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 3e80_1_B DATA FIRST_RESID 27 DATA SEQUENCE TKADVVWKDV DGVSMPIPPK THPRLYLREQ QVPDLKNRMN DPKLKKVWAD DATA SEQUENCE MIKMQEDWKP ADIPEVKDFR FYFNQKGLTV RVELMALNYL MTKDPKVGRE DATA SEQUENCE AITSIIDTLE TATFKPAGDI SRGIGLFMVT GAIVYDWCYD QLKPEEKTRF DATA SEQUENCE VKAFVRLAKM LECGYPPVKD KSIVGHASEW MIMRDLLSVG IAIYDEFPEM DATA SEQUENCE YNLAAGRFFK EHLVARNWFY PSHNYHQGMS YLNVRFTNDL FALWILDRMG DATA SEQUENCE AGNVFNPGQQ FILYDAIYKR RPDGQILAGG DVDYSRKKPK YYTMPALLAG DATA SEQUENCE SYYKDEYLNY EFLKDPNVEP HCKLFEFLWR DTQLGSRKPD DLPLSRYSGS DATA SEQUENCE PFGWMIARTG WGPESVIAEM KVNEYSFLNH QHQDAGAFQI YYKGPLAIDA DATA SEQUENCE GSYTGSSGGY NSPHNKNFFK RTIAHNSLLI YDPKETFSSS GYGGSDHTDF DATA SEQUENCE AANDGGQRLP GKGWIAPRDL KEMLAGDFRT GKILAQGFGP DNQTPDYTYL DATA SEQUENCE KGDITAAYSA KVKEVKRSFL FLNLKDAKVP AAMIVFDKVV ASNPDFKKFW DATA SEQUENCE LLHSIEQPEI KGNQITIKRT KNGDSGMLVN TALLPDAANS NITSIGGKGK DATA SEQUENCE DFWVFGTNYT NDPKPGTDEA LERGEWRVEI TPKKAAAEDY YLNVIQIADN DATA SEQUENCE TQQKLHEVKR IDGDKVVGVQ LADRIVTFSK TSETVDRPFG FSVVGKGTFK DATA SEQUENCE FVMTDLLPGT WQVLKDGKIL YPALSAKGDD GALYFEGTEG TYRFLR 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 27 T HA 0.000 nan 4.350 nan 0.000 0.228 27 T C 0.000 174.686 174.700 -0.024 0.000 1.109 27 T CA 0.000 62.053 62.100 -0.079 0.000 1.349 27 T CB 0.000 68.844 68.868 -0.040 0.000 0.612 28 K N 1.597 121.988 120.400 -0.015 0.000 2.513 28 K HA 0.277 4.597 4.320 0.000 0.000 0.275 28 K C 0.882 177.507 176.600 0.041 0.000 1.025 28 K CA 0.268 56.562 56.287 0.011 0.000 1.125 28 K CB -0.037 32.464 32.500 0.002 0.000 0.843 28 K HN 0.901 nan 8.250 nan 0.000 0.486 29 A N 3.996 126.862 122.820 0.076 0.000 2.587 29 A HA -0.069 4.251 4.320 0.000 0.000 0.233 29 A C 0.589 178.239 177.584 0.110 0.000 1.049 29 A CA 0.781 52.902 52.037 0.140 0.000 0.754 29 A CB 0.074 19.207 19.000 0.222 0.000 0.977 29 A HN 0.977 nan 8.150 nan 0.000 0.509 30 D N 0.174 120.643 120.400 0.115 0.000 2.497 30 D HA 0.073 4.713 4.640 0.000 0.000 0.256 30 D C 0.238 176.583 176.300 0.074 0.000 1.273 30 D CA 0.589 54.635 54.000 0.076 0.000 0.812 30 D CB -1.171 39.650 40.800 0.034 0.000 1.190 30 D HN 0.541 nan 8.370 nan 0.000 0.524 31 V N -0.656 119.316 119.914 0.098 0.000 3.214 31 V HA 0.560 4.680 4.120 0.000 0.000 0.306 31 V C 0.805 176.960 176.094 0.100 0.000 1.078 31 V CA -0.889 61.416 62.300 0.009 0.000 1.077 31 V CB 1.315 33.045 31.823 -0.155 0.000 1.121 31 V HN -0.108 nan 8.190 nan 0.000 0.468 32 V N 0.965 120.879 119.914 0.001 0.000 2.881 32 V HA 0.271 4.391 4.120 0.000 0.000 0.303 32 V C -0.448 175.665 176.094 0.032 0.000 1.070 32 V CA 0.055 62.397 62.300 0.071 0.000 1.074 32 V CB 0.909 32.733 31.823 0.002 0.000 1.012 32 V HN 0.936 nan 8.190 nan 0.000 0.482 33 W N 2.763 124.025 121.300 -0.063 0.000 2.883 33 W HA 0.741 5.401 4.660 0.000 0.000 0.335 33 W C -0.135 176.342 176.519 -0.069 0.000 1.083 33 W CA -0.680 56.617 57.345 -0.080 0.000 1.233 33 W CB 1.642 31.054 29.460 -0.080 0.000 1.412 33 W HN 0.394 nan 8.180 nan 0.000 0.490 34 K N 1.279 121.747 120.400 0.114 0.000 2.508 34 K HA 0.373 4.693 4.320 0.000 0.000 0.260 34 K C -1.382 175.241 176.600 0.037 0.000 0.949 34 K CA -0.735 55.592 56.287 0.066 0.000 0.834 34 K CB 1.630 34.148 32.500 0.030 0.000 1.365 34 K HN 0.230 nan 8.250 nan 0.000 0.437 35 D N 1.400 121.820 120.400 0.032 0.000 2.312 35 D HA 0.198 4.838 4.640 0.000 0.000 0.252 35 D C -1.029 175.275 176.300 0.006 0.000 1.150 35 D CA 0.011 54.021 54.000 0.017 0.000 0.870 35 D CB 1.435 42.245 40.800 0.017 0.000 1.153 35 D HN 0.050 nan 8.370 nan 0.000 0.457 36 V N 4.081 123.994 119.914 -0.002 0.000 2.326 36 V HA 0.119 4.239 4.120 0.000 0.000 0.281 36 V C -0.496 175.599 176.094 0.002 0.000 1.015 36 V CA -0.742 61.558 62.300 0.000 0.000 0.823 36 V CB 1.257 33.080 31.823 -0.000 0.000 1.009 36 V HN 0.619 nan 8.190 nan 0.000 0.436 37 D N 4.899 125.299 120.400 0.001 0.000 2.697 37 D HA -0.202 4.438 4.640 0.000 0.000 0.238 37 D C 1.264 177.563 176.300 -0.001 0.000 1.152 37 D CA 1.531 55.530 54.000 -0.001 0.000 0.666 37 D CB -1.012 39.786 40.800 -0.003 0.000 1.037 37 D HN 1.280 nan 8.370 nan 0.000 0.423 38 G N -2.417 106.383 108.800 0.000 0.000 2.299 38 G HA2 -0.315 3.645 3.960 0.000 0.000 0.237 38 G HA3 -0.315 3.645 3.960 0.000 0.000 0.237 38 G C 0.340 175.243 174.900 0.004 0.000 1.027 38 G CA 0.135 45.235 45.100 -0.000 0.000 0.619 38 G HN 0.730 nan 8.290 nan 0.000 0.513 39 V N 1.452 121.371 119.914 0.008 0.000 2.394 39 V HA 0.721 4.841 4.120 0.000 0.000 0.282 39 V C 0.807 176.910 176.094 0.015 0.000 1.031 39 V CA -0.053 62.259 62.300 0.019 0.000 0.881 39 V CB 1.495 33.337 31.823 0.033 0.000 0.982 39 V HN 0.489 nan 8.190 nan 0.000 0.451 40 S N 6.028 121.749 115.700 0.037 0.000 2.548 40 S HA 0.679 5.149 4.470 0.000 0.000 0.277 40 S C -0.351 174.253 174.600 0.007 0.000 1.315 40 S CA -0.344 57.899 58.200 0.072 0.000 1.050 40 S CB 0.077 63.354 63.200 0.128 0.000 0.918 40 S HN 0.655 nan 8.310 nan 0.000 0.497 41 M N 5.433 124.973 119.600 -0.099 0.000 2.550 41 M HA 0.459 4.939 4.480 0.000 0.000 0.292 41 M C -2.672 173.234 176.300 -0.656 0.000 1.221 41 M CA -2.173 52.781 55.300 -0.578 0.000 0.873 41 M CB 2.450 34.757 32.600 -0.489 0.000 1.727 41 M HN 0.410 nan 8.290 nan 0.000 0.459 42 P HA 0.409 nan 4.420 nan 0.000 0.277 42 P C -1.145 175.810 177.300 -0.575 0.000 1.240 42 P CA -0.190 62.172 63.100 -1.231 0.000 0.798 42 P CB 0.963 31.840 31.700 -1.372 0.000 0.979 43 I N 3.247 123.500 120.570 -0.529 0.000 2.354 43 I HA 0.266 4.436 4.170 0.000 0.000 0.292 43 I C -2.147 173.589 176.117 -0.635 0.000 0.989 43 I CA -2.843 58.149 61.300 -0.513 0.000 1.188 43 I CB 1.619 39.434 38.000 -0.309 0.000 1.342 43 I HN 0.095 nan 8.210 nan 0.000 0.457 44 P HA 0.106 nan 4.420 nan 0.000 0.267 44 P C -2.386 174.599 177.300 -0.525 0.000 1.205 44 P CA -0.904 61.727 63.100 -0.781 0.000 0.765 44 P CB -0.250 30.811 31.700 -1.065 0.000 0.828 45 P HA 0.043 nan 4.420 nan 0.000 0.268 45 P C -0.370 176.781 177.300 -0.248 0.000 1.205 45 P CA -0.282 62.672 63.100 -0.242 0.000 0.771 45 P CB 0.435 32.028 31.700 -0.180 0.000 0.858 46 K N 0.670 120.969 120.400 -0.169 0.000 2.360 46 K HA 0.272 4.592 4.320 0.000 0.000 0.225 46 K C 0.020 176.515 176.600 -0.174 0.000 1.246 46 K CA -0.206 55.996 56.287 -0.142 0.000 1.198 46 K CB -0.760 31.708 32.500 -0.053 0.000 1.348 46 K HN 0.244 nan 8.250 nan 0.000 0.232 47 T N 0.946 115.308 114.554 -0.320 0.000 3.047 47 T HA 0.212 4.562 4.350 0.000 0.000 0.340 47 T C -1.930 172.494 174.700 -0.460 0.000 1.421 47 T CA -0.877 61.067 62.100 -0.261 0.000 1.090 47 T CB 0.873 69.659 68.868 -0.136 0.000 1.292 47 T HN 0.602 nan 8.240 nan 0.000 0.480 48 H N 2.993 122.008 119.070 -0.092 0.000 2.538 48 H HA 0.599 5.155 4.556 0.000 0.000 0.353 48 H C -2.113 173.226 175.328 0.019 0.000 1.109 48 H CA -1.247 54.776 56.048 -0.042 0.000 1.192 48 H CB 1.671 31.384 29.762 -0.083 0.000 1.555 48 H HN 0.358 nan 8.280 nan 0.000 0.518 49 P HA 0.256 nan 4.420 nan 0.000 0.278 49 P C -0.214 177.135 177.300 0.080 0.000 1.258 49 P CA -0.758 62.467 63.100 0.209 0.000 0.811 49 P CB 1.820 33.627 31.700 0.178 0.000 1.063 50 R N -0.825 119.738 120.500 0.105 0.000 2.526 50 R HA 0.304 4.644 4.340 0.000 0.000 0.346 50 R C -0.229 176.132 176.300 0.102 0.000 0.926 50 R CA -0.424 55.693 56.100 0.028 0.000 1.147 50 R CB -0.215 30.005 30.300 -0.133 0.000 1.629 50 R HN 0.207 nan 8.270 nan 0.000 0.516 51 L N 2.035 123.367 121.223 0.182 0.000 2.257 51 L HA 0.314 4.654 4.340 0.000 0.000 0.290 51 L C -0.181 176.863 176.870 0.292 0.000 1.044 51 L CA 0.032 54.898 54.840 0.042 0.000 0.810 51 L CB -0.291 41.651 42.059 -0.195 0.000 1.193 51 L HN 0.410 nan 8.230 nan 0.000 0.425 52 Y N 3.565 124.205 120.300 0.566 0.000 4.155 52 Y HA -0.358 4.192 4.550 0.000 0.000 0.345 52 Y C 0.249 176.546 175.900 0.661 0.000 1.140 52 Y CA 1.012 59.582 58.100 0.783 0.000 2.047 52 Y CB -1.434 37.513 38.460 0.812 0.000 0.946 52 Y HN 0.587 nan 8.280 nan 0.000 0.456 53 L N -2.919 118.627 121.223 0.538 0.000 2.838 53 L HA 0.858 5.198 4.340 0.000 0.000 0.266 53 L C -0.736 176.233 176.870 0.164 0.000 1.040 53 L CA -1.384 53.642 54.840 0.311 0.000 0.906 53 L CB 2.101 44.284 42.059 0.207 0.000 1.501 53 L HN -0.059 nan 8.230 nan 0.000 0.407 54 R N -0.113 120.440 120.500 0.088 0.000 2.950 54 R HA 0.324 4.665 4.340 0.000 0.000 0.253 54 R C 0.079 176.375 176.300 -0.006 0.000 1.168 54 R CA -0.906 55.214 56.100 0.033 0.000 1.014 54 R CB 1.465 31.778 30.300 0.022 0.000 1.228 54 R HN 0.822 nan 8.270 nan 0.000 0.487 55 E N 1.305 121.494 120.200 -0.019 0.000 2.147 55 E HA -0.269 4.081 4.350 0.000 0.000 0.199 55 E C 1.732 178.311 176.600 -0.035 0.000 1.005 55 E CA 1.788 58.167 56.400 -0.035 0.000 0.810 55 E CB 0.058 29.741 29.700 -0.029 0.000 0.736 55 E HN 0.454 nan 8.360 nan 0.000 0.460 56 Q N -0.541 119.247 119.800 -0.021 0.000 2.096 56 Q HA -0.203 4.137 4.340 0.000 0.000 0.204 56 Q C 1.607 177.592 176.000 -0.024 0.000 0.982 56 Q CA 1.894 57.685 55.803 -0.020 0.000 0.850 56 Q CB -0.008 28.724 28.738 -0.010 0.000 0.901 56 Q HN 0.482 nan 8.270 nan 0.000 0.422 57 Q N -0.963 118.827 119.800 -0.018 0.000 2.319 57 Q HA 0.051 4.391 4.340 0.000 0.000 0.202 57 Q C 1.774 177.741 176.000 -0.055 0.000 0.896 57 Q CA 0.202 55.992 55.803 -0.022 0.000 0.942 57 Q CB 0.281 29.028 28.738 0.016 0.000 1.083 57 Q HN 0.186 nan 8.270 nan 0.000 0.510 58 V N 2.354 122.225 119.914 -0.072 0.000 2.295 58 V HA -0.178 3.942 4.120 0.000 0.000 0.246 58 V C -0.452 175.583 176.094 -0.097 0.000 1.049 58 V CA 2.005 64.240 62.300 -0.109 0.000 1.024 58 V CB -1.523 30.227 31.823 -0.121 0.000 0.648 58 V HN 0.249 nan 8.190 nan 0.000 0.447 59 P HA -0.165 nan 4.420 nan 0.000 0.217 59 P C 1.216 178.474 177.300 -0.070 0.000 1.148 59 P CA 1.589 64.647 63.100 -0.069 0.000 0.828 59 P CB -0.041 31.626 31.700 -0.056 0.000 0.783 60 D N -1.287 119.070 120.400 -0.072 0.000 2.310 60 D HA -0.091 4.549 4.640 0.000 0.000 0.212 60 D C 1.727 177.966 176.300 -0.101 0.000 0.965 60 D CA 0.581 54.534 54.000 -0.079 0.000 0.879 60 D CB -0.606 40.150 40.800 -0.074 0.000 0.921 60 D HN 0.060 nan 8.370 nan 0.000 0.510 61 L N -0.084 121.079 121.223 -0.101 0.000 2.042 61 L HA -0.194 4.146 4.340 0.000 0.000 0.210 61 L C 2.361 179.201 176.870 -0.051 0.000 1.076 61 L CA 1.101 55.888 54.840 -0.089 0.000 0.749 61 L CB -0.441 41.586 42.059 -0.054 0.000 0.893 61 L HN 0.009 nan 8.230 nan 0.000 0.432 62 K N 0.643 121.006 120.400 -0.062 0.000 2.113 62 K HA -0.189 4.131 4.320 0.000 0.000 0.208 62 K C 1.741 178.296 176.600 -0.075 0.000 1.047 62 K CA 1.649 57.894 56.287 -0.069 0.000 0.928 62 K CB -0.189 32.270 32.500 -0.069 0.000 0.716 62 K HN 0.327 nan 8.250 nan 0.000 0.446 63 N N 0.240 118.894 118.700 -0.077 0.000 2.300 63 N HA -0.057 4.683 4.740 0.000 0.000 0.179 63 N C 1.651 177.111 175.510 -0.084 0.000 1.016 63 N CA 0.885 53.889 53.050 -0.076 0.000 0.876 63 N CB -0.174 38.269 38.487 -0.073 0.000 0.979 63 N HN 0.250 nan 8.380 nan 0.000 0.432 64 R N 0.318 120.745 120.500 -0.121 0.000 2.096 64 R HA -0.011 4.329 4.340 0.000 0.000 0.235 64 R C 1.961 178.282 176.300 0.035 0.000 1.127 64 R CA 1.003 56.997 56.100 -0.177 0.000 0.968 64 R CB -0.250 29.721 30.300 -0.550 0.000 0.861 64 R HN 0.107 nan 8.270 nan 0.000 0.440 65 M N 0.956 120.591 119.600 0.059 0.000 2.213 65 M HA -0.111 4.369 4.480 0.000 0.000 0.263 65 M C 0.778 176.995 176.300 -0.139 0.000 1.062 65 M CA 1.810 57.053 55.300 -0.095 0.000 1.105 65 M CB -0.116 32.325 32.600 -0.264 0.000 1.385 65 M HN 0.008 nan 8.290 nan 0.000 0.417 66 N N -0.181 118.464 118.700 -0.091 0.000 2.280 66 N HA -0.004 4.736 4.740 0.000 0.000 0.192 66 N C -0.392 175.092 175.510 -0.043 0.000 1.109 66 N CA -0.047 52.956 53.050 -0.078 0.000 0.855 66 N CB 0.136 38.579 38.487 -0.073 0.000 0.974 66 N HN 0.301 nan 8.380 nan 0.000 0.482 67 D N 0.573 120.958 120.400 -0.026 0.000 2.351 67 D HA 0.058 4.698 4.640 0.000 0.000 0.251 67 D C -1.837 174.470 176.300 0.011 0.000 1.137 67 D CA -1.784 52.209 54.000 -0.012 0.000 0.879 67 D CB 1.582 42.370 40.800 -0.020 0.000 1.181 67 D HN 0.054 nan 8.370 nan 0.000 0.448 68 P HA 0.072 nan 4.420 nan 0.000 0.236 68 P C 0.669 177.987 177.300 0.031 0.000 1.177 68 P CA 0.679 63.789 63.100 0.017 0.000 0.773 68 P CB 0.450 32.154 31.700 0.007 0.000 0.878 69 K N -0.905 119.515 120.400 0.034 0.000 2.361 69 K HA 0.231 4.551 4.320 0.000 0.000 0.194 69 K C 1.178 177.824 176.600 0.076 0.000 1.032 69 K CA 0.165 56.480 56.287 0.046 0.000 1.048 69 K CB 0.028 32.552 32.500 0.040 0.000 0.842 69 K HN 0.117 nan 8.250 nan 0.000 0.526 70 L N 0.570 121.846 121.223 0.089 0.000 2.685 70 L HA 0.091 4.431 4.340 0.000 0.000 0.233 70 L C 1.562 178.550 176.870 0.197 0.000 1.173 70 L CA -0.051 54.885 54.840 0.159 0.000 0.961 70 L CB 0.179 42.342 42.059 0.172 0.000 1.217 70 L HN -0.070 nan 8.230 nan 0.000 0.478 71 K N 0.594 121.074 120.400 0.134 0.000 2.067 71 K HA -0.040 4.280 4.320 0.000 0.000 0.203 71 K C 1.942 178.637 176.600 0.159 0.000 1.048 71 K CA 0.822 57.199 56.287 0.151 0.000 0.954 71 K CB 0.017 32.573 32.500 0.094 0.000 0.737 71 K HN 0.039 nan 8.250 nan 0.000 0.444 72 K N 1.455 121.913 120.400 0.097 0.000 2.211 72 K HA -0.099 4.221 4.320 0.000 0.000 0.204 72 K C 1.850 178.481 176.600 0.051 0.000 1.047 72 K CA 1.009 57.330 56.287 0.056 0.000 0.935 72 K CB -0.003 32.511 32.500 0.024 0.000 0.728 72 K HN 0.028 nan 8.250 nan 0.000 0.452 73 V N -0.607 119.364 119.914 0.095 0.000 2.535 73 V HA -0.126 3.994 4.120 0.000 0.000 0.246 73 V C 1.743 177.868 176.094 0.051 0.000 1.045 73 V CA 1.257 63.602 62.300 0.075 0.000 1.058 73 V CB -0.462 31.434 31.823 0.121 0.000 0.689 73 V HN 0.535 nan 8.190 nan 0.000 0.461 74 W N 1.053 122.303 121.300 -0.083 0.000 2.436 74 W HA 0.089 4.749 4.660 0.000 0.000 0.284 74 W C 2.264 178.696 176.519 -0.146 0.000 1.225 74 W CA 1.916 59.142 57.345 -0.198 0.000 1.271 74 W CB -0.213 29.097 29.460 -0.251 0.000 1.114 74 W HN 0.320 nan 8.180 nan 0.000 0.559 75 A N 0.006 122.798 122.820 -0.047 0.000 1.969 75 A HA -0.182 4.138 4.320 0.000 0.000 0.218 75 A C 1.713 179.146 177.584 -0.252 0.000 1.169 75 A CA 1.971 53.894 52.037 -0.190 0.000 0.635 75 A CB -0.817 18.171 19.000 -0.020 0.000 0.810 75 A HN 0.247 nan 8.150 nan 0.000 0.445 76 D N -0.030 120.261 120.400 -0.181 0.000 2.117 76 D HA -0.133 4.507 4.640 0.000 0.000 0.197 76 D C 1.956 178.111 176.300 -0.242 0.000 0.987 76 D CA 1.454 55.349 54.000 -0.175 0.000 0.829 76 D CB -0.352 40.380 40.800 -0.114 0.000 0.961 76 D HN 0.511 nan 8.370 nan 0.000 0.460 77 M N -0.132 119.280 119.600 -0.313 0.000 2.476 77 M HA -0.052 4.428 4.480 0.000 0.000 0.262 77 M C 1.771 177.817 176.300 -0.423 0.000 1.079 77 M CA 0.442 55.534 55.300 -0.347 0.000 1.104 77 M CB 0.246 32.618 32.600 -0.380 0.000 1.409 77 M HN -0.007 nan 8.290 nan 0.000 0.467 78 I N 1.017 121.263 120.570 -0.540 0.000 2.286 78 I HA -0.200 3.970 4.170 0.000 0.000 0.245 78 I C 2.122 178.047 176.117 -0.321 0.000 1.104 78 I CA 1.586 62.571 61.300 -0.524 0.000 1.397 78 I CB -0.823 36.798 38.000 -0.631 0.000 1.072 78 I HN 0.327 nan 8.210 nan 0.000 0.417 79 K N 0.360 120.596 120.400 -0.273 0.000 2.057 79 K HA -0.113 4.207 4.320 0.000 0.000 0.206 79 K C 2.060 178.530 176.600 -0.216 0.000 1.050 79 K CA 1.184 57.343 56.287 -0.213 0.000 0.935 79 K CB -0.240 32.147 32.500 -0.188 0.000 0.715 79 K HN 0.190 nan 8.250 nan 0.000 0.439 80 M N 1.364 120.828 119.600 -0.227 0.000 2.331 80 M HA -0.271 4.209 4.480 0.000 0.000 0.260 80 M C 1.957 178.139 176.300 -0.196 0.000 1.072 80 M CA 1.596 56.765 55.300 -0.218 0.000 1.065 80 M CB -0.294 32.187 32.600 -0.198 0.000 1.392 80 M HN 0.199 nan 8.290 nan 0.000 0.427 81 Q N 0.077 119.766 119.800 -0.185 0.000 2.291 81 Q HA -0.058 4.282 4.340 0.000 0.000 0.205 81 Q C 0.068 175.995 176.000 -0.122 0.000 0.970 81 Q CA 0.506 56.224 55.803 -0.142 0.000 0.876 81 Q CB -0.034 28.619 28.738 -0.141 0.000 0.935 81 Q HN 0.521 nan 8.270 nan 0.000 0.455 82 E N 2.116 122.229 120.200 -0.145 0.000 2.415 82 E HA -0.023 4.327 4.350 0.000 0.000 0.263 82 E C -0.569 175.954 176.600 -0.129 0.000 0.995 82 E CA -0.060 56.265 56.400 -0.125 0.000 0.915 82 E CB 0.442 30.059 29.700 -0.138 0.000 0.951 82 E HN 0.124 nan 8.360 nan 0.000 0.449 83 D N 1.550 121.914 120.400 -0.061 0.000 2.390 83 D HA -0.063 4.577 4.640 0.000 0.000 0.236 83 D C -0.109 176.190 176.300 -0.001 0.000 1.189 83 D CA 0.254 54.253 54.000 -0.002 0.000 0.887 83 D CB 0.376 41.203 40.800 0.046 0.000 1.198 83 D HN 0.280 nan 8.370 nan 0.000 0.444 84 W N 1.286 122.575 121.300 -0.020 0.000 2.314 84 W HA -0.030 4.630 4.660 0.000 0.000 0.339 84 W C 1.314 177.829 176.519 -0.006 0.000 1.293 84 W CA 0.187 57.529 57.345 -0.005 0.000 1.288 84 W CB 0.342 29.829 29.460 0.046 0.000 1.186 84 W HN 0.092 nan 8.180 nan 0.000 0.566 85 K N 5.719 126.272 120.400 0.255 0.000 2.436 85 K HA -0.055 4.265 4.320 0.000 0.000 0.282 85 K C -1.504 175.215 176.600 0.199 0.000 1.044 85 K CA -0.789 55.599 56.287 0.169 0.000 1.028 85 K CB 0.741 33.319 32.500 0.131 0.000 0.919 85 K HN 0.111 nan 8.250 nan 0.000 0.474 86 P HA -0.248 nan 4.420 nan 0.000 0.215 86 P C 0.678 177.999 177.300 0.036 0.000 1.163 86 P CA 1.621 64.759 63.100 0.064 0.000 0.894 86 P CB 0.115 31.834 31.700 0.030 0.000 0.791 87 A N -0.819 122.025 122.820 0.039 0.000 2.076 87 A HA -0.200 4.120 4.320 0.000 0.000 0.220 87 A C 1.423 179.022 177.584 0.026 0.000 1.160 87 A CA 2.118 54.167 52.037 0.019 0.000 0.653 87 A CB -1.177 17.836 19.000 0.021 0.000 0.801 87 A HN 0.152 nan 8.150 nan 0.000 0.455 88 D N -1.036 119.417 120.400 0.088 0.000 2.398 88 D HA 0.217 4.857 4.640 0.000 0.000 0.210 88 D C 0.266 176.550 176.300 -0.026 0.000 1.094 88 D CA -0.167 53.910 54.000 0.129 0.000 0.839 88 D CB 0.073 41.057 40.800 0.308 0.000 0.963 88 D HN 0.428 nan 8.370 nan 0.000 0.506 89 I N 3.556 124.042 120.570 -0.140 0.000 2.618 89 I HA 0.087 4.257 4.170 0.000 0.000 0.284 89 I C -1.783 174.079 176.117 -0.424 0.000 1.146 89 I CA -1.270 59.736 61.300 -0.490 0.000 1.425 89 I CB 0.318 38.099 38.000 -0.364 0.000 1.383 89 I HN -0.167 nan 8.210 nan 0.000 0.562 90 P HA 0.166 nan 4.420 nan 0.000 0.279 90 P C -0.067 176.982 177.300 -0.417 0.000 1.252 90 P CA -0.535 62.330 63.100 -0.392 0.000 0.811 90 P CB 0.859 32.334 31.700 -0.374 0.000 1.035 91 E N 0.062 120.091 120.200 -0.285 0.000 2.152 91 E HA 0.011 4.361 4.350 0.000 0.000 0.192 91 E C 0.056 176.489 176.600 -0.278 0.000 0.983 91 E CA 0.510 56.756 56.400 -0.255 0.000 0.818 91 E CB -0.248 29.350 29.700 -0.170 0.000 0.758 91 E HN 0.108 nan 8.360 nan 0.000 0.467 92 V N 2.103 121.857 119.914 -0.268 0.000 2.328 92 V HA 0.187 4.307 4.120 0.000 0.000 0.278 92 V C -0.356 175.544 176.094 -0.323 0.000 1.021 92 V CA -0.851 61.309 62.300 -0.234 0.000 0.838 92 V CB 1.184 32.923 31.823 -0.140 0.000 0.999 92 V HN 0.096 nan 8.190 nan 0.000 0.447 93 K N 3.347 123.528 120.400 -0.366 0.000 2.142 93 K HA 0.267 4.587 4.320 0.000 0.000 0.250 93 K C -0.198 176.386 176.600 -0.028 0.000 1.148 93 K CA -0.422 55.575 56.287 -0.484 0.000 1.040 93 K CB 0.141 32.204 32.500 -0.728 0.000 1.569 93 K HN 0.603 nan 8.250 nan 0.000 0.361 94 D N 0.965 121.345 120.400 -0.033 0.000 2.300 94 D HA -0.121 4.519 4.640 0.000 0.000 0.235 94 D C 1.078 177.487 176.300 0.182 0.000 1.338 94 D CA -0.093 53.929 54.000 0.037 0.000 0.903 94 D CB 0.401 41.121 40.800 -0.134 0.000 1.180 94 D HN 0.379 nan 8.370 nan 0.000 0.485 95 F N -0.179 119.789 119.950 0.030 0.000 2.234 95 F HA 0.052 4.579 4.527 0.000 0.000 0.299 95 F C 2.002 177.668 175.800 -0.224 0.000 1.087 95 F CA 0.743 58.639 58.000 -0.173 0.000 1.340 95 F CB -0.221 38.507 39.000 -0.454 0.000 1.031 95 F HN 0.102 nan 8.300 nan 0.000 0.500 96 R N -0.178 119.717 120.500 -1.007 0.000 2.120 96 R HA -0.134 4.206 4.340 0.000 0.000 0.234 96 R C 2.136 178.351 176.300 -0.142 0.000 1.123 96 R CA 1.681 57.406 56.100 -0.625 0.000 0.975 96 R CB -0.897 29.044 30.300 -0.599 0.000 0.866 96 R HN 0.448 nan 8.270 nan 0.000 0.446 97 F N 0.634 120.439 119.950 -0.241 0.000 2.102 97 F HA -0.238 4.289 4.527 0.000 0.000 0.298 97 F C 1.624 177.344 175.800 -0.133 0.000 1.105 97 F CA 1.445 59.308 58.000 -0.228 0.000 1.239 97 F CB -0.422 38.277 39.000 -0.501 0.000 0.991 97 F HN -0.087 nan 8.300 nan 0.000 0.474 98 Y N -1.475 118.816 120.300 -0.015 0.000 2.314 98 Y HA -0.153 4.397 4.550 0.000 0.000 0.293 98 Y C 2.201 178.141 175.900 0.066 0.000 1.129 98 Y CA 0.896 58.970 58.100 -0.045 0.000 1.201 98 Y CB -0.636 37.887 38.460 0.105 0.000 0.999 98 Y HN 0.032 nan 8.280 nan 0.000 0.541 99 F N -0.005 119.902 119.950 -0.072 0.000 2.325 99 F HA -0.098 4.429 4.527 0.000 0.000 0.299 99 F C 1.482 177.270 175.800 -0.019 0.000 1.090 99 F CA 0.593 58.479 58.000 -0.190 0.000 1.392 99 F CB -0.821 38.068 39.000 -0.185 0.000 1.053 99 F HN 0.037 nan 8.300 nan 0.000 0.521 100 N N 1.340 120.116 118.700 0.127 0.000 3.111 100 N HA -0.058 4.682 4.740 0.000 0.000 0.302 100 N C 0.106 175.575 175.510 -0.068 0.000 1.317 100 N CA 0.015 53.087 53.050 0.036 0.000 1.151 100 N CB -0.635 37.893 38.487 0.068 0.000 1.456 100 N HN 0.281 nan 8.380 nan 0.000 0.547 101 Q N 1.150 120.938 119.800 -0.020 0.000 2.304 101 Q HA -0.011 4.329 4.340 0.000 0.000 0.301 101 Q C -0.732 175.184 176.000 -0.141 0.000 1.063 101 Q CA 0.831 56.610 55.803 -0.040 0.000 0.947 101 Q CB 0.467 29.227 28.738 0.037 0.000 1.201 101 Q HN 0.287 nan 8.270 nan 0.000 0.389 102 K N 1.607 121.924 120.400 -0.138 0.000 2.532 102 K HA 0.631 4.951 4.320 0.000 0.000 0.265 102 K C -0.425 176.135 176.600 -0.067 0.000 0.948 102 K CA -0.298 55.867 56.287 -0.203 0.000 0.842 102 K CB 1.949 34.151 32.500 -0.497 0.000 1.392 102 K HN 0.938 nan 8.250 nan 0.000 0.436 103 G N 0.964 109.720 108.800 -0.073 0.000 2.499 103 G HA2 -0.287 3.673 3.960 0.000 0.000 0.232 103 G HA3 -0.287 3.673 3.960 0.000 0.000 0.232 103 G C 0.383 175.291 174.900 0.013 0.000 1.251 103 G CA 0.046 45.139 45.100 -0.013 0.000 0.917 103 G HN 0.524 nan 8.290 nan 0.000 0.580 104 L N 1.222 122.473 121.223 0.046 0.000 2.064 104 L HA -0.094 4.246 4.340 0.000 0.000 0.216 104 L C 3.381 180.289 176.870 0.063 0.000 1.077 104 L CA 4.256 59.129 54.840 0.055 0.000 0.766 104 L CB -1.022 41.083 42.059 0.077 0.000 0.890 104 L HN 1.340 nan 8.230 nan 0.000 0.435 105 T N -4.848 109.766 114.554 0.101 0.000 2.821 105 T HA -0.118 4.232 4.350 0.000 0.000 0.267 105 T C 1.849 176.571 174.700 0.036 0.000 1.046 105 T CA 1.302 63.461 62.100 0.098 0.000 1.139 105 T CB -1.008 67.971 68.868 0.186 0.000 0.871 105 T HN 0.158 nan 8.240 nan 0.000 0.454 106 V N 1.882 121.801 119.914 0.009 0.000 2.295 106 V HA -0.150 3.970 4.120 0.000 0.000 0.246 106 V C 3.045 179.114 176.094 -0.041 0.000 1.049 106 V CA 1.943 64.219 62.300 -0.041 0.000 1.024 106 V CB -0.740 31.035 31.823 -0.081 0.000 0.648 106 V HN 0.435 nan 8.190 nan 0.000 0.447 107 R N 0.183 120.665 120.500 -0.029 0.000 2.103 107 R HA -0.177 4.163 4.340 0.000 0.000 0.242 107 R C 2.259 178.562 176.300 0.006 0.000 1.142 107 R CA 1.993 58.081 56.100 -0.021 0.000 0.960 107 R CB -0.635 29.657 30.300 -0.012 0.000 0.858 107 R HN 0.648 nan 8.270 nan 0.000 0.439 108 V N -1.882 118.041 119.914 0.016 0.000 2.719 108 V HA -0.078 4.042 4.120 0.000 0.000 0.252 108 V C 1.603 177.718 176.094 0.035 0.000 1.065 108 V CA 1.303 63.622 62.300 0.030 0.000 1.086 108 V CB -0.326 31.516 31.823 0.032 0.000 0.700 108 V HN 0.200 nan 8.190 nan 0.000 0.467 109 E N 0.986 121.189 120.200 0.006 0.000 2.051 109 E HA -0.117 4.233 4.350 0.000 0.000 0.192 109 E C 2.206 178.869 176.600 0.105 0.000 0.991 109 E CA 1.799 58.194 56.400 -0.009 0.000 0.799 109 E CB -0.313 29.341 29.700 -0.076 0.000 0.748 109 E HN 0.581 nan 8.360 nan 0.000 0.449 110 L N 0.268 121.531 121.223 0.067 0.000 2.141 110 L HA -0.159 4.181 4.340 0.000 0.000 0.209 110 L C 2.539 179.496 176.870 0.144 0.000 1.094 110 L CA 0.816 55.716 54.840 0.099 0.000 0.763 110 L CB -0.263 41.804 42.059 0.013 0.000 0.908 110 L HN 0.210 nan 8.230 nan 0.000 0.437 111 M N -0.603 119.066 119.600 0.116 0.000 2.080 111 M HA -0.224 4.256 4.480 0.000 0.000 0.260 111 M C 2.549 178.972 176.300 0.205 0.000 1.068 111 M CA 2.022 57.398 55.300 0.127 0.000 1.109 111 M CB -0.512 32.138 32.600 0.082 0.000 1.342 111 M HN 0.338 nan 8.290 nan 0.000 0.405 112 A N 0.132 123.103 122.820 0.252 0.000 1.933 112 A HA -0.170 4.150 4.320 0.000 0.000 0.218 112 A C 2.067 179.976 177.584 0.541 0.000 1.175 112 A CA 1.381 53.669 52.037 0.418 0.000 0.628 112 A CB -0.792 18.452 19.000 0.406 0.000 0.814 112 A HN 0.460 nan 8.150 nan 0.000 0.444 113 L N 0.182 121.697 121.223 0.486 0.000 2.083 113 L HA -0.113 4.227 4.340 0.000 0.000 0.209 113 L C 1.725 178.681 176.870 0.143 0.000 1.083 113 L CA 2.331 57.348 54.840 0.294 0.000 0.752 113 L CB -0.798 41.439 42.059 0.296 0.000 0.899 113 L HN 0.341 nan 8.230 nan 0.000 0.433 114 N N -1.833 116.973 118.700 0.176 0.000 2.309 114 N HA -0.220 4.520 4.740 0.000 0.000 0.182 114 N C 1.631 177.229 175.510 0.146 0.000 1.018 114 N CA 1.166 54.295 53.050 0.132 0.000 0.876 114 N CB -0.333 38.236 38.487 0.138 0.000 0.972 114 N HN 0.546 nan 8.380 nan 0.000 0.434 115 Y N 0.748 121.096 120.300 0.080 0.000 2.337 115 Y HA 0.094 4.644 4.550 0.000 0.000 0.293 115 Y C 1.707 177.629 175.900 0.038 0.000 1.123 115 Y CA 0.948 59.087 58.100 0.065 0.000 1.201 115 Y CB -0.211 38.303 38.460 0.090 0.000 1.011 115 Y HN 0.010 nan 8.280 nan 0.000 0.545 116 L N -0.702 120.461 121.223 -0.100 0.000 2.017 116 L HA -0.269 4.071 4.340 0.000 0.000 0.208 116 L C 2.472 179.216 176.870 -0.210 0.000 1.073 116 L CA 1.807 56.501 54.840 -0.243 0.000 0.745 116 L CB -0.494 41.386 42.059 -0.299 0.000 0.894 116 L HN 0.277 nan 8.230 nan 0.000 0.432 117 M N -0.984 118.545 119.600 -0.119 0.000 2.229 117 M HA -0.127 4.353 4.480 0.000 0.000 0.264 117 M C 1.968 178.220 176.300 -0.081 0.000 1.063 117 M CA 2.123 57.370 55.300 -0.088 0.000 1.114 117 M CB -0.248 32.325 32.600 -0.045 0.000 1.387 117 M HN 0.428 nan 8.290 nan 0.000 0.420 118 T N -4.707 109.806 114.554 -0.068 0.000 2.975 118 T HA 0.251 4.601 4.350 0.000 0.000 0.257 118 T C 0.774 175.439 174.700 -0.060 0.000 1.003 118 T CA -0.229 61.846 62.100 -0.041 0.000 0.932 118 T CB 0.236 69.110 68.868 0.010 0.000 1.087 118 T HN 0.288 nan 8.240 nan 0.000 0.512 119 K N 0.923 121.226 120.400 -0.161 0.000 3.349 119 K HA -0.166 4.154 4.320 0.000 0.000 0.310 119 K C -0.473 176.173 176.600 0.076 0.000 1.267 119 K CA 0.957 57.113 56.287 -0.219 0.000 0.920 119 K CB -1.523 30.888 32.500 -0.147 0.000 1.240 119 K HN 0.502 nan 8.250 nan 0.000 0.453 120 D N 0.583 121.077 120.400 0.157 0.000 2.382 120 D HA 0.059 4.699 4.640 0.000 0.000 0.259 120 D C -1.413 175.055 176.300 0.280 0.000 1.224 120 D CA -2.084 52.024 54.000 0.180 0.000 0.894 120 D CB 1.106 41.981 40.800 0.125 0.000 1.127 120 D HN -0.062 nan 8.370 nan 0.000 0.487 121 P HA -0.135 nan 4.420 nan 0.000 0.219 121 P C 1.119 178.410 177.300 -0.015 0.000 1.150 121 P CA 1.078 64.237 63.100 0.097 0.000 0.814 121 P CB 0.222 31.962 31.700 0.067 0.000 0.787 122 K N 0.591 121.002 120.400 0.019 0.000 2.063 122 K HA -0.117 4.203 4.320 0.000 0.000 0.208 122 K C 1.604 178.195 176.600 -0.015 0.000 1.048 122 K CA 1.828 58.113 56.287 -0.003 0.000 0.928 122 K CB -1.427 31.082 32.500 0.015 0.000 0.713 122 K HN -0.047 nan 8.250 nan 0.000 0.442 123 V N 0.338 120.268 119.914 0.025 0.000 2.667 123 V HA -0.039 4.081 4.120 0.000 0.000 0.252 123 V C 2.352 178.422 176.094 -0.039 0.000 1.065 123 V CA 1.774 64.098 62.300 0.041 0.000 1.083 123 V CB -0.927 30.969 31.823 0.123 0.000 0.692 123 V HN 0.571 nan 8.190 nan 0.000 0.468 124 G N -0.110 108.546 108.800 -0.242 0.000 2.396 124 G HA2 -0.136 3.824 3.960 0.000 0.000 0.214 124 G HA3 -0.136 3.824 3.960 0.000 0.000 0.214 124 G C 1.732 176.422 174.900 -0.350 0.000 1.166 124 G CA 0.110 44.830 45.100 -0.634 0.000 0.793 124 G HN 0.279 nan 8.290 nan 0.000 0.533 125 R N 0.571 120.922 120.500 -0.247 0.000 2.096 125 R HA 0.009 4.349 4.340 0.000 0.000 0.235 125 R C 2.242 178.489 176.300 -0.088 0.000 1.127 125 R CA 0.920 56.931 56.100 -0.150 0.000 0.968 125 R CB -0.644 29.594 30.300 -0.105 0.000 0.861 125 R HN 0.503 nan 8.270 nan 0.000 0.440 126 E N 0.234 120.395 120.200 -0.065 0.000 2.072 126 E HA -0.085 4.265 4.350 0.000 0.000 0.191 126 E C 1.834 178.426 176.600 -0.014 0.000 0.985 126 E CA 0.930 57.314 56.400 -0.027 0.000 0.801 126 E CB 0.089 29.783 29.700 -0.010 0.000 0.750 126 E HN 0.255 nan 8.360 nan 0.000 0.452 127 A N 1.230 124.039 122.820 -0.017 0.000 1.883 127 A HA -0.203 4.117 4.320 0.000 0.000 0.217 127 A C 2.129 179.728 177.584 0.024 0.000 1.186 127 A CA 1.360 53.403 52.037 0.011 0.000 0.624 127 A CB -0.660 18.355 19.000 0.025 0.000 0.822 127 A HN 0.243 nan 8.150 nan 0.000 0.444 128 I N 0.158 120.727 120.570 -0.001 0.000 2.142 128 I HA -0.252 3.918 4.170 0.000 0.000 0.240 128 I C 2.773 178.935 176.117 0.075 0.000 1.078 128 I CA 1.960 63.296 61.300 0.061 0.000 1.343 128 I CB -0.681 37.312 38.000 -0.013 0.000 1.046 128 I HN 0.509 nan 8.210 nan 0.000 0.405 129 T N -2.702 111.862 114.554 0.017 0.000 2.995 129 T HA -0.043 4.307 4.350 0.000 0.000 0.269 129 T C 1.820 176.521 174.700 0.002 0.000 1.091 129 T CA 1.131 63.233 62.100 0.003 0.000 1.128 129 T CB -0.263 68.597 68.868 -0.013 0.000 0.891 129 T HN 0.145 nan 8.240 nan 0.000 0.492 130 S N 0.422 116.129 115.700 0.012 0.000 2.489 130 S HA 0.244 4.714 4.470 0.000 0.000 0.228 130 S C 1.570 176.182 174.600 0.021 0.000 0.995 130 S CA 0.200 58.408 58.200 0.015 0.000 0.934 130 S CB -0.155 63.056 63.200 0.019 0.000 0.771 130 S HN 0.411 nan 8.310 nan 0.000 0.522 131 I N 0.293 120.878 120.570 0.025 0.000 3.718 131 I HA 0.314 4.484 4.170 0.000 0.000 0.297 131 I C 1.565 177.631 176.117 -0.086 0.000 1.220 131 I CA 0.005 61.309 61.300 0.006 0.000 1.381 131 I CB -0.087 37.935 38.000 0.036 0.000 1.238 131 I HN 0.162 nan 8.210 nan 0.000 0.448 132 I N 0.713 121.201 120.570 -0.136 0.000 2.194 132 I HA -0.384 3.786 4.170 0.000 0.000 0.246 132 I C 1.769 177.716 176.117 -0.282 0.000 1.093 132 I CA 2.132 63.194 61.300 -0.395 0.000 1.355 132 I CB -0.132 37.646 38.000 -0.370 0.000 1.046 132 I HN 0.252 nan 8.210 nan 0.000 0.413 133 D N -0.099 120.215 120.400 -0.144 0.000 2.106 133 D HA -0.243 4.397 4.640 0.000 0.000 0.191 133 D C 2.146 178.409 176.300 -0.062 0.000 0.997 133 D CA 2.110 56.053 54.000 -0.096 0.000 0.834 133 D CB -0.348 40.419 40.800 -0.055 0.000 0.956 133 D HN 0.299 nan 8.370 nan 0.000 0.448 134 T N -0.654 113.895 114.554 -0.007 0.000 2.904 134 T HA -0.063 4.287 4.350 0.000 0.000 0.267 134 T C 1.814 176.645 174.700 0.217 0.000 1.059 134 T CA 0.360 62.513 62.100 0.088 0.000 1.137 134 T CB -0.340 68.618 68.868 0.150 0.000 0.879 134 T HN 0.002 nan 8.240 nan 0.000 0.467 135 L N 1.083 122.355 121.223 0.081 0.000 2.079 135 L HA 0.020 4.360 4.340 0.000 0.000 0.210 135 L C 2.347 179.207 176.870 -0.016 0.000 1.081 135 L CA 2.013 56.841 54.840 -0.020 0.000 0.752 135 L CB -0.397 41.400 42.059 -0.436 0.000 0.896 135 L HN 0.323 nan 8.230 nan 0.000 0.433 136 E N -2.047 118.084 120.200 -0.116 0.000 2.216 136 E HA -0.136 4.214 4.350 0.000 0.000 0.192 136 E C 1.628 178.203 176.600 -0.041 0.000 0.988 136 E CA 1.165 57.494 56.400 -0.118 0.000 0.834 136 E CB 0.192 29.795 29.700 -0.160 0.000 0.772 136 E HN 0.414 nan 8.360 nan 0.000 0.479 137 T N -0.041 114.506 114.554 -0.013 0.000 3.015 137 T HA 0.281 4.631 4.350 0.000 0.000 0.250 137 T C 0.277 174.951 174.700 -0.043 0.000 1.057 137 T CA 0.348 62.431 62.100 -0.028 0.000 1.066 137 T CB 0.250 69.093 68.868 -0.041 0.000 0.959 137 T HN 0.209 nan 8.240 nan 0.000 0.488 138 A N 1.836 124.641 122.820 -0.025 0.000 2.591 138 A HA 0.288 4.608 4.320 0.000 0.000 0.244 138 A C 0.568 178.032 177.584 -0.201 0.000 1.031 138 A CA 0.683 52.588 52.037 -0.219 0.000 0.767 138 A CB -0.164 18.618 19.000 -0.364 0.000 0.942 138 A HN 0.245 nan 8.150 nan 0.000 0.514 139 T N 2.152 116.480 114.554 -0.377 0.000 2.895 139 T HA 0.662 5.012 4.350 0.000 0.000 0.283 139 T C -1.051 173.348 174.700 -0.502 0.000 1.014 139 T CA -0.143 61.808 62.100 -0.248 0.000 1.037 139 T CB 0.069 68.829 68.868 -0.179 0.000 1.006 139 T HN 0.361 nan 8.240 nan 0.000 0.468 140 F N 2.684 122.582 119.950 -0.087 0.000 2.536 140 F HA 0.479 5.007 4.527 0.000 0.000 0.322 140 F C 0.104 175.874 175.800 -0.051 0.000 1.144 140 F CA -1.088 56.863 58.000 -0.081 0.000 0.924 140 F CB 1.887 40.808 39.000 -0.132 0.000 1.181 140 F HN 0.286 nan 8.300 nan 0.000 0.438 141 K N 5.483 125.940 120.400 0.095 0.000 2.276 141 K HA 0.385 4.705 4.320 0.000 0.000 0.283 141 K C -2.442 174.196 176.600 0.064 0.000 1.044 141 K CA -1.807 54.504 56.287 0.041 0.000 0.944 141 K CB 0.650 33.136 32.500 -0.023 0.000 1.012 141 K HN 0.153 nan 8.250 nan 0.000 0.472 142 P HA 0.037 nan 4.420 nan 0.000 0.261 142 P C -1.281 176.036 177.300 0.029 0.000 1.203 142 P CA 0.083 63.203 63.100 0.033 0.000 0.767 142 P CB 0.948 32.658 31.700 0.017 0.000 0.785 143 A N 3.282 126.128 122.820 0.044 0.000 2.535 143 A HA 0.758 5.078 4.320 0.000 0.000 0.296 143 A C 0.108 177.726 177.584 0.057 0.000 1.248 143 A CA -0.384 51.680 52.037 0.045 0.000 0.686 143 A CB 0.581 19.612 19.000 0.052 0.000 1.315 143 A HN 0.475 nan 8.150 nan 0.000 0.460 144 G N 0.451 109.300 108.800 0.081 0.000 2.272 144 G HA2 0.382 4.342 3.960 0.000 0.000 0.247 144 G HA3 0.382 4.342 3.960 0.000 0.000 0.247 144 G C -0.187 174.796 174.900 0.137 0.000 1.272 144 G CA 0.895 46.065 45.100 0.117 0.000 0.921 144 G HN 0.766 nan 8.290 nan 0.000 0.495 145 D N 0.775 121.176 120.400 0.002 0.000 2.702 145 D HA -0.211 4.429 4.640 0.000 0.000 0.233 145 D C 1.484 177.721 176.300 -0.104 0.000 1.164 145 D CA 0.633 54.543 54.000 -0.149 0.000 0.638 145 D CB -0.333 40.271 40.800 -0.326 0.000 1.041 145 D HN 0.412 nan 8.370 nan 0.000 0.422 146 I N 0.327 120.858 120.570 -0.065 0.000 2.335 146 I HA -0.234 3.936 4.170 0.000 0.000 0.251 146 I C 2.158 178.140 176.117 -0.225 0.000 1.129 146 I CA 1.566 62.814 61.300 -0.086 0.000 1.402 146 I CB -0.150 37.827 38.000 -0.038 0.000 1.069 146 I HN 0.019 nan 8.210 nan 0.000 0.424 147 S N 0.299 115.879 115.700 -0.200 0.000 2.392 147 S HA -0.259 4.211 4.470 0.000 0.000 0.232 147 S C 2.074 176.552 174.600 -0.204 0.000 1.041 147 S CA 1.471 59.551 58.200 -0.200 0.000 1.026 147 S CB -0.352 62.770 63.200 -0.130 0.000 0.845 147 S HN 0.505 nan 8.310 nan 0.000 0.465 148 R N 0.112 120.485 120.500 -0.211 0.000 2.096 148 R HA -0.064 4.276 4.340 0.000 0.000 0.235 148 R C 2.653 178.814 176.300 -0.232 0.000 1.127 148 R CA 1.239 57.199 56.100 -0.233 0.000 0.968 148 R CB -0.693 29.319 30.300 -0.481 0.000 0.861 148 R HN 0.474 nan 8.270 nan 0.000 0.440 149 G N 1.120 109.724 108.800 -0.327 0.000 2.404 149 G HA2 -0.208 3.752 3.960 0.000 0.000 0.215 149 G HA3 -0.208 3.752 3.960 0.000 0.000 0.215 149 G C 1.422 175.984 174.900 -0.563 0.000 1.174 149 G CA 0.546 45.348 45.100 -0.496 0.000 0.780 149 G HN 0.159 nan 8.290 nan 0.000 0.537 150 I N 1.478 121.559 120.570 -0.816 0.000 2.361 150 I HA -0.055 4.115 4.170 0.000 0.000 0.251 150 I C 2.974 178.940 176.117 -0.251 0.000 1.133 150 I CA 0.873 61.666 61.300 -0.846 0.000 1.413 150 I CB -0.308 37.213 38.000 -0.799 0.000 1.073 150 I HN 0.230 nan 8.210 nan 0.000 0.424 151 G N 1.104 109.809 108.800 -0.159 0.000 2.402 151 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 151 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 151 G C 1.629 176.563 174.900 0.056 0.000 1.162 151 G CA 0.463 45.557 45.100 -0.011 0.000 0.777 151 G HN 0.284 nan 8.290 nan 0.000 0.539 152 L N -0.575 120.680 121.223 0.053 0.000 2.156 152 L HA 0.237 4.577 4.340 0.000 0.000 0.208 152 L C 2.327 179.320 176.870 0.206 0.000 1.095 152 L CA 1.188 56.098 54.840 0.117 0.000 0.770 152 L CB -0.584 41.544 42.059 0.114 0.000 0.914 152 L HN 0.164 nan 8.230 nan 0.000 0.439 153 F N -0.029 119.959 119.950 0.063 0.000 2.134 153 F HA -0.220 4.307 4.527 0.000 0.000 0.299 153 F C 2.239 178.137 175.800 0.164 0.000 1.097 153 F CA 1.897 59.981 58.000 0.140 0.000 1.264 153 F CB -0.274 38.859 39.000 0.222 0.000 1.001 153 F HN 0.094 nan 8.300 nan 0.000 0.479 154 M N -1.013 118.691 119.600 0.174 0.000 2.117 154 M HA -0.209 4.271 4.480 0.000 0.000 0.262 154 M C 2.058 178.456 176.300 0.164 0.000 1.065 154 M CA 1.388 56.806 55.300 0.196 0.000 1.114 154 M CB -0.599 32.109 32.600 0.181 0.000 1.361 154 M HN -0.025 nan 8.290 nan 0.000 0.408 155 V N -0.125 119.869 119.914 0.133 0.000 2.490 155 V HA -0.248 3.872 4.120 0.000 0.000 0.250 155 V C 2.298 178.451 176.094 0.098 0.000 1.061 155 V CA 2.080 64.472 62.300 0.152 0.000 1.064 155 V CB -0.877 31.087 31.823 0.235 0.000 0.670 155 V HN 0.511 nan 8.190 nan 0.000 0.461 156 T N 0.240 114.826 114.554 0.053 0.000 2.652 156 T HA -0.147 4.203 4.350 0.000 0.000 0.267 156 T C 1.924 176.627 174.700 0.005 0.000 1.039 156 T CA 1.747 63.840 62.100 -0.013 0.000 1.153 156 T CB -0.740 68.100 68.868 -0.048 0.000 0.863 156 T HN 0.622 nan 8.240 nan 0.000 0.428 157 G N 1.067 109.890 108.800 0.039 0.000 2.476 157 G HA2 -0.161 3.799 3.960 0.000 0.000 0.218 157 G HA3 -0.161 3.799 3.960 0.000 0.000 0.218 157 G C 1.816 176.980 174.900 0.439 0.000 1.164 157 G CA 1.159 46.433 45.100 0.290 0.000 0.768 157 G HN 0.602 nan 8.290 nan 0.000 0.560 158 A N 0.527 123.513 122.820 0.276 0.000 1.898 158 A HA 0.090 4.410 4.320 0.000 0.000 0.216 158 A C 2.423 179.976 177.584 -0.051 0.000 1.181 158 A CA 1.257 53.322 52.037 0.046 0.000 0.620 158 A CB -0.336 18.571 19.000 -0.156 0.000 0.819 158 A HN 0.388 nan 8.150 nan 0.000 0.442 159 I N -0.350 120.117 120.570 -0.171 0.000 2.163 159 I HA -0.257 3.913 4.170 0.000 0.000 0.243 159 I C 2.370 178.244 176.117 -0.405 0.000 1.085 159 I CA 1.456 62.426 61.300 -0.550 0.000 1.347 159 I CB -0.342 37.275 38.000 -0.639 0.000 1.044 159 I HN 0.172 nan 8.210 nan 0.000 0.408 160 V N -0.070 119.764 119.914 -0.133 0.000 2.295 160 V HA -0.332 3.788 4.120 0.000 0.000 0.246 160 V C 2.235 178.307 176.094 -0.037 0.000 1.049 160 V CA 1.970 64.256 62.300 -0.024 0.000 1.024 160 V CB -0.874 30.968 31.823 0.032 0.000 0.648 160 V HN 0.395 nan 8.190 nan 0.000 0.447 161 Y N 1.205 121.389 120.300 -0.193 0.000 2.097 161 Y HA -0.327 4.223 4.550 0.000 0.000 0.282 161 Y C 2.449 178.321 175.900 -0.046 0.000 1.152 161 Y CA 2.420 60.347 58.100 -0.288 0.000 1.136 161 Y CB -0.194 38.147 38.460 -0.199 0.000 0.975 161 Y HN 0.407 nan 8.280 nan 0.000 0.498 162 D N -0.945 119.622 120.400 0.279 0.000 2.077 162 D HA -0.220 4.420 4.640 0.000 0.000 0.197 162 D C 1.813 178.367 176.300 0.424 0.000 0.983 162 D CA 1.984 56.196 54.000 0.353 0.000 0.841 162 D CB -0.522 40.464 40.800 0.310 0.000 0.992 162 D HN 0.353 nan 8.370 nan 0.000 0.450 163 W N 0.333 121.738 121.300 0.176 0.000 2.364 163 W HA -0.016 4.644 4.660 0.000 0.000 0.281 163 W C 1.679 178.369 176.519 0.285 0.000 1.219 163 W CA 0.105 57.571 57.345 0.202 0.000 1.220 163 W CB -1.262 28.310 29.460 0.187 0.000 1.127 163 W HN 0.155 nan 8.180 nan 0.000 0.556 164 C N -0.919 118.608 119.300 0.378 0.000 2.470 164 C HA 0.172 4.632 4.460 0.000 0.000 0.311 164 C C 1.968 176.965 174.990 0.011 0.000 1.387 164 C CA -1.140 57.993 59.018 0.191 0.000 1.783 164 C CB -2.378 25.296 27.740 -0.111 0.000 2.416 164 C HN 0.253 nan 8.230 nan 0.000 0.558 165 Y N 3.620 123.882 120.300 -0.063 0.000 2.053 165 Y HA -0.246 4.304 4.550 0.000 0.000 0.277 165 Y C 2.133 177.907 175.900 -0.211 0.000 1.159 165 Y CA 2.522 60.436 58.100 -0.309 0.000 1.125 165 Y CB 0.001 38.135 38.460 -0.544 0.000 0.969 165 Y HN 0.479 nan 8.280 nan 0.000 0.492 166 D N -0.827 119.622 120.400 0.082 0.000 2.348 166 D HA -0.102 4.538 4.640 0.000 0.000 0.248 166 D C 0.915 177.182 176.300 -0.055 0.000 1.142 166 D CA 0.486 54.506 54.000 0.033 0.000 0.904 166 D CB -0.254 40.651 40.800 0.176 0.000 0.901 166 D HN 0.455 nan 8.370 nan 0.000 0.523 167 Q N -0.178 119.522 119.800 -0.167 0.000 2.217 167 Q HA 0.253 4.593 4.340 0.000 0.000 0.217 167 Q C 0.549 176.402 176.000 -0.245 0.000 0.844 167 Q CA -0.179 55.500 55.803 -0.206 0.000 0.957 167 Q CB 1.274 29.817 28.738 -0.324 0.000 1.127 167 Q HN 0.378 nan 8.270 nan 0.000 0.503 168 L N 2.249 123.260 121.223 -0.355 0.000 2.360 168 L HA 0.133 4.473 4.340 0.000 0.000 0.276 168 L C 0.469 177.179 176.870 -0.266 0.000 1.121 168 L CA 0.074 54.693 54.840 -0.368 0.000 0.845 168 L CB 0.512 42.197 42.059 -0.625 0.000 1.143 168 L HN -0.225 nan 8.230 nan 0.000 0.452 169 K N 5.057 125.359 120.400 -0.164 0.000 2.258 169 K HA 0.107 4.427 4.320 0.000 0.000 0.264 169 K C -1.419 175.121 176.600 -0.101 0.000 1.007 169 K CA -1.405 54.816 56.287 -0.109 0.000 0.941 169 K CB 0.501 32.961 32.500 -0.067 0.000 0.966 169 K HN 0.334 nan 8.250 nan 0.000 0.480 170 P HA -0.218 nan 4.420 nan 0.000 0.214 170 P C 0.265 177.557 177.300 -0.013 0.000 1.163 170 P CA 1.711 64.785 63.100 -0.042 0.000 0.889 170 P CB 0.156 31.845 31.700 -0.020 0.000 0.790 171 E N -0.203 119.992 120.200 -0.009 0.000 2.418 171 E HA -0.106 4.244 4.350 0.000 0.000 0.197 171 E C 1.889 178.499 176.600 0.018 0.000 1.026 171 E CA 0.603 57.005 56.400 0.005 0.000 0.862 171 E CB -0.520 29.178 29.700 -0.004 0.000 0.799 171 E HN 0.480 nan 8.360 nan 0.000 0.518 172 E N 0.856 121.067 120.200 0.019 0.000 2.158 172 E HA -0.081 4.269 4.350 0.000 0.000 0.191 172 E C 1.556 178.276 176.600 0.200 0.000 0.982 172 E CA 0.628 57.077 56.400 0.081 0.000 0.823 172 E CB 0.089 29.820 29.700 0.053 0.000 0.766 172 E HN 0.181 nan 8.360 nan 0.000 0.468 173 K N 0.221 120.689 120.400 0.114 0.000 2.062 173 K HA -0.047 4.273 4.320 0.000 0.000 0.205 173 K C 2.234 178.996 176.600 0.269 0.000 1.051 173 K CA 1.473 57.902 56.287 0.236 0.000 0.941 173 K CB -0.076 32.496 32.500 0.119 0.000 0.719 173 K HN -0.004 nan 8.250 nan 0.000 0.440 174 T N 1.125 115.761 114.554 0.137 0.000 2.635 174 T HA -0.186 4.164 4.350 0.000 0.000 0.267 174 T C 1.854 176.580 174.700 0.045 0.000 1.040 174 T CA 1.418 63.563 62.100 0.075 0.000 1.156 174 T CB -0.211 68.678 68.868 0.035 0.000 0.863 174 T HN 0.225 nan 8.240 nan 0.000 0.430 175 R N -0.214 120.307 120.500 0.035 0.000 2.083 175 R HA -0.026 4.314 4.340 0.000 0.000 0.237 175 R C 2.302 178.537 176.300 -0.109 0.000 1.137 175 R CA 1.500 57.567 56.100 -0.056 0.000 0.951 175 R CB -0.597 29.647 30.300 -0.093 0.000 0.851 175 R HN 0.326 nan 8.270 nan 0.000 0.434 176 F N 0.421 120.337 119.950 -0.057 0.000 2.065 176 F HA -0.300 4.227 4.527 0.000 0.000 0.298 176 F C 2.484 178.151 175.800 -0.222 0.000 1.112 176 F CA 1.582 59.496 58.000 -0.145 0.000 1.212 176 F CB -0.572 38.578 39.000 0.249 0.000 0.975 176 F HN -0.198 nan 8.300 nan 0.000 0.476 177 V N -0.046 120.005 119.914 0.228 0.000 2.282 177 V HA -0.380 3.740 4.120 0.000 0.000 0.249 177 V C 2.321 178.360 176.094 -0.093 0.000 1.057 177 V CA 2.117 64.483 62.300 0.111 0.000 1.032 177 V CB -0.608 31.199 31.823 -0.026 0.000 0.645 177 V HN 0.297 nan 8.190 nan 0.000 0.447 178 K N -0.506 119.810 120.400 -0.141 0.000 2.057 178 K HA -0.084 4.236 4.320 0.000 0.000 0.206 178 K C 2.317 178.819 176.600 -0.164 0.000 1.050 178 K CA 1.262 57.447 56.287 -0.171 0.000 0.935 178 K CB -0.356 32.065 32.500 -0.132 0.000 0.715 178 K HN 0.480 nan 8.250 nan 0.000 0.439 179 A N 0.755 123.440 122.820 -0.224 0.000 1.908 179 A HA -0.164 4.156 4.320 0.000 0.000 0.218 179 A C 1.946 179.410 177.584 -0.200 0.000 1.181 179 A CA 1.320 53.199 52.037 -0.265 0.000 0.627 179 A CB -0.786 17.938 19.000 -0.459 0.000 0.818 179 A HN 0.250 nan 8.150 nan 0.000 0.445 180 F N -0.514 119.376 119.950 -0.100 0.000 2.113 180 F HA -0.166 4.361 4.527 0.000 0.000 0.297 180 F C 2.483 178.168 175.800 -0.192 0.000 1.103 180 F CA 1.106 59.039 58.000 -0.112 0.000 1.248 180 F CB -0.369 38.569 39.000 -0.104 0.000 0.999 180 F HN 0.035 nan 8.300 nan 0.000 0.475 181 V N 0.481 120.344 119.914 -0.084 0.000 2.252 181 V HA -0.370 3.750 4.120 0.000 0.000 0.249 181 V C 2.455 178.463 176.094 -0.144 0.000 1.056 181 V CA 2.260 64.408 62.300 -0.253 0.000 1.022 181 V CB -0.698 30.980 31.823 -0.242 0.000 0.641 181 V HN 0.281 nan 8.190 nan 0.000 0.445 182 R N -0.453 120.002 120.500 -0.076 0.000 2.096 182 R HA -0.198 4.142 4.340 0.000 0.000 0.240 182 R C 2.276 178.580 176.300 0.007 0.000 1.139 182 R CA 1.953 58.037 56.100 -0.026 0.000 0.952 182 R CB -0.306 29.978 30.300 -0.027 0.000 0.854 182 R HN 0.469 nan 8.270 nan 0.000 0.436 183 L N -0.233 121.005 121.223 0.025 0.000 2.072 183 L HA -0.055 4.285 4.340 0.000 0.000 0.205 183 L C 2.695 179.577 176.870 0.020 0.000 1.079 183 L CA 1.069 55.944 54.840 0.060 0.000 0.752 183 L CB -0.498 41.642 42.059 0.136 0.000 0.906 183 L HN 0.339 nan 8.230 nan 0.000 0.436 184 A N -0.068 122.743 122.820 -0.014 0.000 1.933 184 A HA -0.217 4.103 4.320 0.000 0.000 0.218 184 A C 2.137 179.754 177.584 0.054 0.000 1.175 184 A CA 1.415 53.438 52.037 -0.022 0.000 0.628 184 A CB -0.370 18.507 19.000 -0.204 0.000 0.814 184 A HN 0.277 nan 8.150 nan 0.000 0.444 185 K N -1.240 119.185 120.400 0.042 0.000 2.585 185 K HA 0.074 4.394 4.320 0.000 0.000 0.194 185 K C 1.358 178.004 176.600 0.077 0.000 1.037 185 K CA 0.682 57.037 56.287 0.114 0.000 0.964 185 K CB -0.180 32.377 32.500 0.095 0.000 0.787 185 K HN 0.565 nan 8.250 nan 0.000 0.488 186 M N -0.172 119.453 119.600 0.041 0.000 2.653 186 M HA 0.099 4.579 4.480 0.000 0.000 0.259 186 M C 0.173 176.467 176.300 -0.009 0.000 1.244 186 M CA 0.057 55.362 55.300 0.008 0.000 1.163 186 M CB 0.429 33.013 32.600 -0.027 0.000 1.309 186 M HN -0.025 nan 8.290 nan 0.000 0.509 187 L N 0.745 121.967 121.223 -0.002 0.000 2.492 187 L HA -0.072 4.268 4.340 0.000 0.000 0.280 187 L C 1.590 178.475 176.870 0.026 0.000 1.240 187 L CA 0.254 55.091 54.840 -0.004 0.000 0.831 187 L CB 0.113 42.189 42.059 0.029 0.000 1.100 187 L HN 0.245 nan 8.230 nan 0.000 0.505 188 E N 0.643 120.853 120.200 0.017 0.000 2.106 188 E HA -0.188 4.162 4.350 0.000 0.000 0.192 188 E C 1.964 178.604 176.600 0.066 0.000 0.984 188 E CA 1.490 57.911 56.400 0.035 0.000 0.806 188 E CB 0.047 29.762 29.700 0.025 0.000 0.750 188 E HN 0.913 nan 8.360 nan 0.000 0.458 189 C N 0.009 119.359 119.300 0.084 0.000 2.443 189 C HA 0.377 4.837 4.460 0.000 0.000 0.290 189 C C 1.371 176.414 174.990 0.089 0.000 1.476 189 C CA -0.121 58.954 59.018 0.095 0.000 1.772 189 C CB -1.745 26.065 27.740 0.117 0.000 1.714 189 C HN 0.550 nan 8.230 nan 0.000 0.562 190 G N -0.585 108.273 108.800 0.097 0.000 2.814 190 G HA2 -0.093 3.867 3.960 0.000 0.000 0.677 190 G HA3 -0.093 3.867 3.960 0.000 0.000 0.677 190 G C -1.126 173.880 174.900 0.177 0.000 1.429 190 G CA 0.024 45.190 45.100 0.110 0.000 0.868 190 G HN 1.329 nan 8.290 nan 0.000 0.553 191 Y N 1.933 122.267 120.300 0.056 0.000 2.315 191 Y HA 0.561 5.111 4.550 0.000 0.000 0.324 191 Y C -1.701 174.241 175.900 0.070 0.000 1.062 191 Y CA -1.447 56.695 58.100 0.070 0.000 1.159 191 Y CB 1.766 40.278 38.460 0.086 0.000 1.145 191 Y HN 0.737 nan 8.280 nan 0.000 0.442 192 P HA 0.168 nan 4.420 nan 0.000 0.268 192 P C -2.854 174.349 177.300 -0.162 0.000 1.208 192 P CA -1.343 61.447 63.100 -0.515 0.000 0.777 192 P CB 0.513 32.017 31.700 -0.327 0.000 0.875 193 P HA 0.051 nan 4.420 nan 0.000 0.238 193 P C 0.615 177.932 177.300 0.029 0.000 1.794 193 P CA -0.058 63.060 63.100 0.031 0.000 1.088 193 P CB -0.260 31.485 31.700 0.074 0.000 1.923 194 V N -1.397 118.528 119.914 0.018 0.000 3.477 194 V HA 0.294 4.414 4.120 0.000 0.000 0.297 194 V C 0.532 176.639 176.094 0.023 0.000 1.433 194 V CA 0.163 62.471 62.300 0.014 0.000 1.052 194 V CB -0.199 31.619 31.823 -0.008 0.000 0.895 194 V HN -0.006 nan 8.190 nan 0.000 0.438 195 K N 1.104 121.526 120.400 0.037 0.000 2.177 195 K HA 0.467 4.787 4.320 0.000 0.000 0.238 195 K C -0.104 176.520 176.600 0.041 0.000 1.015 195 K CA 0.011 56.318 56.287 0.034 0.000 0.922 195 K CB 1.232 33.757 32.500 0.041 0.000 1.127 195 K HN 0.345 nan 8.250 nan 0.000 0.469 196 D N -0.420 119.995 120.400 0.025 0.000 4.136 196 D HA -0.175 4.465 4.640 0.000 0.000 0.291 196 D C -1.066 175.230 176.300 -0.006 0.000 2.238 196 D CA 1.281 55.289 54.000 0.014 0.000 1.141 196 D CB 0.154 40.984 40.800 0.050 0.000 1.027 196 D HN 0.341 nan 8.370 nan 0.000 1.223 197 K N -0.668 119.720 120.400 -0.020 0.000 2.281 197 K HA 0.629 4.949 4.320 0.000 0.000 0.242 197 K C 0.063 176.608 176.600 -0.092 0.000 0.971 197 K CA -0.652 55.597 56.287 -0.063 0.000 0.834 197 K CB 1.718 34.169 32.500 -0.082 0.000 1.181 197 K HN 0.315 nan 8.250 nan 0.000 0.435 198 S N 0.278 115.850 115.700 -0.213 0.000 2.506 198 S HA 0.146 4.616 4.470 0.000 0.000 0.219 198 S C 1.763 176.159 174.600 -0.341 0.000 1.031 198 S CA 0.014 57.884 58.200 -0.551 0.000 0.911 198 S CB 0.068 62.911 63.200 -0.594 0.000 0.812 198 S HN 0.491 nan 8.310 nan 0.000 0.497 199 I N 1.201 121.707 120.570 -0.106 0.000 2.927 199 I HA 0.127 4.297 4.170 0.000 0.000 0.268 199 I C 0.772 177.023 176.117 0.223 0.000 1.153 199 I CA 0.118 61.478 61.300 0.100 0.000 1.459 199 I CB 0.014 38.088 38.000 0.123 0.000 1.149 199 I HN 0.123 nan 8.210 nan 0.000 0.443 200 V N -1.679 118.307 119.914 0.120 0.000 3.139 200 V HA 0.986 5.106 4.120 0.000 0.000 0.310 200 V C 0.273 176.392 176.094 0.041 0.000 1.260 200 V CA -0.337 62.050 62.300 0.144 0.000 1.064 200 V CB 0.583 32.475 31.823 0.114 0.000 1.160 200 V HN 0.425 nan 8.190 nan 0.000 0.470 201 G N -0.673 108.108 108.800 -0.032 0.000 2.698 201 G HA2 -0.181 3.779 3.960 0.000 0.000 0.225 201 G HA3 -0.181 3.779 3.960 0.000 0.000 0.225 201 G C 0.005 174.870 174.900 -0.058 0.000 1.345 201 G CA 0.748 45.744 45.100 -0.173 0.000 0.871 201 G HN 1.321 nan 8.290 nan 0.000 0.540 202 H N 0.060 119.126 119.070 -0.007 0.000 2.353 202 H HA 0.119 4.675 4.556 0.000 0.000 0.300 202 H C 3.043 178.422 175.328 0.086 0.000 1.090 202 H CA 1.949 58.017 56.048 0.033 0.000 1.327 202 H CB -0.032 29.733 29.762 0.006 0.000 1.383 202 H HN 0.788 nan 8.280 nan 0.000 0.508 203 A N 0.285 123.231 122.820 0.211 0.000 2.186 203 A HA -0.121 4.199 4.320 0.000 0.000 0.219 203 A C 1.895 179.665 177.584 0.310 0.000 1.159 203 A CA 1.422 53.594 52.037 0.226 0.000 0.680 203 A CB -0.245 18.876 19.000 0.202 0.000 0.787 203 A HN 0.270 nan 8.150 nan 0.000 0.467 204 S N -0.429 115.425 115.700 0.257 0.000 2.679 204 S HA 0.187 4.657 4.470 0.000 0.000 0.233 204 S C 0.573 175.296 174.600 0.205 0.000 0.951 204 S CA -0.073 58.309 58.200 0.303 0.000 0.973 204 S CB -0.008 63.350 63.200 0.264 0.000 0.778 204 S HN 0.713 nan 8.310 nan 0.000 0.477 205 E N -0.524 119.767 120.200 0.153 0.000 3.371 205 E HA 0.236 4.586 4.350 0.000 0.000 0.263 205 E C 0.411 176.999 176.600 -0.021 0.000 0.652 205 E CA -0.699 55.704 56.400 0.005 0.000 1.779 205 E CB 0.106 29.852 29.700 0.076 0.000 1.956 205 E HN 0.326 nan 8.360 nan 0.000 0.401 206 W N 1.689 123.039 121.300 0.084 0.000 2.388 206 W HA -0.125 4.535 4.660 0.000 0.000 0.294 206 W C 2.436 178.964 176.519 0.015 0.000 1.212 206 W CA 1.016 58.374 57.345 0.021 0.000 1.271 206 W CB -0.294 29.200 29.460 0.056 0.000 1.126 206 W HN 0.435 nan 8.180 nan 0.000 0.535 207 M N -1.030 118.730 119.600 0.266 0.000 2.149 207 M HA -0.113 4.367 4.480 0.000 0.000 0.261 207 M C 1.509 177.879 176.300 0.116 0.000 1.064 207 M CA 1.981 57.383 55.300 0.169 0.000 1.102 207 M CB -0.947 31.733 32.600 0.133 0.000 1.369 207 M HN 0.093 nan 8.290 nan 0.000 0.408 208 I N -0.335 120.287 120.570 0.087 0.000 2.947 208 I HA 0.001 4.171 4.170 0.000 0.000 0.263 208 I C 2.545 178.631 176.117 -0.051 0.000 1.130 208 I CA 0.469 61.776 61.300 0.012 0.000 1.448 208 I CB -0.157 37.817 38.000 -0.044 0.000 1.222 208 I HN 0.205 nan 8.210 nan 0.000 0.453 209 M N 0.126 119.694 119.600 -0.054 0.000 2.296 209 M HA -0.140 4.340 4.480 0.000 0.000 0.265 209 M C 2.335 178.624 176.300 -0.019 0.000 1.064 209 M CA 1.679 56.917 55.300 -0.103 0.000 1.109 209 M CB -0.131 32.457 32.600 -0.021 0.000 1.396 209 M HN 0.212 nan 8.290 nan 0.000 0.430 210 R N -0.125 120.405 120.500 0.050 0.000 2.107 210 R HA -0.015 4.325 4.340 0.000 0.000 0.195 210 R C 1.437 177.820 176.300 0.138 0.000 1.214 210 R CA 0.518 56.678 56.100 0.100 0.000 1.129 210 R CB 0.150 30.418 30.300 -0.053 0.000 1.045 210 R HN 0.101 nan 8.270 nan 0.000 0.489 211 D N 1.481 121.961 120.400 0.134 0.000 2.081 211 D HA -0.181 4.459 4.640 0.000 0.000 0.194 211 D C 1.874 178.221 176.300 0.078 0.000 0.986 211 D CA 1.015 55.088 54.000 0.122 0.000 0.837 211 D CB -0.449 40.423 40.800 0.121 0.000 0.985 211 D HN 0.116 nan 8.370 nan 0.000 0.448 212 L N 0.668 121.932 121.223 0.068 0.000 2.046 212 L HA -0.097 4.243 4.340 0.000 0.000 0.208 212 L C 2.250 179.141 176.870 0.034 0.000 1.077 212 L CA 1.187 56.059 54.840 0.054 0.000 0.747 212 L CB -0.911 41.199 42.059 0.084 0.000 0.896 212 L HN 0.045 nan 8.230 nan 0.000 0.432 213 L N -1.344 119.891 121.223 0.020 0.000 2.046 213 L HA -0.171 4.169 4.340 0.000 0.000 0.208 213 L C 2.457 179.364 176.870 0.062 0.000 1.077 213 L CA 1.936 56.783 54.840 0.012 0.000 0.747 213 L CB -0.801 41.218 42.059 -0.067 0.000 0.896 213 L HN 0.225 nan 8.230 nan 0.000 0.432 214 S N -1.033 114.708 115.700 0.069 0.000 2.370 214 S HA -0.164 4.306 4.470 0.000 0.000 0.226 214 S C 1.921 176.471 174.600 -0.082 0.000 1.033 214 S CA 1.496 59.716 58.200 0.033 0.000 1.011 214 S CB -0.434 62.848 63.200 0.136 0.000 0.852 214 S HN 0.368 nan 8.310 nan 0.000 0.457 215 V N 1.453 121.280 119.914 -0.145 0.000 2.307 215 V HA -0.095 4.025 4.120 0.000 0.000 0.245 215 V C 2.650 178.590 176.094 -0.256 0.000 1.045 215 V CA 1.877 63.938 62.300 -0.398 0.000 1.024 215 V CB -1.472 30.000 31.823 -0.586 0.000 0.651 215 V HN 0.580 nan 8.190 nan 0.000 0.449 216 G N -0.382 108.395 108.800 -0.039 0.000 2.450 216 G HA2 -0.222 3.738 3.960 0.000 0.000 0.220 216 G HA3 -0.222 3.738 3.960 0.000 0.000 0.220 216 G C 1.578 176.608 174.900 0.217 0.000 1.130 216 G CA 0.962 46.148 45.100 0.143 0.000 0.760 216 G HN 0.472 nan 8.290 nan 0.000 0.557 217 I N 1.045 121.711 120.570 0.161 0.000 2.133 217 I HA -0.143 4.027 4.170 0.000 0.000 0.238 217 I C 3.308 179.437 176.117 0.020 0.000 1.074 217 I CA 0.987 62.317 61.300 0.050 0.000 1.342 217 I CB -0.262 37.762 38.000 0.040 0.000 1.053 217 I HN 0.247 nan 8.210 nan 0.000 0.404 218 A N 1.289 124.101 122.820 -0.014 0.000 1.908 218 A HA -0.199 4.121 4.320 0.000 0.000 0.218 218 A C 2.045 179.701 177.584 0.121 0.000 1.181 218 A CA 2.056 54.131 52.037 0.064 0.000 0.627 218 A CB -0.938 18.027 19.000 -0.059 0.000 0.818 218 A HN 0.656 nan 8.150 nan 0.000 0.445 219 I N -4.717 115.796 120.570 -0.095 0.000 3.891 219 I HA 0.283 4.453 4.170 0.000 0.000 0.331 219 I C 1.598 177.810 176.117 0.159 0.000 1.406 219 I CA -0.190 61.064 61.300 -0.077 0.000 1.139 219 I CB -0.210 37.585 38.000 -0.343 0.000 1.056 219 I HN 0.224 nan 8.210 nan 0.000 0.399 220 Y N 2.530 122.858 120.300 0.047 0.000 2.151 220 Y HA -0.296 4.254 4.550 0.000 0.000 0.284 220 Y C 1.896 177.832 175.900 0.060 0.000 1.166 220 Y CA 2.119 60.221 58.100 0.003 0.000 1.163 220 Y CB -0.078 38.284 38.460 -0.163 0.000 0.974 220 Y HN 0.301 nan 8.280 nan 0.000 0.511 221 D N -0.191 120.332 120.400 0.205 0.000 2.182 221 D HA -0.150 4.490 4.640 0.000 0.000 0.201 221 D C 1.800 178.178 176.300 0.131 0.000 0.986 221 D CA 1.766 55.868 54.000 0.172 0.000 0.847 221 D CB -0.084 40.890 40.800 0.289 0.000 0.942 221 D HN 0.478 nan 8.370 nan 0.000 0.467 222 E N -1.311 119.011 120.200 0.203 0.000 2.206 222 E HA 0.169 4.519 4.350 0.000 0.000 0.195 222 E C -0.031 176.714 176.600 0.243 0.000 0.935 222 E CA 0.105 56.638 56.400 0.223 0.000 0.875 222 E CB 0.297 30.178 29.700 0.303 0.000 0.841 222 E HN 0.097 nan 8.360 nan 0.000 0.477 223 F N 1.258 121.211 119.950 0.004 0.000 2.686 223 F HA 0.355 4.882 4.527 0.000 0.000 0.365 223 F C -2.299 173.450 175.800 -0.084 0.000 1.196 223 F CA -2.829 55.163 58.000 -0.014 0.000 1.198 223 F CB 1.582 40.607 39.000 0.042 0.000 1.454 223 F HN -0.097 nan 8.300 nan 0.000 0.539 224 P HA -0.179 nan 4.420 nan 0.000 0.218 224 P C 1.625 178.738 177.300 -0.312 0.000 1.149 224 P CA 1.112 63.864 63.100 -0.579 0.000 0.817 224 P CB 0.220 31.524 31.700 -0.659 0.000 0.785 225 E N -0.434 119.439 120.200 -0.545 0.000 2.113 225 E HA -0.287 4.063 4.350 0.000 0.000 0.210 225 E C 1.923 178.432 176.600 -0.152 0.000 1.040 225 E CA 1.707 57.834 56.400 -0.456 0.000 0.847 225 E CB -0.533 28.657 29.700 -0.850 0.000 0.755 225 E HN 0.123 nan 8.360 nan 0.000 0.459 226 M N -0.520 119.039 119.600 -0.068 0.000 2.080 226 M HA -0.242 4.238 4.480 0.000 0.000 0.260 226 M C 2.223 178.654 176.300 0.217 0.000 1.068 226 M CA 1.983 57.437 55.300 0.256 0.000 1.109 226 M CB -0.332 32.461 32.600 0.323 0.000 1.342 226 M HN 0.286 nan 8.290 nan 0.000 0.405 227 Y N 1.013 121.379 120.300 0.109 0.000 2.114 227 Y HA -0.292 4.258 4.550 0.000 0.000 0.284 227 Y C 2.011 177.977 175.900 0.111 0.000 1.143 227 Y CA 2.133 60.314 58.100 0.134 0.000 1.135 227 Y CB -0.451 38.155 38.460 0.244 0.000 0.980 227 Y HN 0.342 nan 8.280 nan 0.000 0.499 228 N N 0.217 119.059 118.700 0.237 0.000 2.192 228 N HA -0.188 4.552 4.740 0.000 0.000 0.188 228 N C 1.742 177.251 175.510 -0.002 0.000 1.013 228 N CA 1.322 54.436 53.050 0.105 0.000 0.863 228 N CB -0.357 38.186 38.487 0.093 0.000 0.990 228 N HN 0.353 nan 8.380 nan 0.000 0.430 229 L N 0.304 121.525 121.223 -0.003 0.000 2.068 229 L HA 0.088 4.428 4.340 0.000 0.000 0.204 229 L C 2.224 179.086 176.870 -0.014 0.000 1.076 229 L CA 1.017 55.840 54.840 -0.028 0.000 0.753 229 L CB -1.369 40.642 42.059 -0.079 0.000 0.910 229 L HN 0.064 nan 8.230 nan 0.000 0.439 230 A N -0.016 122.801 122.820 -0.005 0.000 1.841 230 A HA -0.100 4.220 4.320 0.000 0.000 0.214 230 A C 2.492 180.028 177.584 -0.080 0.000 1.195 230 A CA 1.780 53.802 52.037 -0.026 0.000 0.611 230 A CB -0.822 18.172 19.000 -0.011 0.000 0.835 230 A HN 0.369 nan 8.150 nan 0.000 0.443 231 A N -0.444 122.225 122.820 -0.253 0.000 1.908 231 A HA 0.071 4.391 4.320 0.000 0.000 0.218 231 A C 2.439 180.098 177.584 0.124 0.000 1.181 231 A CA 2.150 54.076 52.037 -0.186 0.000 0.627 231 A CB -1.562 16.951 19.000 -0.813 0.000 0.818 231 A HN 0.825 nan 8.150 nan 0.000 0.445 232 G N -0.575 108.234 108.800 0.015 0.000 2.553 232 G HA2 -0.337 3.623 3.960 0.000 0.000 0.218 232 G HA3 -0.337 3.623 3.960 0.000 0.000 0.218 232 G C 1.767 176.731 174.900 0.108 0.000 1.195 232 G CA 1.255 46.396 45.100 0.068 0.000 0.779 232 G HN 0.567 nan 8.290 nan 0.000 0.577 233 R N -0.730 119.824 120.500 0.090 0.000 2.091 233 R HA -0.085 4.255 4.340 0.000 0.000 0.238 233 R C 2.328 178.752 176.300 0.206 0.000 1.136 233 R CA 1.549 57.729 56.100 0.133 0.000 0.959 233 R CB -0.452 29.933 30.300 0.142 0.000 0.856 233 R HN 0.389 nan 8.270 nan 0.000 0.437 234 F N 0.337 120.270 119.950 -0.029 0.000 2.046 234 F HA -0.205 4.322 4.527 0.000 0.000 0.297 234 F C 1.600 177.308 175.800 -0.153 0.000 1.123 234 F CA 1.692 59.593 58.000 -0.165 0.000 1.199 234 F CB -0.541 38.225 39.000 -0.391 0.000 0.972 234 F HN -0.055 nan 8.300 nan 0.000 0.474 235 F N 0.672 120.564 119.950 -0.098 0.000 2.186 235 F HA -0.103 4.424 4.527 0.000 0.000 0.299 235 F C 2.442 178.144 175.800 -0.163 0.000 1.090 235 F CA 1.592 59.476 58.000 -0.194 0.000 1.307 235 F CB -0.629 38.353 39.000 -0.030 0.000 1.019 235 F HN -0.129 nan 8.300 nan 0.000 0.489 236 K N -0.308 120.146 120.400 0.089 0.000 2.097 236 K HA -0.127 4.193 4.320 0.000 0.000 0.205 236 K C 1.573 178.146 176.600 -0.044 0.000 1.050 236 K CA 1.618 57.920 56.287 0.024 0.000 0.938 236 K CB 0.042 32.561 32.500 0.032 0.000 0.718 236 K HN 0.355 nan 8.250 nan 0.000 0.442 237 E N -1.860 118.309 120.200 -0.052 0.000 2.756 237 E HA 0.066 4.416 4.350 0.000 0.000 0.192 237 E C 1.849 178.349 176.600 -0.168 0.000 1.022 237 E CA -0.227 56.113 56.400 -0.100 0.000 1.224 237 E CB 0.024 29.679 29.700 -0.074 0.000 1.252 237 E HN 0.284 nan 8.360 nan 0.000 0.494 238 H N 1.265 120.192 119.070 -0.238 0.000 2.387 238 H HA -0.068 4.488 4.556 0.000 0.000 0.299 238 H C 2.333 177.402 175.328 -0.431 0.000 1.099 238 H CA 0.966 56.872 56.048 -0.236 0.000 1.315 238 H CB 0.273 29.974 29.762 -0.102 0.000 1.380 238 H HN 0.093 nan 8.280 nan 0.000 0.513 239 L N 0.518 121.323 121.223 -0.697 0.000 2.023 239 L HA -0.142 4.198 4.340 0.000 0.000 0.205 239 L C 2.562 179.190 176.870 -0.403 0.000 1.073 239 L CA 0.801 55.164 54.840 -0.795 0.000 0.745 239 L CB -0.266 41.170 42.059 -1.038 0.000 0.900 239 L HN 0.070 nan 8.230 nan 0.000 0.435 240 V N 0.392 120.136 119.914 -0.284 0.000 2.255 240 V HA -0.336 3.784 4.120 0.000 0.000 0.247 240 V C 2.813 178.843 176.094 -0.107 0.000 1.051 240 V CA 1.912 64.113 62.300 -0.164 0.000 1.018 240 V CB -0.973 30.766 31.823 -0.140 0.000 0.641 240 V HN 0.575 nan 8.190 nan 0.000 0.445 241 A N -0.413 122.344 122.820 -0.104 0.000 1.902 241 A HA -0.246 4.074 4.320 0.000 0.000 0.217 241 A C 2.349 180.007 177.584 0.123 0.000 1.181 241 A CA 2.056 54.110 52.037 0.029 0.000 0.623 241 A CB -0.483 18.532 19.000 0.026 0.000 0.818 241 A HN 0.519 nan 8.150 nan 0.000 0.443 242 R N -0.500 119.911 120.500 -0.149 0.000 2.073 242 R HA -0.044 4.296 4.340 0.000 0.000 0.229 242 R C 1.760 177.510 176.300 -0.917 0.000 1.120 242 R CA 1.288 56.971 56.100 -0.695 0.000 0.967 242 R CB -0.247 29.649 30.300 -0.672 0.000 0.862 242 R HN 0.472 nan 8.270 nan 0.000 0.436 243 N N -0.268 118.150 118.700 -0.470 0.000 2.364 243 N HA -0.195 4.545 4.740 0.000 0.000 0.183 243 N C 1.111 176.586 175.510 -0.059 0.000 1.022 243 N CA 0.826 53.742 53.050 -0.224 0.000 0.883 243 N CB -0.215 38.204 38.487 -0.113 0.000 0.965 243 N HN 0.331 nan 8.380 nan 0.000 0.438 244 W N 1.500 122.682 121.300 -0.197 0.000 2.381 244 W HA -0.136 4.524 4.660 0.000 0.000 0.301 244 W C 1.669 178.169 176.519 -0.033 0.000 1.205 244 W CA 1.168 58.454 57.345 -0.099 0.000 1.285 244 W CB -0.467 28.941 29.460 -0.086 0.000 1.133 244 W HN 0.101 nan 8.180 nan 0.000 0.521 245 F N -3.407 116.489 119.950 -0.091 0.000 2.717 245 F HA 0.199 4.726 4.527 0.000 0.000 0.295 245 F C 1.564 177.388 175.800 0.040 0.000 1.117 245 F CA -0.252 57.574 58.000 -0.290 0.000 1.361 245 F CB -1.542 37.302 39.000 -0.259 0.000 1.112 245 F HN -0.202 nan 8.300 nan 0.000 0.594 246 Y N 2.440 122.458 120.300 -0.471 0.000 2.181 246 Y HA -0.076 4.474 4.550 0.000 0.000 0.284 246 Y C -0.682 175.221 175.900 0.004 0.000 1.179 246 Y CA 0.905 58.871 58.100 -0.223 0.000 1.179 246 Y CB -2.350 36.010 38.460 -0.167 0.000 0.973 246 Y HN 0.140 nan 8.280 nan 0.000 0.519 247 P HA -0.020 nan 4.420 nan 0.000 0.239 247 P C 0.899 178.017 177.300 -0.303 0.000 1.184 247 P CA 1.328 64.418 63.100 -0.017 0.000 0.760 247 P CB 0.161 31.823 31.700 -0.064 0.000 0.884 248 S N -2.105 113.470 115.700 -0.208 0.000 2.593 248 S HA 0.104 4.575 4.470 0.000 0.000 0.236 248 S C -0.055 174.433 174.600 -0.187 0.000 0.991 248 S CA -0.347 57.661 58.200 -0.321 0.000 0.963 248 S CB -0.917 62.187 63.200 -0.160 0.000 0.865 248 S HN 0.342 nan 8.310 nan 0.000 0.488 249 H N 0.869 119.923 119.070 -0.027 0.000 2.756 249 H HA -0.132 4.424 4.556 0.000 0.000 0.315 249 H C -0.078 175.161 175.328 -0.148 0.000 1.210 249 H CA 0.231 56.228 56.048 -0.086 0.000 1.150 249 H CB -1.270 28.436 29.762 -0.094 0.000 1.463 249 H HN 0.231 nan 8.280 nan 0.000 0.427 250 N N -0.694 117.969 118.700 -0.061 0.000 3.020 250 N HA 0.384 5.124 4.740 0.000 0.000 0.248 250 N C -1.443 173.915 175.510 -0.254 0.000 1.480 250 N CA -0.603 52.257 53.050 -0.316 0.000 0.874 250 N CB 1.819 39.835 38.487 -0.784 0.000 1.433 250 N HN 0.103 nan 8.380 nan 0.000 0.530 251 Y N 0.022 120.069 120.300 -0.421 0.000 2.602 251 Y HA 0.350 4.900 4.550 0.000 0.000 0.342 251 Y C 1.230 176.900 175.900 -0.384 0.000 1.029 251 Y CA -0.373 57.494 58.100 -0.389 0.000 1.080 251 Y CB 1.211 39.445 38.460 -0.376 0.000 1.284 251 Y HN 0.605 nan 8.280 nan 0.000 0.485 252 H N -0.687 118.194 119.070 -0.316 0.000 2.755 252 H HA 0.214 4.770 4.556 0.000 0.000 0.273 252 H C -0.101 175.251 175.328 0.039 0.000 1.055 252 H CA -0.006 55.942 56.048 -0.166 0.000 1.191 252 H CB 0.700 29.922 29.762 -0.900 0.000 1.536 252 H HN 0.493 nan 8.280 nan 0.000 0.529 253 Q N 1.615 121.451 119.800 0.061 0.000 2.222 253 Q HA 0.269 4.610 4.340 0.000 0.000 0.206 253 Q C 0.591 176.669 176.000 0.130 0.000 0.877 253 Q CA 0.497 56.414 55.803 0.190 0.000 0.958 253 Q CB 0.903 29.776 28.738 0.224 0.000 1.075 253 Q HN 0.779 nan 8.270 nan 0.000 0.483 254 G N 0.715 109.543 108.800 0.047 0.000 2.712 254 G HA2 -0.217 3.743 3.960 0.000 0.000 0.683 254 G HA3 -0.217 3.743 3.960 0.000 0.000 0.683 254 G C 0.377 175.269 174.900 -0.013 0.000 1.320 254 G CA -0.367 44.710 45.100 -0.038 0.000 0.847 254 G HN 0.093 nan 8.290 nan 0.000 0.553 255 M N 0.308 119.896 119.600 -0.021 0.000 2.619 255 M HA 0.122 4.602 4.480 0.000 0.000 0.251 255 M C 2.272 178.639 176.300 0.112 0.000 1.106 255 M CA 1.501 56.826 55.300 0.043 0.000 1.086 255 M CB -0.830 31.804 32.600 0.056 0.000 1.465 255 M HN 0.462 nan 8.290 nan 0.000 0.506 256 S N -0.906 114.805 115.700 0.018 0.000 2.438 256 S HA 0.062 4.532 4.470 0.000 0.000 0.220 256 S C 1.542 176.053 174.600 -0.149 0.000 1.045 256 S CA 0.284 58.435 58.200 -0.082 0.000 0.940 256 S CB -0.196 62.868 63.200 -0.227 0.000 0.863 256 S HN 0.385 nan 8.310 nan 0.000 0.539 257 Y N 2.186 122.405 120.300 -0.136 0.000 2.680 257 Y HA 0.053 4.603 4.550 0.000 0.000 0.303 257 Y C 1.923 177.782 175.900 -0.068 0.000 1.166 257 Y CA -0.074 57.945 58.100 -0.134 0.000 1.344 257 Y CB -0.335 37.949 38.460 -0.293 0.000 1.002 257 Y HN 0.192 nan 8.280 nan 0.000 0.537 258 L N 0.503 121.757 121.223 0.051 0.000 2.013 258 L HA -0.289 4.051 4.340 0.000 0.000 0.212 258 L C 2.207 179.092 176.870 0.025 0.000 1.073 258 L CA 1.863 56.673 54.840 -0.049 0.000 0.753 258 L CB -0.918 41.111 42.059 -0.049 0.000 0.890 258 L HN 0.201 nan 8.230 nan 0.000 0.432 259 N N -0.377 118.414 118.700 0.152 0.000 2.018 259 N HA -0.227 4.513 4.740 0.000 0.000 0.196 259 N C 1.972 177.533 175.510 0.084 0.000 1.043 259 N CA 2.125 55.288 53.050 0.187 0.000 0.856 259 N CB -0.539 38.041 38.487 0.155 0.000 1.042 259 N HN 0.382 nan 8.380 nan 0.000 0.423 260 V N 1.717 121.660 119.914 0.048 0.000 2.453 260 V HA -0.084 4.036 4.120 0.000 0.000 0.247 260 V C 2.384 178.414 176.094 -0.106 0.000 1.048 260 V CA 1.291 63.583 62.300 -0.014 0.000 1.049 260 V CB -0.228 31.642 31.823 0.078 0.000 0.672 260 V HN 0.270 nan 8.190 nan 0.000 0.457 261 R N -0.799 119.682 120.500 -0.032 0.000 2.073 261 R HA -0.049 4.291 4.340 0.000 0.000 0.229 261 R C 2.065 178.315 176.300 -0.083 0.000 1.120 261 R CA 1.651 57.727 56.100 -0.040 0.000 0.967 261 R CB -1.134 29.161 30.300 -0.008 0.000 0.862 261 R HN 0.602 nan 8.270 nan 0.000 0.436 262 F N 1.895 121.610 119.950 -0.390 0.000 2.293 262 F HA -0.031 4.496 4.527 0.000 0.000 0.297 262 F C 1.960 177.674 175.800 -0.143 0.000 1.089 262 F CA 0.966 58.752 58.000 -0.357 0.000 1.377 262 F CB -0.395 38.341 39.000 -0.441 0.000 1.051 262 F HN -0.084 nan 8.300 nan 0.000 0.511 263 T N 0.578 115.049 114.554 -0.138 0.000 2.684 263 T HA -0.216 4.134 4.350 0.000 0.000 0.267 263 T C 1.891 176.531 174.700 -0.100 0.000 1.036 263 T CA 1.749 63.766 62.100 -0.138 0.000 1.148 263 T CB -0.302 68.517 68.868 -0.081 0.000 0.863 263 T HN 0.270 nan 8.240 nan 0.000 0.436 264 N N 0.754 119.342 118.700 -0.186 0.000 2.270 264 N HA -0.080 4.660 4.740 0.000 0.000 0.181 264 N C 1.440 176.976 175.510 0.044 0.000 1.016 264 N CA 0.866 53.843 53.050 -0.121 0.000 0.870 264 N CB -0.246 38.089 38.487 -0.253 0.000 0.979 264 N HN 0.352 nan 8.380 nan 0.000 0.431 265 D N 1.123 121.554 120.400 0.053 0.000 2.104 265 D HA -0.104 4.536 4.640 0.000 0.000 0.194 265 D C 2.105 178.328 176.300 -0.128 0.000 0.994 265 D CA 0.728 54.788 54.000 0.099 0.000 0.830 265 D CB -0.283 40.633 40.800 0.193 0.000 0.959 265 D HN 0.236 nan 8.370 nan 0.000 0.452 266 L N -0.804 120.250 121.223 -0.281 0.000 2.156 266 L HA -0.071 4.269 4.340 0.000 0.000 0.208 266 L C 2.226 179.050 176.870 -0.076 0.000 1.095 266 L CA 0.434 55.094 54.840 -0.300 0.000 0.770 266 L CB -0.324 41.496 42.059 -0.399 0.000 0.914 266 L HN -0.043 nan 8.230 nan 0.000 0.439 267 F N 0.446 120.351 119.950 -0.075 0.000 2.095 267 F HA -0.277 4.250 4.527 0.000 0.000 0.298 267 F C 2.649 178.462 175.800 0.022 0.000 1.104 267 F CA 1.528 59.535 58.000 0.012 0.000 1.232 267 F CB -0.595 38.394 39.000 -0.018 0.000 0.987 267 F HN 0.020 nan 8.300 nan 0.000 0.475 268 A N -0.144 122.773 122.820 0.163 0.000 1.948 268 A HA -0.234 4.086 4.320 0.000 0.000 0.220 268 A C 2.089 179.713 177.584 0.068 0.000 1.177 268 A CA 1.965 54.001 52.037 -0.002 0.000 0.636 268 A CB -1.145 17.787 19.000 -0.113 0.000 0.815 268 A HN 0.451 nan 8.150 nan 0.000 0.449 269 L N -1.915 119.366 121.223 0.097 0.000 2.005 269 L HA -0.058 4.282 4.340 0.000 0.000 0.207 269 L C 2.236 178.920 176.870 -0.309 0.000 1.072 269 L CA 2.002 56.793 54.840 -0.081 0.000 0.744 269 L CB -0.693 41.103 42.059 -0.439 0.000 0.895 269 L HN 0.525 nan 8.230 nan 0.000 0.433 270 W N 0.022 121.042 121.300 -0.467 0.000 2.358 270 W HA -0.113 4.547 4.660 0.000 0.000 0.303 270 W C 2.469 178.753 176.519 -0.390 0.000 1.208 270 W CA 1.557 58.494 57.345 -0.679 0.000 1.274 270 W CB -0.233 28.299 29.460 -1.547 0.000 1.138 270 W HN 0.114 nan 8.180 nan 0.000 0.515 271 I N -0.190 120.449 120.570 0.115 0.000 2.163 271 I HA -0.346 3.824 4.170 0.000 0.000 0.243 271 I C 2.154 178.376 176.117 0.175 0.000 1.085 271 I CA 1.413 62.901 61.300 0.313 0.000 1.347 271 I CB -0.671 37.549 38.000 0.367 0.000 1.044 271 I HN -0.026 nan 8.210 nan 0.000 0.408 272 L N -0.272 120.997 121.223 0.078 0.000 2.179 272 L HA -0.164 4.176 4.340 0.000 0.000 0.208 272 L C 2.297 179.215 176.870 0.079 0.000 1.096 272 L CA 0.880 55.767 54.840 0.077 0.000 0.779 272 L CB -0.525 41.574 42.059 0.067 0.000 0.922 272 L HN 0.331 nan 8.230 nan 0.000 0.443 273 D N 0.335 120.757 120.400 0.037 0.000 2.078 273 D HA -0.194 4.446 4.640 0.000 0.000 0.193 273 D C 2.119 178.457 176.300 0.063 0.000 0.990 273 D CA 1.077 55.101 54.000 0.040 0.000 0.827 273 D CB 0.188 40.986 40.800 -0.003 0.000 0.975 273 D HN 0.069 nan 8.370 nan 0.000 0.451 274 R N 0.327 120.887 120.500 0.099 0.000 2.200 274 R HA -0.100 4.240 4.340 0.000 0.000 0.234 274 R C 2.188 178.571 176.300 0.137 0.000 1.127 274 R CA 0.310 56.510 56.100 0.166 0.000 0.989 274 R CB -0.697 29.800 30.300 0.328 0.000 0.869 274 R HN 0.442 nan 8.270 nan 0.000 0.459 275 M N -0.938 118.726 119.600 0.107 0.000 2.254 275 M HA -0.064 4.416 4.480 0.000 0.000 0.265 275 M C 0.667 176.964 176.300 -0.005 0.000 1.066 275 M CA 2.008 57.331 55.300 0.039 0.000 1.123 275 M CB 0.309 32.918 32.600 0.015 0.000 1.388 275 M HN 0.323 nan 8.290 nan 0.000 0.425 276 G N -1.292 107.522 108.800 0.023 0.000 2.234 276 G HA2 -0.082 3.878 3.960 0.000 0.000 0.153 276 G HA3 -0.082 3.878 3.960 0.000 0.000 0.153 276 G C 0.411 175.358 174.900 0.077 0.000 1.013 276 G CA 0.100 45.216 45.100 0.026 0.000 0.712 276 G HN 0.582 nan 8.290 nan 0.000 0.491 277 A N 0.191 123.072 122.820 0.103 0.000 2.423 277 A HA 0.677 4.997 4.320 0.000 0.000 0.246 277 A C 2.048 179.845 177.584 0.356 0.000 1.278 277 A CA 1.485 53.670 52.037 0.247 0.000 0.903 277 A CB -0.423 18.636 19.000 0.099 0.000 0.997 277 A HN 2.407 nan 8.150 nan 0.000 0.510 278 G N 0.604 109.529 108.800 0.208 0.000 2.569 278 G HA2 -0.289 3.671 3.960 0.000 0.000 0.259 278 G HA3 -0.289 3.671 3.960 0.000 0.000 0.259 278 G C -0.109 174.894 174.900 0.171 0.000 1.263 278 G CA 0.041 45.242 45.100 0.168 0.000 0.928 278 G HN 0.841 nan 8.290 nan 0.000 0.572 279 N N 0.647 119.451 118.700 0.173 0.000 2.426 279 N HA 0.378 5.118 4.740 0.000 0.000 0.257 279 N C 1.372 176.998 175.510 0.193 0.000 1.002 279 N CA 0.259 53.404 53.050 0.158 0.000 0.942 279 N CB 1.391 39.992 38.487 0.190 0.000 1.112 279 N HN 1.318 nan 8.380 nan 0.000 0.499 280 V N 1.157 121.187 119.914 0.193 0.000 3.608 280 V HA 0.413 4.533 4.120 0.000 0.000 0.269 280 V C 0.381 176.459 176.094 -0.027 0.000 1.245 280 V CA 0.250 62.644 62.300 0.158 0.000 1.138 280 V CB -1.186 30.762 31.823 0.208 0.000 0.841 280 V HN 0.256 nan 8.190 nan 0.000 0.451 281 F N 1.566 121.586 119.950 0.117 0.000 2.403 281 F HA 0.446 4.973 4.527 0.000 0.000 0.326 281 F C 0.840 176.729 175.800 0.150 0.000 1.081 281 F CA -0.945 57.126 58.000 0.118 0.000 1.041 281 F CB 0.564 39.694 39.000 0.218 0.000 1.234 281 F HN -0.038 nan 8.300 nan 0.000 0.503 282 N N 3.042 121.966 118.700 0.374 0.000 2.447 282 N HA 0.019 4.759 4.740 0.000 0.000 0.263 282 N C -2.052 173.655 175.510 0.328 0.000 1.226 282 N CA -1.010 52.214 53.050 0.290 0.000 0.906 282 N CB 1.191 39.821 38.487 0.237 0.000 1.060 282 N HN 0.192 nan 8.380 nan 0.000 0.468 283 P HA -0.024 nan 4.420 nan 0.000 0.226 283 P C 1.054 178.352 177.300 -0.003 0.000 1.146 283 P CA 0.717 63.915 63.100 0.162 0.000 0.773 283 P CB -0.066 31.734 31.700 0.166 0.000 0.772 284 G N 0.060 108.932 108.800 0.119 0.000 2.498 284 G HA2 -0.292 3.668 3.960 0.000 0.000 0.219 284 G HA3 -0.292 3.668 3.960 0.000 0.000 0.219 284 G C 1.506 176.326 174.900 -0.134 0.000 1.119 284 G CA 0.219 45.403 45.100 0.140 0.000 0.766 284 G HN 0.316 nan 8.290 nan 0.000 0.552 285 Q N -0.164 119.490 119.800 -0.242 0.000 2.248 285 Q HA -0.266 4.074 4.340 0.000 0.000 0.208 285 Q C 2.411 178.153 176.000 -0.430 0.000 0.984 285 Q CA 1.805 57.316 55.803 -0.487 0.000 0.875 285 Q CB -0.179 28.462 28.738 -0.162 0.000 0.910 285 Q HN 0.739 nan 8.270 nan 0.000 0.433 286 Q N -0.751 118.507 119.800 -0.903 0.000 2.226 286 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 286 Q C 0.895 176.421 176.000 -0.790 0.000 0.975 286 Q CA 1.386 56.468 55.803 -1.201 0.000 0.866 286 Q CB -0.000 27.598 28.738 -1.900 0.000 0.915 286 Q HN 0.488 nan 8.270 nan 0.000 0.440 287 F N -0.789 118.913 119.950 -0.412 0.000 2.727 287 F HA 0.186 4.713 4.527 0.000 0.000 0.302 287 F C 1.520 177.222 175.800 -0.163 0.000 1.097 287 F CA -0.277 57.454 58.000 -0.449 0.000 1.330 287 F CB 0.265 38.569 39.000 -1.158 0.000 1.084 287 F HN 0.026 nan 8.300 nan 0.000 0.578 288 I N -0.146 120.378 120.570 -0.076 0.000 2.163 288 I HA -0.304 3.866 4.170 0.000 0.000 0.243 288 I C 2.259 178.324 176.117 -0.086 0.000 1.085 288 I CA 1.262 62.457 61.300 -0.174 0.000 1.347 288 I CB -0.295 37.344 38.000 -0.601 0.000 1.044 288 I HN 0.119 nan 8.210 nan 0.000 0.408 289 L N -0.420 120.825 121.223 0.037 0.000 2.549 289 L HA -0.165 4.175 4.340 0.000 0.000 0.229 289 L C 1.940 178.849 176.870 0.065 0.000 1.158 289 L CA 1.398 56.254 54.840 0.028 0.000 0.842 289 L CB -0.673 41.462 42.059 0.127 0.000 0.952 289 L HN 0.159 nan 8.230 nan 0.000 0.452 290 Y N -0.730 119.588 120.300 0.029 0.000 2.333 290 Y HA -0.270 4.280 4.550 0.000 0.000 0.290 290 Y C 2.352 178.349 175.900 0.161 0.000 1.144 290 Y CA 1.662 59.836 58.100 0.123 0.000 1.228 290 Y CB -0.484 38.062 38.460 0.143 0.000 0.985 290 Y HN 0.362 nan 8.280 nan 0.000 0.542 291 D N -0.558 119.947 120.400 0.176 0.000 2.097 291 D HA -0.209 4.431 4.640 0.000 0.000 0.195 291 D C 2.305 178.642 176.300 0.063 0.000 0.989 291 D CA 1.433 55.484 54.000 0.086 0.000 0.827 291 D CB -0.186 40.601 40.800 -0.021 0.000 0.966 291 D HN 0.234 nan 8.370 nan 0.000 0.456 292 A N 0.477 123.251 122.820 -0.076 0.000 1.869 292 A HA -0.239 4.081 4.320 0.000 0.000 0.218 292 A C 2.401 180.015 177.584 0.050 0.000 1.203 292 A CA 1.752 53.689 52.037 -0.167 0.000 0.638 292 A CB -1.133 17.530 19.000 -0.561 0.000 0.831 292 A HN 0.417 nan 8.150 nan 0.000 0.450 293 I N -2.227 118.400 120.570 0.095 0.000 2.194 293 I HA -0.324 3.846 4.170 0.000 0.000 0.246 293 I C 2.384 178.644 176.117 0.239 0.000 1.093 293 I CA 1.795 63.177 61.300 0.136 0.000 1.355 293 I CB -0.423 37.590 38.000 0.021 0.000 1.046 293 I HN 0.434 nan 8.210 nan 0.000 0.413 294 Y N 0.965 121.378 120.300 0.189 0.000 2.421 294 Y HA -0.149 4.401 4.550 0.000 0.000 0.292 294 Y C 2.059 178.000 175.900 0.069 0.000 1.136 294 Y CA 1.258 59.484 58.100 0.210 0.000 1.255 294 Y CB -0.151 38.385 38.460 0.126 0.000 0.991 294 Y HN 0.104 nan 8.280 nan 0.000 0.552 295 K N 0.159 120.660 120.400 0.169 0.000 2.387 295 K HA 0.070 4.390 4.320 0.000 0.000 0.198 295 K C 0.474 177.087 176.600 0.023 0.000 1.022 295 K CA -0.212 56.111 56.287 0.060 0.000 1.128 295 K CB 0.310 32.831 32.500 0.034 0.000 0.853 295 K HN 0.016 nan 8.250 nan 0.000 0.523 296 R N 2.197 122.739 120.500 0.069 0.000 2.401 296 R HA 0.074 4.414 4.340 0.000 0.000 0.299 296 R C -0.630 175.638 176.300 -0.053 0.000 1.064 296 R CA -0.088 56.036 56.100 0.039 0.000 1.000 296 R CB 0.463 30.830 30.300 0.112 0.000 0.973 296 R HN -0.002 nan 8.270 nan 0.000 0.438 297 R N 4.869 125.267 120.500 -0.170 0.000 2.549 297 R HA 0.259 4.599 4.340 0.000 0.000 0.267 297 R C -1.789 174.451 176.300 -0.100 0.000 1.045 297 R CA -1.878 54.027 56.100 -0.325 0.000 1.115 297 R CB 0.377 30.216 30.300 -0.768 0.000 1.121 297 R HN 0.485 nan 8.270 nan 0.000 0.543 298 P HA -0.114 nan 4.420 nan 0.000 0.236 298 P C -0.297 177.042 177.300 0.065 0.000 1.172 298 P CA 1.050 64.193 63.100 0.071 0.000 0.759 298 P CB 0.035 31.807 31.700 0.120 0.000 0.843 299 D N -2.320 118.108 120.400 0.046 0.000 2.424 299 D HA 0.174 4.814 4.640 0.000 0.000 0.220 299 D C 1.371 177.677 176.300 0.010 0.000 1.150 299 D CA -0.065 53.965 54.000 0.050 0.000 0.831 299 D CB -0.759 40.095 40.800 0.089 0.000 0.981 299 D HN 0.133 nan 8.370 nan 0.000 0.500 300 G N -0.117 108.677 108.800 -0.009 0.000 2.179 300 G HA2 -0.283 3.677 3.960 0.000 0.000 0.260 300 G HA3 -0.283 3.677 3.960 0.000 0.000 0.260 300 G C 0.220 175.069 174.900 -0.086 0.000 0.977 300 G CA 0.147 45.221 45.100 -0.043 0.000 0.641 300 G HN 0.407 nan 8.290 nan 0.000 0.533 301 Q N -0.025 119.738 119.800 -0.061 0.000 2.199 301 Q HA 0.662 5.002 4.340 0.000 0.000 0.232 301 Q C 0.725 176.697 176.000 -0.047 0.000 0.969 301 Q CA -0.446 55.327 55.803 -0.050 0.000 0.925 301 Q CB 1.389 30.128 28.738 0.001 0.000 1.198 301 Q HN 0.391 nan 8.270 nan 0.000 0.494 302 I N 1.217 121.788 120.570 0.003 0.000 2.607 302 I HA 0.238 4.408 4.170 0.000 0.000 0.305 302 I C 0.313 176.447 176.117 0.030 0.000 0.995 302 I CA -1.109 60.215 61.300 0.039 0.000 1.148 302 I CB 0.970 39.053 38.000 0.138 0.000 1.323 302 I HN 0.456 nan 8.210 nan 0.000 0.461 303 L N 3.548 124.773 121.223 0.003 0.000 2.485 303 L HA 0.263 4.603 4.340 0.000 0.000 0.275 303 L C 0.718 177.626 176.870 0.062 0.000 1.207 303 L CA 0.397 55.248 54.840 0.019 0.000 0.855 303 L CB 0.689 42.743 42.059 -0.007 0.000 1.114 303 L HN 0.811 nan 8.230 nan 0.000 0.485 304 A N 2.956 125.843 122.820 0.112 0.000 2.366 304 A HA 0.639 4.959 4.320 0.000 0.000 0.250 304 A C 0.308 177.906 177.584 0.024 0.000 1.099 304 A CA 0.299 52.423 52.037 0.145 0.000 0.794 304 A CB -0.033 19.139 19.000 0.286 0.000 1.056 304 A HN 1.212 nan 8.150 nan 0.000 0.499 305 G N -1.015 107.775 108.800 -0.016 0.000 1.843 305 G HA2 0.631 4.591 3.960 0.000 0.000 0.278 305 G HA3 0.631 4.591 3.960 0.000 0.000 0.278 305 G C 0.257 174.990 174.900 -0.280 0.000 1.708 305 G CA 0.452 45.452 45.100 -0.166 0.000 0.918 305 G HN 2.568 nan 8.290 nan 0.000 0.661 306 G N 2.110 110.525 108.800 -0.642 0.000 2.641 306 G HA2 -0.044 3.916 3.960 0.000 0.000 0.254 306 G HA3 -0.044 3.916 3.960 0.000 0.000 0.254 306 G C -0.124 174.401 174.900 -0.624 0.000 1.315 306 G CA 0.086 44.423 45.100 -1.271 0.000 0.907 306 G HN 1.112 nan 8.290 nan 0.000 0.572 307 D N 0.994 121.324 120.400 -0.116 0.000 2.455 307 D HA 0.364 5.004 4.640 0.000 0.000 0.265 307 D C 0.834 177.190 176.300 0.094 0.000 1.284 307 D CA 1.448 55.621 54.000 0.289 0.000 0.944 307 D CB 0.297 41.173 40.800 0.126 0.000 1.121 307 D HN 1.400 nan 8.370 nan 0.000 0.525 308 V N -0.191 119.911 119.914 0.312 0.000 3.120 308 V HA 0.588 4.708 4.120 0.000 0.000 0.303 308 V C -0.652 175.364 176.094 -0.130 0.000 1.238 308 V CA -1.071 61.254 62.300 0.041 0.000 1.008 308 V CB 2.923 34.750 31.823 0.008 0.000 1.064 308 V HN 0.079 nan 8.190 nan 0.000 0.434 309 D N 0.218 120.458 120.400 -0.266 0.000 2.506 309 D HA 0.693 5.333 4.640 0.000 0.000 0.254 309 D C -1.396 174.539 176.300 -0.608 0.000 1.089 309 D CA 0.027 53.744 54.000 -0.473 0.000 1.050 309 D CB 1.911 42.645 40.800 -0.109 0.000 1.221 309 D HN 0.709 nan 8.370 nan 0.000 0.589 310 Y N -0.714 119.640 120.300 0.089 0.000 2.512 310 Y HA 0.538 5.088 4.550 0.000 0.000 0.348 310 Y C 0.137 176.067 175.900 0.051 0.000 0.990 310 Y CA -0.850 57.294 58.100 0.073 0.000 1.033 310 Y CB 2.276 40.789 38.460 0.088 0.000 1.259 310 Y HN 0.130 nan 8.280 nan 0.000 0.461 311 S N 1.125 116.942 115.700 0.194 0.000 2.537 311 S HA 0.540 5.011 4.470 0.000 0.000 0.271 311 S C -1.034 173.618 174.600 0.087 0.000 1.148 311 S CA -0.945 57.321 58.200 0.110 0.000 0.868 311 S CB 1.117 64.352 63.200 0.059 0.000 1.115 311 S HN 0.697 nan 8.310 nan 0.000 0.461 312 R N 2.730 123.270 120.500 0.067 0.000 2.767 312 R HA 0.303 4.643 4.340 0.000 0.000 0.377 312 R C 0.533 176.853 176.300 0.034 0.000 1.151 312 R CA -0.242 55.889 56.100 0.051 0.000 1.046 312 R CB 0.158 30.491 30.300 0.055 0.000 1.404 312 R HN 0.611 nan 8.270 nan 0.000 0.580 313 K N 1.236 121.651 120.400 0.025 0.000 2.214 313 K HA 0.013 4.333 4.320 0.000 0.000 0.201 313 K C -0.372 176.235 176.600 0.012 0.000 1.049 313 K CA 1.060 57.359 56.287 0.021 0.000 0.978 313 K CB 0.499 33.012 32.500 0.023 0.000 0.842 313 K HN 0.037 nan 8.250 nan 0.000 0.474 314 K N -0.472 119.922 120.400 -0.010 0.000 2.587 314 K HA 0.373 4.693 4.320 0.000 0.000 0.276 314 K C -3.046 173.479 176.600 -0.125 0.000 0.956 314 K CA -1.872 54.400 56.287 -0.026 0.000 0.857 314 K CB 0.808 33.316 32.500 0.014 0.000 1.431 314 K HN -0.276 nan 8.250 nan 0.000 0.420 315 P HA 0.011 nan 4.420 nan 0.000 0.267 315 P C -1.114 175.708 177.300 -0.798 0.000 1.200 315 P CA -0.314 62.516 63.100 -0.450 0.000 0.772 315 P CB 0.500 31.918 31.700 -0.470 0.000 0.855 316 K N 2.538 122.575 120.400 -0.606 0.000 2.205 316 K HA 0.325 4.645 4.320 0.000 0.000 0.279 316 K C -1.034 175.116 176.600 -0.750 0.000 1.027 316 K CA -0.318 55.617 56.287 -0.586 0.000 0.932 316 K CB 0.274 32.563 32.500 -0.352 0.000 1.032 316 K HN 0.341 nan 8.250 nan 0.000 0.466 317 Y N 2.039 122.183 120.300 -0.260 0.000 2.524 317 Y HA 0.285 4.835 4.550 0.000 0.000 0.344 317 Y C -0.768 174.906 175.900 -0.376 0.000 1.012 317 Y CA -0.940 57.031 58.100 -0.216 0.000 1.068 317 Y CB 1.228 39.626 38.460 -0.103 0.000 1.249 317 Y HN 0.435 nan 8.280 nan 0.000 0.468 318 Y N 0.696 121.126 120.300 0.217 0.000 2.783 318 Y HA 0.162 4.713 4.550 0.000 0.000 0.382 318 Y C 1.358 177.371 175.900 0.189 0.000 1.076 318 Y CA -0.499 57.701 58.100 0.168 0.000 1.530 318 Y CB 0.035 38.578 38.460 0.139 0.000 1.546 318 Y HN 0.734 nan 8.280 nan 0.000 0.537 319 T N -0.294 114.405 114.554 0.241 0.000 2.622 319 T HA -0.269 4.081 4.350 0.000 0.000 0.266 319 T C 2.072 176.962 174.700 0.317 0.000 1.047 319 T CA 1.648 63.895 62.100 0.245 0.000 1.159 319 T CB -0.083 68.852 68.868 0.112 0.000 0.863 319 T HN 0.381 nan 8.240 nan 0.000 0.422 320 M N 1.415 121.158 119.600 0.238 0.000 2.067 320 M HA 0.039 4.519 4.480 0.000 0.000 0.260 320 M C -1.187 175.185 176.300 0.120 0.000 1.069 320 M CA 1.124 56.537 55.300 0.189 0.000 1.117 320 M CB -1.365 31.356 32.600 0.200 0.000 1.334 320 M HN 0.074 nan 8.290 nan 0.000 0.407 321 P HA -0.058 nan 4.420 nan 0.000 0.216 321 P C 1.054 178.413 177.300 0.098 0.000 1.150 321 P CA 2.026 65.161 63.100 0.057 0.000 0.837 321 P CB -0.330 31.487 31.700 0.194 0.000 0.786 322 A N -0.587 122.351 122.820 0.198 0.000 1.898 322 A HA -0.163 4.157 4.320 0.000 0.000 0.216 322 A C 2.097 179.727 177.584 0.077 0.000 1.181 322 A CA 1.310 53.465 52.037 0.197 0.000 0.620 322 A CB -1.656 17.529 19.000 0.309 0.000 0.819 322 A HN 0.125 nan 8.150 nan 0.000 0.442 323 L N 0.107 121.335 121.223 0.009 0.000 1.956 323 L HA -0.180 4.160 4.340 0.000 0.000 0.216 323 L C 2.372 179.142 176.870 -0.167 0.000 1.073 323 L CA 2.066 56.684 54.840 -0.371 0.000 0.762 323 L CB -0.819 41.041 42.059 -0.332 0.000 0.889 323 L HN 0.430 nan 8.230 nan 0.000 0.433 324 L N -0.894 120.288 121.223 -0.069 0.000 2.027 324 L HA -0.128 4.212 4.340 0.000 0.000 0.206 324 L C 2.622 179.644 176.870 0.254 0.000 1.074 324 L CA 1.252 56.141 54.840 0.081 0.000 0.745 324 L CB -1.025 40.996 42.059 -0.063 0.000 0.898 324 L HN 0.383 nan 8.230 nan 0.000 0.433 325 A N 0.315 123.184 122.820 0.082 0.000 1.929 325 A HA -0.035 4.285 4.320 0.000 0.000 0.216 325 A C 2.398 180.114 177.584 0.221 0.000 1.176 325 A CA 1.410 53.540 52.037 0.156 0.000 0.628 325 A CB -1.164 17.911 19.000 0.125 0.000 0.816 325 A HN 0.426 nan 8.150 nan 0.000 0.444 326 G N -0.561 108.319 108.800 0.132 0.000 2.446 326 G HA2 -0.167 3.793 3.960 0.000 0.000 0.217 326 G HA3 -0.167 3.793 3.960 0.000 0.000 0.217 326 G C 1.807 176.763 174.900 0.094 0.000 1.168 326 G CA 1.393 46.554 45.100 0.101 0.000 0.771 326 G HN 0.492 nan 8.290 nan 0.000 0.551 327 S N -0.796 114.964 115.700 0.100 0.000 2.414 327 S HA 0.002 4.472 4.470 0.000 0.000 0.227 327 S C 1.882 176.602 174.600 0.201 0.000 1.022 327 S CA 0.596 58.881 58.200 0.141 0.000 0.958 327 S CB -0.313 62.961 63.200 0.124 0.000 0.797 327 S HN 0.496 nan 8.310 nan 0.000 0.493 328 Y N 0.993 121.338 120.300 0.076 0.000 2.145 328 Y HA -0.166 4.384 4.550 0.000 0.000 0.286 328 Y C 1.500 177.098 175.900 -0.503 0.000 1.145 328 Y CA 1.555 59.339 58.100 -0.528 0.000 1.148 328 Y CB -0.201 37.600 38.460 -1.099 0.000 0.981 328 Y HN 0.229 nan 8.280 nan 0.000 0.507 329 Y N 0.798 121.117 120.300 0.032 0.000 2.490 329 Y HA 0.127 4.677 4.550 0.000 0.000 0.281 329 Y C 0.233 176.098 175.900 -0.058 0.000 1.174 329 Y CA -0.218 57.867 58.100 -0.026 0.000 1.295 329 Y CB -0.150 38.289 38.460 -0.035 0.000 1.062 329 Y HN -0.115 nan 8.280 nan 0.000 0.522 330 K N 1.505 121.932 120.400 0.046 0.000 3.689 330 K HA -0.251 4.069 4.320 0.000 0.000 0.276 330 K C -0.986 175.656 176.600 0.070 0.000 0.932 330 K CA 0.701 57.008 56.287 0.032 0.000 0.758 330 K CB -1.443 31.054 32.500 -0.006 0.000 1.500 330 K HN 0.427 nan 8.250 nan 0.000 0.448 331 D N 1.076 121.531 120.400 0.092 0.000 2.425 331 D HA 0.167 4.807 4.640 0.000 0.000 0.240 331 D C 0.567 176.912 176.300 0.075 0.000 1.080 331 D CA -0.368 53.701 54.000 0.116 0.000 0.836 331 D CB 0.756 41.645 40.800 0.149 0.000 1.125 331 D HN 0.214 nan 8.370 nan 0.000 0.525 332 E N 2.368 122.576 120.200 0.013 0.000 2.347 332 E HA -0.129 4.221 4.350 0.000 0.000 0.196 332 E C 0.711 177.206 176.600 -0.176 0.000 1.008 332 E CA 0.640 56.981 56.400 -0.099 0.000 0.852 332 E CB 0.365 29.945 29.700 -0.200 0.000 0.783 332 E HN 0.617 nan 8.360 nan 0.000 0.505 333 Y N 0.371 120.673 120.300 0.002 0.000 2.206 333 Y HA -0.073 4.477 4.550 0.000 0.000 0.292 333 Y C 2.172 178.035 175.900 -0.061 0.000 1.123 333 Y CA 0.661 58.702 58.100 -0.099 0.000 1.142 333 Y CB 0.011 38.314 38.460 -0.262 0.000 1.006 333 Y HN -0.038 nan 8.280 nan 0.000 0.518 334 L N -0.242 121.028 121.223 0.078 0.000 2.141 334 L HA -0.194 4.147 4.340 0.000 0.000 0.209 334 L C 1.989 178.948 176.870 0.147 0.000 1.094 334 L CA 1.218 56.106 54.840 0.081 0.000 0.763 334 L CB -0.523 41.582 42.059 0.077 0.000 0.908 334 L HN 0.255 nan 8.230 nan 0.000 0.437 335 N N -0.080 118.697 118.700 0.129 0.000 2.244 335 N HA -0.248 4.492 4.740 0.000 0.000 0.183 335 N C 1.828 177.460 175.510 0.203 0.000 1.016 335 N CA 1.117 54.255 53.050 0.148 0.000 0.866 335 N CB -0.200 38.338 38.487 0.086 0.000 0.980 335 N HN 0.307 nan 8.380 nan 0.000 0.430 336 Y N 1.038 121.368 120.300 0.050 0.000 2.145 336 Y HA -0.181 4.369 4.550 0.000 0.000 0.286 336 Y C 2.351 178.295 175.900 0.073 0.000 1.145 336 Y CA 1.964 60.085 58.100 0.034 0.000 1.148 336 Y CB -0.375 38.075 38.460 -0.018 0.000 0.981 336 Y HN 0.090 nan 8.280 nan 0.000 0.507 337 E N 0.105 120.464 120.200 0.266 0.000 2.070 337 E HA -0.297 4.053 4.350 0.000 0.000 0.197 337 E C 2.003 178.692 176.600 0.149 0.000 1.004 337 E CA 1.920 58.451 56.400 0.217 0.000 0.805 337 E CB -0.900 28.940 29.700 0.234 0.000 0.744 337 E HN 0.530 nan 8.360 nan 0.000 0.451 338 F N 0.496 120.459 119.950 0.021 0.000 2.075 338 F HA -0.108 4.420 4.527 0.000 0.000 0.297 338 F C 1.829 177.564 175.800 -0.108 0.000 1.113 338 F CA 1.526 59.514 58.000 -0.021 0.000 1.218 338 F CB -0.308 38.690 39.000 -0.003 0.000 0.984 338 F HN 0.042 nan 8.300 nan 0.000 0.472 339 L N 0.067 121.201 121.223 -0.148 0.000 2.456 339 L HA -0.177 4.163 4.340 0.000 0.000 0.224 339 L C 2.255 178.882 176.870 -0.404 0.000 1.148 339 L CA 0.907 55.564 54.840 -0.305 0.000 0.825 339 L CB -0.667 41.289 42.059 -0.172 0.000 0.937 339 L HN 0.130 nan 8.230 nan 0.000 0.450 340 K N -0.216 119.945 120.400 -0.399 0.000 2.097 340 K HA -0.139 4.181 4.320 0.000 0.000 0.206 340 K C 0.168 176.433 176.600 -0.559 0.000 1.049 340 K CA 1.107 57.175 56.287 -0.366 0.000 0.933 340 K CB 0.108 32.524 32.500 -0.141 0.000 0.717 340 K HN 0.070 nan 8.250 nan 0.000 0.442 341 D N -1.059 118.906 120.400 -0.725 0.000 2.411 341 D HA 0.102 4.742 4.640 0.000 0.000 0.239 341 D C -2.542 173.320 176.300 -0.730 0.000 1.307 341 D CA -1.622 51.880 54.000 -0.829 0.000 0.930 341 D CB 1.250 41.186 40.800 -1.440 0.000 1.395 341 D HN -0.139 nan 8.370 nan 0.000 0.536 342 P HA 0.141 nan 4.420 nan 0.000 0.253 342 P C -0.701 176.323 177.300 -0.459 0.000 1.508 342 P CA -0.191 62.335 63.100 -0.957 0.000 0.883 342 P CB -0.134 31.170 31.700 -0.660 0.000 1.519 343 N N 0.575 119.073 118.700 -0.336 0.000 2.527 343 N HA 0.172 4.912 4.740 0.000 0.000 0.236 343 N C -0.280 175.188 175.510 -0.069 0.000 0.999 343 N CA -0.448 52.508 53.050 -0.157 0.000 0.935 343 N CB 1.890 40.292 38.487 -0.142 0.000 1.132 343 N HN -0.095 nan 8.380 nan 0.000 0.511 344 V N 1.603 121.518 119.914 0.002 0.000 2.732 344 V HA 0.039 4.159 4.120 0.000 0.000 0.297 344 V C 1.044 177.153 176.094 0.024 0.000 1.060 344 V CA -0.615 61.717 62.300 0.054 0.000 1.038 344 V CB 1.163 33.041 31.823 0.092 0.000 1.003 344 V HN 0.466 nan 8.190 nan 0.000 0.481 345 E N 4.768 124.992 120.200 0.041 0.000 2.502 345 E HA -0.024 4.326 4.350 0.000 0.000 0.261 345 E C -1.539 175.053 176.600 -0.013 0.000 0.974 345 E CA -1.030 55.399 56.400 0.048 0.000 0.936 345 E CB 0.610 30.378 29.700 0.113 0.000 0.926 345 E HN 0.419 nan 8.360 nan 0.000 0.459 346 P HA -0.243 nan 4.420 nan 0.000 0.217 346 P C 1.259 178.543 177.300 -0.028 0.000 1.162 346 P CA 1.716 64.806 63.100 -0.016 0.000 0.901 346 P CB -0.109 31.585 31.700 -0.010 0.000 0.793 347 H N -1.919 117.087 119.070 -0.106 0.000 2.521 347 H HA 0.005 4.561 4.556 0.000 0.000 0.286 347 H C 0.975 176.284 175.328 -0.032 0.000 1.034 347 H CA 1.144 57.115 56.048 -0.128 0.000 1.278 347 H CB -1.231 28.379 29.762 -0.255 0.000 1.386 347 H HN 0.157 nan 8.280 nan 0.000 0.567 348 C N 1.355 120.389 119.300 -0.444 0.000 2.791 348 C HA 0.179 4.639 4.460 0.000 0.000 0.270 348 C C 2.369 177.351 174.990 -0.013 0.000 1.257 348 C CA -0.561 58.406 59.018 -0.085 0.000 1.699 348 C CB -0.098 27.578 27.740 -0.106 0.000 1.904 348 C HN 0.404 nan 8.230 nan 0.000 0.603 349 K N 1.499 121.850 120.400 -0.082 0.000 2.074 349 K HA -0.172 4.148 4.320 0.000 0.000 0.209 349 K C 1.831 178.375 176.600 -0.092 0.000 1.048 349 K CA 1.154 57.403 56.287 -0.063 0.000 0.926 349 K CB -0.670 31.780 32.500 -0.084 0.000 0.713 349 K HN 0.468 nan 8.250 nan 0.000 0.444 350 L N 0.380 121.465 121.223 -0.229 0.000 2.079 350 L HA -0.120 4.220 4.340 0.000 0.000 0.210 350 L C 2.075 178.683 176.870 -0.436 0.000 1.081 350 L CA 1.555 56.199 54.840 -0.326 0.000 0.752 350 L CB -0.483 41.243 42.059 -0.554 0.000 0.896 350 L HN 0.029 nan 8.230 nan 0.000 0.433 351 F N -0.226 119.490 119.950 -0.390 0.000 2.259 351 F HA -0.108 4.419 4.527 0.000 0.000 0.298 351 F C 2.550 178.010 175.800 -0.566 0.000 1.088 351 F CA 1.261 58.783 58.000 -0.795 0.000 1.358 351 F CB -0.372 38.141 39.000 -0.812 0.000 1.040 351 F HN 0.228 nan 8.300 nan 0.000 0.505 352 E N 0.455 120.584 120.200 -0.117 0.000 2.051 352 E HA -0.268 4.082 4.350 0.000 0.000 0.192 352 E C 2.161 178.719 176.600 -0.070 0.000 0.991 352 E CA 1.402 57.756 56.400 -0.077 0.000 0.799 352 E CB -0.308 29.417 29.700 0.041 0.000 0.748 352 E HN 0.373 nan 8.360 nan 0.000 0.449 353 F N 1.375 121.232 119.950 -0.156 0.000 2.046 353 F HA -0.193 4.334 4.527 0.000 0.000 0.297 353 F C 2.011 177.722 175.800 -0.150 0.000 1.123 353 F CA 1.637 59.569 58.000 -0.113 0.000 1.199 353 F CB -0.355 38.609 39.000 -0.060 0.000 0.972 353 F HN -0.000 nan 8.300 nan 0.000 0.474 354 L N -1.394 119.654 121.223 -0.292 0.000 2.046 354 L HA -0.229 4.111 4.340 0.000 0.000 0.208 354 L C 2.075 178.821 176.870 -0.206 0.000 1.077 354 L CA 1.158 55.783 54.840 -0.359 0.000 0.747 354 L CB -0.741 41.080 42.059 -0.398 0.000 0.896 354 L HN 0.307 nan 8.230 nan 0.000 0.432 355 W N -0.567 120.503 121.300 -0.384 0.000 2.907 355 W HA 0.227 4.887 4.660 0.000 0.000 0.271 355 W C 1.460 177.678 176.519 -0.502 0.000 1.253 355 W CA -0.795 56.160 57.345 -0.649 0.000 1.501 355 W CB -0.426 28.200 29.460 -1.390 0.000 1.047 355 W HN -0.008 nan 8.180 nan 0.000 0.610 356 R N 2.517 122.906 120.500 -0.185 0.000 2.640 356 R HA -0.042 4.298 4.340 0.000 0.000 0.270 356 R C -0.338 175.899 176.300 -0.106 0.000 1.024 356 R CA 0.517 56.508 56.100 -0.181 0.000 1.085 356 R CB 0.288 30.478 30.300 -0.183 0.000 0.963 356 R HN -0.260 nan 8.270 nan 0.000 0.426 357 D N 2.430 122.781 120.400 -0.082 0.000 2.412 357 D HA 0.041 4.681 4.640 0.000 0.000 0.224 357 D C 0.505 176.778 176.300 -0.045 0.000 1.093 357 D CA -0.304 53.671 54.000 -0.042 0.000 0.850 357 D CB 1.480 42.273 40.800 -0.012 0.000 1.046 357 D HN 0.633 nan 8.370 nan 0.000 0.507 358 T N 0.781 115.311 114.554 -0.039 0.000 3.086 358 T HA 0.036 4.386 4.350 0.000 0.000 0.250 358 T C 1.136 175.830 174.700 -0.011 0.000 1.074 358 T CA 0.172 62.260 62.100 -0.020 0.000 0.988 358 T CB 0.232 69.089 68.868 -0.019 0.000 0.988 358 T HN 0.191 nan 8.240 nan 0.000 0.530 359 Q N 0.098 119.888 119.800 -0.016 0.000 2.217 359 Q HA 0.455 4.795 4.340 0.000 0.000 0.217 359 Q C -0.072 175.923 176.000 -0.009 0.000 0.844 359 Q CA -0.356 55.439 55.803 -0.012 0.000 0.957 359 Q CB 0.108 28.836 28.738 -0.018 0.000 1.127 359 Q HN 0.453 nan 8.270 nan 0.000 0.503 360 L N 0.641 121.860 121.223 -0.007 0.000 2.453 360 L HA 0.413 4.753 4.340 0.000 0.000 0.272 360 L C 0.676 177.549 176.870 0.005 0.000 1.182 360 L CA 0.471 55.309 54.840 -0.002 0.000 0.858 360 L CB 0.482 42.540 42.059 -0.002 0.000 1.120 360 L HN 0.187 nan 8.230 nan 0.000 0.474 361 G N 2.693 111.491 108.800 -0.003 0.000 2.588 361 G HA2 0.527 4.487 3.960 0.000 0.000 0.281 361 G HA3 0.527 4.487 3.960 0.000 0.000 0.281 361 G C -0.992 173.910 174.900 0.002 0.000 1.236 361 G CA 0.106 45.203 45.100 -0.005 0.000 0.969 361 G HN 0.950 nan 8.290 nan 0.000 0.504 362 S N -0.864 114.841 115.700 0.009 0.000 2.548 362 S HA 0.678 5.148 4.470 0.000 0.000 0.276 362 S C -0.787 173.802 174.600 -0.018 0.000 1.129 362 S CA -1.038 57.194 58.200 0.054 0.000 0.931 362 S CB 2.347 65.649 63.200 0.171 0.000 1.068 362 S HN 0.573 nan 8.310 nan 0.000 0.480 363 R N 1.971 122.352 120.500 -0.198 0.000 2.494 363 R HA 0.400 4.740 4.340 0.000 0.000 0.305 363 R C -0.417 175.503 176.300 -0.633 0.000 0.959 363 R CA -0.733 55.099 56.100 -0.446 0.000 0.864 363 R CB 2.019 31.747 30.300 -0.952 0.000 1.159 363 R HN 0.833 nan 8.270 nan 0.000 0.446 364 K N 2.949 122.891 120.400 -0.763 0.000 2.258 364 K HA 0.194 4.514 4.320 0.000 0.000 0.264 364 K C -1.718 174.554 176.600 -0.548 0.000 1.007 364 K CA -1.403 54.242 56.287 -1.071 0.000 0.941 364 K CB 0.573 32.622 32.500 -0.752 0.000 0.966 364 K HN 0.203 nan 8.250 nan 0.000 0.480 365 P HA -0.071 nan 4.420 nan 0.000 0.242 365 P C -0.448 176.092 177.300 -1.268 0.000 1.197 365 P CA 0.638 63.234 63.100 -0.839 0.000 0.765 365 P CB 0.151 31.203 31.700 -1.081 0.000 0.936 366 D N 1.157 121.096 120.400 -0.768 0.000 2.178 366 D HA -0.150 4.490 4.640 0.000 0.000 0.201 366 D C 1.263 177.356 176.300 -0.346 0.000 0.980 366 D CA 1.389 55.031 54.000 -0.598 0.000 0.842 366 D CB -0.413 40.264 40.800 -0.205 0.000 0.948 366 D HN 0.352 nan 8.370 nan 0.000 0.472 367 D N -0.153 120.111 120.400 -0.227 0.000 2.342 367 D HA -0.018 4.622 4.640 0.000 0.000 0.221 367 D C 0.188 176.489 176.300 0.001 0.000 1.101 367 D CA -0.175 53.806 54.000 -0.033 0.000 0.837 367 D CB -0.435 40.377 40.800 0.020 0.000 0.938 367 D HN 0.178 nan 8.370 nan 0.000 0.508 368 L N 0.802 121.943 121.223 -0.136 0.000 2.371 368 L HA 0.309 4.649 4.340 0.000 0.000 0.272 368 L C -1.920 175.126 176.870 0.294 0.000 1.124 368 L CA -1.955 52.880 54.840 -0.008 0.000 0.816 368 L CB 0.463 42.373 42.059 -0.249 0.000 1.129 368 L HN -0.262 nan 8.230 nan 0.000 0.448 369 P HA -0.092 nan 4.420 nan 0.000 0.266 369 P C 0.453 177.939 177.300 0.310 0.000 1.180 369 P CA 0.373 63.612 63.100 0.232 0.000 0.765 369 P CB 0.440 32.240 31.700 0.165 0.000 0.806 370 L N 0.077 121.354 121.223 0.091 0.000 2.591 370 L HA 0.106 4.446 4.340 0.000 0.000 0.228 370 L C 0.480 177.292 176.870 -0.097 0.000 1.133 370 L CA 0.796 55.614 54.840 -0.036 0.000 0.880 370 L CB -0.066 41.919 42.059 -0.123 0.000 1.033 370 L HN 0.281 nan 8.230 nan 0.000 0.450 371 S N -0.115 115.442 115.700 -0.239 0.000 2.575 371 S HA 0.518 4.988 4.470 0.000 0.000 0.278 371 S C -0.794 173.467 174.600 -0.566 0.000 1.139 371 S CA -0.634 57.267 58.200 -0.499 0.000 0.954 371 S CB 2.786 65.446 63.200 -0.900 0.000 1.054 371 S HN 0.165 nan 8.310 nan 0.000 0.483 372 R N 2.031 122.263 120.500 -0.447 0.000 2.561 372 R HA 0.495 4.835 4.340 0.000 0.000 0.297 372 R C -2.021 174.250 176.300 -0.050 0.000 0.969 372 R CA -0.617 55.283 56.100 -0.334 0.000 0.879 372 R CB 1.175 30.984 30.300 -0.818 0.000 1.178 372 R HN 0.684 nan 8.270 nan 0.000 0.445 373 Y N 2.120 122.426 120.300 0.010 0.000 2.377 373 Y HA 0.469 5.019 4.550 0.000 0.000 0.339 373 Y C -1.307 174.582 175.900 -0.019 0.000 1.011 373 Y CA -0.533 57.595 58.100 0.047 0.000 1.093 373 Y CB 2.039 40.579 38.460 0.134 0.000 1.201 373 Y HN 0.503 nan 8.280 nan 0.000 0.455 374 S N 4.699 119.959 115.700 -0.733 0.000 2.640 374 S HA 0.589 5.059 4.470 0.000 0.000 0.320 374 S C 0.322 174.326 174.600 -0.993 0.000 1.097 374 S CA -0.452 57.332 58.200 -0.693 0.000 1.092 374 S CB 1.121 64.105 63.200 -0.360 0.000 0.988 374 S HN 1.077 nan 8.310 nan 0.000 0.470 375 G N 1.774 110.029 108.800 -0.907 0.000 2.546 375 G HA2 0.402 4.362 3.960 0.000 0.000 0.239 375 G HA3 0.402 4.362 3.960 0.000 0.000 0.239 375 G C -0.048 174.650 174.900 -0.337 0.000 1.476 375 G CA -0.631 44.124 45.100 -0.574 0.000 1.064 375 G HN 0.610 nan 8.290 nan 0.000 0.561 376 S N 1.718 117.263 115.700 -0.258 0.000 2.558 376 S HA 0.194 4.664 4.470 0.000 0.000 0.288 376 S C -1.489 172.731 174.600 -0.633 0.000 1.318 376 S CA -0.255 57.738 58.200 -0.346 0.000 1.056 376 S CB 1.303 64.364 63.200 -0.232 0.000 0.853 376 S HN 0.457 nan 8.310 nan 0.000 0.505 377 P HA 0.203 nan 4.420 nan 0.000 0.254 377 P C -0.020 176.885 177.300 -0.659 0.000 1.494 377 P CA 0.153 62.848 63.100 -0.675 0.000 0.961 377 P CB -0.069 31.202 31.700 -0.715 0.000 1.493 378 F N 0.371 120.046 119.950 -0.458 0.000 2.293 378 F HA 0.407 4.934 4.527 0.000 0.000 0.272 378 F C 1.688 177.190 175.800 -0.496 0.000 1.053 378 F CA 0.772 58.278 58.000 -0.823 0.000 1.152 378 F CB -1.077 36.949 39.000 -1.623 0.000 1.119 378 F HN -0.002 nan 8.300 nan 0.000 0.564 379 G N 0.488 109.188 108.800 -0.167 0.000 2.401 379 G HA2 -0.212 3.748 3.960 0.000 0.000 0.283 379 G HA3 -0.212 3.748 3.960 0.000 0.000 0.283 379 G C -0.983 174.132 174.900 0.359 0.000 1.117 379 G CA -0.598 44.593 45.100 0.153 0.000 1.051 379 G HN 0.151 nan 8.290 nan 0.000 0.510 380 W N 0.205 121.545 121.300 0.068 0.000 2.632 380 W HA 0.811 5.471 4.660 0.000 0.000 0.328 380 W C 0.085 176.629 176.519 0.042 0.000 1.044 380 W CA -1.757 55.594 57.345 0.011 0.000 1.225 380 W CB 1.412 30.817 29.460 -0.092 0.000 1.396 380 W HN 0.096 nan 8.180 nan 0.000 0.499 381 M N 4.224 123.963 119.600 0.230 0.000 2.311 381 M HA 0.378 4.858 4.480 0.000 0.000 0.325 381 M C -1.001 175.281 176.300 -0.030 0.000 1.061 381 M CA -1.015 54.364 55.300 0.132 0.000 0.957 381 M CB 2.071 34.732 32.600 0.102 0.000 1.646 381 M HN 0.401 nan 8.290 nan 0.000 0.434 382 I N 3.149 123.671 120.570 -0.080 0.000 2.406 382 I HA 0.739 4.909 4.170 0.000 0.000 0.290 382 I C -1.060 174.935 176.117 -0.204 0.000 0.999 382 I CA -0.043 61.173 61.300 -0.140 0.000 1.124 382 I CB 1.322 39.262 38.000 -0.099 0.000 1.289 382 I HN 0.758 nan 8.210 nan 0.000 0.441 383 A N 7.598 130.228 122.820 -0.317 0.000 2.414 383 A HA 0.922 5.242 4.320 0.000 0.000 0.306 383 A C -0.672 176.622 177.584 -0.483 0.000 1.054 383 A CA -0.730 51.039 52.037 -0.446 0.000 0.724 383 A CB 1.310 19.916 19.000 -0.658 0.000 1.267 383 A HN 0.727 nan 8.150 nan 0.000 0.418 384 R N -0.047 120.242 120.500 -0.352 0.000 2.912 384 R HA 0.634 4.974 4.340 0.000 0.000 0.262 384 R C 0.355 176.565 176.300 -0.150 0.000 1.057 384 R CA -0.069 55.851 56.100 -0.299 0.000 0.981 384 R CB 1.774 31.763 30.300 -0.518 0.000 1.201 384 R HN 0.772 nan 8.270 nan 0.000 0.484 385 T N -2.771 111.737 114.554 -0.077 0.000 3.023 385 T HA 0.364 4.714 4.350 0.000 0.000 0.253 385 T C 0.716 175.369 174.700 -0.079 0.000 1.038 385 T CA 0.141 62.234 62.100 -0.011 0.000 0.962 385 T CB 0.734 69.637 68.868 0.059 0.000 1.018 385 T HN 0.727 nan 8.240 nan 0.000 0.521 386 G N -0.188 108.481 108.800 -0.219 0.000 2.428 386 G HA2 0.420 4.380 3.960 0.000 0.000 0.305 386 G HA3 0.420 4.380 3.960 0.000 0.000 0.305 386 G C -1.680 172.935 174.900 -0.475 0.000 1.260 386 G CA -0.872 44.092 45.100 -0.228 0.000 0.853 386 G HN 0.179 nan 8.290 nan 0.000 0.480 387 W N 0.281 121.587 121.300 0.009 0.000 2.518 387 W HA 0.522 5.182 4.660 0.000 0.000 0.352 387 W C 1.051 177.581 176.519 0.018 0.000 0.952 387 W CA 0.189 57.525 57.345 -0.015 0.000 1.624 387 W CB 1.363 30.791 29.460 -0.054 0.000 1.135 387 W HN 0.783 nan 8.180 nan 0.000 0.540 388 G N 0.808 109.724 108.800 0.194 0.000 2.613 388 G HA2 0.312 4.272 3.960 0.000 0.000 0.303 388 G HA3 0.312 4.272 3.960 0.000 0.000 0.303 388 G C -1.368 173.613 174.900 0.135 0.000 1.312 388 G CA -0.919 44.275 45.100 0.156 0.000 1.036 388 G HN -0.304 nan 8.290 nan 0.000 0.513 389 P HA -0.103 nan 4.420 nan 0.000 0.217 389 P C 0.845 178.210 177.300 0.109 0.000 1.148 389 P CA 1.008 64.171 63.100 0.104 0.000 0.828 389 P CB 0.303 32.049 31.700 0.077 0.000 0.783 390 E N 0.348 120.628 120.200 0.134 0.000 2.365 390 E HA 0.062 4.412 4.350 0.000 0.000 0.188 390 E C 0.406 177.189 176.600 0.305 0.000 1.102 390 E CA 0.169 56.691 56.400 0.204 0.000 0.927 390 E CB -0.283 29.522 29.700 0.175 0.000 1.073 390 E HN 0.346 nan 8.360 nan 0.000 0.467 391 S N -0.710 115.149 115.700 0.264 0.000 2.475 391 S HA 0.452 4.922 4.470 0.000 0.000 0.298 391 S C 0.208 175.030 174.600 0.371 0.000 1.119 391 S CA -0.889 57.451 58.200 0.233 0.000 1.085 391 S CB 2.204 65.441 63.200 0.062 0.000 1.028 391 S HN -0.120 nan 8.310 nan 0.000 0.489 392 V N 3.652 123.731 119.914 0.275 0.000 2.583 392 V HA 0.387 4.507 4.120 0.000 0.000 0.287 392 V C -0.077 176.113 176.094 0.159 0.000 1.051 392 V CA -0.408 62.056 62.300 0.274 0.000 1.010 392 V CB 0.400 32.324 31.823 0.169 0.000 0.988 392 V HN 0.858 nan 8.190 nan 0.000 0.478 393 I N 4.096 124.784 120.570 0.196 0.000 2.439 393 I HA 0.698 4.868 4.170 0.000 0.000 0.285 393 I C 0.055 176.189 176.117 0.028 0.000 1.021 393 I CA -0.334 60.992 61.300 0.044 0.000 1.091 393 I CB 1.702 39.728 38.000 0.044 0.000 1.242 393 I HN 0.686 nan 8.210 nan 0.000 0.439 394 A N 5.641 128.369 122.820 -0.154 0.000 2.355 394 A HA 0.754 5.074 4.320 0.000 0.000 0.317 394 A C -0.853 176.638 177.584 -0.155 0.000 1.094 394 A CA -0.495 51.455 52.037 -0.144 0.000 0.764 394 A CB 1.670 20.456 19.000 -0.356 0.000 1.230 394 A HN 0.715 nan 8.150 nan 0.000 0.448 395 E N 2.255 122.421 120.200 -0.055 0.000 2.234 395 E HA 0.660 5.010 4.350 0.000 0.000 0.266 395 E C -1.637 174.882 176.600 -0.134 0.000 0.877 395 E CA -0.447 55.888 56.400 -0.108 0.000 0.758 395 E CB 1.322 30.958 29.700 -0.107 0.000 1.170 395 E HN 0.687 nan 8.360 nan 0.000 0.415 396 M N 3.713 123.146 119.600 -0.279 0.000 2.204 396 M HA 0.422 4.902 4.480 0.000 0.000 0.293 396 M C -0.919 175.111 176.300 -0.451 0.000 0.994 396 M CA -0.563 54.336 55.300 -0.668 0.000 0.925 396 M CB 2.249 34.225 32.600 -1.041 0.000 1.577 396 M HN 0.114 nan 8.290 nan 0.000 0.439 397 K N 1.800 122.027 120.400 -0.288 0.000 2.316 397 K HA 0.661 4.981 4.320 0.000 0.000 0.251 397 K C -0.289 176.519 176.600 0.347 0.000 0.934 397 K CA -0.666 55.662 56.287 0.068 0.000 0.802 397 K CB 3.191 35.596 32.500 -0.159 0.000 1.171 397 K HN 0.420 nan 8.250 nan 0.000 0.426 398 V N 1.007 121.206 119.914 0.475 0.000 2.784 398 V HA 0.012 4.132 4.120 0.000 0.000 0.231 398 V C -0.516 175.791 176.094 0.354 0.000 1.128 398 V CA 0.128 62.666 62.300 0.397 0.000 1.178 398 V CB -0.384 31.638 31.823 0.332 0.000 0.943 398 V HN 0.929 nan 8.190 nan 0.000 0.500 399 N N 0.701 119.646 118.700 0.408 0.000 2.498 399 N HA -0.125 4.615 4.740 0.000 0.000 0.275 399 N C 0.287 175.899 175.510 0.168 0.000 1.306 399 N CA 0.640 53.903 53.050 0.355 0.000 0.648 399 N CB -1.004 37.688 38.487 0.342 0.000 0.918 399 N HN 0.605 nan 8.380 nan 0.000 0.520 400 E N -0.162 120.097 120.200 0.100 0.000 2.158 400 E HA -0.038 4.312 4.350 0.000 0.000 0.191 400 E C -0.178 176.322 176.600 -0.167 0.000 0.982 400 E CA 1.051 57.447 56.400 -0.008 0.000 0.823 400 E CB 0.244 29.964 29.700 0.034 0.000 0.766 400 E HN 0.561 nan 8.360 nan 0.000 0.468 401 Y N -0.592 119.717 120.300 0.015 0.000 2.570 401 Y HA 0.321 4.871 4.550 0.000 0.000 0.345 401 Y C -0.169 175.725 175.900 -0.009 0.000 1.014 401 Y CA -0.831 57.254 58.100 -0.026 0.000 1.063 401 Y CB 2.283 40.684 38.460 -0.098 0.000 1.272 401 Y HN -0.274 nan 8.280 nan 0.000 0.477 402 S N 0.926 116.704 115.700 0.130 0.000 2.472 402 S HA 0.450 4.920 4.470 0.000 0.000 0.303 402 S C -0.327 174.244 174.600 -0.048 0.000 1.099 402 S CA -0.431 57.861 58.200 0.155 0.000 1.077 402 S CB 0.345 63.671 63.200 0.210 0.000 1.031 402 S HN 0.575 nan 8.310 nan 0.000 0.487 403 F N 3.638 123.620 119.950 0.055 0.000 2.721 403 F HA 0.341 4.868 4.527 0.000 0.000 0.301 403 F C 0.820 176.600 175.800 -0.035 0.000 1.096 403 F CA -0.129 57.796 58.000 -0.125 0.000 1.308 403 F CB -0.208 38.571 39.000 -0.368 0.000 1.086 403 F HN 0.492 nan 8.300 nan 0.000 0.587 404 L N -0.637 120.731 121.223 0.242 0.000 7.382 404 L HA -0.429 3.911 4.340 0.000 0.000 0.055 404 L C 1.324 178.261 176.870 0.112 0.000 1.434 404 L CA 1.371 56.324 54.840 0.188 0.000 1.563 404 L CB -1.622 40.527 42.059 0.150 0.000 2.813 404 L HN 0.418 nan 8.230 nan 0.000 1.135 405 N N -2.462 116.217 118.700 -0.034 0.000 1.276 405 N HA -0.332 4.408 4.740 0.000 0.000 0.137 405 N C 0.931 176.395 175.510 -0.077 0.000 0.642 405 N CA 1.617 54.583 53.050 -0.141 0.000 0.986 405 N CB -0.723 37.671 38.487 -0.155 0.000 1.277 405 N HN 0.767 nan 8.380 nan 0.000 0.495 406 H N 1.095 120.220 119.070 0.092 0.000 2.547 406 H HA 0.075 4.631 4.556 0.000 0.000 0.266 406 H C 0.664 176.056 175.328 0.107 0.000 0.988 406 H CA 0.563 56.660 56.048 0.082 0.000 1.147 406 H CB -0.079 29.630 29.762 -0.089 0.000 1.365 406 H HN 0.371 nan 8.280 nan 0.000 0.589 407 Q N 0.614 120.565 119.800 0.252 0.000 2.299 407 Q HA 0.149 4.489 4.340 0.000 0.000 0.246 407 Q C -0.578 175.622 176.000 0.333 0.000 0.935 407 Q CA -0.284 55.654 55.803 0.224 0.000 0.887 407 Q CB 0.921 29.843 28.738 0.307 0.000 1.223 407 Q HN 0.483 nan 8.270 nan 0.000 0.439 408 H N 1.757 120.857 119.070 0.051 0.000 2.479 408 H HA 0.167 4.723 4.556 0.000 0.000 0.335 408 H C -0.497 174.803 175.328 -0.047 0.000 1.142 408 H CA -1.168 54.871 56.048 -0.014 0.000 1.234 408 H CB 1.278 30.976 29.762 -0.107 0.000 1.503 408 H HN 0.474 nan 8.280 nan 0.000 0.510 409 Q N 2.936 122.773 119.800 0.062 0.000 3.004 409 Q HA 0.022 4.362 4.340 0.000 0.000 0.256 409 Q C -0.301 175.578 176.000 -0.202 0.000 1.387 409 Q CA 0.006 55.787 55.803 -0.037 0.000 0.962 409 Q CB -0.582 28.116 28.738 -0.066 0.000 1.676 409 Q HN 0.615 nan 8.270 nan 0.000 0.568 410 D N -1.456 118.799 120.400 -0.242 0.000 2.804 410 D HA 0.213 4.853 4.640 0.000 0.000 0.308 410 D C -0.033 176.163 176.300 -0.174 0.000 1.371 410 D CA -0.684 53.040 54.000 -0.460 0.000 0.823 410 D CB -0.046 40.186 40.800 -0.947 0.000 1.126 410 D HN 0.153 nan 8.370 nan 0.000 0.467 411 A N 0.076 122.862 122.820 -0.058 0.000 2.540 411 A HA 0.484 4.804 4.320 0.000 0.000 0.239 411 A C 1.756 179.423 177.584 0.137 0.000 1.061 411 A CA 0.672 52.752 52.037 0.073 0.000 0.758 411 A CB -0.347 18.695 19.000 0.071 0.000 0.991 411 A HN 1.094 nan 8.150 nan 0.000 0.502 412 G N 0.504 109.457 108.800 0.256 0.000 2.179 412 G HA2 0.132 4.092 3.960 0.000 0.000 0.260 412 G HA3 0.132 4.092 3.960 0.000 0.000 0.260 412 G C 0.612 175.799 174.900 0.479 0.000 0.977 412 G CA 0.527 45.872 45.100 0.408 0.000 0.641 412 G HN 2.238 nan 8.290 nan 0.000 0.533 413 A N 0.058 123.027 122.820 0.248 0.000 2.462 413 A HA 0.669 4.989 4.320 0.000 0.000 0.243 413 A C 0.194 177.932 177.584 0.257 0.000 1.076 413 A CA 0.596 52.719 52.037 0.144 0.000 0.773 413 A CB 0.001 18.992 19.000 -0.016 0.000 1.010 413 A HN 1.618 nan 8.150 nan 0.000 0.493 414 F N -0.268 119.807 119.950 0.207 0.000 2.556 414 F HA 0.784 5.311 4.527 0.000 0.000 0.327 414 F C -0.253 175.606 175.800 0.098 0.000 1.059 414 F CA -0.936 57.152 58.000 0.147 0.000 0.953 414 F CB 1.585 40.764 39.000 0.300 0.000 1.227 414 F HN 0.591 nan 8.300 nan 0.000 0.478 415 Q N 2.419 122.359 119.800 0.233 0.000 2.315 415 Q HA 0.670 5.010 4.340 0.000 0.000 0.273 415 Q C -1.890 174.250 176.000 0.233 0.000 1.053 415 Q CA -0.748 55.151 55.803 0.161 0.000 0.817 415 Q CB 2.876 31.653 28.738 0.066 0.000 1.326 415 Q HN 0.891 nan 8.270 nan 0.000 0.423 416 I N 3.127 123.853 120.570 0.260 0.000 2.534 416 I HA 0.346 4.516 4.170 0.000 0.000 0.288 416 I C -1.387 174.891 176.117 0.268 0.000 1.077 416 I CA -0.928 60.533 61.300 0.268 0.000 1.051 416 I CB 1.755 39.939 38.000 0.307 0.000 1.234 416 I HN 0.615 nan 8.210 nan 0.000 0.425 417 Y N 7.384 127.773 120.300 0.147 0.000 2.377 417 Y HA 0.642 5.192 4.550 0.000 0.000 0.339 417 Y C -1.645 174.391 175.900 0.227 0.000 1.011 417 Y CA -0.822 57.365 58.100 0.144 0.000 1.093 417 Y CB 1.612 40.129 38.460 0.094 0.000 1.201 417 Y HN 0.525 nan 8.280 nan 0.000 0.455 418 Y N 5.627 125.651 120.300 -0.460 0.000 2.282 418 Y HA 0.233 4.783 4.550 0.000 0.000 0.317 418 Y C -0.764 174.875 175.900 -0.435 0.000 1.236 418 Y CA -1.733 56.203 58.100 -0.273 0.000 1.134 418 Y CB 0.796 39.237 38.460 -0.032 0.000 1.267 418 Y HN 0.776 nan 8.280 nan 0.000 0.410 419 K N 4.282 124.131 120.400 -0.920 0.000 3.311 419 K HA -0.092 4.229 4.320 0.000 0.000 0.270 419 K C 0.207 176.454 176.600 -0.588 0.000 0.927 419 K CA 1.413 57.294 56.287 -0.677 0.000 0.706 419 K CB -1.526 30.524 32.500 -0.750 0.000 1.418 419 K HN 1.522 nan 8.250 nan 0.000 0.459 420 G N -0.694 107.536 108.800 -0.950 0.000 2.428 420 G HA2 -0.004 3.956 3.960 0.000 0.000 0.681 420 G HA3 -0.004 3.956 3.960 0.000 0.000 0.681 420 G C -3.283 171.235 174.900 -0.637 0.000 1.340 420 G CA -1.206 43.565 45.100 -0.548 0.000 0.915 420 G HN -0.068 nan 8.290 nan 0.000 0.645 421 P HA 0.482 nan 4.420 nan 0.000 0.282 421 P C 0.738 178.051 177.300 0.023 0.000 1.262 421 P CA -0.362 62.774 63.100 0.059 0.000 0.773 421 P CB 0.916 32.700 31.700 0.140 0.000 0.879 422 L N 2.274 123.537 121.223 0.067 0.000 2.783 422 L HA 0.383 4.723 4.340 0.000 0.000 0.174 422 L C 1.103 178.056 176.870 0.139 0.000 1.235 422 L CA 0.091 54.986 54.840 0.092 0.000 0.862 422 L CB -0.838 41.286 42.059 0.109 0.000 1.249 422 L HN 0.200 nan 8.230 nan 0.000 0.518 423 A N 2.097 125.028 122.820 0.184 0.000 2.343 423 A HA 0.509 4.829 4.320 0.000 0.000 0.305 423 A C -0.089 177.571 177.584 0.127 0.000 1.308 423 A CA -0.383 51.767 52.037 0.189 0.000 0.949 423 A CB -0.573 18.621 19.000 0.323 0.000 1.148 423 A HN 0.372 nan 8.150 nan 0.000 0.545 424 I N -0.854 119.780 120.570 0.108 0.000 3.062 424 I HA 0.620 4.790 4.170 0.000 0.000 0.316 424 I C -0.569 175.555 176.117 0.011 0.000 1.041 424 I CA -0.903 60.445 61.300 0.081 0.000 1.069 424 I CB 1.650 39.702 38.000 0.087 0.000 1.300 424 I HN 0.378 nan 8.210 nan 0.000 0.518 425 D N 2.682 123.092 120.400 0.016 0.000 2.464 425 D HA 0.537 5.177 4.640 0.000 0.000 0.243 425 D C -0.198 176.111 176.300 0.014 0.000 1.104 425 D CA -0.197 53.777 54.000 -0.043 0.000 0.883 425 D CB 1.280 42.118 40.800 0.064 0.000 1.050 425 D HN 0.803 nan 8.370 nan 0.000 0.524 426 A N 1.869 124.597 122.820 -0.153 0.000 2.280 426 A HA 0.777 5.097 4.320 0.000 0.000 0.268 426 A C 0.970 178.852 177.584 0.496 0.000 1.111 426 A CA 0.474 52.602 52.037 0.153 0.000 0.814 426 A CB -0.026 19.052 19.000 0.130 0.000 1.093 426 A HN 1.003 nan 8.150 nan 0.000 0.498 427 G N -1.507 107.742 108.800 0.749 0.000 2.757 427 G HA2 0.328 4.288 3.960 0.000 0.000 0.638 427 G HA3 0.328 4.288 3.960 0.000 0.000 0.638 427 G C -0.168 174.917 174.900 0.307 0.000 1.344 427 G CA 0.165 45.667 45.100 0.670 0.000 0.855 427 G HN 2.117 nan 8.290 nan 0.000 0.537 428 S N -1.736 113.692 115.700 -0.453 0.000 2.533 428 S HA 0.544 5.014 4.470 0.000 0.000 0.271 428 S C 0.559 174.542 174.600 -1.028 0.000 1.143 428 S CA 0.502 58.292 58.200 -0.683 0.000 0.891 428 S CB 1.348 64.480 63.200 -0.114 0.000 1.105 428 S HN 1.592 nan 8.310 nan 0.000 0.468 429 Y N 4.143 123.959 120.300 -0.806 0.000 2.053 429 Y HA -0.058 4.492 4.550 0.000 0.000 0.277 429 Y C 1.536 177.376 175.900 -0.101 0.000 1.159 429 Y CA 2.562 60.545 58.100 -0.195 0.000 1.125 429 Y CB -0.624 37.935 38.460 0.164 0.000 0.969 429 Y HN 0.780 nan 8.280 nan 0.000 0.492 430 T N -1.858 112.619 114.554 -0.129 0.000 2.938 430 T HA 0.734 5.084 4.350 0.000 0.000 0.285 430 T C 0.229 174.841 174.700 -0.148 0.000 1.028 430 T CA -0.196 61.802 62.100 -0.170 0.000 1.005 430 T CB 1.734 70.545 68.868 -0.095 0.000 1.157 430 T HN 0.798 nan 8.240 nan 0.000 0.550 431 G N 0.088 108.819 108.800 -0.115 0.000 2.339 431 G HA2 0.257 4.217 3.960 0.000 0.000 0.275 431 G HA3 0.257 4.217 3.960 0.000 0.000 0.275 431 G C 0.669 175.521 174.900 -0.080 0.000 1.323 431 G CA 0.434 45.473 45.100 -0.101 0.000 0.927 431 G HN 1.504 nan 8.290 nan 0.000 0.486 432 S N -0.682 114.978 115.700 -0.067 0.000 2.442 432 S HA -0.045 4.425 4.470 0.000 0.000 0.236 432 S C 2.300 176.879 174.600 -0.035 0.000 1.007 432 S CA 2.445 60.622 58.200 -0.038 0.000 0.965 432 S CB -0.161 63.026 63.200 -0.022 0.000 0.773 432 S HN 1.421 nan 8.310 nan 0.000 0.504 433 S N 0.752 116.415 115.700 -0.061 0.000 2.428 433 S HA 0.399 4.869 4.470 0.000 0.000 0.230 433 S C 1.112 175.704 174.600 -0.014 0.000 1.014 433 S CA 1.042 59.230 58.200 -0.021 0.000 0.957 433 S CB -0.802 62.392 63.200 -0.010 0.000 0.784 433 S HN 1.256 nan 8.310 nan 0.000 0.499 434 G N -1.001 107.773 108.800 -0.044 0.000 2.295 434 G HA2 0.251 4.211 3.960 0.000 0.000 0.195 434 G HA3 0.251 4.211 3.960 0.000 0.000 0.195 434 G C 0.116 174.965 174.900 -0.085 0.000 1.269 434 G CA -0.245 44.832 45.100 -0.038 0.000 1.170 434 G HN 0.755 nan 8.290 nan 0.000 0.511 435 G N -1.902 106.852 108.800 -0.077 0.000 3.271 435 G HA2 0.493 4.454 3.960 0.000 0.000 0.174 435 G HA3 0.493 4.454 3.960 0.000 0.000 0.174 435 G C 0.915 175.721 174.900 -0.157 0.000 1.385 435 G CA 0.892 45.882 45.100 -0.183 0.000 0.979 435 G HN 1.075 nan 8.290 nan 0.000 0.610 436 Y N 1.075 121.252 120.300 -0.205 0.000 2.224 436 Y HA -0.081 4.469 4.550 0.000 0.000 0.289 436 Y C 2.135 178.133 175.900 0.162 0.000 1.146 436 Y CA 2.102 60.215 58.100 0.021 0.000 1.182 436 Y CB 0.222 38.755 38.460 0.121 0.000 0.983 436 Y HN 0.243 nan 8.280 nan 0.000 0.524 437 N N 0.562 119.423 118.700 0.268 0.000 2.314 437 N HA 0.019 4.759 4.740 0.000 0.000 0.200 437 N C 0.224 175.825 175.510 0.153 0.000 1.135 437 N CA 0.626 53.847 53.050 0.285 0.000 0.835 437 N CB -0.084 38.534 38.487 0.217 0.000 0.989 437 N HN 0.240 nan 8.380 nan 0.000 0.478 438 S N 1.105 116.856 115.700 0.084 0.000 2.573 438 S HA 0.163 4.633 4.470 0.000 0.000 0.277 438 S C -1.535 173.087 174.600 0.037 0.000 1.346 438 S CA -0.828 57.404 58.200 0.054 0.000 1.034 438 S CB 1.423 64.644 63.200 0.034 0.000 0.879 438 S HN -0.133 nan 8.310 nan 0.000 0.528 439 P HA -0.146 nan 4.420 nan 0.000 0.216 439 P C 1.305 178.563 177.300 -0.069 0.000 1.150 439 P CA 1.676 64.794 63.100 0.030 0.000 0.843 439 P CB -0.182 31.632 31.700 0.191 0.000 0.787 440 H N -0.502 118.535 119.070 -0.054 0.000 2.352 440 H HA -0.121 4.435 4.556 0.000 0.000 0.299 440 H C 1.940 177.219 175.328 -0.081 0.000 1.097 440 H CA 1.827 57.814 56.048 -0.103 0.000 1.311 440 H CB -0.518 29.133 29.762 -0.184 0.000 1.377 440 H HN -0.016 nan 8.280 nan 0.000 0.504 441 N N 0.381 119.045 118.700 -0.060 0.000 2.058 441 N HA -0.127 4.614 4.740 0.000 0.000 0.191 441 N C 1.675 177.091 175.510 -0.156 0.000 1.037 441 N CA 1.525 54.552 53.050 -0.037 0.000 0.848 441 N CB -0.106 38.392 38.487 0.018 0.000 1.021 441 N HN 0.443 nan 8.380 nan 0.000 0.422 442 K N 0.421 120.677 120.400 -0.240 0.000 2.217 442 K HA 0.077 4.397 4.320 0.000 0.000 0.202 442 K C 1.164 177.604 176.600 -0.266 0.000 1.051 442 K CA 0.747 56.906 56.287 -0.213 0.000 0.952 442 K CB 0.178 32.528 32.500 -0.251 0.000 0.736 442 K HN 0.222 nan 8.250 nan 0.000 0.453 443 N N -1.334 117.102 118.700 -0.441 0.000 2.273 443 N HA 0.050 4.790 4.740 0.000 0.000 0.192 443 N C 0.660 175.887 175.510 -0.471 0.000 1.132 443 N CA 0.461 53.117 53.050 -0.656 0.000 0.887 443 N CB 0.561 38.167 38.487 -1.468 0.000 1.048 443 N HN 0.059 nan 8.380 nan 0.000 0.490 444 F N -0.399 119.221 119.950 -0.551 0.000 2.017 444 F HA 0.240 4.767 4.527 0.000 0.000 0.245 444 F C 1.707 177.297 175.800 -0.350 0.000 1.060 444 F CA -0.398 57.358 58.000 -0.406 0.000 1.231 444 F CB -0.465 38.298 39.000 -0.394 0.000 1.527 444 F HN -0.281 nan 8.300 nan 0.000 0.636 445 F N 2.493 122.110 119.950 -0.555 0.000 2.043 445 F HA -0.197 4.330 4.527 0.000 0.000 0.297 445 F C 2.006 177.443 175.800 -0.606 0.000 1.118 445 F CA 2.168 59.876 58.000 -0.487 0.000 1.202 445 F CB -0.623 38.186 39.000 -0.319 0.000 0.965 445 F HN -0.060 nan 8.300 nan 0.000 0.482 446 K N -0.133 119.976 120.400 -0.486 0.000 2.487 446 K HA 0.009 4.329 4.320 0.000 0.000 0.192 446 K C 0.332 176.819 176.600 -0.188 0.000 1.027 446 K CA -0.004 55.981 56.287 -0.503 0.000 1.054 446 K CB 0.195 32.700 32.500 0.008 0.000 0.824 446 K HN 0.051 nan 8.250 nan 0.000 0.510 447 R N 0.042 120.389 120.500 -0.256 0.000 2.596 447 R HA 0.157 4.497 4.340 0.000 0.000 0.267 447 R C 1.231 177.447 176.300 -0.140 0.000 1.026 447 R CA -0.276 55.673 56.100 -0.251 0.000 1.087 447 R CB 0.290 30.374 30.300 -0.361 0.000 1.132 447 R HN -0.112 nan 8.270 nan 0.000 0.531 448 T N 0.894 115.367 114.554 -0.134 0.000 2.833 448 T HA -0.112 4.238 4.350 0.000 0.000 0.269 448 T C 1.787 176.494 174.700 0.011 0.000 1.054 448 T CA 1.026 63.107 62.100 -0.032 0.000 1.135 448 T CB -0.116 68.719 68.868 -0.056 0.000 0.869 448 T HN 0.526 nan 8.240 nan 0.000 0.466 449 I N 1.044 121.542 120.570 -0.119 0.000 2.567 449 I HA -0.141 4.029 4.170 0.000 0.000 0.257 449 I C 2.337 178.303 176.117 -0.251 0.000 1.184 449 I CA 0.724 61.951 61.300 -0.121 0.000 1.451 449 I CB -0.228 37.703 38.000 -0.115 0.000 1.089 449 I HN 0.224 nan 8.210 nan 0.000 0.441 450 A N -0.739 121.671 122.820 -0.682 0.000 2.206 450 A HA -0.009 4.312 4.320 0.000 0.000 0.211 450 A C 0.375 177.303 177.584 -1.092 0.000 1.158 450 A CA 0.583 51.944 52.037 -1.127 0.000 0.761 450 A CB -0.598 17.644 19.000 -1.264 0.000 0.801 450 A HN 0.560 nan 8.150 nan 0.000 0.473 451 H N -1.181 117.680 119.070 -0.348 0.000 2.710 451 H HA 0.369 4.925 4.556 0.000 0.000 0.361 451 H C -0.472 174.812 175.328 -0.073 0.000 1.175 451 H CA -1.246 54.657 56.048 -0.242 0.000 1.206 451 H CB 0.475 30.133 29.762 -0.174 0.000 1.750 451 H HN 0.055 nan 8.280 nan 0.000 0.553 452 N N 1.032 119.671 118.700 -0.101 0.000 2.744 452 N HA 0.043 4.783 4.740 0.000 0.000 0.290 452 N C -0.452 174.831 175.510 -0.377 0.000 1.206 452 N CA 0.189 52.961 53.050 -0.463 0.000 1.119 452 N CB 0.400 38.167 38.487 -1.200 0.000 1.449 452 N HN 0.437 nan 8.380 nan 0.000 0.514 453 S N 0.488 116.082 115.700 -0.176 0.000 3.605 453 S HA 0.664 5.134 4.470 0.000 0.000 0.301 453 S C -1.173 173.407 174.600 -0.034 0.000 1.083 453 S CA -0.571 57.604 58.200 -0.041 0.000 1.109 453 S CB 0.476 63.708 63.200 0.054 0.000 1.364 453 S HN 0.224 nan 8.310 nan 0.000 0.758 454 L N 1.917 123.209 121.223 0.116 0.000 2.362 454 L HA 0.606 4.946 4.340 0.000 0.000 0.275 454 L C -1.179 175.845 176.870 0.257 0.000 0.998 454 L CA -0.510 54.420 54.840 0.151 0.000 0.820 454 L CB 1.753 43.892 42.059 0.133 0.000 1.270 454 L HN 0.485 nan 8.230 nan 0.000 0.415 455 L N 4.094 125.488 121.223 0.285 0.000 2.325 455 L HA 0.596 4.936 4.340 0.000 0.000 0.278 455 L C -0.976 176.118 176.870 0.374 0.000 1.023 455 L CA -0.693 54.351 54.840 0.339 0.000 0.811 455 L CB 2.044 44.266 42.059 0.271 0.000 1.249 455 L HN 0.424 nan 8.230 nan 0.000 0.431 456 I N 2.555 123.289 120.570 0.273 0.000 2.439 456 I HA 0.216 4.386 4.170 0.000 0.000 0.285 456 I C -0.835 175.388 176.117 0.177 0.000 1.021 456 I CA -0.233 61.207 61.300 0.234 0.000 1.091 456 I CB 1.421 39.458 38.000 0.061 0.000 1.242 456 I HN 0.300 nan 8.210 nan 0.000 0.439 457 Y N 5.497 125.865 120.300 0.113 0.000 2.477 457 Y HA 0.358 4.908 4.550 0.000 0.000 0.349 457 Y C -0.051 175.621 175.900 -0.379 0.000 0.977 457 Y CA -0.335 57.710 58.100 -0.091 0.000 1.214 457 Y CB 0.431 38.874 38.460 -0.028 0.000 1.124 457 Y HN 0.520 nan 8.280 nan 0.000 0.521 458 D N 8.158 128.014 120.400 -0.906 0.000 2.317 458 D HA 0.263 4.903 4.640 0.000 0.000 0.234 458 D C -2.116 173.682 176.300 -0.836 0.000 1.112 458 D CA -2.669 50.644 54.000 -1.145 0.000 0.840 458 D CB 2.020 42.157 40.800 -1.104 0.000 1.078 458 D HN 0.283 nan 8.370 nan 0.000 0.486 459 P HA -0.013 nan 4.420 nan 0.000 0.226 459 P C 0.480 177.646 177.300 -0.224 0.000 1.153 459 P CA 0.905 63.854 63.100 -0.252 0.000 0.777 459 P CB 0.331 32.056 31.700 0.042 0.000 0.794 460 K N -0.648 119.610 120.400 -0.236 0.000 2.353 460 K HA 0.068 4.388 4.320 0.000 0.000 0.195 460 K C 0.759 177.213 176.600 -0.244 0.000 1.031 460 K CA -0.126 56.051 56.287 -0.183 0.000 1.079 460 K CB 0.327 32.760 32.500 -0.112 0.000 0.857 460 K HN 0.226 nan 8.250 nan 0.000 0.535 461 E N 2.367 122.366 120.200 -0.335 0.000 2.384 461 E HA -0.006 4.345 4.350 0.000 0.000 0.266 461 E C -0.666 175.704 176.600 -0.383 0.000 1.012 461 E CA 0.016 56.173 56.400 -0.404 0.000 0.901 461 E CB 0.680 30.064 29.700 -0.527 0.000 0.967 461 E HN 0.035 nan 8.360 nan 0.000 0.435 462 T N 1.284 115.578 114.554 -0.433 0.000 2.863 462 T HA 0.517 4.867 4.350 0.000 0.000 0.285 462 T C -0.692 173.792 174.700 -0.360 0.000 1.009 462 T CA -0.831 61.093 62.100 -0.293 0.000 0.989 462 T CB 0.574 69.249 68.868 -0.322 0.000 1.004 462 T HN 0.272 nan 8.240 nan 0.000 0.455 463 F N 1.894 121.819 119.950 -0.042 0.000 2.325 463 F HA 0.516 5.043 4.527 0.000 0.000 0.369 463 F C 0.937 176.766 175.800 0.048 0.000 1.095 463 F CA -0.940 57.009 58.000 -0.085 0.000 1.082 463 F CB 1.504 40.364 39.000 -0.233 0.000 1.289 463 F HN 0.708 nan 8.300 nan 0.000 0.462 464 S N 1.630 117.423 115.700 0.154 0.000 2.474 464 S HA 0.351 4.821 4.470 0.000 0.000 0.276 464 S C 0.689 175.302 174.600 0.021 0.000 1.227 464 S CA -0.086 58.151 58.200 0.063 0.000 1.050 464 S CB 0.452 63.663 63.200 0.019 0.000 0.939 464 S HN 0.673 nan 8.310 nan 0.000 0.490 465 S N 2.530 118.223 115.700 -0.012 0.000 2.819 465 S HA 0.084 4.554 4.470 0.000 0.000 0.249 465 S C 1.474 176.164 174.600 0.150 0.000 1.030 465 S CA 0.140 58.455 58.200 0.191 0.000 1.052 465 S CB -0.273 63.068 63.200 0.234 0.000 1.017 465 S HN 0.869 nan 8.310 nan 0.000 0.576 466 S N 1.623 117.310 115.700 -0.022 0.000 2.419 466 S HA -0.013 4.457 4.470 0.000 0.000 0.235 466 S C 1.694 176.242 174.600 -0.087 0.000 1.019 466 S CA 1.221 59.378 58.200 -0.071 0.000 0.982 466 S CB -0.977 62.135 63.200 -0.147 0.000 0.789 466 S HN 0.677 nan 8.310 nan 0.000 0.490 467 G N -0.656 108.145 108.800 0.002 0.000 3.189 467 G HA2 0.200 4.160 3.960 0.000 0.000 0.225 467 G HA3 0.200 4.160 3.960 0.000 0.000 0.225 467 G C -0.040 174.895 174.900 0.058 0.000 1.159 467 G CA -0.522 44.557 45.100 -0.035 0.000 0.763 467 G HN 0.603 nan 8.290 nan 0.000 0.549 468 Y N 1.831 122.159 120.300 0.048 0.000 2.335 468 Y HA 0.418 4.968 4.550 0.000 0.000 0.331 468 Y C 0.949 176.948 175.900 0.165 0.000 1.094 468 Y CA 0.422 58.534 58.100 0.020 0.000 1.253 468 Y CB 0.603 39.038 38.460 -0.042 0.000 1.203 468 Y HN 0.485 nan 8.280 nan 0.000 0.508 469 G N 3.315 111.914 108.800 -0.335 0.000 2.855 469 G HA2 -0.096 3.864 3.960 0.000 0.000 0.352 469 G HA3 -0.096 3.864 3.960 0.000 0.000 0.352 469 G C 0.343 175.324 174.900 0.135 0.000 1.415 469 G CA -0.294 44.758 45.100 -0.081 0.000 0.871 469 G HN 1.523 nan 8.290 nan 0.000 0.543 470 G N -1.053 107.765 108.800 0.031 0.000 3.993 470 G HA2 0.685 4.645 3.960 0.000 0.000 0.294 470 G HA3 0.685 4.645 3.960 0.000 0.000 0.294 470 G C 0.237 175.048 174.900 -0.149 0.000 1.043 470 G CA 1.452 46.572 45.100 0.032 0.000 0.839 470 G HN 2.064 nan 8.290 nan 0.000 0.516 471 S N -0.275 115.233 115.700 -0.320 0.000 2.580 471 S HA 0.363 4.833 4.470 0.000 0.000 0.281 471 S C -1.128 173.323 174.600 -0.248 0.000 1.129 471 S CA -0.193 57.830 58.200 -0.294 0.000 0.862 471 S CB 1.051 64.196 63.200 -0.092 0.000 1.090 471 S HN 0.206 nan 8.310 nan 0.000 0.451 472 D N 2.391 122.679 120.400 -0.187 0.000 2.699 472 D HA -0.122 4.518 4.640 0.000 0.000 0.239 472 D C -0.471 175.839 176.300 0.016 0.000 1.136 472 D CA 1.018 54.989 54.000 -0.048 0.000 0.668 472 D CB -1.229 39.584 40.800 0.022 0.000 1.060 472 D HN 0.636 nan 8.370 nan 0.000 0.429 473 H N 0.351 119.472 119.070 0.085 0.000 2.928 473 H HA 0.233 4.789 4.556 0.000 0.000 0.338 473 H C 0.778 176.147 175.328 0.068 0.000 1.047 473 H CA 0.718 56.818 56.048 0.086 0.000 1.435 473 H CB 0.883 30.682 29.762 0.061 0.000 1.428 473 H HN -0.044 nan 8.280 nan 0.000 0.590 474 T N 2.961 117.642 114.554 0.212 0.000 2.928 474 T HA 0.081 4.431 4.350 0.000 0.000 0.296 474 T C 0.686 175.397 174.700 0.019 0.000 1.000 474 T CA -0.696 61.471 62.100 0.111 0.000 0.989 474 T CB 1.265 70.202 68.868 0.114 0.000 1.005 474 T HN 0.459 nan 8.240 nan 0.000 0.442 475 D N 1.844 122.193 120.400 -0.084 0.000 2.183 475 D HA 0.133 4.773 4.640 0.000 0.000 0.203 475 D C -0.073 175.769 176.300 -0.764 0.000 0.969 475 D CA 1.311 55.060 54.000 -0.418 0.000 0.842 475 D CB 0.228 40.738 40.800 -0.485 0.000 0.957 475 D HN 0.448 nan 8.370 nan 0.000 0.484 476 F N -0.885 119.098 119.950 0.055 0.000 2.578 476 F HA 0.611 5.138 4.527 0.000 0.000 0.311 476 F C 0.155 175.963 175.800 0.014 0.000 1.094 476 F CA -1.303 56.719 58.000 0.036 0.000 0.923 476 F CB 1.692 40.711 39.000 0.031 0.000 1.230 476 F HN -0.292 nan 8.300 nan 0.000 0.450 477 A N 1.224 124.129 122.820 0.142 0.000 2.261 477 A HA 0.910 5.230 4.320 0.000 0.000 0.323 477 A C -0.356 177.191 177.584 -0.062 0.000 1.107 477 A CA -0.387 51.630 52.037 -0.033 0.000 0.883 477 A CB 0.587 19.461 19.000 -0.210 0.000 1.251 477 A HN 0.986 nan 8.150 nan 0.000 0.502 478 A N 0.239 122.957 122.820 -0.170 0.000 2.346 478 A HA 0.441 4.761 4.320 0.000 0.000 0.252 478 A C 0.304 177.687 177.584 -0.335 0.000 1.089 478 A CA -0.300 51.662 52.037 -0.124 0.000 0.797 478 A CB -0.157 18.827 19.000 -0.027 0.000 1.047 478 A HN 0.797 nan 8.150 nan 0.000 0.494 479 N N 0.790 119.380 118.700 -0.183 0.000 2.415 479 N HA 0.088 4.828 4.740 0.000 0.000 0.246 479 N C -0.236 175.174 175.510 -0.167 0.000 1.078 479 N CA -0.160 52.732 53.050 -0.263 0.000 0.942 479 N CB 0.744 39.198 38.487 -0.055 0.000 1.140 479 N HN 0.579 nan 8.380 nan 0.000 0.501 480 D N 2.380 122.565 120.400 -0.358 0.000 2.363 480 D HA 0.106 4.746 4.640 0.000 0.000 0.214 480 D C 0.878 177.299 176.300 0.201 0.000 1.093 480 D CA 0.081 54.114 54.000 0.054 0.000 0.837 480 D CB -0.442 40.284 40.800 -0.123 0.000 0.948 480 D HN 0.621 nan 8.370 nan 0.000 0.507 481 G N 0.082 108.911 108.800 0.048 0.000 2.225 481 G HA2 -0.191 3.769 3.960 0.000 0.000 0.267 481 G HA3 -0.191 3.769 3.960 0.000 0.000 0.267 481 G C 0.599 175.625 174.900 0.209 0.000 1.024 481 G CA 0.329 45.502 45.100 0.123 0.000 0.784 481 G HN 0.774 nan 8.290 nan 0.000 0.507 482 G N -1.301 107.585 108.800 0.144 0.000 2.782 482 G HA2 0.612 4.572 3.960 0.000 0.000 0.201 482 G HA3 0.612 4.572 3.960 0.000 0.000 0.201 482 G C 0.097 175.042 174.900 0.075 0.000 1.374 482 G CA -0.368 44.805 45.100 0.122 0.000 1.039 482 G HN 0.500 nan 8.290 nan 0.000 0.576 483 Q N -0.195 119.466 119.800 -0.231 0.000 2.312 483 Q HA 0.343 4.683 4.340 0.000 0.000 0.236 483 Q C 0.236 176.155 176.000 -0.134 0.000 0.965 483 Q CA -0.177 55.349 55.803 -0.463 0.000 0.894 483 Q CB 1.160 29.567 28.738 -0.551 0.000 1.225 483 Q HN 0.322 nan 8.270 nan 0.000 0.478 484 R N 0.678 121.076 120.500 -0.169 0.000 2.811 484 R HA 0.080 4.420 4.340 0.000 0.000 0.265 484 R C -0.465 175.745 176.300 -0.149 0.000 1.026 484 R CA 0.101 56.116 56.100 -0.140 0.000 1.142 484 R CB 0.135 30.328 30.300 -0.179 0.000 1.027 484 R HN 0.443 nan 8.270 nan 0.000 0.465 485 L N 3.941 125.048 121.223 -0.193 0.000 2.270 485 L HA 0.327 4.667 4.340 0.000 0.000 0.286 485 L C -2.030 174.765 176.870 -0.124 0.000 1.059 485 L CA -2.208 52.425 54.840 -0.346 0.000 0.839 485 L CB 0.863 42.492 42.059 -0.716 0.000 1.221 485 L HN 0.324 nan 8.230 nan 0.000 0.431 486 P HA 0.372 nan 4.420 nan 0.000 0.273 486 P C 0.391 177.670 177.300 -0.036 0.000 1.250 486 P CA 0.106 63.133 63.100 -0.122 0.000 0.793 486 P CB 0.799 32.431 31.700 -0.113 0.000 1.011 487 G N 0.038 108.633 108.800 -0.343 0.000 2.728 487 G HA2 -0.172 3.788 3.960 0.000 0.000 0.294 487 G HA3 -0.172 3.788 3.960 0.000 0.000 0.294 487 G C -1.148 173.758 174.900 0.010 0.000 1.342 487 G CA -0.779 44.285 45.100 -0.060 0.000 0.866 487 G HN 0.565 nan 8.290 nan 0.000 0.534 488 K N 1.057 121.504 120.400 0.078 0.000 2.171 488 K HA 0.477 4.797 4.320 0.000 0.000 0.274 488 K C 1.098 177.734 176.600 0.060 0.000 1.110 488 K CA 0.586 56.897 56.287 0.040 0.000 0.952 488 K CB 0.491 33.011 32.500 0.033 0.000 1.309 488 K HN 2.150 nan 8.250 nan 0.000 0.414 489 G N 3.043 111.876 108.800 0.054 0.000 2.338 489 G HA2 -0.244 3.716 3.960 0.000 0.000 0.296 489 G HA3 -0.244 3.716 3.960 0.000 0.000 0.296 489 G C -0.209 174.846 174.900 0.258 0.000 1.040 489 G CA -0.006 45.146 45.100 0.086 0.000 1.004 489 G HN 0.876 nan 8.290 nan 0.000 0.509 490 W N -2.392 118.937 121.300 0.048 0.000 4.543 490 W HA -0.154 4.506 4.660 0.000 0.000 0.375 490 W C -0.012 176.601 176.519 0.157 0.000 1.434 490 W CA 0.014 57.428 57.345 0.115 0.000 0.818 490 W CB -1.577 27.964 29.460 0.134 0.000 2.575 490 W HN 0.873 nan 8.180 nan 0.000 1.345 491 I N 1.390 122.112 120.570 0.253 0.000 2.689 491 I HA 0.708 4.878 4.170 0.000 0.000 0.299 491 I C 0.971 177.177 176.117 0.149 0.000 1.059 491 I CA -0.433 60.932 61.300 0.108 0.000 1.055 491 I CB 1.622 39.643 38.000 0.034 0.000 1.243 491 I HN 0.093 nan 8.210 nan 0.000 0.425 492 A N 7.942 130.782 122.820 0.033 0.000 2.492 492 A HA 0.408 4.728 4.320 0.000 0.000 0.236 492 A C -2.453 175.073 177.584 -0.097 0.000 1.078 492 A CA -0.625 51.380 52.037 -0.053 0.000 0.773 492 A CB -0.720 18.218 19.000 -0.104 0.000 1.023 492 A HN 0.485 nan 8.150 nan 0.000 0.504 493 P HA 0.246 nan 4.420 nan 0.000 0.278 493 P C 0.423 177.605 177.300 -0.197 0.000 1.258 493 P CA -0.467 62.483 63.100 -0.248 0.000 0.811 493 P CB 0.879 32.260 31.700 -0.531 0.000 1.063 494 R N 1.427 121.846 120.500 -0.135 0.000 2.080 494 R HA -0.128 4.212 4.340 0.000 0.000 0.236 494 R C 0.466 176.665 176.300 -0.168 0.000 1.137 494 R CA 2.403 58.429 56.100 -0.122 0.000 0.943 494 R CB -0.451 29.798 30.300 -0.085 0.000 0.846 494 R HN 0.701 nan 8.270 nan 0.000 0.431 495 D N -3.019 117.262 120.400 -0.197 0.000 2.825 495 D HA 0.024 4.664 4.640 0.000 0.000 0.327 495 D C 0.337 176.467 176.300 -0.284 0.000 1.277 495 D CA -0.561 53.307 54.000 -0.220 0.000 0.950 495 D CB -0.139 40.555 40.800 -0.177 0.000 1.438 495 D HN -0.003 nan 8.370 nan 0.000 0.526 496 L N 0.297 121.339 121.223 -0.301 0.000 2.093 496 L HA 0.077 4.418 4.340 0.000 0.000 0.208 496 L C 2.224 178.857 176.870 -0.395 0.000 1.085 496 L CA 1.972 56.551 54.840 -0.435 0.000 0.755 496 L CB -0.639 41.132 42.059 -0.481 0.000 0.904 496 L HN 0.646 nan 8.230 nan 0.000 0.435 497 K N -0.413 119.826 120.400 -0.269 0.000 2.063 497 K HA -0.274 4.046 4.320 0.000 0.000 0.208 497 K C 2.129 178.629 176.600 -0.167 0.000 1.048 497 K CA 2.044 58.210 56.287 -0.202 0.000 0.928 497 K CB -0.242 32.173 32.500 -0.141 0.000 0.713 497 K HN 0.516 nan 8.250 nan 0.000 0.442 498 E N 0.152 120.257 120.200 -0.158 0.000 2.112 498 E HA -0.166 4.184 4.350 0.000 0.000 0.190 498 E C 2.085 178.635 176.600 -0.084 0.000 0.979 498 E CA 0.840 57.182 56.400 -0.096 0.000 0.814 498 E CB -0.053 29.595 29.700 -0.087 0.000 0.762 498 E HN 0.419 nan 8.360 nan 0.000 0.460 499 M N 0.404 119.847 119.600 -0.262 0.000 2.086 499 M HA -0.171 4.309 4.480 0.000 0.000 0.261 499 M C 1.923 178.166 176.300 -0.096 0.000 1.067 499 M CA 1.460 56.540 55.300 -0.366 0.000 1.116 499 M CB 0.002 32.208 32.600 -0.657 0.000 1.348 499 M HN 0.178 nan 8.290 nan 0.000 0.407 500 L N 0.029 121.105 121.223 -0.245 0.000 2.141 500 L HA -0.104 4.236 4.340 0.000 0.000 0.209 500 L C 2.547 179.415 176.870 -0.004 0.000 1.094 500 L CA 0.957 55.702 54.840 -0.159 0.000 0.763 500 L CB -0.769 41.116 42.059 -0.289 0.000 0.908 500 L HN 0.427 nan 8.230 nan 0.000 0.437 501 A N -0.260 122.555 122.820 -0.008 0.000 2.169 501 A HA 0.209 4.529 4.320 0.000 0.000 0.212 501 A C 1.582 179.195 177.584 0.049 0.000 1.153 501 A CA 0.768 52.813 52.037 0.012 0.000 0.756 501 A CB -0.551 18.442 19.000 -0.011 0.000 0.813 501 A HN 0.370 nan 8.150 nan 0.000 0.471 502 G N 0.112 108.998 108.800 0.143 0.000 2.666 502 G HA2 0.328 4.288 3.960 0.000 0.000 0.207 502 G HA3 0.328 4.288 3.960 0.000 0.000 0.207 502 G C 0.040 174.887 174.900 -0.089 0.000 1.481 502 G CA 0.499 45.646 45.100 0.079 0.000 1.071 502 G HN 0.351 nan 8.290 nan 0.000 0.572 503 D N -1.057 119.081 120.400 -0.437 0.000 2.772 503 D HA 0.158 4.798 4.640 0.000 0.000 0.272 503 D C 0.141 176.178 176.300 -0.439 0.000 1.314 503 D CA -0.402 53.372 54.000 -0.378 0.000 0.835 503 D CB -0.254 40.320 40.800 -0.378 0.000 1.080 503 D HN 0.213 nan 8.370 nan 0.000 0.482 504 F N 0.483 120.422 119.950 -0.017 0.000 2.765 504 F HA 0.226 4.753 4.527 0.000 0.000 0.302 504 F C 1.347 177.104 175.800 -0.072 0.000 1.111 504 F CA -0.619 57.377 58.000 -0.006 0.000 1.359 504 F CB 0.143 39.146 39.000 0.006 0.000 1.097 504 F HN -0.156 nan 8.300 nan 0.000 0.577 505 R N 0.966 121.396 120.500 -0.117 0.000 2.265 505 R HA 0.189 4.529 4.340 0.000 0.000 0.314 505 R C 0.906 177.045 176.300 -0.268 0.000 1.053 505 R CA 0.503 56.305 56.100 -0.496 0.000 0.931 505 R CB 0.634 30.624 30.300 -0.517 0.000 1.024 505 R HN 0.181 nan 8.270 nan 0.000 0.457 506 T N 0.073 114.480 114.554 -0.245 0.000 3.040 506 T HA 0.398 4.748 4.350 0.000 0.000 0.266 506 T C 0.493 175.162 174.700 -0.051 0.000 1.005 506 T CA 0.083 62.121 62.100 -0.103 0.000 0.906 506 T CB 0.831 69.677 68.868 -0.036 0.000 1.082 506 T HN 0.636 nan 8.240 nan 0.000 0.531 507 G N 0.294 109.042 108.800 -0.088 0.000 2.349 507 G HA2 0.517 4.477 3.960 0.000 0.000 0.294 507 G HA3 0.517 4.477 3.960 0.000 0.000 0.294 507 G C -2.391 172.501 174.900 -0.013 0.000 1.380 507 G CA -0.960 44.136 45.100 -0.007 0.000 0.811 507 G HN 0.351 nan 8.290 nan 0.000 0.519 508 K N 0.093 120.516 120.400 0.039 0.000 2.553 508 K HA 0.622 4.942 4.320 0.000 0.000 0.250 508 K C -0.807 175.841 176.600 0.080 0.000 0.953 508 K CA -0.649 55.667 56.287 0.048 0.000 0.800 508 K CB 1.314 33.838 32.500 0.039 0.000 1.243 508 K HN 0.477 nan 8.250 nan 0.000 0.435 509 I N 6.466 127.089 120.570 0.089 0.000 2.556 509 I HA 0.059 4.229 4.170 0.000 0.000 0.284 509 I C 0.647 176.813 176.117 0.082 0.000 1.114 509 I CA 0.094 61.458 61.300 0.107 0.000 1.418 509 I CB 0.597 38.678 38.000 0.134 0.000 1.394 509 I HN 0.656 nan 8.210 nan 0.000 0.552 510 L N 6.042 127.310 121.223 0.076 0.000 2.577 510 L HA 0.497 4.837 4.340 0.000 0.000 0.225 510 L C 0.582 177.494 176.870 0.069 0.000 1.053 510 L CA 0.121 55.006 54.840 0.076 0.000 0.866 510 L CB 0.215 42.330 42.059 0.092 0.000 1.132 510 L HN 0.728 nan 8.230 nan 0.000 0.486 511 A N 0.302 123.140 122.820 0.029 0.000 2.605 511 A HA 0.709 5.029 4.320 0.000 0.000 0.294 511 A C -1.799 175.683 177.584 -0.171 0.000 1.062 511 A CA -0.425 51.621 52.037 0.014 0.000 0.682 511 A CB 1.663 20.770 19.000 0.178 0.000 1.278 511 A HN 0.097 nan 8.150 nan 0.000 0.410 512 Q N -0.015 119.692 119.800 -0.155 0.000 2.578 512 Q HA 0.807 5.147 4.340 0.000 0.000 0.284 512 Q C -0.376 175.551 176.000 -0.122 0.000 0.960 512 Q CA -0.174 55.452 55.803 -0.294 0.000 0.809 512 Q CB 0.992 29.353 28.738 -0.628 0.000 1.462 512 Q HN 2.464 nan 8.270 nan 0.000 0.392 513 G N 0.000 108.776 108.800 -0.041 0.000 2.320 513 G HA2 0.519 4.479 3.960 0.000 0.000 0.297 513 G HA3 0.519 4.479 3.960 0.000 0.000 0.297 513 G C -2.084 172.859 174.900 0.072 0.000 1.344 513 G CA -0.338 44.704 45.100 -0.097 0.000 0.851 513 G HN 1.276 nan 8.290 nan 0.000 0.567 514 F N -1.494 118.397 119.950 -0.098 0.000 2.628 514 F HA 0.941 5.469 4.527 0.000 0.000 0.309 514 F C 0.181 175.646 175.800 -0.557 0.000 1.108 514 F CA -0.482 57.278 58.000 -0.400 0.000 0.971 514 F CB 1.539 40.413 39.000 -0.209 0.000 1.279 514 F HN 1.590 nan 8.300 nan 0.000 0.441 515 G N 1.366 109.674 108.800 -0.820 0.000 2.428 515 G HA2 0.480 4.440 3.960 0.000 0.000 0.305 515 G HA3 0.480 4.440 3.960 0.000 0.000 0.305 515 G C -3.071 171.520 174.900 -0.515 0.000 1.260 515 G CA -0.831 43.978 45.100 -0.485 0.000 0.853 515 G HN 0.314 nan 8.290 nan 0.000 0.480 516 P HA 0.131 nan 4.420 nan 0.000 0.222 516 P C -0.177 177.058 177.300 -0.107 0.000 1.153 516 P CA 0.664 63.608 63.100 -0.261 0.000 0.798 516 P CB 0.177 31.722 31.700 -0.259 0.000 0.796 517 D N -0.637 119.727 120.400 -0.061 0.000 2.256 517 D HA 0.017 4.657 4.640 0.000 0.000 0.250 517 D C 0.947 177.286 176.300 0.065 0.000 1.093 517 D CA -0.044 53.960 54.000 0.008 0.000 0.882 517 D CB 0.645 41.459 40.800 0.023 0.000 1.185 517 D HN -0.098 nan 8.370 nan 0.000 0.437 518 N N 1.744 120.503 118.700 0.100 0.000 2.244 518 N HA -0.209 4.531 4.740 0.000 0.000 0.183 518 N C 1.417 177.033 175.510 0.176 0.000 1.016 518 N CA 1.342 54.521 53.050 0.215 0.000 0.866 518 N CB 0.274 38.858 38.487 0.162 0.000 0.980 518 N HN 0.235 nan 8.380 nan 0.000 0.430 519 Q N -0.540 119.322 119.800 0.104 0.000 2.204 519 Q HA 0.094 4.434 4.340 0.000 0.000 0.198 519 Q C -0.258 175.778 176.000 0.060 0.000 0.946 519 Q CA 1.126 56.982 55.803 0.088 0.000 0.859 519 Q CB 0.231 29.020 28.738 0.085 0.000 0.946 519 Q HN 0.364 nan 8.270 nan 0.000 0.474 520 T N -0.564 114.016 114.554 0.043 0.000 3.317 520 T HA 0.458 4.808 4.350 0.000 0.000 0.361 520 T C -2.841 171.861 174.700 0.004 0.000 1.499 520 T CA -1.861 60.253 62.100 0.023 0.000 1.529 520 T CB 1.175 70.066 68.868 0.038 0.000 0.997 520 T HN 0.020 nan 8.240 nan 0.000 0.624 521 P HA 0.261 nan 4.420 nan 0.000 0.271 521 P C 0.093 177.368 177.300 -0.041 0.000 1.226 521 P CA -0.038 63.026 63.100 -0.061 0.000 0.765 521 P CB 1.036 32.699 31.700 -0.062 0.000 0.835 522 D N 1.757 122.133 120.400 -0.040 0.000 2.221 522 D HA -0.105 4.535 4.640 0.000 0.000 0.204 522 D C 0.679 177.055 176.300 0.127 0.000 0.982 522 D CA 1.842 55.871 54.000 0.049 0.000 0.857 522 D CB -0.290 40.569 40.800 0.099 0.000 0.934 522 D HN 0.576 nan 8.370 nan 0.000 0.475 523 Y N -2.628 117.711 120.300 0.066 0.000 2.581 523 Y HA 0.664 5.214 4.550 0.000 0.000 0.345 523 Y C -0.895 175.149 175.900 0.240 0.000 1.036 523 Y CA -1.194 56.978 58.100 0.121 0.000 1.042 523 Y CB 1.243 39.741 38.460 0.064 0.000 1.289 523 Y HN -0.413 nan 8.280 nan 0.000 0.471 524 T N 3.024 117.860 114.554 0.470 0.000 2.937 524 T HA 0.354 4.704 4.350 0.000 0.000 0.297 524 T C -2.208 172.828 174.700 0.560 0.000 0.991 524 T CA -0.528 61.830 62.100 0.430 0.000 0.990 524 T CB 0.715 69.750 68.868 0.279 0.000 0.991 524 T HN 0.664 nan 8.240 nan 0.000 0.440 525 Y N 3.785 124.310 120.300 0.375 0.000 2.462 525 Y HA 0.817 5.367 4.550 0.000 0.000 0.346 525 Y C -1.847 174.195 175.900 0.236 0.000 0.976 525 Y CA -1.757 56.540 58.100 0.329 0.000 1.044 525 Y CB 1.338 39.990 38.460 0.320 0.000 1.230 525 Y HN 0.634 nan 8.280 nan 0.000 0.455 526 L N 5.496 126.503 121.223 -0.359 0.000 2.505 526 L HA 0.630 4.970 4.340 0.000 0.000 0.259 526 L C -1.994 174.741 176.870 -0.226 0.000 0.952 526 L CA -0.595 54.062 54.840 -0.306 0.000 0.840 526 L CB 2.255 44.353 42.059 0.065 0.000 1.358 526 L HN 0.724 nan 8.230 nan 0.000 0.409 527 K N 2.408 122.707 120.400 -0.168 0.000 2.501 527 K HA 0.856 5.176 4.320 0.000 0.000 0.252 527 K C -1.303 175.363 176.600 0.110 0.000 0.934 527 K CA -0.454 55.848 56.287 0.026 0.000 0.797 527 K CB 2.171 34.693 32.500 0.037 0.000 1.270 527 K HN 0.913 nan 8.250 nan 0.000 0.431 528 G N 1.719 110.608 108.800 0.148 0.000 2.706 528 G HA2 0.225 4.185 3.960 0.000 0.000 0.297 528 G HA3 0.225 4.185 3.960 0.000 0.000 0.297 528 G C -1.844 173.124 174.900 0.114 0.000 1.403 528 G CA -0.439 44.750 45.100 0.147 0.000 0.954 528 G HN 0.540 nan 8.290 nan 0.000 0.500 529 D N 1.472 121.930 120.400 0.097 0.000 2.359 529 D HA 0.228 4.868 4.640 0.000 0.000 0.230 529 D C 1.045 177.399 176.300 0.089 0.000 1.118 529 D CA -0.587 53.459 54.000 0.078 0.000 0.844 529 D CB 1.140 41.977 40.800 0.062 0.000 1.059 529 D HN 0.401 nan 8.370 nan 0.000 0.493 530 I N 1.040 121.678 120.570 0.113 0.000 3.736 530 I HA 0.184 4.355 4.170 0.000 0.000 0.338 530 I C 0.911 177.141 176.117 0.189 0.000 1.558 530 I CA -0.587 60.800 61.300 0.146 0.000 1.147 530 I CB 0.305 38.422 38.000 0.196 0.000 1.275 530 I HN 0.003 nan 8.210 nan 0.000 0.454 531 T N 1.375 116.004 114.554 0.124 0.000 2.746 531 T HA -0.126 4.224 4.350 0.000 0.000 0.267 531 T C 2.100 176.879 174.700 0.132 0.000 1.039 531 T CA 1.863 64.039 62.100 0.125 0.000 1.142 531 T CB -0.038 68.862 68.868 0.052 0.000 0.866 531 T HN 0.644 nan 8.240 nan 0.000 0.444 532 A N 1.212 124.067 122.820 0.058 0.000 2.121 532 A HA 0.287 4.607 4.320 0.000 0.000 0.218 532 A C 2.555 180.129 177.584 -0.017 0.000 1.154 532 A CA 1.403 53.441 52.037 0.001 0.000 0.679 532 A CB -0.826 18.142 19.000 -0.053 0.000 0.795 532 A HN 0.501 nan 8.150 nan 0.000 0.458 533 A N -1.404 121.417 122.820 0.002 0.000 2.019 533 A HA 0.160 4.480 4.320 0.000 0.000 0.219 533 A C 0.910 178.335 177.584 -0.265 0.000 1.164 533 A CA 0.743 52.697 52.037 -0.138 0.000 0.644 533 A CB -0.365 18.520 19.000 -0.193 0.000 0.805 533 A HN 0.509 nan 8.150 nan 0.000 0.449 534 Y N -0.587 119.695 120.300 -0.030 0.000 2.545 534 Y HA 0.464 5.014 4.550 0.000 0.000 0.324 534 Y C 1.340 177.195 175.900 -0.076 0.000 1.220 534 Y CA -0.402 57.674 58.100 -0.040 0.000 1.290 534 Y CB 0.786 39.238 38.460 -0.014 0.000 1.355 534 Y HN 0.187 nan 8.280 nan 0.000 0.516 535 S N 0.004 115.747 115.700 0.072 0.000 2.607 535 S HA 0.455 4.925 4.470 0.000 0.000 0.272 535 S C 1.183 175.784 174.600 0.001 0.000 1.166 535 S CA -0.190 57.986 58.200 -0.039 0.000 1.021 535 S CB 0.305 63.419 63.200 -0.143 0.000 1.113 535 S HN 0.780 nan 8.310 nan 0.000 0.531 536 A N 0.619 123.424 122.820 -0.026 0.000 2.209 536 A HA 0.004 4.324 4.320 0.000 0.000 0.212 536 A C 2.065 179.677 177.584 0.046 0.000 1.158 536 A CA 1.103 53.141 52.037 0.002 0.000 0.742 536 A CB -0.958 18.035 19.000 -0.012 0.000 0.790 536 A HN 0.854 nan 8.150 nan 0.000 0.472 537 K N 0.449 120.883 120.400 0.057 0.000 2.442 537 K HA -0.072 4.248 4.320 0.000 0.000 0.199 537 K C 0.195 176.900 176.600 0.175 0.000 1.044 537 K CA 1.433 57.828 56.287 0.180 0.000 0.941 537 K CB -0.909 31.580 32.500 -0.019 0.000 0.759 537 K HN 0.483 nan 8.250 nan 0.000 0.472 538 V N -1.973 117.980 119.914 0.065 0.000 2.735 538 V HA 0.340 4.460 4.120 0.000 0.000 0.310 538 V C 0.440 176.534 176.094 -0.000 0.000 1.061 538 V CA -1.150 61.156 62.300 0.010 0.000 0.913 538 V CB 1.970 33.743 31.823 -0.084 0.000 1.005 538 V HN -0.043 nan 8.190 nan 0.000 0.428 539 K N 1.058 121.447 120.400 -0.019 0.000 2.314 539 K HA 0.291 4.611 4.320 0.000 0.000 0.198 539 K C 0.357 176.944 176.600 -0.022 0.000 1.045 539 K CA 0.809 57.084 56.287 -0.019 0.000 0.988 539 K CB 0.490 32.974 32.500 -0.026 0.000 0.783 539 K HN 0.895 nan 8.250 nan 0.000 0.484 540 E N 0.491 120.666 120.200 -0.041 0.000 2.481 540 E HA 0.159 4.509 4.350 0.000 0.000 0.301 540 E C -1.959 174.598 176.600 -0.072 0.000 0.948 540 E CA -0.429 55.947 56.400 -0.040 0.000 0.804 540 E CB 1.726 31.402 29.700 -0.039 0.000 1.265 540 E HN -0.206 nan 8.360 nan 0.000 0.406 541 V N 4.228 124.114 119.914 -0.046 0.000 2.525 541 V HA 0.530 4.650 4.120 0.000 0.000 0.299 541 V C -0.596 175.492 176.094 -0.009 0.000 1.034 541 V CA -0.734 61.529 62.300 -0.062 0.000 0.863 541 V CB 1.867 33.627 31.823 -0.105 0.000 0.999 541 V HN 0.575 nan 8.190 nan 0.000 0.423 542 K N 3.404 123.782 120.400 -0.037 0.000 2.427 542 K HA 0.753 5.073 4.320 0.000 0.000 0.252 542 K C -0.855 175.711 176.600 -0.057 0.000 0.931 542 K CA -0.883 55.396 56.287 -0.014 0.000 0.793 542 K CB 3.051 35.549 32.500 -0.003 0.000 1.211 542 K HN 0.675 nan 8.250 nan 0.000 0.426 543 R N 1.199 121.672 120.500 -0.046 0.000 2.532 543 R HA 0.400 4.740 4.340 0.000 0.000 0.297 543 R C -1.425 174.756 176.300 -0.198 0.000 0.984 543 R CA -0.373 55.627 56.100 -0.167 0.000 0.884 543 R CB 1.675 31.848 30.300 -0.211 0.000 1.182 543 R HN 0.536 nan 8.270 nan 0.000 0.442 544 S N 4.416 120.002 115.700 -0.190 0.000 2.478 544 S HA 0.535 5.005 4.470 0.000 0.000 0.312 544 S C -1.266 173.315 174.600 -0.033 0.000 1.094 544 S CA -0.516 57.709 58.200 0.041 0.000 1.081 544 S CB 0.595 64.006 63.200 0.352 0.000 1.007 544 S HN 0.400 nan 8.310 nan 0.000 0.475 545 F N 2.297 122.405 119.950 0.263 0.000 2.443 545 F HA 0.659 5.186 4.527 0.000 0.000 0.335 545 F C -0.212 175.834 175.800 0.410 0.000 1.104 545 F CA -1.137 57.026 58.000 0.273 0.000 1.013 545 F CB 0.886 40.014 39.000 0.213 0.000 1.136 545 F HN 0.315 nan 8.300 nan 0.000 0.470 546 L N 4.616 126.187 121.223 0.579 0.000 2.372 546 L HA 0.509 4.849 4.340 0.000 0.000 0.273 546 L C -1.401 175.709 176.870 0.400 0.000 0.989 546 L CA -0.519 54.635 54.840 0.524 0.000 0.841 546 L CB 0.853 43.151 42.059 0.399 0.000 1.225 546 L HN 0.587 nan 8.230 nan 0.000 0.414 547 F N 5.525 125.639 119.950 0.272 0.000 2.394 547 F HA 0.647 5.174 4.527 0.000 0.000 0.340 547 F C -1.135 174.765 175.800 0.167 0.000 1.105 547 F CA -0.414 57.693 58.000 0.178 0.000 1.124 547 F CB 0.884 39.965 39.000 0.135 0.000 1.145 547 F HN 0.293 nan 8.300 nan 0.000 0.505 548 L N 5.735 126.556 121.223 -0.671 0.000 2.333 548 L HA 0.324 4.664 4.340 0.000 0.000 0.280 548 L C -0.685 175.763 176.870 -0.703 0.000 1.004 548 L CA -0.919 53.657 54.840 -0.439 0.000 0.820 548 L CB 1.519 43.420 42.059 -0.262 0.000 1.247 548 L HN 0.587 nan 8.230 nan 0.000 0.416 549 N N 4.083 122.643 118.700 -0.234 0.000 2.500 549 N HA 0.226 4.966 4.740 0.000 0.000 0.236 549 N C 0.427 175.899 175.510 -0.064 0.000 1.022 549 N CA -0.205 52.793 53.050 -0.087 0.000 0.935 549 N CB 0.986 39.543 38.487 0.117 0.000 1.147 549 N HN 0.622 nan 8.380 nan 0.000 0.512 550 L N 2.358 123.526 121.223 -0.093 0.000 2.622 550 L HA 0.045 4.385 4.340 0.000 0.000 0.233 550 L C 0.568 177.429 176.870 -0.017 0.000 1.156 550 L CA 0.090 54.896 54.840 -0.058 0.000 0.866 550 L CB -0.313 41.714 42.059 -0.053 0.000 0.980 550 L HN 0.436 nan 8.230 nan 0.000 0.448 551 K N 1.201 121.599 120.400 -0.003 0.000 3.278 551 K HA -0.227 4.093 4.320 0.000 0.000 0.270 551 K C -0.513 176.098 176.600 0.019 0.000 0.955 551 K CA 0.799 57.095 56.287 0.015 0.000 0.723 551 K CB -1.648 30.864 32.500 0.020 0.000 1.382 551 K HN 0.420 nan 8.250 nan 0.000 0.461 552 D N -1.993 118.418 120.400 0.018 0.000 2.947 552 D HA 0.587 5.227 4.640 0.000 0.000 0.224 552 D C 0.778 177.091 176.300 0.022 0.000 1.230 552 D CA 0.166 54.183 54.000 0.029 0.000 0.871 552 D CB 1.577 42.408 40.800 0.051 0.000 1.671 552 D HN 0.035 nan 8.370 nan 0.000 0.507 553 A N 3.732 126.571 122.820 0.031 0.000 1.845 553 A HA -0.161 4.159 4.320 0.000 0.000 0.215 553 A C 1.777 179.378 177.584 0.028 0.000 1.195 553 A CA 1.519 53.578 52.037 0.038 0.000 0.616 553 A CB -0.429 18.597 19.000 0.042 0.000 0.832 553 A HN 0.656 nan 8.150 nan 0.000 0.443 554 K N -1.053 119.358 120.400 0.018 0.000 2.001 554 K HA -0.069 4.251 4.320 0.000 0.000 0.214 554 K C -0.125 176.462 176.600 -0.023 0.000 1.050 554 K CA 1.484 57.771 56.287 -0.000 0.000 0.934 554 K CB -0.260 32.227 32.500 -0.022 0.000 0.718 554 K HN 0.268 nan 8.250 nan 0.000 0.443 555 V N 2.161 122.060 119.914 -0.025 0.000 2.327 555 V HA 0.117 4.237 4.120 0.000 0.000 0.272 555 V C -2.219 173.853 176.094 -0.037 0.000 1.019 555 V CA -1.116 61.160 62.300 -0.041 0.000 0.814 555 V CB 1.442 33.246 31.823 -0.031 0.000 1.040 555 V HN 0.077 nan 8.190 nan 0.000 0.440 556 P HA 0.149 nan 4.420 nan 0.000 0.222 556 P C 0.338 177.568 177.300 -0.117 0.000 1.153 556 P CA 0.903 63.935 63.100 -0.112 0.000 0.798 556 P CB 0.550 32.132 31.700 -0.197 0.000 0.796 557 A N -1.535 121.192 122.820 -0.155 0.000 2.606 557 A HA 0.772 5.092 4.320 0.000 0.000 0.293 557 A C -1.527 175.930 177.584 -0.211 0.000 1.082 557 A CA -0.290 51.610 52.037 -0.228 0.000 0.685 557 A CB 1.279 20.201 19.000 -0.130 0.000 1.284 557 A HN 0.066 nan 8.150 nan 0.000 0.408 558 A N 0.867 123.481 122.820 -0.344 0.000 2.527 558 A HA 0.919 5.239 4.320 0.000 0.000 0.293 558 A C -0.801 176.634 177.584 -0.247 0.000 1.117 558 A CA -0.350 51.571 52.037 -0.194 0.000 0.723 558 A CB 1.597 20.523 19.000 -0.123 0.000 1.313 558 A HN 1.725 nan 8.150 nan 0.000 0.411 559 M N 1.608 121.181 119.600 -0.045 0.000 2.326 559 M HA 0.646 5.126 4.480 0.000 0.000 0.292 559 M C -2.189 174.147 176.300 0.059 0.000 1.081 559 M CA -0.476 54.857 55.300 0.056 0.000 0.919 559 M CB 1.284 33.996 32.600 0.186 0.000 1.634 559 M HN 0.616 nan 8.290 nan 0.000 0.451 560 I N 4.647 125.287 120.570 0.115 0.000 2.412 560 I HA 0.563 4.733 4.170 0.000 0.000 0.296 560 I C -0.979 175.224 176.117 0.144 0.000 0.987 560 I CA -0.850 60.524 61.300 0.124 0.000 1.180 560 I CB 2.049 40.163 38.000 0.191 0.000 1.340 560 I HN 0.398 nan 8.210 nan 0.000 0.455 561 V N 6.296 126.242 119.914 0.053 0.000 2.482 561 V HA 0.365 4.485 4.120 0.000 0.000 0.295 561 V C -0.985 175.099 176.094 -0.017 0.000 1.026 561 V CA -0.657 61.648 62.300 0.009 0.000 0.856 561 V CB 1.655 33.484 31.823 0.011 0.000 1.001 561 V HN 0.448 nan 8.190 nan 0.000 0.424 562 F N 4.468 124.211 119.950 -0.345 0.000 2.449 562 F HA 0.724 5.251 4.527 0.000 0.000 0.342 562 F C -0.401 175.278 175.800 -0.201 0.000 1.127 562 F CA -0.626 57.105 58.000 -0.448 0.000 0.975 562 F CB 1.299 39.587 39.000 -1.187 0.000 1.146 562 F HN 0.521 nan 8.300 nan 0.000 0.444 563 D N 4.916 124.977 120.400 -0.564 0.000 2.433 563 D HA 0.301 4.941 4.640 0.000 0.000 0.236 563 D C -1.276 174.728 176.300 -0.494 0.000 1.026 563 D CA -0.656 53.118 54.000 -0.376 0.000 0.884 563 D CB 2.618 43.420 40.800 0.003 0.000 1.384 563 D HN 0.506 nan 8.370 nan 0.000 0.477 564 K N 0.718 120.902 120.400 -0.361 0.000 2.324 564 K HA 0.571 4.891 4.320 0.000 0.000 0.253 564 K C -1.743 174.680 176.600 -0.295 0.000 0.932 564 K CA -0.666 55.352 56.287 -0.449 0.000 0.799 564 K CB 1.585 33.888 32.500 -0.328 0.000 1.154 564 K HN 0.163 nan 8.250 nan 0.000 0.425 565 V N 4.123 123.836 119.914 -0.334 0.000 2.569 565 V HA 0.358 4.478 4.120 0.000 0.000 0.301 565 V C -1.001 174.960 176.094 -0.223 0.000 1.044 565 V CA -0.946 61.231 62.300 -0.204 0.000 0.874 565 V CB 1.784 33.552 31.823 -0.092 0.000 1.002 565 V HN 0.545 nan 8.190 nan 0.000 0.424 566 V N 3.984 123.799 119.914 -0.166 0.000 2.378 566 V HA 0.808 4.928 4.120 0.000 0.000 0.288 566 V C 0.479 176.525 176.094 -0.079 0.000 1.016 566 V CA -0.437 61.784 62.300 -0.132 0.000 0.840 566 V CB 1.576 33.332 31.823 -0.112 0.000 0.994 566 V HN 0.996 nan 8.190 nan 0.000 0.431 567 A N 3.528 126.314 122.820 -0.057 0.000 2.279 567 A HA 0.639 4.959 4.320 0.000 0.000 0.303 567 A C 1.190 178.742 177.584 -0.054 0.000 1.108 567 A CA -0.244 51.793 52.037 -0.000 0.000 0.830 567 A CB 0.985 20.023 19.000 0.064 0.000 1.106 567 A HN 0.765 nan 8.150 nan 0.000 0.493 568 S N 0.504 116.185 115.700 -0.031 0.000 2.453 568 S HA -0.035 4.436 4.470 0.000 0.000 0.231 568 S C 0.729 175.163 174.600 -0.277 0.000 1.005 568 S CA 0.905 59.045 58.200 -0.100 0.000 0.949 568 S CB -0.184 63.010 63.200 -0.010 0.000 0.774 568 S HN 0.732 nan 8.310 nan 0.000 0.510 569 N N 0.401 118.758 118.700 -0.571 0.000 2.410 569 N HA 0.312 5.052 4.740 0.000 0.000 0.287 569 N C -2.819 172.368 175.510 -0.538 0.000 1.044 569 N CA -2.087 50.503 53.050 -0.766 0.000 0.881 569 N CB 1.957 39.519 38.487 -1.542 0.000 1.405 569 N HN -0.237 nan 8.380 nan 0.000 0.490 570 P HA -0.013 nan 4.420 nan 0.000 0.222 570 P C 0.270 177.508 177.300 -0.103 0.000 1.147 570 P CA 0.891 63.898 63.100 -0.155 0.000 0.790 570 P CB 0.484 32.116 31.700 -0.112 0.000 0.780 571 D N -1.123 119.192 120.400 -0.141 0.000 2.224 571 D HA -0.040 4.600 4.640 0.000 0.000 0.205 571 D C 0.616 177.028 176.300 0.187 0.000 0.965 571 D CA 0.340 54.342 54.000 0.003 0.000 0.852 571 D CB -0.519 40.287 40.800 0.009 0.000 0.947 571 D HN 0.259 nan 8.370 nan 0.000 0.494 572 F N 1.819 121.798 119.950 0.048 0.000 2.546 572 F HA -0.022 4.506 4.527 0.000 0.000 0.388 572 F C 1.135 177.009 175.800 0.122 0.000 1.051 572 F CA -0.389 57.667 58.000 0.093 0.000 1.130 572 F CB 0.116 39.150 39.000 0.056 0.000 1.044 572 F HN -0.441 nan 8.300 nan 0.000 0.553 573 K N 4.915 125.536 120.400 0.368 0.000 2.416 573 K HA 0.109 4.429 4.320 0.000 0.000 0.283 573 K C -0.242 176.515 176.600 0.261 0.000 1.037 573 K CA -0.042 56.377 56.287 0.220 0.000 0.995 573 K CB 0.682 33.279 32.500 0.162 0.000 0.938 573 K HN 0.489 nan 8.250 nan 0.000 0.475 574 K N 2.811 123.254 120.400 0.071 0.000 2.130 574 K HA 0.390 4.710 4.320 0.000 0.000 0.268 574 K C -0.820 175.821 176.600 0.069 0.000 0.983 574 K CA -0.567 55.846 56.287 0.210 0.000 0.893 574 K CB 0.870 33.493 32.500 0.205 0.000 1.066 574 K HN 0.259 nan 8.250 nan 0.000 0.450 575 F N 1.113 121.239 119.950 0.294 0.000 2.556 575 F HA 0.298 4.825 4.527 0.000 0.000 0.314 575 F C -0.661 175.205 175.800 0.110 0.000 1.106 575 F CA -0.835 57.313 58.000 0.247 0.000 0.911 575 F CB 1.200 40.331 39.000 0.218 0.000 1.190 575 F HN 0.540 nan 8.300 nan 0.000 0.448 576 W N 5.933 127.162 121.300 -0.118 0.000 2.478 576 W HA 0.788 5.448 4.660 0.000 0.000 0.318 576 W C -1.921 174.567 176.519 -0.051 0.000 1.062 576 W CA -0.771 56.361 57.345 -0.355 0.000 1.210 576 W CB 1.028 29.924 29.460 -0.939 0.000 1.325 576 W HN 0.383 nan 8.180 nan 0.000 0.496 577 L N 7.312 128.256 121.223 -0.466 0.000 2.346 577 L HA 0.641 4.981 4.340 0.000 0.000 0.274 577 L C -0.989 175.457 176.870 -0.708 0.000 1.007 577 L CA -1.471 53.128 54.840 -0.402 0.000 0.818 577 L CB 1.544 43.452 42.059 -0.253 0.000 1.284 577 L HN 0.350 nan 8.230 nan 0.000 0.424 578 L N 2.743 123.710 121.223 -0.427 0.000 2.457 578 L HA 0.434 4.774 4.340 0.000 0.000 0.266 578 L C -0.722 176.063 176.870 -0.141 0.000 0.979 578 L CA -0.043 54.630 54.840 -0.277 0.000 0.857 578 L CB 0.942 42.979 42.059 -0.036 0.000 1.213 578 L HN 0.445 nan 8.230 nan 0.000 0.418 579 H N 2.721 121.765 119.070 -0.043 0.000 2.525 579 H HA 0.732 5.288 4.556 0.000 0.000 0.339 579 H C -0.267 175.116 175.328 0.092 0.000 1.109 579 H CA 0.009 56.090 56.048 0.055 0.000 1.352 579 H CB 1.657 31.448 29.762 0.049 0.000 1.461 579 H HN 0.730 nan 8.280 nan 0.000 0.533 580 S N 1.499 117.353 115.700 0.257 0.000 2.618 580 S HA 0.365 4.835 4.470 0.000 0.000 0.277 580 S C 0.827 175.558 174.600 0.218 0.000 1.138 580 S CA -0.852 57.468 58.200 0.201 0.000 0.844 580 S CB 1.198 64.489 63.200 0.151 0.000 1.127 580 S HN 0.503 nan 8.310 nan 0.000 0.474 581 I N 0.923 121.585 120.570 0.154 0.000 2.141 581 I HA 0.001 4.171 4.170 0.000 0.000 0.236 581 I C 1.230 177.484 176.117 0.228 0.000 1.071 581 I CA 1.032 62.420 61.300 0.147 0.000 1.345 581 I CB -0.221 37.824 38.000 0.075 0.000 1.066 581 I HN 0.691 nan 8.210 nan 0.000 0.406 582 E N 0.898 121.183 120.200 0.141 0.000 2.322 582 E HA 0.150 4.500 4.350 0.000 0.000 0.257 582 E C -0.258 176.250 176.600 -0.153 0.000 1.155 582 E CA -0.622 55.828 56.400 0.084 0.000 0.936 582 E CB 0.466 30.168 29.700 0.004 0.000 1.130 582 E HN 0.168 nan 8.360 nan 0.000 0.465 583 Q N 2.082 121.584 119.800 -0.496 0.000 2.311 583 Q HA 0.091 4.431 4.340 0.000 0.000 0.272 583 Q C -2.106 173.497 176.000 -0.660 0.000 1.012 583 Q CA -1.523 53.532 55.803 -1.246 0.000 0.891 583 Q CB 0.519 28.555 28.738 -1.171 0.000 1.201 583 Q HN 0.175 nan 8.270 nan 0.000 0.391 584 P HA 0.166 nan 4.420 nan 0.000 0.282 584 P C -1.179 175.968 177.300 -0.256 0.000 1.249 584 P CA -0.222 62.714 63.100 -0.272 0.000 0.806 584 P CB 1.092 32.715 31.700 -0.128 0.000 0.984 585 E N 2.466 122.580 120.200 -0.144 0.000 2.133 585 E HA 0.388 4.738 4.350 0.000 0.000 0.274 585 E C -0.208 176.360 176.600 -0.054 0.000 0.930 585 E CA -0.610 55.724 56.400 -0.109 0.000 0.770 585 E CB 1.509 31.156 29.700 -0.088 0.000 1.104 585 E HN 0.438 nan 8.360 nan 0.000 0.403 586 I N 2.824 123.368 120.570 -0.042 0.000 2.307 586 I HA 0.204 4.374 4.170 0.000 0.000 0.289 586 I C 0.495 176.607 176.117 -0.008 0.000 1.021 586 I CA -0.276 61.018 61.300 -0.010 0.000 1.224 586 I CB 0.746 38.751 38.000 0.007 0.000 1.376 586 I HN 0.027 nan 8.210 nan 0.000 0.470 587 K N 6.067 126.465 120.400 -0.003 0.000 2.527 587 K HA 0.467 4.787 4.320 0.000 0.000 0.240 587 K C 0.518 177.118 176.600 -0.000 0.000 0.989 587 K CA 0.067 56.352 56.287 -0.004 0.000 0.985 587 K CB 1.057 33.552 32.500 -0.008 0.000 1.221 587 K HN 0.848 nan 8.250 nan 0.000 0.458 588 G N 3.881 112.682 108.800 0.001 0.000 2.601 588 G HA2 -0.405 3.555 3.960 0.000 0.000 0.306 588 G HA3 -0.405 3.555 3.960 0.000 0.000 0.306 588 G C 0.208 175.110 174.900 0.003 0.000 1.172 588 G CA 0.608 45.708 45.100 0.001 0.000 0.966 588 G HN 0.748 nan 8.290 nan 0.000 0.542 589 N N 1.142 119.842 118.700 -0.001 0.000 2.273 589 N HA 0.342 5.082 4.740 0.000 0.000 0.231 589 N C 0.336 175.846 175.510 -0.001 0.000 1.134 589 N CA 0.585 53.632 53.050 -0.005 0.000 0.856 589 N CB 1.024 39.502 38.487 -0.015 0.000 1.068 589 N HN 0.653 nan 8.380 nan 0.000 0.510 590 Q N 0.775 120.579 119.800 0.007 0.000 2.339 590 Q HA 0.511 4.851 4.340 0.000 0.000 0.268 590 Q C -1.306 174.708 176.000 0.023 0.000 1.027 590 Q CA -0.277 55.533 55.803 0.013 0.000 0.759 590 Q CB 1.275 30.017 28.738 0.007 0.000 1.244 590 Q HN 0.303 nan 8.270 nan 0.000 0.464 591 I N 3.039 123.636 120.570 0.044 0.000 2.315 591 I HA 0.362 4.532 4.170 0.000 0.000 0.291 591 I C -0.313 175.836 176.117 0.053 0.000 1.006 591 I CA -0.302 61.033 61.300 0.058 0.000 1.265 591 I CB 1.711 39.780 38.000 0.115 0.000 1.387 591 I HN 0.463 nan 8.210 nan 0.000 0.475 592 T N 7.214 121.781 114.554 0.021 0.000 2.797 592 T HA 0.663 5.013 4.350 0.000 0.000 0.279 592 T C -0.214 174.486 174.700 0.001 0.000 0.991 592 T CA -0.376 61.733 62.100 0.015 0.000 0.979 592 T CB 1.320 70.186 68.868 -0.004 0.000 0.943 592 T HN 0.261 nan 8.240 nan 0.000 0.444 593 I N 2.864 123.448 120.570 0.022 0.000 2.498 593 I HA 0.466 4.636 4.170 0.000 0.000 0.290 593 I C -0.171 175.954 176.117 0.014 0.000 1.032 593 I CA -0.827 60.480 61.300 0.012 0.000 1.073 593 I CB 1.964 39.995 38.000 0.052 0.000 1.251 593 I HN 0.351 nan 8.210 nan 0.000 0.426 594 K N 5.623 126.017 120.400 -0.009 0.000 2.400 594 K HA 0.685 5.006 4.320 0.000 0.000 0.246 594 K C -0.952 175.642 176.600 -0.011 0.000 0.995 594 K CA -1.130 55.153 56.287 -0.006 0.000 0.840 594 K CB 2.661 35.151 32.500 -0.017 0.000 1.293 594 K HN 0.426 nan 8.250 nan 0.000 0.445 595 R N 0.614 121.104 120.500 -0.016 0.000 2.599 595 R HA 0.316 4.656 4.340 0.000 0.000 0.295 595 R C -0.134 176.151 176.300 -0.025 0.000 0.963 595 R CA -0.343 55.743 56.100 -0.023 0.000 0.883 595 R CB 1.936 32.210 30.300 -0.043 0.000 1.171 595 R HN 0.928 nan 8.270 nan 0.000 0.450 596 T N -2.059 112.485 114.554 -0.016 0.000 3.186 596 T HA 0.257 4.607 4.350 0.000 0.000 0.292 596 T C 0.144 174.840 174.700 -0.007 0.000 0.915 596 T CA -0.334 61.758 62.100 -0.013 0.000 0.902 596 T CB 0.551 69.412 68.868 -0.011 0.000 1.192 596 T HN 0.319 nan 8.240 nan 0.000 0.563 597 K N 1.480 121.878 120.400 -0.003 0.000 2.259 597 K HA 0.624 4.944 4.320 0.000 0.000 0.249 597 K C -0.472 176.131 176.600 0.005 0.000 0.942 597 K CA -0.899 55.391 56.287 0.005 0.000 0.816 597 K CB 1.315 33.823 32.500 0.013 0.000 1.155 597 K HN 0.051 nan 8.250 nan 0.000 0.428 598 N N 0.391 119.098 118.700 0.011 0.000 2.850 598 N HA -0.187 4.553 4.740 0.000 0.000 0.249 598 N C 0.394 175.912 175.510 0.014 0.000 1.060 598 N CA 0.778 53.838 53.050 0.017 0.000 0.825 598 N CB -1.063 37.438 38.487 0.025 0.000 1.132 598 N HN 1.041 nan 8.380 nan 0.000 0.564 599 G N -1.455 107.347 108.800 0.004 0.000 2.159 599 G HA2 -0.291 3.669 3.960 0.000 0.000 0.256 599 G HA3 -0.291 3.669 3.960 0.000 0.000 0.256 599 G C -0.480 174.409 174.900 -0.018 0.000 0.977 599 G CA 0.368 45.467 45.100 -0.001 0.000 0.652 599 G HN 0.481 nan 8.290 nan 0.000 0.531 600 D N -0.102 120.281 120.400 -0.028 0.000 2.225 600 D HA 0.633 5.273 4.640 0.000 0.000 0.249 600 D C 1.172 177.425 176.300 -0.077 0.000 1.052 600 D CA 0.435 54.394 54.000 -0.068 0.000 0.909 600 D CB 1.531 42.288 40.800 -0.072 0.000 1.186 600 D HN 0.474 nan 8.370 nan 0.000 0.431 601 S N -0.937 114.691 115.700 -0.119 0.000 2.998 601 S HA 0.267 4.737 4.470 0.000 0.000 0.256 601 S C 0.716 175.265 174.600 -0.085 0.000 0.970 601 S CA -0.587 57.563 58.200 -0.084 0.000 1.238 601 S CB 0.022 63.183 63.200 -0.064 0.000 1.170 601 S HN 0.429 nan 8.310 nan 0.000 0.663 602 G N 1.808 110.524 108.800 -0.140 0.000 2.569 602 G HA2 0.526 4.486 3.960 0.000 0.000 0.249 602 G HA3 0.526 4.486 3.960 0.000 0.000 0.249 602 G C -0.686 174.244 174.900 0.050 0.000 1.216 602 G CA -0.418 44.652 45.100 -0.049 0.000 0.845 602 G HN 0.513 nan 8.290 nan 0.000 0.568 603 M N 1.425 121.108 119.600 0.138 0.000 2.457 603 M HA 0.645 5.125 4.480 0.000 0.000 0.300 603 M C -1.656 174.707 176.300 0.105 0.000 1.141 603 M CA -0.860 54.494 55.300 0.090 0.000 0.901 603 M CB 2.257 34.898 32.600 0.067 0.000 1.687 603 M HN 0.467 nan 8.290 nan 0.000 0.449 604 L N 5.121 126.397 121.223 0.088 0.000 2.365 604 L HA 0.836 5.176 4.340 0.000 0.000 0.273 604 L C -1.829 175.093 176.870 0.087 0.000 1.000 604 L CA -0.709 54.194 54.840 0.104 0.000 0.819 604 L CB 2.001 44.142 42.059 0.137 0.000 1.284 604 L HN 0.605 nan 8.230 nan 0.000 0.418 605 V N 3.877 123.840 119.914 0.083 0.000 2.482 605 V HA 0.372 4.492 4.120 0.000 0.000 0.295 605 V C -0.684 175.461 176.094 0.084 0.000 1.026 605 V CA -0.664 61.678 62.300 0.069 0.000 0.856 605 V CB 1.788 33.635 31.823 0.040 0.000 1.001 605 V HN 0.785 nan 8.190 nan 0.000 0.424 606 N N 2.576 121.337 118.700 0.101 0.000 2.419 606 N HA 0.472 5.212 4.740 0.000 0.000 0.277 606 N C -0.495 175.044 175.510 0.047 0.000 1.006 606 N CA -0.153 52.959 53.050 0.104 0.000 0.923 606 N CB 1.566 40.165 38.487 0.188 0.000 1.140 606 N HN 0.636 nan 8.380 nan 0.000 0.488 607 T N 2.311 116.875 114.554 0.016 0.000 2.753 607 T HA 0.518 4.868 4.350 0.000 0.000 0.297 607 T C -0.122 174.547 174.700 -0.052 0.000 0.981 607 T CA -0.585 61.508 62.100 -0.011 0.000 0.956 607 T CB 0.858 69.721 68.868 -0.009 0.000 0.936 607 T HN 0.605 nan 8.240 nan 0.000 0.463 608 A N 4.212 126.992 122.820 -0.067 0.000 2.376 608 A HA 0.476 4.796 4.320 0.000 0.000 0.298 608 A C 1.070 178.603 177.584 -0.085 0.000 1.271 608 A CA -0.464 51.502 52.037 -0.120 0.000 0.926 608 A CB -0.241 18.685 19.000 -0.122 0.000 1.141 608 A HN 0.983 nan 8.150 nan 0.000 0.539 609 L N 2.225 123.394 121.223 -0.089 0.000 2.298 609 L HA 0.261 4.601 4.340 0.000 0.000 0.209 609 L C -0.013 176.824 176.870 -0.056 0.000 1.084 609 L CA 0.733 55.535 54.840 -0.064 0.000 0.816 609 L CB -0.138 41.885 42.059 -0.060 0.000 0.967 609 L HN 0.548 nan 8.230 nan 0.000 0.460 610 L N 0.492 121.680 121.223 -0.058 0.000 2.464 610 L HA 0.424 4.764 4.340 0.000 0.000 0.266 610 L C -2.538 174.283 176.870 -0.082 0.000 0.965 610 L CA -1.883 52.928 54.840 -0.049 0.000 0.833 610 L CB 2.619 44.679 42.059 0.003 0.000 1.296 610 L HN -0.263 nan 8.230 nan 0.000 0.405 611 P HA 0.025 nan 4.420 nan 0.000 0.269 611 P C -1.095 176.170 177.300 -0.058 0.000 1.215 611 P CA -0.254 62.789 63.100 -0.096 0.000 0.780 611 P CB 0.513 32.144 31.700 -0.116 0.000 0.898 612 D N 0.774 121.146 120.400 -0.046 0.000 2.363 612 D HA -0.007 4.633 4.640 0.000 0.000 0.240 612 D C 1.166 177.449 176.300 -0.029 0.000 1.236 612 D CA -0.409 53.569 54.000 -0.036 0.000 0.927 612 D CB 0.535 41.316 40.800 -0.030 0.000 1.150 612 D HN 0.339 nan 8.370 nan 0.000 0.458 613 A N 0.831 123.638 122.820 -0.022 0.000 2.076 613 A HA -0.041 4.279 4.320 0.000 0.000 0.220 613 A C 2.160 179.736 177.584 -0.013 0.000 1.160 613 A CA 2.077 54.105 52.037 -0.016 0.000 0.653 613 A CB -0.862 18.131 19.000 -0.012 0.000 0.801 613 A HN 0.713 nan 8.150 nan 0.000 0.455 614 A N -0.913 121.898 122.820 -0.015 0.000 2.119 614 A HA -0.017 4.303 4.320 0.000 0.000 0.216 614 A C 1.616 179.190 177.584 -0.016 0.000 1.152 614 A CA 1.560 53.589 52.037 -0.013 0.000 0.708 614 A CB -0.291 18.701 19.000 -0.013 0.000 0.805 614 A HN 0.502 nan 8.150 nan 0.000 0.460 615 N N -1.129 117.557 118.700 -0.023 0.000 2.194 615 N HA 0.101 4.841 4.740 0.000 0.000 0.231 615 N C -0.543 174.949 175.510 -0.030 0.000 1.247 615 N CA 0.188 53.220 53.050 -0.029 0.000 0.884 615 N CB 0.474 38.937 38.487 -0.040 0.000 1.146 615 N HN 0.101 nan 8.380 nan 0.000 0.516 616 S N -0.005 115.684 115.700 -0.018 0.000 2.442 616 S HA 0.443 4.913 4.470 0.000 0.000 0.297 616 S C -1.004 173.603 174.600 0.011 0.000 1.131 616 S CA -0.610 57.587 58.200 -0.005 0.000 1.092 616 S CB 0.140 63.336 63.200 -0.007 0.000 0.998 616 S HN 0.172 nan 8.310 nan 0.000 0.478 617 N N 4.520 123.235 118.700 0.025 0.000 2.469 617 N HA 0.443 5.183 4.740 0.000 0.000 0.253 617 N C -1.102 174.447 175.510 0.066 0.000 0.970 617 N CA -0.224 52.847 53.050 0.036 0.000 0.940 617 N CB 1.022 39.525 38.487 0.027 0.000 1.128 617 N HN 0.590 nan 8.380 nan 0.000 0.503 618 I N 1.649 122.258 120.570 0.064 0.000 2.355 618 I HA 0.288 4.458 4.170 0.000 0.000 0.288 618 I C -0.056 176.114 176.117 0.089 0.000 0.999 618 I CA -0.297 61.057 61.300 0.090 0.000 1.163 618 I CB 1.476 39.522 38.000 0.077 0.000 1.316 618 I HN 0.147 nan 8.210 nan 0.000 0.454 619 T N 3.685 118.308 114.554 0.116 0.000 2.863 619 T HA 0.427 4.777 4.350 0.000 0.000 0.285 619 T C -0.247 174.530 174.700 0.128 0.000 1.009 619 T CA -0.715 61.450 62.100 0.108 0.000 0.989 619 T CB 1.750 70.686 68.868 0.113 0.000 1.004 619 T HN 0.629 nan 8.240 nan 0.000 0.455 620 S N 2.559 118.336 115.700 0.127 0.000 2.451 620 S HA 0.765 5.235 4.470 0.000 0.000 0.301 620 S C -0.616 174.128 174.600 0.240 0.000 1.116 620 S CA -0.800 57.516 58.200 0.193 0.000 1.093 620 S CB 0.286 63.579 63.200 0.155 0.000 1.017 620 S HN 0.605 nan 8.310 nan 0.000 0.482 621 I N 2.926 123.632 120.570 0.226 0.000 2.418 621 I HA 0.758 4.928 4.170 0.000 0.000 0.287 621 I C 0.635 176.695 176.117 -0.096 0.000 1.008 621 I CA -0.403 60.919 61.300 0.038 0.000 1.104 621 I CB 1.639 39.610 38.000 -0.047 0.000 1.264 621 I HN 1.031 nan 8.210 nan 0.000 0.438 622 G N 3.178 111.612 108.800 -0.610 0.000 2.364 622 G HA2 0.590 4.550 3.960 0.000 0.000 0.286 622 G HA3 0.590 4.550 3.960 0.000 0.000 0.286 622 G C -0.463 173.475 174.900 -1.602 0.000 1.241 622 G CA 0.069 44.388 45.100 -1.302 0.000 0.887 622 G HN 1.096 nan 8.290 nan 0.000 0.484 623 G N -0.822 106.921 108.800 -1.762 0.000 2.782 623 G HA2 0.134 4.094 3.960 0.000 0.000 0.228 623 G HA3 0.134 4.094 3.960 0.000 0.000 0.228 623 G C 0.053 174.632 174.900 -0.534 0.000 1.372 623 G CA 0.185 44.770 45.100 -0.857 0.000 0.862 623 G HN 0.965 nan 8.290 nan 0.000 0.547 624 K N 1.332 121.541 120.400 -0.319 0.000 2.466 624 K HA 0.320 4.640 4.320 0.000 0.000 0.278 624 K C 1.591 178.050 176.600 -0.234 0.000 1.048 624 K CA 1.814 57.961 56.287 -0.234 0.000 1.088 624 K CB -0.346 32.067 32.500 -0.144 0.000 0.884 624 K HN 2.387 nan 8.250 nan 0.000 0.478 625 G N 3.859 112.537 108.800 -0.203 0.000 2.159 625 G HA2 -0.224 3.736 3.960 0.000 0.000 0.256 625 G HA3 -0.224 3.736 3.960 0.000 0.000 0.256 625 G C 0.434 175.261 174.900 -0.121 0.000 0.977 625 G CA 0.374 45.398 45.100 -0.126 0.000 0.652 625 G HN 0.637 nan 8.290 nan 0.000 0.531 626 K N 0.051 120.298 120.400 -0.256 0.000 2.582 626 K HA 0.106 4.426 4.320 0.000 0.000 0.204 626 K C 1.214 177.627 176.600 -0.312 0.000 1.221 626 K CA 0.620 56.752 56.287 -0.259 0.000 1.048 626 K CB 0.673 32.861 32.500 -0.520 0.000 1.011 626 K HN 0.430 nan 8.250 nan 0.000 0.597 627 D N 0.187 120.288 120.400 -0.499 0.000 2.219 627 D HA -0.126 4.514 4.640 0.000 0.000 0.205 627 D C 0.646 176.431 176.300 -0.857 0.000 0.970 627 D CA 0.779 54.314 54.000 -0.775 0.000 0.851 627 D CB -0.268 39.866 40.800 -1.110 0.000 0.943 627 D HN 0.185 nan 8.370 nan 0.000 0.488 628 F N -0.106 119.661 119.950 -0.305 0.000 2.761 628 F HA 0.208 4.735 4.527 0.000 0.000 0.367 628 F C 0.065 175.730 175.800 -0.225 0.000 1.386 628 F CA -1.428 56.097 58.000 -0.793 0.000 1.177 628 F CB 0.417 38.983 39.000 -0.724 0.000 1.092 628 F HN -0.089 nan 8.300 nan 0.000 0.517 629 W N 3.013 124.264 121.300 -0.082 0.000 2.345 629 W HA 0.512 5.172 4.660 0.000 0.000 0.308 629 W C -1.398 175.139 176.519 0.031 0.000 1.273 629 W CA -0.267 57.053 57.345 -0.042 0.000 1.243 629 W CB 1.445 30.826 29.460 -0.132 0.000 1.260 629 W HN -0.243 nan 8.180 nan 0.000 0.509 630 V N 9.095 128.701 119.914 -0.514 0.000 2.380 630 V HA 0.124 4.244 4.120 0.000 0.000 0.268 630 V C -0.429 175.368 176.094 -0.494 0.000 1.008 630 V CA -0.899 61.190 62.300 -0.351 0.000 0.823 630 V CB -0.219 31.691 31.823 0.145 0.000 1.053 630 V HN 0.486 nan 8.190 nan 0.000 0.446 631 F N 3.461 123.097 119.950 -0.523 0.000 2.526 631 F HA -0.127 4.400 4.527 0.000 0.000 0.225 631 F C 1.544 177.102 175.800 -0.404 0.000 1.031 631 F CA 1.249 59.059 58.000 -0.317 0.000 0.915 631 F CB -1.261 37.634 39.000 -0.175 0.000 0.952 631 F HN 0.860 nan 8.300 nan 0.000 0.834 632 G N -0.397 108.065 108.800 -0.563 0.000 2.234 632 G HA2 -0.197 3.763 3.960 0.000 0.000 0.235 632 G HA3 -0.197 3.763 3.960 0.000 0.000 0.235 632 G C 0.082 174.529 174.900 -0.756 0.000 0.997 632 G CA 0.011 44.879 45.100 -0.387 0.000 0.623 632 G HN 0.744 nan 8.290 nan 0.000 0.514 633 T N 0.993 114.897 114.554 -1.083 0.000 2.861 633 T HA 0.545 4.895 4.350 0.000 0.000 0.287 633 T C -0.737 173.423 174.700 -0.900 0.000 1.003 633 T CA -0.580 61.025 62.100 -0.826 0.000 0.977 633 T CB 1.886 70.368 68.868 -0.645 0.000 0.996 633 T HN 0.310 nan 8.240 nan 0.000 0.448 634 N N 2.008 120.426 118.700 -0.470 0.000 2.444 634 N HA 0.204 4.944 4.740 0.000 0.000 0.262 634 N C -1.123 174.224 175.510 -0.271 0.000 0.974 634 N CA -0.363 52.593 53.050 -0.157 0.000 0.933 634 N CB 0.761 39.360 38.487 0.187 0.000 1.137 634 N HN 0.583 nan 8.380 nan 0.000 0.498 635 Y N 2.428 122.779 120.300 0.085 0.000 2.636 635 Y HA 0.063 4.613 4.550 0.000 0.000 0.334 635 Y C 0.782 176.804 175.900 0.202 0.000 1.286 635 Y CA -0.430 57.739 58.100 0.116 0.000 1.688 635 Y CB -0.343 38.177 38.460 0.101 0.000 1.662 635 Y HN 0.313 nan 8.280 nan 0.000 0.465 636 T N 1.035 115.714 114.554 0.208 0.000 2.891 636 T HA -0.119 4.231 4.350 0.000 0.000 0.296 636 T C 0.361 175.101 174.700 0.067 0.000 1.025 636 T CA 0.198 62.408 62.100 0.184 0.000 1.149 636 T CB 0.063 68.973 68.868 0.070 0.000 1.007 636 T HN 0.501 nan 8.240 nan 0.000 0.528 637 N N 1.916 120.633 118.700 0.028 0.000 2.824 637 N HA 0.138 4.878 4.740 0.000 0.000 0.224 637 N C -1.602 173.877 175.510 -0.052 0.000 1.418 637 N CA -0.456 52.443 53.050 -0.253 0.000 0.743 637 N CB 0.610 38.463 38.487 -1.056 0.000 1.395 637 N HN 0.432 nan 8.380 nan 0.000 0.548 638 D N 1.091 121.492 120.400 0.002 0.000 2.362 638 D HA 0.241 4.881 4.640 0.000 0.000 0.242 638 D C -2.149 174.148 176.300 -0.004 0.000 1.132 638 D CA -0.966 53.046 54.000 0.021 0.000 0.907 638 D CB 0.627 41.432 40.800 0.008 0.000 1.195 638 D HN 0.297 nan 8.370 nan 0.000 0.429 639 P HA 0.012 nan 4.420 nan 0.000 0.269 639 P C -0.060 177.245 177.300 0.009 0.000 1.209 639 P CA -0.200 62.914 63.100 0.022 0.000 0.776 639 P CB 0.530 32.259 31.700 0.049 0.000 0.876 640 K N 3.440 123.844 120.400 0.006 0.000 2.448 640 K HA 0.132 4.452 4.320 0.000 0.000 0.278 640 K C -2.152 174.458 176.600 0.016 0.000 1.009 640 K CA -1.375 54.916 56.287 0.007 0.000 0.995 640 K CB -0.743 31.762 32.500 0.008 0.000 0.917 640 K HN 0.337 nan 8.250 nan 0.000 0.481 641 P HA -0.161 nan 4.420 nan 0.000 0.261 641 P C 0.725 178.037 177.300 0.020 0.000 1.158 641 P CA 1.312 64.420 63.100 0.014 0.000 0.758 641 P CB 0.224 31.930 31.700 0.010 0.000 0.763 642 G N 1.505 110.319 108.800 0.023 0.000 2.184 642 G HA2 -0.246 3.714 3.960 0.000 0.000 0.264 642 G HA3 -0.246 3.714 3.960 0.000 0.000 0.264 642 G C 0.402 175.323 174.900 0.035 0.000 0.975 642 G CA 0.614 45.730 45.100 0.026 0.000 0.642 642 G HN 0.855 nan 8.290 nan 0.000 0.536 643 T N -2.940 111.640 114.554 0.042 0.000 2.923 643 T HA 0.534 4.884 4.350 0.000 0.000 0.281 643 T C 0.187 174.934 174.700 0.079 0.000 0.995 643 T CA 0.690 62.825 62.100 0.058 0.000 0.985 643 T CB 1.816 70.718 68.868 0.056 0.000 1.114 643 T HN 0.909 nan 8.240 nan 0.000 0.548 644 D N 0.890 121.360 120.400 0.116 0.000 2.697 644 D HA -0.153 4.487 4.640 0.000 0.000 0.235 644 D C 1.047 177.405 176.300 0.097 0.000 1.167 644 D CA 1.034 55.126 54.000 0.154 0.000 0.656 644 D CB -0.895 40.026 40.800 0.202 0.000 1.025 644 D HN 0.876 nan 8.370 nan 0.000 0.419 645 E N -0.734 119.512 120.200 0.078 0.000 2.516 645 E HA -0.011 4.339 4.350 0.000 0.000 0.199 645 E C 1.361 177.990 176.600 0.047 0.000 1.069 645 E CA 0.834 57.266 56.400 0.054 0.000 0.876 645 E CB 0.132 29.860 29.700 0.046 0.000 0.843 645 E HN 0.410 nan 8.360 nan 0.000 0.530 646 A N 0.982 123.833 122.820 0.050 0.000 2.431 646 A HA 0.262 4.582 4.320 0.000 0.000 0.239 646 A C 0.993 178.586 177.584 0.015 0.000 1.230 646 A CA -0.408 51.649 52.037 0.033 0.000 0.928 646 A CB 0.119 19.140 19.000 0.036 0.000 1.006 646 A HN 0.215 nan 8.150 nan 0.000 0.520 647 L N 0.069 121.307 121.223 0.024 0.000 3.660 647 L HA -0.224 4.116 4.340 0.000 0.000 0.440 647 L C 0.751 177.593 176.870 -0.047 0.000 1.262 647 L CA 1.200 56.051 54.840 0.018 0.000 0.837 647 L CB -1.791 40.282 42.059 0.025 0.000 1.689 647 L HN 0.611 nan 8.230 nan 0.000 0.890 648 E N -0.263 119.827 120.200 -0.183 0.000 2.511 648 E HA -0.133 4.217 4.350 0.000 0.000 0.196 648 E C 1.740 178.004 176.600 -0.560 0.000 1.066 648 E CA 0.623 56.767 56.400 -0.428 0.000 0.871 648 E CB -0.018 29.302 29.700 -0.634 0.000 0.863 648 E HN 0.758 nan 8.360 nan 0.000 0.520 649 R N 1.029 121.410 120.500 -0.200 0.000 2.235 649 R HA 0.012 4.352 4.340 0.000 0.000 0.213 649 R C 0.774 177.235 176.300 0.269 0.000 1.059 649 R CA 1.054 57.284 56.100 0.217 0.000 0.997 649 R CB -0.281 30.262 30.300 0.406 0.000 0.884 649 R HN 0.014 nan 8.270 nan 0.000 0.462 650 G N 0.718 109.585 108.800 0.112 0.000 2.692 650 G HA2 -0.224 3.736 3.960 0.000 0.000 0.686 650 G HA3 -0.224 3.736 3.960 0.000 0.000 0.686 650 G C -0.431 174.457 174.900 -0.020 0.000 1.243 650 G CA 0.001 45.163 45.100 0.103 0.000 0.782 650 G HN 0.286 nan 8.290 nan 0.000 0.625 651 E N -0.848 119.343 120.200 -0.014 0.000 2.606 651 E HA 0.284 4.634 4.350 0.000 0.000 0.224 651 E C -0.271 176.062 176.600 -0.446 0.000 0.930 651 E CA -0.322 55.926 56.400 -0.254 0.000 1.125 651 E CB 0.627 30.222 29.700 -0.174 0.000 1.123 651 E HN 0.487 nan 8.360 nan 0.000 0.522 652 W N 0.871 122.164 121.300 -0.011 0.000 3.033 652 W HA 0.431 5.091 4.660 0.000 0.000 0.336 652 W C -0.610 175.928 176.519 0.032 0.000 1.173 652 W CA -0.837 56.507 57.345 -0.001 0.000 1.185 652 W CB 1.228 30.684 29.460 -0.007 0.000 1.425 652 W HN -0.179 nan 8.180 nan 0.000 0.536 653 R N 0.107 120.757 120.500 0.251 0.000 2.774 653 R HA 0.897 5.237 4.340 0.000 0.000 0.272 653 R C -1.956 174.408 176.300 0.106 0.000 1.000 653 R CA -0.943 55.178 56.100 0.035 0.000 0.906 653 R CB 1.558 31.685 30.300 -0.288 0.000 1.227 653 R HN 0.250 nan 8.270 nan 0.000 0.468 654 V N 1.259 121.209 119.914 0.061 0.000 2.547 654 V HA 0.370 4.490 4.120 0.000 0.000 0.299 654 V C -0.309 175.874 176.094 0.148 0.000 1.040 654 V CA -0.673 61.708 62.300 0.136 0.000 0.913 654 V CB 1.628 33.564 31.823 0.189 0.000 0.992 654 V HN 0.766 nan 8.190 nan 0.000 0.449 655 E N 4.128 124.448 120.200 0.201 0.000 2.185 655 E HA 0.532 4.882 4.350 0.000 0.000 0.261 655 E C -1.216 175.551 176.600 0.278 0.000 0.879 655 E CA -0.414 56.149 56.400 0.271 0.000 0.756 655 E CB 2.220 32.114 29.700 0.324 0.000 1.152 655 E HN 0.546 nan 8.360 nan 0.000 0.416 656 I N 2.954 123.736 120.570 0.352 0.000 2.336 656 I HA 0.274 4.444 4.170 0.000 0.000 0.292 656 I C 0.127 176.423 176.117 0.298 0.000 0.991 656 I CA -0.369 61.113 61.300 0.304 0.000 1.227 656 I CB 1.321 39.508 38.000 0.311 0.000 1.366 656 I HN 0.455 nan 8.210 nan 0.000 0.466 657 T N 3.586 118.233 114.554 0.155 0.000 2.900 657 T HA 0.591 4.941 4.350 0.000 0.000 0.295 657 T C -2.900 171.809 174.700 0.016 0.000 1.044 657 T CA -2.309 59.812 62.100 0.036 0.000 0.995 657 T CB 2.150 70.896 68.868 -0.204 0.000 1.072 657 T HN 0.122 nan 8.240 nan 0.000 0.473 658 P HA 0.386 nan 4.420 nan 0.000 0.274 658 P C 0.429 177.699 177.300 -0.050 0.000 1.231 658 P CA -0.689 62.368 63.100 -0.072 0.000 0.790 658 P CB 0.936 32.559 31.700 -0.127 0.000 0.951 659 K N 0.643 121.020 120.400 -0.039 0.000 2.076 659 K HA -0.047 4.273 4.320 0.000 0.000 0.204 659 K C 0.813 177.398 176.600 -0.026 0.000 1.051 659 K CA 1.080 57.351 56.287 -0.025 0.000 0.949 659 K CB -0.035 32.454 32.500 -0.017 0.000 0.726 659 K HN 0.324 nan 8.250 nan 0.000 0.443 660 K N 1.343 121.724 120.400 -0.033 0.000 2.227 660 K HA 0.239 4.559 4.320 0.000 0.000 0.280 660 K C -1.050 175.529 176.600 -0.035 0.000 1.041 660 K CA -0.352 55.917 56.287 -0.029 0.000 0.905 660 K CB 1.285 33.768 32.500 -0.028 0.000 1.068 660 K HN 0.029 nan 8.250 nan 0.000 0.470 661 A N 3.156 125.960 122.820 -0.026 0.000 2.492 661 A HA 0.507 4.827 4.320 0.000 0.000 0.254 661 A C -0.506 177.054 177.584 -0.039 0.000 1.091 661 A CA 0.167 52.188 52.037 -0.026 0.000 0.768 661 A CB 0.060 19.051 19.000 -0.015 0.000 1.028 661 A HN 0.810 nan 8.150 nan 0.000 0.498 662 A N 1.555 124.345 122.820 -0.050 0.000 2.574 662 A HA 0.701 5.021 4.320 0.000 0.000 0.297 662 A C 0.746 178.285 177.584 -0.075 0.000 1.062 662 A CA 0.056 52.057 52.037 -0.060 0.000 0.686 662 A CB 0.429 19.393 19.000 -0.059 0.000 1.285 662 A HN 2.053 nan 8.150 nan 0.000 0.403 663 A N 0.772 123.544 122.820 -0.081 0.000 1.865 663 A HA 0.023 4.343 4.320 0.000 0.000 0.217 663 A C 0.943 178.463 177.584 -0.106 0.000 1.191 663 A CA 2.041 54.023 52.037 -0.092 0.000 0.623 663 A CB -0.377 18.573 19.000 -0.084 0.000 0.826 663 A HN 0.881 nan 8.150 nan 0.000 0.444 664 E N 0.349 120.482 120.200 -0.113 0.000 2.133 664 E HA 0.386 4.736 4.350 0.000 0.000 0.274 664 E C -1.557 174.906 176.600 -0.228 0.000 0.930 664 E CA -0.609 55.683 56.400 -0.180 0.000 0.770 664 E CB 0.661 30.289 29.700 -0.120 0.000 1.104 664 E HN 0.404 nan 8.360 nan 0.000 0.403 665 D N 2.810 122.982 120.400 -0.379 0.000 2.547 665 D HA 0.315 4.955 4.640 0.000 0.000 0.231 665 D C -1.343 174.590 176.300 -0.613 0.000 1.099 665 D CA -0.360 53.410 54.000 -0.384 0.000 0.901 665 D CB 1.428 42.034 40.800 -0.322 0.000 1.478 665 D HN 0.398 nan 8.370 nan 0.000 0.471 666 Y N 0.112 120.207 120.300 -0.341 0.000 2.492 666 Y HA 0.390 4.940 4.550 0.000 0.000 0.346 666 Y C -0.838 174.814 175.900 -0.414 0.000 0.997 666 Y CA -0.831 57.071 58.100 -0.331 0.000 1.025 666 Y CB 1.818 40.169 38.460 -0.181 0.000 1.263 666 Y HN 0.235 nan 8.280 nan 0.000 0.454 667 Y N 3.128 123.377 120.300 -0.085 0.000 2.364 667 Y HA 0.621 5.171 4.550 0.000 0.000 0.340 667 Y C -1.014 174.818 175.900 -0.114 0.000 0.975 667 Y CA -0.993 57.022 58.100 -0.141 0.000 1.089 667 Y CB 1.968 40.329 38.460 -0.164 0.000 1.192 667 Y HN 0.460 nan 8.280 nan 0.000 0.454 668 L N 5.391 126.639 121.223 0.041 0.000 2.446 668 L HA 0.538 4.878 4.340 0.000 0.000 0.268 668 L C -1.687 175.118 176.870 -0.108 0.000 0.975 668 L CA -0.336 54.527 54.840 0.038 0.000 0.848 668 L CB 0.824 42.946 42.059 0.105 0.000 1.225 668 L HN 0.593 nan 8.230 nan 0.000 0.410 669 N N 3.941 122.554 118.700 -0.144 0.000 2.269 669 N HA 0.633 5.373 4.740 0.000 0.000 0.304 669 N C -1.500 173.981 175.510 -0.048 0.000 1.072 669 N CA -0.438 52.501 53.050 -0.185 0.000 0.802 669 N CB 3.019 41.251 38.487 -0.425 0.000 1.348 669 N HN 0.292 nan 8.380 nan 0.000 0.484 670 V N 3.126 123.023 119.914 -0.028 0.000 2.443 670 V HA 0.468 4.588 4.120 0.000 0.000 0.293 670 V C 0.018 176.132 176.094 0.033 0.000 1.021 670 V CA -0.609 61.695 62.300 0.006 0.000 0.848 670 V CB 1.428 33.247 31.823 -0.007 0.000 0.998 670 V HN 0.528 nan 8.190 nan 0.000 0.424 671 I N 4.643 125.245 120.570 0.053 0.000 2.336 671 I HA 0.450 4.620 4.170 0.000 0.000 0.292 671 I C 0.043 176.190 176.117 0.051 0.000 0.991 671 I CA -0.291 61.059 61.300 0.084 0.000 1.227 671 I CB 1.595 39.672 38.000 0.129 0.000 1.366 671 I HN 0.576 nan 8.210 nan 0.000 0.466 672 Q N 5.916 125.747 119.800 0.051 0.000 2.309 672 Q HA 0.614 4.954 4.340 0.000 0.000 0.264 672 Q C -1.099 174.916 176.000 0.025 0.000 1.008 672 Q CA -0.851 54.968 55.803 0.027 0.000 0.853 672 Q CB 3.017 31.774 28.738 0.032 0.000 1.314 672 Q HN 0.440 nan 8.270 nan 0.000 0.448 673 I N 1.210 121.768 120.570 -0.021 0.000 2.433 673 I HA 0.819 4.989 4.170 0.000 0.000 0.292 673 I C -0.322 175.715 176.117 -0.134 0.000 1.001 673 I CA -0.527 60.741 61.300 -0.053 0.000 1.119 673 I CB 1.019 38.960 38.000 -0.098 0.000 1.289 673 I HN 0.736 nan 8.210 nan 0.000 0.438 674 A N 4.545 127.342 122.820 -0.037 0.000 2.536 674 A HA 0.596 4.916 4.320 0.000 0.000 0.293 674 A C -1.310 176.425 177.584 0.251 0.000 1.119 674 A CA -0.710 51.342 52.037 0.025 0.000 0.654 674 A CB 1.016 20.016 19.000 0.000 0.000 1.291 674 A HN 0.557 nan 8.150 nan 0.000 0.439 675 D N 0.894 121.436 120.400 0.238 0.000 2.382 675 D HA 0.164 4.804 4.640 0.000 0.000 0.240 675 D C 0.909 177.263 176.300 0.090 0.000 1.146 675 D CA 0.413 54.519 54.000 0.177 0.000 0.897 675 D CB 0.550 41.419 40.800 0.115 0.000 1.197 675 D HN 0.620 nan 8.370 nan 0.000 0.432 676 N N -1.128 117.603 118.700 0.051 0.000 2.571 676 N HA -0.126 4.614 4.740 0.000 0.000 0.189 676 N C 0.807 176.326 175.510 0.016 0.000 1.154 676 N CA 0.615 53.681 53.050 0.027 0.000 0.907 676 N CB -0.244 38.248 38.487 0.009 0.000 0.977 676 N HN 0.306 nan 8.380 nan 0.000 0.449 677 T N -5.166 109.400 114.554 0.021 0.000 3.037 677 T HA 0.070 4.420 4.350 0.000 0.000 0.252 677 T C 0.686 175.391 174.700 0.009 0.000 1.073 677 T CA -0.167 61.940 62.100 0.012 0.000 1.091 677 T CB -0.133 68.743 68.868 0.014 0.000 0.935 677 T HN -0.007 nan 8.240 nan 0.000 0.488 678 Q N 2.163 121.971 119.800 0.014 0.000 2.244 678 Q HA 0.126 4.466 4.340 0.000 0.000 0.278 678 Q C 1.202 177.194 176.000 -0.013 0.000 1.093 678 Q CA 0.072 55.874 55.803 -0.001 0.000 0.916 678 Q CB 0.647 29.383 28.738 -0.003 0.000 1.159 678 Q HN 0.330 nan 8.270 nan 0.000 0.384 679 Q N 2.706 122.495 119.800 -0.019 0.000 2.036 679 Q HA -0.033 4.307 4.340 0.000 0.000 0.195 679 Q C 0.035 176.013 176.000 -0.035 0.000 0.971 679 Q CA 0.910 56.700 55.803 -0.021 0.000 0.826 679 Q CB -0.213 28.515 28.738 -0.016 0.000 0.896 679 Q HN 0.323 nan 8.270 nan 0.000 0.449 680 K N 1.249 121.621 120.400 -0.048 0.000 2.312 680 K HA 0.283 4.603 4.320 0.000 0.000 0.287 680 K C -0.551 175.971 176.600 -0.129 0.000 1.062 680 K CA 0.065 56.309 56.287 -0.072 0.000 0.934 680 K CB 0.136 32.597 32.500 -0.065 0.000 1.027 680 K HN -0.056 nan 8.250 nan 0.000 0.478 681 L N 2.627 123.768 121.223 -0.137 0.000 2.391 681 L HA 0.460 4.800 4.340 0.000 0.000 0.266 681 L C 0.188 176.907 176.870 -0.251 0.000 1.035 681 L CA -1.367 53.340 54.840 -0.222 0.000 0.877 681 L CB 0.821 42.819 42.059 -0.101 0.000 1.504 681 L HN 0.605 nan 8.230 nan 0.000 0.503 682 H N 0.547 119.612 119.070 -0.008 0.000 2.582 682 H HA 0.164 4.720 4.556 0.000 0.000 0.345 682 H C -0.602 174.723 175.328 -0.005 0.000 1.104 682 H CA -0.272 55.773 56.048 -0.005 0.000 1.390 682 H CB 1.162 30.918 29.762 -0.010 0.000 1.461 682 H HN 0.435 nan 8.280 nan 0.000 0.551 683 E N 1.992 122.268 120.200 0.127 0.000 2.384 683 E HA 0.144 4.494 4.350 0.000 0.000 0.266 683 E C -0.821 175.814 176.600 0.058 0.000 1.012 683 E CA -0.309 56.131 56.400 0.067 0.000 0.901 683 E CB 0.720 30.452 29.700 0.054 0.000 0.967 683 E HN 0.220 nan 8.360 nan 0.000 0.435 684 V N 5.572 125.501 119.914 0.026 0.000 2.384 684 V HA 0.284 4.404 4.120 0.000 0.000 0.287 684 V C -0.112 175.967 176.094 -0.023 0.000 1.020 684 V CA -0.647 61.651 62.300 -0.002 0.000 0.850 684 V CB 1.530 33.350 31.823 -0.005 0.000 0.987 684 V HN 0.561 nan 8.190 nan 0.000 0.436 685 K N 3.852 124.224 120.400 -0.047 0.000 2.182 685 K HA 0.546 4.866 4.320 0.000 0.000 0.262 685 K C -0.301 176.251 176.600 -0.080 0.000 0.957 685 K CA -0.813 55.440 56.287 -0.057 0.000 0.842 685 K CB 2.388 34.849 32.500 -0.064 0.000 1.099 685 K HN 0.539 nan 8.250 nan 0.000 0.438 686 R N 3.293 123.750 120.500 -0.071 0.000 2.390 686 R HA 0.291 4.631 4.340 0.000 0.000 0.291 686 R C -0.557 175.686 176.300 -0.096 0.000 1.070 686 R CA -0.324 55.723 56.100 -0.089 0.000 1.014 686 R CB 0.490 30.746 30.300 -0.074 0.000 1.007 686 R HN 0.552 nan 8.270 nan 0.000 0.466 687 I N 3.991 124.479 120.570 -0.137 0.000 2.330 687 I HA 0.156 4.326 4.170 0.000 0.000 0.289 687 I C -0.507 175.542 176.117 -0.112 0.000 1.001 687 I CA -0.442 60.784 61.300 -0.123 0.000 1.193 687 I CB 1.664 39.539 38.000 -0.209 0.000 1.345 687 I HN 0.414 nan 8.210 nan 0.000 0.461 688 D N 6.833 127.206 120.400 -0.045 0.000 2.557 688 D HA 0.258 4.898 4.640 0.000 0.000 0.236 688 D C 0.522 176.834 176.300 0.020 0.000 1.154 688 D CA 0.090 54.069 54.000 -0.035 0.000 0.985 688 D CB 1.477 42.261 40.800 -0.026 0.000 1.010 688 D HN 0.706 nan 8.370 nan 0.000 0.516 689 G N 0.225 109.045 108.800 0.033 0.000 2.525 689 G HA2 0.100 4.060 3.960 0.000 0.000 0.287 689 G HA3 0.100 4.060 3.960 0.000 0.000 0.287 689 G C -0.197 174.779 174.900 0.127 0.000 1.350 689 G CA -0.432 44.756 45.100 0.147 0.000 1.039 689 G HN 0.169 nan 8.290 nan 0.000 0.513 690 D N -0.491 120.031 120.400 0.204 0.000 2.338 690 D HA 0.174 4.814 4.640 0.000 0.000 0.255 690 D C 0.840 177.264 176.300 0.208 0.000 1.237 690 D CA 0.041 54.154 54.000 0.188 0.000 0.883 690 D CB 0.205 41.134 40.800 0.215 0.000 1.087 690 D HN 0.475 nan 8.370 nan 0.000 0.485 691 K N 0.496 120.960 120.400 0.106 0.000 3.572 691 K HA -0.199 4.121 4.320 0.000 0.000 0.306 691 K C -0.044 176.503 176.600 -0.089 0.000 1.286 691 K CA 1.359 57.672 56.287 0.043 0.000 1.010 691 K CB -1.859 30.711 32.500 0.117 0.000 1.268 691 K HN 0.412 nan 8.250 nan 0.000 0.438 692 V N -3.103 116.754 119.914 -0.095 0.000 2.962 692 V HA 0.830 4.951 4.120 0.000 0.000 0.313 692 V C -0.351 175.612 176.094 -0.217 0.000 1.099 692 V CA -0.955 61.201 62.300 -0.241 0.000 0.971 692 V CB 2.327 33.919 31.823 -0.386 0.000 1.028 692 V HN -0.073 nan 8.190 nan 0.000 0.430 693 V N 2.244 121.977 119.914 -0.302 0.000 2.628 693 V HA 1.029 5.149 4.120 0.000 0.000 0.306 693 V C 0.408 176.300 176.094 -0.337 0.000 1.045 693 V CA 0.739 62.857 62.300 -0.303 0.000 0.905 693 V CB 1.600 33.227 31.823 -0.326 0.000 0.997 693 V HN 1.589 nan 8.190 nan 0.000 0.436 694 G N 3.717 112.329 108.800 -0.313 0.000 2.866 694 G HA2 0.692 4.652 3.960 0.000 0.000 0.289 694 G HA3 0.692 4.652 3.960 0.000 0.000 0.289 694 G C -1.899 172.858 174.900 -0.238 0.000 1.396 694 G CA -0.563 44.327 45.100 -0.349 0.000 0.848 694 G HN 0.886 nan 8.290 nan 0.000 0.515 695 V N 0.194 119.955 119.914 -0.256 0.000 2.569 695 V HA 0.545 4.665 4.120 0.000 0.000 0.301 695 V C -0.650 175.301 176.094 -0.238 0.000 1.044 695 V CA -0.594 61.598 62.300 -0.180 0.000 0.874 695 V CB 1.575 33.348 31.823 -0.083 0.000 1.002 695 V HN 0.841 nan 8.190 nan 0.000 0.424 696 Q N 5.524 125.201 119.800 -0.206 0.000 2.325 696 Q HA 0.868 5.208 4.340 0.000 0.000 0.270 696 Q C -1.515 174.406 176.000 -0.131 0.000 1.020 696 Q CA -0.633 55.036 55.803 -0.224 0.000 0.785 696 Q CB 2.079 30.646 28.738 -0.284 0.000 1.259 696 Q HN 0.843 nan 8.270 nan 0.000 0.452 697 L N 1.659 122.814 121.223 -0.112 0.000 2.506 697 L HA 0.952 5.292 4.340 0.000 0.000 0.257 697 L C -0.139 176.634 176.870 -0.162 0.000 0.964 697 L CA -0.253 54.536 54.840 -0.085 0.000 0.836 697 L CB 1.392 43.414 42.059 -0.063 0.000 1.384 697 L HN 0.834 nan 8.230 nan 0.000 0.410 698 A N 2.566 125.207 122.820 -0.299 0.000 5.391 698 A HA -0.301 4.019 4.320 0.000 0.000 0.315 698 A C 0.587 178.105 177.584 -0.111 0.000 1.874 698 A CA 1.602 53.355 52.037 -0.473 0.000 0.714 698 A CB -1.970 16.577 19.000 -0.755 0.000 1.335 698 A HN 1.525 nan 8.150 nan 0.000 0.382 699 D N 0.084 120.400 120.400 -0.139 0.000 2.643 699 D HA 0.347 4.987 4.640 0.000 0.000 0.244 699 D C 0.042 176.387 176.300 0.075 0.000 1.257 699 D CA -0.219 53.716 54.000 -0.109 0.000 0.831 699 D CB 0.000 40.642 40.800 -0.264 0.000 1.043 699 D HN 0.473 nan 8.370 nan 0.000 0.488 700 R N 0.410 120.943 120.500 0.055 0.000 2.534 700 R HA 0.541 4.881 4.340 0.000 0.000 0.301 700 R C -0.761 175.404 176.300 -0.224 0.000 0.961 700 R CA -0.844 55.209 56.100 -0.078 0.000 0.871 700 R CB 1.797 32.032 30.300 -0.107 0.000 1.170 700 R HN 0.042 nan 8.270 nan 0.000 0.446 701 I N 1.907 122.226 120.570 -0.419 0.000 2.433 701 I HA 0.371 4.541 4.170 0.000 0.000 0.292 701 I C -0.541 175.272 176.117 -0.506 0.000 1.001 701 I CA -0.668 60.283 61.300 -0.581 0.000 1.119 701 I CB 2.209 39.603 38.000 -1.011 0.000 1.289 701 I HN 0.173 nan 8.210 nan 0.000 0.438 702 V N 4.653 124.274 119.914 -0.489 0.000 2.577 702 V HA 0.685 4.805 4.120 0.000 0.000 0.303 702 V C -0.209 175.452 176.094 -0.722 0.000 1.042 702 V CA -0.551 61.407 62.300 -0.570 0.000 0.872 702 V CB 2.017 33.578 31.823 -0.437 0.000 0.998 702 V HN 0.828 nan 8.190 nan 0.000 0.423 703 T N 1.307 115.318 114.554 -0.905 0.000 2.916 703 T HA 0.885 5.235 4.350 0.000 0.000 0.292 703 T C -1.078 172.934 174.700 -1.147 0.000 1.055 703 T CA -0.572 60.981 62.100 -0.911 0.000 1.009 703 T CB 2.040 70.438 68.868 -0.783 0.000 1.118 703 T HN 0.202 nan 8.240 nan 0.000 0.497 704 F N 0.123 119.743 119.950 -0.550 0.000 2.599 704 F HA 0.639 5.166 4.527 0.000 0.000 0.311 704 F C 0.699 176.228 175.800 -0.452 0.000 1.076 704 F CA -1.174 56.536 58.000 -0.483 0.000 0.937 704 F CB 2.152 40.713 39.000 -0.732 0.000 1.282 704 F HN 0.726 nan 8.300 nan 0.000 0.460 705 S N 1.204 116.846 115.700 -0.098 0.000 2.537 705 S HA 0.023 4.493 4.470 0.000 0.000 0.286 705 S C 1.218 175.784 174.600 -0.058 0.000 1.299 705 S CA -0.352 57.780 58.200 -0.114 0.000 1.067 705 S CB 0.608 63.803 63.200 -0.009 0.000 0.864 705 S HN 0.787 nan 8.310 nan 0.000 0.494 706 K N 2.581 122.902 120.400 -0.132 0.000 2.360 706 K HA -0.094 4.226 4.320 0.000 0.000 0.201 706 K C 1.532 178.038 176.600 -0.156 0.000 1.046 706 K CA 1.796 57.986 56.287 -0.163 0.000 0.940 706 K CB -0.274 32.131 32.500 -0.159 0.000 0.748 706 K HN 0.827 nan 8.250 nan 0.000 0.465 707 T N -3.763 110.799 114.554 0.013 0.000 3.054 707 T HA 0.107 4.457 4.350 0.000 0.000 0.255 707 T C 0.706 175.580 174.700 0.290 0.000 1.035 707 T CA 0.281 62.475 62.100 0.157 0.000 0.941 707 T CB 0.324 69.272 68.868 0.134 0.000 1.026 707 T HN 0.122 nan 8.240 nan 0.000 0.533 708 S N 0.647 116.530 115.700 0.305 0.000 3.380 708 S HA -0.143 4.327 4.470 0.000 0.000 0.300 708 S C -0.038 174.682 174.600 0.201 0.000 1.255 708 S CA 0.922 59.322 58.200 0.335 0.000 0.963 708 S CB -0.990 62.404 63.200 0.323 0.000 1.106 708 S HN 0.790 nan 8.310 nan 0.000 0.629 709 E N 1.034 121.323 120.200 0.149 0.000 2.232 709 E HA 0.386 4.736 4.350 0.000 0.000 0.264 709 E C 0.240 176.896 176.600 0.094 0.000 0.973 709 E CA -0.465 56.002 56.400 0.113 0.000 0.849 709 E CB 0.726 30.484 29.700 0.097 0.000 1.198 709 E HN 0.291 nan 8.360 nan 0.000 0.407 710 T N 0.778 115.389 114.554 0.094 0.000 2.908 710 T HA 0.096 4.446 4.350 0.000 0.000 0.301 710 T C 0.336 175.097 174.700 0.102 0.000 1.019 710 T CA -0.142 62.017 62.100 0.099 0.000 1.152 710 T CB 0.075 69.008 68.868 0.107 0.000 0.966 710 T HN 0.108 nan 8.240 nan 0.000 0.540 711 V N 4.746 124.726 119.914 0.109 0.000 2.385 711 V HA 0.238 4.358 4.120 0.000 0.000 0.269 711 V C 0.609 176.890 176.094 0.312 0.000 1.043 711 V CA -0.510 61.885 62.300 0.158 0.000 0.906 711 V CB 0.917 32.751 31.823 0.019 0.000 0.995 711 V HN 1.023 nan 8.190 nan 0.000 0.467 712 D N 2.997 123.543 120.400 0.243 0.000 2.650 712 D HA 0.316 4.956 4.640 0.000 0.000 0.265 712 D C 0.200 176.573 176.300 0.122 0.000 1.339 712 D CA -0.497 53.608 54.000 0.174 0.000 0.816 712 D CB 0.522 41.383 40.800 0.101 0.000 1.091 712 D HN 0.335 nan 8.370 nan 0.000 0.483 713 R N -0.014 120.627 120.500 0.236 0.000 2.764 713 R HA 0.606 4.946 4.340 0.000 0.000 0.270 713 R C -2.842 173.672 176.300 0.357 0.000 1.014 713 R CA -1.816 54.405 56.100 0.201 0.000 0.904 713 R CB 1.168 31.574 30.300 0.177 0.000 1.236 713 R HN -0.147 nan 8.270 nan 0.000 0.466 714 P HA 0.197 nan 4.420 nan 0.000 0.268 714 P C -1.191 176.338 177.300 0.382 0.000 1.204 714 P CA 0.096 63.357 63.100 0.268 0.000 0.768 714 P CB 0.273 32.045 31.700 0.119 0.000 0.842 715 F N 0.126 120.278 119.950 0.336 0.000 2.675 715 F HA 0.942 5.469 4.527 0.000 0.000 0.324 715 F C -0.268 175.766 175.800 0.391 0.000 1.106 715 F CA -1.027 57.150 58.000 0.294 0.000 0.970 715 F CB 1.223 40.369 39.000 0.244 0.000 1.385 715 F HN 0.478 nan 8.300 nan 0.000 0.489 716 G N 0.198 109.318 108.800 0.534 0.000 2.632 716 G HA2 0.651 4.611 3.960 0.000 0.000 0.292 716 G HA3 0.651 4.611 3.960 0.000 0.000 0.292 716 G C -2.188 173.019 174.900 0.511 0.000 1.465 716 G CA -0.628 44.701 45.100 0.383 0.000 0.824 716 G HN 1.345 nan 8.290 nan 0.000 0.509 717 F N -1.296 118.847 119.950 0.321 0.000 2.773 717 F HA 0.862 5.389 4.527 0.000 0.000 0.314 717 F C -0.553 175.387 175.800 0.233 0.000 1.160 717 F CA -1.383 56.752 58.000 0.224 0.000 0.920 717 F CB 1.164 40.274 39.000 0.185 0.000 1.323 717 F HN 0.488 nan 8.300 nan 0.000 0.457 718 S N 0.659 116.534 115.700 0.292 0.000 2.537 718 S HA 0.822 5.292 4.470 0.000 0.000 0.301 718 S C -1.169 173.586 174.600 0.259 0.000 1.092 718 S CA -0.732 57.584 58.200 0.194 0.000 1.048 718 S CB 1.973 65.243 63.200 0.117 0.000 1.053 718 S HN 0.574 nan 8.310 nan 0.000 0.501 719 V N 2.954 122.996 119.914 0.214 0.000 2.444 719 V HA 0.495 4.615 4.120 0.000 0.000 0.294 719 V C -0.786 175.339 176.094 0.052 0.000 1.022 719 V CA -0.623 61.737 62.300 0.100 0.000 0.850 719 V CB 1.671 33.557 31.823 0.105 0.000 0.992 719 V HN 0.674 nan 8.190 nan 0.000 0.426 720 V N 3.749 123.653 119.914 -0.016 0.000 2.409 720 V HA 1.023 5.143 4.120 0.000 0.000 0.291 720 V C 0.474 176.586 176.094 0.031 0.000 1.020 720 V CA 0.112 62.428 62.300 0.027 0.000 0.848 720 V CB 1.193 33.035 31.823 0.030 0.000 0.990 720 V HN 1.160 nan 8.190 nan 0.000 0.430 721 G N 3.718 112.607 108.800 0.149 0.000 2.325 721 G HA2 0.406 4.366 3.960 0.000 0.000 0.297 721 G HA3 0.406 4.366 3.960 0.000 0.000 0.297 721 G C -1.831 173.270 174.900 0.334 0.000 1.448 721 G CA -0.904 44.371 45.100 0.291 0.000 0.838 721 G HN 0.356 nan 8.290 nan 0.000 0.579 722 K N -0.057 120.483 120.400 0.234 0.000 2.118 722 K HA 0.783 5.103 4.320 0.000 0.000 0.264 722 K C 0.897 177.470 176.600 -0.046 0.000 1.000 722 K CA 0.732 57.080 56.287 0.101 0.000 0.929 722 K CB 0.986 33.515 32.500 0.049 0.000 1.021 722 K HN 2.156 nan 8.250 nan 0.000 0.463 723 G N 0.894 109.657 108.800 -0.062 0.000 2.796 723 G HA2 -0.241 3.719 3.960 0.000 0.000 0.226 723 G HA3 -0.241 3.719 3.960 0.000 0.000 0.226 723 G C -0.599 174.158 174.900 -0.238 0.000 1.381 723 G CA -0.535 44.465 45.100 -0.167 0.000 0.867 723 G HN 0.495 nan 8.290 nan 0.000 0.552 724 T N 0.629 115.046 114.554 -0.228 0.000 2.909 724 T HA 0.595 4.945 4.350 0.000 0.000 0.289 724 T C -0.176 174.314 174.700 -0.349 0.000 1.005 724 T CA 0.401 62.433 62.100 -0.113 0.000 1.084 724 T CB 0.704 69.572 68.868 0.001 0.000 0.975 724 T HN 0.467 nan 8.240 nan 0.000 0.509 725 F N 1.173 121.183 119.950 0.100 0.000 2.538 725 F HA 0.480 5.007 4.527 0.000 0.000 0.325 725 F C 0.648 176.443 175.800 -0.008 0.000 1.066 725 F CA -1.165 56.810 58.000 -0.042 0.000 0.946 725 F CB 1.634 40.487 39.000 -0.245 0.000 1.199 725 F HN 0.219 nan 8.300 nan 0.000 0.473 726 K N 2.540 122.974 120.400 0.056 0.000 2.263 726 K HA 0.418 4.738 4.320 0.000 0.000 0.272 726 K C -1.537 174.941 176.600 -0.204 0.000 1.033 726 K CA -0.433 55.847 56.287 -0.011 0.000 0.884 726 K CB 0.879 33.460 32.500 0.135 0.000 1.107 726 K HN 0.304 nan 8.250 nan 0.000 0.460 727 F N 2.076 121.620 119.950 -0.676 0.000 2.405 727 F HA 0.219 4.746 4.527 0.000 0.000 0.355 727 F C 0.227 175.616 175.800 -0.686 0.000 1.121 727 F CA -0.878 56.652 58.000 -0.784 0.000 1.112 727 F CB 1.208 39.353 39.000 -1.425 0.000 1.126 727 F HN 0.086 nan 8.300 nan 0.000 0.481 728 V N 5.861 125.547 119.914 -0.381 0.000 2.334 728 V HA 0.405 4.525 4.120 0.000 0.000 0.281 728 V C -0.115 175.660 176.094 -0.531 0.000 1.016 728 V CA -0.684 61.346 62.300 -0.450 0.000 0.832 728 V CB 1.127 32.578 31.823 -0.621 0.000 0.999 728 V HN 0.590 nan 8.190 nan 0.000 0.439 729 M N 4.856 124.177 119.600 -0.465 0.000 2.181 729 M HA 0.563 5.043 4.480 0.000 0.000 0.323 729 M C -0.033 175.953 176.300 -0.524 0.000 1.004 729 M CA -0.287 54.707 55.300 -0.509 0.000 0.941 729 M CB 1.486 33.843 32.600 -0.406 0.000 1.579 729 M HN 0.650 nan 8.290 nan 0.000 0.427 730 T N -2.357 111.840 114.554 -0.596 0.000 2.919 730 T HA 0.493 4.843 4.350 0.000 0.000 0.282 730 T C 0.130 174.657 174.700 -0.288 0.000 1.020 730 T CA -0.457 61.367 62.100 -0.459 0.000 0.994 730 T CB 1.381 69.914 68.868 -0.559 0.000 1.180 730 T HN 0.744 nan 8.240 nan 0.000 0.566 731 D N -0.291 120.055 120.400 -0.090 0.000 2.945 731 D HA -0.121 4.519 4.640 0.000 0.000 0.225 731 D C -0.411 175.877 176.300 -0.020 0.000 1.158 731 D CA 0.516 54.514 54.000 -0.004 0.000 0.805 731 D CB -1.655 39.156 40.800 0.018 0.000 1.098 731 D HN 0.571 nan 8.370 nan 0.000 0.426 732 L N 0.359 121.566 121.223 -0.028 0.000 2.312 732 L HA 0.350 4.690 4.340 0.000 0.000 0.281 732 L C 0.909 177.951 176.870 0.287 0.000 1.070 732 L CA -1.106 53.796 54.840 0.103 0.000 0.805 732 L CB 1.045 43.017 42.059 -0.146 0.000 1.174 732 L HN -0.036 nan 8.230 nan 0.000 0.434 733 L N 6.272 127.750 121.223 0.424 0.000 2.660 733 L HA 0.112 4.452 4.340 0.000 0.000 0.272 733 L C -2.133 174.958 176.870 0.368 0.000 1.194 733 L CA -0.564 54.469 54.840 0.322 0.000 0.945 733 L CB -0.123 42.076 42.059 0.234 0.000 1.212 733 L HN 0.307 nan 8.230 nan 0.000 0.490 734 P HA 0.376 nan 4.420 nan 0.000 0.265 734 P C 0.078 177.479 177.300 0.170 0.000 1.193 734 P CA 0.483 63.713 63.100 0.217 0.000 0.765 734 P CB 0.769 32.552 31.700 0.138 0.000 0.823 735 G N 1.504 110.415 108.800 0.184 0.000 2.332 735 G HA2 0.103 4.063 3.960 0.000 0.000 0.265 735 G HA3 0.103 4.063 3.960 0.000 0.000 0.265 735 G C -1.344 173.622 174.900 0.111 0.000 1.329 735 G CA -0.617 44.533 45.100 0.083 0.000 0.949 735 G HN 0.372 nan 8.290 nan 0.000 0.476 736 T N 1.038 115.587 114.554 -0.008 0.000 2.744 736 T HA 0.546 4.896 4.350 0.000 0.000 0.291 736 T C -0.930 173.720 174.700 -0.082 0.000 0.957 736 T CA 0.225 62.341 62.100 0.027 0.000 1.002 736 T CB 0.719 69.588 68.868 0.001 0.000 0.919 736 T HN 0.414 nan 8.240 nan 0.000 0.468 737 W N 1.864 123.196 121.300 0.053 0.000 2.578 737 W HA 0.549 5.209 4.660 0.000 0.000 0.346 737 W C 0.339 176.873 176.519 0.025 0.000 1.075 737 W CA -0.833 56.550 57.345 0.063 0.000 1.233 737 W CB 1.130 30.660 29.460 0.117 0.000 1.358 737 W HN 0.496 nan 8.180 nan 0.000 0.574 738 Q N 1.341 121.271 119.800 0.217 0.000 2.312 738 Q HA 0.646 4.986 4.340 0.000 0.000 0.263 738 Q C -1.622 174.393 176.000 0.026 0.000 0.995 738 Q CA -0.579 55.274 55.803 0.083 0.000 0.853 738 Q CB 1.823 30.558 28.738 -0.005 0.000 1.300 738 Q HN 0.382 nan 8.270 nan 0.000 0.448 739 V N 4.995 124.847 119.914 -0.103 0.000 2.409 739 V HA 0.434 4.554 4.120 0.000 0.000 0.291 739 V C -0.763 175.079 176.094 -0.420 0.000 1.020 739 V CA -0.672 61.409 62.300 -0.366 0.000 0.848 739 V CB 1.308 32.877 31.823 -0.422 0.000 0.990 739 V HN 0.689 nan 8.190 nan 0.000 0.430 740 L N 4.621 125.528 121.223 -0.527 0.000 2.330 740 L HA 0.683 5.023 4.340 0.000 0.000 0.271 740 L C -0.212 176.315 176.870 -0.573 0.000 1.013 740 L CA -0.258 54.312 54.840 -0.449 0.000 0.816 740 L CB 1.760 43.612 42.059 -0.345 0.000 1.287 740 L HN 0.552 nan 8.230 nan 0.000 0.435 741 K N 1.172 121.241 120.400 -0.551 0.000 2.482 741 K HA 0.312 4.632 4.320 0.000 0.000 0.251 741 K C -1.035 175.298 176.600 -0.445 0.000 0.936 741 K CA -0.482 55.389 56.287 -0.693 0.000 0.791 741 K CB 1.266 33.239 32.500 -0.878 0.000 1.213 741 K HN 0.647 nan 8.250 nan 0.000 0.428 742 D N 2.873 123.042 120.400 -0.385 0.000 2.792 742 D HA -0.220 4.420 4.640 0.000 0.000 0.231 742 D C 0.659 176.835 176.300 -0.207 0.000 1.160 742 D CA 1.852 55.704 54.000 -0.246 0.000 0.697 742 D CB -1.147 39.530 40.800 -0.204 0.000 1.070 742 D HN 1.086 nan 8.370 nan 0.000 0.426 743 G N -1.365 107.297 108.800 -0.229 0.000 2.179 743 G HA2 -0.334 3.626 3.960 0.000 0.000 0.260 743 G HA3 -0.334 3.626 3.960 0.000 0.000 0.260 743 G C 0.292 175.085 174.900 -0.178 0.000 0.977 743 G CA 0.661 45.651 45.100 -0.183 0.000 0.641 743 G HN 0.381 nan 8.290 nan 0.000 0.533 744 K N 0.057 120.332 120.400 -0.209 0.000 2.156 744 K HA 0.604 4.924 4.320 0.000 0.000 0.250 744 K C 0.607 177.066 176.600 -0.234 0.000 0.955 744 K CA -1.003 55.167 56.287 -0.193 0.000 0.855 744 K CB 1.753 34.144 32.500 -0.182 0.000 1.101 744 K HN 0.219 nan 8.250 nan 0.000 0.434 745 I N 2.853 123.302 120.570 -0.202 0.000 2.598 745 I HA -0.141 4.029 4.170 0.000 0.000 0.284 745 I C 1.422 177.372 176.117 -0.279 0.000 1.140 745 I CA 0.136 61.305 61.300 -0.220 0.000 1.420 745 I CB 0.429 38.335 38.000 -0.156 0.000 1.387 745 I HN 0.445 nan 8.210 nan 0.000 0.553 746 L N 8.344 129.341 121.223 -0.375 0.000 2.347 746 L HA 0.220 4.560 4.340 0.000 0.000 0.196 746 L C -0.327 176.143 176.870 -0.667 0.000 1.072 746 L CA 0.996 55.494 54.840 -0.571 0.000 0.817 746 L CB 0.136 41.768 42.059 -0.712 0.000 1.029 746 L HN 0.407 nan 8.230 nan 0.000 0.478 747 Y N -0.070 120.095 120.300 -0.225 0.000 2.426 747 Y HA 0.360 4.910 4.550 0.000 0.000 0.325 747 Y C -1.759 174.064 175.900 -0.129 0.000 0.989 747 Y CA -2.066 55.930 58.100 -0.172 0.000 1.284 747 Y CB 0.995 39.318 38.460 -0.229 0.000 1.104 747 Y HN 0.024 nan 8.280 nan 0.000 0.481 748 P HA -0.133 nan 4.420 nan 0.000 0.218 748 P C -0.136 177.182 177.300 0.031 0.000 1.148 748 P CA 1.232 64.335 63.100 0.006 0.000 0.822 748 P CB 0.514 32.215 31.700 0.002 0.000 0.784 749 A N -0.988 121.870 122.820 0.063 0.000 2.509 749 A HA 0.578 4.898 4.320 0.000 0.000 0.282 749 A C -1.195 176.437 177.584 0.080 0.000 1.054 749 A CA -0.424 51.655 52.037 0.070 0.000 0.820 749 A CB 0.262 19.290 19.000 0.047 0.000 1.333 749 A HN -0.042 nan 8.150 nan 0.000 0.409 750 L N 1.072 122.363 121.223 0.113 0.000 2.333 750 L HA 0.690 5.030 4.340 0.000 0.000 0.269 750 L C 0.272 177.245 176.870 0.173 0.000 1.010 750 L CA -0.773 54.126 54.840 0.099 0.000 0.818 750 L CB 2.464 44.550 42.059 0.045 0.000 1.306 750 L HN 0.603 nan 8.230 nan 0.000 0.430 751 S N 1.124 116.910 115.700 0.143 0.000 2.433 751 S HA 0.648 5.118 4.470 0.000 0.000 0.310 751 S C -0.252 174.455 174.600 0.179 0.000 1.097 751 S CA -0.578 57.723 58.200 0.168 0.000 1.103 751 S CB 1.560 64.827 63.200 0.112 0.000 0.992 751 S HN 0.607 nan 8.310 nan 0.000 0.469 752 A N 4.416 127.389 122.820 0.254 0.000 2.252 752 A HA 0.515 4.835 4.320 0.000 0.000 0.309 752 A C 0.011 177.696 177.584 0.168 0.000 1.285 752 A CA -0.643 51.513 52.037 0.198 0.000 0.900 752 A CB 0.267 19.426 19.000 0.265 0.000 1.157 752 A HN 0.749 nan 8.150 nan 0.000 0.536 753 K N 1.525 121.993 120.400 0.114 0.000 2.087 753 K HA 0.430 4.750 4.320 0.000 0.000 0.255 753 K C 1.487 178.140 176.600 0.088 0.000 0.988 753 K CA 0.111 56.453 56.287 0.091 0.000 0.915 753 K CB 1.149 33.688 32.500 0.065 0.000 1.043 753 K HN 0.669 nan 8.250 nan 0.000 0.457 754 G N 1.070 109.915 108.800 0.075 0.000 2.421 754 G HA2 -0.258 3.702 3.960 0.000 0.000 0.216 754 G HA3 -0.258 3.702 3.960 0.000 0.000 0.216 754 G C 0.835 175.775 174.900 0.067 0.000 1.171 754 G CA 0.830 45.974 45.100 0.073 0.000 0.775 754 G HN 0.625 nan 8.290 nan 0.000 0.543 755 D N 0.725 121.152 120.400 0.046 0.000 2.149 755 D HA -0.085 4.555 4.640 0.000 0.000 0.198 755 D C 2.034 178.366 176.300 0.053 0.000 0.990 755 D CA 1.617 55.634 54.000 0.028 0.000 0.839 755 D CB -0.041 40.752 40.800 -0.011 0.000 0.948 755 D HN 0.556 nan 8.370 nan 0.000 0.460 756 D N -2.512 117.944 120.400 0.093 0.000 2.479 756 D HA 0.139 4.779 4.640 0.000 0.000 0.221 756 D C 1.364 177.771 176.300 0.179 0.000 1.104 756 D CA 0.731 54.844 54.000 0.188 0.000 0.849 756 D CB -0.400 40.522 40.800 0.204 0.000 1.072 756 D HN 0.099 nan 8.370 nan 0.000 0.502 757 G N 0.386 109.254 108.800 0.114 0.000 2.273 757 G HA2 0.059 4.019 3.960 0.000 0.000 0.280 757 G HA3 0.059 4.019 3.960 0.000 0.000 0.280 757 G C 0.300 175.197 174.900 -0.005 0.000 1.047 757 G CA 0.457 45.610 45.100 0.089 0.000 0.869 757 G HN 0.913 nan 8.290 nan 0.000 0.502 758 A N -0.879 121.922 122.820 -0.032 0.000 2.479 758 A HA 0.922 5.242 4.320 0.000 0.000 0.296 758 A C -0.381 177.137 177.584 -0.109 0.000 1.121 758 A CA -0.787 51.161 52.037 -0.148 0.000 0.743 758 A CB 1.498 20.367 19.000 -0.218 0.000 1.323 758 A HN 0.747 nan 8.150 nan 0.000 0.415 759 L N 0.888 122.016 121.223 -0.159 0.000 2.346 759 L HA 0.533 4.873 4.340 0.000 0.000 0.276 759 L C -1.246 175.657 176.870 0.056 0.000 1.006 759 L CA -0.634 54.193 54.840 -0.021 0.000 0.817 759 L CB 1.865 43.911 42.059 -0.022 0.000 1.272 759 L HN 0.824 nan 8.230 nan 0.000 0.421 760 Y N 4.379 124.695 120.300 0.027 0.000 2.391 760 Y HA 0.686 5.236 4.550 0.000 0.000 0.341 760 Y C -1.058 174.919 175.900 0.127 0.000 0.965 760 Y CA -1.043 57.047 58.100 -0.017 0.000 1.067 760 Y CB 1.510 39.968 38.460 -0.002 0.000 1.199 760 Y HN 0.416 nan 8.280 nan 0.000 0.450 761 F N 1.713 121.178 119.950 -0.809 0.000 2.741 761 F HA 0.626 5.153 4.527 0.000 0.000 0.311 761 F C -1.549 173.959 175.800 -0.486 0.000 1.149 761 F CA -1.241 56.386 58.000 -0.622 0.000 0.930 761 F CB 1.155 39.862 39.000 -0.488 0.000 1.312 761 F HN 0.402 nan 8.300 nan 0.000 0.450 762 E N 0.301 120.486 120.200 -0.026 0.000 2.250 762 E HA 0.775 5.125 4.350 0.000 0.000 0.265 762 E C -0.350 176.505 176.600 0.425 0.000 1.033 762 E CA -1.092 55.404 56.400 0.160 0.000 0.888 762 E CB 2.009 31.806 29.700 0.162 0.000 1.151 762 E HN 1.074 nan 8.360 nan 0.000 0.412 763 G N 0.016 109.101 108.800 0.475 0.000 2.368 763 G HA2 0.317 4.277 3.960 0.000 0.000 0.293 763 G HA3 0.317 4.277 3.960 0.000 0.000 0.293 763 G C -0.693 174.559 174.900 0.585 0.000 1.467 763 G CA -0.453 44.946 45.100 0.498 0.000 0.804 763 G HN 0.495 nan 8.290 nan 0.000 0.535 764 T N -2.034 112.803 114.554 0.471 0.000 2.876 764 T HA 0.715 5.065 4.350 0.000 0.000 0.277 764 T C 0.514 175.521 174.700 0.511 0.000 0.997 764 T CA -0.165 62.200 62.100 0.442 0.000 0.966 764 T CB 1.236 70.244 68.868 0.233 0.000 1.312 764 T HN 0.956 nan 8.240 nan 0.000 0.598 765 E N -0.340 120.092 120.200 0.386 0.000 2.404 765 E HA 0.495 4.845 4.350 0.000 0.000 0.261 765 E C 0.399 177.108 176.600 0.182 0.000 1.074 765 E CA -0.722 55.858 56.400 0.300 0.000 0.917 765 E CB -0.025 29.808 29.700 0.220 0.000 0.965 765 E HN 1.181 nan 8.360 nan 0.000 0.433 766 G N 0.466 109.354 108.800 0.148 0.000 2.369 766 G HA2 0.170 4.130 3.960 0.000 0.000 0.293 766 G HA3 0.170 4.130 3.960 0.000 0.000 0.293 766 G C -1.075 173.802 174.900 -0.038 0.000 1.301 766 G CA -0.388 44.695 45.100 -0.028 0.000 0.913 766 G HN 0.765 nan 8.290 nan 0.000 0.540 767 T N -0.664 113.782 114.554 -0.180 0.000 2.758 767 T HA 0.700 5.050 4.350 0.000 0.000 0.285 767 T C -0.957 173.553 174.700 -0.318 0.000 0.981 767 T CA -0.387 61.633 62.100 -0.133 0.000 0.965 767 T CB 0.526 69.347 68.868 -0.078 0.000 0.927 767 T HN 0.514 nan 8.240 nan 0.000 0.448 768 Y N 3.217 123.307 120.300 -0.349 0.000 2.387 768 Y HA 0.733 5.283 4.550 0.000 0.000 0.330 768 Y C 0.871 176.432 175.900 -0.565 0.000 1.133 768 Y CA -0.995 56.777 58.100 -0.547 0.000 1.152 768 Y CB 1.262 39.311 38.460 -0.686 0.000 1.215 768 Y HN 0.393 nan 8.280 nan 0.000 0.466 769 R N 2.090 122.222 120.500 -0.614 0.000 2.686 769 R HA 0.479 4.819 4.340 0.000 0.000 0.283 769 R C -2.025 173.734 176.300 -0.901 0.000 0.978 769 R CA -1.238 54.548 56.100 -0.524 0.000 0.897 769 R CB 1.570 31.692 30.300 -0.297 0.000 1.192 769 R HN 0.571 nan 8.270 nan 0.000 0.457 770 F N 2.634 122.378 119.950 -0.343 0.000 2.493 770 F HA 0.522 5.049 4.527 0.000 0.000 0.329 770 F C 0.148 175.938 175.800 -0.017 0.000 1.126 770 F CA -0.626 57.206 58.000 -0.279 0.000 0.937 770 F CB 1.429 39.944 39.000 -0.810 0.000 1.146 770 F HN 0.044 nan 8.300 nan 0.000 0.442 771 L N 3.557 124.915 121.223 0.225 0.000 2.342 771 L HA 0.794 5.135 4.340 0.000 0.000 0.271 771 L C -0.253 176.562 176.870 -0.092 0.000 1.008 771 L CA -0.902 53.977 54.840 0.066 0.000 0.818 771 L CB 2.333 44.376 42.059 -0.027 0.000 1.296 771 L HN 0.624 nan 8.230 nan 0.000 0.427 772 R N 0.000 120.293 120.500 -0.345 0.000 2.786 772 R HA 0.000 4.340 4.340 0.000 0.000 0.208 772 R CA 0.000 55.671 56.100 -0.715 0.000 0.921 772 R CB 0.000 29.426 30.300 -1.456 0.000 0.687 772 R HN 0.000 nan 8.270 nan 0.000 0.535