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 1cm5_1_A DATA FIRST_RESID 1 DATA SEQUENCE SELNEKLATA WEGFTKGDWQ NEVNVRDFIQ KNYTPYEGDE SFLAGATEAT DATA SEQUENCE TTLWDKVMEG VKLENRTHAP VDFDTAVAST ITSHDAGYIN KQLEKIVGLQ DATA SEQUENCE TEAPLKRALI PFGGIKMIEG SCKAYNRELD PMIKKIFTEY RKTHNQGVFD DATA SEQUENCE VYTPDILRCR KSGVLTGLPD AYGRGRIIGD YRRVALYGID YLMKDKLAQF DATA SEQUENCE TSLQADLENG VNLEQTIRLR EEIAEQHRAL GQMKEMAAKY GYDISGPATN DATA SEQUENCE AQEAIQWTYF GYLAAVKSQN GAAMSFGRTS TFLDVYIERD LKAGKITEQE DATA SEQUENCE AQEMVDHLVM KLRMVRFLRT PEYDELFSGD PIWATESIGG MGLDGRTLVT DATA SEQUENCE KNSFRFLNTL YTMGPSPEPN MTILWSEKLP LNFKKFAAKV SIDTSSLQYE DATA SEQUENCE NDDLMRPDFN NDDYAIAAAV SPMIVGKQMQ FFGARANLAK TMLYAINGGV DATA SEQUENCE DEKLKMQVGP KSEPIKGDVL NYDEVMERMD HFMDWLAKQY ITALNIIHYM DATA SEQUENCE HDKYSYEASL MALHDRDVIR TMACGIAGLS VAADSLSAIK YAKVKPIRDE DATA SEQUENCE DGLAIDFEIE GEYPQFGNND PRVDDLAVDL VERFMKKIQK LHTYRDAIPT DATA SEQUENCE QSVLTITSNV VYGKKTGNTP DGRRAGAPFG PGANPMHGRD QKGAVASLTS DATA SEQUENCE VAKLPFAYAK DGISYTFSIV PNALGKDDEV RKTNLAGLMD GYFHHEASIE DATA SEQUENCE GGQHLNVNVM NREMLLDAME NPEKYPQLTI RVSGYAVRFN SLTKEQQQDV DATA SEQUENCE ITRTFTQSM 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.635 174.600 0.058 0.000 1.055 1 S CA 0.000 58.224 58.200 0.040 0.000 1.107 1 S CB 0.000 63.219 63.200 0.031 0.000 0.593 2 E N 2.371 122.617 120.200 0.076 0.000 1.802 2 E HA 0.522 4.872 4.350 -0.000 0.000 0.265 2 E C -0.846 175.833 176.600 0.131 0.000 1.168 2 E CA -0.154 56.321 56.400 0.124 0.000 1.033 2 E CB -0.038 29.758 29.700 0.160 0.000 1.095 2 E HN 0.422 nan 8.360 nan 0.000 0.436 3 L N 4.004 125.283 121.223 0.094 0.000 2.847 3 L HA 0.242 4.582 4.340 -0.000 0.000 0.243 3 L C -1.164 175.716 176.870 0.016 0.000 0.978 3 L CA -0.131 54.745 54.840 0.059 0.000 1.030 3 L CB 0.674 42.772 42.059 0.064 0.000 1.351 3 L HN 0.360 nan 8.230 nan 0.000 0.512 4 N N 1.841 120.532 118.700 -0.016 0.000 2.354 4 N HA 0.111 4.851 4.740 -0.000 0.000 0.246 4 N C 0.592 176.073 175.510 -0.047 0.000 1.285 4 N CA 0.231 53.268 53.050 -0.021 0.000 0.925 4 N CB 1.051 39.526 38.487 -0.019 0.000 1.174 4 N HN 0.721 nan 8.380 nan 0.000 0.478 5 E N 0.595 120.777 120.200 -0.030 0.000 2.150 5 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 5 E C 1.359 177.927 176.600 -0.053 0.000 0.985 5 E CA 0.909 57.291 56.400 -0.030 0.000 0.814 5 E CB 0.179 29.872 29.700 -0.013 0.000 0.752 5 E HN 0.543 nan 8.360 nan 0.000 0.466 6 K N 0.921 121.281 120.400 -0.067 0.000 2.137 6 K HA -0.013 4.307 4.320 -0.000 0.000 0.202 6 K C 2.084 178.568 176.600 -0.193 0.000 1.052 6 K CA 0.296 56.532 56.287 -0.086 0.000 0.961 6 K CB 0.168 32.641 32.500 -0.046 0.000 0.741 6 K HN 0.062 nan 8.250 nan 0.000 0.452 7 L N 0.549 121.595 121.223 -0.296 0.000 2.046 7 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 7 L C 2.570 179.113 176.870 -0.546 0.000 1.077 7 L CA 1.271 55.703 54.840 -0.679 0.000 0.747 7 L CB -0.529 41.074 42.059 -0.760 0.000 0.896 7 L HN 0.229 nan 8.230 nan 0.000 0.432 8 A N -0.436 122.254 122.820 -0.216 0.000 1.969 8 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 8 A C 2.345 179.911 177.584 -0.029 0.000 1.169 8 A CA 2.154 54.166 52.037 -0.042 0.000 0.635 8 A CB -0.741 18.252 19.000 -0.011 0.000 0.810 8 A HN 0.396 nan 8.150 nan 0.000 0.445 9 T N 0.088 114.597 114.554 -0.074 0.000 2.812 9 T HA 0.085 4.435 4.350 -0.000 0.000 0.264 9 T C 2.218 176.885 174.700 -0.056 0.000 1.042 9 T CA 1.319 63.387 62.100 -0.053 0.000 1.140 9 T CB -0.339 68.501 68.868 -0.046 0.000 0.870 9 T HN 0.554 nan 8.240 nan 0.000 0.445 10 A N 0.617 123.381 122.820 -0.094 0.000 1.968 10 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 10 A C 1.509 179.180 177.584 0.145 0.000 1.169 10 A CA 0.756 52.777 52.037 -0.026 0.000 0.638 10 A CB -0.610 18.329 19.000 -0.103 0.000 0.812 10 A HN 0.608 nan 8.150 nan 0.000 0.446 11 W N 0.618 121.932 121.300 0.023 0.000 3.330 11 W HA 0.372 5.032 4.660 -0.000 0.000 0.348 11 W C 0.330 176.702 176.519 -0.244 0.000 1.205 11 W CA -1.037 56.336 57.345 0.047 0.000 1.841 11 W CB -0.888 28.819 29.460 0.412 0.000 1.084 11 W HN 0.328 nan 8.180 nan 0.000 0.665 12 E N 0.678 120.824 120.200 -0.089 0.000 2.498 12 E HA 0.286 4.636 4.350 -0.000 0.000 0.252 12 E C 1.438 177.871 176.600 -0.279 0.000 1.025 12 E CA 1.701 58.026 56.400 -0.124 0.000 0.938 12 E CB 0.084 29.724 29.700 -0.100 0.000 0.947 12 E HN 0.323 nan 8.360 nan 0.000 0.478 13 G N 4.117 112.838 108.800 -0.132 0.000 2.232 13 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.226 13 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.226 13 G C 0.264 175.181 174.900 0.029 0.000 0.996 13 G CA -0.084 44.951 45.100 -0.108 0.000 0.626 13 G HN 0.489 nan 8.290 nan 0.000 0.509 14 F N 2.197 122.203 119.950 0.093 0.000 2.418 14 F HA 0.428 4.955 4.527 -0.000 0.000 0.341 14 F C 1.283 177.178 175.800 0.159 0.000 1.120 14 F CA -0.198 57.861 58.000 0.098 0.000 1.232 14 F CB 0.918 40.062 39.000 0.240 0.000 1.175 14 F HN -0.080 nan 8.300 nan 0.000 0.569 15 T N 3.114 117.852 114.554 0.306 0.000 2.851 15 T HA 0.095 4.445 4.350 -0.000 0.000 0.298 15 T C 0.078 175.005 174.700 0.378 0.000 0.977 15 T CA -0.791 61.442 62.100 0.222 0.000 1.126 15 T CB 0.592 69.508 68.868 0.080 0.000 0.916 15 T HN 0.489 nan 8.240 nan 0.000 0.529 16 K N 1.802 122.330 120.400 0.212 0.000 2.336 16 K HA 0.541 4.861 4.320 -0.000 0.000 0.262 16 K C 0.343 177.013 176.600 0.117 0.000 0.992 16 K CA -0.582 55.751 56.287 0.077 0.000 0.927 16 K CB 0.341 32.842 32.500 0.002 0.000 0.956 16 K HN 0.755 nan 8.250 nan 0.000 0.495 17 G N 0.633 109.358 108.800 -0.125 0.000 2.322 17 G HA2 0.035 3.995 3.960 -0.000 0.000 0.295 17 G HA3 0.035 3.995 3.960 -0.000 0.000 0.295 17 G C -0.798 174.024 174.900 -0.130 0.000 1.369 17 G CA -0.548 44.567 45.100 0.024 0.000 0.821 17 G HN 0.537 nan 8.290 nan 0.000 0.536 18 D N 0.047 120.477 120.400 0.049 0.000 2.221 18 D HA -0.102 4.538 4.640 -0.000 0.000 0.204 18 D C 2.264 178.609 176.300 0.075 0.000 0.982 18 D CA 1.827 55.857 54.000 0.050 0.000 0.857 18 D CB -0.120 40.740 40.800 0.100 0.000 0.934 18 D HN 0.620 nan 8.370 nan 0.000 0.475 19 W N 1.378 122.722 121.300 0.073 0.000 2.359 19 W HA -0.170 4.490 4.660 -0.000 0.000 0.275 19 W C 1.057 177.635 176.519 0.099 0.000 1.217 19 W CA 0.499 57.906 57.345 0.103 0.000 1.196 19 W CB -0.870 28.629 29.460 0.065 0.000 1.129 19 W HN 0.099 nan 8.180 nan 0.000 0.566 20 Q N 0.418 119.813 119.800 -0.675 0.000 2.389 20 Q HA -0.041 4.299 4.340 -0.000 0.000 0.204 20 Q C 1.406 177.423 176.000 0.028 0.000 0.944 20 Q CA 0.799 56.265 55.803 -0.562 0.000 0.908 20 Q CB -0.063 28.223 28.738 -0.753 0.000 1.002 20 Q HN 0.326 nan 8.270 nan 0.000 0.493 21 N N 0.724 119.453 118.700 0.049 0.000 2.220 21 N HA 0.033 4.773 4.740 -0.000 0.000 0.195 21 N C -0.215 175.413 175.510 0.197 0.000 1.123 21 N CA 0.415 53.549 53.050 0.139 0.000 0.874 21 N CB 0.850 39.377 38.487 0.066 0.000 0.995 21 N HN 0.412 nan 8.380 nan 0.000 0.498 22 E N -1.278 119.044 120.200 0.204 0.000 2.445 22 E HA 0.325 4.675 4.350 -0.000 0.000 0.279 22 E C -1.211 175.459 176.600 0.118 0.000 1.018 22 E CA -0.868 55.630 56.400 0.164 0.000 0.816 22 E CB 1.469 31.233 29.700 0.107 0.000 1.356 22 E HN -0.330 nan 8.360 nan 0.000 0.462 23 V N 2.331 122.237 119.914 -0.013 0.000 2.421 23 V HA 0.219 4.339 4.120 -0.000 0.000 0.271 23 V C -0.239 175.926 176.094 0.119 0.000 1.031 23 V CA -0.019 62.197 62.300 -0.141 0.000 1.032 23 V CB -0.180 31.557 31.823 -0.143 0.000 1.009 23 V HN 0.671 nan 8.190 nan 0.000 0.477 24 N N 4.520 123.406 118.700 0.310 0.000 2.946 24 N HA 0.128 4.868 4.740 -0.000 0.000 0.213 24 N C 0.242 175.911 175.510 0.266 0.000 1.440 24 N CA -0.185 53.010 53.050 0.242 0.000 0.745 24 N CB 1.639 40.270 38.487 0.239 0.000 1.471 24 N HN 0.213 nan 8.380 nan 0.000 0.569 25 V N 1.728 121.746 119.914 0.174 0.000 2.407 25 V HA -0.134 3.986 4.120 -0.000 0.000 0.248 25 V C 2.641 178.781 176.094 0.078 0.000 1.055 25 V CA 1.391 63.745 62.300 0.091 0.000 1.049 25 V CB -0.384 31.399 31.823 -0.067 0.000 0.662 25 V HN 0.524 nan 8.190 nan 0.000 0.455 26 R N 0.532 121.053 120.500 0.034 0.000 2.073 26 R HA -0.225 4.115 4.340 -0.000 0.000 0.234 26 R C 2.084 178.388 176.300 0.007 0.000 1.134 26 R CA 2.383 58.482 56.100 -0.002 0.000 0.952 26 R CB -0.660 29.632 30.300 -0.014 0.000 0.850 26 R HN 0.609 nan 8.270 nan 0.000 0.433 27 D N -0.515 119.926 120.400 0.068 0.000 2.144 27 D HA -0.190 4.450 4.640 -0.000 0.000 0.199 27 D C 1.817 178.080 176.300 -0.061 0.000 0.984 27 D CA 1.099 55.152 54.000 0.088 0.000 0.834 27 D CB -0.234 40.704 40.800 0.230 0.000 0.955 27 D HN 0.243 nan 8.370 nan 0.000 0.465 28 F N 0.790 120.508 119.950 -0.387 0.000 2.134 28 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 28 F C 1.899 177.306 175.800 -0.656 0.000 1.097 28 F CA 1.342 58.703 58.000 -1.064 0.000 1.264 28 F CB -0.277 38.035 39.000 -1.147 0.000 1.001 28 F HN 0.003 nan 8.300 nan 0.000 0.479 29 I N 0.077 120.432 120.570 -0.358 0.000 2.179 29 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 29 I C 2.473 178.468 176.117 -0.202 0.000 1.088 29 I CA 1.095 62.200 61.300 -0.326 0.000 1.357 29 I CB -0.715 37.201 38.000 -0.140 0.000 1.051 29 I HN 0.192 nan 8.210 nan 0.000 0.409 30 Q N 0.904 120.633 119.800 -0.119 0.000 2.096 30 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 30 Q C 2.078 178.046 176.000 -0.053 0.000 0.982 30 Q CA 1.357 57.169 55.803 0.015 0.000 0.850 30 Q CB -0.251 28.491 28.738 0.007 0.000 0.901 30 Q HN 0.432 nan 8.270 nan 0.000 0.422 31 K N 0.113 120.402 120.400 -0.184 0.000 2.418 31 K HA 0.070 4.390 4.320 -0.000 0.000 0.195 31 K C 1.075 177.481 176.600 -0.323 0.000 1.035 31 K CA 0.340 56.518 56.287 -0.182 0.000 1.003 31 K CB 0.345 32.812 32.500 -0.056 0.000 0.793 31 K HN 0.260 nan 8.250 nan 0.000 0.494 32 N N -0.250 118.134 118.700 -0.527 0.000 2.266 32 N HA -0.011 4.729 4.740 -0.000 0.000 0.217 32 N C 0.282 175.523 175.510 -0.448 0.000 1.211 32 N CA -0.116 52.568 53.050 -0.610 0.000 0.881 32 N CB 0.590 38.366 38.487 -1.184 0.000 1.153 32 N HN 0.165 nan 8.380 nan 0.000 0.489 33 Y N 2.790 122.806 120.300 -0.474 0.000 2.457 33 Y HA 0.235 4.785 4.550 -0.000 0.000 0.341 33 Y C 0.342 176.111 175.900 -0.219 0.000 1.240 33 Y CA -0.544 57.360 58.100 -0.326 0.000 1.437 33 Y CB 0.324 38.626 38.460 -0.264 0.000 1.328 33 Y HN -0.193 nan 8.280 nan 0.000 0.588 34 T N 3.231 117.631 114.554 -0.257 0.000 2.770 34 T HA 0.471 4.821 4.350 -0.000 0.000 0.297 34 T C -2.773 171.826 174.700 -0.168 0.000 0.997 34 T CA -2.340 59.581 62.100 -0.299 0.000 0.949 34 T CB 0.921 69.686 68.868 -0.172 0.000 0.941 34 T HN 0.499 nan 8.240 nan 0.000 0.457 35 P HA 0.174 nan 4.420 nan 0.000 0.268 35 P C -1.370 175.968 177.300 0.064 0.000 1.205 35 P CA -0.256 62.833 63.100 -0.018 0.000 0.771 35 P CB 0.150 31.790 31.700 -0.100 0.000 0.858 36 Y N 1.720 122.002 120.300 -0.030 0.000 2.361 36 Y HA 0.286 4.836 4.550 -0.000 0.000 0.337 36 Y C 0.611 176.513 175.900 0.003 0.000 0.965 36 Y CA -0.309 57.759 58.100 -0.054 0.000 1.091 36 Y CB 1.764 40.178 38.460 -0.076 0.000 1.182 36 Y HN 0.431 nan 8.280 nan 0.000 0.450 37 E N 3.039 122.925 120.200 -0.523 0.000 2.562 37 E HA 0.218 4.567 4.350 -0.000 0.000 0.214 37 E C 0.760 177.021 176.600 -0.565 0.000 0.979 37 E CA -0.156 56.015 56.400 -0.382 0.000 1.002 37 E CB 0.861 30.445 29.700 -0.193 0.000 1.048 37 E HN 0.834 nan 8.360 nan 0.000 0.488 38 G N 1.667 109.694 108.800 -1.288 0.000 2.588 38 G HA2 0.140 4.100 3.960 -0.000 0.000 0.278 38 G HA3 0.140 4.100 3.960 -0.000 0.000 0.278 38 G C -0.005 174.592 174.900 -0.505 0.000 1.307 38 G CA -0.267 44.320 45.100 -0.855 0.000 1.016 38 G HN 0.096 nan 8.290 nan 0.000 0.503 39 D N -2.290 118.017 120.400 -0.155 0.000 2.530 39 D HA 0.295 4.935 4.640 -0.000 0.000 0.282 39 D C 0.668 176.876 176.300 -0.153 0.000 1.204 39 D CA -0.450 53.528 54.000 -0.037 0.000 1.093 39 D CB 0.324 41.140 40.800 0.028 0.000 1.154 39 D HN 0.330 nan 8.370 nan 0.000 0.593 40 E N -1.004 119.080 120.200 -0.193 0.000 2.479 40 E HA 0.056 4.406 4.350 -0.000 0.000 0.193 40 E C 1.533 177.904 176.600 -0.382 0.000 1.049 40 E CA 0.308 56.441 56.400 -0.444 0.000 0.870 40 E CB -0.217 28.980 29.700 -0.838 0.000 0.944 40 E HN 0.397 nan 8.360 nan 0.000 0.492 41 S N 0.753 116.368 115.700 -0.142 0.000 2.440 41 S HA -0.234 4.236 4.470 -0.000 0.000 0.238 41 S C 1.773 176.327 174.600 -0.077 0.000 1.010 41 S CA 0.938 59.084 58.200 -0.090 0.000 0.972 41 S CB -0.848 62.346 63.200 -0.010 0.000 0.774 41 S HN 0.569 nan 8.310 nan 0.000 0.501 42 F N 1.370 121.252 119.950 -0.113 0.000 2.512 42 F HA 0.428 4.955 4.527 -0.000 0.000 0.296 42 F C 0.560 176.308 175.800 -0.087 0.000 1.110 42 F CA -0.833 57.106 58.000 -0.103 0.000 1.446 42 F CB -0.689 38.226 39.000 -0.141 0.000 1.092 42 F HN -0.005 nan 8.300 nan 0.000 0.554 43 L N 2.085 122.698 121.223 -1.017 0.000 2.578 43 L HA 0.155 4.495 4.340 -0.000 0.000 0.279 43 L C 0.706 177.422 176.870 -0.258 0.000 1.227 43 L CA -0.040 54.391 54.840 -0.681 0.000 0.900 43 L CB -0.014 41.712 42.059 -0.555 0.000 1.144 43 L HN 0.368 nan 8.230 nan 0.000 0.496 44 A N 3.098 125.834 122.820 -0.141 0.000 2.269 44 A HA 0.752 5.072 4.320 -0.000 0.000 0.319 44 A C 0.333 177.893 177.584 -0.041 0.000 1.110 44 A CA 0.076 52.076 52.037 -0.062 0.000 0.847 44 A CB 1.011 19.997 19.000 -0.023 0.000 1.161 44 A HN 0.746 nan 8.150 nan 0.000 0.497 45 G N -1.091 107.695 108.800 -0.023 0.000 2.535 45 G HA2 0.596 4.555 3.960 -0.000 0.000 0.303 45 G HA3 0.596 4.555 3.960 -0.000 0.000 0.303 45 G C 0.270 175.174 174.900 0.007 0.000 1.237 45 G CA 0.009 45.107 45.100 -0.003 0.000 0.986 45 G HN 1.409 nan 8.290 nan 0.000 0.494 46 A N -0.399 122.434 122.820 0.022 0.000 2.386 46 A HA 0.585 4.905 4.320 -0.000 0.000 0.248 46 A C 1.040 178.643 177.584 0.032 0.000 1.082 46 A CA 0.462 52.516 52.037 0.029 0.000 0.789 46 A CB -0.074 18.952 19.000 0.044 0.000 1.025 46 A HN 1.312 nan 8.150 nan 0.000 0.490 47 T N -1.058 113.520 114.554 0.040 0.000 2.881 47 T HA 0.347 4.697 4.350 -0.000 0.000 0.278 47 T C 0.826 175.562 174.700 0.061 0.000 0.982 47 T CA 0.005 62.129 62.100 0.041 0.000 0.989 47 T CB 1.120 70.008 68.868 0.034 0.000 1.058 47 T HN 0.681 nan 8.240 nan 0.000 0.529 48 E N 0.324 120.555 120.200 0.052 0.000 2.110 48 E HA -0.129 4.220 4.350 -0.000 0.000 0.193 48 E C 2.370 179.012 176.600 0.071 0.000 0.988 48 E CA 1.119 57.552 56.400 0.054 0.000 0.804 48 E CB -0.416 29.308 29.700 0.040 0.000 0.745 48 E HN 0.800 nan 8.360 nan 0.000 0.458 49 A N 0.372 123.246 122.820 0.089 0.000 1.883 49 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 49 A C 2.365 180.030 177.584 0.136 0.000 1.186 49 A CA 2.063 54.170 52.037 0.116 0.000 0.624 49 A CB -0.948 18.147 19.000 0.157 0.000 0.822 49 A HN 0.234 nan 8.150 nan 0.000 0.444 50 T N -0.225 114.445 114.554 0.195 0.000 2.652 50 T HA -0.136 4.213 4.350 -0.000 0.000 0.267 50 T C 2.044 176.820 174.700 0.127 0.000 1.039 50 T CA 2.070 64.274 62.100 0.173 0.000 1.153 50 T CB -0.630 68.347 68.868 0.182 0.000 0.863 50 T HN 0.567 nan 8.240 nan 0.000 0.428 51 T N 1.705 116.332 114.554 0.121 0.000 2.746 51 T HA -0.115 4.234 4.350 -0.000 0.000 0.267 51 T C 2.264 177.029 174.700 0.108 0.000 1.039 51 T CA 1.642 63.821 62.100 0.132 0.000 1.142 51 T CB -0.672 68.254 68.868 0.096 0.000 0.866 51 T HN 0.408 nan 8.240 nan 0.000 0.444 52 T N 2.386 116.985 114.554 0.075 0.000 2.708 52 T HA 0.030 4.380 4.350 -0.000 0.000 0.266 52 T C 1.999 176.723 174.700 0.039 0.000 1.037 52 T CA 0.917 63.044 62.100 0.045 0.000 1.146 52 T CB -0.486 68.405 68.868 0.038 0.000 0.865 52 T HN 0.235 nan 8.240 nan 0.000 0.435 53 L N -0.324 120.928 121.223 0.048 0.000 1.989 53 L HA -0.100 4.240 4.340 -0.000 0.000 0.211 53 L C 2.540 179.469 176.870 0.100 0.000 1.071 53 L CA 1.586 56.447 54.840 0.035 0.000 0.749 53 L CB -0.516 41.516 42.059 -0.045 0.000 0.890 53 L HN 0.488 nan 8.230 nan 0.000 0.431 54 W N 1.429 122.685 121.300 -0.073 0.000 2.358 54 W HA -0.226 4.434 4.660 -0.000 0.000 0.303 54 W C 1.971 178.466 176.519 -0.039 0.000 1.208 54 W CA 1.383 58.691 57.345 -0.061 0.000 1.274 54 W CB -0.004 29.424 29.460 -0.054 0.000 1.138 54 W HN 0.271 nan 8.180 nan 0.000 0.515 55 D N 0.577 120.907 120.400 -0.116 0.000 2.144 55 D HA -0.201 4.439 4.640 -0.000 0.000 0.199 55 D C 1.842 178.001 176.300 -0.235 0.000 0.984 55 D CA 1.586 55.453 54.000 -0.223 0.000 0.834 55 D CB -0.350 40.403 40.800 -0.079 0.000 0.955 55 D HN 0.063 nan 8.370 nan 0.000 0.465 56 K N 0.542 120.852 120.400 -0.150 0.000 2.057 56 K HA -0.042 4.278 4.320 -0.000 0.000 0.206 56 K C 1.806 178.300 176.600 -0.177 0.000 1.050 56 K CA 0.684 56.898 56.287 -0.122 0.000 0.935 56 K CB -0.350 32.116 32.500 -0.057 0.000 0.715 56 K HN -0.039 nan 8.250 nan 0.000 0.439 57 V N 0.753 120.527 119.914 -0.234 0.000 2.427 57 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 57 V C 2.290 178.112 176.094 -0.454 0.000 1.051 57 V CA 1.375 63.511 62.300 -0.274 0.000 1.048 57 V CB -0.447 31.277 31.823 -0.165 0.000 0.666 57 V HN 0.355 nan 8.190 nan 0.000 0.456 58 M N -0.522 118.647 119.600 -0.719 0.000 2.358 58 M HA -0.115 4.365 4.480 -0.000 0.000 0.264 58 M C 2.146 178.251 176.300 -0.324 0.000 1.064 58 M CA 1.361 56.276 55.300 -0.643 0.000 1.093 58 M CB -1.004 31.168 32.600 -0.714 0.000 1.401 58 M HN 0.363 nan 8.290 nan 0.000 0.440 59 E N -0.582 119.469 120.200 -0.248 0.000 2.150 59 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 59 E C 2.084 178.610 176.600 -0.122 0.000 0.985 59 E CA 1.364 57.674 56.400 -0.151 0.000 0.814 59 E CB -0.462 29.169 29.700 -0.116 0.000 0.752 59 E HN 0.563 nan 8.360 nan 0.000 0.466 60 G N 0.690 109.410 108.800 -0.134 0.000 2.403 60 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.216 60 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.216 60 G C 1.823 176.665 174.900 -0.096 0.000 1.154 60 G CA 0.556 45.597 45.100 -0.098 0.000 0.784 60 G HN 0.162 nan 8.290 nan 0.000 0.538 61 V N 0.803 120.638 119.914 -0.132 0.000 2.343 61 V HA -0.162 3.958 4.120 -0.000 0.000 0.247 61 V C 2.763 178.814 176.094 -0.071 0.000 1.051 61 V CA 2.122 64.361 62.300 -0.103 0.000 1.036 61 V CB -0.398 31.340 31.823 -0.142 0.000 0.654 61 V HN 0.334 nan 8.190 nan 0.000 0.451 62 K N -0.352 119.999 120.400 -0.083 0.000 2.057 62 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 62 K C 2.099 178.681 176.600 -0.030 0.000 1.049 62 K CA 1.388 57.646 56.287 -0.047 0.000 0.931 62 K CB -0.393 32.075 32.500 -0.055 0.000 0.714 62 K HN 0.258 nan 8.250 nan 0.000 0.440 63 L N 2.066 123.265 121.223 -0.041 0.000 2.046 63 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 63 L C 1.803 178.659 176.870 -0.023 0.000 1.077 63 L CA 1.785 56.608 54.840 -0.027 0.000 0.747 63 L CB -0.310 41.728 42.059 -0.035 0.000 0.896 63 L HN 0.154 nan 8.230 nan 0.000 0.432 64 E N -0.637 119.540 120.200 -0.038 0.000 2.031 64 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 64 E C 1.897 178.481 176.600 -0.027 0.000 0.994 64 E CA 1.380 57.750 56.400 -0.050 0.000 0.800 64 E CB -0.193 29.467 29.700 -0.066 0.000 0.752 64 E HN 0.518 nan 8.360 nan 0.000 0.447 65 N N 0.699 119.394 118.700 -0.008 0.000 2.120 65 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 65 N C 1.688 177.232 175.510 0.057 0.000 1.024 65 N CA 0.910 53.977 53.050 0.028 0.000 0.852 65 N CB -0.306 38.198 38.487 0.028 0.000 1.003 65 N HN 0.105 nan 8.380 nan 0.000 0.424 66 R N 0.353 120.875 120.500 0.037 0.000 2.073 66 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 66 R C 1.713 178.049 176.300 0.061 0.000 1.134 66 R CA 1.954 58.079 56.100 0.041 0.000 0.952 66 R CB -0.298 30.016 30.300 0.023 0.000 0.850 66 R HN 0.418 nan 8.270 nan 0.000 0.433 67 T N -3.715 110.874 114.554 0.060 0.000 3.081 67 T HA -0.048 4.302 4.350 -0.000 0.000 0.255 67 T C 0.411 175.205 174.700 0.157 0.000 1.113 67 T CA 0.668 62.819 62.100 0.084 0.000 1.082 67 T CB -0.232 68.669 68.868 0.055 0.000 0.939 67 T HN 0.629 nan 8.240 nan 0.000 0.506 68 H N 0.893 119.974 119.070 0.018 0.000 2.741 68 H HA -0.120 4.436 4.556 -0.000 0.000 0.305 68 H C -0.052 175.295 175.328 0.031 0.000 1.169 68 H CA 0.449 56.514 56.048 0.029 0.000 1.144 68 H CB -1.547 28.245 29.762 0.050 0.000 1.397 68 H HN 0.903 nan 8.280 nan 0.000 0.409 69 A N -0.476 122.300 122.820 -0.074 0.000 2.594 69 A HA 0.686 5.006 4.320 -0.000 0.000 0.291 69 A C -2.760 174.653 177.584 -0.284 0.000 1.105 69 A CA -1.305 50.578 52.037 -0.257 0.000 0.694 69 A CB 1.391 20.349 19.000 -0.071 0.000 1.291 69 A HN 0.123 nan 8.150 nan 0.000 0.410 70 P HA 0.248 nan 4.420 nan 0.000 0.269 70 P C 0.882 178.150 177.300 -0.052 0.000 1.215 70 P CA -0.244 62.747 63.100 -0.181 0.000 0.780 70 P CB 0.699 32.336 31.700 -0.104 0.000 0.898 71 V N 0.245 120.140 119.914 -0.032 0.000 2.427 71 V HA -0.082 4.037 4.120 -0.000 0.000 0.248 71 V C 0.785 176.872 176.094 -0.013 0.000 1.051 71 V CA 2.016 64.301 62.300 -0.024 0.000 1.048 71 V CB -0.806 30.998 31.823 -0.032 0.000 0.666 71 V HN 0.705 nan 8.190 nan 0.000 0.456 72 D N -2.228 118.187 120.400 0.025 0.000 2.798 72 D HA 0.399 5.039 4.640 -0.000 0.000 0.265 72 D C -1.450 174.921 176.300 0.119 0.000 1.223 72 D CA -0.482 53.500 54.000 -0.030 0.000 0.743 72 D CB 1.510 42.276 40.800 -0.057 0.000 1.276 72 D HN 0.046 nan 8.370 nan 0.000 0.421 73 F N -0.925 119.018 119.950 -0.012 0.000 2.744 73 F HA 0.492 5.019 4.527 -0.000 0.000 0.311 73 F C -0.904 174.914 175.800 0.031 0.000 1.144 73 F CA -1.048 56.953 58.000 0.002 0.000 0.938 73 F CB 0.703 39.705 39.000 0.002 0.000 1.292 73 F HN -0.018 nan 8.300 nan 0.000 0.444 74 D N 1.025 121.588 120.400 0.271 0.000 2.382 74 D HA 0.299 4.939 4.640 -0.000 0.000 0.240 74 D C 0.912 177.345 176.300 0.221 0.000 1.146 74 D CA 1.020 55.130 54.000 0.185 0.000 0.897 74 D CB 1.701 42.625 40.800 0.207 0.000 1.197 74 D HN 0.868 nan 8.370 nan 0.000 0.432 75 T N -2.226 112.393 114.554 0.109 0.000 2.993 75 T HA 0.357 4.707 4.350 -0.000 0.000 0.260 75 T C 0.870 175.616 174.700 0.077 0.000 0.939 75 T CA 0.069 62.235 62.100 0.111 0.000 0.886 75 T CB 0.466 69.361 68.868 0.044 0.000 1.209 75 T HN 0.308 nan 8.240 nan 0.000 0.518 76 A N 0.598 123.453 122.820 0.059 0.000 2.551 76 A HA 0.720 5.040 4.320 -0.000 0.000 0.252 76 A C 0.131 177.740 177.584 0.040 0.000 1.199 76 A CA -0.097 51.967 52.037 0.045 0.000 0.972 76 A CB 0.776 19.793 19.000 0.027 0.000 1.153 76 A HN 0.321 nan 8.150 nan 0.000 0.559 77 V N 1.360 121.300 119.914 0.043 0.000 2.417 77 V HA 0.628 4.748 4.120 -0.000 0.000 0.291 77 V C 0.320 176.433 176.094 0.032 0.000 1.024 77 V CA -0.546 61.762 62.300 0.012 0.000 0.861 77 V CB 1.267 33.052 31.823 -0.063 0.000 0.985 77 V HN 0.447 nan 8.190 nan 0.000 0.436 78 A N 3.785 126.623 122.820 0.030 0.000 2.347 78 A HA 0.537 4.857 4.320 -0.000 0.000 0.287 78 A C 0.500 178.115 177.584 0.051 0.000 1.199 78 A CA 0.056 52.093 52.037 -0.002 0.000 0.851 78 A CB 0.435 19.470 19.000 0.058 0.000 1.118 78 A HN 0.781 nan 8.150 nan 0.000 0.525 79 S N 2.138 117.897 115.700 0.098 0.000 2.549 79 S HA 0.566 5.036 4.470 -0.000 0.000 0.279 79 S C 0.618 175.355 174.600 0.228 0.000 1.321 79 S CA 0.440 58.773 58.200 0.220 0.000 1.054 79 S CB 0.078 63.436 63.200 0.264 0.000 0.899 79 S HN 1.303 nan 8.310 nan 0.000 0.497 80 T N 1.698 116.388 114.554 0.226 0.000 2.696 80 T HA 0.470 4.820 4.350 -0.000 0.000 0.291 80 T C 1.294 176.085 174.700 0.152 0.000 1.095 80 T CA -0.831 61.393 62.100 0.206 0.000 1.026 80 T CB 0.139 69.125 68.868 0.196 0.000 1.390 80 T HN 0.391 nan 8.240 nan 0.000 0.513 81 I N 1.136 121.767 120.570 0.101 0.000 2.286 81 I HA -0.092 4.078 4.170 -0.000 0.000 0.248 81 I C 2.490 178.647 176.117 0.067 0.000 1.115 81 I CA 1.943 63.280 61.300 0.061 0.000 1.392 81 I CB -0.296 37.718 38.000 0.023 0.000 1.065 81 I HN 0.949 nan 8.210 nan 0.000 0.418 82 T N -3.454 111.142 114.554 0.069 0.000 3.054 82 T HA 0.109 4.459 4.350 -0.000 0.000 0.255 82 T C 1.714 176.449 174.700 0.058 0.000 1.035 82 T CA 0.305 62.438 62.100 0.055 0.000 0.941 82 T CB -0.046 68.839 68.868 0.027 0.000 1.026 82 T HN 0.338 nan 8.240 nan 0.000 0.533 83 S N 1.090 116.837 115.700 0.079 0.000 2.370 83 S HA -0.096 4.374 4.470 -0.000 0.000 0.226 83 S C 0.591 175.119 174.600 -0.120 0.000 1.033 83 S CA 0.541 58.732 58.200 -0.015 0.000 1.011 83 S CB -0.797 62.384 63.200 -0.032 0.000 0.852 83 S HN 0.734 nan 8.310 nan 0.000 0.457 84 H N 1.589 120.676 119.070 0.030 0.000 2.482 84 H HA 0.578 5.134 4.556 -0.000 0.000 0.344 84 H C -0.244 175.077 175.328 -0.013 0.000 1.151 84 H CA -0.482 55.575 56.048 0.015 0.000 1.300 84 H CB 0.432 30.209 29.762 0.025 0.000 1.494 84 H HN 0.214 nan 8.280 nan 0.000 0.542 85 D N 0.191 120.637 120.400 0.076 0.000 2.411 85 D HA 0.310 4.950 4.640 -0.000 0.000 0.251 85 D C 0.163 176.387 176.300 -0.127 0.000 1.201 85 D CA -0.462 53.518 54.000 -0.033 0.000 0.996 85 D CB 0.666 41.448 40.800 -0.030 0.000 1.101 85 D HN 0.666 nan 8.370 nan 0.000 0.504 86 A N -0.120 122.480 122.820 -0.367 0.000 2.511 86 A HA 0.517 4.837 4.320 -0.000 0.000 0.242 86 A C 0.524 177.818 177.584 -0.483 0.000 1.069 86 A CA 0.294 51.813 52.037 -0.864 0.000 0.763 86 A CB 0.096 18.400 19.000 -1.161 0.000 1.001 86 A HN 0.469 nan 8.150 nan 0.000 0.498 87 G N 0.244 108.777 108.800 -0.445 0.000 2.524 87 G HA2 0.634 4.594 3.960 -0.000 0.000 0.310 87 G HA3 0.634 4.594 3.960 -0.000 0.000 0.310 87 G C -1.296 173.369 174.900 -0.391 0.000 1.279 87 G CA -0.409 44.548 45.100 -0.238 0.000 0.974 87 G HN 0.600 nan 8.290 nan 0.000 0.484 88 Y N -0.199 120.180 120.300 0.131 0.000 2.615 88 Y HA 0.442 4.992 4.550 -0.000 0.000 0.341 88 Y C 0.989 176.933 175.900 0.073 0.000 1.089 88 Y CA -0.976 57.201 58.100 0.129 0.000 1.049 88 Y CB 2.063 40.598 38.460 0.124 0.000 1.296 88 Y HN 0.345 nan 8.280 nan 0.000 0.470 89 I N 0.393 121.106 120.570 0.239 0.000 2.556 89 I HA 0.039 4.209 4.170 -0.000 0.000 0.251 89 I C 0.117 176.302 176.117 0.113 0.000 1.105 89 I CA 0.905 62.278 61.300 0.123 0.000 1.436 89 I CB 0.330 38.373 38.000 0.072 0.000 1.139 89 I HN 0.503 nan 8.210 nan 0.000 0.438 90 N N 0.625 119.402 118.700 0.128 0.000 3.049 90 N HA 0.042 4.782 4.740 -0.000 0.000 0.241 90 N C 0.170 175.700 175.510 0.034 0.000 1.323 90 N CA -0.146 52.942 53.050 0.064 0.000 0.824 90 N CB 1.043 39.552 38.487 0.038 0.000 1.557 90 N HN -0.027 nan 8.380 nan 0.000 0.612 91 K N 1.459 121.804 120.400 -0.093 0.000 2.113 91 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 91 K C 0.795 177.331 176.600 -0.106 0.000 1.047 91 K CA 1.775 57.885 56.287 -0.295 0.000 0.928 91 K CB 0.365 32.429 32.500 -0.727 0.000 0.716 91 K HN 0.396 nan 8.250 nan 0.000 0.446 92 Q N 0.091 119.856 119.800 -0.059 0.000 2.291 92 Q HA -0.024 4.316 4.340 -0.000 0.000 0.205 92 Q C 1.586 177.606 176.000 0.033 0.000 0.970 92 Q CA 0.960 56.756 55.803 -0.013 0.000 0.876 92 Q CB 0.174 28.906 28.738 -0.010 0.000 0.935 92 Q HN 0.373 nan 8.270 nan 0.000 0.455 93 L N -0.696 120.560 121.223 0.054 0.000 2.537 93 L HA 0.186 4.526 4.340 -0.000 0.000 0.224 93 L C 0.051 177.032 176.870 0.186 0.000 1.065 93 L CA -0.094 54.807 54.840 0.101 0.000 0.860 93 L CB 0.207 42.314 42.059 0.079 0.000 1.086 93 L HN 0.060 nan 8.230 nan 0.000 0.482 94 E N 1.420 121.717 120.200 0.162 0.000 2.324 94 E HA 0.014 4.364 4.350 -0.000 0.000 0.271 94 E C 0.355 177.138 176.600 0.306 0.000 1.028 94 E CA -0.249 56.294 56.400 0.237 0.000 0.890 94 E CB 0.904 30.718 29.700 0.191 0.000 1.004 94 E HN 0.028 nan 8.360 nan 0.000 0.431 95 K N 1.872 122.542 120.400 0.450 0.000 2.262 95 K HA 0.129 4.449 4.320 -0.000 0.000 0.200 95 K C 0.434 177.117 176.600 0.138 0.000 1.049 95 K CA 0.632 57.018 56.287 0.165 0.000 0.979 95 K CB 0.536 32.960 32.500 -0.127 0.000 0.773 95 K HN 0.425 nan 8.250 nan 0.000 0.474 96 I N 2.067 122.719 120.570 0.137 0.000 2.447 96 I HA 0.183 4.353 4.170 -0.000 0.000 0.287 96 I C 0.039 176.125 176.117 -0.052 0.000 1.023 96 I CA -1.385 59.894 61.300 -0.036 0.000 1.083 96 I CB 1.491 39.403 38.000 -0.147 0.000 1.245 96 I HN -0.284 nan 8.210 nan 0.000 0.434 97 V N 2.306 122.174 119.914 -0.076 0.000 3.096 97 V HA 1.117 5.237 4.120 -0.000 0.000 0.319 97 V C 0.120 176.098 176.094 -0.192 0.000 1.103 97 V CA -0.649 61.655 62.300 0.006 0.000 1.016 97 V CB 1.698 33.730 31.823 0.348 0.000 1.090 97 V HN 1.133 nan 8.190 nan 0.000 0.449 98 G N 1.470 110.160 108.800 -0.184 0.000 3.162 98 G HA2 0.256 4.216 3.960 -0.000 0.000 0.599 98 G HA3 0.256 4.216 3.960 -0.000 0.000 0.599 98 G C -1.611 173.357 174.900 0.114 0.000 1.335 98 G CA -0.518 44.454 45.100 -0.212 0.000 1.091 98 G HN 1.037 nan 8.290 nan 0.000 0.570 99 L N 1.991 123.285 121.223 0.119 0.000 2.371 99 L HA 0.463 4.803 4.340 -0.000 0.000 0.262 99 L C 1.651 178.536 176.870 0.025 0.000 1.006 99 L CA -1.057 53.831 54.840 0.081 0.000 0.818 99 L CB 2.071 44.162 42.059 0.052 0.000 1.354 99 L HN 0.704 nan 8.230 nan 0.000 0.415 100 Q N -0.022 119.741 119.800 -0.062 0.000 2.061 100 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 100 Q C 0.749 176.581 176.000 -0.280 0.000 0.984 100 Q CA 2.181 57.893 55.803 -0.151 0.000 0.846 100 Q CB 0.011 28.624 28.738 -0.208 0.000 0.902 100 Q HN 0.863 nan 8.270 nan 0.000 0.421 101 T N -2.124 112.258 114.554 -0.286 0.000 2.797 101 T HA 0.122 4.472 4.350 -0.000 0.000 0.267 101 T C 0.810 175.457 174.700 -0.089 0.000 0.986 101 T CA -0.511 61.332 62.100 -0.428 0.000 0.999 101 T CB 0.729 69.407 68.868 -0.317 0.000 1.508 101 T HN 0.168 nan 8.240 nan 0.000 0.595 102 E N 0.235 120.454 120.200 0.032 0.000 2.489 102 E HA 0.299 4.649 4.350 -0.000 0.000 0.193 102 E C 0.297 176.912 176.600 0.025 0.000 1.057 102 E CA -0.211 56.215 56.400 0.044 0.000 0.866 102 E CB -0.168 29.581 29.700 0.081 0.000 0.916 102 E HN 0.761 nan 8.360 nan 0.000 0.500 103 A N 1.372 124.199 122.820 0.012 0.000 2.515 103 A HA 0.590 4.910 4.320 -0.000 0.000 0.298 103 A C -2.882 174.703 177.584 0.002 0.000 1.059 103 A CA -1.825 50.221 52.037 0.016 0.000 0.698 103 A CB 1.396 20.407 19.000 0.017 0.000 1.289 103 A HN -0.098 nan 8.150 nan 0.000 0.404 104 P HA 0.302 nan 4.420 nan 0.000 0.263 104 P C 0.389 177.680 177.300 -0.016 0.000 1.195 104 P CA 0.526 63.627 63.100 0.002 0.000 0.762 104 P CB 0.141 31.847 31.700 0.010 0.000 0.799 105 L N -0.519 120.687 121.223 -0.029 0.000 5.051 105 L HA -0.286 4.054 4.340 -0.000 0.000 0.432 105 L C 0.764 177.611 176.870 -0.037 0.000 1.055 105 L CA 0.716 55.531 54.840 -0.042 0.000 1.095 105 L CB -1.281 40.754 42.059 -0.040 0.000 1.957 105 L HN 0.460 nan 8.230 nan 0.000 0.727 106 K N 2.144 122.527 120.400 -0.028 0.000 2.349 106 K HA 0.313 4.633 4.320 -0.000 0.000 0.288 106 K C 0.414 177.009 176.600 -0.009 0.000 1.058 106 K CA -0.367 55.920 56.287 -0.001 0.000 0.953 106 K CB 0.576 33.077 32.500 0.003 0.000 0.997 106 K HN 0.124 nan 8.250 nan 0.000 0.477 107 R N 2.253 122.785 120.500 0.053 0.000 2.490 107 R HA 0.308 4.648 4.340 -0.000 0.000 0.278 107 R C -0.096 176.259 176.300 0.093 0.000 1.069 107 R CA -0.588 55.531 56.100 0.031 0.000 1.080 107 R CB 1.255 31.564 30.300 0.014 0.000 1.030 107 R HN 0.614 nan 8.270 nan 0.000 0.491 108 A N 2.912 125.758 122.820 0.044 0.000 2.248 108 A HA 0.561 4.881 4.320 -0.000 0.000 0.316 108 A C -0.403 177.247 177.584 0.111 0.000 1.101 108 A CA -0.763 51.332 52.037 0.096 0.000 0.875 108 A CB 0.735 19.765 19.000 0.051 0.000 1.207 108 A HN 0.570 nan 8.150 nan 0.000 0.504 109 L N 1.247 122.536 121.223 0.109 0.000 2.287 109 L HA 0.371 4.711 4.340 -0.000 0.000 0.287 109 L C -0.923 175.931 176.870 -0.027 0.000 1.022 109 L CA -0.334 54.523 54.840 0.027 0.000 0.814 109 L CB 1.174 43.239 42.059 0.010 0.000 1.217 109 L HN 0.483 nan 8.230 nan 0.000 0.420 110 I N 5.733 126.265 120.570 -0.062 0.000 2.557 110 I HA 0.197 4.367 4.170 -0.000 0.000 0.277 110 I C -1.319 174.659 176.117 -0.231 0.000 1.106 110 I CA -1.505 59.750 61.300 -0.075 0.000 1.180 110 I CB 0.767 38.776 38.000 0.016 0.000 1.392 110 I HN 0.393 nan 8.210 nan 0.000 0.506 111 P HA -0.118 nan 4.420 nan 0.000 0.223 111 P C 1.564 178.433 177.300 -0.718 0.000 1.151 111 P CA 1.154 63.729 63.100 -0.876 0.000 0.787 111 P CB 0.149 30.742 31.700 -1.845 0.000 0.788 112 F N 0.884 120.638 119.950 -0.327 0.000 2.307 112 F HA -0.057 4.470 4.527 -0.000 0.000 0.301 112 F C 2.597 178.366 175.800 -0.052 0.000 1.076 112 F CA 1.303 59.255 58.000 -0.080 0.000 1.383 112 F CB -1.201 37.806 39.000 0.012 0.000 1.055 112 F HN 0.009 nan 8.300 nan 0.000 0.526 113 G N -0.659 108.172 108.800 0.051 0.000 2.623 113 G HA2 0.379 4.339 3.960 -0.000 0.000 0.214 113 G HA3 0.379 4.339 3.960 -0.000 0.000 0.214 113 G C 0.527 175.449 174.900 0.037 0.000 1.138 113 G CA 0.586 45.709 45.100 0.038 0.000 0.794 113 G HN 0.591 nan 8.290 nan 0.000 0.535 114 G N -1.099 107.680 108.800 -0.035 0.000 2.277 114 G HA2 0.165 4.125 3.960 -0.000 0.000 0.272 114 G HA3 0.165 4.125 3.960 -0.000 0.000 0.272 114 G C -0.115 174.736 174.900 -0.081 0.000 1.692 114 G CA -0.334 44.739 45.100 -0.044 0.000 0.926 114 G HN 0.201 nan 8.290 nan 0.000 0.720 115 I N 0.853 121.385 120.570 -0.063 0.000 2.852 115 I HA 0.205 4.375 4.170 -0.000 0.000 0.264 115 I C 2.390 178.476 176.117 -0.051 0.000 1.179 115 I CA 1.151 62.415 61.300 -0.060 0.000 1.480 115 I CB -0.095 37.902 38.000 -0.004 0.000 1.111 115 I HN 0.601 nan 8.210 nan 0.000 0.441 116 K N -0.353 120.013 120.400 -0.056 0.000 2.103 116 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 116 K C 1.926 178.499 176.600 -0.046 0.000 1.048 116 K CA 1.794 58.045 56.287 -0.060 0.000 0.930 116 K CB -0.246 32.199 32.500 -0.092 0.000 0.716 116 K HN 0.239 nan 8.250 nan 0.000 0.444 117 M N 0.370 119.951 119.600 -0.033 0.000 2.175 117 M HA -0.090 4.390 4.480 -0.000 0.000 0.264 117 M C 1.959 178.237 176.300 -0.037 0.000 1.063 117 M CA 1.437 56.729 55.300 -0.014 0.000 1.119 117 M CB -0.218 32.394 32.600 0.020 0.000 1.377 117 M HN 0.079 nan 8.290 nan 0.000 0.415 118 I N -0.381 120.160 120.570 -0.048 0.000 2.315 118 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 118 I C 2.239 178.341 176.117 -0.026 0.000 1.117 118 I CA 1.230 62.500 61.300 -0.049 0.000 1.404 118 I CB -0.386 37.580 38.000 -0.056 0.000 1.071 118 I HN 0.367 nan 8.210 nan 0.000 0.419 119 E N 0.681 120.867 120.200 -0.023 0.000 2.077 119 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 119 E C 2.310 178.892 176.600 -0.029 0.000 0.989 119 E CA 1.216 57.609 56.400 -0.013 0.000 0.800 119 E CB -0.320 29.368 29.700 -0.021 0.000 0.746 119 E HN 0.588 nan 8.360 nan 0.000 0.452 120 G N 0.678 109.449 108.800 -0.047 0.000 2.418 120 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 120 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 120 G C 1.717 176.536 174.900 -0.134 0.000 1.158 120 G CA 0.919 45.976 45.100 -0.072 0.000 0.771 120 G HN 0.152 nan 8.290 nan 0.000 0.545 121 S N -0.336 115.284 115.700 -0.132 0.000 2.356 121 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 121 S C 2.470 176.979 174.600 -0.151 0.000 1.032 121 S CA 1.167 59.236 58.200 -0.219 0.000 1.005 121 S CB -0.551 62.563 63.200 -0.143 0.000 0.867 121 S HN 0.518 nan 8.310 nan 0.000 0.449 122 C N 1.883 121.195 119.300 0.021 0.000 2.413 122 C HA -0.073 4.387 4.460 -0.000 0.000 0.276 122 C C 2.631 177.690 174.990 0.115 0.000 1.236 122 C CA 0.746 59.889 59.018 0.209 0.000 1.735 122 C CB -0.983 26.864 27.740 0.180 0.000 2.031 122 C HN 0.584 nan 8.230 nan 0.000 0.474 123 K N 0.761 121.163 120.400 0.004 0.000 2.103 123 K HA -0.036 4.284 4.320 -0.000 0.000 0.204 123 K C 2.222 178.779 176.600 -0.073 0.000 1.052 123 K CA 1.359 57.636 56.287 -0.017 0.000 0.945 123 K CB -0.302 32.181 32.500 -0.028 0.000 0.722 123 K HN 0.481 nan 8.250 nan 0.000 0.443 124 A N 0.634 123.320 122.820 -0.224 0.000 1.930 124 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 124 A C 1.353 178.743 177.584 -0.324 0.000 1.175 124 A CA 1.121 52.931 52.037 -0.378 0.000 0.627 124 A CB -0.516 18.071 19.000 -0.689 0.000 0.815 124 A HN 0.366 nan 8.150 nan 0.000 0.443 125 Y N -1.584 118.797 120.300 0.135 0.000 2.524 125 Y HA 0.220 4.770 4.550 -0.000 0.000 0.266 125 Y C 0.741 176.750 175.900 0.181 0.000 1.180 125 Y CA -0.049 58.169 58.100 0.197 0.000 1.244 125 Y CB 0.004 38.666 38.460 0.335 0.000 1.125 125 Y HN 0.421 nan 8.280 nan 0.000 0.524 126 N N 1.977 120.799 118.700 0.203 0.000 2.708 126 N HA -0.206 4.534 4.740 -0.000 0.000 0.255 126 N C -1.242 174.337 175.510 0.116 0.000 1.046 126 N CA 0.299 53.427 53.050 0.130 0.000 0.715 126 N CB -0.472 38.077 38.487 0.102 0.000 0.895 126 N HN 0.227 nan 8.380 nan 0.000 0.545 127 R N 0.659 121.247 120.500 0.147 0.000 2.725 127 R HA 0.332 4.671 4.340 -0.000 0.000 0.277 127 R C -0.615 175.738 176.300 0.088 0.000 0.987 127 R CA -0.645 55.498 56.100 0.073 0.000 0.901 127 R CB 1.207 31.507 30.300 -0.001 0.000 1.207 127 R HN 0.360 nan 8.270 nan 0.000 0.463 128 E N 2.207 122.431 120.200 0.041 0.000 2.115 128 E HA 0.146 4.496 4.350 -0.000 0.000 0.282 128 E C -0.368 176.264 176.600 0.055 0.000 0.987 128 E CA -0.776 55.650 56.400 0.043 0.000 0.797 128 E CB 1.397 31.109 29.700 0.020 0.000 1.086 128 E HN 0.127 nan 8.360 nan 0.000 0.397 129 L N 3.691 124.955 121.223 0.069 0.000 2.410 129 L HA 0.038 4.378 4.340 -0.000 0.000 0.273 129 L C 0.264 177.161 176.870 0.046 0.000 1.152 129 L CA 0.271 55.154 54.840 0.072 0.000 0.855 129 L CB 0.581 42.679 42.059 0.065 0.000 1.129 129 L HN 0.489 nan 8.230 nan 0.000 0.463 130 D N 7.086 127.514 120.400 0.047 0.000 2.450 130 D HA 0.027 4.667 4.640 -0.000 0.000 0.247 130 D C -1.706 174.612 176.300 0.031 0.000 1.162 130 D CA -1.024 52.996 54.000 0.035 0.000 0.879 130 D CB 1.547 42.370 40.800 0.037 0.000 1.163 130 D HN 0.480 nan 8.370 nan 0.000 0.472 131 P HA -0.198 nan 4.420 nan 0.000 0.216 131 P C 1.521 178.823 177.300 0.004 0.000 1.150 131 P CA 0.866 63.971 63.100 0.008 0.000 0.837 131 P CB 0.147 31.849 31.700 0.002 0.000 0.786 132 M N -0.475 119.134 119.600 0.014 0.000 2.117 132 M HA -0.094 4.386 4.480 -0.000 0.000 0.262 132 M C 1.920 178.235 176.300 0.024 0.000 1.065 132 M CA 1.621 56.930 55.300 0.014 0.000 1.114 132 M CB -1.024 31.592 32.600 0.026 0.000 1.361 132 M HN -0.260 nan 8.290 nan 0.000 0.408 133 I N 0.058 120.667 120.570 0.065 0.000 2.226 133 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 133 I C 2.303 178.516 176.117 0.162 0.000 1.100 133 I CA 1.537 62.928 61.300 0.151 0.000 1.374 133 I CB -1.495 36.587 38.000 0.136 0.000 1.057 133 I HN 0.446 nan 8.210 nan 0.000 0.413 134 K N 1.302 121.744 120.400 0.070 0.000 2.057 134 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 134 K C 2.241 178.821 176.600 -0.033 0.000 1.049 134 K CA 1.639 57.946 56.287 0.034 0.000 0.931 134 K CB -0.022 32.481 32.500 0.004 0.000 0.714 134 K HN 0.122 nan 8.250 nan 0.000 0.440 135 K N 0.735 121.080 120.400 -0.091 0.000 2.026 135 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 135 K C 2.080 178.434 176.600 -0.410 0.000 1.048 135 K CA 1.647 57.798 56.287 -0.226 0.000 0.929 135 K CB -0.135 32.246 32.500 -0.199 0.000 0.713 135 K HN 0.156 nan 8.250 nan 0.000 0.439 136 I N 0.199 120.566 120.570 -0.338 0.000 2.163 136 I HA -0.264 3.906 4.170 -0.000 0.000 0.243 136 I C 1.288 177.051 176.117 -0.590 0.000 1.085 136 I CA 1.393 62.406 61.300 -0.478 0.000 1.347 136 I CB -0.184 37.495 38.000 -0.536 0.000 1.044 136 I HN 0.093 nan 8.210 nan 0.000 0.408 137 F N 0.268 120.138 119.950 -0.133 0.000 2.676 137 F HA 0.037 4.564 4.527 -0.000 0.000 0.300 137 F C 1.807 177.527 175.800 -0.133 0.000 1.160 137 F CA 0.428 58.353 58.000 -0.124 0.000 1.401 137 F CB -0.388 38.529 39.000 -0.139 0.000 1.037 137 F HN 0.131 nan 8.300 nan 0.000 0.522 138 T N -5.547 108.952 114.554 -0.092 0.000 3.010 138 T HA 0.168 4.518 4.350 -0.000 0.000 0.253 138 T C 1.296 175.905 174.700 -0.153 0.000 0.939 138 T CA 0.035 62.074 62.100 -0.101 0.000 0.910 138 T CB 0.121 68.930 68.868 -0.098 0.000 1.226 138 T HN 0.210 nan 8.240 nan 0.000 0.508 139 E N -0.522 119.510 120.200 -0.281 0.000 2.391 139 E HA 0.219 4.569 4.350 -0.000 0.000 0.206 139 E C 0.992 177.521 176.600 -0.119 0.000 0.851 139 E CA 0.159 56.391 56.400 -0.280 0.000 1.059 139 E CB 0.395 29.816 29.700 -0.465 0.000 1.065 139 E HN 0.397 nan 8.360 nan 0.000 0.512 140 Y N 0.471 120.704 120.300 -0.112 0.000 2.353 140 Y HA 0.240 4.789 4.550 -0.000 0.000 0.294 140 Y C 1.197 177.041 175.900 -0.094 0.000 1.135 140 Y CA 0.141 58.175 58.100 -0.111 0.000 1.176 140 Y CB 0.076 38.443 38.460 -0.154 0.000 1.124 140 Y HN -0.183 nan 8.280 nan 0.000 0.537 141 R N 2.048 122.546 120.500 -0.003 0.000 2.272 141 R HA 0.255 4.595 4.340 -0.000 0.000 0.323 141 R C -0.742 175.592 176.300 0.057 0.000 1.002 141 R CA -0.644 55.485 56.100 0.049 0.000 0.900 141 R CB 0.269 30.586 30.300 0.028 0.000 1.151 141 R HN -0.000 nan 8.270 nan 0.000 0.507 142 K N 2.334 122.721 120.400 -0.021 0.000 2.436 142 K HA 0.091 4.410 4.320 -0.000 0.000 0.275 142 K C -0.312 176.088 176.600 -0.335 0.000 0.999 142 K CA 0.293 56.436 56.287 -0.240 0.000 0.980 142 K CB 0.508 32.748 32.500 -0.432 0.000 0.919 142 K HN 0.809 nan 8.250 nan 0.000 0.484 143 T N -0.308 114.067 114.554 -0.298 0.000 2.937 143 T HA 0.097 4.447 4.350 -0.000 0.000 0.283 143 T C 1.104 175.685 174.700 -0.200 0.000 1.012 143 T CA -0.477 61.540 62.100 -0.139 0.000 0.997 143 T CB 1.192 70.049 68.868 -0.017 0.000 1.136 143 T HN 0.787 nan 8.240 nan 0.000 0.551 144 H N 0.819 119.853 119.070 -0.060 0.000 2.319 144 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 144 H C 2.132 177.435 175.328 -0.042 0.000 1.092 144 H CA 2.544 58.582 56.048 -0.017 0.000 1.302 144 H CB -0.353 29.303 29.762 -0.176 0.000 1.373 144 H HN 0.719 nan 8.280 nan 0.000 0.497 145 N N 0.089 118.683 118.700 -0.177 0.000 2.094 145 N HA -0.211 4.529 4.740 -0.000 0.000 0.191 145 N C 1.752 177.226 175.510 -0.061 0.000 1.023 145 N CA 1.848 54.816 53.050 -0.138 0.000 0.857 145 N CB -0.052 38.417 38.487 -0.030 0.000 1.013 145 N HN 0.628 nan 8.380 nan 0.000 0.426 146 Q N -0.510 119.228 119.800 -0.104 0.000 2.172 146 Q HA -0.011 4.329 4.340 -0.000 0.000 0.200 146 Q C 2.173 178.117 176.000 -0.094 0.000 0.964 146 Q CA 1.195 56.946 55.803 -0.086 0.000 0.855 146 Q CB -0.185 28.476 28.738 -0.129 0.000 0.918 146 Q HN 0.443 nan 8.270 nan 0.000 0.444 147 G N 0.329 109.042 108.800 -0.145 0.000 2.402 147 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 147 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 147 G C 1.508 176.340 174.900 -0.113 0.000 1.162 147 G CA 0.711 45.799 45.100 -0.019 0.000 0.777 147 G HN 0.173 nan 8.290 nan 0.000 0.539 148 V N 0.353 120.089 119.914 -0.296 0.000 2.237 148 V HA -0.099 4.020 4.120 -0.000 0.000 0.245 148 V C 2.437 178.096 176.094 -0.725 0.000 1.046 148 V CA 1.528 63.469 62.300 -0.597 0.000 1.007 148 V CB -0.705 30.597 31.823 -0.868 0.000 0.638 148 V HN 0.316 nan 8.190 nan 0.000 0.445 149 F N 0.353 120.025 119.950 -0.463 0.000 2.494 149 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 149 F C 2.047 177.781 175.800 -0.109 0.000 1.106 149 F CA 1.317 59.168 58.000 -0.247 0.000 1.452 149 F CB -0.378 38.551 39.000 -0.117 0.000 1.085 149 F HN 0.214 nan 8.300 nan 0.000 0.569 150 D N -0.910 119.486 120.400 -0.006 0.000 2.289 150 D HA -0.032 4.608 4.640 -0.000 0.000 0.207 150 D C 2.130 178.421 176.300 -0.015 0.000 0.966 150 D CA 0.809 54.815 54.000 0.009 0.000 0.868 150 D CB 0.169 40.968 40.800 -0.000 0.000 0.943 150 D HN 0.100 nan 8.370 nan 0.000 0.514 151 V N 0.087 119.954 119.914 -0.078 0.000 3.661 151 V HA 0.028 4.147 4.120 -0.000 0.000 0.271 151 V C 0.348 176.446 176.094 0.007 0.000 1.315 151 V CA -0.275 61.985 62.300 -0.067 0.000 1.072 151 V CB -0.189 31.557 31.823 -0.129 0.000 0.830 151 V HN 0.058 nan 8.190 nan 0.000 0.443 152 Y N 2.791 123.006 120.300 -0.141 0.000 2.652 152 Y HA 0.205 4.755 4.550 -0.000 0.000 0.344 152 Y C 1.356 177.208 175.900 -0.080 0.000 1.254 152 Y CA 0.080 58.084 58.100 -0.161 0.000 1.480 152 Y CB 0.257 38.554 38.460 -0.271 0.000 1.345 152 Y HN 0.304 nan 8.280 nan 0.000 0.617 153 T N 1.381 115.969 114.554 0.058 0.000 2.934 153 T HA 0.313 4.663 4.350 -0.000 0.000 0.283 153 T C -1.851 172.846 174.700 -0.005 0.000 1.005 153 T CA -1.967 60.143 62.100 0.017 0.000 1.041 153 T CB 1.908 70.773 68.868 -0.004 0.000 1.042 153 T HN 0.383 nan 8.240 nan 0.000 0.505 154 P HA -0.001 nan 4.420 nan 0.000 0.223 154 P C 0.344 177.657 177.300 0.022 0.000 1.151 154 P CA 0.868 63.986 63.100 0.029 0.000 0.787 154 P CB 0.042 31.767 31.700 0.041 0.000 0.788 155 D N 0.189 120.603 120.400 0.024 0.000 2.117 155 D HA -0.086 4.554 4.640 -0.000 0.000 0.198 155 D C 2.088 178.392 176.300 0.006 0.000 0.982 155 D CA 0.913 54.951 54.000 0.064 0.000 0.828 155 D CB -0.736 40.121 40.800 0.095 0.000 0.967 155 D HN 0.171 nan 8.370 nan 0.000 0.464 156 I N 0.361 120.859 120.570 -0.120 0.000 2.226 156 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 156 I C 2.087 178.042 176.117 -0.270 0.000 1.100 156 I CA 0.748 61.877 61.300 -0.285 0.000 1.374 156 I CB -0.127 37.532 38.000 -0.570 0.000 1.057 156 I HN 0.044 nan 8.210 nan 0.000 0.413 157 L N 0.014 121.124 121.223 -0.189 0.000 2.046 157 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 157 L C 2.759 179.641 176.870 0.019 0.000 1.077 157 L CA 1.383 56.190 54.840 -0.056 0.000 0.747 157 L CB -0.606 41.480 42.059 0.045 0.000 0.896 157 L HN 0.173 nan 8.230 nan 0.000 0.432 158 R N -0.807 119.718 120.500 0.041 0.000 2.081 158 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 158 R C 2.410 178.783 176.300 0.122 0.000 1.131 158 R CA 1.752 57.905 56.100 0.089 0.000 0.960 158 R CB -0.625 29.739 30.300 0.108 0.000 0.856 158 R HN 0.427 nan 8.270 nan 0.000 0.436 159 C N -0.211 119.159 119.300 0.116 0.000 2.425 159 C HA -0.054 4.406 4.460 -0.000 0.000 0.277 159 C C 2.647 177.687 174.990 0.083 0.000 1.280 159 C CA 0.416 59.515 59.018 0.134 0.000 1.744 159 C CB -0.878 26.892 27.740 0.050 0.000 1.989 159 C HN 0.476 nan 8.230 nan 0.000 0.491 160 R N 1.287 121.808 120.500 0.034 0.000 2.073 160 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 160 R C 2.331 178.689 176.300 0.097 0.000 1.134 160 R CA 1.584 57.718 56.100 0.056 0.000 0.952 160 R CB -0.294 30.031 30.300 0.042 0.000 0.850 160 R HN 0.519 nan 8.270 nan 0.000 0.433 161 K N 0.048 120.507 120.400 0.097 0.000 2.103 161 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 161 K C 1.925 178.589 176.600 0.107 0.000 1.052 161 K CA 1.702 58.048 56.287 0.097 0.000 0.945 161 K CB -0.026 32.527 32.500 0.088 0.000 0.722 161 K HN 0.260 nan 8.250 nan 0.000 0.443 162 S N -0.947 114.833 115.700 0.134 0.000 2.461 162 S HA 0.062 4.532 4.470 -0.000 0.000 0.228 162 S C 1.241 175.938 174.600 0.161 0.000 1.005 162 S CA 0.717 59.014 58.200 0.162 0.000 0.942 162 S CB 0.071 63.413 63.200 0.238 0.000 0.776 162 S HN 0.530 nan 8.310 nan 0.000 0.514 163 G N 0.027 108.926 108.800 0.166 0.000 2.140 163 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.211 163 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.211 163 G C 0.431 175.418 174.900 0.145 0.000 1.013 163 G CA 0.251 45.488 45.100 0.228 0.000 0.705 163 G HN 1.030 nan 8.290 nan 0.000 0.508 164 V N -0.707 119.239 119.914 0.053 0.000 3.263 164 V HA 0.593 4.713 4.120 -0.000 0.000 0.248 164 V C 0.916 176.911 176.094 -0.165 0.000 1.145 164 V CA 1.267 63.473 62.300 -0.157 0.000 1.107 164 V CB 0.260 32.032 31.823 -0.086 0.000 0.797 164 V HN 0.423 nan 8.190 nan 0.000 0.467 165 L N 1.359 122.583 121.223 0.001 0.000 2.514 165 L HA 0.492 4.832 4.340 -0.000 0.000 0.257 165 L C -1.049 175.865 176.870 0.073 0.000 1.101 165 L CA 0.003 54.817 54.840 -0.044 0.000 0.911 165 L CB 1.516 43.468 42.059 -0.178 0.000 1.162 165 L HN 0.217 nan 8.230 nan 0.000 0.477 166 T N -0.124 114.542 114.554 0.186 0.000 2.900 166 T HA 0.587 4.936 4.350 -0.000 0.000 0.295 166 T C 0.626 175.311 174.700 -0.025 0.000 1.044 166 T CA 0.185 62.325 62.100 0.067 0.000 0.995 166 T CB 2.081 70.975 68.868 0.042 0.000 1.072 166 T HN 0.685 nan 8.240 nan 0.000 0.473 167 G N 1.163 110.000 108.800 0.062 0.000 2.136 167 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.242 167 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.242 167 G C -0.091 174.997 174.900 0.313 0.000 0.989 167 G CA -0.396 44.791 45.100 0.146 0.000 0.682 167 G HN 0.565 nan 8.290 nan 0.000 0.522 168 L N 1.367 122.720 121.223 0.216 0.000 2.473 168 L HA 0.358 4.698 4.340 -0.000 0.000 0.268 168 L C -0.978 175.954 176.870 0.103 0.000 1.215 168 L CA -1.375 53.566 54.840 0.168 0.000 0.823 168 L CB 0.052 42.187 42.059 0.127 0.000 1.099 168 L HN -0.011 nan 8.230 nan 0.000 0.483 169 P HA 0.012 nan 4.420 nan 0.000 0.237 169 P C -0.716 176.465 177.300 -0.197 0.000 1.701 169 P CA 0.005 62.780 63.100 -0.542 0.000 0.955 169 P CB -0.248 31.339 31.700 -0.188 0.000 1.937 170 D N -0.475 119.863 120.400 -0.103 0.000 2.398 170 D HA 0.160 4.800 4.640 -0.000 0.000 0.210 170 D C 1.127 177.468 176.300 0.067 0.000 1.094 170 D CA -0.245 53.738 54.000 -0.028 0.000 0.839 170 D CB 0.146 40.915 40.800 -0.052 0.000 0.963 170 D HN 0.145 nan 8.370 nan 0.000 0.506 171 A N -0.525 122.336 122.820 0.069 0.000 2.592 171 A HA 0.512 4.832 4.320 -0.000 0.000 0.290 171 A C -0.847 176.909 177.584 0.287 0.000 0.998 171 A CA -0.631 51.525 52.037 0.199 0.000 0.983 171 A CB -0.239 18.936 19.000 0.291 0.000 1.240 171 A HN 0.325 nan 8.150 nan 0.000 0.535 172 Y N -4.636 115.810 120.300 0.243 0.000 2.662 172 Y HA 0.618 5.168 4.550 -0.000 0.000 0.334 172 Y C 0.123 176.123 175.900 0.166 0.000 1.185 172 Y CA -1.280 56.906 58.100 0.143 0.000 1.074 172 Y CB 0.073 38.640 38.460 0.178 0.000 1.330 172 Y HN 0.283 nan 8.280 nan 0.000 0.458 173 G N 1.827 110.758 108.800 0.220 0.000 2.353 173 G HA2 0.285 4.245 3.960 -0.000 0.000 0.239 173 G HA3 0.285 4.245 3.960 -0.000 0.000 0.239 173 G C 0.662 175.694 174.900 0.221 0.000 1.295 173 G CA -0.208 45.019 45.100 0.212 0.000 0.884 173 G HN 1.022 nan 8.290 nan 0.000 0.537 174 R N 2.457 122.997 120.500 0.067 0.000 2.115 174 R HA 0.162 4.502 4.340 -0.000 0.000 0.230 174 R C 1.639 177.975 176.300 0.060 0.000 1.111 174 R CA 0.770 56.911 56.100 0.069 0.000 0.976 174 R CB -0.750 29.453 30.300 -0.162 0.000 0.870 174 R HN 1.206 nan 8.270 nan 0.000 0.445 175 G N 1.430 110.195 108.800 -0.059 0.000 2.566 175 G HA2 -0.392 3.567 3.960 -0.000 0.000 0.280 175 G HA3 -0.392 3.567 3.960 -0.000 0.000 0.280 175 G C -0.127 174.737 174.900 -0.061 0.000 1.225 175 G CA 0.364 45.412 45.100 -0.086 0.000 0.966 175 G HN 0.370 nan 8.290 nan 0.000 0.560 176 R N -1.594 118.839 120.500 -0.110 0.000 3.758 176 R HA -0.177 4.163 4.340 -0.000 0.000 0.299 176 R C 0.138 176.448 176.300 0.016 0.000 1.182 176 R CA 1.694 57.763 56.100 -0.052 0.000 0.809 176 R CB -2.328 27.978 30.300 0.010 0.000 1.249 176 R HN 0.872 nan 8.270 nan 0.000 0.497 177 I N 0.713 121.304 120.570 0.035 0.000 2.498 177 I HA 0.425 4.595 4.170 -0.000 0.000 0.290 177 I C 0.389 176.587 176.117 0.136 0.000 1.032 177 I CA -0.672 60.671 61.300 0.071 0.000 1.073 177 I CB 2.008 40.019 38.000 0.019 0.000 1.251 177 I HN -0.103 nan 8.210 nan 0.000 0.426 178 I N 5.331 125.982 120.570 0.134 0.000 2.437 178 I HA 0.353 4.523 4.170 -0.000 0.000 0.279 178 I C 0.672 176.675 176.117 -0.190 0.000 1.028 178 I CA -0.426 60.907 61.300 0.055 0.000 1.142 178 I CB 1.553 39.554 38.000 0.002 0.000 1.266 178 I HN 0.645 nan 8.210 nan 0.000 0.461 179 G N 3.426 112.046 108.800 -0.300 0.000 2.483 179 G HA2 0.041 4.001 3.960 -0.000 0.000 0.248 179 G HA3 0.041 4.001 3.960 -0.000 0.000 0.248 179 G C -0.238 173.962 174.900 -1.167 0.000 1.248 179 G CA -0.240 44.493 45.100 -0.612 0.000 0.838 179 G HN 0.601 nan 8.290 nan 0.000 0.566 180 D N 1.245 121.161 120.400 -0.807 0.000 2.470 180 D HA 0.081 4.721 4.640 -0.000 0.000 0.226 180 D C 0.688 176.644 176.300 -0.573 0.000 1.196 180 D CA -0.280 53.327 54.000 -0.655 0.000 0.979 180 D CB -0.003 40.537 40.800 -0.433 0.000 1.059 180 D HN 0.438 nan 8.370 nan 0.000 0.515 181 Y N 1.868 122.031 120.300 -0.229 0.000 2.421 181 Y HA -0.087 4.463 4.550 -0.000 0.000 0.292 181 Y C 2.299 178.071 175.900 -0.213 0.000 1.136 181 Y CA 0.374 58.367 58.100 -0.179 0.000 1.255 181 Y CB 0.033 38.369 38.460 -0.207 0.000 0.991 181 Y HN 0.235 nan 8.280 nan 0.000 0.552 182 R N 0.336 120.629 120.500 -0.344 0.000 2.152 182 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 182 R C 2.123 178.214 176.300 -0.348 0.000 1.117 182 R CA 1.111 56.820 56.100 -0.651 0.000 0.981 182 R CB -0.296 29.175 30.300 -1.381 0.000 0.870 182 R HN 0.373 nan 8.270 nan 0.000 0.451 183 R N 0.240 120.644 120.500 -0.160 0.000 2.105 183 R HA -0.116 4.224 4.340 -0.000 0.000 0.239 183 R C 2.204 178.634 176.300 0.218 0.000 1.135 183 R CA 1.415 57.576 56.100 0.100 0.000 0.967 183 R CB -0.400 29.974 30.300 0.123 0.000 0.861 183 R HN 0.076 nan 8.270 nan 0.000 0.442 184 V N 0.840 120.865 119.914 0.184 0.000 2.343 184 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 184 V C 2.438 178.784 176.094 0.419 0.000 1.051 184 V CA 1.990 64.457 62.300 0.278 0.000 1.036 184 V CB -0.720 31.248 31.823 0.241 0.000 0.654 184 V HN 0.408 nan 8.190 nan 0.000 0.451 185 A N -0.546 122.475 122.820 0.334 0.000 1.873 185 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 185 A C 2.290 179.973 177.584 0.165 0.000 1.186 185 A CA 1.753 53.943 52.037 0.256 0.000 0.616 185 A CB -0.537 18.551 19.000 0.146 0.000 0.823 185 A HN 0.438 nan 8.150 nan 0.000 0.442 186 L N -2.009 119.278 121.223 0.107 0.000 1.994 186 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 186 L C 2.375 179.210 176.870 -0.058 0.000 1.071 186 L CA 1.894 56.641 54.840 -0.155 0.000 0.745 186 L CB -0.273 41.405 42.059 -0.635 0.000 0.892 186 L HN 0.613 nan 8.230 nan 0.000 0.431 187 Y N -0.949 119.519 120.300 0.280 0.000 2.507 187 Y HA 0.343 4.893 4.550 -0.000 0.000 0.263 187 Y C 1.205 177.256 175.900 0.252 0.000 1.093 187 Y CA 0.236 58.473 58.100 0.228 0.000 1.285 187 Y CB 0.219 38.734 38.460 0.092 0.000 1.115 187 Y HN 0.258 nan 8.280 nan 0.000 0.533 188 G N 0.695 109.757 108.800 0.438 0.000 2.733 188 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.686 188 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.686 188 G C 0.249 175.335 174.900 0.310 0.000 1.373 188 G CA -0.343 44.994 45.100 0.396 0.000 0.838 188 G HN 0.019 nan 8.290 nan 0.000 0.588 189 I N 0.911 121.598 120.570 0.194 0.000 2.179 189 I HA -0.106 4.064 4.170 -0.000 0.000 0.242 189 I C 2.508 178.695 176.117 0.116 0.000 1.088 189 I CA 2.275 63.644 61.300 0.115 0.000 1.357 189 I CB -1.173 36.836 38.000 0.015 0.000 1.051 189 I HN 0.638 nan 8.210 nan 0.000 0.409 190 D N 0.091 120.565 120.400 0.123 0.000 2.116 190 D HA -0.269 4.371 4.640 -0.000 0.000 0.193 190 D C 2.128 178.513 176.300 0.141 0.000 0.998 190 D CA 1.407 55.470 54.000 0.105 0.000 0.836 190 D CB -0.603 40.260 40.800 0.105 0.000 0.951 190 D HN 0.387 nan 8.370 nan 0.000 0.449 191 Y N 1.050 121.413 120.300 0.104 0.000 2.181 191 Y HA -0.136 4.414 4.550 -0.000 0.000 0.288 191 Y C 2.174 178.112 175.900 0.064 0.000 1.146 191 Y CA 1.260 59.425 58.100 0.107 0.000 1.164 191 Y CB -0.268 38.313 38.460 0.201 0.000 0.982 191 Y HN -0.057 nan 8.280 nan 0.000 0.515 192 L N -0.816 120.573 121.223 0.276 0.000 2.093 192 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 192 L C 2.469 179.364 176.870 0.042 0.000 1.085 192 L CA 1.486 56.416 54.840 0.149 0.000 0.755 192 L CB -0.522 41.636 42.059 0.164 0.000 0.904 192 L HN 0.314 nan 8.230 nan 0.000 0.435 193 M N -0.346 119.260 119.600 0.011 0.000 2.132 193 M HA -0.223 4.257 4.480 -0.000 0.000 0.263 193 M C 2.390 178.740 176.300 0.084 0.000 1.065 193 M CA 1.669 56.947 55.300 -0.037 0.000 1.122 193 M CB -0.269 32.218 32.600 -0.188 0.000 1.365 193 M HN 0.110 nan 8.290 nan 0.000 0.411 194 K N 0.329 120.730 120.400 0.001 0.000 2.097 194 K HA -0.226 4.094 4.320 -0.000 0.000 0.205 194 K C 1.488 178.041 176.600 -0.079 0.000 1.050 194 K CA 1.947 58.209 56.287 -0.041 0.000 0.938 194 K CB -0.057 32.367 32.500 -0.128 0.000 0.718 194 K HN 0.196 nan 8.250 nan 0.000 0.442 195 D N 0.357 120.676 120.400 -0.135 0.000 2.144 195 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 195 D C 1.677 177.976 176.300 -0.001 0.000 0.978 195 D CA 1.120 55.053 54.000 -0.111 0.000 0.833 195 D CB 0.233 40.954 40.800 -0.131 0.000 0.961 195 D HN 0.004 nan 8.370 nan 0.000 0.470 196 K N 0.044 120.479 120.400 0.057 0.000 2.097 196 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 196 K C 2.079 178.755 176.600 0.128 0.000 1.050 196 K CA 0.349 56.706 56.287 0.117 0.000 0.938 196 K CB -0.704 31.898 32.500 0.169 0.000 0.718 196 K HN 0.255 nan 8.250 nan 0.000 0.442 197 L N 1.125 122.413 121.223 0.109 0.000 2.083 197 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 197 L C 2.087 179.014 176.870 0.094 0.000 1.083 197 L CA 1.951 56.808 54.840 0.028 0.000 0.752 197 L CB -0.757 41.286 42.059 -0.027 0.000 0.899 197 L HN 0.123 nan 8.230 nan 0.000 0.433 198 A N -1.176 121.676 122.820 0.053 0.000 1.898 198 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 198 A C 2.181 179.797 177.584 0.053 0.000 1.181 198 A CA 1.644 53.703 52.037 0.037 0.000 0.620 198 A CB -0.524 18.473 19.000 -0.005 0.000 0.819 198 A HN 0.652 nan 8.150 nan 0.000 0.442 199 Q N -1.766 118.074 119.800 0.066 0.000 2.084 199 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 199 Q C 1.915 177.963 176.000 0.081 0.000 0.978 199 Q CA 1.613 57.453 55.803 0.061 0.000 0.844 199 Q CB -0.325 28.454 28.738 0.068 0.000 0.898 199 Q HN 0.759 nan 8.270 nan 0.000 0.426 200 F N 1.344 121.277 119.950 -0.029 0.000 2.102 200 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 200 F C 2.165 177.938 175.800 -0.045 0.000 1.105 200 F CA 1.779 59.753 58.000 -0.043 0.000 1.239 200 F CB -0.388 38.572 39.000 -0.067 0.000 0.991 200 F HN -0.085 nan 8.300 nan 0.000 0.474 201 T N -0.264 114.332 114.554 0.070 0.000 2.881 201 T HA -0.177 4.173 4.350 -0.000 0.000 0.270 201 T C 2.137 176.776 174.700 -0.102 0.000 1.068 201 T CA 1.449 63.525 62.100 -0.040 0.000 1.131 201 T CB -0.651 68.250 68.868 0.056 0.000 0.871 201 T HN 0.482 nan 8.240 nan 0.000 0.479 202 S N 1.146 116.804 115.700 -0.070 0.000 2.507 202 S HA 0.078 4.548 4.470 -0.000 0.000 0.235 202 S C 1.735 176.274 174.600 -0.102 0.000 0.988 202 S CA 0.533 58.692 58.200 -0.067 0.000 0.944 202 S CB -0.587 62.590 63.200 -0.038 0.000 0.762 202 S HN 0.483 nan 8.310 nan 0.000 0.526 203 L N 0.499 121.622 121.223 -0.167 0.000 2.585 203 L HA 0.217 4.557 4.340 -0.000 0.000 0.226 203 L C 2.744 179.494 176.870 -0.201 0.000 1.113 203 L CA 0.297 55.028 54.840 -0.181 0.000 0.876 203 L CB -0.360 41.569 42.059 -0.217 0.000 1.072 203 L HN 0.388 nan 8.230 nan 0.000 0.468 204 Q N 1.100 120.767 119.800 -0.221 0.000 2.061 204 Q HA -0.265 4.075 4.340 -0.000 0.000 0.204 204 Q C 2.330 178.259 176.000 -0.118 0.000 0.984 204 Q CA 2.259 57.951 55.803 -0.186 0.000 0.846 204 Q CB -0.042 28.601 28.738 -0.160 0.000 0.902 204 Q HN 0.505 nan 8.270 nan 0.000 0.421 205 A N 1.189 123.953 122.820 -0.093 0.000 1.873 205 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 205 A C 1.774 179.319 177.584 -0.066 0.000 1.193 205 A CA 2.068 54.065 52.037 -0.067 0.000 0.629 205 A CB -0.974 17.993 19.000 -0.054 0.000 0.826 205 A HN 0.539 nan 8.150 nan 0.000 0.447 206 D N -0.632 119.725 120.400 -0.072 0.000 2.149 206 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 206 D C 1.854 178.112 176.300 -0.069 0.000 0.990 206 D CA 1.372 55.332 54.000 -0.066 0.000 0.839 206 D CB -0.457 40.302 40.800 -0.068 0.000 0.948 206 D HN 0.360 nan 8.370 nan 0.000 0.460 207 L N 1.464 122.635 121.223 -0.088 0.000 1.970 207 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 207 L C 1.891 178.722 176.870 -0.065 0.000 1.071 207 L CA 1.871 56.660 54.840 -0.085 0.000 0.751 207 L CB -0.631 41.358 42.059 -0.116 0.000 0.889 207 L HN -0.034 nan 8.230 nan 0.000 0.432 208 E N -0.461 119.701 120.200 -0.064 0.000 2.110 208 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 208 E C 1.434 178.011 176.600 -0.039 0.000 0.988 208 E CA 1.250 57.621 56.400 -0.048 0.000 0.804 208 E CB -0.240 29.433 29.700 -0.046 0.000 0.745 208 E HN 0.559 nan 8.360 nan 0.000 0.458 209 N N -0.187 118.488 118.700 -0.041 0.000 2.461 209 N HA 0.007 4.747 4.740 -0.000 0.000 0.188 209 N C 0.725 176.216 175.510 -0.032 0.000 1.134 209 N CA 0.902 53.931 53.050 -0.034 0.000 0.878 209 N CB 0.813 39.280 38.487 -0.034 0.000 0.972 209 N HN 0.249 nan 8.380 nan 0.000 0.456 210 G N 0.301 109.080 108.800 -0.036 0.000 2.221 210 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.265 210 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.265 210 G C -0.192 174.689 174.900 -0.033 0.000 1.041 210 G CA 0.137 45.218 45.100 -0.033 0.000 0.807 210 G HN 0.197 nan 8.290 nan 0.000 0.502 211 V N 1.192 121.083 119.914 -0.038 0.000 2.385 211 V HA 0.345 4.465 4.120 -0.000 0.000 0.269 211 V C 0.997 177.067 176.094 -0.041 0.000 1.043 211 V CA -0.275 62.003 62.300 -0.037 0.000 0.906 211 V CB 1.059 32.859 31.823 -0.038 0.000 0.995 211 V HN 0.539 nan 8.190 nan 0.000 0.467 212 N N 2.937 121.615 118.700 -0.037 0.000 2.725 212 N HA -0.211 4.529 4.740 -0.000 0.000 0.251 212 N C 0.774 176.260 175.510 -0.041 0.000 1.031 212 N CA 0.576 53.603 53.050 -0.038 0.000 0.720 212 N CB -0.706 37.755 38.487 -0.043 0.000 0.930 212 N HN 0.621 nan 8.380 nan 0.000 0.543 213 L N 0.916 122.117 121.223 -0.037 0.000 1.997 213 L HA -0.272 4.068 4.340 -0.000 0.000 0.227 213 L C 2.110 178.957 176.870 -0.039 0.000 1.087 213 L CA 2.323 57.140 54.840 -0.038 0.000 0.797 213 L CB -0.429 41.612 42.059 -0.029 0.000 0.902 213 L HN 0.402 nan 8.230 nan 0.000 0.441 214 E N -1.490 118.693 120.200 -0.030 0.000 2.110 214 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 214 E C 2.090 178.665 176.600 -0.041 0.000 0.988 214 E CA 1.344 57.727 56.400 -0.028 0.000 0.804 214 E CB -0.106 29.589 29.700 -0.008 0.000 0.745 214 E HN 0.625 nan 8.360 nan 0.000 0.458 215 Q N -0.148 119.626 119.800 -0.044 0.000 2.119 215 Q HA -0.083 4.257 4.340 -0.000 0.000 0.201 215 Q C 2.121 178.081 176.000 -0.067 0.000 0.972 215 Q CA 1.638 57.407 55.803 -0.057 0.000 0.847 215 Q CB -0.145 28.558 28.738 -0.058 0.000 0.903 215 Q HN 0.147 nan 8.270 nan 0.000 0.433 216 T N 0.563 115.077 114.554 -0.067 0.000 2.812 216 T HA -0.022 4.328 4.350 -0.000 0.000 0.264 216 T C 1.792 176.439 174.700 -0.088 0.000 1.042 216 T CA 0.874 62.925 62.100 -0.081 0.000 1.140 216 T CB -0.164 68.655 68.868 -0.082 0.000 0.870 216 T HN 0.175 nan 8.240 nan 0.000 0.445 217 I N 0.814 121.339 120.570 -0.075 0.000 2.226 217 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 217 I C 2.829 178.903 176.117 -0.073 0.000 1.100 217 I CA 1.207 62.466 61.300 -0.069 0.000 1.374 217 I CB -0.352 37.616 38.000 -0.052 0.000 1.057 217 I HN 0.137 nan 8.210 nan 0.000 0.413 218 R N 0.962 121.413 120.500 -0.082 0.000 2.073 218 R HA -0.221 4.119 4.340 -0.000 0.000 0.234 218 R C 2.371 178.595 176.300 -0.127 0.000 1.134 218 R CA 1.636 57.669 56.100 -0.111 0.000 0.952 218 R CB -0.302 29.934 30.300 -0.108 0.000 0.850 218 R HN 0.196 nan 8.270 nan 0.000 0.433 219 L N 1.392 122.556 121.223 -0.099 0.000 2.083 219 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 219 L C 2.278 179.119 176.870 -0.048 0.000 1.083 219 L CA 1.659 56.450 54.840 -0.082 0.000 0.752 219 L CB -0.407 41.614 42.059 -0.064 0.000 0.899 219 L HN 0.146 nan 8.230 nan 0.000 0.433 220 R N -0.473 119.995 120.500 -0.053 0.000 2.073 220 R HA -0.203 4.137 4.340 -0.000 0.000 0.234 220 R C 2.161 178.544 176.300 0.138 0.000 1.134 220 R CA 1.635 57.741 56.100 0.009 0.000 0.952 220 R CB -0.606 29.622 30.300 -0.121 0.000 0.850 220 R HN 0.555 nan 8.270 nan 0.000 0.433 221 E N 1.259 121.477 120.200 0.029 0.000 2.077 221 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 221 E C 1.686 178.254 176.600 -0.053 0.000 0.989 221 E CA 1.241 57.642 56.400 0.002 0.000 0.800 221 E CB 0.142 29.806 29.700 -0.060 0.000 0.746 221 E HN 0.391 nan 8.360 nan 0.000 0.452 222 E N 0.287 120.393 120.200 -0.156 0.000 2.077 222 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 222 E C 2.212 178.825 176.600 0.021 0.000 0.989 222 E CA 1.255 57.498 56.400 -0.263 0.000 0.800 222 E CB -0.114 29.298 29.700 -0.481 0.000 0.746 222 E HN 0.391 nan 8.360 nan 0.000 0.452 223 I N 1.023 121.641 120.570 0.080 0.000 2.394 223 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 223 I C 2.490 178.685 176.117 0.129 0.000 1.136 223 I CA 0.755 62.146 61.300 0.151 0.000 1.425 223 I CB -0.245 37.879 38.000 0.206 0.000 1.079 223 I HN 0.085 nan 8.210 nan 0.000 0.425 224 A N 0.258 123.132 122.820 0.089 0.000 1.930 224 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 224 A C 2.243 179.845 177.584 0.030 0.000 1.175 224 A CA 1.302 53.315 52.037 -0.041 0.000 0.627 224 A CB -0.328 18.627 19.000 -0.075 0.000 0.815 224 A HN 0.307 nan 8.150 nan 0.000 0.443 225 E N 0.024 120.257 120.200 0.056 0.000 2.106 225 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 225 E C 2.187 178.855 176.600 0.113 0.000 0.984 225 E CA 1.191 57.639 56.400 0.080 0.000 0.806 225 E CB -0.319 29.442 29.700 0.101 0.000 0.750 225 E HN 0.778 nan 8.360 nan 0.000 0.458 226 Q N -0.270 119.619 119.800 0.149 0.000 2.050 226 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 226 Q C 2.307 178.365 176.000 0.097 0.000 0.980 226 Q CA 1.162 57.045 55.803 0.133 0.000 0.840 226 Q CB -0.306 28.524 28.738 0.153 0.000 0.898 226 Q HN 0.416 nan 8.270 nan 0.000 0.424 227 H N 1.197 120.272 119.070 0.009 0.000 2.319 227 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 227 H C 2.180 177.493 175.328 -0.024 0.000 1.092 227 H CA 1.877 57.911 56.048 -0.022 0.000 1.302 227 H CB 0.126 29.840 29.762 -0.079 0.000 1.373 227 H HN 0.119 nan 8.280 nan 0.000 0.497 228 R N 0.393 120.954 120.500 0.101 0.000 2.096 228 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 228 R C 2.463 178.757 176.300 -0.010 0.000 1.127 228 R CA 1.277 57.404 56.100 0.044 0.000 0.968 228 R CB -0.281 30.049 30.300 0.051 0.000 0.861 228 R HN 0.320 nan 8.270 nan 0.000 0.440 229 A N 1.144 123.966 122.820 0.003 0.000 1.933 229 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 229 A C 2.193 179.757 177.584 -0.033 0.000 1.175 229 A CA 1.106 53.141 52.037 -0.004 0.000 0.628 229 A CB -0.488 18.523 19.000 0.018 0.000 0.814 229 A HN 0.355 nan 8.150 nan 0.000 0.444 230 L N -0.670 120.517 121.223 -0.061 0.000 2.079 230 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 230 L C 2.803 179.609 176.870 -0.106 0.000 1.081 230 L CA 1.147 55.938 54.840 -0.083 0.000 0.752 230 L CB -0.758 41.229 42.059 -0.119 0.000 0.896 230 L HN 0.501 nan 8.230 nan 0.000 0.433 231 G N -1.060 107.658 108.800 -0.136 0.000 2.422 231 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 231 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 231 G C 1.499 176.355 174.900 -0.073 0.000 1.146 231 G CA 0.282 45.318 45.100 -0.108 0.000 0.769 231 G HN 0.393 nan 8.290 nan 0.000 0.547 232 Q N -0.560 119.207 119.800 -0.056 0.000 2.224 232 Q HA 0.099 4.439 4.340 -0.000 0.000 0.203 232 Q C 2.621 178.581 176.000 -0.066 0.000 0.970 232 Q CA 0.756 56.533 55.803 -0.042 0.000 0.865 232 Q CB -0.171 28.557 28.738 -0.017 0.000 0.922 232 Q HN 0.475 nan 8.270 nan 0.000 0.445 233 M N 0.244 119.796 119.600 -0.081 0.000 2.117 233 M HA -0.191 4.289 4.480 -0.000 0.000 0.262 233 M C 1.911 178.095 176.300 -0.193 0.000 1.065 233 M CA 1.480 56.707 55.300 -0.122 0.000 1.114 233 M CB -0.178 32.365 32.600 -0.094 0.000 1.361 233 M HN 0.071 nan 8.290 nan 0.000 0.408 234 K N 0.300 120.608 120.400 -0.154 0.000 2.026 234 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 234 K C 1.804 178.315 176.600 -0.149 0.000 1.048 234 K CA 1.441 57.629 56.287 -0.166 0.000 0.929 234 K CB -0.216 32.222 32.500 -0.104 0.000 0.713 234 K HN 0.452 nan 8.250 nan 0.000 0.439 235 E N 0.815 120.954 120.200 -0.101 0.000 2.077 235 E HA -0.197 4.152 4.350 -0.000 0.000 0.193 235 E C 2.040 178.594 176.600 -0.076 0.000 0.989 235 E CA 1.126 57.484 56.400 -0.069 0.000 0.800 235 E CB -0.094 29.582 29.700 -0.041 0.000 0.746 235 E HN 0.273 nan 8.360 nan 0.000 0.452 236 M N 0.783 120.322 119.600 -0.102 0.000 2.086 236 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 236 M C 2.327 178.540 176.300 -0.145 0.000 1.067 236 M CA 1.925 57.174 55.300 -0.084 0.000 1.116 236 M CB -0.123 32.416 32.600 -0.101 0.000 1.348 236 M HN 0.138 nan 8.290 nan 0.000 0.407 237 A N 0.303 122.860 122.820 -0.437 0.000 1.933 237 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 237 A C 2.321 179.811 177.584 -0.158 0.000 1.175 237 A CA 1.859 53.437 52.037 -0.765 0.000 0.628 237 A CB -1.175 17.165 19.000 -1.100 0.000 0.814 237 A HN 0.697 nan 8.150 nan 0.000 0.444 238 A N -0.072 122.691 122.820 -0.096 0.000 1.978 238 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 238 A C 2.032 179.648 177.584 0.053 0.000 1.170 238 A CA 1.807 53.846 52.037 0.004 0.000 0.636 238 A CB -0.442 18.544 19.000 -0.022 0.000 0.810 238 A HN 0.573 nan 8.150 nan 0.000 0.448 239 K N -1.769 118.656 120.400 0.041 0.000 2.209 239 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 239 K C 0.848 177.429 176.600 -0.032 0.000 1.048 239 K CA 1.376 57.653 56.287 -0.016 0.000 0.940 239 K CB -0.224 32.231 32.500 -0.074 0.000 0.729 239 K HN 0.680 nan 8.250 nan 0.000 0.451 240 Y N -0.245 120.150 120.300 0.157 0.000 2.468 240 Y HA 0.143 4.692 4.550 -0.000 0.000 0.268 240 Y C 1.263 177.367 175.900 0.339 0.000 1.177 240 Y CA 0.273 58.584 58.100 0.352 0.000 1.265 240 Y CB 0.888 39.676 38.460 0.547 0.000 1.103 240 Y HN 0.202 nan 8.280 nan 0.000 0.522 241 G N -0.679 108.277 108.800 0.259 0.000 2.136 241 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.242 241 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.242 241 G C -0.448 174.411 174.900 -0.069 0.000 0.989 241 G CA -0.298 44.837 45.100 0.059 0.000 0.682 241 G HN 0.345 nan 8.290 nan 0.000 0.522 242 Y N -0.026 120.365 120.300 0.152 0.000 2.409 242 Y HA 0.597 5.147 4.550 -0.000 0.000 0.339 242 Y C -0.065 175.814 175.900 -0.035 0.000 1.033 242 Y CA -1.107 57.061 58.100 0.113 0.000 1.094 242 Y CB 1.943 40.511 38.460 0.179 0.000 1.210 242 Y HN 0.076 nan 8.280 nan 0.000 0.456 243 D N 3.691 124.190 120.400 0.164 0.000 2.441 243 D HA 0.204 4.844 4.640 -0.000 0.000 0.231 243 D C 0.001 176.318 176.300 0.027 0.000 1.073 243 D CA -0.382 53.660 54.000 0.071 0.000 0.850 243 D CB 0.616 41.489 40.800 0.122 0.000 1.062 243 D HN 0.625 nan 8.370 nan 0.000 0.524 244 I N 1.130 121.569 120.570 -0.218 0.000 3.891 244 I HA 0.155 4.325 4.170 -0.000 0.000 0.331 244 I C 1.229 177.327 176.117 -0.031 0.000 1.406 244 I CA -0.350 60.713 61.300 -0.396 0.000 1.139 244 I CB 0.131 37.546 38.000 -0.975 0.000 1.056 244 I HN 0.138 nan 8.210 nan 0.000 0.399 245 S N 0.825 116.556 115.700 0.051 0.000 2.399 245 S HA 0.063 4.533 4.470 -0.000 0.000 0.231 245 S C 1.215 175.920 174.600 0.174 0.000 1.022 245 S CA 0.567 58.819 58.200 0.087 0.000 0.983 245 S CB -0.786 62.453 63.200 0.066 0.000 0.803 245 S HN 0.592 nan 8.310 nan 0.000 0.480 246 G N 1.529 110.477 108.800 0.247 0.000 2.521 246 G HA2 0.628 4.587 3.960 -0.000 0.000 0.323 246 G HA3 0.628 4.587 3.960 -0.000 0.000 0.323 246 G C -3.212 171.929 174.900 0.402 0.000 1.211 246 G CA -2.196 43.058 45.100 0.258 0.000 0.979 246 G HN 0.174 nan 8.290 nan 0.000 0.490 247 P HA 0.321 nan 4.420 nan 0.000 0.272 247 P C -0.135 177.217 177.300 0.088 0.000 1.230 247 P CA -0.129 63.122 63.100 0.251 0.000 0.788 247 P CB 0.706 32.479 31.700 0.121 0.000 0.949 248 A N 1.369 124.072 122.820 -0.194 0.000 2.488 248 A HA 0.256 4.576 4.320 -0.000 0.000 0.249 248 A C 1.339 178.839 177.584 -0.141 0.000 1.083 248 A CA 0.538 52.184 52.037 -0.653 0.000 0.768 248 A CB -0.690 17.824 19.000 -0.810 0.000 1.017 248 A HN 0.669 nan 8.150 nan 0.000 0.496 249 T N -0.618 113.835 114.554 -0.169 0.000 3.065 249 T HA 0.172 4.522 4.350 -0.000 0.000 0.252 249 T C 0.423 175.153 174.700 0.051 0.000 1.099 249 T CA 0.577 62.675 62.100 -0.003 0.000 1.063 249 T CB -0.547 68.308 68.868 -0.021 0.000 0.948 249 T HN 0.905 nan 8.240 nan 0.000 0.506 250 N N -0.437 118.275 118.700 0.019 0.000 3.243 250 N HA 0.649 5.389 4.740 -0.000 0.000 0.280 250 N C 1.040 176.597 175.510 0.079 0.000 1.545 250 N CA -0.362 52.741 53.050 0.088 0.000 0.854 250 N CB 0.682 39.183 38.487 0.023 0.000 1.612 250 N HN -0.044 nan 8.380 nan 0.000 0.577 251 A N -0.447 122.435 122.820 0.104 0.000 1.865 251 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 251 A C 1.859 179.426 177.584 -0.028 0.000 1.191 251 A CA 1.762 53.842 52.037 0.071 0.000 0.623 251 A CB -1.126 17.920 19.000 0.077 0.000 0.826 251 A HN 0.721 nan 8.150 nan 0.000 0.444 252 Q N -0.512 119.274 119.800 -0.023 0.000 2.061 252 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 252 Q C 2.000 177.963 176.000 -0.062 0.000 0.984 252 Q CA 2.056 57.846 55.803 -0.021 0.000 0.846 252 Q CB -0.189 28.561 28.738 0.020 0.000 0.902 252 Q HN 0.813 nan 8.270 nan 0.000 0.421 253 E N -0.339 119.750 120.200 -0.184 0.000 2.106 253 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 253 E C 1.869 178.175 176.600 -0.490 0.000 0.984 253 E CA 0.728 56.827 56.400 -0.502 0.000 0.806 253 E CB -0.049 29.089 29.700 -0.938 0.000 0.750 253 E HN 0.355 nan 8.360 nan 0.000 0.458 254 A N 1.331 123.888 122.820 -0.438 0.000 1.902 254 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 254 A C 2.165 179.693 177.584 -0.094 0.000 1.181 254 A CA 1.047 52.797 52.037 -0.478 0.000 0.623 254 A CB -0.517 17.871 19.000 -1.020 0.000 0.818 254 A HN 0.117 nan 8.150 nan 0.000 0.443 255 I N -0.998 119.552 120.570 -0.032 0.000 2.202 255 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 255 I C 2.778 178.966 176.117 0.118 0.000 1.091 255 I CA 1.748 63.098 61.300 0.084 0.000 1.368 255 I CB -0.286 37.739 38.000 0.041 0.000 1.058 255 I HN 0.397 nan 8.210 nan 0.000 0.410 256 Q N 0.612 120.458 119.800 0.077 0.000 2.050 256 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 256 Q C 2.094 178.178 176.000 0.140 0.000 0.980 256 Q CA 1.977 57.776 55.803 -0.005 0.000 0.840 256 Q CB -0.389 28.335 28.738 -0.023 0.000 0.898 256 Q HN 0.496 nan 8.270 nan 0.000 0.424 257 W N -0.139 121.143 121.300 -0.029 0.000 2.355 257 W HA -0.188 4.472 4.660 -0.000 0.000 0.309 257 W C 2.024 178.624 176.519 0.134 0.000 1.206 257 W CA 1.288 58.708 57.345 0.125 0.000 1.284 257 W CB -0.298 29.225 29.460 0.106 0.000 1.145 257 W HN 0.221 nan 8.180 nan 0.000 0.502 258 T N -0.299 114.466 114.554 0.352 0.000 2.708 258 T HA -0.299 4.051 4.350 -0.000 0.000 0.266 258 T C 1.329 176.184 174.700 0.258 0.000 1.037 258 T CA 1.718 63.969 62.100 0.251 0.000 1.146 258 T CB -0.853 68.138 68.868 0.205 0.000 0.865 258 T HN 0.138 nan 8.240 nan 0.000 0.435 259 Y N 0.966 121.360 120.300 0.158 0.000 2.224 259 Y HA -0.071 4.479 4.550 -0.000 0.000 0.289 259 Y C 1.861 177.823 175.900 0.103 0.000 1.146 259 Y CA 0.756 58.943 58.100 0.144 0.000 1.182 259 Y CB -0.767 37.676 38.460 -0.028 0.000 0.983 259 Y HN 0.285 nan 8.280 nan 0.000 0.524 260 F N -0.361 119.525 119.950 -0.106 0.000 2.161 260 F HA -0.179 4.348 4.527 -0.000 0.000 0.300 260 F C 2.553 178.229 175.800 -0.207 0.000 1.089 260 F CA 0.652 58.495 58.000 -0.262 0.000 1.282 260 F CB -0.597 38.267 39.000 -0.228 0.000 1.010 260 F HN 0.190 nan 8.300 nan 0.000 0.485 261 G N -1.080 107.796 108.800 0.126 0.000 2.418 261 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.217 261 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.217 261 G C 1.340 176.202 174.900 -0.064 0.000 1.158 261 G CA 0.710 45.903 45.100 0.154 0.000 0.771 261 G HN 0.405 nan 8.290 nan 0.000 0.545 262 Y N 0.611 120.573 120.300 -0.564 0.000 2.242 262 Y HA 0.034 4.584 4.550 -0.000 0.000 0.291 262 Y C 2.431 178.057 175.900 -0.456 0.000 1.137 262 Y CA 1.113 58.664 58.100 -0.915 0.000 1.181 262 Y CB -0.242 37.835 38.460 -0.637 0.000 0.989 262 Y HN 0.122 nan 8.280 nan 0.000 0.527 263 L N 0.751 121.685 121.223 -0.481 0.000 2.042 263 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 263 L C 2.456 179.162 176.870 -0.273 0.000 1.076 263 L CA 2.188 56.752 54.840 -0.461 0.000 0.749 263 L CB -1.339 40.439 42.059 -0.468 0.000 0.893 263 L HN 0.261 nan 8.230 nan 0.000 0.432 264 A N -0.666 122.046 122.820 -0.180 0.000 1.940 264 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 264 A C 2.445 179.973 177.584 -0.092 0.000 1.176 264 A CA 1.873 53.854 52.037 -0.094 0.000 0.631 264 A CB -1.113 17.859 19.000 -0.047 0.000 0.814 264 A HN 0.588 nan 8.150 nan 0.000 0.446 265 A N -0.037 122.689 122.820 -0.156 0.000 1.858 265 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 265 A C 2.187 179.694 177.584 -0.128 0.000 1.190 265 A CA 2.162 54.123 52.037 -0.125 0.000 0.617 265 A CB -1.275 17.636 19.000 -0.148 0.000 0.827 265 A HN 1.161 nan 8.150 nan 0.000 0.443 266 V N -2.898 116.856 119.914 -0.268 0.000 3.444 266 V HA 0.043 4.163 4.120 -0.000 0.000 0.271 266 V C 1.546 177.671 176.094 0.051 0.000 1.188 266 V CA 1.998 64.270 62.300 -0.046 0.000 1.168 266 V CB -0.695 30.981 31.823 -0.246 0.000 0.810 266 V HN 0.470 nan 8.190 nan 0.000 0.500 267 K N 1.175 121.568 120.400 -0.012 0.000 2.334 267 K HA 0.119 4.439 4.320 -0.000 0.000 0.195 267 K C 2.119 178.779 176.600 0.100 0.000 1.045 267 K CA 1.025 57.332 56.287 0.033 0.000 1.004 267 K CB 0.262 32.770 32.500 0.014 0.000 0.837 267 K HN 0.713 nan 8.250 nan 0.000 0.510 268 S N -0.628 115.120 115.700 0.080 0.000 2.524 268 S HA 0.162 4.632 4.470 -0.000 0.000 0.222 268 S C 0.497 175.151 174.600 0.090 0.000 1.040 268 S CA -0.458 57.800 58.200 0.098 0.000 0.915 268 S CB 0.433 63.665 63.200 0.053 0.000 0.831 268 S HN -0.073 nan 8.310 nan 0.000 0.492 269 Q N 2.124 121.956 119.800 0.053 0.000 2.423 269 Q HA 0.435 4.775 4.340 -0.000 0.000 0.278 269 Q C -1.317 174.573 176.000 -0.183 0.000 1.097 269 Q CA -0.452 55.341 55.803 -0.018 0.000 0.809 269 Q CB 1.584 30.306 28.738 -0.028 0.000 1.391 269 Q HN 0.496 nan 8.270 nan 0.000 0.428 270 N N -1.078 117.408 118.700 -0.356 0.000 2.541 270 N HA 0.156 4.896 4.740 -0.000 0.000 0.297 270 N C 0.097 175.214 175.510 -0.656 0.000 1.503 270 N CA -0.319 52.158 53.050 -0.956 0.000 0.919 270 N CB 0.404 38.497 38.487 -0.656 0.000 1.305 270 N HN 0.578 nan 8.380 nan 0.000 0.501 271 G N -0.429 108.135 108.800 -0.393 0.000 2.484 271 G HA2 0.337 4.297 3.960 -0.000 0.000 0.235 271 G HA3 0.337 4.297 3.960 -0.000 0.000 0.235 271 G C 1.074 175.849 174.900 -0.209 0.000 1.282 271 G CA -0.023 44.969 45.100 -0.181 0.000 0.857 271 G HN 0.429 nan 8.290 nan 0.000 0.571 272 A N 2.043 124.777 122.820 -0.144 0.000 1.892 272 A HA 0.270 4.590 4.320 -0.000 0.000 0.218 272 A C 1.777 179.271 177.584 -0.151 0.000 1.188 272 A CA 2.056 53.925 52.037 -0.279 0.000 0.631 272 A CB -0.385 18.213 19.000 -0.670 0.000 0.822 272 A HN 1.805 nan 8.150 nan 0.000 0.447 273 A N -0.730 121.940 122.820 -0.250 0.000 2.304 273 A HA 0.683 5.003 4.320 -0.000 0.000 0.314 273 A C -0.356 177.278 177.584 0.083 0.000 1.187 273 A CA -0.462 51.552 52.037 -0.038 0.000 0.810 273 A CB 0.539 19.328 19.000 -0.351 0.000 1.183 273 A HN 0.172 nan 8.150 nan 0.000 0.487 274 M N 3.047 122.809 119.600 0.270 0.000 2.386 274 M HA 0.258 4.738 4.480 -0.000 0.000 0.245 274 M C -0.108 176.491 176.300 0.498 0.000 0.982 274 M CA -0.185 55.313 55.300 0.330 0.000 0.860 274 M CB 0.011 32.824 32.600 0.354 0.000 1.371 274 M HN 0.573 nan 8.290 nan 0.000 0.425 275 S N 0.689 116.630 115.700 0.402 0.000 2.585 275 S HA 0.305 4.775 4.470 -0.000 0.000 0.273 275 S C 0.977 175.862 174.600 0.475 0.000 1.339 275 S CA -0.413 58.022 58.200 0.392 0.000 1.028 275 S CB 1.158 64.520 63.200 0.270 0.000 0.906 275 S HN 0.616 nan 8.310 nan 0.000 0.528 276 F N 1.670 121.686 119.950 0.109 0.000 2.270 276 F HA 0.288 4.815 4.527 -0.000 0.000 0.295 276 F C 1.488 177.370 175.800 0.138 0.000 1.087 276 F CA 1.354 59.351 58.000 -0.005 0.000 1.365 276 F CB -0.056 38.840 39.000 -0.173 0.000 1.056 276 F HN 0.899 nan 8.300 nan 0.000 0.506 277 G N 0.481 109.356 108.800 0.126 0.000 2.378 277 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.198 277 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.198 277 G C -0.836 174.028 174.900 -0.060 0.000 1.223 277 G CA -0.368 44.713 45.100 -0.032 0.000 1.088 277 G HN 0.378 nan 8.290 nan 0.000 0.530 278 R N 0.409 120.817 120.500 -0.153 0.000 2.505 278 R HA 0.616 4.956 4.340 -0.000 0.000 0.284 278 R C 1.251 177.447 176.300 -0.174 0.000 1.324 278 R CA 0.850 56.844 56.100 -0.178 0.000 1.432 278 R CB 0.307 30.465 30.300 -0.236 0.000 1.107 278 R HN 0.975 nan 8.270 nan 0.000 0.587 279 T N -1.842 112.635 114.554 -0.127 0.000 2.978 279 T HA -0.012 4.337 4.350 -0.000 0.000 0.248 279 T C 1.690 176.396 174.700 0.010 0.000 1.018 279 T CA 0.630 62.707 62.100 -0.038 0.000 1.026 279 T CB -0.034 68.843 68.868 0.014 0.000 1.032 279 T HN 0.348 nan 8.240 nan 0.000 0.485 280 S N 1.998 117.531 115.700 -0.278 0.000 2.359 280 S HA -0.204 4.266 4.470 -0.000 0.000 0.223 280 S C 2.104 176.651 174.600 -0.089 0.000 1.039 280 S CA 2.041 59.998 58.200 -0.405 0.000 1.042 280 S CB -1.743 60.889 63.200 -0.947 0.000 0.915 280 S HN 0.501 nan 8.310 nan 0.000 0.439 281 T N 1.616 116.104 114.554 -0.110 0.000 2.777 281 T HA 0.030 4.380 4.350 -0.000 0.000 0.266 281 T C 1.279 175.973 174.700 -0.010 0.000 1.040 281 T CA 1.342 63.392 62.100 -0.082 0.000 1.141 281 T CB -0.590 68.153 68.868 -0.208 0.000 0.868 281 T HN 0.491 nan 8.240 nan 0.000 0.444 282 F N 1.851 121.746 119.950 -0.093 0.000 2.095 282 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 282 F C 1.820 177.695 175.800 0.123 0.000 1.104 282 F CA 1.315 59.314 58.000 -0.002 0.000 1.232 282 F CB -0.475 38.514 39.000 -0.019 0.000 0.987 282 F HN 0.051 nan 8.300 nan 0.000 0.475 283 L N 0.078 121.381 121.223 0.133 0.000 2.275 283 L HA -0.184 4.156 4.340 -0.000 0.000 0.215 283 L C 1.967 178.886 176.870 0.081 0.000 1.119 283 L CA 1.491 56.386 54.840 0.091 0.000 0.790 283 L CB -0.868 41.339 42.059 0.246 0.000 0.919 283 L HN 0.200 nan 8.230 nan 0.000 0.443 284 D N -0.152 120.277 120.400 0.049 0.000 2.178 284 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 284 D C 2.143 178.430 176.300 -0.022 0.000 0.980 284 D CA 0.820 54.837 54.000 0.029 0.000 0.842 284 D CB 0.224 41.035 40.800 0.018 0.000 0.948 284 D HN 0.019 nan 8.370 nan 0.000 0.472 285 V N -0.041 119.810 119.914 -0.105 0.000 2.392 285 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 285 V C 1.758 177.768 176.094 -0.141 0.000 1.059 285 V CA 1.597 63.754 62.300 -0.239 0.000 1.051 285 V CB -0.749 30.735 31.823 -0.565 0.000 0.658 285 V HN 0.330 nan 8.190 nan 0.000 0.455 286 Y N -0.800 119.452 120.300 -0.080 0.000 2.286 286 Y HA 0.051 4.601 4.550 -0.000 0.000 0.293 286 Y C 2.240 178.148 175.900 0.014 0.000 1.124 286 Y CA 0.955 59.075 58.100 0.034 0.000 1.178 286 Y CB -0.310 38.142 38.460 -0.012 0.000 1.010 286 Y HN 0.145 nan 8.280 nan 0.000 0.536 287 I N -0.430 120.224 120.570 0.142 0.000 2.252 287 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 287 I C 2.336 178.466 176.117 0.021 0.000 1.102 287 I CA 1.166 62.510 61.300 0.073 0.000 1.385 287 I CB -0.251 37.788 38.000 0.064 0.000 1.064 287 I HN 0.189 nan 8.210 nan 0.000 0.414 288 E N 0.866 121.061 120.200 -0.009 0.000 2.058 288 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 288 E C 2.210 178.791 176.600 -0.032 0.000 0.997 288 E CA 1.261 57.632 56.400 -0.048 0.000 0.801 288 E CB -0.304 29.350 29.700 -0.077 0.000 0.746 288 E HN 0.375 nan 8.360 nan 0.000 0.450 289 R N 0.660 121.155 120.500 -0.007 0.000 2.091 289 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 289 R C 1.691 177.980 176.300 -0.017 0.000 1.136 289 R CA 1.979 58.072 56.100 -0.013 0.000 0.959 289 R CB -0.037 30.263 30.300 -0.001 0.000 0.856 289 R HN 0.020 nan 8.270 nan 0.000 0.437 290 D N 0.223 120.627 120.400 0.007 0.000 2.144 290 D HA -0.108 4.532 4.640 -0.000 0.000 0.200 290 D C 1.924 178.218 176.300 -0.009 0.000 0.978 290 D CA 0.908 54.910 54.000 0.004 0.000 0.833 290 D CB -0.039 40.776 40.800 0.025 0.000 0.961 290 D HN 0.258 nan 8.370 nan 0.000 0.470 291 L N 0.209 121.422 121.223 -0.016 0.000 2.027 291 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 291 L C 2.210 179.060 176.870 -0.033 0.000 1.074 291 L CA 0.963 55.787 54.840 -0.027 0.000 0.745 291 L CB -0.212 41.821 42.059 -0.043 0.000 0.898 291 L HN -0.119 nan 8.230 nan 0.000 0.433 292 K N 0.372 120.748 120.400 -0.040 0.000 2.152 292 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 292 K C 1.835 178.414 176.600 -0.035 0.000 1.048 292 K CA 1.380 57.642 56.287 -0.042 0.000 0.933 292 K CB -0.566 31.905 32.500 -0.048 0.000 0.721 292 K HN 0.277 nan 8.250 nan 0.000 0.447 293 A N -0.647 122.153 122.820 -0.032 0.000 2.251 293 A HA 0.314 4.634 4.320 -0.000 0.000 0.209 293 A C 1.294 178.865 177.584 -0.022 0.000 1.187 293 A CA 0.754 52.774 52.037 -0.029 0.000 0.823 293 A CB -0.501 18.479 19.000 -0.033 0.000 0.846 293 A HN 0.321 nan 8.150 nan 0.000 0.486 294 G N 0.161 108.949 108.800 -0.021 0.000 2.187 294 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.261 294 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.261 294 G C 0.939 175.833 174.900 -0.011 0.000 1.000 294 G CA 1.080 46.170 45.100 -0.016 0.000 0.718 294 G HN 0.683 nan 8.290 nan 0.000 0.519 295 K N -1.091 119.303 120.400 -0.010 0.000 2.228 295 K HA 0.344 4.664 4.320 -0.000 0.000 0.202 295 K C 0.649 177.248 176.600 -0.002 0.000 1.051 295 K CA 0.633 56.917 56.287 -0.005 0.000 0.960 295 K CB 0.065 32.563 32.500 -0.003 0.000 0.743 295 K HN 0.377 nan 8.250 nan 0.000 0.458 296 I N 0.810 121.378 120.570 -0.003 0.000 2.686 296 I HA 0.090 4.260 4.170 -0.000 0.000 0.295 296 I C -0.376 175.738 176.117 -0.004 0.000 1.114 296 I CA -0.586 60.713 61.300 -0.002 0.000 1.038 296 I CB 2.172 40.173 38.000 0.002 0.000 1.238 296 I HN 0.139 nan 8.210 nan 0.000 0.420 297 T N 1.230 115.782 114.554 -0.003 0.000 2.847 297 T HA 0.300 4.650 4.350 -0.000 0.000 0.279 297 T C 0.890 175.593 174.700 0.006 0.000 0.984 297 T CA -0.229 61.871 62.100 -0.001 0.000 0.988 297 T CB 1.119 69.986 68.868 -0.001 0.000 1.040 297 T HN 0.598 nan 8.240 nan 0.000 0.528 298 E N -0.003 120.207 120.200 0.017 0.000 2.106 298 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 298 E C 2.191 178.809 176.600 0.031 0.000 0.984 298 E CA 1.515 57.940 56.400 0.042 0.000 0.806 298 E CB -0.376 29.370 29.700 0.077 0.000 0.750 298 E HN 0.802 nan 8.360 nan 0.000 0.458 299 Q N 0.073 119.880 119.800 0.012 0.000 2.124 299 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 299 Q C 1.877 177.866 176.000 -0.019 0.000 0.977 299 Q CA 1.653 57.454 55.803 -0.003 0.000 0.850 299 Q CB -0.041 28.694 28.738 -0.005 0.000 0.901 299 Q HN 0.400 nan 8.270 nan 0.000 0.429 300 E N -0.256 119.931 120.200 -0.021 0.000 2.204 300 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 300 E C 1.809 178.381 176.600 -0.048 0.000 0.989 300 E CA 0.734 57.109 56.400 -0.041 0.000 0.824 300 E CB -0.031 29.652 29.700 -0.028 0.000 0.756 300 E HN 0.459 nan 8.360 nan 0.000 0.477 301 A N 1.052 123.862 122.820 -0.017 0.000 1.873 301 A HA -0.189 4.130 4.320 -0.000 0.000 0.215 301 A C 2.139 179.714 177.584 -0.016 0.000 1.186 301 A CA 0.972 53.008 52.037 -0.002 0.000 0.616 301 A CB -0.236 18.783 19.000 0.032 0.000 0.823 301 A HN 0.081 nan 8.150 nan 0.000 0.442 302 Q N -0.418 119.376 119.800 -0.010 0.000 2.084 302 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 302 Q C 1.993 177.946 176.000 -0.078 0.000 0.978 302 Q CA 1.848 57.635 55.803 -0.027 0.000 0.844 302 Q CB -0.332 28.398 28.738 -0.013 0.000 0.898 302 Q HN 0.879 nan 8.270 nan 0.000 0.426 303 E N -0.153 119.983 120.200 -0.105 0.000 2.051 303 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 303 E C 2.065 178.473 176.600 -0.320 0.000 0.991 303 E CA 1.018 57.295 56.400 -0.204 0.000 0.799 303 E CB 0.003 29.558 29.700 -0.242 0.000 0.748 303 E HN 0.293 nan 8.360 nan 0.000 0.449 304 M N -0.036 119.422 119.600 -0.236 0.000 2.080 304 M HA -0.189 4.290 4.480 -0.000 0.000 0.260 304 M C 2.339 178.549 176.300 -0.150 0.000 1.068 304 M CA 1.257 56.442 55.300 -0.190 0.000 1.109 304 M CB -0.077 32.462 32.600 -0.101 0.000 1.342 304 M HN 0.085 nan 8.290 nan 0.000 0.405 305 V N 0.350 120.175 119.914 -0.148 0.000 2.343 305 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 305 V C 1.732 177.647 176.094 -0.298 0.000 1.051 305 V CA 1.894 64.046 62.300 -0.247 0.000 1.036 305 V CB -0.757 30.919 31.823 -0.246 0.000 0.654 305 V HN 0.411 nan 8.190 nan 0.000 0.451 306 D N -0.946 119.341 120.400 -0.188 0.000 2.117 306 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 306 D C 2.083 178.336 176.300 -0.079 0.000 0.987 306 D CA 1.486 55.398 54.000 -0.146 0.000 0.829 306 D CB -0.343 40.435 40.800 -0.035 0.000 0.961 306 D HN 0.606 nan 8.370 nan 0.000 0.460 307 H N -0.517 118.423 119.070 -0.216 0.000 2.423 307 H HA -0.045 4.511 4.556 -0.000 0.000 0.297 307 H C 2.124 177.262 175.328 -0.317 0.000 1.075 307 H CA 0.247 56.169 56.048 -0.209 0.000 1.342 307 H CB 0.252 29.930 29.762 -0.139 0.000 1.395 307 H HN 0.064 nan 8.280 nan 0.000 0.530 308 L N 0.659 121.743 121.223 -0.230 0.000 1.988 308 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 308 L C 2.294 178.882 176.870 -0.470 0.000 1.071 308 L CA 1.210 55.811 54.840 -0.397 0.000 0.744 308 L CB -0.681 41.203 42.059 -0.292 0.000 0.893 308 L HN -0.051 nan 8.230 nan 0.000 0.433 309 V N 0.099 119.739 119.914 -0.456 0.000 2.392 309 V HA -0.365 3.755 4.120 -0.000 0.000 0.249 309 V C 2.671 178.523 176.094 -0.403 0.000 1.059 309 V CA 2.318 64.340 62.300 -0.464 0.000 1.051 309 V CB -0.658 30.866 31.823 -0.499 0.000 0.658 309 V HN 0.683 nan 8.190 nan 0.000 0.455 310 M N -0.671 118.704 119.600 -0.375 0.000 2.159 310 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 310 M C 2.200 178.363 176.300 -0.228 0.000 1.063 310 M CA 1.774 56.871 55.300 -0.338 0.000 1.110 310 M CB -0.180 32.262 32.600 -0.264 0.000 1.374 310 M HN 0.098 nan 8.290 nan 0.000 0.411 311 K N 0.637 120.860 120.400 -0.296 0.000 2.097 311 K HA -0.019 4.301 4.320 -0.000 0.000 0.205 311 K C 1.880 178.396 176.600 -0.141 0.000 1.050 311 K CA 1.222 57.354 56.287 -0.258 0.000 0.938 311 K CB -0.652 31.481 32.500 -0.610 0.000 0.718 311 K HN 0.474 nan 8.250 nan 0.000 0.442 312 L N 0.308 121.393 121.223 -0.229 0.000 2.291 312 L HA -0.057 4.283 4.340 -0.000 0.000 0.214 312 L C 2.088 178.900 176.870 -0.098 0.000 1.120 312 L CA 0.755 55.497 54.840 -0.164 0.000 0.799 312 L CB -0.225 41.619 42.059 -0.359 0.000 0.925 312 L HN 0.093 nan 8.230 nan 0.000 0.446 313 R N -0.358 120.070 120.500 -0.121 0.000 2.299 313 R HA 0.076 4.416 4.340 -0.000 0.000 0.197 313 R C 1.542 177.874 176.300 0.053 0.000 0.971 313 R CA 0.534 56.605 56.100 -0.048 0.000 1.030 313 R CB 0.080 30.300 30.300 -0.132 0.000 0.932 313 R HN 0.391 nan 8.270 nan 0.000 0.477 314 M N 0.097 119.712 119.600 0.025 0.000 2.333 314 M HA 0.130 4.610 4.480 -0.000 0.000 0.257 314 M C -0.137 176.146 176.300 -0.027 0.000 1.078 314 M CA -0.058 55.259 55.300 0.027 0.000 1.005 314 M CB 1.289 33.911 32.600 0.036 0.000 1.444 314 M HN -0.214 nan 8.290 nan 0.000 0.496 315 V N 2.910 122.806 119.914 -0.030 0.000 2.585 315 V HA 0.153 4.273 4.120 -0.000 0.000 0.296 315 V C 0.370 176.327 176.094 -0.229 0.000 1.035 315 V CA 0.163 62.385 62.300 -0.129 0.000 1.084 315 V CB 0.012 31.823 31.823 -0.021 0.000 0.953 315 V HN 0.333 nan 8.190 nan 0.000 0.483 316 R N 3.624 123.863 120.500 -0.436 0.000 2.740 316 R HA 0.627 4.967 4.340 -0.000 0.000 0.273 316 R C -1.497 174.412 176.300 -0.652 0.000 0.998 316 R CA -0.642 55.231 56.100 -0.378 0.000 0.900 316 R CB 2.220 32.400 30.300 -0.201 0.000 1.223 316 R HN 0.586 nan 8.270 nan 0.000 0.466 317 F N 0.968 120.876 119.950 -0.070 0.000 2.569 317 F HA 0.324 4.851 4.527 -0.000 0.000 0.312 317 F C -0.017 175.692 175.800 -0.153 0.000 1.109 317 F CA -1.207 56.729 58.000 -0.106 0.000 0.919 317 F CB 1.876 40.803 39.000 -0.121 0.000 1.211 317 F HN 0.185 nan 8.300 nan 0.000 0.446 318 L N 5.613 126.861 121.223 0.042 0.000 2.433 318 L HA 0.359 4.699 4.340 -0.000 0.000 0.275 318 L C -0.446 176.358 176.870 -0.110 0.000 1.128 318 L CA 0.234 55.006 54.840 -0.113 0.000 0.875 318 L CB -0.410 41.533 42.059 -0.193 0.000 1.171 318 L HN 0.435 nan 8.230 nan 0.000 0.463 319 R N 2.453 122.901 120.500 -0.086 0.000 2.854 319 R HA 0.570 4.910 4.340 -0.000 0.000 0.271 319 R C -0.186 176.168 176.300 0.089 0.000 0.996 319 R CA -0.492 55.547 56.100 -0.102 0.000 0.961 319 R CB 1.282 31.481 30.300 -0.170 0.000 1.182 319 R HN 0.710 nan 8.270 nan 0.000 0.479 320 T N -1.973 112.640 114.554 0.098 0.000 2.874 320 T HA 0.270 4.620 4.350 -0.000 0.000 0.281 320 T C -1.800 173.009 174.700 0.181 0.000 0.994 320 T CA -1.558 60.602 62.100 0.099 0.000 1.015 320 T CB 1.227 70.148 68.868 0.088 0.000 1.028 320 T HN 0.147 nan 8.240 nan 0.000 0.523 321 P HA -0.049 nan 4.420 nan 0.000 0.218 321 P C 1.442 178.836 177.300 0.157 0.000 1.149 321 P CA 0.822 64.009 63.100 0.146 0.000 0.817 321 P CB 0.103 31.839 31.700 0.061 0.000 0.785 322 E N -1.289 118.996 120.200 0.141 0.000 2.077 322 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 322 E C 1.902 178.616 176.600 0.189 0.000 0.989 322 E CA 0.931 57.413 56.400 0.137 0.000 0.800 322 E CB -0.526 29.254 29.700 0.133 0.000 0.746 322 E HN 0.212 nan 8.360 nan 0.000 0.452 323 Y N 1.394 121.781 120.300 0.145 0.000 2.181 323 Y HA -0.213 4.336 4.550 -0.000 0.000 0.288 323 Y C 1.945 177.979 175.900 0.224 0.000 1.146 323 Y CA 2.167 60.389 58.100 0.203 0.000 1.164 323 Y CB -0.254 38.298 38.460 0.153 0.000 0.982 323 Y HN 0.156 nan 8.280 nan 0.000 0.515 324 D N -0.047 120.578 120.400 0.375 0.000 2.182 324 D HA -0.248 4.391 4.640 -0.000 0.000 0.201 324 D C 1.867 178.271 176.300 0.174 0.000 0.986 324 D CA 1.853 56.033 54.000 0.301 0.000 0.847 324 D CB -0.174 40.812 40.800 0.310 0.000 0.942 324 D HN 0.747 nan 8.370 nan 0.000 0.467 325 E N -0.752 119.507 120.200 0.097 0.000 2.299 325 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 325 E C 1.705 178.249 176.600 -0.094 0.000 0.998 325 E CA 0.162 56.572 56.400 0.017 0.000 0.851 325 E CB -0.037 29.664 29.700 0.002 0.000 0.795 325 E HN 0.224 nan 8.360 nan 0.000 0.492 326 L N 0.052 121.157 121.223 -0.197 0.000 2.162 326 L HA 0.152 4.492 4.340 -0.000 0.000 0.205 326 L C 0.345 176.758 176.870 -0.760 0.000 1.086 326 L CA 1.133 55.658 54.840 -0.524 0.000 0.778 326 L CB -0.308 41.365 42.059 -0.643 0.000 0.928 326 L HN 0.100 nan 8.230 nan 0.000 0.446 327 F N -0.424 119.372 119.950 -0.257 0.000 2.686 327 F HA 0.294 4.821 4.527 -0.000 0.000 0.365 327 F C 0.668 176.494 175.800 0.044 0.000 1.196 327 F CA -0.939 56.991 58.000 -0.116 0.000 1.198 327 F CB 0.454 39.253 39.000 -0.336 0.000 1.454 327 F HN -0.192 nan 8.300 nan 0.000 0.539 328 S N 0.193 116.047 115.700 0.256 0.000 2.603 328 S HA 0.611 5.081 4.470 -0.000 0.000 0.268 328 S C 1.072 175.840 174.600 0.280 0.000 1.317 328 S CA 0.166 58.514 58.200 0.247 0.000 1.012 328 S CB 1.433 64.743 63.200 0.184 0.000 0.926 328 S HN 1.450 nan 8.310 nan 0.000 0.539 329 G N 0.405 109.323 108.800 0.196 0.000 2.137 329 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.237 329 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.237 329 G C 0.030 174.990 174.900 0.100 0.000 1.002 329 G CA 0.171 45.354 45.100 0.138 0.000 0.702 329 G HN 1.385 nan 8.290 nan 0.000 0.515 330 D N -0.575 119.881 120.400 0.093 0.000 2.697 330 D HA -0.126 4.513 4.640 -0.000 0.000 0.238 330 D C -0.761 175.571 176.300 0.053 0.000 1.152 330 D CA 1.345 55.382 54.000 0.062 0.000 0.666 330 D CB -0.154 40.638 40.800 -0.014 0.000 1.037 330 D HN 0.644 nan 8.370 nan 0.000 0.423 331 P HA 0.196 nan 4.420 nan 0.000 0.276 331 P C 0.605 177.868 177.300 -0.062 0.000 1.244 331 P CA -0.484 62.490 63.100 -0.211 0.000 0.801 331 P CB 1.131 32.331 31.700 -0.833 0.000 1.006 332 I N -1.796 118.723 120.570 -0.085 0.000 4.706 332 I HA 0.083 4.253 4.170 -0.000 0.000 0.321 332 I C 0.524 176.884 176.117 0.404 0.000 1.249 332 I CA 0.218 61.653 61.300 0.226 0.000 1.321 332 I CB -0.601 37.512 38.000 0.188 0.000 1.342 332 I HN 0.502 nan 8.210 nan 0.000 0.463 333 W N 2.430 123.792 121.300 0.103 0.000 5.158 333 W HA -0.188 4.472 4.660 -0.000 0.000 0.393 333 W C 0.526 177.130 176.519 0.142 0.000 1.508 333 W CA 0.537 57.941 57.345 0.099 0.000 0.901 333 W CB -1.798 27.679 29.460 0.029 0.000 2.676 333 W HN 0.258 nan 8.180 nan 0.000 1.392 334 A N 1.130 124.108 122.820 0.264 0.000 3.037 334 A HA 0.406 4.726 4.320 -0.000 0.000 0.272 334 A C 0.873 178.562 177.584 0.174 0.000 1.723 334 A CA 0.608 52.778 52.037 0.221 0.000 1.413 334 A CB -0.152 18.906 19.000 0.095 0.000 1.112 334 A HN 0.090 nan 8.150 nan 0.000 0.606 335 T N 1.519 116.222 114.554 0.248 0.000 2.870 335 T HA 0.250 4.600 4.350 -0.000 0.000 0.300 335 T C -0.026 174.792 174.700 0.197 0.000 0.989 335 T CA 0.149 62.378 62.100 0.216 0.000 1.139 335 T CB 0.863 69.879 68.868 0.247 0.000 0.920 335 T HN 0.519 nan 8.240 nan 0.000 0.537 336 E N 1.860 122.146 120.200 0.144 0.000 2.176 336 E HA 0.353 4.703 4.350 -0.000 0.000 0.267 336 E C -0.955 175.659 176.600 0.022 0.000 0.893 336 E CA -0.576 55.889 56.400 0.108 0.000 0.761 336 E CB 1.589 31.351 29.700 0.104 0.000 1.133 336 E HN 0.494 nan 8.360 nan 0.000 0.409 337 S N 4.512 120.193 115.700 -0.033 0.000 2.410 337 S HA 0.479 4.949 4.470 -0.000 0.000 0.304 337 S C 0.378 174.893 174.600 -0.141 0.000 1.095 337 S CA -0.485 57.668 58.200 -0.079 0.000 1.089 337 S CB 0.109 63.232 63.200 -0.129 0.000 0.968 337 S HN 0.348 nan 8.310 nan 0.000 0.480 338 I N 2.682 123.190 120.570 -0.104 0.000 2.460 338 I HA 0.614 4.784 4.170 -0.000 0.000 0.298 338 I C 1.082 177.137 176.117 -0.103 0.000 0.989 338 I CA -0.277 60.953 61.300 -0.116 0.000 1.173 338 I CB 1.246 39.231 38.000 -0.024 0.000 1.338 338 I HN 0.822 nan 8.210 nan 0.000 0.456 339 G N 4.123 112.796 108.800 -0.211 0.000 2.523 339 G HA2 0.144 4.104 3.960 -0.000 0.000 0.271 339 G HA3 0.144 4.104 3.960 -0.000 0.000 0.271 339 G C 0.342 175.115 174.900 -0.213 0.000 1.146 339 G CA 0.039 44.969 45.100 -0.283 0.000 0.961 339 G HN 1.805 nan 8.290 nan 0.000 0.549 340 G N -2.257 106.454 108.800 -0.149 0.000 2.796 340 G HA2 0.364 4.324 3.960 -0.000 0.000 0.571 340 G HA3 0.364 4.324 3.960 -0.000 0.000 0.571 340 G C -0.351 174.482 174.900 -0.111 0.000 1.370 340 G CA 0.476 45.510 45.100 -0.110 0.000 0.856 340 G HN 1.652 nan 8.290 nan 0.000 0.538 341 M N 0.562 120.124 119.600 -0.063 0.000 2.535 341 M HA 0.603 5.083 4.480 -0.000 0.000 0.314 341 M C 0.962 177.246 176.300 -0.026 0.000 1.153 341 M CA -0.176 55.098 55.300 -0.043 0.000 0.924 341 M CB 1.090 33.677 32.600 -0.022 0.000 1.710 341 M HN 1.307 nan 8.290 nan 0.000 0.451 342 G N 1.114 109.906 108.800 -0.014 0.000 2.599 342 G HA2 0.505 4.465 3.960 -0.000 0.000 0.264 342 G HA3 0.505 4.465 3.960 -0.000 0.000 0.264 342 G C 0.711 175.625 174.900 0.023 0.000 1.200 342 G CA -0.617 44.481 45.100 -0.002 0.000 0.896 342 G HN 0.771 nan 8.290 nan 0.000 0.536 343 L N -0.023 121.218 121.223 0.029 0.000 2.217 343 L HA -0.008 4.332 4.340 -0.000 0.000 0.211 343 L C 2.317 179.205 176.870 0.030 0.000 1.107 343 L CA 1.176 56.037 54.840 0.035 0.000 0.783 343 L CB -0.167 41.915 42.059 0.039 0.000 0.919 343 L HN 0.704 nan 8.230 nan 0.000 0.442 344 D N -0.874 119.545 120.400 0.031 0.000 2.363 344 D HA -0.019 4.621 4.640 -0.000 0.000 0.220 344 D C 1.538 177.851 176.300 0.022 0.000 0.994 344 D CA 1.018 55.034 54.000 0.026 0.000 0.890 344 D CB 0.254 41.070 40.800 0.027 0.000 0.906 344 D HN 0.269 nan 8.370 nan 0.000 0.530 345 G N -0.036 108.778 108.800 0.024 0.000 2.307 345 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.210 345 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.210 345 G C 0.356 175.267 174.900 0.017 0.000 1.005 345 G CA -0.153 44.958 45.100 0.018 0.000 0.634 345 G HN 0.469 nan 8.290 nan 0.000 0.496 346 R N 0.871 121.390 120.500 0.031 0.000 2.679 346 R HA 0.534 4.874 4.340 -0.000 0.000 0.269 346 R C 0.417 176.753 176.300 0.060 0.000 1.076 346 R CA 0.446 56.570 56.100 0.040 0.000 1.160 346 R CB 0.425 30.755 30.300 0.050 0.000 1.054 346 R HN 0.159 nan 8.270 nan 0.000 0.507 347 T N 0.767 115.351 114.554 0.050 0.000 2.910 347 T HA 0.104 4.454 4.350 -0.000 0.000 0.293 347 T C 0.870 175.618 174.700 0.080 0.000 1.015 347 T CA -0.613 61.498 62.100 0.020 0.000 1.094 347 T CB 0.512 69.368 68.868 -0.021 0.000 0.968 347 T HN 0.239 nan 8.240 nan 0.000 0.521 348 L N 5.049 126.231 121.223 -0.069 0.000 2.592 348 L HA 0.327 4.667 4.340 -0.000 0.000 0.227 348 L C 0.515 177.278 176.870 -0.179 0.000 1.127 348 L CA 0.555 55.259 54.840 -0.227 0.000 0.884 348 L CB -0.525 41.329 42.059 -0.342 0.000 1.065 348 L HN 0.469 nan 8.230 nan 0.000 0.457 349 V N 0.728 120.553 119.914 -0.148 0.000 2.655 349 V HA 0.249 4.369 4.120 -0.000 0.000 0.300 349 V C 0.866 176.978 176.094 0.030 0.000 1.044 349 V CA 0.190 62.355 62.300 -0.226 0.000 1.095 349 V CB 0.823 32.413 31.823 -0.389 0.000 0.952 349 V HN 0.564 nan 8.190 nan 0.000 0.485 350 T N 1.493 116.093 114.554 0.076 0.000 2.804 350 T HA 0.434 4.784 4.350 -0.000 0.000 0.290 350 T C 0.693 175.524 174.700 0.218 0.000 1.099 350 T CA -0.872 61.325 62.100 0.161 0.000 1.011 350 T CB 1.674 70.592 68.868 0.084 0.000 1.291 350 T HN 0.379 nan 8.240 nan 0.000 0.523 351 K N 0.013 120.365 120.400 -0.079 0.000 2.147 351 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 351 K C 1.854 178.618 176.600 0.273 0.000 1.049 351 K CA 1.077 57.226 56.287 -0.229 0.000 0.936 351 K CB -0.276 31.783 32.500 -0.734 0.000 0.722 351 K HN 0.421 nan 8.250 nan 0.000 0.446 352 N N 0.491 119.313 118.700 0.202 0.000 2.309 352 N HA -0.067 4.673 4.740 -0.000 0.000 0.182 352 N C 1.379 177.115 175.510 0.377 0.000 1.018 352 N CA 0.895 54.125 53.050 0.300 0.000 0.876 352 N CB 0.029 38.650 38.487 0.223 0.000 0.972 352 N HN -0.016 nan 8.380 nan 0.000 0.434 353 S N -0.273 115.601 115.700 0.290 0.000 2.359 353 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 353 S C 1.590 176.454 174.600 0.441 0.000 1.035 353 S CA 0.959 59.294 58.200 0.226 0.000 1.018 353 S CB -0.407 62.782 63.200 -0.018 0.000 0.876 353 S HN 0.333 nan 8.310 nan 0.000 0.448 354 F N 1.692 121.934 119.950 0.488 0.000 2.146 354 F HA 0.015 4.542 4.527 -0.000 0.000 0.298 354 F C 2.509 178.558 175.800 0.414 0.000 1.096 354 F CA 0.874 59.205 58.000 0.551 0.000 1.275 354 F CB -0.373 38.905 39.000 0.463 0.000 1.008 354 F HN 0.031 nan 8.300 nan 0.000 0.480 355 R N -0.916 119.905 120.500 0.535 0.000 2.081 355 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 355 R C 2.186 178.643 176.300 0.262 0.000 1.131 355 R CA 1.596 57.896 56.100 0.333 0.000 0.960 355 R CB -0.778 29.696 30.300 0.290 0.000 0.856 355 R HN 0.215 nan 8.270 nan 0.000 0.436 356 F N 0.630 120.671 119.950 0.153 0.000 2.102 356 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 356 F C 2.118 177.944 175.800 0.044 0.000 1.105 356 F CA 1.138 59.180 58.000 0.070 0.000 1.239 356 F CB -0.378 38.660 39.000 0.064 0.000 0.991 356 F HN -0.090 nan 8.300 nan 0.000 0.474 357 L N 0.065 121.461 121.223 0.289 0.000 2.083 357 L HA -0.236 4.103 4.340 -0.000 0.000 0.209 357 L C 2.015 178.927 176.870 0.071 0.000 1.083 357 L CA 1.516 56.420 54.840 0.107 0.000 0.752 357 L CB -1.257 40.843 42.059 0.069 0.000 0.899 357 L HN 0.107 nan 8.230 nan 0.000 0.433 358 N N -0.874 117.980 118.700 0.257 0.000 2.443 358 N HA -0.176 4.564 4.740 -0.000 0.000 0.184 358 N C 1.740 177.310 175.510 0.100 0.000 1.037 358 N CA 1.342 54.572 53.050 0.301 0.000 0.896 358 N CB -0.046 38.615 38.487 0.290 0.000 0.959 358 N HN 0.537 nan 8.380 nan 0.000 0.442 359 T N -2.167 112.367 114.554 -0.033 0.000 2.929 359 T HA -0.081 4.269 4.350 -0.000 0.000 0.271 359 T C 1.651 176.242 174.700 -0.182 0.000 1.085 359 T CA 0.489 62.504 62.100 -0.143 0.000 1.125 359 T CB -0.214 68.506 68.868 -0.248 0.000 0.874 359 T HN 0.003 nan 8.240 nan 0.000 0.494 360 L N -0.238 120.851 121.223 -0.224 0.000 2.362 360 L HA 0.203 4.543 4.340 -0.000 0.000 0.219 360 L C 1.856 178.539 176.870 -0.312 0.000 1.134 360 L CA 1.045 55.692 54.840 -0.322 0.000 0.807 360 L CB -1.366 40.415 42.059 -0.464 0.000 0.927 360 L HN 0.439 nan 8.230 nan 0.000 0.447 361 Y N -0.704 119.582 120.300 -0.024 0.000 2.353 361 Y HA -0.102 4.448 4.550 -0.000 0.000 0.294 361 Y C 2.660 178.555 175.900 -0.009 0.000 1.135 361 Y CA 0.860 58.962 58.100 0.004 0.000 1.176 361 Y CB -0.390 38.096 38.460 0.043 0.000 1.124 361 Y HN 0.203 nan 8.280 nan 0.000 0.537 362 T N -1.215 113.418 114.554 0.131 0.000 2.788 362 T HA -0.185 4.164 4.350 -0.000 0.000 0.268 362 T C 1.274 175.974 174.700 -0.001 0.000 1.044 362 T CA 1.513 63.643 62.100 0.050 0.000 1.139 362 T CB -0.259 68.613 68.868 0.007 0.000 0.867 362 T HN 0.284 nan 8.240 nan 0.000 0.454 363 M N 0.652 120.193 119.600 -0.098 0.000 2.416 363 M HA 0.436 4.916 4.480 -0.000 0.000 0.337 363 M C 0.962 177.199 176.300 -0.106 0.000 1.074 363 M CA -0.048 55.120 55.300 -0.221 0.000 0.968 363 M CB 1.249 33.440 32.600 -0.682 0.000 1.472 363 M HN 0.573 nan 8.290 nan 0.000 0.539 364 G N 1.891 110.683 108.800 -0.012 0.000 2.828 364 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.463 364 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.463 364 G C -3.171 171.707 174.900 -0.037 0.000 1.394 364 G CA -1.292 43.832 45.100 0.039 0.000 0.862 364 G HN 0.123 nan 8.290 nan 0.000 0.540 365 P HA 0.470 nan 4.420 nan 0.000 0.268 365 P C -0.265 177.037 177.300 0.004 0.000 1.205 365 P CA 0.395 63.473 63.100 -0.037 0.000 0.771 365 P CB 1.539 33.238 31.700 -0.002 0.000 0.858 366 S N 2.433 118.108 115.700 -0.041 0.000 2.533 366 S HA 0.497 4.967 4.470 -0.000 0.000 0.271 366 S C -2.266 172.314 174.600 -0.034 0.000 1.143 366 S CA -1.453 56.737 58.200 -0.016 0.000 0.891 366 S CB 1.036 64.179 63.200 -0.096 0.000 1.105 366 S HN 0.109 nan 8.310 nan 0.000 0.468 367 P HA 0.121 nan 4.420 nan 0.000 0.217 367 P C -0.389 176.894 177.300 -0.028 0.000 1.154 367 P CA 0.982 64.071 63.100 -0.020 0.000 0.841 367 P CB 0.191 31.890 31.700 -0.003 0.000 0.788 368 E N -0.592 119.590 120.200 -0.030 0.000 2.195 368 E HA 0.374 4.724 4.350 -0.000 0.000 0.271 368 E C -2.522 174.022 176.600 -0.093 0.000 0.923 368 E CA -2.797 53.578 56.400 -0.042 0.000 0.790 368 E CB 0.712 30.400 29.700 -0.021 0.000 1.155 368 E HN 0.008 nan 8.360 nan 0.000 0.402 369 P HA 0.051 nan 4.420 nan 0.000 0.272 369 P C -0.108 177.186 177.300 -0.010 0.000 1.230 369 P CA -0.357 62.708 63.100 -0.059 0.000 0.788 369 P CB 0.471 32.118 31.700 -0.087 0.000 0.949 370 N N 1.897 120.621 118.700 0.041 0.000 2.807 370 N HA 0.103 4.843 4.740 -0.000 0.000 0.259 370 N C -0.506 175.050 175.510 0.077 0.000 1.149 370 N CA 0.081 53.173 53.050 0.070 0.000 1.042 370 N CB -0.759 37.809 38.487 0.135 0.000 1.367 370 N HN 0.296 nan 8.380 nan 0.000 0.516 371 M N 1.717 121.338 119.600 0.035 0.000 2.251 371 M HA 0.071 4.551 4.480 -0.000 0.000 0.346 371 M C -0.191 176.102 176.300 -0.013 0.000 1.499 371 M CA 0.405 55.719 55.300 0.024 0.000 1.128 371 M CB 0.203 32.814 32.600 0.018 0.000 1.809 371 M HN 0.235 nan 8.290 nan 0.000 0.464 372 T N 4.620 119.178 114.554 0.007 0.000 2.770 372 T HA 0.486 4.836 4.350 -0.000 0.000 0.283 372 T C 0.046 174.723 174.700 -0.038 0.000 0.988 372 T CA -0.642 61.455 62.100 -0.005 0.000 0.957 372 T CB 1.151 70.072 68.868 0.089 0.000 0.930 372 T HN 0.358 nan 8.240 nan 0.000 0.443 373 I N 4.180 124.673 120.570 -0.127 0.000 2.337 373 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 373 I C 0.343 176.525 176.117 0.107 0.000 1.046 373 I CA -0.641 60.656 61.300 -0.005 0.000 1.324 373 I CB 0.559 38.513 38.000 -0.078 0.000 1.409 373 I HN 0.550 nan 8.210 nan 0.000 0.494 374 L N 6.595 127.875 121.223 0.095 0.000 2.385 374 L HA 0.141 4.481 4.340 -0.000 0.000 0.285 374 L C 0.199 177.144 176.870 0.125 0.000 1.125 374 L CA -0.078 54.807 54.840 0.076 0.000 0.890 374 L CB 0.112 42.163 42.059 -0.012 0.000 1.251 374 L HN 0.564 nan 8.230 nan 0.000 0.445 375 W N 4.150 125.392 121.300 -0.098 0.000 2.202 375 W HA 0.329 4.989 4.660 -0.000 0.000 0.332 375 W C -0.026 176.433 176.519 -0.100 0.000 1.263 375 W CA 0.120 57.413 57.345 -0.087 0.000 1.223 375 W CB 1.733 31.043 29.460 -0.250 0.000 1.128 375 W HN 0.424 nan 8.180 nan 0.000 0.573 376 S N 2.991 118.458 115.700 -0.389 0.000 2.533 376 S HA 0.153 4.623 4.470 -0.000 0.000 0.271 376 S C 0.368 174.789 174.600 -0.298 0.000 1.143 376 S CA -0.551 57.546 58.200 -0.172 0.000 0.891 376 S CB 1.552 64.685 63.200 -0.113 0.000 1.105 376 S HN 0.593 nan 8.310 nan 0.000 0.468 377 E N 1.664 121.874 120.200 0.017 0.000 2.204 377 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 377 E C 0.860 177.450 176.600 -0.017 0.000 0.990 377 E CA 0.683 57.130 56.400 0.080 0.000 0.821 377 E CB 0.078 29.898 29.700 0.199 0.000 0.750 377 E HN 0.382 nan 8.360 nan 0.000 0.477 378 K N 0.530 120.907 120.400 -0.039 0.000 2.487 378 K HA 0.096 4.416 4.320 -0.000 0.000 0.192 378 K C 0.687 177.243 176.600 -0.073 0.000 1.027 378 K CA 0.099 56.365 56.287 -0.035 0.000 1.054 378 K CB -0.090 32.403 32.500 -0.012 0.000 0.824 378 K HN 0.164 nan 8.250 nan 0.000 0.510 379 L N 2.122 123.251 121.223 -0.156 0.000 2.467 379 L HA 0.055 4.395 4.340 -0.000 0.000 0.270 379 L C -1.984 174.851 176.870 -0.058 0.000 1.205 379 L CA -1.689 53.066 54.840 -0.141 0.000 0.828 379 L CB -0.156 41.743 42.059 -0.267 0.000 1.101 379 L HN -0.181 nan 8.230 nan 0.000 0.479 380 P HA -0.045 nan 4.420 nan 0.000 0.267 380 P C 0.392 177.751 177.300 0.099 0.000 1.209 380 P CA -0.221 62.911 63.100 0.054 0.000 0.763 380 P CB 0.667 32.417 31.700 0.083 0.000 0.816 381 L N 4.575 125.841 121.223 0.072 0.000 2.129 381 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 381 L C 1.633 178.593 176.870 0.152 0.000 1.087 381 L CA 1.988 56.884 54.840 0.093 0.000 0.757 381 L CB -0.916 41.190 42.059 0.078 0.000 0.896 381 L HN 0.305 nan 8.230 nan 0.000 0.434 382 N N -1.008 117.798 118.700 0.177 0.000 2.104 382 N HA -0.238 4.502 4.740 -0.000 0.000 0.190 382 N C 1.746 177.513 175.510 0.428 0.000 1.024 382 N CA 1.664 54.869 53.050 0.258 0.000 0.853 382 N CB -0.468 38.141 38.487 0.204 0.000 1.008 382 N HN 0.469 nan 8.380 nan 0.000 0.424 383 F N 1.861 121.978 119.950 0.279 0.000 2.234 383 F HA 0.051 4.578 4.527 -0.000 0.000 0.296 383 F C 1.987 177.874 175.800 0.146 0.000 1.089 383 F CA 1.033 59.153 58.000 0.200 0.000 1.343 383 F CB 0.007 39.061 39.000 0.090 0.000 1.040 383 F HN -0.118 nan 8.300 nan 0.000 0.498 384 K N 0.324 120.771 120.400 0.078 0.000 2.032 384 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 384 K C 2.101 178.804 176.600 0.171 0.000 1.048 384 K CA 1.826 58.148 56.287 0.058 0.000 0.927 384 K CB -0.202 32.337 32.500 0.065 0.000 0.712 384 K HN 0.256 nan 8.250 nan 0.000 0.441 385 K N -0.099 120.405 120.400 0.173 0.000 2.057 385 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 385 K C 2.029 178.749 176.600 0.200 0.000 1.050 385 K CA 1.107 57.504 56.287 0.184 0.000 0.935 385 K CB -0.198 32.413 32.500 0.186 0.000 0.715 385 K HN 0.044 nan 8.250 nan 0.000 0.439 386 F N 1.790 121.758 119.950 0.030 0.000 2.186 386 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 386 F C 2.108 177.861 175.800 -0.078 0.000 1.090 386 F CA 0.983 58.994 58.000 0.018 0.000 1.307 386 F CB -0.465 38.581 39.000 0.076 0.000 1.019 386 F HN -0.039 nan 8.300 nan 0.000 0.489 387 A N 0.380 123.019 122.820 -0.303 0.000 1.877 387 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 387 A C 2.474 180.032 177.584 -0.044 0.000 1.186 387 A CA 1.884 53.738 52.037 -0.304 0.000 0.620 387 A CB -1.579 17.303 19.000 -0.196 0.000 0.822 387 A HN 0.444 nan 8.150 nan 0.000 0.443 388 A N -0.595 122.260 122.820 0.058 0.000 1.940 388 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 388 A C 2.162 179.752 177.584 0.010 0.000 1.176 388 A CA 2.086 54.151 52.037 0.047 0.000 0.631 388 A CB -0.414 18.618 19.000 0.054 0.000 0.814 388 A HN 0.332 nan 8.150 nan 0.000 0.446 389 K N -0.004 120.397 120.400 0.001 0.000 2.026 389 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 389 K C 1.967 178.550 176.600 -0.029 0.000 1.048 389 K CA 1.684 57.986 56.287 0.026 0.000 0.929 389 K CB -0.840 31.731 32.500 0.118 0.000 0.713 389 K HN 0.293 nan 8.250 nan 0.000 0.439 390 V N 0.914 120.708 119.914 -0.200 0.000 2.407 390 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 390 V C 2.380 178.382 176.094 -0.153 0.000 1.055 390 V CA 1.919 64.058 62.300 -0.269 0.000 1.049 390 V CB -0.434 31.093 31.823 -0.492 0.000 0.662 390 V HN 0.259 nan 8.190 nan 0.000 0.455 391 S N -0.138 115.519 115.700 -0.070 0.000 2.356 391 S HA -0.097 4.373 4.470 -0.000 0.000 0.223 391 S C 1.882 176.471 174.600 -0.018 0.000 1.032 391 S CA 1.606 59.801 58.200 -0.008 0.000 1.005 391 S CB -0.318 62.933 63.200 0.085 0.000 0.867 391 S HN 0.514 nan 8.310 nan 0.000 0.449 392 I N 1.593 122.158 120.570 -0.008 0.000 2.286 392 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 392 I C 1.821 177.943 176.117 0.008 0.000 1.115 392 I CA 1.147 62.448 61.300 0.002 0.000 1.392 392 I CB -0.294 37.718 38.000 0.018 0.000 1.065 392 I HN 0.170 nan 8.210 nan 0.000 0.418 393 D N -0.350 120.060 120.400 0.016 0.000 2.194 393 D HA -0.085 4.555 4.640 -0.000 0.000 0.204 393 D C 2.109 178.403 176.300 -0.010 0.000 0.964 393 D CA 1.899 55.923 54.000 0.039 0.000 0.846 393 D CB 0.049 40.930 40.800 0.135 0.000 0.962 393 D HN 0.414 nan 8.370 nan 0.000 0.490 394 T N -4.579 109.936 114.554 -0.065 0.000 2.966 394 T HA 0.125 4.475 4.350 -0.000 0.000 0.254 394 T C 0.813 175.476 174.700 -0.063 0.000 0.961 394 T CA 0.362 62.414 62.100 -0.080 0.000 0.915 394 T CB 0.300 69.072 68.868 -0.161 0.000 1.186 394 T HN -0.136 nan 8.240 nan 0.000 0.505 395 S N 0.776 116.442 115.700 -0.056 0.000 3.587 395 S HA -0.160 4.310 4.470 -0.000 0.000 0.337 395 S C 0.939 175.509 174.600 -0.051 0.000 1.119 395 S CA 0.779 58.951 58.200 -0.046 0.000 0.976 395 S CB -2.017 61.152 63.200 -0.052 0.000 0.922 395 S HN 0.681 nan 8.310 nan 0.000 0.503 396 S N -0.202 115.457 115.700 -0.068 0.000 2.539 396 S HA 0.381 4.851 4.470 -0.000 0.000 0.221 396 S C 0.475 175.033 174.600 -0.070 0.000 0.987 396 S CA -0.152 58.005 58.200 -0.072 0.000 0.929 396 S CB 0.278 63.419 63.200 -0.097 0.000 0.832 396 S HN 0.478 nan 8.310 nan 0.000 0.492 397 L N 1.985 123.167 121.223 -0.069 0.000 2.322 397 L HA 0.591 4.931 4.340 -0.000 0.000 0.269 397 L C -0.195 176.627 176.870 -0.080 0.000 1.012 397 L CA -0.886 53.881 54.840 -0.121 0.000 0.815 397 L CB 1.472 43.386 42.059 -0.243 0.000 1.295 397 L HN 0.152 nan 8.230 nan 0.000 0.438 398 Q N 0.346 120.062 119.800 -0.140 0.000 2.413 398 Q HA 0.582 4.921 4.340 -0.000 0.000 0.276 398 Q C -1.973 173.908 176.000 -0.197 0.000 1.099 398 Q CA -0.910 54.888 55.803 -0.009 0.000 0.814 398 Q CB 2.244 31.113 28.738 0.217 0.000 1.379 398 Q HN 0.405 nan 8.270 nan 0.000 0.436 399 Y N -0.089 120.250 120.300 0.064 0.000 2.409 399 Y HA 0.488 5.038 4.550 -0.000 0.000 0.343 399 Y C -0.539 175.449 175.900 0.147 0.000 0.973 399 Y CA -0.758 57.414 58.100 0.121 0.000 1.064 399 Y CB 2.467 41.024 38.460 0.162 0.000 1.207 399 Y HN 0.634 nan 8.280 nan 0.000 0.452 400 E N 1.150 121.418 120.200 0.112 0.000 2.292 400 E HA 0.176 4.526 4.350 -0.000 0.000 0.272 400 E C -1.257 175.174 176.600 -0.282 0.000 0.881 400 E CA -1.234 55.191 56.400 0.041 0.000 0.754 400 E CB 1.763 31.588 29.700 0.209 0.000 1.201 400 E HN 0.398 nan 8.360 nan 0.000 0.425 401 N N 2.357 120.821 118.700 -0.393 0.000 2.399 401 N HA -0.083 4.657 4.740 -0.000 0.000 0.284 401 N C 0.241 175.651 175.510 -0.166 0.000 1.283 401 N CA 0.469 53.291 53.050 -0.379 0.000 0.972 401 N CB 0.362 38.773 38.487 -0.127 0.000 1.328 401 N HN 0.536 nan 8.380 nan 0.000 0.486 402 D N 1.865 122.225 120.400 -0.067 0.000 2.224 402 D HA -0.090 4.550 4.640 -0.000 0.000 0.205 402 D C 0.536 176.819 176.300 -0.029 0.000 0.965 402 D CA 0.986 55.016 54.000 0.051 0.000 0.852 402 D CB 0.292 41.137 40.800 0.074 0.000 0.947 402 D HN 0.410 nan 8.370 nan 0.000 0.494 403 D N -0.496 119.865 120.400 -0.064 0.000 2.310 403 D HA -0.077 4.563 4.640 -0.000 0.000 0.212 403 D C 1.748 177.843 176.300 -0.341 0.000 0.965 403 D CA 0.296 54.238 54.000 -0.097 0.000 0.879 403 D CB 0.245 41.054 40.800 0.015 0.000 0.921 403 D HN 0.289 nan 8.370 nan 0.000 0.510 404 L N -0.725 120.263 121.223 -0.392 0.000 2.349 404 L HA 0.182 4.522 4.340 -0.000 0.000 0.200 404 L C 1.983 178.587 176.870 -0.444 0.000 1.064 404 L CA 0.900 55.388 54.840 -0.587 0.000 0.821 404 L CB -0.160 41.602 42.059 -0.495 0.000 1.027 404 L HN -0.160 nan 8.230 nan 0.000 0.476 405 M N -0.668 118.682 119.600 -0.416 0.000 2.193 405 M HA -0.082 4.398 4.480 -0.000 0.000 0.265 405 M C 2.374 178.404 176.300 -0.450 0.000 1.071 405 M CA 1.544 56.528 55.300 -0.527 0.000 1.140 405 M CB -0.408 31.814 32.600 -0.631 0.000 1.369 405 M HN 0.217 nan 8.290 nan 0.000 0.423 406 R N 0.969 121.346 120.500 -0.205 0.000 2.094 406 R HA -0.154 4.185 4.340 -0.000 0.000 0.239 406 R C -0.929 175.369 176.300 -0.002 0.000 1.137 406 R CA 1.949 58.065 56.100 0.027 0.000 0.943 406 R CB -1.386 29.000 30.300 0.142 0.000 0.850 406 R HN 0.170 nan 8.270 nan 0.000 0.433 407 P HA -0.072 nan 4.420 nan 0.000 0.217 407 P C 0.291 177.558 177.300 -0.054 0.000 1.151 407 P CA 1.434 64.512 63.100 -0.036 0.000 0.828 407 P CB -0.045 31.627 31.700 -0.047 0.000 0.788 408 D N -1.692 118.617 120.400 -0.151 0.000 2.144 408 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 408 D C 1.286 177.495 176.300 -0.152 0.000 0.984 408 D CA 1.220 55.104 54.000 -0.194 0.000 0.834 408 D CB -0.358 40.258 40.800 -0.307 0.000 0.955 408 D HN 0.002 nan 8.370 nan 0.000 0.465 409 F N 0.350 120.246 119.950 -0.088 0.000 2.473 409 F HA 0.202 4.729 4.527 -0.000 0.000 0.294 409 F C 1.155 176.935 175.800 -0.033 0.000 1.103 409 F CA 0.674 58.631 58.000 -0.072 0.000 1.442 409 F CB -0.746 38.186 39.000 -0.113 0.000 1.097 409 F HN 0.024 nan 8.300 nan 0.000 0.547 410 N N 1.822 120.618 118.700 0.161 0.000 2.738 410 N HA -0.242 4.498 4.740 -0.000 0.000 0.249 410 N C -0.722 174.856 175.510 0.113 0.000 1.047 410 N CA 0.264 53.375 53.050 0.103 0.000 0.707 410 N CB -1.107 37.422 38.487 0.071 0.000 0.937 410 N HN 0.344 nan 8.380 nan 0.000 0.545 411 N N 0.601 119.394 118.700 0.155 0.000 2.371 411 N HA 0.110 4.849 4.740 -0.000 0.000 0.280 411 N C -1.102 174.528 175.510 0.200 0.000 1.084 411 N CA -0.241 52.887 53.050 0.130 0.000 0.892 411 N CB 1.274 39.809 38.487 0.079 0.000 1.653 411 N HN 0.282 nan 8.380 nan 0.000 0.480 412 D N 0.024 120.492 120.400 0.113 0.000 2.424 412 D HA 0.169 4.809 4.640 -0.000 0.000 0.220 412 D C -0.260 176.019 176.300 -0.035 0.000 1.150 412 D CA -0.031 54.018 54.000 0.082 0.000 0.831 412 D CB 0.345 41.151 40.800 0.011 0.000 0.981 412 D HN 0.355 nan 8.370 nan 0.000 0.500 413 D N 0.122 120.512 120.400 -0.016 0.000 2.891 413 D HA 0.101 4.741 4.640 -0.000 0.000 0.332 413 D C -0.926 175.297 176.300 -0.128 0.000 1.369 413 D CA -0.706 53.219 54.000 -0.125 0.000 0.827 413 D CB -0.120 40.614 40.800 -0.109 0.000 1.141 413 D HN 0.304 nan 8.370 nan 0.000 0.464 414 Y N -0.783 119.441 120.300 -0.127 0.000 2.403 414 Y HA 0.829 5.379 4.550 -0.000 0.000 0.323 414 Y C -0.449 175.405 175.900 -0.078 0.000 1.226 414 Y CA -1.439 56.563 58.100 -0.164 0.000 1.235 414 Y CB 1.076 39.435 38.460 -0.168 0.000 1.248 414 Y HN -0.036 nan 8.280 nan 0.000 0.489 415 A N 2.725 125.532 122.820 -0.021 0.000 2.469 415 A HA 0.709 5.029 4.320 -0.000 0.000 0.299 415 A C -1.486 176.186 177.584 0.147 0.000 1.098 415 A CA -0.972 51.035 52.037 -0.051 0.000 0.737 415 A CB 1.155 20.107 19.000 -0.080 0.000 1.312 415 A HN 0.651 nan 8.150 nan 0.000 0.414 416 I N 1.822 122.473 120.570 0.135 0.000 2.312 416 I HA 0.415 4.585 4.170 -0.000 0.000 0.291 416 I C 0.824 177.038 176.117 0.162 0.000 1.031 416 I CA -0.050 61.368 61.300 0.196 0.000 1.293 416 I CB 0.299 38.422 38.000 0.204 0.000 1.403 416 I HN 0.693 nan 8.210 nan 0.000 0.484 417 A N 5.028 127.937 122.820 0.149 0.000 2.309 417 A HA 0.732 5.052 4.320 -0.000 0.000 0.298 417 A C 0.877 178.508 177.584 0.079 0.000 1.165 417 A CA 0.501 52.604 52.037 0.110 0.000 0.821 417 A CB 0.818 19.863 19.000 0.076 0.000 1.102 417 A HN 1.265 nan 8.150 nan 0.000 0.500 418 A N 1.430 124.287 122.820 0.062 0.000 5.218 418 A HA -0.060 4.260 4.320 -0.000 0.000 0.318 418 A C 1.953 179.653 177.584 0.194 0.000 1.887 418 A CA 2.711 54.694 52.037 -0.089 0.000 0.712 418 A CB -1.790 16.925 19.000 -0.476 0.000 1.343 418 A HN 2.490 nan 8.150 nan 0.000 0.377 419 A N -2.009 120.853 122.820 0.070 0.000 1.881 419 A HA 0.459 4.779 4.320 -0.000 0.000 0.210 419 A C 1.714 179.396 177.584 0.164 0.000 1.239 419 A CA 3.352 55.547 52.037 0.263 0.000 0.629 419 A CB -0.432 18.726 19.000 0.264 0.000 0.906 419 A HN 2.400 nan 8.150 nan 0.000 0.460 420 V N -3.293 116.694 119.914 0.121 0.000 3.486 420 V HA 0.353 4.473 4.120 -0.000 0.000 0.335 420 V C -0.289 175.929 176.094 0.207 0.000 1.506 420 V CA -0.017 62.375 62.300 0.153 0.000 1.206 420 V CB -0.107 31.770 31.823 0.091 0.000 1.049 420 V HN 0.136 nan 8.190 nan 0.000 0.502 421 S N 5.231 121.042 115.700 0.184 0.000 2.404 421 S HA 0.532 5.002 4.470 -0.000 0.000 0.309 421 S C -2.434 172.306 174.600 0.234 0.000 1.076 421 S CA -0.810 57.511 58.200 0.202 0.000 1.095 421 S CB 1.038 64.328 63.200 0.150 0.000 0.972 421 S HN 0.552 nan 8.310 nan 0.000 0.484 422 P HA 0.370 nan 4.420 nan 0.000 0.279 422 P C -0.834 176.684 177.300 0.362 0.000 1.239 422 P CA -0.547 62.806 63.100 0.421 0.000 0.789 422 P CB 0.798 32.818 31.700 0.533 0.000 0.933 423 M N 1.082 120.797 119.600 0.192 0.000 2.413 423 M HA 0.495 4.975 4.480 -0.000 0.000 0.287 423 M C -1.019 175.159 176.300 -0.204 0.000 1.186 423 M CA -0.997 54.270 55.300 -0.055 0.000 0.927 423 M CB 1.685 34.286 32.600 0.003 0.000 1.715 423 M HN -0.021 nan 8.290 nan 0.000 0.478 424 I N 2.993 123.323 120.570 -0.400 0.000 2.505 424 I HA 0.146 4.316 4.170 -0.000 0.000 0.287 424 I C 0.127 176.119 176.117 -0.207 0.000 1.104 424 I CA -0.740 60.368 61.300 -0.319 0.000 1.387 424 I CB 1.006 38.795 38.000 -0.352 0.000 1.404 424 I HN 0.480 nan 8.210 nan 0.000 0.528 425 V N 7.219 127.017 119.914 -0.194 0.000 2.539 425 V HA -0.004 4.116 4.120 -0.000 0.000 0.300 425 V C 1.431 177.354 176.094 -0.284 0.000 1.019 425 V CA 1.363 63.516 62.300 -0.244 0.000 1.160 425 V CB -0.161 31.511 31.823 -0.251 0.000 0.901 425 V HN 1.198 nan 8.190 nan 0.000 0.481 426 G N 4.390 112.927 108.800 -0.438 0.000 2.184 426 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.264 426 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.264 426 G C 0.634 175.414 174.900 -0.200 0.000 0.975 426 G CA 0.595 45.396 45.100 -0.499 0.000 0.642 426 G HN 0.716 nan 8.290 nan 0.000 0.536 427 K N -0.708 119.624 120.400 -0.114 0.000 2.477 427 K HA 0.317 4.637 4.320 -0.000 0.000 0.208 427 K C 0.491 177.084 176.600 -0.011 0.000 1.117 427 K CA 0.151 56.420 56.287 -0.031 0.000 1.039 427 K CB 1.165 33.623 32.500 -0.071 0.000 0.937 427 K HN 0.439 nan 8.250 nan 0.000 0.570 428 Q N 1.334 121.140 119.800 0.009 0.000 2.426 428 Q HA 0.446 4.786 4.340 -0.000 0.000 0.278 428 Q C -1.770 174.245 176.000 0.025 0.000 1.007 428 Q CA -0.671 55.120 55.803 -0.019 0.000 0.850 428 Q CB 1.972 30.656 28.738 -0.091 0.000 1.427 428 Q HN 0.158 nan 8.270 nan 0.000 0.391 429 M N 0.276 119.851 119.600 -0.042 0.000 2.755 429 M HA 0.616 5.096 4.480 -0.000 0.000 0.273 429 M C -1.832 174.399 176.300 -0.115 0.000 1.278 429 M CA -0.835 54.435 55.300 -0.049 0.000 0.819 429 M CB 2.554 35.095 32.600 -0.100 0.000 1.694 429 M HN 0.534 nan 8.290 nan 0.000 0.460 430 Q N 0.590 120.346 119.800 -0.075 0.000 2.394 430 Q HA 0.577 4.917 4.340 -0.000 0.000 0.273 430 Q C -1.922 174.074 176.000 -0.006 0.000 1.089 430 Q CA -0.366 55.397 55.803 -0.067 0.000 0.812 430 Q CB 3.300 32.068 28.738 0.050 0.000 1.353 430 Q HN 0.637 nan 8.270 nan 0.000 0.438 431 F N 2.438 122.288 119.950 -0.168 0.000 2.368 431 F HA 0.245 4.772 4.527 -0.000 0.000 0.362 431 F C 0.031 175.742 175.800 -0.149 0.000 1.137 431 F CA -0.911 56.783 58.000 -0.510 0.000 1.161 431 F CB 0.443 38.885 39.000 -0.930 0.000 1.265 431 F HN 0.506 nan 8.300 nan 0.000 0.530 432 F N 2.945 123.005 119.950 0.183 0.000 2.607 432 F HA 0.242 4.769 4.527 -0.000 0.000 0.374 432 F C 0.957 176.967 175.800 0.351 0.000 1.104 432 F CA -0.369 57.769 58.000 0.231 0.000 1.296 432 F CB 0.929 40.048 39.000 0.198 0.000 1.085 432 F HN 0.465 nan 8.300 nan 0.000 0.584 433 G N 3.891 112.479 108.800 -0.354 0.000 3.528 433 G HA2 0.478 4.438 3.960 -0.000 0.000 0.266 433 G HA3 0.478 4.438 3.960 -0.000 0.000 0.266 433 G C 0.520 175.229 174.900 -0.320 0.000 1.004 433 G CA 0.527 45.493 45.100 -0.224 0.000 0.853 433 G HN 1.356 nan 8.290 nan 0.000 0.501 434 A N 0.730 122.894 122.820 -1.093 0.000 5.585 434 A HA -0.013 4.307 4.320 -0.000 0.000 0.295 434 A C 0.570 178.180 177.584 0.043 0.000 1.985 434 A CA 1.549 53.345 52.037 -0.402 0.000 0.716 434 A CB -1.008 17.938 19.000 -0.090 0.000 1.237 434 A HN 1.464 nan 8.150 nan 0.000 0.371 435 R N -0.318 120.245 120.500 0.104 0.000 2.739 435 R HA 0.813 5.153 4.340 -0.000 0.000 0.271 435 R C -0.535 175.782 176.300 0.029 0.000 1.010 435 R CA 0.006 56.197 56.100 0.151 0.000 0.897 435 R CB 1.020 31.430 30.300 0.183 0.000 1.236 435 R HN 2.351 nan 8.270 nan 0.000 0.466 436 A N 1.090 123.814 122.820 -0.160 0.000 2.306 436 A HA 0.413 4.733 4.320 -0.000 0.000 0.330 436 A C -0.400 176.944 177.584 -0.399 0.000 1.146 436 A CA -0.778 51.023 52.037 -0.393 0.000 0.827 436 A CB 0.882 19.515 19.000 -0.611 0.000 1.178 436 A HN 0.689 nan 8.150 nan 0.000 0.490 437 N N 2.401 120.672 118.700 -0.714 0.000 2.482 437 N HA 0.082 4.822 4.740 -0.000 0.000 0.242 437 N C 0.649 175.882 175.510 -0.462 0.000 1.100 437 N CA -0.130 52.438 53.050 -0.804 0.000 0.946 437 N CB 0.318 38.098 38.487 -1.179 0.000 1.227 437 N HN 0.678 nan 8.380 nan 0.000 0.508 438 L N 2.476 123.470 121.223 -0.382 0.000 2.093 438 L HA -0.102 4.237 4.340 -0.000 0.000 0.208 438 L C 1.846 178.535 176.870 -0.301 0.000 1.085 438 L CA 1.110 55.744 54.840 -0.343 0.000 0.755 438 L CB -0.242 41.612 42.059 -0.342 0.000 0.904 438 L HN 0.566 nan 8.230 nan 0.000 0.435 439 A N 0.026 122.639 122.820 -0.345 0.000 1.877 439 A HA -0.283 4.037 4.320 -0.000 0.000 0.216 439 A C 2.327 179.777 177.584 -0.223 0.000 1.186 439 A CA 1.982 53.820 52.037 -0.332 0.000 0.620 439 A CB -0.459 18.207 19.000 -0.556 0.000 0.822 439 A HN 0.364 nan 8.150 nan 0.000 0.443 440 K N -0.855 119.415 120.400 -0.217 0.000 2.147 440 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 440 K C 1.863 178.200 176.600 -0.438 0.000 1.049 440 K CA 1.672 57.794 56.287 -0.275 0.000 0.936 440 K CB -0.263 32.036 32.500 -0.334 0.000 0.722 440 K HN 0.460 nan 8.250 nan 0.000 0.446 441 T N 1.349 115.693 114.554 -0.351 0.000 2.788 441 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 441 T C 1.608 176.209 174.700 -0.164 0.000 1.044 441 T CA 1.490 63.462 62.100 -0.212 0.000 1.139 441 T CB -0.093 68.737 68.868 -0.064 0.000 0.867 441 T HN 0.324 nan 8.240 nan 0.000 0.454 442 M N 0.489 119.987 119.600 -0.170 0.000 2.132 442 M HA 0.002 4.482 4.480 -0.000 0.000 0.263 442 M C 1.922 178.131 176.300 -0.152 0.000 1.065 442 M CA 1.491 56.696 55.300 -0.158 0.000 1.122 442 M CB -0.237 32.264 32.600 -0.165 0.000 1.365 442 M HN 0.215 nan 8.290 nan 0.000 0.411 443 L N -0.717 120.448 121.223 -0.097 0.000 2.083 443 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 443 L C 2.362 179.252 176.870 0.033 0.000 1.083 443 L CA 1.035 55.884 54.840 0.016 0.000 0.752 443 L CB -0.884 41.236 42.059 0.102 0.000 0.899 443 L HN 0.301 nan 8.230 nan 0.000 0.433 444 Y N 0.067 120.185 120.300 -0.302 0.000 2.224 444 Y HA -0.180 4.370 4.550 -0.000 0.000 0.289 444 Y C 2.634 177.909 175.900 -1.041 0.000 1.146 444 Y CA 0.530 58.317 58.100 -0.522 0.000 1.182 444 Y CB -1.067 37.129 38.460 -0.440 0.000 0.983 444 Y HN 0.126 nan 8.280 nan 0.000 0.524 445 A N 0.099 122.373 122.820 -0.910 0.000 1.902 445 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 445 A C 2.310 179.676 177.584 -0.363 0.000 1.181 445 A CA 1.815 53.337 52.037 -0.858 0.000 0.623 445 A CB -1.022 17.756 19.000 -0.370 0.000 0.818 445 A HN 0.433 nan 8.150 nan 0.000 0.443 446 I N -0.365 120.078 120.570 -0.213 0.000 2.617 446 I HA -0.116 4.054 4.170 -0.000 0.000 0.256 446 I C 0.895 176.972 176.117 -0.067 0.000 1.167 446 I CA 0.704 61.957 61.300 -0.078 0.000 1.469 446 I CB -0.185 37.829 38.000 0.023 0.000 1.098 446 I HN 0.229 nan 8.210 nan 0.000 0.436 447 N N 0.960 119.595 118.700 -0.109 0.000 2.251 447 N HA 0.130 4.870 4.740 -0.000 0.000 0.217 447 N C 0.916 176.349 175.510 -0.129 0.000 1.124 447 N CA 0.542 53.534 53.050 -0.097 0.000 0.843 447 N CB 0.832 39.273 38.487 -0.075 0.000 1.024 447 N HN 0.323 nan 8.380 nan 0.000 0.501 448 G N 0.786 109.512 108.800 -0.123 0.000 2.305 448 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.287 448 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.287 448 G C 1.032 175.930 174.900 -0.003 0.000 1.036 448 G CA 0.823 45.914 45.100 -0.014 0.000 0.887 448 G HN 0.678 nan 8.290 nan 0.000 0.505 449 G N -3.202 105.532 108.800 -0.110 0.000 2.179 449 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.260 449 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.260 449 G C 0.467 175.024 174.900 -0.571 0.000 0.977 449 G CA 0.556 45.527 45.100 -0.214 0.000 0.641 449 G HN 1.691 nan 8.290 nan 0.000 0.533 450 V N 1.157 120.814 119.914 -0.428 0.000 2.432 450 V HA 0.393 4.513 4.120 -0.000 0.000 0.271 450 V C 0.611 176.450 176.094 -0.424 0.000 1.046 450 V CA -0.207 61.878 62.300 -0.358 0.000 0.945 450 V CB 1.481 33.194 31.823 -0.183 0.000 0.992 450 V HN 0.421 nan 8.190 nan 0.000 0.471 451 D N 3.798 123.976 120.400 -0.370 0.000 2.450 451 D HA -0.003 4.637 4.640 -0.000 0.000 0.247 451 D C 1.461 177.762 176.300 0.002 0.000 1.162 451 D CA -0.145 53.795 54.000 -0.101 0.000 0.879 451 D CB 0.932 41.764 40.800 0.053 0.000 1.163 451 D HN 0.726 nan 8.370 nan 0.000 0.472 452 E N 4.042 124.294 120.200 0.087 0.000 2.338 452 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 452 E C 0.537 177.164 176.600 0.046 0.000 1.007 452 E CA 1.266 57.700 56.400 0.056 0.000 0.849 452 E CB 0.054 29.806 29.700 0.087 0.000 0.774 452 E HN 0.550 nan 8.360 nan 0.000 0.506 453 K N -0.122 120.316 120.400 0.062 0.000 2.306 453 K HA 0.278 4.598 4.320 -0.000 0.000 0.200 453 K C 2.218 178.839 176.600 0.034 0.000 1.083 453 K CA 0.222 56.537 56.287 0.047 0.000 0.959 453 K CB 0.373 32.908 32.500 0.059 0.000 0.994 453 K HN 0.042 nan 8.250 nan 0.000 0.492 454 L N 1.063 122.310 121.223 0.040 0.000 2.446 454 L HA 0.097 4.437 4.340 -0.000 0.000 0.219 454 L C 0.028 176.901 176.870 0.005 0.000 1.116 454 L CA 0.286 55.143 54.840 0.027 0.000 0.844 454 L CB -0.178 41.906 42.059 0.041 0.000 0.970 454 L HN 0.117 nan 8.230 nan 0.000 0.457 455 K N 1.151 121.546 120.400 -0.008 0.000 3.035 455 K HA -0.206 4.114 4.320 -0.000 0.000 0.262 455 K C -0.148 176.428 176.600 -0.039 0.000 1.024 455 K CA 0.798 57.068 56.287 -0.030 0.000 0.748 455 K CB -1.659 30.828 32.500 -0.022 0.000 1.247 455 K HN 0.489 nan 8.250 nan 0.000 0.482 456 M N -1.977 117.594 119.600 -0.048 0.000 2.591 456 M HA 0.407 4.887 4.480 -0.000 0.000 0.306 456 M C -0.379 175.865 176.300 -0.094 0.000 1.190 456 M CA -1.163 54.107 55.300 -0.050 0.000 0.889 456 M CB 2.023 34.612 32.600 -0.018 0.000 1.728 456 M HN -0.074 nan 8.290 nan 0.000 0.458 457 Q N 1.543 121.290 119.800 -0.088 0.000 2.281 457 Q HA 0.297 4.637 4.340 -0.000 0.000 0.267 457 Q C -0.747 175.188 176.000 -0.109 0.000 1.053 457 Q CA 0.190 55.918 55.803 -0.126 0.000 0.905 457 Q CB 0.966 29.650 28.738 -0.090 0.000 1.195 457 Q HN 0.754 nan 8.270 nan 0.000 0.398 458 V N 3.165 122.964 119.914 -0.192 0.000 2.840 458 V HA 0.376 4.496 4.120 -0.000 0.000 0.234 458 V C 1.040 177.072 176.094 -0.103 0.000 1.159 458 V CA 0.820 63.088 62.300 -0.053 0.000 1.194 458 V CB -0.417 31.441 31.823 0.059 0.000 0.971 458 V HN 0.813 nan 8.190 nan 0.000 0.494 459 G N 0.778 109.330 108.800 -0.413 0.000 2.588 459 G HA2 0.377 4.337 3.960 -0.000 0.000 0.278 459 G HA3 0.377 4.337 3.960 -0.000 0.000 0.278 459 G C -2.765 171.743 174.900 -0.654 0.000 1.307 459 G CA -0.962 43.568 45.100 -0.950 0.000 1.016 459 G HN 0.245 nan 8.290 nan 0.000 0.503 460 P HA 0.113 nan 4.420 nan 0.000 0.265 460 P C -0.266 176.894 177.300 -0.232 0.000 1.193 460 P CA 0.037 62.856 63.100 -0.469 0.000 0.765 460 P CB 0.521 31.890 31.700 -0.552 0.000 0.823 461 K N 2.852 123.174 120.400 -0.131 0.000 2.402 461 K HA 0.277 4.597 4.320 -0.000 0.000 0.285 461 K C -0.134 176.449 176.600 -0.030 0.000 1.054 461 K CA 0.230 56.476 56.287 -0.068 0.000 1.001 461 K CB -0.118 32.350 32.500 -0.054 0.000 0.946 461 K HN 0.617 nan 8.250 nan 0.000 0.473 462 S N 2.622 118.332 115.700 0.017 0.000 2.638 462 S HA 0.329 4.799 4.470 -0.000 0.000 0.274 462 S C -1.151 173.471 174.600 0.036 0.000 1.157 462 S CA -1.195 57.032 58.200 0.045 0.000 0.826 462 S CB 1.317 64.594 63.200 0.128 0.000 1.139 462 S HN 0.482 nan 8.310 nan 0.000 0.474 463 E N 2.604 122.819 120.200 0.026 0.000 2.316 463 E HA 0.365 4.715 4.350 -0.000 0.000 0.275 463 E C -2.159 174.448 176.600 0.012 0.000 1.029 463 E CA -1.659 54.746 56.400 0.008 0.000 0.871 463 E CB 0.590 30.289 29.700 -0.002 0.000 1.022 463 E HN 0.476 nan 8.360 nan 0.000 0.418 464 P HA 0.179 nan 4.420 nan 0.000 0.274 464 P C 0.209 177.500 177.300 -0.014 0.000 1.231 464 P CA -0.262 62.826 63.100 -0.021 0.000 0.790 464 P CB 0.824 32.504 31.700 -0.033 0.000 0.951 465 I N 2.440 123.001 120.570 -0.015 0.000 2.598 465 I HA 0.013 4.183 4.170 -0.000 0.000 0.284 465 I C 1.300 177.414 176.117 -0.004 0.000 1.140 465 I CA 0.244 61.539 61.300 -0.008 0.000 1.420 465 I CB 0.036 38.032 38.000 -0.008 0.000 1.387 465 I HN 0.123 nan 8.210 nan 0.000 0.553 466 K N 4.760 125.157 120.400 -0.006 0.000 2.106 466 K HA 0.773 5.093 4.320 -0.000 0.000 0.246 466 K C 0.113 176.712 176.600 -0.002 0.000 0.987 466 K CA -0.533 55.750 56.287 -0.006 0.000 0.904 466 K CB 1.448 33.942 32.500 -0.009 0.000 1.071 466 K HN 0.870 nan 8.250 nan 0.000 0.453 467 G N 1.260 110.059 108.800 -0.002 0.000 2.742 467 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.686 467 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.686 467 G C -0.203 174.701 174.900 0.007 0.000 1.220 467 G CA -0.247 44.855 45.100 0.002 0.000 0.783 467 G HN 0.622 nan 8.290 nan 0.000 0.646 468 D N -1.313 119.091 120.400 0.006 0.000 2.363 468 D HA 0.223 4.863 4.640 -0.000 0.000 0.220 468 D C 0.940 177.253 176.300 0.022 0.000 0.994 468 D CA 0.820 54.825 54.000 0.009 0.000 0.890 468 D CB 0.564 41.367 40.800 0.004 0.000 0.906 468 D HN 0.601 nan 8.370 nan 0.000 0.530 469 V N 1.015 120.944 119.914 0.024 0.000 2.577 469 V HA 0.215 4.334 4.120 -0.000 0.000 0.303 469 V C -0.601 175.510 176.094 0.028 0.000 1.042 469 V CA -1.113 61.205 62.300 0.031 0.000 0.872 469 V CB 2.087 33.923 31.823 0.022 0.000 0.998 469 V HN -0.006 nan 8.190 nan 0.000 0.423 470 L N 4.422 125.667 121.223 0.037 0.000 2.426 470 L HA 0.331 4.671 4.340 -0.000 0.000 0.271 470 L C 0.520 177.392 176.870 0.003 0.000 1.169 470 L CA 0.647 55.499 54.840 0.020 0.000 0.836 470 L CB 0.382 42.450 42.059 0.016 0.000 1.112 470 L HN 0.761 nan 8.230 nan 0.000 0.465 471 N N 1.710 120.407 118.700 -0.006 0.000 2.372 471 N HA 0.007 4.747 4.740 -0.000 0.000 0.285 471 N C 0.606 176.113 175.510 -0.005 0.000 1.008 471 N CA -0.447 52.603 53.050 0.000 0.000 0.880 471 N CB 0.951 39.434 38.487 -0.007 0.000 1.239 471 N HN 0.588 nan 8.380 nan 0.000 0.484 472 Y N 4.623 124.867 120.300 -0.094 0.000 2.081 472 Y HA -0.265 4.285 4.550 -0.000 0.000 0.280 472 Y C 1.446 177.300 175.900 -0.076 0.000 1.163 472 Y CA 2.021 60.057 58.100 -0.106 0.000 1.135 472 Y CB -0.003 38.367 38.460 -0.150 0.000 0.970 472 Y HN 0.609 nan 8.280 nan 0.000 0.498 473 D N -0.092 120.190 120.400 -0.197 0.000 2.144 473 D HA -0.206 4.434 4.640 -0.000 0.000 0.199 473 D C 2.022 178.190 176.300 -0.220 0.000 0.984 473 D CA 1.660 55.508 54.000 -0.254 0.000 0.834 473 D CB -0.269 40.495 40.800 -0.060 0.000 0.955 473 D HN 0.653 nan 8.370 nan 0.000 0.465 474 E N 0.666 120.779 120.200 -0.144 0.000 2.028 474 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 474 E C 2.249 178.776 176.600 -0.122 0.000 0.984 474 E CA 0.570 56.908 56.400 -0.102 0.000 0.800 474 E CB 0.205 29.869 29.700 -0.060 0.000 0.758 474 E HN -0.059 nan 8.360 nan 0.000 0.448 475 V N 1.166 120.990 119.914 -0.151 0.000 2.287 475 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 475 V C 2.499 178.482 176.094 -0.185 0.000 1.053 475 V CA 1.986 64.196 62.300 -0.149 0.000 1.027 475 V CB -0.475 31.261 31.823 -0.145 0.000 0.646 475 V HN 0.410 nan 8.190 nan 0.000 0.447 476 M N 0.076 119.477 119.600 -0.332 0.000 2.213 476 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 476 M C 2.016 178.221 176.300 -0.157 0.000 1.062 476 M CA 1.851 56.959 55.300 -0.320 0.000 1.105 476 M CB -0.639 31.584 32.600 -0.628 0.000 1.385 476 M HN 0.451 nan 8.290 nan 0.000 0.417 477 E N -0.748 119.370 120.200 -0.137 0.000 2.072 477 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 477 E C 1.897 178.518 176.600 0.036 0.000 0.985 477 E CA 0.896 57.267 56.400 -0.048 0.000 0.801 477 E CB 0.103 29.769 29.700 -0.057 0.000 0.750 477 E HN 0.372 nan 8.360 nan 0.000 0.452 478 R N 0.233 120.756 120.500 0.039 0.000 2.090 478 R HA -0.067 4.273 4.340 -0.000 0.000 0.228 478 R C 2.301 178.746 176.300 0.242 0.000 1.110 478 R CA 1.120 57.313 56.100 0.155 0.000 0.973 478 R CB -0.823 29.526 30.300 0.083 0.000 0.869 478 R HN 0.371 nan 8.270 nan 0.000 0.440 479 M N 1.136 120.791 119.600 0.093 0.000 2.159 479 M HA -0.169 4.311 4.480 -0.000 0.000 0.263 479 M C 1.858 178.261 176.300 0.171 0.000 1.063 479 M CA 1.733 57.091 55.300 0.098 0.000 1.110 479 M CB -0.194 32.399 32.600 -0.012 0.000 1.374 479 M HN 0.036 nan 8.290 nan 0.000 0.411 480 D N -0.871 119.606 120.400 0.129 0.000 2.123 480 D HA -0.279 4.361 4.640 -0.000 0.000 0.196 480 D C 1.735 178.154 176.300 0.197 0.000 0.992 480 D CA 1.668 55.747 54.000 0.133 0.000 0.833 480 D CB -0.156 40.692 40.800 0.080 0.000 0.954 480 D HN 0.559 nan 8.370 nan 0.000 0.455 481 H N -0.354 118.801 119.070 0.141 0.000 2.321 481 H HA -0.100 4.456 4.556 -0.000 0.000 0.300 481 H C 1.905 177.320 175.328 0.145 0.000 1.087 481 H CA 1.717 57.832 56.048 0.112 0.000 1.319 481 H CB -0.791 29.020 29.762 0.083 0.000 1.379 481 H HN 0.106 nan 8.280 nan 0.000 0.501 482 F N -0.283 119.673 119.950 0.010 0.000 2.333 482 F HA -0.139 4.388 4.527 -0.000 0.000 0.300 482 F C 2.510 178.440 175.800 0.216 0.000 1.083 482 F CA 0.963 59.001 58.000 0.063 0.000 1.395 482 F CB -0.184 38.876 39.000 0.100 0.000 1.056 482 F HN 0.224 nan 8.300 nan 0.000 0.529 483 M N -0.692 119.091 119.600 0.306 0.000 2.319 483 M HA -0.167 4.313 4.480 -0.000 0.000 0.265 483 M C 1.526 177.963 176.300 0.230 0.000 1.068 483 M CA 1.104 56.587 55.300 0.304 0.000 1.118 483 M CB -0.275 32.494 32.600 0.282 0.000 1.395 483 M HN -0.036 nan 8.290 nan 0.000 0.435 484 D N -0.459 120.010 120.400 0.115 0.000 2.097 484 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 484 D C 1.486 177.802 176.300 0.027 0.000 0.984 484 D CA 1.123 55.142 54.000 0.031 0.000 0.826 484 D CB -0.305 40.497 40.800 0.003 0.000 0.973 484 D HN 0.503 nan 8.370 nan 0.000 0.460 485 W N 1.596 122.789 121.300 -0.180 0.000 2.355 485 W HA -0.179 4.481 4.660 -0.000 0.000 0.309 485 W C 2.060 178.569 176.519 -0.017 0.000 1.206 485 W CA 0.945 58.191 57.345 -0.164 0.000 1.284 485 W CB -0.608 28.660 29.460 -0.320 0.000 1.145 485 W HN -0.029 nan 8.180 nan 0.000 0.502 486 L N 1.931 123.111 121.223 -0.071 0.000 2.042 486 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 486 L C 2.501 179.330 176.870 -0.069 0.000 1.076 486 L CA 2.958 57.642 54.840 -0.260 0.000 0.749 486 L CB -1.505 40.625 42.059 0.119 0.000 0.893 486 L HN 0.111 nan 8.230 nan 0.000 0.432 487 A N -0.657 122.204 122.820 0.069 0.000 1.908 487 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 487 A C 2.471 179.998 177.584 -0.095 0.000 1.181 487 A CA 2.142 54.147 52.037 -0.054 0.000 0.627 487 A CB -0.644 18.202 19.000 -0.258 0.000 0.818 487 A HN 0.530 nan 8.150 nan 0.000 0.445 488 K N -1.012 119.302 120.400 -0.143 0.000 2.025 488 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 488 K C 2.260 178.765 176.600 -0.157 0.000 1.049 488 K CA 1.425 57.629 56.287 -0.138 0.000 0.933 488 K CB -0.154 32.273 32.500 -0.122 0.000 0.714 488 K HN 0.404 nan 8.250 nan 0.000 0.438 489 Q N -0.373 119.243 119.800 -0.307 0.000 2.124 489 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 489 Q C 2.014 177.954 176.000 -0.100 0.000 0.977 489 Q CA 1.263 56.888 55.803 -0.297 0.000 0.850 489 Q CB -0.477 27.900 28.738 -0.602 0.000 0.901 489 Q HN 0.424 nan 8.270 nan 0.000 0.429 490 Y N 1.133 121.311 120.300 -0.202 0.000 2.133 490 Y HA -0.157 4.393 4.550 -0.000 0.000 0.287 490 Y C 2.142 178.018 175.900 -0.040 0.000 1.134 490 Y CA 0.588 58.637 58.100 -0.086 0.000 1.133 490 Y CB -0.378 38.088 38.460 0.011 0.000 0.987 490 Y HN -0.013 nan 8.280 nan 0.000 0.502 491 I N -0.375 120.201 120.570 0.010 0.000 2.226 491 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 491 I C 2.180 178.302 176.117 0.009 0.000 1.100 491 I CA 1.700 62.966 61.300 -0.056 0.000 1.374 491 I CB -1.597 36.358 38.000 -0.075 0.000 1.057 491 I HN 0.182 nan 8.210 nan 0.000 0.413 492 T N 1.365 115.923 114.554 0.006 0.000 2.746 492 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 492 T C 2.057 176.780 174.700 0.039 0.000 1.039 492 T CA 1.601 63.708 62.100 0.012 0.000 1.142 492 T CB -0.293 68.564 68.868 -0.018 0.000 0.866 492 T HN 0.452 nan 8.240 nan 0.000 0.444 493 A N 1.231 124.083 122.820 0.054 0.000 1.902 493 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 493 A C 2.306 179.964 177.584 0.123 0.000 1.181 493 A CA 1.199 53.305 52.037 0.116 0.000 0.623 493 A CB -0.801 18.246 19.000 0.077 0.000 0.818 493 A HN 0.485 nan 8.150 nan 0.000 0.443 494 L N -0.470 120.817 121.223 0.106 0.000 2.093 494 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 494 L C 2.245 179.177 176.870 0.103 0.000 1.085 494 L CA 0.944 55.849 54.840 0.108 0.000 0.755 494 L CB -0.713 41.411 42.059 0.109 0.000 0.904 494 L HN 0.353 nan 8.230 nan 0.000 0.435 495 N N 0.680 119.432 118.700 0.086 0.000 2.120 495 N HA -0.153 4.586 4.740 -0.000 0.000 0.188 495 N C 1.898 177.386 175.510 -0.038 0.000 1.024 495 N CA 1.415 54.520 53.050 0.091 0.000 0.852 495 N CB -0.204 38.343 38.487 0.099 0.000 1.003 495 N HN 0.312 nan 8.380 nan 0.000 0.424 496 I N 0.904 121.443 120.570 -0.052 0.000 2.142 496 I HA -0.216 3.953 4.170 -0.000 0.000 0.240 496 I C 2.110 178.135 176.117 -0.154 0.000 1.078 496 I CA 0.827 62.052 61.300 -0.124 0.000 1.343 496 I CB -0.229 37.719 38.000 -0.086 0.000 1.046 496 I HN 0.039 nan 8.210 nan 0.000 0.405 497 I N 0.202 120.677 120.570 -0.158 0.000 2.118 497 I HA -0.359 3.811 4.170 -0.000 0.000 0.241 497 I C 2.589 178.547 176.117 -0.265 0.000 1.070 497 I CA 1.552 62.732 61.300 -0.201 0.000 1.327 497 I CB -0.677 37.161 38.000 -0.270 0.000 1.034 497 I HN 0.344 nan 8.210 nan 0.000 0.405 498 H N -1.111 117.822 119.070 -0.229 0.000 2.495 498 H HA -0.157 4.399 4.556 -0.000 0.000 0.287 498 H C 1.946 176.903 175.328 -0.618 0.000 1.033 498 H CA 1.296 57.047 56.048 -0.495 0.000 1.307 498 H CB -0.287 28.836 29.762 -1.065 0.000 1.401 498 H HN 0.452 nan 8.280 nan 0.000 0.555 499 Y N 1.097 120.861 120.300 -0.893 0.000 2.163 499 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 499 Y C 2.387 178.049 175.900 -0.396 0.000 1.136 499 Y CA 1.190 58.656 58.100 -1.056 0.000 1.147 499 Y CB 0.025 38.016 38.460 -0.783 0.000 0.987 499 Y HN -0.044 nan 8.280 nan 0.000 0.509 500 M N -0.705 118.933 119.600 0.064 0.000 2.175 500 M HA -0.203 4.277 4.480 -0.000 0.000 0.264 500 M C 2.107 178.536 176.300 0.214 0.000 1.063 500 M CA 1.521 56.929 55.300 0.181 0.000 1.119 500 M CB -1.472 31.257 32.600 0.216 0.000 1.377 500 M HN 0.430 nan 8.290 nan 0.000 0.415 501 H N 0.496 119.596 119.070 0.050 0.000 2.389 501 H HA -0.102 4.454 4.556 -0.000 0.000 0.299 501 H C 1.193 176.496 175.328 -0.042 0.000 1.081 501 H CA 1.413 57.368 56.048 -0.154 0.000 1.345 501 H CB 0.161 29.689 29.762 -0.391 0.000 1.393 501 H HN 0.260 nan 8.280 nan 0.000 0.520 502 D N 0.196 120.664 120.400 0.114 0.000 2.178 502 D HA -0.103 4.536 4.640 -0.000 0.000 0.202 502 D C 2.282 178.566 176.300 -0.025 0.000 0.974 502 D CA 0.840 54.934 54.000 0.156 0.000 0.841 502 D CB 0.051 40.933 40.800 0.137 0.000 0.953 502 D HN 0.339 nan 8.370 nan 0.000 0.478 503 K N -0.842 119.422 120.400 -0.228 0.000 2.044 503 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 503 K C 1.172 177.504 176.600 -0.447 0.000 1.049 503 K CA 0.926 56.937 56.287 -0.461 0.000 0.945 503 K CB 0.077 32.119 32.500 -0.762 0.000 0.724 503 K HN 0.120 nan 8.250 nan 0.000 0.440 504 Y N -1.107 119.214 120.300 0.034 0.000 2.442 504 Y HA 0.274 4.824 4.550 -0.000 0.000 0.250 504 Y C 0.711 176.617 175.900 0.011 0.000 1.113 504 Y CA -0.274 57.856 58.100 0.051 0.000 1.273 504 Y CB 1.254 39.769 38.460 0.091 0.000 1.138 504 Y HN -0.090 nan 8.280 nan 0.000 0.522 505 S N -0.219 115.517 115.700 0.060 0.000 2.612 505 S HA 0.144 4.614 4.470 -0.000 0.000 0.203 505 S C -1.224 173.445 174.600 0.114 0.000 0.965 505 S CA -0.497 57.697 58.200 -0.010 0.000 1.157 505 S CB -0.743 62.315 63.200 -0.238 0.000 1.526 505 S HN 0.216 nan 8.310 nan 0.000 0.423 506 Y N 2.757 123.058 120.300 0.002 0.000 2.544 506 Y HA 0.236 4.786 4.550 -0.000 0.000 0.330 506 Y C 0.402 176.308 175.900 0.009 0.000 1.136 506 Y CA 0.092 58.209 58.100 0.027 0.000 1.417 506 Y CB 0.480 38.932 38.460 -0.014 0.000 1.229 506 Y HN 0.347 nan 8.280 nan 0.000 0.532 507 E N 5.412 125.315 120.200 -0.495 0.000 2.222 507 E HA 0.187 4.537 4.350 -0.000 0.000 0.312 507 E C 1.179 177.511 176.600 -0.446 0.000 1.263 507 E CA 0.492 56.673 56.400 -0.365 0.000 1.356 507 E CB -0.180 29.369 29.700 -0.252 0.000 1.180 507 E HN 0.760 nan 8.360 nan 0.000 0.494 508 A N 1.638 124.306 122.820 -0.254 0.000 1.884 508 A HA -0.319 4.001 4.320 -0.000 0.000 0.219 508 A C 2.272 179.841 177.584 -0.025 0.000 1.197 508 A CA 2.297 54.305 52.037 -0.049 0.000 0.637 508 A CB -0.812 18.243 19.000 0.091 0.000 0.827 508 A HN 0.554 nan 8.150 nan 0.000 0.450 509 S N -0.748 114.943 115.700 -0.015 0.000 2.419 509 S HA -0.079 4.391 4.470 -0.000 0.000 0.233 509 S C 1.699 176.337 174.600 0.064 0.000 1.016 509 S CA 1.621 59.837 58.200 0.026 0.000 0.974 509 S CB -0.484 62.731 63.200 0.026 0.000 0.786 509 S HN 0.283 nan 8.310 nan 0.000 0.492 510 L N 0.623 121.868 121.223 0.036 0.000 2.102 510 L HA 0.237 4.577 4.340 -0.000 0.000 0.202 510 L C 2.750 179.676 176.870 0.093 0.000 1.076 510 L CA 1.012 55.911 54.840 0.098 0.000 0.761 510 L CB -0.618 41.495 42.059 0.091 0.000 0.921 510 L HN 0.241 nan 8.230 nan 0.000 0.444 511 M N -0.478 119.068 119.600 -0.090 0.000 2.358 511 M HA -0.051 4.429 4.480 -0.000 0.000 0.264 511 M C 2.337 178.674 176.300 0.063 0.000 1.064 511 M CA 1.322 56.532 55.300 -0.152 0.000 1.093 511 M CB -1.445 30.998 32.600 -0.261 0.000 1.401 511 M HN 0.300 nan 8.290 nan 0.000 0.440 512 A N -0.020 122.846 122.820 0.077 0.000 2.067 512 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 512 A C 1.819 179.458 177.584 0.092 0.000 1.158 512 A CA 0.829 52.919 52.037 0.089 0.000 0.661 512 A CB -0.582 18.458 19.000 0.067 0.000 0.801 512 A HN 0.499 nan 8.150 nan 0.000 0.452 513 L N -0.182 121.104 121.223 0.106 0.000 2.984 513 L HA 0.306 4.646 4.340 -0.000 0.000 0.246 513 L C -0.186 176.656 176.870 -0.045 0.000 1.268 513 L CA -0.399 54.448 54.840 0.012 0.000 1.054 513 L CB -0.310 41.691 42.059 -0.098 0.000 1.393 513 L HN 0.325 nan 8.230 nan 0.000 0.532 514 H N -1.982 117.050 119.070 -0.064 0.000 2.907 514 H HA 0.401 4.957 4.556 -0.000 0.000 0.361 514 H C -0.518 174.791 175.328 -0.031 0.000 1.194 514 H CA -0.844 55.165 56.048 -0.065 0.000 1.152 514 H CB 1.188 30.913 29.762 -0.061 0.000 1.867 514 H HN -0.096 nan 8.280 nan 0.000 0.561 515 D N -0.112 120.353 120.400 0.108 0.000 2.369 515 D HA 0.038 4.678 4.640 -0.000 0.000 0.241 515 D C 1.474 177.812 176.300 0.064 0.000 1.271 515 D CA -0.181 53.854 54.000 0.057 0.000 0.942 515 D CB 0.761 41.578 40.800 0.028 0.000 1.129 515 D HN 0.457 nan 8.370 nan 0.000 0.476 516 R N -0.285 120.239 120.500 0.040 0.000 2.083 516 R HA -0.105 4.235 4.340 -0.000 0.000 0.237 516 R C -0.430 175.881 176.300 0.020 0.000 1.137 516 R CA 1.112 57.233 56.100 0.034 0.000 0.951 516 R CB 0.165 30.477 30.300 0.020 0.000 0.851 516 R HN 0.421 nan 8.270 nan 0.000 0.434 517 D N 0.451 120.855 120.400 0.007 0.000 2.256 517 D HA 0.242 4.882 4.640 -0.000 0.000 0.240 517 D C -1.100 175.192 176.300 -0.013 0.000 1.062 517 D CA -0.327 53.666 54.000 -0.012 0.000 0.832 517 D CB 2.345 43.131 40.800 -0.022 0.000 1.135 517 D HN -0.127 nan 8.370 nan 0.000 0.484 518 V N 3.174 123.069 119.914 -0.033 0.000 2.495 518 V HA 0.361 4.481 4.120 -0.000 0.000 0.298 518 V C 0.583 176.624 176.094 -0.087 0.000 1.031 518 V CA -0.877 61.398 62.300 -0.042 0.000 0.871 518 V CB 1.828 33.611 31.823 -0.067 0.000 0.988 518 V HN 0.405 nan 8.190 nan 0.000 0.432 519 I N 5.086 125.608 120.570 -0.080 0.000 2.556 519 I HA 0.324 4.494 4.170 -0.000 0.000 0.284 519 I C 0.467 176.483 176.117 -0.167 0.000 1.114 519 I CA 0.178 61.414 61.300 -0.106 0.000 1.418 519 I CB 0.363 38.319 38.000 -0.073 0.000 1.394 519 I HN 0.514 nan 8.210 nan 0.000 0.552 520 R N 3.792 124.149 120.500 -0.238 0.000 2.621 520 R HA 0.563 4.903 4.340 -0.000 0.000 0.292 520 R C -0.738 175.371 176.300 -0.318 0.000 0.969 520 R CA -0.744 55.115 56.100 -0.402 0.000 0.887 520 R CB 2.287 32.155 30.300 -0.720 0.000 1.180 520 R HN 0.688 nan 8.270 nan 0.000 0.450 521 T N -0.774 113.608 114.554 -0.287 0.000 2.908 521 T HA 0.486 4.836 4.350 -0.000 0.000 0.290 521 T C -0.307 174.322 174.700 -0.119 0.000 1.034 521 T CA -0.935 61.073 62.100 -0.153 0.000 1.010 521 T CB 1.676 70.503 68.868 -0.068 0.000 1.068 521 T HN 0.348 nan 8.240 nan 0.000 0.481 522 M N 3.231 122.814 119.600 -0.029 0.000 2.289 522 M HA 0.601 5.081 4.480 -0.000 0.000 0.354 522 M C -0.048 176.251 176.300 -0.002 0.000 1.210 522 M CA -0.860 54.464 55.300 0.040 0.000 1.174 522 M CB -0.420 32.217 32.600 0.062 0.000 1.297 522 M HN 0.887 nan 8.290 nan 0.000 0.423 523 A N 4.475 127.317 122.820 0.037 0.000 2.410 523 A HA 0.446 4.766 4.320 -0.000 0.000 0.292 523 A C -0.375 177.221 177.584 0.020 0.000 1.232 523 A CA -0.422 51.651 52.037 0.061 0.000 0.893 523 A CB -0.598 18.492 19.000 0.151 0.000 1.131 523 A HN 0.873 nan 8.150 nan 0.000 0.530 524 C N 2.901 122.200 119.300 -0.002 0.000 2.295 524 C HA 0.710 5.170 4.460 -0.000 0.000 0.331 524 C C 1.167 176.315 174.990 0.263 0.000 1.280 524 C CA -0.483 58.531 59.018 -0.007 0.000 1.746 524 C CB 0.502 28.175 27.740 -0.111 0.000 2.328 524 C HN 0.985 nan 8.230 nan 0.000 0.521 525 G N 2.923 111.955 108.800 0.386 0.000 2.410 525 G HA2 0.688 4.648 3.960 -0.000 0.000 0.330 525 G HA3 0.688 4.648 3.960 -0.000 0.000 0.330 525 G C -0.884 174.147 174.900 0.218 0.000 1.142 525 G CA -0.274 44.997 45.100 0.285 0.000 0.902 525 G HN 0.576 nan 8.290 nan 0.000 0.491 526 I N 1.165 121.797 120.570 0.103 0.000 2.436 526 I HA 0.527 4.697 4.170 -0.000 0.000 0.289 526 I C 0.268 176.389 176.117 0.006 0.000 1.010 526 I CA -0.879 60.391 61.300 -0.051 0.000 1.098 526 I CB 1.212 39.133 38.000 -0.131 0.000 1.266 526 I HN 0.567 nan 8.210 nan 0.000 0.434 527 A N 3.839 126.656 122.820 -0.006 0.000 2.340 527 A HA 0.732 5.052 4.320 -0.000 0.000 0.331 527 A C 0.688 178.260 177.584 -0.019 0.000 1.140 527 A CA 0.054 52.159 52.037 0.114 0.000 0.801 527 A CB 1.247 20.454 19.000 0.346 0.000 1.234 527 A HN 1.278 nan 8.150 nan 0.000 0.469 528 G N 0.505 109.294 108.800 -0.020 0.000 2.176 528 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.252 528 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.252 528 G C 0.730 175.410 174.900 -0.366 0.000 1.024 528 G CA 0.347 45.177 45.100 -0.451 0.000 0.755 528 G HN 1.008 nan 8.290 nan 0.000 0.507 529 L N 0.837 121.928 121.223 -0.220 0.000 1.989 529 L HA -0.181 4.158 4.340 -0.000 0.000 0.211 529 L C 3.058 179.754 176.870 -0.289 0.000 1.071 529 L CA 3.137 57.831 54.840 -0.243 0.000 0.749 529 L CB -0.663 41.267 42.059 -0.215 0.000 0.890 529 L HN 0.719 nan 8.230 nan 0.000 0.431 530 S N -1.392 114.154 115.700 -0.257 0.000 2.402 530 S HA -0.130 4.340 4.470 -0.000 0.000 0.229 530 S C 1.839 176.361 174.600 -0.129 0.000 1.021 530 S CA 1.192 59.274 58.200 -0.197 0.000 0.974 530 S CB -0.789 62.405 63.200 -0.010 0.000 0.800 530 S HN 0.286 nan 8.310 nan 0.000 0.484 531 V N 2.367 122.152 119.914 -0.216 0.000 2.358 531 V HA -0.073 4.047 4.120 -0.000 0.000 0.246 531 V C 3.143 179.101 176.094 -0.227 0.000 1.047 531 V CA 1.634 63.789 62.300 -0.242 0.000 1.035 531 V CB -1.461 30.058 31.823 -0.507 0.000 0.658 531 V HN 0.672 nan 8.190 nan 0.000 0.452 532 A N -0.027 122.632 122.820 -0.268 0.000 1.873 532 A HA -0.044 4.276 4.320 -0.000 0.000 0.215 532 A C 2.429 179.927 177.584 -0.144 0.000 1.186 532 A CA 1.927 53.834 52.037 -0.216 0.000 0.616 532 A CB -0.799 18.065 19.000 -0.227 0.000 0.823 532 A HN 0.537 nan 8.150 nan 0.000 0.442 533 A N 0.175 122.912 122.820 -0.138 0.000 1.877 533 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 533 A C 1.775 179.361 177.584 0.003 0.000 1.186 533 A CA 1.990 53.983 52.037 -0.072 0.000 0.620 533 A CB -0.679 18.239 19.000 -0.136 0.000 0.822 533 A HN 0.439 nan 8.150 nan 0.000 0.443 534 D N -0.232 120.187 120.400 0.030 0.000 2.144 534 D HA -0.062 4.577 4.640 -0.000 0.000 0.199 534 D C 2.275 178.543 176.300 -0.054 0.000 0.984 534 D CA 1.431 55.512 54.000 0.135 0.000 0.834 534 D CB -0.321 40.617 40.800 0.230 0.000 0.955 534 D HN 0.370 nan 8.370 nan 0.000 0.465 535 S N 0.153 115.779 115.700 -0.123 0.000 2.368 535 S HA -0.061 4.409 4.470 -0.000 0.000 0.225 535 S C 2.139 176.608 174.600 -0.217 0.000 1.030 535 S CA 0.508 58.569 58.200 -0.231 0.000 0.999 535 S CB -0.149 62.907 63.200 -0.239 0.000 0.844 535 S HN 0.248 nan 8.310 nan 0.000 0.459 536 L N 0.731 121.891 121.223 -0.105 0.000 2.093 536 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 536 L C 2.702 179.561 176.870 -0.018 0.000 1.085 536 L CA 1.069 55.913 54.840 0.007 0.000 0.755 536 L CB -0.509 41.619 42.059 0.115 0.000 0.904 536 L HN 0.321 nan 8.230 nan 0.000 0.435 537 S N -0.302 115.385 115.700 -0.022 0.000 2.368 537 S HA -0.178 4.292 4.470 -0.000 0.000 0.225 537 S C 2.148 176.710 174.600 -0.062 0.000 1.030 537 S CA 1.254 59.509 58.200 0.092 0.000 0.999 537 S CB -0.078 63.287 63.200 0.274 0.000 0.844 537 S HN 0.436 nan 8.310 nan 0.000 0.459 538 A N 1.389 123.870 122.820 -0.565 0.000 1.902 538 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 538 A C 2.118 179.507 177.584 -0.326 0.000 1.181 538 A CA 1.581 53.081 52.037 -0.895 0.000 0.623 538 A CB -0.807 17.441 19.000 -1.253 0.000 0.818 538 A HN 0.628 nan 8.150 nan 0.000 0.443 539 I N -0.795 119.628 120.570 -0.244 0.000 2.286 539 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 539 I C 2.550 178.608 176.117 -0.099 0.000 1.115 539 I CA 1.858 63.083 61.300 -0.124 0.000 1.392 539 I CB -0.169 37.787 38.000 -0.074 0.000 1.065 539 I HN 0.390 nan 8.210 nan 0.000 0.418 540 K N 0.356 120.638 120.400 -0.195 0.000 2.076 540 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 540 K C 1.832 178.094 176.600 -0.564 0.000 1.051 540 K CA 1.353 57.355 56.287 -0.474 0.000 0.949 540 K CB 0.033 31.938 32.500 -0.991 0.000 0.726 540 K HN 0.242 nan 8.250 nan 0.000 0.443 541 Y N -0.348 119.912 120.300 -0.066 0.000 2.507 541 Y HA 0.323 4.873 4.550 -0.000 0.000 0.263 541 Y C 0.916 176.831 175.900 0.025 0.000 1.093 541 Y CA -0.227 57.868 58.100 -0.009 0.000 1.285 541 Y CB 0.697 39.175 38.460 0.030 0.000 1.115 541 Y HN 0.077 nan 8.280 nan 0.000 0.533 542 A N 0.406 123.300 122.820 0.122 0.000 2.616 542 A HA 0.612 4.932 4.320 -0.000 0.000 0.253 542 A C -0.836 176.771 177.584 0.037 0.000 1.239 542 A CA -0.802 51.297 52.037 0.103 0.000 0.914 542 A CB 0.888 19.976 19.000 0.147 0.000 1.454 542 A HN 0.039 nan 8.150 nan 0.000 0.460 543 K N 0.641 121.067 120.400 0.044 0.000 2.464 543 K HA 0.542 4.862 4.320 -0.000 0.000 0.252 543 K C -1.779 174.841 176.600 0.034 0.000 1.000 543 K CA -0.237 56.069 56.287 0.031 0.000 0.951 543 K CB 0.985 33.508 32.500 0.038 0.000 1.183 543 K HN 0.361 nan 8.250 nan 0.000 0.445 544 V N 5.485 125.410 119.914 0.020 0.000 2.364 544 V HA 0.227 4.347 4.120 -0.000 0.000 0.272 544 V C -0.334 175.819 176.094 0.099 0.000 1.036 544 V CA -0.679 61.650 62.300 0.048 0.000 0.880 544 V CB 0.792 32.602 31.823 -0.020 0.000 0.991 544 V HN 0.652 nan 8.190 nan 0.000 0.460 545 K N 5.468 125.941 120.400 0.121 0.000 2.265 545 K HA 0.681 5.001 4.320 -0.000 0.000 0.267 545 K C -3.085 173.585 176.600 0.118 0.000 0.994 545 K CA -1.958 54.390 56.287 0.101 0.000 0.860 545 K CB 1.830 34.361 32.500 0.053 0.000 1.099 545 K HN 0.276 nan 8.250 nan 0.000 0.448 546 P HA 0.124 nan 4.420 nan 0.000 0.275 546 P C -0.732 176.468 177.300 -0.168 0.000 1.227 546 P CA -0.440 62.597 63.100 -0.105 0.000 0.781 546 P CB 0.527 32.209 31.700 -0.030 0.000 0.906 547 I N 3.902 124.296 120.570 -0.293 0.000 2.359 547 I HA 0.325 4.495 4.170 -0.000 0.000 0.284 547 I C 0.763 176.757 176.117 -0.205 0.000 1.018 547 I CA -0.379 60.808 61.300 -0.189 0.000 1.173 547 I CB 0.472 38.377 38.000 -0.158 0.000 1.326 547 I HN 0.269 nan 8.210 nan 0.000 0.462 548 R N 3.498 123.916 120.500 -0.137 0.000 2.643 548 R HA 0.424 4.764 4.340 -0.000 0.000 0.272 548 R C -0.302 175.948 176.300 -0.083 0.000 0.995 548 R CA -0.801 55.231 56.100 -0.115 0.000 1.032 548 R CB 1.387 31.634 30.300 -0.087 0.000 1.126 548 R HN 0.540 nan 8.270 nan 0.000 0.505 549 D N -0.398 119.959 120.400 -0.072 0.000 2.511 549 D HA -0.038 4.602 4.640 -0.000 0.000 0.276 549 D C 0.722 176.996 176.300 -0.043 0.000 1.220 549 D CA -0.649 53.319 54.000 -0.054 0.000 1.077 549 D CB 0.289 41.059 40.800 -0.049 0.000 1.126 549 D HN 0.609 nan 8.370 nan 0.000 0.583 550 E N -0.780 119.399 120.200 -0.035 0.000 2.187 550 E HA -0.280 4.070 4.350 -0.000 0.000 0.199 550 E C 0.346 176.929 176.600 -0.030 0.000 1.004 550 E CA 1.606 57.988 56.400 -0.029 0.000 0.813 550 E CB -0.119 29.566 29.700 -0.024 0.000 0.736 550 E HN 0.474 nan 8.360 nan 0.000 0.468 551 D N -1.655 118.725 120.400 -0.033 0.000 2.339 551 D HA 0.147 4.787 4.640 -0.000 0.000 0.217 551 D C 0.800 177.077 176.300 -0.038 0.000 1.050 551 D CA 0.756 54.736 54.000 -0.033 0.000 0.856 551 D CB 0.718 41.498 40.800 -0.034 0.000 0.922 551 D HN 0.348 nan 8.370 nan 0.000 0.518 552 G N 0.753 109.527 108.800 -0.042 0.000 2.136 552 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.242 552 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.242 552 G C -0.013 174.854 174.900 -0.055 0.000 0.989 552 G CA -0.255 44.818 45.100 -0.046 0.000 0.682 552 G HN 0.289 nan 8.290 nan 0.000 0.522 553 L N 1.439 122.625 121.223 -0.061 0.000 2.305 553 L HA 0.755 5.095 4.340 -0.000 0.000 0.281 553 L C 0.903 177.715 176.870 -0.096 0.000 1.085 553 L CA 0.129 54.929 54.840 -0.067 0.000 0.813 553 L CB 0.986 43.010 42.059 -0.059 0.000 1.157 553 L HN 0.702 nan 8.230 nan 0.000 0.436 554 A N 6.580 129.335 122.820 -0.108 0.000 2.410 554 A HA 0.308 4.628 4.320 -0.000 0.000 0.292 554 A C 0.882 178.316 177.584 -0.249 0.000 1.232 554 A CA -0.085 51.816 52.037 -0.227 0.000 0.893 554 A CB -0.703 18.181 19.000 -0.194 0.000 1.131 554 A HN 0.872 nan 8.150 nan 0.000 0.530 555 I N -1.631 118.778 120.570 -0.268 0.000 4.018 555 I HA 0.391 4.561 4.170 -0.000 0.000 0.337 555 I C -0.067 175.916 176.117 -0.223 0.000 1.327 555 I CA 0.001 61.193 61.300 -0.179 0.000 1.100 555 I CB 0.304 38.242 38.000 -0.104 0.000 1.025 555 I HN 0.371 nan 8.210 nan 0.000 0.396 556 D N 0.240 120.365 120.400 -0.459 0.000 2.653 556 D HA 0.480 5.120 4.640 -0.000 0.000 0.258 556 D C -1.789 174.060 176.300 -0.752 0.000 1.252 556 D CA -0.295 53.482 54.000 -0.371 0.000 0.777 556 D CB 2.471 43.176 40.800 -0.158 0.000 1.339 556 D HN -0.046 nan 8.370 nan 0.000 0.422 557 F N 0.606 120.559 119.950 0.004 0.000 2.578 557 F HA 0.373 4.900 4.527 -0.000 0.000 0.311 557 F C 0.241 176.046 175.800 0.009 0.000 1.094 557 F CA -0.758 57.242 58.000 -0.000 0.000 0.923 557 F CB 2.242 41.237 39.000 -0.009 0.000 1.230 557 F HN 0.021 nan 8.300 nan 0.000 0.450 558 E N 3.417 123.718 120.200 0.168 0.000 2.145 558 E HA 0.569 4.919 4.350 -0.000 0.000 0.270 558 E C -1.256 175.413 176.600 0.115 0.000 0.906 558 E CA -0.474 55.991 56.400 0.108 0.000 0.761 558 E CB 1.307 31.044 29.700 0.061 0.000 1.116 558 E HN 0.512 nan 8.360 nan 0.000 0.408 559 I N 3.566 124.201 120.570 0.107 0.000 2.354 559 I HA 0.233 4.403 4.170 -0.000 0.000 0.292 559 I C -0.067 176.106 176.117 0.093 0.000 0.989 559 I CA -0.485 60.875 61.300 0.100 0.000 1.188 559 I CB 1.598 39.674 38.000 0.127 0.000 1.342 559 I HN 0.482 nan 8.210 nan 0.000 0.457 560 E N 5.878 126.127 120.200 0.082 0.000 2.092 560 E HA 0.582 4.932 4.350 -0.000 0.000 0.271 560 E C -0.143 176.510 176.600 0.088 0.000 0.919 560 E CA -0.314 56.130 56.400 0.073 0.000 0.760 560 E CB 1.210 30.943 29.700 0.055 0.000 1.106 560 E HN 0.869 nan 8.360 nan 0.000 0.408 561 G N 3.351 112.206 108.800 0.091 0.000 2.662 561 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.686 561 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.686 561 G C -0.784 174.202 174.900 0.143 0.000 1.271 561 G CA -0.728 44.431 45.100 0.099 0.000 0.816 561 G HN 0.573 nan 8.290 nan 0.000 0.608 562 E N -0.672 119.593 120.200 0.109 0.000 2.250 562 E HA 0.697 5.047 4.350 -0.000 0.000 0.269 562 E C -0.387 176.300 176.600 0.145 0.000 1.018 562 E CA -0.550 55.895 56.400 0.076 0.000 0.873 562 E CB 1.537 31.219 29.700 -0.029 0.000 1.134 562 E HN 0.783 nan 8.360 nan 0.000 0.403 563 Y N -1.943 118.372 120.300 0.025 0.000 2.597 563 Y HA 0.510 5.060 4.550 -0.000 0.000 0.340 563 Y C -2.895 172.997 175.900 -0.014 0.000 1.097 563 Y CA -3.114 55.001 58.100 0.026 0.000 1.037 563 Y CB 0.197 38.711 38.460 0.089 0.000 1.305 563 Y HN 0.255 nan 8.280 nan 0.000 0.463 564 P HA 0.152 nan 4.420 nan 0.000 0.271 564 P C -1.373 175.949 177.300 0.036 0.000 1.226 564 P CA 0.101 63.157 63.100 -0.073 0.000 0.765 564 P CB 1.344 32.967 31.700 -0.129 0.000 0.835 565 Q N 1.666 121.433 119.800 -0.055 0.000 2.266 565 Q HA 0.375 4.715 4.340 -0.000 0.000 0.261 565 Q C -0.386 175.671 176.000 0.096 0.000 0.985 565 Q CA -0.899 54.935 55.803 0.052 0.000 0.873 565 Q CB 1.376 30.089 28.738 -0.043 0.000 1.306 565 Q HN 0.397 nan 8.270 nan 0.000 0.447 566 F N 0.927 120.893 119.950 0.027 0.000 2.607 566 F HA 0.259 4.786 4.527 -0.000 0.000 0.374 566 F C 1.267 177.060 175.800 -0.012 0.000 1.104 566 F CA 2.058 60.061 58.000 0.006 0.000 1.296 566 F CB 0.359 39.366 39.000 0.012 0.000 1.085 566 F HN 0.775 nan 8.300 nan 0.000 0.584 567 G N 3.916 112.236 108.800 -0.800 0.000 2.184 567 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.206 567 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.206 567 G C 0.422 175.140 174.900 -0.303 0.000 0.995 567 G CA 0.095 44.856 45.100 -0.566 0.000 0.651 567 G HN 0.638 nan 8.290 nan 0.000 0.511 568 N N 0.962 119.516 118.700 -0.242 0.000 2.275 568 N HA 0.105 4.845 4.740 -0.000 0.000 0.236 568 N C 0.772 176.195 175.510 -0.145 0.000 1.154 568 N CA 0.213 53.171 53.050 -0.152 0.000 0.866 568 N CB 0.289 38.710 38.487 -0.111 0.000 1.093 568 N HN 0.398 nan 8.380 nan 0.000 0.515 569 N N 1.977 120.564 118.700 -0.187 0.000 2.727 569 N HA -0.211 4.529 4.740 -0.000 0.000 0.249 569 N C -1.330 174.119 175.510 -0.101 0.000 1.048 569 N CA 0.606 53.572 53.050 -0.140 0.000 0.714 569 N CB -1.006 37.417 38.487 -0.107 0.000 0.959 569 N HN 0.283 nan 8.380 nan 0.000 0.544 570 D N -0.657 119.682 120.400 -0.100 0.000 2.441 570 D HA 0.378 5.018 4.640 -0.000 0.000 0.231 570 D C -1.699 174.569 176.300 -0.053 0.000 1.073 570 D CA -2.113 51.837 54.000 -0.083 0.000 0.850 570 D CB 1.298 42.038 40.800 -0.101 0.000 1.062 570 D HN 0.072 nan 8.370 nan 0.000 0.524 571 P HA -0.128 nan 4.420 nan 0.000 0.218 571 P C 1.161 178.467 177.300 0.010 0.000 1.146 571 P CA 1.015 64.114 63.100 -0.003 0.000 0.813 571 P CB 0.288 31.984 31.700 -0.006 0.000 0.778 572 R N -1.009 119.463 120.500 -0.046 0.000 2.127 572 R HA -0.081 4.259 4.340 -0.000 0.000 0.238 572 R C 2.136 178.477 176.300 0.068 0.000 1.134 572 R CA 1.193 57.260 56.100 -0.056 0.000 0.975 572 R CB -1.016 29.034 30.300 -0.415 0.000 0.865 572 R HN 0.198 nan 8.270 nan 0.000 0.447 573 V N 0.301 120.252 119.914 0.062 0.000 3.048 573 V HA -0.049 4.070 4.120 -0.000 0.000 0.241 573 V C 0.835 177.051 176.094 0.203 0.000 1.129 573 V CA 1.126 63.519 62.300 0.154 0.000 1.128 573 V CB 0.320 32.249 31.823 0.177 0.000 0.849 573 V HN 0.095 nan 8.190 nan 0.000 0.475 574 D N 0.654 121.177 120.400 0.204 0.000 2.178 574 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 574 D C 1.686 178.100 176.300 0.190 0.000 0.980 574 D CA 1.574 55.751 54.000 0.295 0.000 0.842 574 D CB -0.263 40.631 40.800 0.157 0.000 0.948 574 D HN 0.463 nan 8.370 nan 0.000 0.472 575 D N -0.097 120.374 120.400 0.117 0.000 2.219 575 D HA -0.053 4.587 4.640 -0.000 0.000 0.205 575 D C 2.231 178.574 176.300 0.072 0.000 0.970 575 D CA 0.300 54.350 54.000 0.082 0.000 0.851 575 D CB -0.114 40.724 40.800 0.064 0.000 0.943 575 D HN 0.261 nan 8.370 nan 0.000 0.488 576 L N 0.284 121.557 121.223 0.084 0.000 2.109 576 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 576 L C 2.492 179.374 176.870 0.019 0.000 1.086 576 L CA 0.935 55.815 54.840 0.068 0.000 0.760 576 L CB -0.440 41.669 42.059 0.084 0.000 0.910 576 L HN -0.034 nan 8.230 nan 0.000 0.437 577 A N -0.004 122.814 122.820 -0.003 0.000 1.898 577 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 577 A C 2.360 179.906 177.584 -0.064 0.000 1.181 577 A CA 1.608 53.567 52.037 -0.129 0.000 0.620 577 A CB -0.812 17.972 19.000 -0.359 0.000 0.819 577 A HN 0.161 nan 8.150 nan 0.000 0.442 578 V N 0.674 120.596 119.914 0.012 0.000 2.332 578 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 578 V C 2.367 178.439 176.094 -0.036 0.000 1.055 578 V CA 2.571 64.880 62.300 0.015 0.000 1.038 578 V CB -0.837 31.014 31.823 0.047 0.000 0.651 578 V HN 0.748 nan 8.190 nan 0.000 0.450 579 D N -0.094 120.292 120.400 -0.023 0.000 2.117 579 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 579 D C 2.054 178.328 176.300 -0.044 0.000 0.987 579 D CA 1.464 55.442 54.000 -0.037 0.000 0.829 579 D CB -0.174 40.633 40.800 0.012 0.000 0.961 579 D HN 0.384 nan 8.370 nan 0.000 0.460 580 L N -0.325 120.880 121.223 -0.030 0.000 2.046 580 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 580 L C 2.616 179.485 176.870 -0.001 0.000 1.077 580 L CA 0.673 55.500 54.840 -0.022 0.000 0.747 580 L CB -0.467 41.557 42.059 -0.059 0.000 0.896 580 L HN 0.056 nan 8.230 nan 0.000 0.432 581 V N -0.112 119.791 119.914 -0.019 0.000 2.332 581 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 581 V C 2.379 178.476 176.094 0.004 0.000 1.055 581 V CA 1.871 64.187 62.300 0.027 0.000 1.038 581 V CB -0.521 31.324 31.823 0.037 0.000 0.651 581 V HN 0.476 nan 8.190 nan 0.000 0.450 582 E N -0.274 119.827 120.200 -0.165 0.000 2.072 582 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 582 E C 2.503 179.002 176.600 -0.168 0.000 0.985 582 E CA 1.001 57.142 56.400 -0.431 0.000 0.801 582 E CB -0.182 29.127 29.700 -0.652 0.000 0.750 582 E HN 0.528 nan 8.360 nan 0.000 0.452 583 R N 0.095 120.560 120.500 -0.059 0.000 2.080 583 R HA -0.153 4.187 4.340 -0.000 0.000 0.236 583 R C 2.301 178.655 176.300 0.091 0.000 1.137 583 R CA 1.454 57.566 56.100 0.019 0.000 0.943 583 R CB -0.482 29.845 30.300 0.046 0.000 0.846 583 R HN 0.148 nan 8.270 nan 0.000 0.431 584 F N 1.192 121.135 119.950 -0.011 0.000 2.171 584 F HA -0.224 4.303 4.527 -0.000 0.000 0.300 584 F C 2.414 178.232 175.800 0.029 0.000 1.090 584 F CA 1.495 59.504 58.000 0.015 0.000 1.293 584 F CB -0.204 38.810 39.000 0.024 0.000 1.013 584 F HN -0.064 nan 8.300 nan 0.000 0.486 585 M N 0.810 120.476 119.600 0.111 0.000 2.080 585 M HA -0.206 4.274 4.480 -0.000 0.000 0.260 585 M C 1.955 178.255 176.300 0.001 0.000 1.068 585 M CA 1.908 57.250 55.300 0.070 0.000 1.109 585 M CB -0.599 32.144 32.600 0.238 0.000 1.342 585 M HN 0.002 nan 8.290 nan 0.000 0.405 586 K N -0.530 119.888 120.400 0.030 0.000 2.211 586 K HA -0.133 4.187 4.320 -0.000 0.000 0.203 586 K C 1.920 178.480 176.600 -0.066 0.000 1.050 586 K CA 1.220 57.514 56.287 0.011 0.000 0.945 586 K CB -0.073 32.444 32.500 0.030 0.000 0.732 586 K HN 0.427 nan 8.250 nan 0.000 0.451 587 K N 0.918 121.237 120.400 -0.134 0.000 2.021 587 K HA -0.026 4.294 4.320 -0.000 0.000 0.205 587 K C 2.197 178.645 176.600 -0.253 0.000 1.047 587 K CA 1.252 57.426 56.287 -0.187 0.000 0.943 587 K CB -0.169 32.206 32.500 -0.208 0.000 0.725 587 K HN 0.213 nan 8.250 nan 0.000 0.439 588 I N -0.614 119.724 120.570 -0.388 0.000 2.614 588 I HA -0.216 3.954 4.170 -0.000 0.000 0.258 588 I C 2.371 178.372 176.117 -0.194 0.000 1.189 588 I CA 1.308 62.406 61.300 -0.336 0.000 1.462 588 I CB -0.403 37.345 38.000 -0.421 0.000 1.092 588 I HN 0.160 nan 8.210 nan 0.000 0.442 589 Q N 2.009 121.718 119.800 -0.152 0.000 2.226 589 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 589 Q C 1.848 177.792 176.000 -0.092 0.000 0.975 589 Q CA 1.537 57.282 55.803 -0.097 0.000 0.866 589 Q CB 0.074 28.775 28.738 -0.062 0.000 0.915 589 Q HN 0.592 nan 8.270 nan 0.000 0.440 590 K N -0.274 120.060 120.400 -0.110 0.000 2.426 590 K HA 0.135 4.455 4.320 -0.000 0.000 0.193 590 K C -0.042 176.454 176.600 -0.174 0.000 1.028 590 K CA -0.045 56.170 56.287 -0.120 0.000 1.047 590 K CB 0.347 32.784 32.500 -0.105 0.000 0.821 590 K HN 0.201 nan 8.250 nan 0.000 0.513 591 L N 1.068 122.196 121.223 -0.158 0.000 2.334 591 L HA 0.240 4.580 4.340 -0.000 0.000 0.277 591 L C 0.149 176.959 176.870 -0.100 0.000 1.075 591 L CA -0.771 53.969 54.840 -0.167 0.000 0.804 591 L CB 0.724 42.711 42.059 -0.119 0.000 1.174 591 L HN 0.116 nan 8.230 nan 0.000 0.438 592 H N 0.461 119.522 119.070 -0.014 0.000 2.815 592 H HA 0.236 4.792 4.556 -0.000 0.000 0.350 592 H C 0.050 175.392 175.328 0.024 0.000 1.080 592 H CA -0.049 56.002 56.048 0.004 0.000 1.433 592 H CB 0.850 30.619 29.762 0.012 0.000 1.432 592 H HN 0.628 nan 8.280 nan 0.000 0.592 593 T N 0.158 114.820 114.554 0.180 0.000 2.907 593 T HA 0.188 4.538 4.350 -0.000 0.000 0.292 593 T C -0.671 174.145 174.700 0.193 0.000 1.043 593 T CA -1.031 61.168 62.100 0.164 0.000 1.003 593 T CB 1.020 69.966 68.868 0.130 0.000 1.084 593 T HN 0.574 nan 8.240 nan 0.000 0.483 594 Y N 2.679 123.064 120.300 0.143 0.000 2.712 594 Y HA 0.171 4.721 4.550 -0.000 0.000 0.333 594 Y C 1.560 177.599 175.900 0.232 0.000 1.225 594 Y CA 0.270 58.472 58.100 0.171 0.000 1.499 594 Y CB 0.372 38.929 38.460 0.161 0.000 1.288 594 Y HN 0.997 nan 8.280 nan 0.000 0.575 595 R N 3.711 123.850 120.500 -0.601 0.000 3.847 595 R HA -0.311 4.029 4.340 -0.000 0.000 0.304 595 R C -0.476 175.719 176.300 -0.176 0.000 1.203 595 R CA 1.168 56.981 56.100 -0.478 0.000 0.835 595 R CB -1.487 28.442 30.300 -0.617 0.000 1.253 595 R HN 1.061 nan 8.270 nan 0.000 0.516 596 D N -2.583 117.769 120.400 -0.080 0.000 2.772 596 D HA -0.207 4.433 4.640 -0.000 0.000 0.233 596 D C -0.004 176.271 176.300 -0.041 0.000 1.143 596 D CA 1.475 55.453 54.000 -0.036 0.000 0.700 596 D CB -1.189 39.579 40.800 -0.053 0.000 1.076 596 D HN 0.601 nan 8.370 nan 0.000 0.430 597 A N 0.486 123.302 122.820 -0.007 0.000 2.492 597 A HA 0.375 4.695 4.320 -0.000 0.000 0.254 597 A C 0.909 178.474 177.584 -0.032 0.000 1.091 597 A CA -0.173 51.828 52.037 -0.059 0.000 0.768 597 A CB 0.212 19.225 19.000 0.023 0.000 1.028 597 A HN 0.324 nan 8.150 nan 0.000 0.498 598 I N 5.473 126.003 120.570 -0.067 0.000 2.505 598 I HA 0.121 4.291 4.170 -0.000 0.000 0.287 598 I C -1.687 174.401 176.117 -0.049 0.000 1.104 598 I CA -1.322 59.947 61.300 -0.052 0.000 1.387 598 I CB 0.548 38.513 38.000 -0.059 0.000 1.404 598 I HN 0.481 nan 8.210 nan 0.000 0.528 599 P HA 0.062 nan 4.420 nan 0.000 0.267 599 P C -0.406 176.860 177.300 -0.057 0.000 1.205 599 P CA 0.020 63.087 63.100 -0.056 0.000 0.765 599 P CB 0.731 32.384 31.700 -0.078 0.000 0.828 600 T N -0.018 114.512 114.554 -0.041 0.000 2.887 600 T HA 0.543 4.892 4.350 -0.000 0.000 0.292 600 T C -0.815 173.894 174.700 0.016 0.000 1.087 600 T CA -0.824 61.258 62.100 -0.031 0.000 1.009 600 T CB 2.159 71.009 68.868 -0.030 0.000 1.203 600 T HN 0.494 nan 8.240 nan 0.000 0.518 601 Q N 0.308 120.133 119.800 0.041 0.000 2.413 601 Q HA 0.672 5.012 4.340 -0.000 0.000 0.276 601 Q C -1.482 174.594 176.000 0.126 0.000 1.099 601 Q CA -0.849 55.027 55.803 0.122 0.000 0.814 601 Q CB 2.037 30.883 28.738 0.179 0.000 1.379 601 Q HN 1.012 nan 8.270 nan 0.000 0.436 602 S N 0.515 116.316 115.700 0.169 0.000 2.548 602 S HA 0.497 4.967 4.470 -0.000 0.000 0.276 602 S C -0.931 173.774 174.600 0.174 0.000 1.129 602 S CA -0.749 57.558 58.200 0.179 0.000 0.931 602 S CB 1.638 64.954 63.200 0.195 0.000 1.068 602 S HN 0.380 nan 8.310 nan 0.000 0.480 603 V N 3.632 123.649 119.914 0.171 0.000 2.221 603 V HA 0.543 4.663 4.120 -0.000 0.000 0.258 603 V C -0.629 175.569 176.094 0.174 0.000 1.179 603 V CA -0.247 62.140 62.300 0.145 0.000 1.022 603 V CB -0.267 31.631 31.823 0.126 0.000 1.228 603 V HN 0.797 nan 8.190 nan 0.000 0.487 604 L N 3.865 125.195 121.223 0.179 0.000 2.434 604 L HA 0.754 5.094 4.340 -0.000 0.000 0.260 604 L C 0.664 177.653 176.870 0.199 0.000 0.983 604 L CA 0.532 55.491 54.840 0.199 0.000 0.820 604 L CB 2.565 44.748 42.059 0.206 0.000 1.361 604 L HN 0.491 nan 8.230 nan 0.000 0.410 605 T N 0.567 115.245 114.554 0.206 0.000 3.105 605 T HA 0.363 4.713 4.350 -0.000 0.000 0.257 605 T C 0.975 175.752 174.700 0.129 0.000 0.949 605 T CA 0.668 62.874 62.100 0.177 0.000 0.959 605 T CB 0.142 69.133 68.868 0.204 0.000 1.205 605 T HN 0.430 nan 8.240 nan 0.000 0.496 606 I N 1.588 122.289 120.570 0.218 0.000 4.892 606 I HA -0.283 3.887 4.170 -0.000 0.000 0.062 606 I C 1.286 177.500 176.117 0.162 0.000 0.818 606 I CA 1.794 63.262 61.300 0.280 0.000 0.302 606 I CB -2.078 36.039 38.000 0.194 0.000 0.600 606 I HN 0.443 nan 8.210 nan 0.000 0.185 607 T N 1.183 115.761 114.554 0.041 0.000 3.194 607 T HA 0.080 4.430 4.350 -0.000 0.000 0.251 607 T C 1.449 176.075 174.700 -0.123 0.000 1.132 607 T CA 0.973 63.070 62.100 -0.005 0.000 1.028 607 T CB -0.200 68.674 68.868 0.010 0.000 0.976 607 T HN 0.470 nan 8.240 nan 0.000 0.535 608 S N 2.802 118.393 115.700 -0.182 0.000 2.474 608 S HA -0.116 4.354 4.470 -0.000 0.000 0.235 608 S C 2.349 176.883 174.600 -0.109 0.000 0.997 608 S CA 0.669 58.703 58.200 -0.276 0.000 0.949 608 S CB -0.287 62.734 63.200 -0.298 0.000 0.766 608 S HN 0.773 nan 8.310 nan 0.000 0.517 609 N N 1.663 120.381 118.700 0.031 0.000 2.166 609 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 609 N C 1.539 176.992 175.510 -0.095 0.000 1.019 609 N CA 1.228 54.337 53.050 0.099 0.000 0.856 609 N CB -0.608 38.009 38.487 0.218 0.000 0.993 609 N HN 0.323 nan 8.380 nan 0.000 0.426 610 V N 0.970 120.838 119.914 -0.077 0.000 2.302 610 V HA -0.105 4.015 4.120 -0.000 0.000 0.243 610 V C 2.766 178.755 176.094 -0.173 0.000 1.036 610 V CA 0.932 63.170 62.300 -0.103 0.000 1.020 610 V CB -0.382 31.415 31.823 -0.043 0.000 0.657 610 V HN 0.095 nan 8.190 nan 0.000 0.453 611 V N -0.888 118.908 119.914 -0.197 0.000 2.261 611 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 611 V C 2.183 178.153 176.094 -0.205 0.000 1.047 611 V CA 2.267 64.436 62.300 -0.217 0.000 1.015 611 V CB -0.833 30.815 31.823 -0.292 0.000 0.642 611 V HN 0.534 nan 8.190 nan 0.000 0.446 612 Y N 0.866 120.987 120.300 -0.297 0.000 2.242 612 Y HA -0.136 4.414 4.550 -0.000 0.000 0.291 612 Y C 2.596 178.087 175.900 -0.682 0.000 1.137 612 Y CA 0.724 58.598 58.100 -0.376 0.000 1.181 612 Y CB -0.580 37.707 38.460 -0.288 0.000 0.989 612 Y HN 0.353 nan 8.280 nan 0.000 0.527 613 G N 0.203 108.492 108.800 -0.852 0.000 2.418 613 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 613 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 613 G C 1.532 176.257 174.900 -0.291 0.000 1.158 613 G CA 1.098 45.691 45.100 -0.844 0.000 0.771 613 G HN 0.300 nan 8.290 nan 0.000 0.545 614 K N 0.482 120.764 120.400 -0.197 0.000 2.211 614 K HA -0.004 4.316 4.320 -0.000 0.000 0.203 614 K C 1.982 178.556 176.600 -0.043 0.000 1.050 614 K CA 1.055 57.288 56.287 -0.090 0.000 0.945 614 K CB -0.064 32.391 32.500 -0.075 0.000 0.732 614 K HN 0.224 nan 8.250 nan 0.000 0.451 615 K N -0.036 120.343 120.400 -0.035 0.000 2.374 615 K HA 0.080 4.400 4.320 -0.000 0.000 0.196 615 K C -0.490 176.141 176.600 0.053 0.000 1.023 615 K CA 0.140 56.444 56.287 0.028 0.000 1.103 615 K CB 1.083 33.625 32.500 0.070 0.000 0.848 615 K HN -0.011 nan 8.250 nan 0.000 0.528 616 T N 0.692 115.268 114.554 0.037 0.000 2.797 616 T HA 0.348 4.698 4.350 -0.000 0.000 0.279 616 T C 0.467 175.235 174.700 0.113 0.000 0.991 616 T CA -0.774 61.391 62.100 0.108 0.000 0.979 616 T CB 1.827 70.835 68.868 0.233 0.000 0.943 616 T HN 0.235 nan 8.240 nan 0.000 0.444 617 G N 2.195 111.067 108.800 0.120 0.000 2.516 617 G HA2 0.190 4.150 3.960 -0.000 0.000 0.276 617 G HA3 0.190 4.150 3.960 -0.000 0.000 0.276 617 G C 0.154 175.142 174.900 0.146 0.000 1.390 617 G CA -0.729 44.438 45.100 0.112 0.000 1.050 617 G HN 0.672 nan 8.290 nan 0.000 0.519 618 N N 0.373 119.161 118.700 0.146 0.000 2.407 618 N HA 0.104 4.844 4.740 -0.000 0.000 0.250 618 N C 0.462 176.161 175.510 0.315 0.000 1.236 618 N CA 0.693 53.864 53.050 0.201 0.000 0.879 618 N CB 0.726 39.320 38.487 0.177 0.000 1.088 618 N HN 0.630 nan 8.380 nan 0.000 0.450 619 T N -1.492 113.198 114.554 0.226 0.000 2.908 619 T HA 0.372 4.722 4.350 -0.000 0.000 0.290 619 T C -2.061 172.530 174.700 -0.182 0.000 1.034 619 T CA -1.954 60.168 62.100 0.037 0.000 1.010 619 T CB 2.234 71.082 68.868 -0.033 0.000 1.068 619 T HN 0.053 nan 8.240 nan 0.000 0.481 620 P HA -0.143 nan 4.420 nan 0.000 0.218 620 P C 1.170 178.271 177.300 -0.331 0.000 1.146 620 P CA 1.138 63.772 63.100 -0.778 0.000 0.813 620 P CB -0.018 31.193 31.700 -0.816 0.000 0.778 621 D N -1.934 118.339 120.400 -0.212 0.000 2.348 621 D HA -0.020 4.620 4.640 -0.000 0.000 0.216 621 D C 1.528 177.885 176.300 0.095 0.000 0.970 621 D CA 1.225 55.180 54.000 -0.075 0.000 0.889 621 D CB -0.795 40.010 40.800 0.008 0.000 0.912 621 D HN 0.268 nan 8.370 nan 0.000 0.524 622 G N 0.644 109.486 108.800 0.070 0.000 2.218 622 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 622 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 622 G C 0.318 175.288 174.900 0.115 0.000 0.994 622 G CA 0.015 45.190 45.100 0.125 0.000 0.637 622 G HN 0.614 nan 8.290 nan 0.000 0.505 623 R N 1.214 121.774 120.500 0.101 0.000 2.522 623 R HA 0.309 4.649 4.340 -0.000 0.000 0.284 623 R C 0.369 176.734 176.300 0.107 0.000 1.032 623 R CA -0.240 55.920 56.100 0.099 0.000 1.049 623 R CB 0.333 30.694 30.300 0.102 0.000 0.956 623 R HN 0.118 nan 8.270 nan 0.000 0.422 624 R N 2.457 123.010 120.500 0.089 0.000 2.582 624 R HA 0.188 4.528 4.340 -0.000 0.000 0.271 624 R C -0.156 176.193 176.300 0.082 0.000 1.078 624 R CA -0.151 55.998 56.100 0.081 0.000 1.127 624 R CB 0.527 30.862 30.300 0.058 0.000 1.038 624 R HN 0.763 nan 8.270 nan 0.000 0.500 625 A N 0.567 123.432 122.820 0.076 0.000 2.540 625 A HA 0.380 4.700 4.320 -0.000 0.000 0.239 625 A C 1.336 178.945 177.584 0.041 0.000 1.061 625 A CA 0.853 52.931 52.037 0.068 0.000 0.758 625 A CB -0.443 18.591 19.000 0.057 0.000 0.991 625 A HN 0.902 nan 8.150 nan 0.000 0.502 626 G N 0.676 109.493 108.800 0.028 0.000 2.205 626 G HA2 0.110 4.070 3.960 -0.000 0.000 0.261 626 G HA3 0.110 4.070 3.960 -0.000 0.000 0.261 626 G C 0.639 175.522 174.900 -0.028 0.000 0.980 626 G CA 0.572 45.668 45.100 -0.007 0.000 0.632 626 G HN 2.246 nan 8.290 nan 0.000 0.533 627 A N 1.044 123.861 122.820 -0.005 0.000 2.388 627 A HA 0.678 4.998 4.320 -0.000 0.000 0.257 627 A C -1.592 175.958 177.584 -0.057 0.000 1.095 627 A CA -0.761 51.261 52.037 -0.026 0.000 0.791 627 A CB 0.369 19.367 19.000 -0.003 0.000 1.029 627 A HN 0.187 nan 8.150 nan 0.000 0.489 628 P HA 0.179 nan 4.420 nan 0.000 0.269 628 P C -0.434 176.903 177.300 0.062 0.000 1.209 628 P CA 0.145 63.190 63.100 -0.092 0.000 0.776 628 P CB 0.235 31.910 31.700 -0.042 0.000 0.876 629 F N 0.760 120.739 119.950 0.047 0.000 2.352 629 F HA 0.423 4.950 4.527 -0.000 0.000 0.304 629 F C 1.647 177.569 175.800 0.204 0.000 1.215 629 F CA -0.916 57.134 58.000 0.084 0.000 1.121 629 F CB -0.624 38.431 39.000 0.091 0.000 1.329 629 F HN 0.214 nan 8.300 nan 0.000 0.528 630 G N 0.869 109.931 108.800 0.436 0.000 2.503 630 G HA2 0.431 4.391 3.960 -0.000 0.000 0.257 630 G HA3 0.431 4.391 3.960 -0.000 0.000 0.257 630 G C -2.695 172.394 174.900 0.316 0.000 1.214 630 G CA -1.161 44.178 45.100 0.398 0.000 0.839 630 G HN 0.295 nan 8.290 nan 0.000 0.559 631 P HA 0.201 nan 4.420 nan 0.000 0.276 631 P C 1.139 178.586 177.300 0.244 0.000 1.235 631 P CA 0.945 64.183 63.100 0.230 0.000 0.772 631 P CB 1.108 32.913 31.700 0.174 0.000 0.871 632 G N 4.043 112.987 108.800 0.240 0.000 2.660 632 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.321 632 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.321 632 G C 0.877 175.900 174.900 0.205 0.000 1.246 632 G CA 0.637 45.877 45.100 0.232 0.000 1.000 632 G HN 0.699 nan 8.290 nan 0.000 0.550 633 A N 0.389 123.351 122.820 0.236 0.000 2.379 633 A HA 0.522 4.842 4.320 -0.000 0.000 0.236 633 A C 0.866 178.593 177.584 0.239 0.000 1.272 633 A CA 0.835 52.983 52.037 0.185 0.000 0.886 633 A CB -0.317 18.805 19.000 0.204 0.000 0.962 633 A HN 0.616 nan 8.150 nan 0.000 0.504 634 N N 1.283 120.162 118.700 0.299 0.000 2.453 634 N HA 0.326 5.066 4.740 -0.000 0.000 0.253 634 N C -2.790 172.904 175.510 0.308 0.000 1.252 634 N CA -0.701 52.554 53.050 0.342 0.000 0.917 634 N CB 0.303 38.990 38.487 0.332 0.000 1.117 634 N HN 0.112 nan 8.380 nan 0.000 0.442 635 P HA 0.108 nan 4.420 nan 0.000 0.274 635 P C -0.124 177.328 177.300 0.254 0.000 1.237 635 P CA -0.236 63.069 63.100 0.341 0.000 0.793 635 P CB 0.578 32.403 31.700 0.209 0.000 0.977 636 M N 1.397 121.140 119.600 0.239 0.000 2.252 636 M HA 0.006 4.486 4.480 -0.000 0.000 0.333 636 M C 0.276 176.757 176.300 0.303 0.000 1.111 636 M CA 0.234 55.700 55.300 0.277 0.000 1.140 636 M CB -0.685 32.033 32.600 0.197 0.000 1.538 636 M HN 0.432 nan 8.290 nan 0.000 0.448 637 H N 1.834 120.971 119.070 0.111 0.000 3.232 637 H HA 0.117 4.673 4.556 -0.000 0.000 0.276 637 H C 1.445 176.819 175.328 0.077 0.000 0.882 637 H CA 1.466 57.568 56.048 0.090 0.000 1.415 637 H CB -0.651 29.167 29.762 0.093 0.000 1.405 637 H HN 0.896 nan 8.280 nan 0.000 0.543 638 G N 2.979 111.866 108.800 0.146 0.000 2.189 638 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.267 638 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.267 638 G C 1.630 176.574 174.900 0.073 0.000 0.975 638 G CA 0.639 45.800 45.100 0.102 0.000 0.644 638 G HN 0.638 nan 8.290 nan 0.000 0.537 639 R N 0.856 121.406 120.500 0.083 0.000 2.148 639 R HA 0.048 4.388 4.340 -0.000 0.000 0.223 639 R C 0.546 176.856 176.300 0.016 0.000 1.088 639 R CA 1.033 57.161 56.100 0.048 0.000 0.985 639 R CB -0.165 30.178 30.300 0.071 0.000 0.880 639 R HN 0.670 nan 8.270 nan 0.000 0.451 640 D N 1.508 121.923 120.400 0.025 0.000 2.374 640 D HA -0.017 4.623 4.640 -0.000 0.000 0.240 640 D C -0.044 176.255 176.300 -0.002 0.000 1.229 640 D CA 0.006 54.002 54.000 -0.007 0.000 0.895 640 D CB 1.168 41.967 40.800 -0.001 0.000 1.046 640 D HN 0.141 nan 8.370 nan 0.000 0.498 641 Q N 0.996 120.785 119.800 -0.018 0.000 2.179 641 Q HA 0.098 4.438 4.340 -0.000 0.000 0.213 641 Q C 0.443 176.431 176.000 -0.020 0.000 0.833 641 Q CA -0.119 55.676 55.803 -0.013 0.000 0.990 641 Q CB 0.853 29.581 28.738 -0.016 0.000 1.132 641 Q HN 0.342 nan 8.270 nan 0.000 0.493 642 K N 0.890 121.273 120.400 -0.028 0.000 2.570 642 K HA 0.276 4.596 4.320 -0.000 0.000 0.210 642 K C 0.293 176.882 176.600 -0.018 0.000 1.048 642 K CA 0.221 56.490 56.287 -0.030 0.000 1.167 642 K CB 0.992 33.464 32.500 -0.047 0.000 0.892 642 K HN 0.279 nan 8.250 nan 0.000 0.480 643 G N 0.884 109.684 108.800 0.000 0.000 2.757 643 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.638 643 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.638 643 G C 0.647 175.580 174.900 0.054 0.000 1.344 643 G CA -0.478 44.635 45.100 0.022 0.000 0.855 643 G HN 0.159 nan 8.290 nan 0.000 0.537 644 A N -0.773 122.107 122.820 0.099 0.000 1.851 644 A HA 0.115 4.435 4.320 -0.000 0.000 0.216 644 A C 2.820 180.393 177.584 -0.018 0.000 1.195 644 A CA 3.749 55.877 52.037 0.151 0.000 0.622 644 A CB -0.913 18.207 19.000 0.201 0.000 0.831 644 A HN 1.757 nan 8.150 nan 0.000 0.444 645 V N -0.012 119.874 119.914 -0.046 0.000 2.380 645 V HA -0.312 3.808 4.120 -0.000 0.000 0.251 645 V C 3.001 179.051 176.094 -0.072 0.000 1.063 645 V CA 2.175 64.430 62.300 -0.074 0.000 1.055 645 V CB -1.393 30.397 31.823 -0.055 0.000 0.657 645 V HN 0.663 nan 8.190 nan 0.000 0.455 646 A N 0.761 123.544 122.820 -0.060 0.000 1.855 646 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 646 A C 2.562 180.071 177.584 -0.125 0.000 1.191 646 A CA 2.274 54.261 52.037 -0.083 0.000 0.613 646 A CB -0.858 18.099 19.000 -0.071 0.000 0.829 646 A HN 0.680 nan 8.150 nan 0.000 0.442 647 S N 0.160 115.801 115.700 -0.099 0.000 2.368 647 S HA -0.094 4.376 4.470 -0.000 0.000 0.225 647 S C 1.895 176.356 174.600 -0.231 0.000 1.030 647 S CA 1.461 59.570 58.200 -0.152 0.000 0.999 647 S CB -0.787 62.425 63.200 0.021 0.000 0.844 647 S HN 0.407 nan 8.310 nan 0.000 0.459 648 L N 1.257 122.387 121.223 -0.156 0.000 2.083 648 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 648 L C 2.957 179.819 176.870 -0.014 0.000 1.083 648 L CA 1.600 56.337 54.840 -0.171 0.000 0.752 648 L CB -1.176 40.711 42.059 -0.286 0.000 0.899 648 L HN 0.379 nan 8.230 nan 0.000 0.433 649 T N -1.266 113.248 114.554 -0.066 0.000 2.821 649 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 649 T C 2.150 176.796 174.700 -0.090 0.000 1.046 649 T CA 1.511 63.581 62.100 -0.049 0.000 1.139 649 T CB -0.044 68.787 68.868 -0.062 0.000 0.871 649 T HN 0.263 nan 8.240 nan 0.000 0.454 650 S N 0.980 116.551 115.700 -0.215 0.000 2.356 650 S HA -0.079 4.391 4.470 -0.000 0.000 0.223 650 S C 2.351 176.842 174.600 -0.181 0.000 1.032 650 S CA 0.916 58.906 58.200 -0.349 0.000 1.005 650 S CB -0.483 62.223 63.200 -0.824 0.000 0.867 650 S HN 0.290 nan 8.310 nan 0.000 0.449 651 V N 2.133 121.932 119.914 -0.191 0.000 2.343 651 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 651 V C 2.610 178.784 176.094 0.134 0.000 1.051 651 V CA 1.602 63.920 62.300 0.030 0.000 1.036 651 V CB -1.239 30.434 31.823 -0.250 0.000 0.654 651 V HN 0.538 nan 8.190 nan 0.000 0.451 652 A N -0.359 122.522 122.820 0.102 0.000 2.019 652 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 652 A C 2.264 179.869 177.584 0.036 0.000 1.164 652 A CA 1.659 53.690 52.037 -0.010 0.000 0.644 652 A CB -0.425 18.515 19.000 -0.100 0.000 0.805 652 A HN 0.560 nan 8.150 nan 0.000 0.449 653 K N -0.416 120.025 120.400 0.068 0.000 2.211 653 K HA 0.047 4.367 4.320 -0.000 0.000 0.203 653 K C -0.011 176.667 176.600 0.131 0.000 1.050 653 K CA 0.182 56.523 56.287 0.090 0.000 0.945 653 K CB -0.370 32.184 32.500 0.090 0.000 0.732 653 K HN 0.452 nan 8.250 nan 0.000 0.451 654 L N 4.099 125.422 121.223 0.167 0.000 2.559 654 L HA 0.024 4.364 4.340 -0.000 0.000 0.274 654 L C -1.974 175.007 176.870 0.185 0.000 1.205 654 L CA -1.405 53.539 54.840 0.173 0.000 0.907 654 L CB -0.167 42.006 42.059 0.190 0.000 1.153 654 L HN -0.049 nan 8.230 nan 0.000 0.490 655 P HA -0.071 nan 4.420 nan 0.000 0.274 655 P C 0.348 177.810 177.300 0.270 0.000 1.291 655 P CA -0.114 63.138 63.100 0.252 0.000 0.815 655 P CB 0.506 32.403 31.700 0.328 0.000 0.897 656 F N 5.087 125.097 119.950 0.101 0.000 2.293 656 F HA -0.078 4.449 4.527 -0.000 0.000 0.300 656 F C 2.099 177.906 175.800 0.013 0.000 1.086 656 F CA 1.382 59.417 58.000 0.058 0.000 1.375 656 F CB -0.490 38.521 39.000 0.019 0.000 1.045 656 F HN 0.353 nan 8.300 nan 0.000 0.516 657 A N -1.210 121.587 122.820 -0.037 0.000 2.070 657 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 657 A C 1.306 178.631 177.584 -0.432 0.000 1.159 657 A CA 1.483 53.362 52.037 -0.264 0.000 0.656 657 A CB -1.147 17.738 19.000 -0.191 0.000 0.800 657 A HN 0.578 nan 8.150 nan 0.000 0.453 658 Y N -2.173 118.069 120.300 -0.097 0.000 2.531 658 Y HA 0.510 5.060 4.550 -0.000 0.000 0.249 658 Y C 1.041 176.903 175.900 -0.062 0.000 1.168 658 Y CA 0.354 58.416 58.100 -0.064 0.000 1.226 658 Y CB 0.670 39.127 38.460 -0.004 0.000 1.177 658 Y HN 0.242 nan 8.280 nan 0.000 0.527 659 A N -0.461 122.344 122.820 -0.026 0.000 3.410 659 A HA 0.385 4.705 4.320 -0.000 0.000 0.276 659 A C 0.747 178.191 177.584 -0.233 0.000 0.995 659 A CA -0.449 51.581 52.037 -0.012 0.000 0.934 659 A CB -0.015 19.062 19.000 0.128 0.000 1.191 659 A HN 0.047 nan 8.150 nan 0.000 0.511 660 K N 0.184 120.331 120.400 -0.421 0.000 2.360 660 K HA -0.111 4.209 4.320 -0.000 0.000 0.201 660 K C 1.012 177.505 176.600 -0.179 0.000 1.046 660 K CA 1.524 57.419 56.287 -0.652 0.000 0.945 660 K CB -0.036 32.184 32.500 -0.467 0.000 0.750 660 K HN 0.622 nan 8.250 nan 0.000 0.464 661 D N -0.720 119.679 120.400 -0.001 0.000 2.340 661 D HA 0.111 4.751 4.640 -0.000 0.000 0.220 661 D C -0.051 176.381 176.300 0.220 0.000 1.039 661 D CA 0.726 54.803 54.000 0.128 0.000 0.866 661 D CB 0.312 41.188 40.800 0.127 0.000 0.913 661 D HN 0.238 nan 8.370 nan 0.000 0.523 662 G N -0.243 108.737 108.800 0.299 0.000 2.539 662 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.686 662 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.686 662 G C -0.920 174.166 174.900 0.309 0.000 1.258 662 G CA -0.630 44.691 45.100 0.368 0.000 0.846 662 G HN 0.137 nan 8.290 nan 0.000 0.647 663 I N 1.396 122.163 120.570 0.328 0.000 2.476 663 I HA 0.417 4.587 4.170 -0.000 0.000 0.281 663 I C 0.447 176.771 176.117 0.344 0.000 1.040 663 I CA -0.675 60.808 61.300 0.306 0.000 1.094 663 I CB 1.852 40.044 38.000 0.319 0.000 1.219 663 I HN 0.603 nan 8.210 nan 0.000 0.450 664 S N 6.099 121.973 115.700 0.289 0.000 2.513 664 S HA 0.459 4.929 4.470 -0.000 0.000 0.276 664 S C -1.169 173.753 174.600 0.536 0.000 1.254 664 S CA -0.101 58.299 58.200 0.332 0.000 1.053 664 S CB 0.597 63.889 63.200 0.154 0.000 0.958 664 S HN 0.411 nan 8.310 nan 0.000 0.491 665 Y N 3.371 123.997 120.300 0.543 0.000 2.354 665 Y HA 0.412 4.962 4.550 -0.000 0.000 0.330 665 Y C -0.712 175.338 175.900 0.250 0.000 1.011 665 Y CA -0.949 57.340 58.100 0.315 0.000 1.099 665 Y CB 1.477 40.072 38.460 0.225 0.000 1.179 665 Y HN 0.593 nan 8.280 nan 0.000 0.442 666 T N 8.157 122.725 114.554 0.024 0.000 2.811 666 T HA 0.270 4.620 4.350 -0.000 0.000 0.309 666 T C -1.079 173.349 174.700 -0.453 0.000 1.005 666 T CA -0.109 61.895 62.100 -0.159 0.000 0.955 666 T CB -0.542 68.310 68.868 -0.026 0.000 0.970 666 T HN 0.441 nan 8.240 nan 0.000 0.496 667 F N 3.271 122.764 119.950 -0.761 0.000 2.404 667 F HA 0.557 5.084 4.527 -0.000 0.000 0.354 667 F C -0.126 175.421 175.800 -0.422 0.000 1.122 667 F CA -0.631 56.937 58.000 -0.719 0.000 1.080 667 F CB 0.923 39.407 39.000 -0.859 0.000 1.131 667 F HN 0.320 nan 8.300 nan 0.000 0.471 668 S N 7.758 122.910 115.700 -0.913 0.000 2.552 668 S HA 0.602 5.072 4.470 -0.000 0.000 0.314 668 S C -0.924 173.143 174.600 -0.888 0.000 1.099 668 S CA -0.611 57.123 58.200 -0.777 0.000 1.070 668 S CB 1.269 64.032 63.200 -0.727 0.000 0.998 668 S HN 0.699 nan 8.310 nan 0.000 0.474 669 I N 3.571 123.727 120.570 -0.691 0.000 2.545 669 I HA 0.518 4.688 4.170 -0.000 0.000 0.292 669 I C -0.419 175.591 176.117 -0.179 0.000 1.040 669 I CA -1.176 59.843 61.300 -0.468 0.000 1.068 669 I CB 1.563 39.279 38.000 -0.472 0.000 1.251 669 I HN 0.511 nan 8.210 nan 0.000 0.424 670 V N 5.013 124.872 119.914 -0.092 0.000 2.715 670 V HA 0.307 4.427 4.120 -0.000 0.000 0.299 670 V C -1.996 174.071 176.094 -0.044 0.000 1.054 670 V CA -0.757 61.516 62.300 -0.045 0.000 1.077 670 V CB 0.469 32.271 31.823 -0.035 0.000 0.972 670 V HN 0.698 nan 8.190 nan 0.000 0.484 671 P HA -0.152 nan 4.420 nan 0.000 0.217 671 P C 1.252 178.542 177.300 -0.016 0.000 1.162 671 P CA 1.932 65.018 63.100 -0.022 0.000 0.901 671 P CB -0.031 31.659 31.700 -0.017 0.000 0.793 672 N N -1.001 117.688 118.700 -0.018 0.000 2.364 672 N HA -0.089 4.651 4.740 -0.000 0.000 0.183 672 N C 1.558 177.061 175.510 -0.011 0.000 1.022 672 N CA 1.248 54.290 53.050 -0.013 0.000 0.883 672 N CB -0.826 37.652 38.487 -0.016 0.000 0.965 672 N HN 0.115 nan 8.380 nan 0.000 0.438 673 A N 0.262 123.073 122.820 -0.014 0.000 2.014 673 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 673 A C 2.152 179.737 177.584 0.002 0.000 1.163 673 A CA 0.657 52.690 52.037 -0.008 0.000 0.652 673 A CB -0.315 18.676 19.000 -0.015 0.000 0.808 673 A HN 0.220 nan 8.150 nan 0.000 0.449 674 L N -1.909 119.314 121.223 0.001 0.000 2.375 674 L HA 0.324 4.664 4.340 -0.000 0.000 0.215 674 L C 1.188 178.062 176.870 0.007 0.000 1.108 674 L CA 0.534 55.378 54.840 0.007 0.000 0.830 674 L CB -0.008 42.054 42.059 0.007 0.000 0.959 674 L HN 0.559 nan 8.230 nan 0.000 0.457 675 G N -0.930 107.873 108.800 0.004 0.000 2.337 675 G HA2 0.024 3.984 3.960 -0.000 0.000 0.298 675 G HA3 0.024 3.984 3.960 -0.000 0.000 0.298 675 G C -0.468 174.435 174.900 0.005 0.000 1.335 675 G CA -0.643 44.461 45.100 0.006 0.000 0.875 675 G HN -0.153 nan 8.290 nan 0.000 0.579 676 K N -0.495 119.909 120.400 0.006 0.000 2.314 676 K HA 0.192 4.512 4.320 -0.000 0.000 0.198 676 K C 0.264 176.869 176.600 0.008 0.000 1.045 676 K CA 1.426 57.716 56.287 0.005 0.000 0.988 676 K CB 0.145 32.648 32.500 0.005 0.000 0.783 676 K HN 0.686 nan 8.250 nan 0.000 0.484 677 D N -1.876 118.532 120.400 0.013 0.000 2.570 677 D HA 0.124 4.764 4.640 -0.000 0.000 0.244 677 D C -0.181 176.133 176.300 0.023 0.000 1.178 677 D CA -0.729 53.281 54.000 0.017 0.000 0.881 677 D CB 0.974 41.785 40.800 0.017 0.000 1.453 677 D HN -0.340 nan 8.370 nan 0.000 0.447 678 D N -0.232 120.185 120.400 0.028 0.000 2.123 678 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 678 D C 1.551 177.878 176.300 0.044 0.000 0.992 678 D CA 1.121 55.144 54.000 0.038 0.000 0.833 678 D CB 0.092 40.919 40.800 0.046 0.000 0.954 678 D HN 0.434 nan 8.370 nan 0.000 0.455 679 E N 0.311 120.537 120.200 0.043 0.000 2.085 679 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 679 E C 2.431 179.057 176.600 0.044 0.000 0.994 679 E CA 0.399 56.828 56.400 0.048 0.000 0.801 679 E CB -0.277 29.448 29.700 0.042 0.000 0.743 679 E HN 0.210 nan 8.360 nan 0.000 0.453 680 V N 1.241 121.176 119.914 0.034 0.000 2.379 680 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 680 V C 2.393 178.504 176.094 0.028 0.000 1.044 680 V CA 1.551 63.868 62.300 0.029 0.000 1.036 680 V CB -0.462 31.374 31.823 0.021 0.000 0.664 680 V HN 0.163 nan 8.190 nan 0.000 0.453 681 R N 0.373 120.890 120.500 0.027 0.000 2.073 681 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 681 R C 2.441 178.757 176.300 0.027 0.000 1.134 681 R CA 1.553 57.666 56.100 0.022 0.000 0.952 681 R CB -0.375 29.938 30.300 0.020 0.000 0.850 681 R HN 0.502 nan 8.270 nan 0.000 0.433 682 K N -0.183 120.243 120.400 0.043 0.000 2.032 682 K HA -0.108 4.212 4.320 -0.000 0.000 0.209 682 K C 2.192 178.830 176.600 0.063 0.000 1.048 682 K CA 1.939 58.261 56.287 0.059 0.000 0.927 682 K CB -0.268 32.283 32.500 0.085 0.000 0.712 682 K HN 0.163 nan 8.250 nan 0.000 0.441 683 T N 1.576 116.167 114.554 0.062 0.000 2.708 683 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 683 T C 1.630 176.359 174.700 0.048 0.000 1.037 683 T CA 1.405 63.544 62.100 0.065 0.000 1.146 683 T CB -0.248 68.653 68.868 0.055 0.000 0.865 683 T HN 0.188 nan 8.240 nan 0.000 0.435 684 N N 1.091 119.807 118.700 0.028 0.000 2.142 684 N HA 0.047 4.787 4.740 -0.000 0.000 0.186 684 N C 1.821 177.319 175.510 -0.019 0.000 1.023 684 N CA 0.581 53.636 53.050 0.008 0.000 0.852 684 N CB -0.598 37.892 38.487 0.006 0.000 0.998 684 N HN 0.301 nan 8.380 nan 0.000 0.424 685 L N 0.706 121.913 121.223 -0.027 0.000 1.994 685 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 685 L C 2.100 178.882 176.870 -0.146 0.000 1.071 685 L CA 1.443 56.229 54.840 -0.091 0.000 0.745 685 L CB -0.380 41.632 42.059 -0.077 0.000 0.892 685 L HN 0.115 nan 8.230 nan 0.000 0.431 686 A N -0.301 122.500 122.820 -0.032 0.000 1.940 686 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 686 A C 2.253 179.892 177.584 0.091 0.000 1.176 686 A CA 1.689 53.780 52.037 0.089 0.000 0.631 686 A CB -1.360 17.810 19.000 0.283 0.000 0.814 686 A HN 0.572 nan 8.150 nan 0.000 0.446 687 G N -0.375 108.454 108.800 0.048 0.000 2.402 687 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.216 687 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.216 687 G C 1.553 176.435 174.900 -0.031 0.000 1.162 687 G CA 0.902 46.028 45.100 0.042 0.000 0.777 687 G HN 0.423 nan 8.290 nan 0.000 0.539 688 L N -0.085 121.070 121.223 -0.115 0.000 2.042 688 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 688 L C 3.122 179.821 176.870 -0.285 0.000 1.076 688 L CA 1.218 55.934 54.840 -0.205 0.000 0.749 688 L CB -0.292 41.601 42.059 -0.277 0.000 0.893 688 L HN 0.262 nan 8.230 nan 0.000 0.432 689 M N -1.085 118.281 119.600 -0.390 0.000 2.175 689 M HA -0.185 4.295 4.480 -0.000 0.000 0.264 689 M C 1.683 177.860 176.300 -0.206 0.000 1.063 689 M CA 1.311 56.277 55.300 -0.557 0.000 1.119 689 M CB -0.507 31.452 32.600 -1.068 0.000 1.377 689 M HN 0.183 nan 8.290 nan 0.000 0.415 690 D N 0.458 120.903 120.400 0.076 0.000 2.144 690 D HA -0.084 4.556 4.640 -0.000 0.000 0.199 690 D C 2.044 178.485 176.300 0.234 0.000 0.984 690 D CA 1.539 55.759 54.000 0.367 0.000 0.834 690 D CB -0.304 40.709 40.800 0.355 0.000 0.955 690 D HN 0.434 nan 8.370 nan 0.000 0.465 691 G N -0.544 108.306 108.800 0.084 0.000 2.403 691 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 691 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 691 G C 1.585 176.519 174.900 0.058 0.000 1.154 691 G CA 0.355 45.487 45.100 0.054 0.000 0.784 691 G HN 0.263 nan 8.290 nan 0.000 0.538 692 Y N 0.854 121.018 120.300 -0.226 0.000 2.200 692 Y HA 0.057 4.607 4.550 -0.000 0.000 0.290 692 Y C 1.974 177.697 175.900 -0.294 0.000 1.137 692 Y CA 1.071 58.944 58.100 -0.378 0.000 1.163 692 Y CB -0.269 37.755 38.460 -0.726 0.000 0.988 692 Y HN 0.190 nan 8.280 nan 0.000 0.518 693 F N -1.081 118.846 119.950 -0.038 0.000 2.797 693 F HA 0.047 4.574 4.527 -0.000 0.000 0.302 693 F C 0.698 176.540 175.800 0.070 0.000 1.130 693 F CA 0.123 58.091 58.000 -0.053 0.000 1.387 693 F CB -0.614 38.441 39.000 0.093 0.000 1.107 693 F HN 0.004 nan 8.300 nan 0.000 0.577 694 H N 0.886 120.062 119.070 0.176 0.000 3.216 694 H HA -0.102 4.454 4.556 -0.000 0.000 0.283 694 H C -0.445 174.976 175.328 0.156 0.000 0.921 694 H CA 0.207 56.350 56.048 0.159 0.000 1.419 694 H CB -0.288 29.527 29.762 0.088 0.000 1.460 694 H HN 0.145 nan 8.280 nan 0.000 0.553 695 H N 3.873 122.675 119.070 -0.446 0.000 2.466 695 H HA 0.443 4.999 4.556 -0.000 0.000 0.338 695 H C -0.606 174.463 175.328 -0.430 0.000 1.091 695 H CA -0.625 55.225 56.048 -0.330 0.000 1.207 695 H CB 0.782 30.462 29.762 -0.137 0.000 1.466 695 H HN 0.842 nan 8.280 nan 0.000 0.493 696 E N 2.356 122.080 120.200 -0.793 0.000 2.429 696 E HA 0.516 4.866 4.350 -0.000 0.000 0.276 696 E C 0.000 176.291 176.600 -0.516 0.000 0.953 696 E CA -0.426 55.671 56.400 -0.506 0.000 0.787 696 E CB 1.697 31.269 29.700 -0.214 0.000 1.307 696 E HN 0.692 nan 8.360 nan 0.000 0.458 697 A N 0.520 123.179 122.820 -0.269 0.000 2.070 697 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 697 A C 1.596 179.114 177.584 -0.110 0.000 1.159 697 A CA 2.081 54.018 52.037 -0.166 0.000 0.656 697 A CB -0.372 18.582 19.000 -0.077 0.000 0.800 697 A HN 0.456 nan 8.150 nan 0.000 0.453 698 S N -1.883 113.761 115.700 -0.094 0.000 2.523 698 S HA 0.404 4.874 4.470 -0.000 0.000 0.217 698 S C 0.185 174.765 174.600 -0.033 0.000 0.996 698 S CA -0.288 57.888 58.200 -0.041 0.000 0.921 698 S CB 0.260 63.452 63.200 -0.014 0.000 0.829 698 S HN 0.189 nan 8.310 nan 0.000 0.495 699 I N 2.304 122.826 120.570 -0.079 0.000 2.448 699 I HA 0.388 4.558 4.170 -0.000 0.000 0.281 699 I C 1.023 177.094 176.117 -0.076 0.000 1.027 699 I CA -0.399 60.878 61.300 -0.039 0.000 1.111 699 I CB 1.460 39.474 38.000 0.024 0.000 1.236 699 I HN 0.236 nan 8.210 nan 0.000 0.452 700 E N 5.039 125.256 120.200 0.027 0.000 2.031 700 E HA 0.050 4.400 4.350 -0.000 0.000 0.193 700 E C 0.893 177.603 176.600 0.182 0.000 0.994 700 E CA 1.212 57.699 56.400 0.145 0.000 0.800 700 E CB 0.275 30.064 29.700 0.148 0.000 0.752 700 E HN 0.906 nan 8.360 nan 0.000 0.447 701 G N -0.945 107.890 108.800 0.059 0.000 2.707 701 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.686 701 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.686 701 G C 0.079 174.884 174.900 -0.159 0.000 1.315 701 G CA -0.543 44.535 45.100 -0.037 0.000 0.832 701 G HN 0.540 nan 8.290 nan 0.000 0.573 702 G N -1.090 107.403 108.800 -0.512 0.000 2.569 702 G HA2 0.495 4.455 3.960 -0.000 0.000 0.249 702 G HA3 0.495 4.455 3.960 -0.000 0.000 0.249 702 G C 0.667 175.452 174.900 -0.192 0.000 1.216 702 G CA 0.885 45.539 45.100 -0.743 0.000 0.845 702 G HN 0.804 nan 8.290 nan 0.000 0.568 703 Q N -0.976 118.845 119.800 0.036 0.000 2.442 703 Q HA 0.001 4.341 4.340 -0.000 0.000 0.228 703 Q C 0.073 176.323 176.000 0.417 0.000 0.902 703 Q CA 0.415 56.274 55.803 0.094 0.000 0.933 703 Q CB 0.297 28.997 28.738 -0.064 0.000 1.071 703 Q HN 0.747 nan 8.270 nan 0.000 0.562 704 H N -0.726 118.629 119.070 0.474 0.000 2.961 704 H HA 0.526 5.081 4.556 -0.000 0.000 0.371 704 H C -2.029 173.661 175.328 0.602 0.000 1.190 704 H CA -0.778 55.588 56.048 0.531 0.000 1.138 704 H CB 1.750 31.733 29.762 0.367 0.000 1.816 704 H HN 0.117 nan 8.280 nan 0.000 0.551 705 L N 4.106 125.075 121.223 -0.425 0.000 2.580 705 L HA 0.331 4.671 4.340 -0.000 0.000 0.266 705 L C -1.617 174.999 176.870 -0.423 0.000 0.955 705 L CA -0.457 54.145 54.840 -0.395 0.000 0.886 705 L CB 1.542 43.449 42.059 -0.254 0.000 1.263 705 L HN 0.579 nan 8.230 nan 0.000 0.406 706 N N 3.181 121.687 118.700 -0.324 0.000 2.499 706 N HA 0.538 5.278 4.740 -0.000 0.000 0.281 706 N C -1.149 174.331 175.510 -0.050 0.000 1.098 706 N CA -0.147 52.871 53.050 -0.053 0.000 0.979 706 N CB 2.224 40.750 38.487 0.065 0.000 1.121 706 N HN 0.384 nan 8.380 nan 0.000 0.466 707 V N 3.426 123.361 119.914 0.035 0.000 2.376 707 V HA 0.332 4.452 4.120 -0.000 0.000 0.287 707 V C -0.400 175.682 176.094 -0.021 0.000 1.015 707 V CA -0.913 61.410 62.300 0.038 0.000 0.834 707 V CB 1.185 33.056 31.823 0.079 0.000 1.001 707 V HN 0.515 nan 8.190 nan 0.000 0.428 708 N N 3.373 122.007 118.700 -0.109 0.000 2.392 708 N HA 0.535 5.275 4.740 -0.000 0.000 0.283 708 N C -0.843 174.577 175.510 -0.150 0.000 1.003 708 N CA -0.310 52.660 53.050 -0.133 0.000 0.892 708 N CB 2.541 40.916 38.487 -0.187 0.000 1.193 708 N HN 0.366 nan 8.380 nan 0.000 0.487 709 V N 4.449 124.309 119.914 -0.089 0.000 2.284 709 V HA 0.498 4.617 4.120 -0.000 0.000 0.274 709 V C 0.183 176.247 176.094 -0.051 0.000 1.023 709 V CA -0.382 61.873 62.300 -0.075 0.000 0.808 709 V CB -0.065 31.733 31.823 -0.042 0.000 1.035 709 V HN 0.679 nan 8.190 nan 0.000 0.445 710 M N 2.859 122.436 119.600 -0.038 0.000 2.949 710 M HA 0.631 5.111 4.480 -0.000 0.000 0.270 710 M C -1.948 174.348 176.300 -0.007 0.000 1.221 710 M CA -0.796 54.491 55.300 -0.022 0.000 0.818 710 M CB 2.468 35.053 32.600 -0.025 0.000 1.635 710 M HN 0.231 nan 8.290 nan 0.000 0.492 711 N N 0.172 118.821 118.700 -0.084 0.000 2.362 711 N HA 0.451 5.191 4.740 -0.000 0.000 0.298 711 N C 0.101 175.393 175.510 -0.363 0.000 1.048 711 N CA -0.829 52.110 53.050 -0.185 0.000 0.858 711 N CB 2.420 40.819 38.487 -0.147 0.000 1.218 711 N HN 0.654 nan 8.380 nan 0.000 0.488 712 R N 1.324 121.391 120.500 -0.721 0.000 2.105 712 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 712 R C 0.634 176.661 176.300 -0.455 0.000 1.135 712 R CA 1.721 57.260 56.100 -0.935 0.000 0.967 712 R CB 0.108 29.709 30.300 -1.165 0.000 0.861 712 R HN 0.604 nan 8.270 nan 0.000 0.442 713 E N 0.171 120.178 120.200 -0.323 0.000 2.118 713 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 713 E C 1.817 178.309 176.600 -0.181 0.000 0.992 713 E CA 1.476 57.755 56.400 -0.201 0.000 0.804 713 E CB -0.201 29.414 29.700 -0.142 0.000 0.741 713 E HN 0.282 nan 8.360 nan 0.000 0.458 714 M N 0.108 119.586 119.600 -0.204 0.000 2.117 714 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 714 M C 1.859 177.929 176.300 -0.383 0.000 1.065 714 M CA 1.540 56.716 55.300 -0.208 0.000 1.114 714 M CB -0.257 32.243 32.600 -0.168 0.000 1.361 714 M HN 0.182 nan 8.290 nan 0.000 0.408 715 L N -0.154 120.811 121.223 -0.431 0.000 2.141 715 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 715 L C 2.403 179.074 176.870 -0.330 0.000 1.094 715 L CA 0.704 55.177 54.840 -0.612 0.000 0.763 715 L CB -0.662 41.034 42.059 -0.606 0.000 0.908 715 L HN 0.320 nan 8.230 nan 0.000 0.437 716 L N -0.315 120.788 121.223 -0.200 0.000 2.083 716 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 716 L C 2.228 179.070 176.870 -0.047 0.000 1.083 716 L CA 1.323 56.116 54.840 -0.079 0.000 0.752 716 L CB -0.549 41.462 42.059 -0.080 0.000 0.899 716 L HN 0.290 nan 8.230 nan 0.000 0.433 717 D N 0.120 120.471 120.400 -0.080 0.000 2.144 717 D HA -0.139 4.501 4.640 -0.000 0.000 0.200 717 D C 2.150 178.468 176.300 0.029 0.000 0.978 717 D CA 1.257 55.262 54.000 0.008 0.000 0.833 717 D CB 0.195 41.037 40.800 0.070 0.000 0.961 717 D HN 0.220 nan 8.370 nan 0.000 0.470 718 A N -0.019 122.666 122.820 -0.225 0.000 1.933 718 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 718 A C 2.323 179.992 177.584 0.143 0.000 1.175 718 A CA 1.300 53.202 52.037 -0.225 0.000 0.628 718 A CB -0.576 18.044 19.000 -0.632 0.000 0.814 718 A HN 0.295 nan 8.150 nan 0.000 0.444 719 M N -0.829 118.884 119.600 0.188 0.000 2.117 719 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 719 M C 1.934 178.298 176.300 0.106 0.000 1.065 719 M CA 1.299 56.715 55.300 0.193 0.000 1.114 719 M CB -0.281 32.425 32.600 0.178 0.000 1.361 719 M HN 0.333 nan 8.290 nan 0.000 0.408 720 E N 0.278 120.531 120.200 0.089 0.000 2.112 720 E HA 0.030 4.380 4.350 -0.000 0.000 0.190 720 E C 0.237 176.891 176.600 0.090 0.000 0.979 720 E CA 0.760 57.203 56.400 0.073 0.000 0.814 720 E CB -0.109 29.626 29.700 0.058 0.000 0.762 720 E HN 0.501 nan 8.360 nan 0.000 0.460 721 N N 1.366 120.147 118.700 0.134 0.000 2.851 721 N HA 0.174 4.914 4.740 -0.000 0.000 0.248 721 N C -2.246 173.400 175.510 0.228 0.000 1.221 721 N CA -1.178 51.965 53.050 0.156 0.000 0.847 721 N CB 1.780 40.360 38.487 0.155 0.000 1.150 721 N HN -0.103 nan 8.380 nan 0.000 0.507 722 P HA -0.121 nan 4.420 nan 0.000 0.214 722 P C 1.174 178.580 177.300 0.178 0.000 1.163 722 P CA 1.168 64.378 63.100 0.183 0.000 0.883 722 P CB 0.461 32.224 31.700 0.106 0.000 0.788 723 E N -0.183 120.080 120.200 0.105 0.000 2.333 723 E HA -0.228 4.122 4.350 -0.000 0.000 0.200 723 E C 1.774 178.393 176.600 0.032 0.000 1.010 723 E CA 1.033 57.468 56.400 0.059 0.000 0.841 723 E CB -0.459 29.259 29.700 0.031 0.000 0.757 723 E HN 0.397 nan 8.360 nan 0.000 0.508 724 K N -0.271 120.154 120.400 0.040 0.000 2.365 724 K HA -0.062 4.258 4.320 -0.000 0.000 0.197 724 K C -0.057 176.345 176.600 -0.330 0.000 1.042 724 K CA 0.453 56.648 56.287 -0.154 0.000 0.987 724 K CB 0.300 32.678 32.500 -0.204 0.000 0.779 724 K HN 0.041 nan 8.250 nan 0.000 0.484 725 Y N -0.202 120.124 120.300 0.043 0.000 2.495 725 Y HA 0.280 4.830 4.550 -0.000 0.000 0.362 725 Y C -2.196 173.741 175.900 0.061 0.000 0.956 725 Y CA -2.313 55.818 58.100 0.052 0.000 1.127 725 Y CB 1.258 39.758 38.460 0.066 0.000 1.173 725 Y HN 0.094 nan 8.280 nan 0.000 0.639 726 P HA -0.155 nan 4.420 nan 0.000 0.216 726 P C 0.702 178.068 177.300 0.110 0.000 1.150 726 P CA 1.714 64.870 63.100 0.093 0.000 0.837 726 P CB 0.372 32.091 31.700 0.032 0.000 0.786 727 Q N -1.359 118.518 119.800 0.129 0.000 2.179 727 Q HA 0.170 4.510 4.340 -0.000 0.000 0.213 727 Q C 0.023 176.106 176.000 0.138 0.000 0.833 727 Q CA -0.615 55.273 55.803 0.141 0.000 0.990 727 Q CB 0.062 28.896 28.738 0.161 0.000 1.132 727 Q HN 0.145 nan 8.270 nan 0.000 0.493 728 L N 1.984 123.311 121.223 0.174 0.000 2.584 728 L HA 0.032 4.372 4.340 -0.000 0.000 0.272 728 L C -0.582 176.356 176.870 0.112 0.000 1.195 728 L CA 1.326 56.258 54.840 0.153 0.000 0.920 728 L CB 0.536 42.704 42.059 0.181 0.000 1.173 728 L HN -0.108 nan 8.230 nan 0.000 0.489 729 T N 7.135 121.724 114.554 0.059 0.000 2.863 729 T HA 0.748 5.098 4.350 -0.000 0.000 0.285 729 T C -0.386 174.312 174.700 -0.003 0.000 1.009 729 T CA -0.290 61.830 62.100 0.034 0.000 0.989 729 T CB 1.278 70.152 68.868 0.010 0.000 1.004 729 T HN 0.626 nan 8.240 nan 0.000 0.455 730 I N -0.909 119.654 120.570 -0.011 0.000 2.894 730 I HA 0.713 4.883 4.170 -0.000 0.000 0.302 730 I C -0.825 175.237 176.117 -0.092 0.000 1.188 730 I CA -1.482 59.791 61.300 -0.046 0.000 1.014 730 I CB 1.906 39.891 38.000 -0.026 0.000 1.242 730 I HN 0.197 nan 8.210 nan 0.000 0.430 731 R N 3.257 123.698 120.500 -0.098 0.000 2.308 731 R HA 0.388 4.728 4.340 -0.000 0.000 0.305 731 R C 0.598 176.812 176.300 -0.145 0.000 1.053 731 R CA -0.303 55.728 56.100 -0.113 0.000 0.957 731 R CB 1.682 31.956 30.300 -0.044 0.000 1.022 731 R HN 0.814 nan 8.270 nan 0.000 0.461 732 V N -1.783 117.992 119.914 -0.231 0.000 3.480 732 V HA 0.280 4.400 4.120 -0.000 0.000 0.263 732 V C 0.919 176.996 176.094 -0.027 0.000 1.442 732 V CA 0.389 62.586 62.300 -0.171 0.000 1.053 732 V CB 0.965 32.649 31.823 -0.231 0.000 0.846 732 V HN 0.634 nan 8.190 nan 0.000 0.440 733 S N -0.720 115.019 115.700 0.065 0.000 2.423 733 S HA 0.460 4.930 4.470 -0.000 0.000 0.243 733 S C 0.885 175.727 174.600 0.403 0.000 0.939 733 S CA 0.869 59.243 58.200 0.291 0.000 1.552 733 S CB 0.702 64.151 63.200 0.415 0.000 1.245 733 S HN 1.541 nan 8.310 nan 0.000 0.635 734 G N 1.062 110.140 108.800 0.463 0.000 3.136 734 G HA2 0.178 4.138 3.960 -0.000 0.000 0.221 734 G HA3 0.178 4.138 3.960 -0.000 0.000 0.221 734 G C -0.508 174.784 174.900 0.654 0.000 0.961 734 G CA 0.184 45.553 45.100 0.448 0.000 0.983 734 G HN 0.941 nan 8.290 nan 0.000 0.648 735 Y N -2.620 117.805 120.300 0.209 0.000 2.852 735 Y HA 0.775 5.325 4.550 -0.000 0.000 0.350 735 Y C -0.546 175.345 175.900 -0.015 0.000 1.272 735 Y CA -1.154 56.957 58.100 0.020 0.000 1.086 735 Y CB 0.390 38.644 38.460 -0.345 0.000 1.408 735 Y HN 0.884 nan 8.280 nan 0.000 0.447 736 A N 0.908 123.631 122.820 -0.161 0.000 2.350 736 A HA 0.935 5.255 4.320 -0.000 0.000 0.318 736 A C -0.875 176.578 177.584 -0.218 0.000 1.132 736 A CA -0.262 51.636 52.037 -0.230 0.000 0.811 736 A CB 1.580 20.527 19.000 -0.088 0.000 1.313 736 A HN 1.859 nan 8.150 nan 0.000 0.454 737 V N -1.831 117.986 119.914 -0.162 0.000 3.147 737 V HA 0.666 4.786 4.120 -0.000 0.000 0.306 737 V C -0.668 175.432 176.094 0.010 0.000 1.209 737 V CA -1.194 61.070 62.300 -0.059 0.000 1.023 737 V CB 1.661 33.446 31.823 -0.064 0.000 1.059 737 V HN 0.918 nan 8.190 nan 0.000 0.435 738 R N 1.367 121.894 120.500 0.045 0.000 2.347 738 R HA 0.331 4.671 4.340 -0.000 0.000 0.304 738 R C 0.586 176.956 176.300 0.117 0.000 1.072 738 R CA -0.315 55.838 56.100 0.089 0.000 0.980 738 R CB 0.646 30.996 30.300 0.084 0.000 0.986 738 R HN 0.855 nan 8.270 nan 0.000 0.448 739 F N 3.121 123.070 119.950 -0.002 0.000 2.115 739 F HA -0.287 4.240 4.527 -0.000 0.000 0.300 739 F C 1.447 177.256 175.800 0.016 0.000 1.092 739 F CA 1.891 59.885 58.000 -0.011 0.000 1.245 739 F CB 0.035 39.007 39.000 -0.047 0.000 0.995 739 F HN 0.519 nan 8.300 nan 0.000 0.481 740 N N -0.149 118.577 118.700 0.044 0.000 2.573 740 N HA -0.117 4.623 4.740 -0.000 0.000 0.187 740 N C 1.935 177.431 175.510 -0.022 0.000 1.107 740 N CA 1.112 54.149 53.050 -0.021 0.000 0.918 740 N CB -0.616 37.914 38.487 0.073 0.000 0.966 740 N HN 0.454 nan 8.380 nan 0.000 0.448 741 S N -0.605 115.091 115.700 -0.006 0.000 2.527 741 S HA 0.117 4.587 4.470 -0.000 0.000 0.222 741 S C 0.833 175.497 174.600 0.107 0.000 0.985 741 S CA -0.198 58.028 58.200 0.044 0.000 0.921 741 S CB -0.046 63.171 63.200 0.028 0.000 0.772 741 S HN 0.094 nan 8.310 nan 0.000 0.529 742 L N 2.507 123.718 121.223 -0.020 0.000 2.456 742 L HA 0.378 4.718 4.340 -0.000 0.000 0.257 742 L C 1.090 177.916 176.870 -0.073 0.000 1.162 742 L CA -0.663 54.166 54.840 -0.018 0.000 0.808 742 L CB 0.757 42.721 42.059 -0.157 0.000 1.136 742 L HN 0.248 nan 8.230 nan 0.000 0.466 743 T N -2.668 111.829 114.554 -0.095 0.000 2.788 743 T HA 0.131 4.481 4.350 -0.000 0.000 0.280 743 T C 0.971 175.580 174.700 -0.152 0.000 0.984 743 T CA -0.717 61.259 62.100 -0.207 0.000 0.972 743 T CB 1.268 70.013 68.868 -0.205 0.000 1.039 743 T HN 0.455 nan 8.240 nan 0.000 0.530 744 K N 0.389 120.710 120.400 -0.130 0.000 2.032 744 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 744 K C 2.151 178.719 176.600 -0.054 0.000 1.048 744 K CA 1.932 58.167 56.287 -0.087 0.000 0.927 744 K CB -0.566 31.898 32.500 -0.061 0.000 0.712 744 K HN 0.912 nan 8.250 nan 0.000 0.441 745 E N 0.446 120.618 120.200 -0.047 0.000 2.077 745 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 745 E C 1.978 178.575 176.600 -0.005 0.000 0.989 745 E CA 1.288 57.676 56.400 -0.020 0.000 0.800 745 E CB 0.074 29.760 29.700 -0.023 0.000 0.746 745 E HN 0.361 nan 8.360 nan 0.000 0.452 746 Q N -0.048 119.740 119.800 -0.020 0.000 2.124 746 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 746 Q C 2.291 178.295 176.000 0.006 0.000 0.977 746 Q CA 1.498 57.302 55.803 0.002 0.000 0.850 746 Q CB 0.006 28.746 28.738 0.002 0.000 0.901 746 Q HN 0.384 nan 8.270 nan 0.000 0.429 747 Q N 0.038 119.807 119.800 -0.052 0.000 2.119 747 Q HA -0.223 4.117 4.340 -0.000 0.000 0.201 747 Q C 2.068 178.132 176.000 0.107 0.000 0.972 747 Q CA 1.076 56.859 55.803 -0.034 0.000 0.847 747 Q CB -0.001 28.616 28.738 -0.201 0.000 0.903 747 Q HN 0.233 nan 8.270 nan 0.000 0.433 748 Q N 1.207 121.050 119.800 0.070 0.000 2.096 748 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 748 Q C 1.506 177.589 176.000 0.138 0.000 0.982 748 Q CA 1.940 57.800 55.803 0.095 0.000 0.850 748 Q CB -0.282 28.491 28.738 0.057 0.000 0.901 748 Q HN 0.338 nan 8.270 nan 0.000 0.422 749 D N -1.233 119.249 120.400 0.137 0.000 2.097 749 D HA -0.131 4.509 4.640 -0.000 0.000 0.195 749 D C 1.736 178.166 176.300 0.216 0.000 0.989 749 D CA 1.513 55.640 54.000 0.212 0.000 0.827 749 D CB -0.224 40.682 40.800 0.176 0.000 0.966 749 D HN 0.177 nan 8.370 nan 0.000 0.456 750 V N 1.738 121.752 119.914 0.167 0.000 2.287 750 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 750 V C 2.658 178.871 176.094 0.199 0.000 1.053 750 V CA 1.971 64.361 62.300 0.149 0.000 1.027 750 V CB -0.836 31.128 31.823 0.235 0.000 0.646 750 V HN 0.482 nan 8.190 nan 0.000 0.447 751 I N 0.049 120.778 120.570 0.265 0.000 2.676 751 I HA -0.101 4.069 4.170 -0.000 0.000 0.259 751 I C 2.094 178.404 176.117 0.321 0.000 1.194 751 I CA 1.776 63.260 61.300 0.306 0.000 1.473 751 I CB -0.834 37.276 38.000 0.183 0.000 1.096 751 I HN 0.456 nan 8.210 nan 0.000 0.443 752 T N -1.765 112.948 114.554 0.265 0.000 3.107 752 T HA 0.269 4.619 4.350 -0.000 0.000 0.249 752 T C 0.988 175.846 174.700 0.264 0.000 1.096 752 T CA -0.363 61.902 62.100 0.275 0.000 1.012 752 T CB -0.149 68.885 68.868 0.276 0.000 0.977 752 T HN 0.339 nan 8.240 nan 0.000 0.527 753 R N 1.381 121.924 120.500 0.071 0.000 2.652 753 R HA 0.391 4.731 4.340 -0.000 0.000 0.271 753 R C -0.122 176.078 176.300 -0.167 0.000 1.129 753 R CA -0.348 55.584 56.100 -0.281 0.000 1.200 753 R CB 0.056 30.084 30.300 -0.454 0.000 1.146 753 R HN 0.114 nan 8.270 nan 0.000 0.581 754 T N 2.112 116.528 114.554 -0.231 0.000 2.799 754 T HA 0.149 4.499 4.350 -0.000 0.000 0.296 754 T C -0.536 173.957 174.700 -0.345 0.000 0.947 754 T CA 0.339 62.354 62.100 -0.142 0.000 1.141 754 T CB -0.050 68.775 68.868 -0.071 0.000 0.891 754 T HN 0.194 nan 8.240 nan 0.000 0.533 755 F N 2.467 122.342 119.950 -0.125 0.000 2.293 755 F HA 0.238 4.765 4.527 -0.000 0.000 0.370 755 F C 1.211 176.909 175.800 -0.169 0.000 1.090 755 F CA -0.936 56.959 58.000 -0.175 0.000 1.133 755 F CB 0.572 39.486 39.000 -0.142 0.000 1.360 755 F HN 0.403 nan 8.300 nan 0.000 0.489 756 T N 3.828 118.291 114.554 -0.152 0.000 2.792 756 T HA -0.042 4.308 4.350 -0.000 0.000 0.286 756 T C 1.149 175.813 174.700 -0.060 0.000 0.970 756 T CA -0.055 61.974 62.100 -0.118 0.000 1.187 756 T CB 0.492 69.231 68.868 -0.215 0.000 0.915 756 T HN 0.488 nan 8.240 nan 0.000 0.529 757 Q N 1.519 121.309 119.800 -0.016 0.000 2.408 757 Q HA 0.136 4.476 4.340 -0.000 0.000 0.205 757 Q C 0.954 176.948 176.000 -0.010 0.000 0.919 757 Q CA 0.165 55.960 55.803 -0.012 0.000 0.932 757 Q CB 0.343 29.078 28.738 -0.006 0.000 1.058 757 Q HN 0.832 nan 8.270 nan 0.000 0.517 758 S N -1.744 113.955 115.700 -0.001 0.000 2.611 758 S HA 0.591 5.061 4.470 -0.000 0.000 0.268 758 S C -0.373 174.242 174.600 0.024 0.000 1.156 758 S CA -0.906 57.297 58.200 0.006 0.000 0.817 758 S CB 1.387 64.587 63.200 0.000 0.000 1.122 758 S HN 0.002 nan 8.310 nan 0.000 0.466 759 M N 0.000 119.612 119.600 0.020 0.000 2.572 759 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 759 M CA 0.000 55.314 55.300 0.023 0.000 0.988 759 M CB 0.000 32.606 32.600 0.011 0.000 1.302 759 M HN 0.000 nan 8.290 nan 0.000 0.411