000 1.156 1299 D HN 0.272 nan 8.370 nan 0.000 0.450 1300 V N 2.249 122.252 119.914 0.147 0.000 2.760 1300 V HA 0.847 4.967 4.120 -0.000 0.000 0.309 1300 V C 0.433 176.680 176.094 0.254 0.000 1.077 1300 V CA -0.367 62.044 62.300 0.185 0.000 0.910 1300 V CB 1.777 33.717 31.823 0.195 0.000 1.008 1300 V HN 0.795 nan 8.190 nan 0.000 0.424 1301 G N 2.670 111.598 108.800 0.214 0.000 2.368 1301 G HA2 0.847 4.807 3.960 -0.000 0.000 0.293 1301 G HA3 0.847 4.807 3.960 -0.000 0.000 0.293 1301 G C -1.548 173.451 174.900 0.165 0.000 1.467 1301 G CA 0.166 45.395 45.100 0.215 0.000 0.804 1301 G HN 1.444 nan 8.290 nan 0.000 0.535 1302 A N -0.688 122.226 122.820 0.157 0.000 2.594 1302 A HA 0.969 5.289 4.320 -0.000 0.000 0.296 1302 A C -0.394 177.262 177.584 0.121 0.000 1.061 1302 A CA 0.321 52.434 52.037 0.127 0.000 0.689 1302 A CB 1.649 20.726 19.000 0.128 0.000 1.280 1302 A HN 2.177 nan 8.150 nan 0.000 0.406 1303 T N -0.739 113.851 114.554 0.060 0.000 2.924 1303 T HA 0.695 5.045 4.350 -0.000 0.000 0.291 1303 T C -1.530 173.073 174.700 -0.162 0.000 1.045 1303 T CA -0.451 61.633 62.100 -0.026 0.000 1.015 1303 T CB 1.499 70.309 68.868 -0.096 0.000 1.103 1303 T HN 1.494 nan 8.240 nan 0.000 0.496 1304 Y N 2.867 122.884 120.300 -0.471 0.000 2.327 1304 Y HA 0.557 5.107 4.550 -0.000 0.000 0.325 1304 Y C -1.937 173.484 175.900 -0.799 0.000 0.999 1304 Y CA -1.503 56.281 58.100 -0.527 0.000 1.195 1304 Y CB 0.910 39.104 38.460 -0.444 0.000 1.132 1304 Y HN 0.709 nan 8.280 nan 0.000 0.455 1305 Y N 7.295 127.077 120.300 -0.863 0.000 2.452 1305 Y HA 0.188 4.738 4.550 -0.000 0.000 0.348 1305 Y C 0.585 175.964 175.900 -0.869 0.000 0.985 1305 Y CA -0.378 57.313 58.100 -0.681 0.000 1.214 1305 Y CB 0.097 38.349 38.460 -0.346 0.000 1.136 1305 Y HN 0.664 nan 8.280 nan 0.000 0.523 1306 F N 1.117 120.939 119.950 -0.214 0.000 2.095 1306 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 1306 F C 0.862 176.658 175.800 -0.006 0.000 1.104 1306 F CA 1.302 59.289 58.000 -0.022 0.000 1.232 1306 F CB -0.352 38.724 39.000 0.125 0.000 0.987 1306 F HN 0.576 nan 8.300 nan 0.000 0.475 1307 N N -1.171 117.642 118.700 0.188 0.000 3.449 1307 N HA 0.154 4.894 4.740 -0.000 0.000 0.312 1307 N C -1.016 174.533 175.510 0.065 0.000 1.557 1307 N CA -1.072 52.033 53.050 0.093 0.000 0.864 1307 N CB 0.181 38.728 38.487 0.100 0.000 1.799 1307 N HN -0.084 nan 8.380 nan 0.000 0.554 1308 K N -1.017 119.380 120.400 -0.004 0.000 3.277 1308 K HA 0.440 4.760 4.320 -0.000 0.000 0.280 1308 K C -0.261 176.311 176.600 -0.047 0.000 1.182 1308 K CA 0.172 56.423 56.287 -0.060 0.000 1.219 1308 K CB -0.544 31.890 32.500 -0.110 0.000 1.373 1308 K HN 0.487 nan 8.250 nan 0.000 0.392 1309 N N -0.359 118.335 118.700 -0.011 0.000 1.842 1309 N HA 0.153 4.893 4.740 -0.000 0.000 0.226 1309 N C -1.414 174.023 175.510 -0.121 0.000 1.431 1309 N CA 0.048 53.038 53.050 -0.099 0.000 0.722 1309 N CB 0.565 39.020 38.487 -0.055 0.000 1.040 1309 N HN 0.447 nan 8.380 nan 0.000 0.534 1310 M N 0.435 120.088 119.600 0.088 0.000 2.569 1310 M HA 0.483 4.963 4.480 -0.000 0.000 0.287 1310 M C -1.997 174.555 176.300 0.420 0.000 1.130 1310 M CA -0.037 55.402 55.300 0.231 0.000 0.885 1310 M CB 1.631 34.399 32.600 0.281 0.000 1.759 1310 M HN 0.125 nan 8.290 nan 0.000 0.515 1311 S N 0.390 116.379 115.700 0.483 0.000 2.688 1311 S HA 0.826 5.296 4.470 -0.000 0.000 0.269 1311 S C -1.327 173.483 174.600 0.350 0.000 1.060 1311 S CA -0.603 57.818 58.200 0.369 0.000 0.844 1311 S CB 1.108 64.296 63.200 -0.019 0.000 1.095 1311 S HN 0.979 nan 8.310 nan 0.000 0.466 1312 T N 0.613 115.278 114.554 0.186 0.000 2.907 1312 T HA 0.866 5.216 4.350 -0.000 0.000 0.292 1312 T C -1.175 173.566 174.700 0.068 0.000 1.043 1312 T CA -0.781 61.387 62.100 0.114 0.000 1.003 1312 T CB 1.176 70.140 68.868 0.161 0.000 1.084 1312 T HN 1.343 nan 8.240 nan 0.000 0.483 1313 Y N -1.613 118.708 120.300 0.034 0.000 2.597 1313 Y HA 0.812 5.362 4.550 -0.000 0.000 0.340 1313 Y C -1.664 174.272 175.900 0.059 0.000 1.097 1313 Y CA -1.644 56.462 58.100 0.011 0.000 1.037 1313 Y CB 0.944 39.394 38.460 -0.016 0.000 1.305 1313 Y HN 0.497 nan 8.280 nan 0.000 0.463 1314 V N 1.841 121.886 119.914 0.218 0.000 2.588 1314 V HA 0.575 4.695 4.120 -0.000 0.000 0.304 1314 V C -1.324 174.931 176.094 0.268 0.000 1.042 1314 V CA -0.428 61.986 62.300 0.189 0.000 0.877 1314 V CB 1.597 33.496 31.823 0.127 0.000 0.996 1314 V HN 0.847 nan 8.190 nan 0.000 0.425 1315 D N 1.812 122.395 120.400 0.305 0.000 2.756 1315 D HA 0.521 5.161 4.640 -0.000 0.000 0.226 1315 D C -1.987 174.643 176.300 0.550 0.000 1.186 1315 D CA -0.278 53.943 54.000 0.369 0.000 0.845 1315 D CB 2.486 43.393 40.800 0.179 0.000 1.610 1315 D HN 0.484 nan 8.370 nan 0.000 0.465 1316 Y N 2.259 122.753 120.300 0.322 0.000 2.344 1316 Y HA 0.279 4.829 4.550 -0.000 0.000 0.328 1316 Y C -1.183 174.756 175.900 0.065 0.000 1.067 1316 Y CA -1.058 57.145 58.100 0.172 0.000 1.247 1316 Y CB 0.930 39.464 38.460 0.123 0.000 1.113 1316 Y HN 0.244 nan 8.280 nan 0.000 0.465 1317 K N 7.349 127.562 120.400 -0.312 0.000 2.273 1317 K HA 0.455 4.775 4.320 -0.000 0.000 0.287 1317 K C -1.069 175.195 176.600 -0.560 0.000 1.089 1317 K CA -0.182 55.772 56.287 -0.555 0.000 0.909 1317 K CB 0.142 32.000 32.500 -1.072 0.000 1.123 1317 K HN 0.738 nan 8.250 nan 0.000 0.473 1318 I N 4.458 124.717 120.570 -0.519 0.000 2.308 1318 I HA 0.027 4.197 4.170 -0.000 0.000 0.293 1318 I C 0.066 176.093 176.117 -0.149 0.000 1.078 1318 I CA -0.586 60.465 61.300 -0.415 0.000 1.292 1318 I CB 0.439 38.227 38.000 -0.354 0.000 1.423 1318 I HN 0.627 nan 8.210 nan 0.000 0.493 1319 N N 7.655 126.276 118.700 -0.133 0.000 2.462 1319 N HA 0.198 4.938 4.740 -0.000 0.000 0.242 1319 N C 0.304 175.814 175.510 -0.001 0.000 1.010 1319 N CA -0.173 52.827 53.050 -0.083 0.000 0.939 1319 N CB 0.985 39.378 38.487 -0.156 0.000 1.127 1319 N HN 0.584 nan 8.380 nan 0.000 0.509 1320 L N 3.091 124.349 121.223 0.059 0.000 2.675 1320 L HA 0.155 4.495 4.340 -0.000 0.000 0.239 1320 L C 0.375 177.281 176.870 0.060 0.000 1.151 1320 L CA 0.166 55.045 54.840 0.066 0.000 0.905 1320 L CB -0.174 41.951 42.059 0.110 0.000 1.057 1320 L HN 0.394 nan 8.230 nan 0.000 0.435 1321 L N -0.264 120.987 121.223 0.047 0.000 2.375 1321 L HA 0.225 4.565 4.340 -0.000 0.000 0.271 1321 L C -0.156 176.742 176.870 0.046 0.000 1.107 1321 L CA -0.666 54.205 54.840 0.053 0.000 0.806 1321 L CB 0.808 42.899 42.059 0.053 0.000 1.146 1321 L HN 0.007 nan 8.230 nan 0.000 0.447 1322 D N 1.458 121.891 120.400 0.055 0.000 2.304 1322 D HA 0.073 4.713 4.640 -0.000 0.000 0.250 1322 D C -0.391 175.947 176.300 0.064 0.000 1.107 1322 D CA -0.400 53.632 54.000 0.052 0.000 0.885 1322 D CB 0.863 41.695 40.800 0.053 0.000 1.192 1322 D HN 0.341 nan 8.370 nan 0.000 0.436 1323 D N 2.050 122.480 120.400 0.050 0.000 2.752 1323 D HA -0.064 4.576 4.640 -0.000 0.000 0.225 1323 D C 0.233 176.582 176.300 0.081 0.000 1.104 1323 D CA 0.979 55.013 54.000 0.056 0.000 0.832 1323 D CB 0.214 41.039 40.800 0.043 0.000 1.161 1323 D HN 0.438 nan 8.370 nan 0.000 0.505 1324 N N 0.047 118.811 118.700 0.107 0.000 3.046 1324 N HA 0.168 4.908 4.740 -0.000 0.000 0.243 1324 N C 0.526 176.141 175.510 0.174 0.000 1.452 1324 N CA -0.632 52.502 53.050 0.140 0.000 0.882 1324 N CB 0.468 39.063 38.487 0.179 0.000 1.425 1324 N HN 0.243 nan 8.380 nan 0.000 0.517 1325 Q N -0.006 119.911 119.800 0.194 0.000 2.515 1325 Q HA -0.094 4.246 4.340 -0.000 0.000 0.215 1325 Q C 1.254 177.418 176.000 0.274 0.000 0.983 1325 Q CA 1.413 57.330 55.803 0.191 0.000 0.905 1325 Q CB -0.830 28.003 28.738 0.159 0.000 0.961 1325 Q HN 0.558 nan 8.270 nan 0.000 0.503 1326 F N 1.673 121.716 119.950 0.153 0.000 2.025 1326 F HA -0.141 4.386 4.527 -0.000 0.000 0.291 1326 F C 2.669 178.419 175.800 -0.083 0.000 1.150 1326 F CA 2.809 60.815 58.000 0.009 0.000 1.166 1326 F CB -0.684 38.289 39.000 -0.046 0.000 0.995 1326 F HN 0.360 nan 8.300 nan 0.000 0.474 1327 T N -0.514 113.978 114.554 -0.103 0.000 2.529 1327 T HA -0.333 4.017 4.350 -0.000 0.000 0.261 1327 T C 2.110 176.676 174.700 -0.224 0.000 1.110 1327 T CA 1.694 63.660 62.100 -0.224 0.000 1.192 1327 T CB -1.041 67.829 68.868 0.004 0.000 0.864 1327 T HN 0.320 nan 8.240 nan 0.000 0.407 1328 R N 1.474 121.926 120.500 -0.080 0.000 2.293 1328 R HA -0.290 4.050 4.340 -0.000 0.000 0.245 1328 R C 2.186 178.447 176.300 -0.064 0.000 1.105 1328 R CA 2.723 58.797 56.100 -0.044 0.000 0.916 1328 R CB -0.995 29.314 30.300 0.014 0.000 0.963 1328 R HN 0.526 nan 8.270 nan 0.000 0.429 1329 D N -0.797 119.569 120.400 -0.056 0.000 2.137 1329 D HA -0.226 4.414 4.640 -0.000 0.000 0.189 1329 D C 1.726 177.980 176.300 -0.076 0.000 0.998 1329 D CA 2.061 56.054 54.000 -0.011 0.000 0.839 1329 D CB -0.611 40.236 40.800 0.077 0.000 0.962 1329 D HN 0.526 nan 8.370 nan 0.000 0.446 1330 A N -0.085 122.556 122.820 -0.299 0.000 2.076 1330 A HA 0.151 4.471 4.320 -0.000 0.000 0.220 1330 A C 1.647 179.109 177.584 -0.203 0.000 1.160 1330 A CA 1.734 53.586 52.037 -0.308 0.000 0.653 1330 A CB -0.653 18.027 19.000 -0.534 0.000 0.801 1330 A HN 0.451 nan 8.150 nan 0.000 0.455 1331 G N -0.862 107.842 108.800 -0.160 0.000 2.353 1331 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.294 1331 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.294 1331 G C -0.174 174.647 174.900 -0.131 0.000 1.077 1331 G CA 0.274 45.308 45.100 -0.111 0.000 1.098 1331 G HN 0.495 nan 8.290 nan 0.000 0.511 1332 I N 0.487 120.967 120.570 -0.150 0.000 2.321 1332 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 1332 I C 0.699 176.763 176.117 -0.089 0.000 0.998 1332 I CA -0.954 60.270 61.300 -0.127 0.000 1.227 1332 I CB 1.226 39.141 38.000 -0.142 0.000 1.368 1332 I HN 0.335 nan 8.210 nan 0.000 0.466 1333 N N 3.934 122.582 118.700 -0.087 0.000 2.447 1333 N HA -0.049 4.691 4.740 -0.000 0.000 0.263 1333 N C 0.902 176.365 175.510 -0.079 0.000 1.226 1333 N CA 0.548 53.548 53.050 -0.082 0.000 0.906 1333 N CB 0.834 39.261 38.487 -0.100 0.000 1.060 1333 N HN 0.727 nan 8.380 nan 0.000 0.468 1334 T N -0.755 113.764 114.554 -0.058 0.000 2.978 1334 T HA 0.143 4.493 4.350 -0.000 0.000 0.248 1334 T C 0.192 174.862 174.700 -0.051 0.000 1.018 1334 T CA -0.194 61.882 62.100 -0.041 0.000 1.026 1334 T CB -0.080 68.785 68.868 -0.004 0.000 1.032 1334 T HN 0.370 nan 8.240 nan 0.000 0.485 1335 D N 2.867 123.236 120.400 -0.052 0.000 2.360 1335 D HA 0.184 4.824 4.640 -0.000 0.000 0.242 1335 D C 0.170 176.414 176.300 -0.093 0.000 1.184 1335 D CA -0.158 53.814 54.000 -0.047 0.000 0.930 1335 D CB 0.490 41.276 40.800 -0.024 0.000 1.161 1335 D HN 0.341 nan 8.370 nan 0.000 0.447 1336 N N 0.187 118.850 118.700 -0.062 0.000 2.326 1336 N HA 0.280 5.019 4.740 -0.000 0.000 0.239 1336 N C 0.040 175.498 175.510 -0.087 0.000 1.301 1336 N CA 0.239 53.235 53.050 -0.091 0.000 0.909 1336 N CB 0.869 39.383 38.487 0.046 0.000 1.156 1336 N HN 0.328 nan 8.380 nan 0.000 0.462 1337 I N -0.487 120.008 120.570 -0.125 0.000 3.006 1337 I HA 0.323 4.493 4.170 -0.000 0.000 0.306 1337 I C -0.834 175.345 176.117 0.104 0.000 1.250 1337 I CA -0.950 60.307 61.300 -0.072 0.000 0.996 1337 I CB 2.319 40.128 38.000 -0.319 0.000 1.261 1337 I HN 0.010 nan 8.210 nan 0.000 0.442 1338 V N 2.267 122.317 119.914 0.226 0.000 2.680 1338 V HA 0.835 4.955 4.120 -0.000 0.000 0.309 1338 V C -0.307 175.997 176.094 0.349 0.000 1.052 1338 V CA -0.570 61.935 62.300 0.342 0.000 0.908 1338 V CB 1.834 33.815 31.823 0.264 0.000 1.001 1338 V HN 0.830 nan 8.190 nan 0.000 0.431 1339 A N 4.633 127.666 122.820 0.354 0.000 2.342 1339 A HA 0.894 5.214 4.320 -0.000 0.000 0.323 1339 A C -1.145 176.629 177.584 0.316 0.000 1.125 1339 A CA -0.512 51.707 52.037 0.303 0.000 0.785 1339 A CB 1.127 20.186 19.000 0.098 0.000 1.221 1339 A HN 0.804 nan 8.150 nan 0.000 0.463 1340 L N 2.305 123.712 121.223 0.308 0.000 2.356 1340 L HA 0.752 5.092 4.340 -0.000 0.000 0.277 1340 L C 0.195 177.001 176.870 -0.107 0.000 0.996 1340 L CA -0.287 54.625 54.840 0.119 0.000 0.822 1340 L CB 2.077 44.307 42.059 0.284 0.000 1.256 1340 L HN 0.890 nan 8.230 nan 0.000 0.413 1341 G N 3.803 112.226 108.800 -0.628 0.000 2.667 1341 G HA2 0.594 4.554 3.960 -0.000 0.000 0.298 1341 G HA3 0.594 4.554 3.960 -0.000 0.000 0.298 1341 G C -2.322 172.260 174.900 -0.531 0.000 1.377 1341 G CA -0.438 44.181 45.100 -0.802 0.000 0.964 1341 G HN 0.302 nan 8.290 nan 0.000 0.493 1342 L N 2.051 123.182 121.223 -0.154 0.000 2.349 1342 L HA 0.803 5.143 4.340 -0.000 0.000 0.278 1342 L C -0.814 176.124 176.870 0.113 0.000 0.996 1342 L CA -1.025 53.828 54.840 0.020 0.000 0.825 1342 L CB 1.633 43.718 42.059 0.043 0.000 1.243 1342 L HN 0.347 nan 8.230 nan 0.000 0.412 1343 V N 4.992 125.027 119.914 0.201 0.000 2.823 1343 V HA 0.477 4.597 4.120 -0.000 0.000 0.312 1343 V C -1.408 174.827 176.094 0.235 0.000 1.072 1343 V CA -0.815 61.609 62.300 0.206 0.000 0.937 1343 V CB 1.940 33.902 31.823 0.232 0.000 1.013 1343 V HN 0.670 nan 8.190 nan 0.000 0.430 1344 Y N 4.214 124.573 120.300 0.099 0.000 2.338 1344 Y HA 0.645 5.195 4.550 -0.000 0.000 0.333 1344 Y C -0.343 175.632 175.900 0.125 0.000 0.968 1344 Y CA -0.416 57.751 58.100 0.111 0.000 1.123 1344 Y CB 1.542 40.052 38.460 0.082 0.000 1.165 1344 Y HN 0.721 nan 8.280 nan 0.000 0.452 1345 Q N 6.759 126.250 119.800 -0.514 0.000 2.365 1345 Q HA 0.454 4.794 4.340 -0.000 0.000 0.269 1345 Q C -1.684 174.061 176.000 -0.426 0.000 1.061 1345 Q CA -0.760 54.854 55.803 -0.316 0.000 0.816 1345 Q CB 2.777 31.430 28.738 -0.142 0.000 1.325 1345 Q HN 0.677 nan 8.270 nan 0.000 0.446 1346 F N 0.000 119.849 119.950 -0.168 0.000 2.286 1346 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1346 F CA 0.000 57.979 58.000 -0.035 0.000 1.383 1346 F CB 0.000 39.109 39.000 0.182 0.000 1.145 1346 F HN 0.000 nan 8.300 nan 0.000 0.574