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 2wva_1_Z DATA FIRST_RESID 2 DATA SEQUENCE SYTVGTYLAE RLVQIGLKHH FAVAGDYNLV LLDNLLLNKN MEQVYCCNEL DATA SEQUENCE NCGFSAEGYA RAKGAAAAVV TYSVGALSAF DAIGGAYAEN LPVILISGAP DATA SEQUENCE NNNDHAAGHV LHHALGKTDY HYQLEMAKNI TAAAEAIYTP EEAPAKIDHV DATA SEQUENCE IKTALREKKP VYLEIACNIA SMPCAAPGPA SALFNDEASD EASLNAAVEE DATA SEQUENCE TLKFIANRDK VAVLVGSKLR AAGAEEAAVK FADALGGAVA TMAAAKSFFP DATA SEQUENCE EENPHYIGTS WGEVSYPGVE KTMKEADAVI ALAPVFNDYS TTGWTDIPDP DATA SEQUENCE KKLVLAEPRS VVVNGIRFPS VHLKDYLTRL AQKVSKKTGA LDFFKSLNAG DATA SEQUENCE ELKKAAPADP SAPLVNAEIA RQVEALLTPN TTVIAETGDS WFNAQRMKLP DATA SEQUENCE NGARVEYEMQ WGHIGWSVPA AFGYAVGAPE RRNILMVGDG SFQLTAQEVA DATA SEQUENCE QMVRLKLPVI IFLINNYGYT IEVMIHDGPY NNIKNWDYAG LMEVFNGNGG DATA SEQUENCE YDSGAGKGLK AKTGGELAEA IKVALANTDG PTLIECFIGR EDCTEELVKW DATA SEQUENCE GKRVAAANSR KPVNK 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.493 174.600 -0.178 0.000 1.055 2 S CA 0.000 58.168 58.200 -0.053 0.000 1.107 2 S CB 0.000 63.211 63.200 0.018 0.000 0.593 3 Y N 1.127 121.455 120.300 0.047 0.000 2.457 3 Y HA 0.734 5.283 4.550 -0.001 0.000 0.333 3 Y C 1.184 177.122 175.900 0.063 0.000 1.119 3 Y CA 0.060 58.201 58.100 0.067 0.000 1.143 3 Y CB 2.118 40.653 38.460 0.125 0.000 1.230 3 Y HN 1.009 nan 8.280 nan 0.000 0.469 4 T N -2.753 111.924 114.554 0.205 0.000 2.949 4 T HA 0.346 4.696 4.350 -0.001 0.000 0.287 4 T C 0.866 175.661 174.700 0.158 0.000 1.034 4 T CA -0.746 61.434 62.100 0.133 0.000 1.018 4 T CB 1.057 69.969 68.868 0.072 0.000 1.135 4 T HN 0.357 nan 8.240 nan 0.000 0.532 5 V N 1.626 121.587 119.914 0.078 0.000 2.317 5 V HA -0.111 4.008 4.120 -0.001 0.000 0.251 5 V C 2.829 178.974 176.094 0.086 0.000 1.065 5 V CA 2.658 64.983 62.300 0.041 0.000 1.049 5 V CB -1.455 30.364 31.823 -0.007 0.000 0.651 5 V HN 1.108 nan 8.190 nan 0.000 0.450 6 G N -0.342 108.503 108.800 0.074 0.000 2.403 6 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.216 6 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.216 6 G C 1.735 176.689 174.900 0.091 0.000 1.154 6 G CA 1.372 46.508 45.100 0.060 0.000 0.784 6 G HN 0.586 nan 8.290 nan 0.000 0.538 7 T N -2.639 111.998 114.554 0.139 0.000 3.023 7 T HA -0.062 4.287 4.350 -0.001 0.000 0.266 7 T C 2.064 176.957 174.700 0.323 0.000 1.093 7 T CA 0.999 63.208 62.100 0.181 0.000 1.129 7 T CB -0.342 68.597 68.868 0.119 0.000 0.899 7 T HN 0.245 nan 8.240 nan 0.000 0.491 8 Y N 1.682 122.096 120.300 0.190 0.000 2.145 8 Y HA 0.052 4.602 4.550 -0.001 0.000 0.286 8 Y C 2.155 178.038 175.900 -0.028 0.000 1.145 8 Y CA 1.185 59.300 58.100 0.025 0.000 1.148 8 Y CB -0.591 37.847 38.460 -0.036 0.000 0.981 8 Y HN 0.228 nan 8.280 nan 0.000 0.507 9 L N 0.678 122.044 121.223 0.239 0.000 2.012 9 L HA -0.129 4.211 4.340 -0.001 0.000 0.210 9 L C 2.438 179.302 176.870 -0.011 0.000 1.073 9 L CA 2.262 57.160 54.840 0.097 0.000 0.748 9 L CB -1.379 40.702 42.059 0.037 0.000 0.891 9 L HN 0.250 nan 8.230 nan 0.000 0.431 10 A N -0.742 122.071 122.820 -0.012 0.000 1.908 10 A HA -0.280 4.039 4.320 -0.001 0.000 0.218 10 A C 2.260 179.826 177.584 -0.031 0.000 1.181 10 A CA 1.898 53.908 52.037 -0.046 0.000 0.627 10 A CB -0.783 18.206 19.000 -0.018 0.000 0.818 10 A HN 0.595 nan 8.150 nan 0.000 0.445 11 E N -0.187 120.001 120.200 -0.020 0.000 2.047 11 E HA -0.168 4.181 4.350 -0.001 0.000 0.191 11 E C 2.175 178.702 176.600 -0.122 0.000 0.987 11 E CA 1.207 57.573 56.400 -0.056 0.000 0.799 11 E CB -0.171 29.485 29.700 -0.073 0.000 0.752 11 E HN 0.361 nan 8.360 nan 0.000 0.449 12 R N 0.196 120.584 120.500 -0.187 0.000 2.091 12 R HA -0.100 4.240 4.340 -0.001 0.000 0.238 12 R C 2.504 178.758 176.300 -0.076 0.000 1.136 12 R CA 1.186 57.195 56.100 -0.153 0.000 0.959 12 R CB -1.007 29.212 30.300 -0.135 0.000 0.856 12 R HN 0.348 nan 8.270 nan 0.000 0.437 13 L N -0.012 121.176 121.223 -0.057 0.000 2.056 13 L HA -0.127 4.213 4.340 -0.001 0.000 0.207 13 L C 2.463 179.336 176.870 0.006 0.000 1.078 13 L CA 0.859 55.683 54.840 -0.027 0.000 0.749 13 L CB -0.511 41.520 42.059 -0.046 0.000 0.901 13 L HN -0.063 nan 8.230 nan 0.000 0.433 14 V N -0.334 119.578 119.914 -0.004 0.000 2.343 14 V HA -0.309 3.811 4.120 -0.001 0.000 0.247 14 V C 2.432 178.545 176.094 0.031 0.000 1.051 14 V CA 1.681 63.989 62.300 0.013 0.000 1.036 14 V CB -0.523 31.300 31.823 0.001 0.000 0.654 14 V HN 0.507 nan 8.190 nan 0.000 0.451 15 Q N -0.262 119.549 119.800 0.018 0.000 2.234 15 Q HA -0.138 4.202 4.340 -0.001 0.000 0.206 15 Q C 2.028 178.126 176.000 0.164 0.000 0.980 15 Q CA 1.826 57.664 55.803 0.058 0.000 0.869 15 Q CB -0.219 28.529 28.738 0.016 0.000 0.912 15 Q HN 0.876 nan 8.270 nan 0.000 0.436 16 I N -4.808 115.843 120.570 0.134 0.000 3.793 16 I HA 0.343 4.513 4.170 -0.001 0.000 0.315 16 I C 0.925 177.193 176.117 0.252 0.000 1.275 16 I CA 0.699 62.147 61.300 0.246 0.000 1.214 16 I CB 0.320 38.325 38.000 0.007 0.000 1.018 16 I HN 0.161 nan 8.210 nan 0.000 0.439 17 G N 1.450 110.343 108.800 0.156 0.000 2.184 17 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.206 17 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.206 17 G C -0.226 174.752 174.900 0.129 0.000 0.995 17 G CA -0.401 44.769 45.100 0.117 0.000 0.651 17 G HN 0.212 nan 8.290 nan 0.000 0.511 18 L N 0.914 122.225 121.223 0.146 0.000 2.455 18 L HA 0.433 4.773 4.340 -0.001 0.000 0.272 18 L C 1.445 178.395 176.870 0.134 0.000 1.174 18 L CA 0.459 55.423 54.840 0.206 0.000 0.869 18 L CB 0.951 43.098 42.059 0.148 0.000 1.130 18 L HN 0.017 nan 8.230 nan 0.000 0.474 19 K N 2.060 122.584 120.400 0.207 0.000 2.355 19 K HA 0.246 4.566 4.320 -0.001 0.000 0.198 19 K C -0.303 176.037 176.600 -0.433 0.000 1.039 19 K CA 0.100 56.351 56.287 -0.059 0.000 1.075 19 K CB 0.363 32.840 32.500 -0.037 0.000 0.870 19 K HN 0.608 nan 8.250 nan 0.000 0.540 20 H N -0.520 118.467 119.070 -0.139 0.000 2.980 20 H HA 0.374 4.929 4.556 -0.001 0.000 0.367 20 H C -0.364 174.628 175.328 -0.560 0.000 1.206 20 H CA -0.951 54.806 56.048 -0.485 0.000 1.126 20 H CB 1.349 30.664 29.762 -0.744 0.000 1.838 20 H HN 0.047 nan 8.280 nan 0.000 0.552 21 H N -0.051 118.708 119.070 -0.518 0.000 2.895 21 H HA 0.471 5.027 4.556 -0.001 0.000 0.373 21 H C -1.605 173.363 175.328 -0.600 0.000 1.174 21 H CA -0.907 54.878 56.048 -0.440 0.000 1.144 21 H CB 1.219 30.870 29.762 -0.185 0.000 1.793 21 H HN 0.357 nan 8.280 nan 0.000 0.551 22 F N 0.671 120.573 119.950 -0.081 0.000 2.458 22 F HA 0.714 5.241 4.527 -0.001 0.000 0.330 22 F C 0.302 176.122 175.800 0.034 0.000 1.082 22 F CA -0.345 57.610 58.000 -0.074 0.000 0.995 22 F CB 2.130 41.112 39.000 -0.030 0.000 1.170 22 F HN 0.876 nan 8.300 nan 0.000 0.478 23 A N 1.302 124.244 122.820 0.203 0.000 2.594 23 A HA 0.825 5.145 4.320 -0.001 0.000 0.295 23 A C -1.976 175.772 177.584 0.274 0.000 1.071 23 A CA -0.730 51.445 52.037 0.230 0.000 0.685 23 A CB 1.557 20.705 19.000 0.247 0.000 1.285 23 A HN 0.497 nan 8.150 nan 0.000 0.405 24 V N 1.327 121.365 119.914 0.206 0.000 2.483 24 V HA 0.660 4.780 4.120 -0.001 0.000 0.297 24 V C 0.667 176.838 176.094 0.129 0.000 1.027 24 V CA -0.325 62.071 62.300 0.160 0.000 0.855 24 V CB 1.236 33.119 31.823 0.099 0.000 0.995 24 V HN 1.539 nan 8.190 nan 0.000 0.424 25 A N 3.429 126.307 122.820 0.096 0.000 2.445 25 A HA 0.775 5.095 4.320 -0.001 0.000 0.242 25 A C 0.618 178.248 177.584 0.077 0.000 1.075 25 A CA 0.641 52.722 52.037 0.072 0.000 0.777 25 A CB 0.388 19.389 19.000 0.000 0.000 1.013 25 A HN 1.451 nan 8.150 nan 0.000 0.493 26 G N 0.391 109.253 108.800 0.103 0.000 2.720 26 G HA2 0.458 4.417 3.960 -0.001 0.000 0.295 26 G HA3 0.458 4.417 3.960 -0.001 0.000 0.295 26 G C 0.011 174.989 174.900 0.131 0.000 1.437 26 G CA 0.225 45.410 45.100 0.142 0.000 0.886 26 G HN 0.692 nan 8.290 nan 0.000 0.509 27 D N -0.284 120.173 120.400 0.094 0.000 2.221 27 D HA -0.204 4.436 4.640 -0.001 0.000 0.204 27 D C 1.144 177.432 176.300 -0.020 0.000 0.982 27 D CA 1.339 55.329 54.000 -0.017 0.000 0.857 27 D CB -0.154 40.572 40.800 -0.123 0.000 0.934 27 D HN 0.400 nan 8.370 nan 0.000 0.475 28 Y N 0.780 121.174 120.300 0.157 0.000 2.561 28 Y HA 0.026 4.576 4.550 -0.001 0.000 0.291 28 Y C 1.461 177.406 175.900 0.075 0.000 1.141 28 Y CA 1.073 59.235 58.100 0.104 0.000 1.303 28 Y CB -0.258 38.272 38.460 0.117 0.000 1.015 28 Y HN 0.212 nan 8.280 nan 0.000 0.547 29 N N -1.451 117.373 118.700 0.206 0.000 2.143 29 N HA 0.037 4.777 4.740 -0.001 0.000 0.222 29 N C 0.828 176.399 175.510 0.101 0.000 1.264 29 N CA 0.158 53.293 53.050 0.140 0.000 0.897 29 N CB -0.867 37.701 38.487 0.135 0.000 1.092 29 N HN 0.246 nan 8.380 nan 0.000 0.516 30 L N -0.099 121.174 121.223 0.082 0.000 2.017 30 L HA -0.059 4.281 4.340 -0.001 0.000 0.208 30 L C 1.894 178.796 176.870 0.053 0.000 1.073 30 L CA 1.113 55.987 54.840 0.058 0.000 0.745 30 L CB -0.440 41.637 42.059 0.029 0.000 0.894 30 L HN 0.031 nan 8.230 nan 0.000 0.432 31 V N -0.147 119.795 119.914 0.048 0.000 2.427 31 V HA -0.247 3.873 4.120 -0.001 0.000 0.248 31 V C 2.372 178.493 176.094 0.045 0.000 1.051 31 V CA 1.334 63.658 62.300 0.040 0.000 1.048 31 V CB -0.323 31.520 31.823 0.034 0.000 0.666 31 V HN 0.309 nan 8.190 nan 0.000 0.456 32 L N -0.116 121.138 121.223 0.052 0.000 2.042 32 L HA -0.161 4.179 4.340 -0.001 0.000 0.210 32 L C 2.186 179.086 176.870 0.049 0.000 1.076 32 L CA 1.950 56.816 54.840 0.043 0.000 0.749 32 L CB -0.573 41.511 42.059 0.041 0.000 0.893 32 L HN 0.206 nan 8.230 nan 0.000 0.432 33 L N -0.752 120.517 121.223 0.077 0.000 2.083 33 L HA -0.211 4.129 4.340 -0.001 0.000 0.209 33 L C 2.261 179.191 176.870 0.101 0.000 1.083 33 L CA 1.235 56.143 54.840 0.114 0.000 0.752 33 L CB -0.892 41.260 42.059 0.155 0.000 0.899 33 L HN 0.299 nan 8.230 nan 0.000 0.433 34 D N 0.078 120.521 120.400 0.072 0.000 2.104 34 D HA -0.183 4.457 4.640 -0.001 0.000 0.194 34 D C 1.965 178.292 176.300 0.045 0.000 0.994 34 D CA 1.126 55.159 54.000 0.055 0.000 0.830 34 D CB -0.297 40.526 40.800 0.037 0.000 0.959 34 D HN 0.332 nan 8.370 nan 0.000 0.452 35 N N 0.250 118.973 118.700 0.038 0.000 2.188 35 N HA -0.067 4.673 4.740 -0.001 0.000 0.184 35 N C 2.065 177.591 175.510 0.026 0.000 1.018 35 N CA 0.399 53.467 53.050 0.029 0.000 0.858 35 N CB -0.004 38.501 38.487 0.031 0.000 0.989 35 N HN 0.219 nan 8.380 nan 0.000 0.426 36 L N 1.024 122.260 121.223 0.022 0.000 2.141 36 L HA -0.088 4.251 4.340 -0.001 0.000 0.209 36 L C 2.226 179.137 176.870 0.069 0.000 1.094 36 L CA 0.634 55.473 54.840 -0.002 0.000 0.763 36 L CB -0.284 41.719 42.059 -0.093 0.000 0.908 36 L HN 0.133 nan 8.230 nan 0.000 0.437 37 L N -0.555 120.719 121.223 0.086 0.000 2.362 37 L HA -0.188 4.151 4.340 -0.001 0.000 0.219 37 L C 2.336 179.228 176.870 0.036 0.000 1.134 37 L CA 0.664 55.548 54.840 0.074 0.000 0.807 37 L CB -0.219 41.885 42.059 0.076 0.000 0.927 37 L HN 0.309 nan 8.230 nan 0.000 0.447 38 L N -0.743 120.494 121.223 0.024 0.000 2.141 38 L HA -0.140 4.199 4.340 -0.001 0.000 0.209 38 L C 1.209 178.076 176.870 -0.005 0.000 1.094 38 L CA 0.489 55.330 54.840 0.002 0.000 0.763 38 L CB -0.436 41.617 42.059 -0.009 0.000 0.908 38 L HN 0.311 nan 8.230 nan 0.000 0.437 39 N N 1.024 119.727 118.700 0.006 0.000 2.406 39 N HA -0.005 4.734 4.740 -0.001 0.000 0.251 39 N C 0.535 176.042 175.510 -0.005 0.000 1.069 39 N CA 0.112 53.163 53.050 0.001 0.000 0.947 39 N CB 1.018 39.512 38.487 0.011 0.000 1.111 39 N HN 0.006 nan 8.380 nan 0.000 0.497 40 K N 2.301 122.691 120.400 -0.017 0.000 2.487 40 K HA 0.088 4.408 4.320 -0.001 0.000 0.192 40 K C 0.422 176.995 176.600 -0.044 0.000 1.027 40 K CA 0.136 56.406 56.287 -0.029 0.000 1.054 40 K CB 0.275 32.759 32.500 -0.027 0.000 0.824 40 K HN 0.514 nan 8.250 nan 0.000 0.510 41 N N 1.172 119.850 118.700 -0.037 0.000 2.461 41 N HA -0.004 4.735 4.740 -0.001 0.000 0.188 41 N C 0.736 176.200 175.510 -0.078 0.000 1.134 41 N CA 0.392 53.413 53.050 -0.048 0.000 0.878 41 N CB 0.165 38.635 38.487 -0.027 0.000 0.972 41 N HN 0.382 nan 8.380 nan 0.000 0.456 42 M N -1.593 117.957 119.600 -0.084 0.000 2.575 42 M HA 0.496 4.975 4.480 -0.001 0.000 0.284 42 M C -1.347 174.839 176.300 -0.190 0.000 1.253 42 M CA -0.829 54.378 55.300 -0.154 0.000 0.861 42 M CB 2.558 35.119 32.600 -0.065 0.000 1.733 42 M HN -0.295 nan 8.290 nan 0.000 0.462 43 E N 1.032 121.019 120.200 -0.355 0.000 2.222 43 E HA 0.340 4.690 4.350 -0.001 0.000 0.272 43 E C -1.386 174.883 176.600 -0.552 0.000 0.982 43 E CA -0.802 55.390 56.400 -0.346 0.000 0.842 43 E CB 2.131 31.648 29.700 -0.305 0.000 1.144 43 E HN 0.616 nan 8.360 nan 0.000 0.397 44 Q N 1.858 121.311 119.800 -0.577 0.000 2.340 44 Q HA 0.314 4.654 4.340 -0.001 0.000 0.259 44 Q C -1.476 173.958 176.000 -0.944 0.000 0.964 44 Q CA -0.518 54.729 55.803 -0.926 0.000 0.900 44 Q CB 1.110 29.516 28.738 -0.552 0.000 1.228 44 Q HN 0.258 nan 8.270 nan 0.000 0.449 45 V N 5.318 124.668 119.914 -0.939 0.000 2.398 45 V HA 0.325 4.445 4.120 -0.001 0.000 0.286 45 V C -0.914 174.878 176.094 -0.504 0.000 1.026 45 V CA -0.696 61.198 62.300 -0.677 0.000 0.868 45 V CB 0.629 32.100 31.823 -0.586 0.000 0.982 45 V HN 0.655 nan 8.190 nan 0.000 0.443 46 Y N 2.541 122.875 120.300 0.057 0.000 2.320 46 Y HA 0.615 5.165 4.550 -0.001 0.000 0.324 46 Y C 0.548 176.518 175.900 0.117 0.000 1.190 46 Y CA -0.684 57.463 58.100 0.079 0.000 1.215 46 Y CB 1.170 39.648 38.460 0.030 0.000 1.221 46 Y HN 0.559 nan 8.280 nan 0.000 0.486 47 C N 0.278 119.731 119.300 0.254 0.000 2.719 47 C HA 0.348 4.808 4.460 -0.001 0.000 0.327 47 C C 1.501 176.525 174.990 0.058 0.000 1.238 47 C CA -0.734 58.362 59.018 0.130 0.000 1.727 47 C CB 1.491 29.328 27.740 0.161 0.000 2.256 47 C HN 1.115 nan 8.230 nan 0.000 0.489 48 C N 1.531 120.820 119.300 -0.019 0.000 2.462 48 C HA -0.008 4.452 4.460 -0.001 0.000 0.278 48 C C 0.998 175.992 174.990 0.006 0.000 1.253 48 C CA 1.099 60.100 59.018 -0.028 0.000 1.713 48 C CB -1.447 26.247 27.740 -0.075 0.000 2.049 48 C HN 1.004 nan 8.230 nan 0.000 0.477 49 N N -0.653 118.055 118.700 0.014 0.000 2.697 49 N HA 0.302 5.042 4.740 -0.001 0.000 0.272 49 N C -0.383 175.141 175.510 0.023 0.000 1.381 49 N CA -0.589 52.475 53.050 0.022 0.000 0.797 49 N CB 0.443 38.946 38.487 0.026 0.000 1.523 49 N HN -0.081 nan 8.380 nan 0.000 0.518 50 E N -0.517 119.687 120.200 0.007 0.000 2.216 50 E HA 0.062 4.412 4.350 -0.001 0.000 0.192 50 E C 1.343 177.917 176.600 -0.043 0.000 0.988 50 E CA 0.326 56.719 56.400 -0.011 0.000 0.834 50 E CB -0.143 29.533 29.700 -0.039 0.000 0.772 50 E HN 0.532 nan 8.360 nan 0.000 0.479 51 L N 1.026 122.227 121.223 -0.037 0.000 2.027 51 L HA -0.138 4.202 4.340 -0.001 0.000 0.206 51 L C 1.334 178.165 176.870 -0.064 0.000 1.074 51 L CA 1.733 56.521 54.840 -0.087 0.000 0.745 51 L CB -0.444 41.623 42.059 0.013 0.000 0.898 51 L HN 0.022 nan 8.230 nan 0.000 0.433 52 N N -0.986 117.742 118.700 0.046 0.000 2.223 52 N HA -0.215 4.524 4.740 -0.001 0.000 0.185 52 N C 2.029 177.571 175.510 0.054 0.000 1.016 52 N CA 1.450 54.557 53.050 0.094 0.000 0.863 52 N CB -1.121 37.396 38.487 0.051 0.000 0.983 52 N HN 0.547 nan 8.380 nan 0.000 0.429 53 C N 0.459 119.774 119.300 0.026 0.000 2.432 53 C HA 0.014 4.473 4.460 -0.001 0.000 0.277 53 C C 2.756 177.721 174.990 -0.042 0.000 1.249 53 C CA 1.294 60.333 59.018 0.035 0.000 1.725 53 C CB -1.286 26.501 27.740 0.078 0.000 2.028 53 C HN 0.516 nan 8.230 nan 0.000 0.477 54 G N -0.787 107.962 108.800 -0.085 0.000 2.440 54 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.218 54 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.218 54 G C 1.328 176.166 174.900 -0.104 0.000 1.154 54 G CA 0.857 45.872 45.100 -0.142 0.000 0.767 54 G HN 0.486 nan 8.290 nan 0.000 0.552 55 F N 1.685 121.627 119.950 -0.015 0.000 2.325 55 F HA 0.076 4.603 4.527 -0.001 0.000 0.299 55 F C 2.970 178.714 175.800 -0.094 0.000 1.090 55 F CA 0.746 58.755 58.000 0.015 0.000 1.392 55 F CB -0.382 38.640 39.000 0.038 0.000 1.053 55 F HN 0.081 nan 8.300 nan 0.000 0.521 56 S N 0.104 115.782 115.700 -0.036 0.000 2.356 56 S HA -0.168 4.302 4.470 -0.001 0.000 0.223 56 S C 2.436 176.633 174.600 -0.673 0.000 1.032 56 S CA 1.087 59.070 58.200 -0.361 0.000 1.005 56 S CB -0.703 62.208 63.200 -0.481 0.000 0.867 56 S HN 0.346 nan 8.310 nan 0.000 0.449 57 A N 1.669 124.125 122.820 -0.607 0.000 1.902 57 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 57 A C 2.095 179.694 177.584 0.026 0.000 1.181 57 A CA 1.527 53.397 52.037 -0.277 0.000 0.623 57 A CB -0.618 18.356 19.000 -0.043 0.000 0.818 57 A HN 0.449 nan 8.150 nan 0.000 0.443 58 E N -0.237 120.017 120.200 0.090 0.000 2.097 58 E HA -0.193 4.157 4.350 -0.001 0.000 0.196 58 E C 2.124 178.878 176.600 0.257 0.000 1.000 58 E CA 1.522 58.057 56.400 0.224 0.000 0.804 58 E CB -0.473 29.466 29.700 0.398 0.000 0.740 58 E HN 0.524 nan 8.360 nan 0.000 0.454 59 G N -0.557 108.365 108.800 0.203 0.000 2.403 59 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.216 59 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.216 59 G C 1.501 176.537 174.900 0.227 0.000 1.154 59 G CA 0.684 45.913 45.100 0.215 0.000 0.784 59 G HN 0.347 nan 8.290 nan 0.000 0.538 60 Y N 1.924 122.228 120.300 0.006 0.000 2.181 60 Y HA -0.034 4.516 4.550 -0.001 0.000 0.288 60 Y C 2.930 178.858 175.900 0.047 0.000 1.146 60 Y CA 1.440 59.551 58.100 0.018 0.000 1.164 60 Y CB -0.184 38.356 38.460 0.133 0.000 0.982 60 Y HN 0.244 nan 8.280 nan 0.000 0.515 61 A N 0.296 123.256 122.820 0.233 0.000 1.972 61 A HA -0.197 4.122 4.320 -0.001 0.000 0.219 61 A C 2.229 179.863 177.584 0.083 0.000 1.169 61 A CA 1.694 53.820 52.037 0.148 0.000 0.635 61 A CB -0.562 18.530 19.000 0.154 0.000 0.810 61 A HN 0.538 nan 8.150 nan 0.000 0.446 62 R N -0.698 119.892 120.500 0.150 0.000 2.115 62 R HA -0.017 4.323 4.340 -0.001 0.000 0.230 62 R C 2.307 178.681 176.300 0.124 0.000 1.111 62 R CA 1.101 57.321 56.100 0.201 0.000 0.976 62 R CB -0.295 30.220 30.300 0.359 0.000 0.870 62 R HN 0.522 nan 8.270 nan 0.000 0.445 63 A N 0.661 123.415 122.820 -0.110 0.000 1.943 63 A HA -0.005 4.314 4.320 -0.001 0.000 0.213 63 A C 1.588 178.968 177.584 -0.339 0.000 1.181 63 A CA 0.883 52.649 52.037 -0.451 0.000 0.653 63 A CB 0.282 18.716 19.000 -0.943 0.000 0.833 63 A HN 0.010 nan 8.150 nan 0.000 0.451 64 K N -2.145 118.060 120.400 -0.325 0.000 2.402 64 K HA 0.275 4.595 4.320 -0.001 0.000 0.203 64 K C 1.078 177.632 176.600 -0.077 0.000 1.077 64 K CA 0.790 56.927 56.287 -0.249 0.000 1.051 64 K CB 1.126 33.384 32.500 -0.403 0.000 0.907 64 K HN 0.659 nan 8.250 nan 0.000 0.554 65 G N 1.290 110.070 108.800 -0.033 0.000 2.279 65 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.223 65 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.223 65 G C 0.230 175.165 174.900 0.058 0.000 1.015 65 G CA 0.105 45.216 45.100 0.018 0.000 0.621 65 G HN 0.628 nan 8.290 nan 0.000 0.506 66 A N -1.061 121.820 122.820 0.102 0.000 2.588 66 A HA 1.160 5.480 4.320 -0.001 0.000 0.290 66 A C -0.284 177.451 177.584 0.252 0.000 1.136 66 A CA 0.686 52.802 52.037 0.131 0.000 0.681 66 A CB 0.872 19.927 19.000 0.092 0.000 1.282 66 A HN 2.300 nan 8.150 nan 0.000 0.421 67 A N -1.236 121.713 122.820 0.215 0.000 2.566 67 A HA 0.991 5.310 4.320 -0.001 0.000 0.290 67 A C -0.796 176.882 177.584 0.157 0.000 1.071 67 A CA 0.068 52.266 52.037 0.267 0.000 0.658 67 A CB 0.505 19.717 19.000 0.352 0.000 1.285 67 A HN 2.658 nan 8.150 nan 0.000 0.427 68 A N -0.498 122.419 122.820 0.162 0.000 2.486 68 A HA 0.968 5.288 4.320 -0.001 0.000 0.300 68 A C -0.443 177.260 177.584 0.198 0.000 1.048 68 A CA 0.101 52.215 52.037 0.128 0.000 0.696 68 A CB 1.371 20.411 19.000 0.068 0.000 1.278 68 A HN 2.561 nan 8.150 nan 0.000 0.405 69 A N 1.200 124.107 122.820 0.145 0.000 2.356 69 A HA 0.721 5.041 4.320 -0.001 0.000 0.310 69 A C -1.059 176.593 177.584 0.114 0.000 1.075 69 A CA -0.481 51.655 52.037 0.166 0.000 0.746 69 A CB 1.393 20.462 19.000 0.115 0.000 1.221 69 A HN 1.377 nan 8.150 nan 0.000 0.443 70 V N 3.115 123.111 119.914 0.137 0.000 2.409 70 V HA 0.664 4.783 4.120 -0.001 0.000 0.291 70 V C 0.140 176.295 176.094 0.102 0.000 1.020 70 V CA -0.371 61.989 62.300 0.100 0.000 0.848 70 V CB 0.983 32.874 31.823 0.115 0.000 0.990 70 V HN 1.186 nan 8.190 nan 0.000 0.430 71 V N 1.474 121.429 119.914 0.069 0.000 3.158 71 V HA 0.789 4.909 4.120 -0.001 0.000 0.311 71 V C -0.253 175.884 176.094 0.072 0.000 1.181 71 V CA -0.600 61.736 62.300 0.059 0.000 1.054 71 V CB 1.995 33.824 31.823 0.011 0.000 1.085 71 V HN 0.700 nan 8.190 nan 0.000 0.446 72 T N -0.185 114.412 114.554 0.073 0.000 2.927 72 T HA 0.498 4.847 4.350 -0.001 0.000 0.281 72 T C -0.866 173.897 174.700 0.105 0.000 0.998 72 T CA -0.203 61.987 62.100 0.150 0.000 1.019 72 T CB 0.744 69.731 68.868 0.199 0.000 1.061 72 T HN 0.796 nan 8.240 nan 0.000 0.518 73 Y N 2.727 123.042 120.300 0.025 0.000 2.620 73 Y HA 0.246 4.796 4.550 -0.001 0.000 0.330 73 Y C 1.587 177.427 175.900 -0.100 0.000 1.186 73 Y CA 1.571 59.587 58.100 -0.141 0.000 1.467 73 Y CB -0.150 38.005 38.460 -0.508 0.000 1.262 73 Y HN 0.980 nan 8.280 nan 0.000 0.550 74 S N 1.400 116.676 115.700 -0.708 0.000 3.686 74 S HA -0.334 4.136 4.470 -0.001 0.000 0.247 74 S C 1.416 175.852 174.600 -0.274 0.000 1.674 74 S CA 2.460 60.357 58.200 -0.506 0.000 3.746 74 S CB -1.848 61.176 63.200 -0.293 0.000 0.692 74 S HN 1.260 nan 8.310 nan 0.000 0.466 75 V N 0.664 120.445 119.914 -0.222 0.000 2.594 75 V HA 0.195 4.315 4.120 -0.001 0.000 0.253 75 V C 2.179 178.163 176.094 -0.183 0.000 1.069 75 V CA 2.566 64.746 62.300 -0.200 0.000 1.082 75 V CB -1.396 30.255 31.823 -0.287 0.000 0.680 75 V HN 0.749 nan 8.190 nan 0.000 0.469 76 G N -0.313 108.375 108.800 -0.187 0.000 2.447 76 G HA2 0.116 4.075 3.960 -0.001 0.000 0.211 76 G HA3 0.116 4.075 3.960 -0.001 0.000 0.211 76 G C 1.705 176.478 174.900 -0.211 0.000 1.184 76 G CA 0.827 45.843 45.100 -0.139 0.000 0.813 76 G HN 0.766 nan 8.290 nan 0.000 0.540 77 A N 0.608 123.242 122.820 -0.310 0.000 1.877 77 A HA 0.055 4.375 4.320 -0.001 0.000 0.216 77 A C 2.375 179.408 177.584 -0.919 0.000 1.186 77 A CA 1.474 53.189 52.037 -0.537 0.000 0.620 77 A CB -0.541 18.135 19.000 -0.541 0.000 0.822 77 A HN 0.273 nan 8.150 nan 0.000 0.443 78 L N 0.842 121.625 121.223 -0.733 0.000 1.990 78 L HA -0.217 4.123 4.340 -0.001 0.000 0.213 78 L C 3.073 179.793 176.870 -0.250 0.000 1.072 78 L CA 2.582 57.089 54.840 -0.554 0.000 0.755 78 L CB -0.811 41.123 42.059 -0.208 0.000 0.889 78 L HN 0.596 nan 8.230 nan 0.000 0.432 79 S N -1.066 114.537 115.700 -0.162 0.000 2.383 79 S HA -0.136 4.334 4.470 -0.001 0.000 0.227 79 S C 2.126 176.686 174.600 -0.066 0.000 1.026 79 S CA 0.762 58.931 58.200 -0.052 0.000 0.981 79 S CB -0.822 62.360 63.200 -0.030 0.000 0.818 79 S HN 0.342 nan 8.310 nan 0.000 0.472 80 A N 1.286 124.022 122.820 -0.139 0.000 1.972 80 A HA 0.087 4.407 4.320 -0.001 0.000 0.219 80 A C 1.828 179.423 177.584 0.018 0.000 1.169 80 A CA 1.166 53.138 52.037 -0.107 0.000 0.635 80 A CB -1.031 17.912 19.000 -0.096 0.000 0.810 80 A HN 0.474 nan 8.150 nan 0.000 0.446 81 F N 0.644 120.564 119.950 -0.050 0.000 2.192 81 F HA -0.186 4.340 4.527 -0.001 0.000 0.301 81 F C 2.157 177.940 175.800 -0.027 0.000 1.079 81 F CA 1.185 59.160 58.000 -0.043 0.000 1.303 81 F CB -0.870 38.115 39.000 -0.025 0.000 1.024 81 F HN 0.334 nan 8.300 nan 0.000 0.494 82 D N -0.025 120.496 120.400 0.201 0.000 2.117 82 D HA -0.121 4.518 4.640 -0.001 0.000 0.197 82 D C 2.256 178.585 176.300 0.049 0.000 0.987 82 D CA 1.314 55.478 54.000 0.274 0.000 0.829 82 D CB -0.125 40.852 40.800 0.296 0.000 0.961 82 D HN 0.190 nan 8.370 nan 0.000 0.460 83 A N 0.643 123.244 122.820 -0.365 0.000 1.930 83 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 83 A C 2.247 179.625 177.584 -0.343 0.000 1.175 83 A CA 0.742 52.303 52.037 -0.793 0.000 0.627 83 A CB -0.421 17.963 19.000 -1.027 0.000 0.815 83 A HN 0.240 nan 8.150 nan 0.000 0.443 84 I N 0.222 120.687 120.570 -0.174 0.000 2.226 84 I HA -0.169 4.000 4.170 -0.001 0.000 0.245 84 I C 2.708 178.685 176.117 -0.232 0.000 1.100 84 I CA 1.410 62.647 61.300 -0.105 0.000 1.374 84 I CB -2.012 36.010 38.000 0.036 0.000 1.057 84 I HN 0.336 nan 8.210 nan 0.000 0.413 85 G N 0.795 109.393 108.800 -0.337 0.000 2.469 85 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.219 85 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.219 85 G C 1.760 175.828 174.900 -1.386 0.000 1.150 85 G CA 1.011 45.695 45.100 -0.694 0.000 0.763 85 G HN 0.487 nan 8.290 nan 0.000 0.561 86 G N 0.978 108.815 108.800 -1.604 0.000 2.418 86 G HA2 0.050 4.010 3.960 -0.001 0.000 0.217 86 G HA3 0.050 4.010 3.960 -0.001 0.000 0.217 86 G C 2.041 176.652 174.900 -0.481 0.000 1.158 86 G CA 1.492 45.700 45.100 -1.486 0.000 0.771 86 G HN 0.674 nan 8.290 nan 0.000 0.545 87 A N -0.252 122.415 122.820 -0.256 0.000 1.930 87 A HA 0.001 4.321 4.320 -0.001 0.000 0.217 87 A C 2.183 179.705 177.584 -0.105 0.000 1.175 87 A CA 1.587 53.571 52.037 -0.088 0.000 0.627 87 A CB -0.605 18.378 19.000 -0.028 0.000 0.815 87 A HN 0.436 nan 8.150 nan 0.000 0.443 88 Y N 0.560 120.709 120.300 -0.252 0.000 2.145 88 Y HA -0.113 4.437 4.550 -0.000 0.000 0.286 88 Y C 2.669 178.478 175.900 -0.152 0.000 1.145 88 Y CA 1.340 59.326 58.100 -0.189 0.000 1.148 88 Y CB -0.439 37.895 38.460 -0.210 0.000 0.981 88 Y HN 0.305 nan 8.280 nan 0.000 0.507 89 A N -0.292 122.536 122.820 0.015 0.000 2.019 89 A HA -0.117 4.203 4.320 -0.001 0.000 0.219 89 A C 1.693 179.285 177.584 0.013 0.000 1.164 89 A CA 1.754 53.846 52.037 0.091 0.000 0.644 89 A CB -0.339 18.787 19.000 0.209 0.000 0.805 89 A HN 0.506 nan 8.150 nan 0.000 0.449 90 E N 0.290 120.461 120.200 -0.048 0.000 2.501 90 E HA 0.053 4.403 4.350 -0.001 0.000 0.200 90 E C -0.616 175.954 176.600 -0.050 0.000 1.016 90 E CA -0.295 56.083 56.400 -0.038 0.000 0.921 90 E CB -0.212 29.468 29.700 -0.033 0.000 1.034 90 E HN 0.592 nan 8.360 nan 0.000 0.468 91 N N 0.896 119.526 118.700 -0.116 0.000 2.714 91 N HA -0.208 4.531 4.740 -0.001 0.000 0.253 91 N C -0.704 174.748 175.510 -0.096 0.000 1.024 91 N CA 0.661 53.621 53.050 -0.149 0.000 0.726 91 N CB -1.499 36.915 38.487 -0.122 0.000 0.908 91 N HN 0.231 nan 8.380 nan 0.000 0.542 92 L N 0.296 121.473 121.223 -0.077 0.000 2.356 92 L HA 0.423 4.762 4.340 -0.001 0.000 0.277 92 L C -2.114 174.739 176.870 -0.029 0.000 0.996 92 L CA -1.804 53.023 54.840 -0.022 0.000 0.822 92 L CB 2.174 44.256 42.059 0.040 0.000 1.256 92 L HN -0.221 nan 8.230 nan 0.000 0.413 93 P HA 0.089 nan 4.420 nan 0.000 0.244 93 P C -0.573 176.740 177.300 0.021 0.000 1.769 93 P CA -0.065 63.023 63.100 -0.020 0.000 1.102 93 P CB 0.148 31.831 31.700 -0.028 0.000 1.937 94 V N 4.713 124.644 119.914 0.028 0.000 2.432 94 V HA 0.248 4.368 4.120 -0.001 0.000 0.275 94 V C 0.735 176.855 176.094 0.043 0.000 1.043 94 V CA -0.438 61.894 62.300 0.054 0.000 0.925 94 V CB 1.113 32.971 31.823 0.058 0.000 0.985 94 V HN 0.294 nan 8.190 nan 0.000 0.466 95 I N 5.925 126.523 120.570 0.046 0.000 2.304 95 I HA 0.312 4.481 4.170 -0.001 0.000 0.291 95 I C -0.377 175.764 176.117 0.040 0.000 1.018 95 I CA -0.381 60.936 61.300 0.028 0.000 1.260 95 I CB 1.341 39.342 38.000 0.003 0.000 1.390 95 I HN 0.428 nan 8.210 nan 0.000 0.475 96 L N 8.917 130.173 121.223 0.055 0.000 2.264 96 L HA 0.563 4.902 4.340 -0.001 0.000 0.289 96 L C -0.754 176.097 176.870 -0.033 0.000 1.044 96 L CA 0.050 54.929 54.840 0.067 0.000 0.807 96 L CB 0.831 42.998 42.059 0.180 0.000 1.192 96 L HN 0.391 nan 8.230 nan 0.000 0.425 97 I N 4.252 124.794 120.570 -0.048 0.000 2.389 97 I HA 0.432 4.602 4.170 -0.001 0.000 0.288 97 I C -0.035 176.033 176.117 -0.081 0.000 0.999 97 I CA -0.047 61.178 61.300 -0.125 0.000 1.129 97 I CB 1.853 39.799 38.000 -0.090 0.000 1.288 97 I HN 0.600 nan 8.210 nan 0.000 0.444 98 S N 3.970 119.586 115.700 -0.140 0.000 2.501 98 S HA 0.773 5.242 4.470 -0.001 0.000 0.301 98 S C 0.225 174.832 174.600 0.012 0.000 1.096 98 S CA -0.604 57.584 58.200 -0.020 0.000 1.063 98 S CB 1.140 64.370 63.200 0.050 0.000 1.042 98 S HN 0.797 nan 8.310 nan 0.000 0.494 99 G N 1.946 110.797 108.800 0.085 0.000 2.664 99 G HA2 0.563 4.523 3.960 -0.001 0.000 0.242 99 G HA3 0.563 4.523 3.960 -0.001 0.000 0.242 99 G C -0.136 174.808 174.900 0.074 0.000 1.225 99 G CA 0.135 45.305 45.100 0.117 0.000 0.849 99 G HN 1.176 nan 8.290 nan 0.000 0.581 100 A N 1.513 124.303 122.820 -0.050 0.000 2.583 100 A HA 0.890 5.210 4.320 -0.001 0.000 0.289 100 A C -2.919 174.390 177.584 -0.457 0.000 1.151 100 A CA -1.338 50.462 52.037 -0.395 0.000 0.695 100 A CB 1.222 20.113 19.000 -0.181 0.000 1.290 100 A HN 0.512 nan 8.150 nan 0.000 0.419 101 P HA 0.030 nan 4.420 nan 0.000 0.268 101 P C -0.343 176.909 177.300 -0.079 0.000 1.208 101 P CA -0.324 62.505 63.100 -0.452 0.000 0.777 101 P CB 0.336 31.515 31.700 -0.867 0.000 0.875 102 N N 2.847 121.567 118.700 0.034 0.000 2.293 102 N HA -0.117 4.623 4.740 -0.001 0.000 0.253 102 N C 0.976 176.538 175.510 0.087 0.000 1.248 102 N CA 0.238 53.329 53.050 0.068 0.000 0.845 102 N CB 0.252 38.778 38.487 0.065 0.000 1.073 102 N HN 0.363 nan 8.380 nan 0.000 0.464 103 N N 3.507 122.294 118.700 0.146 0.000 2.550 103 N HA -0.111 4.628 4.740 -0.001 0.000 0.186 103 N C 0.334 175.955 175.510 0.185 0.000 1.110 103 N CA 0.748 53.938 53.050 0.234 0.000 0.912 103 N CB -0.255 38.330 38.487 0.164 0.000 0.968 103 N HN 0.466 nan 8.380 nan 0.000 0.448 104 N N 0.600 119.370 118.700 0.116 0.000 2.457 104 N HA -0.056 4.683 4.740 -0.001 0.000 0.180 104 N C 0.087 175.647 175.510 0.083 0.000 1.050 104 N CA 0.600 53.706 53.050 0.094 0.000 0.906 104 N CB 0.061 38.604 38.487 0.092 0.000 0.968 104 N HN 0.347 nan 8.380 nan 0.000 0.445 105 D N -0.123 120.314 120.400 0.061 0.000 2.348 105 D HA -0.008 4.631 4.640 -0.001 0.000 0.211 105 D C 0.387 176.631 176.300 -0.094 0.000 0.998 105 D CA 0.379 54.393 54.000 0.023 0.000 0.873 105 D CB 0.129 40.924 40.800 -0.008 0.000 0.925 105 D HN 0.325 nan 8.370 nan 0.000 0.524 106 H N 0.543 119.597 119.070 -0.025 0.000 2.652 106 H HA 0.265 4.820 4.556 -0.001 0.000 0.349 106 H C 1.032 176.315 175.328 -0.075 0.000 1.099 106 H CA 0.207 56.239 56.048 -0.027 0.000 1.417 106 H CB 1.046 30.717 29.762 -0.151 0.000 1.457 106 H HN -0.035 nan 8.280 nan 0.000 0.568 107 A N 1.996 124.843 122.820 0.045 0.000 2.665 107 A HA -0.213 4.107 4.320 -0.001 0.000 0.301 107 A C 1.254 178.787 177.584 -0.084 0.000 1.509 107 A CA 1.172 53.194 52.037 -0.024 0.000 0.789 107 A CB -1.775 17.213 19.000 -0.020 0.000 1.024 107 A HN 0.869 nan 8.150 nan 0.000 0.460 108 A N -1.113 121.604 122.820 -0.171 0.000 2.498 108 A HA 0.586 4.905 4.320 -0.001 0.000 0.238 108 A C 2.065 179.446 177.584 -0.337 0.000 1.225 108 A CA 1.215 53.043 52.037 -0.350 0.000 0.978 108 A CB -0.262 18.313 19.000 -0.709 0.000 1.142 108 A HN 2.613 nan 8.150 nan 0.000 0.552 109 G N 0.342 109.045 108.800 -0.163 0.000 2.246 109 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.273 109 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.273 109 G C -0.233 174.735 174.900 0.113 0.000 1.055 109 G CA 0.532 45.616 45.100 -0.028 0.000 0.851 109 G HN 0.833 nan 8.290 nan 0.000 0.500 110 H N -1.283 117.842 119.070 0.092 0.000 2.467 110 H HA 0.486 5.042 4.556 -0.001 0.000 0.326 110 H C 0.137 175.577 175.328 0.187 0.000 1.094 110 H CA -1.226 54.893 56.048 0.118 0.000 1.253 110 H CB 1.978 31.805 29.762 0.108 0.000 1.439 110 H HN 0.119 nan 8.280 nan 0.000 0.479 111 V N 5.606 125.685 119.914 0.275 0.000 2.498 111 V HA 0.170 4.289 4.120 -0.001 0.000 0.279 111 V C 0.097 176.345 176.094 0.257 0.000 1.048 111 V CA -0.342 62.108 62.300 0.249 0.000 0.967 111 V CB 0.882 32.796 31.823 0.153 0.000 0.988 111 V HN 0.518 nan 8.190 nan 0.000 0.473 112 L N 4.610 126.025 121.223 0.320 0.000 2.362 112 L HA 0.555 4.895 4.340 -0.001 0.000 0.271 112 L C 0.200 177.204 176.870 0.223 0.000 1.002 112 L CA -1.003 53.974 54.840 0.228 0.000 0.818 112 L CB 1.882 43.979 42.059 0.064 0.000 1.298 112 L HN 0.792 nan 8.230 nan 0.000 0.420 113 H N 1.605 120.743 119.070 0.113 0.000 2.929 113 H HA -0.037 4.519 4.556 -0.001 0.000 0.358 113 H C -0.011 175.442 175.328 0.208 0.000 1.111 113 H CA 0.427 56.501 56.048 0.044 0.000 1.409 113 H CB 0.362 30.011 29.762 -0.187 0.000 1.373 113 H HN 0.753 nan 8.280 nan 0.000 0.610 114 H N -1.600 117.591 119.070 0.202 0.000 3.641 114 H HA -0.174 4.381 4.556 -0.001 0.000 0.193 114 H C 0.393 175.855 175.328 0.223 0.000 1.013 114 H CA 0.958 57.118 56.048 0.188 0.000 1.212 114 H CB -1.745 28.146 29.762 0.215 0.000 1.089 114 H HN 0.935 nan 8.280 nan 0.000 0.339 115 A N 0.052 123.101 122.820 0.381 0.000 2.373 115 A HA 0.681 5.000 4.320 -0.001 0.000 0.291 115 A C 1.520 179.258 177.584 0.257 0.000 1.171 115 A CA -0.142 52.165 52.037 0.450 0.000 0.922 115 A CB 0.515 19.924 19.000 0.682 0.000 1.400 115 A HN 0.100 nan 8.150 nan 0.000 0.474 116 L N -0.181 121.131 121.223 0.147 0.000 2.376 116 L HA 0.139 4.478 4.340 -0.001 0.000 0.219 116 L C 1.753 178.636 176.870 0.022 0.000 1.133 116 L CA 1.260 56.085 54.840 -0.024 0.000 0.816 116 L CB -0.324 41.588 42.059 -0.245 0.000 0.933 116 L HN 1.200 nan 8.230 nan 0.000 0.449 117 G N -0.319 108.529 108.800 0.079 0.000 2.179 117 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.220 117 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.220 117 G C 0.257 175.176 174.900 0.032 0.000 0.990 117 G CA -0.153 44.988 45.100 0.068 0.000 0.646 117 G HN 0.329 nan 8.290 nan 0.000 0.517 118 K N -0.075 120.318 120.400 -0.011 0.000 2.209 118 K HA 0.617 4.936 4.320 -0.001 0.000 0.238 118 K C 1.603 178.138 176.600 -0.108 0.000 1.028 118 K CA 0.039 56.294 56.287 -0.053 0.000 0.935 118 K CB 0.621 33.071 32.500 -0.083 0.000 1.162 118 K HN 0.194 nan 8.250 nan 0.000 0.485 119 T N -3.020 111.447 114.554 -0.145 0.000 3.144 119 T HA 0.046 4.395 4.350 -0.001 0.000 0.249 119 T C -0.097 174.292 174.700 -0.519 0.000 1.089 119 T CA -0.120 61.853 62.100 -0.212 0.000 0.989 119 T CB -0.158 68.680 68.868 -0.050 0.000 0.992 119 T HN 0.364 nan 8.240 nan 0.000 0.540 120 D N 0.438 120.529 120.400 -0.514 0.000 2.256 120 D HA 0.328 4.968 4.640 -0.001 0.000 0.240 120 D C -0.596 175.427 176.300 -0.462 0.000 1.062 120 D CA -0.958 52.806 54.000 -0.394 0.000 0.832 120 D CB 0.939 41.688 40.800 -0.084 0.000 1.135 120 D HN 0.234 nan 8.370 nan 0.000 0.484 121 Y N 1.238 121.670 120.300 0.221 0.000 2.555 121 Y HA 0.171 4.721 4.550 -0.001 0.000 0.259 121 Y C 1.428 177.467 175.900 0.231 0.000 1.179 121 Y CA -0.230 58.000 58.100 0.216 0.000 1.230 121 Y CB -0.127 38.303 38.460 -0.050 0.000 1.146 121 Y HN 0.592 nan 8.280 nan 0.000 0.526 122 H N -0.807 118.411 119.070 0.247 0.000 2.551 122 H HA -0.066 4.489 4.556 -0.001 0.000 0.266 122 H C 1.802 177.217 175.328 0.146 0.000 0.964 122 H CA 0.908 57.080 56.048 0.206 0.000 1.180 122 H CB 0.049 29.916 29.762 0.174 0.000 1.408 122 H HN 0.455 nan 8.280 nan 0.000 0.563 123 Y N -0.645 119.787 120.300 0.220 0.000 2.224 123 Y HA -0.190 4.360 4.550 -0.001 0.000 0.289 123 Y C 2.378 178.324 175.900 0.075 0.000 1.146 123 Y CA 1.297 59.475 58.100 0.129 0.000 1.182 123 Y CB -0.780 37.740 38.460 0.100 0.000 0.983 123 Y HN 0.248 nan 8.280 nan 0.000 0.524 124 Q N 0.540 120.016 119.800 -0.539 0.000 2.050 124 Q HA -0.198 4.142 4.340 -0.001 0.000 0.202 124 Q C 2.242 178.145 176.000 -0.162 0.000 0.980 124 Q CA 1.895 57.534 55.803 -0.274 0.000 0.840 124 Q CB -0.274 28.198 28.738 -0.444 0.000 0.898 124 Q HN 0.576 nan 8.270 nan 0.000 0.424 125 L N 1.294 122.399 121.223 -0.198 0.000 1.990 125 L HA -0.223 4.117 4.340 -0.001 0.000 0.213 125 L C 1.840 178.529 176.870 -0.302 0.000 1.072 125 L CA 2.183 56.842 54.840 -0.300 0.000 0.755 125 L CB -0.571 41.334 42.059 -0.257 0.000 0.889 125 L HN 0.280 nan 8.230 nan 0.000 0.432 126 E N -0.861 119.230 120.200 -0.181 0.000 2.097 126 E HA -0.292 4.058 4.350 -0.001 0.000 0.196 126 E C 2.146 178.668 176.600 -0.131 0.000 1.000 126 E CA 1.982 58.339 56.400 -0.073 0.000 0.804 126 E CB -0.330 29.416 29.700 0.077 0.000 0.740 126 E HN 0.576 nan 8.360 nan 0.000 0.454 127 M N 0.359 119.883 119.600 -0.127 0.000 2.132 127 M HA -0.125 4.355 4.480 -0.001 0.000 0.263 127 M C 2.524 178.491 176.300 -0.556 0.000 1.065 127 M CA 1.428 56.610 55.300 -0.197 0.000 1.122 127 M CB -0.228 32.393 32.600 0.034 0.000 1.365 127 M HN 0.132 nan 8.290 nan 0.000 0.411 128 A N 0.497 122.830 122.820 -0.811 0.000 1.972 128 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 128 A C 2.047 179.285 177.584 -0.577 0.000 1.169 128 A CA 1.581 52.977 52.037 -1.069 0.000 0.635 128 A CB -0.565 17.609 19.000 -1.376 0.000 0.810 128 A HN 0.444 nan 8.150 nan 0.000 0.446 129 K N 0.027 120.197 120.400 -0.384 0.000 2.280 129 K HA -0.079 4.241 4.320 -0.001 0.000 0.202 129 K C 1.168 177.636 176.600 -0.219 0.000 1.047 129 K CA 1.057 57.211 56.287 -0.222 0.000 0.942 129 K CB -0.153 32.269 32.500 -0.130 0.000 0.739 129 K HN 0.465 nan 8.250 nan 0.000 0.457 130 N N 1.080 119.619 118.700 -0.268 0.000 2.457 130 N HA -0.050 4.690 4.740 -0.001 0.000 0.180 130 N C 1.374 176.691 175.510 -0.321 0.000 1.050 130 N CA 0.993 53.899 53.050 -0.239 0.000 0.906 130 N CB 0.334 38.705 38.487 -0.193 0.000 0.968 130 N HN 0.391 nan 8.380 nan 0.000 0.445 131 I N -2.650 117.694 120.570 -0.377 0.000 3.994 131 I HA 0.261 4.430 4.170 -0.001 0.000 0.323 131 I C -0.313 175.614 176.117 -0.316 0.000 1.501 131 I CA -0.441 60.598 61.300 -0.435 0.000 1.112 131 I CB 0.534 38.324 38.000 -0.350 0.000 1.254 131 I HN -0.238 nan 8.210 nan 0.000 0.495 132 T N -2.789 111.646 114.554 -0.198 0.000 2.887 132 T HA 0.751 5.100 4.350 -0.001 0.000 0.292 132 T C 0.615 175.400 174.700 0.141 0.000 1.087 132 T CA -0.079 62.049 62.100 0.046 0.000 1.009 132 T CB 2.423 71.293 68.868 0.003 0.000 1.203 132 T HN 0.018 nan 8.240 nan 0.000 0.518 133 A N 0.174 123.106 122.820 0.187 0.000 2.178 133 A HA 0.760 5.079 4.320 -0.001 0.000 0.211 133 A C 1.054 178.669 177.584 0.051 0.000 1.157 133 A CA 0.526 52.640 52.037 0.128 0.000 0.780 133 A CB -0.563 18.465 19.000 0.046 0.000 0.828 133 A HN 1.649 nan 8.150 nan 0.000 0.476 134 A N -1.488 121.357 122.820 0.042 0.000 2.577 134 A HA 0.703 5.022 4.320 -0.001 0.000 0.297 134 A C -0.846 176.790 177.584 0.088 0.000 1.060 134 A CA 0.180 52.251 52.037 0.055 0.000 0.697 134 A CB 0.495 19.471 19.000 -0.040 0.000 1.281 134 A HN 1.618 nan 8.150 nan 0.000 0.402 135 A N 1.731 124.626 122.820 0.124 0.000 2.429 135 A HA 0.776 5.096 4.320 -0.001 0.000 0.289 135 A C -1.249 176.441 177.584 0.177 0.000 1.043 135 A CA -0.377 51.779 52.037 0.199 0.000 0.722 135 A CB 1.267 20.332 19.000 0.109 0.000 1.243 135 A HN 0.643 nan 8.150 nan 0.000 0.415 136 E N 0.748 121.048 120.200 0.167 0.000 2.292 136 E HA 0.649 4.998 4.350 -0.001 0.000 0.272 136 E C -0.738 175.841 176.600 -0.036 0.000 0.881 136 E CA -0.574 55.855 56.400 0.048 0.000 0.754 136 E CB 2.419 32.129 29.700 0.017 0.000 1.201 136 E HN 0.894 nan 8.360 nan 0.000 0.425 137 A N 3.376 126.114 122.820 -0.137 0.000 2.317 137 A HA 0.697 5.017 4.320 -0.001 0.000 0.327 137 A C -0.256 176.973 177.584 -0.593 0.000 1.178 137 A CA -0.614 51.209 52.037 -0.356 0.000 0.817 137 A CB 0.363 19.113 19.000 -0.417 0.000 1.189 137 A HN 0.551 nan 8.150 nan 0.000 0.489 138 I N 2.579 122.825 120.570 -0.540 0.000 2.355 138 I HA 0.270 4.439 4.170 -0.001 0.000 0.288 138 I C -0.548 175.319 176.117 -0.418 0.000 0.999 138 I CA -0.146 60.897 61.300 -0.429 0.000 1.163 138 I CB 1.062 38.925 38.000 -0.228 0.000 1.316 138 I HN 0.807 nan 8.210 nan 0.000 0.454 139 Y N 2.967 123.221 120.300 -0.076 0.000 2.462 139 Y HA 0.127 4.676 4.550 -0.001 0.000 0.253 139 Y C 1.312 177.176 175.900 -0.059 0.000 1.095 139 Y CA -0.354 57.692 58.100 -0.091 0.000 1.283 139 Y CB 0.346 38.698 38.460 -0.180 0.000 1.138 139 Y HN 0.517 nan 8.280 nan 0.000 0.522 140 T N -3.709 110.879 114.554 0.057 0.000 2.906 140 T HA 0.365 4.714 4.350 -0.001 0.000 0.295 140 T C -2.460 172.228 174.700 -0.019 0.000 1.061 140 T CA -2.416 59.700 62.100 0.026 0.000 1.000 140 T CB 2.690 71.574 68.868 0.026 0.000 1.103 140 T HN -0.354 nan 8.240 nan 0.000 0.486 141 P HA -0.017 nan 4.420 nan 0.000 0.217 141 P C 1.074 178.334 177.300 -0.068 0.000 1.150 141 P CA 1.000 64.076 63.100 -0.039 0.000 0.832 141 P CB 0.080 31.770 31.700 -0.017 0.000 0.787 142 E N -0.092 120.078 120.200 -0.050 0.000 2.204 142 E HA -0.177 4.173 4.350 -0.001 0.000 0.195 142 E C 1.759 178.307 176.600 -0.087 0.000 0.990 142 E CA 1.040 57.404 56.400 -0.060 0.000 0.821 142 E CB -0.668 29.011 29.700 -0.035 0.000 0.750 142 E HN 0.462 nan 8.360 nan 0.000 0.477 143 E N -0.164 119.985 120.200 -0.085 0.000 2.371 143 E HA 0.035 4.384 4.350 -0.001 0.000 0.194 143 E C 1.908 178.419 176.600 -0.149 0.000 1.012 143 E CA 0.451 56.791 56.400 -0.100 0.000 0.860 143 E CB 0.058 29.709 29.700 -0.082 0.000 0.811 143 E HN 0.268 nan 8.360 nan 0.000 0.502 144 A N 2.243 124.954 122.820 -0.181 0.000 1.883 144 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 144 A C -0.322 177.046 177.584 -0.360 0.000 1.186 144 A CA 1.206 53.102 52.037 -0.235 0.000 0.624 144 A CB -1.374 17.493 19.000 -0.222 0.000 0.822 144 A HN 0.123 nan 8.150 nan 0.000 0.444 145 P HA -0.125 nan 4.420 nan 0.000 0.215 145 P C 1.790 178.926 177.300 -0.273 0.000 1.157 145 P CA 2.059 64.691 63.100 -0.781 0.000 0.868 145 P CB -0.152 31.153 31.700 -0.658 0.000 0.788 146 A N -0.346 122.376 122.820 -0.164 0.000 1.902 146 A HA -0.216 4.104 4.320 -0.001 0.000 0.217 146 A C 2.103 179.672 177.584 -0.025 0.000 1.181 146 A CA 1.844 53.842 52.037 -0.065 0.000 0.623 146 A CB -1.046 17.915 19.000 -0.066 0.000 0.818 146 A HN 0.135 nan 8.150 nan 0.000 0.443 147 K N -0.564 119.799 120.400 -0.061 0.000 2.103 147 K HA 0.090 4.409 4.320 -0.001 0.000 0.204 147 K C 1.760 178.367 176.600 0.011 0.000 1.052 147 K CA 1.175 57.452 56.287 -0.017 0.000 0.945 147 K CB -0.267 32.191 32.500 -0.071 0.000 0.722 147 K HN 0.501 nan 8.250 nan 0.000 0.443 148 I N 1.543 122.095 120.570 -0.029 0.000 2.179 148 I HA -0.300 3.870 4.170 -0.001 0.000 0.242 148 I C 1.574 177.723 176.117 0.055 0.000 1.088 148 I CA 1.277 62.587 61.300 0.018 0.000 1.357 148 I CB -0.250 37.795 38.000 0.075 0.000 1.051 148 I HN 0.150 nan 8.210 nan 0.000 0.409 149 D N -0.436 120.018 120.400 0.091 0.000 2.144 149 D HA -0.243 4.397 4.640 -0.001 0.000 0.199 149 D C 1.982 178.303 176.300 0.036 0.000 0.984 149 D CA 1.487 55.529 54.000 0.069 0.000 0.834 149 D CB -0.439 40.416 40.800 0.091 0.000 0.955 149 D HN 0.458 nan 8.370 nan 0.000 0.465 150 H N 0.607 119.662 119.070 -0.024 0.000 2.357 150 H HA -0.079 4.477 4.556 -0.001 0.000 0.301 150 H C 1.948 177.257 175.328 -0.032 0.000 1.082 150 H CA 2.282 58.313 56.048 -0.029 0.000 1.342 150 H CB -0.128 29.618 29.762 -0.027 0.000 1.389 150 H HN 0.060 nan 8.280 nan 0.000 0.511 151 V N -1.147 118.672 119.914 -0.158 0.000 2.548 151 V HA -0.075 4.044 4.120 -0.001 0.000 0.249 151 V C 2.353 178.342 176.094 -0.174 0.000 1.055 151 V CA 1.655 63.833 62.300 -0.204 0.000 1.065 151 V CB -0.677 31.110 31.823 -0.060 0.000 0.681 151 V HN 0.442 nan 8.190 nan 0.000 0.462 152 I N 0.072 120.566 120.570 -0.128 0.000 2.252 152 I HA -0.157 4.013 4.170 -0.001 0.000 0.245 152 I C 2.846 178.849 176.117 -0.189 0.000 1.102 152 I CA 1.779 62.996 61.300 -0.138 0.000 1.385 152 I CB -0.425 37.505 38.000 -0.116 0.000 1.064 152 I HN 0.253 nan 8.210 nan 0.000 0.414 153 K N 0.318 120.607 120.400 -0.185 0.000 2.063 153 K HA -0.154 4.166 4.320 -0.001 0.000 0.208 153 K C 2.114 178.601 176.600 -0.189 0.000 1.048 153 K CA 1.931 58.105 56.287 -0.187 0.000 0.928 153 K CB -0.303 32.121 32.500 -0.125 0.000 0.713 153 K HN 0.307 nan 8.250 nan 0.000 0.442 154 T N 1.023 115.432 114.554 -0.240 0.000 2.746 154 T HA -0.143 4.207 4.350 -0.001 0.000 0.267 154 T C 1.966 176.570 174.700 -0.161 0.000 1.039 154 T CA 1.369 63.338 62.100 -0.219 0.000 1.142 154 T CB -0.229 68.447 68.868 -0.320 0.000 0.866 154 T HN 0.330 nan 8.240 nan 0.000 0.444 155 A N 1.216 123.943 122.820 -0.155 0.000 1.902 155 A HA 0.011 4.330 4.320 -0.001 0.000 0.217 155 A C 2.295 179.807 177.584 -0.119 0.000 1.181 155 A CA 1.216 53.182 52.037 -0.118 0.000 0.623 155 A CB -0.797 18.146 19.000 -0.095 0.000 0.818 155 A HN 0.481 nan 8.150 nan 0.000 0.443 156 L N -1.325 119.810 121.223 -0.147 0.000 2.109 156 L HA -0.110 4.229 4.340 -0.001 0.000 0.207 156 L C 2.785 179.595 176.870 -0.100 0.000 1.086 156 L CA 1.584 56.340 54.840 -0.140 0.000 0.760 156 L CB -0.449 41.449 42.059 -0.268 0.000 0.910 156 L HN 0.474 nan 8.230 nan 0.000 0.437 157 R N 0.427 120.863 120.500 -0.108 0.000 2.062 157 R HA -0.116 4.223 4.340 -0.001 0.000 0.229 157 R C 1.920 178.161 176.300 -0.098 0.000 1.128 157 R CA 1.312 57.362 56.100 -0.083 0.000 0.960 157 R CB 0.077 30.334 30.300 -0.072 0.000 0.855 157 R HN 0.358 nan 8.270 nan 0.000 0.432 158 E N 0.690 120.824 120.200 -0.110 0.000 2.385 158 E HA -0.018 4.331 4.350 -0.001 0.000 0.194 158 E C -0.224 176.286 176.600 -0.150 0.000 1.013 158 E CA 0.046 56.370 56.400 -0.126 0.000 0.866 158 E CB 0.397 30.024 29.700 -0.123 0.000 0.832 158 E HN 0.152 nan 8.360 nan 0.000 0.500 159 K N 1.311 121.632 120.400 -0.132 0.000 3.244 159 K HA -0.126 4.194 4.320 -0.001 0.000 0.270 159 K C -0.387 176.099 176.600 -0.191 0.000 1.016 159 K CA 0.764 56.972 56.287 -0.132 0.000 0.754 159 K CB -1.186 31.241 32.500 -0.122 0.000 1.326 159 K HN 0.097 nan 8.250 nan 0.000 0.465 160 K N -0.481 119.803 120.400 -0.193 0.000 2.512 160 K HA 0.512 4.831 4.320 -0.001 0.000 0.263 160 K C -2.576 173.956 176.600 -0.113 0.000 0.966 160 K CA -1.907 54.222 56.287 -0.264 0.000 0.851 160 K CB 2.352 34.619 32.500 -0.389 0.000 1.395 160 K HN -0.127 nan 8.250 nan 0.000 0.440 161 P HA 0.260 nan 4.420 nan 0.000 0.276 161 P C -0.375 176.950 177.300 0.042 0.000 1.252 161 P CA -0.454 62.654 63.100 0.013 0.000 0.802 161 P CB 0.878 32.600 31.700 0.036 0.000 1.035 162 V N -2.017 117.923 119.914 0.043 0.000 3.160 162 V HA 0.650 4.769 4.120 -0.001 0.000 0.310 162 V C -1.487 174.684 176.094 0.128 0.000 1.181 162 V CA -1.101 61.235 62.300 0.060 0.000 1.047 162 V CB 2.013 33.836 31.823 -0.000 0.000 1.068 162 V HN 0.589 nan 8.190 nan 0.000 0.441 163 Y N 0.941 121.236 120.300 -0.009 0.000 2.442 163 Y HA 0.850 5.400 4.550 -0.001 0.000 0.344 163 Y C -1.421 174.481 175.900 0.003 0.000 0.976 163 Y CA -0.948 57.160 58.100 0.013 0.000 1.040 163 Y CB 1.937 40.403 38.460 0.010 0.000 1.228 163 Y HN 0.840 nan 8.280 nan 0.000 0.451 164 L N 5.778 126.629 121.223 -0.619 0.000 2.401 164 L HA 0.530 4.869 4.340 -0.001 0.000 0.266 164 L C -1.332 175.043 176.870 -0.826 0.000 0.991 164 L CA -0.862 53.643 54.840 -0.558 0.000 0.818 164 L CB 2.523 44.420 42.059 -0.269 0.000 1.321 164 L HN 0.779 nan 8.230 nan 0.000 0.413 165 E N 3.069 122.939 120.200 -0.550 0.000 2.288 165 E HA 0.723 5.073 4.350 -0.001 0.000 0.268 165 E C -1.451 175.032 176.600 -0.196 0.000 0.885 165 E CA -0.803 55.406 56.400 -0.318 0.000 0.767 165 E CB 2.845 32.478 29.700 -0.112 0.000 1.220 165 E HN 0.441 nan 8.360 nan 0.000 0.427 166 I N 1.882 122.384 120.570 -0.113 0.000 2.478 166 I HA 0.405 4.574 4.170 -0.001 0.000 0.287 166 I C -0.152 175.955 176.117 -0.017 0.000 1.042 166 I CA -1.138 60.113 61.300 -0.081 0.000 1.067 166 I CB 1.985 39.947 38.000 -0.062 0.000 1.233 166 I HN 0.796 nan 8.210 nan 0.000 0.431 167 A N 4.308 127.137 122.820 0.015 0.000 2.567 167 A HA -0.011 4.309 4.320 -0.001 0.000 0.240 167 A C 1.466 179.091 177.584 0.069 0.000 1.053 167 A CA 0.075 52.157 52.037 0.075 0.000 0.755 167 A CB -0.061 19.023 19.000 0.141 0.000 0.978 167 A HN 1.133 nan 8.150 nan 0.000 0.507 168 C N 2.002 121.362 119.300 0.098 0.000 2.419 168 C HA -0.085 4.375 4.460 -0.001 0.000 0.283 168 C C 1.613 176.651 174.990 0.079 0.000 1.373 168 C CA 0.826 59.914 59.018 0.116 0.000 1.781 168 C CB -1.357 26.503 27.740 0.200 0.000 1.886 168 C HN 0.898 nan 8.230 nan 0.000 0.520 169 N N 2.144 120.887 118.700 0.072 0.000 2.270 169 N HA 0.048 4.788 4.740 -0.001 0.000 0.198 169 N C 1.049 176.585 175.510 0.044 0.000 1.117 169 N CA 0.682 53.764 53.050 0.053 0.000 0.845 169 N CB -0.664 37.855 38.487 0.053 0.000 0.980 169 N HN 0.851 nan 8.380 nan 0.000 0.486 170 I N -4.720 115.875 120.570 0.042 0.000 4.082 170 I HA 0.486 4.656 4.170 -0.001 0.000 0.337 170 I C 1.579 177.709 176.117 0.022 0.000 1.352 170 I CA -0.388 60.929 61.300 0.029 0.000 1.097 170 I CB 0.294 38.308 38.000 0.024 0.000 1.048 170 I HN -0.058 nan 8.210 nan 0.000 0.393 171 A N 1.190 124.027 122.820 0.027 0.000 2.019 171 A HA -0.070 4.249 4.320 -0.001 0.000 0.219 171 A C 2.236 179.838 177.584 0.030 0.000 1.164 171 A CA 1.987 54.040 52.037 0.026 0.000 0.644 171 A CB -0.507 18.512 19.000 0.032 0.000 0.805 171 A HN 0.487 nan 8.150 nan 0.000 0.449 172 S N -0.791 114.926 115.700 0.028 0.000 2.540 172 S HA 0.322 4.791 4.470 -0.001 0.000 0.218 172 S C 0.560 175.175 174.600 0.026 0.000 0.977 172 S CA -0.265 57.951 58.200 0.026 0.000 0.918 172 S CB -0.154 63.059 63.200 0.020 0.000 0.806 172 S HN 0.517 nan 8.310 nan 0.000 0.496 173 M N 2.612 122.227 119.600 0.025 0.000 2.250 173 M HA 0.288 4.768 4.480 -0.001 0.000 0.344 173 M C -2.603 173.715 176.300 0.030 0.000 1.150 173 M CA -1.937 53.377 55.300 0.023 0.000 1.147 173 M CB 0.125 32.736 32.600 0.018 0.000 1.498 173 M HN -0.189 nan 8.290 nan 0.000 0.461 174 P HA 0.186 nan 4.420 nan 0.000 0.275 174 P C -1.101 176.222 177.300 0.039 0.000 1.228 174 P CA -0.531 62.597 63.100 0.047 0.000 0.786 174 P CB 0.490 32.213 31.700 0.038 0.000 0.927 175 C N -0.247 119.092 119.300 0.064 0.000 3.340 175 C HA 0.888 5.348 4.460 -0.001 0.000 0.333 175 C C 0.253 175.290 174.990 0.078 0.000 1.464 175 C CA -1.124 57.908 59.018 0.024 0.000 1.337 175 C CB 0.972 28.677 27.740 -0.059 0.000 1.740 175 C HN 0.664 nan 8.230 nan 0.000 0.450 176 A N 0.583 123.423 122.820 0.032 0.000 2.455 176 A HA 0.572 4.892 4.320 -0.001 0.000 0.244 176 A C 0.539 178.231 177.584 0.181 0.000 1.099 176 A CA 0.544 52.631 52.037 0.082 0.000 0.786 176 A CB -0.530 18.494 19.000 0.040 0.000 1.051 176 A HN 2.407 nan 8.150 nan 0.000 0.508 177 A N 0.850 123.745 122.820 0.125 0.000 2.295 177 A HA 0.722 5.041 4.320 -0.001 0.000 0.318 177 A C -2.527 174.965 177.584 -0.154 0.000 1.134 177 A CA -1.682 50.293 52.037 -0.103 0.000 0.827 177 A CB -0.039 18.971 19.000 0.017 0.000 1.136 177 A HN 0.636 nan 8.150 nan 0.000 0.493 178 P HA 0.336 nan 4.420 nan 0.000 0.276 178 P C 0.544 177.691 177.300 -0.256 0.000 1.230 178 P CA 0.148 62.933 63.100 -0.525 0.000 0.776 178 P CB 0.958 32.108 31.700 -0.916 0.000 0.888 179 G N 3.461 112.184 108.800 -0.128 0.000 2.489 179 G HA2 0.347 4.307 3.960 -0.001 0.000 0.271 179 G HA3 0.347 4.307 3.960 -0.001 0.000 0.271 179 G C -2.332 172.523 174.900 -0.074 0.000 1.427 179 G CA -1.064 43.993 45.100 -0.071 0.000 1.057 179 G HN 0.339 nan 8.290 nan 0.000 0.532 180 P HA 0.252 nan 4.420 nan 0.000 0.268 180 P C 0.611 177.911 177.300 0.000 0.000 1.204 180 P CA 0.363 63.454 63.100 -0.015 0.000 0.768 180 P CB 1.147 32.848 31.700 0.002 0.000 0.842 181 A N 3.025 125.857 122.820 0.020 0.000 1.986 181 A HA -0.213 4.107 4.320 -0.001 0.000 0.220 181 A C 2.075 179.767 177.584 0.180 0.000 1.171 181 A CA 2.241 54.329 52.037 0.086 0.000 0.640 181 A CB -1.580 17.488 19.000 0.114 0.000 0.811 181 A HN 0.618 nan 8.150 nan 0.000 0.451 182 S N 0.026 115.802 115.700 0.128 0.000 2.442 182 S HA 0.052 4.521 4.470 -0.001 0.000 0.236 182 S C 1.941 176.634 174.600 0.155 0.000 1.007 182 S CA 1.110 59.405 58.200 0.158 0.000 0.965 182 S CB -0.595 62.644 63.200 0.066 0.000 0.773 182 S HN 0.905 nan 8.310 nan 0.000 0.504 183 A N 1.938 124.809 122.820 0.084 0.000 2.019 183 A HA 0.172 4.492 4.320 -0.001 0.000 0.219 183 A C 2.179 179.774 177.584 0.018 0.000 1.164 183 A CA 1.120 53.184 52.037 0.045 0.000 0.644 183 A CB -0.733 18.277 19.000 0.018 0.000 0.805 183 A HN 0.567 nan 8.150 nan 0.000 0.449 184 L N -2.428 118.786 121.223 -0.015 0.000 2.291 184 L HA -0.027 4.312 4.340 -0.001 0.000 0.214 184 L C 1.765 178.433 176.870 -0.336 0.000 1.120 184 L CA 0.775 55.491 54.840 -0.207 0.000 0.799 184 L CB -0.316 41.533 42.059 -0.351 0.000 0.925 184 L HN 0.393 nan 8.230 nan 0.000 0.446 185 F N -1.169 118.771 119.950 -0.018 0.000 2.746 185 F HA 0.114 4.641 4.527 -0.000 0.000 0.297 185 F C 1.104 176.900 175.800 -0.007 0.000 1.113 185 F CA -0.713 57.278 58.000 -0.016 0.000 1.367 185 F CB -0.271 38.718 39.000 -0.017 0.000 1.111 185 F HN -0.025 nan 8.300 nan 0.000 0.590 186 N N 1.951 120.732 118.700 0.134 0.000 2.374 186 N HA -0.040 4.700 4.740 -0.001 0.000 0.269 186 N C -0.851 174.697 175.510 0.063 0.000 1.310 186 N CA 0.629 53.731 53.050 0.086 0.000 0.877 186 N CB 0.035 38.555 38.487 0.055 0.000 1.096 186 N HN 0.087 nan 8.380 nan 0.000 0.484 187 D N 0.582 121.027 120.400 0.075 0.000 2.552 187 D HA 0.185 4.824 4.640 -0.001 0.000 0.239 187 D C -0.932 175.421 176.300 0.088 0.000 1.139 187 D CA -0.637 53.410 54.000 0.079 0.000 0.914 187 D CB 1.042 41.901 40.800 0.098 0.000 1.461 187 D HN 0.598 nan 8.370 nan 0.000 0.462 188 E N 0.544 120.806 120.200 0.104 0.000 2.408 188 E HA 0.496 4.846 4.350 -0.001 0.000 0.259 188 E C -0.742 175.887 176.600 0.047 0.000 1.110 188 E CA -0.800 55.645 56.400 0.075 0.000 0.929 188 E CB 1.008 30.753 29.700 0.075 0.000 0.971 188 E HN 0.338 nan 8.360 nan 0.000 0.438 189 A N 2.418 125.196 122.820 -0.070 0.000 2.256 189 A HA 0.381 4.700 4.320 -0.001 0.000 0.318 189 A C -0.105 177.244 177.584 -0.390 0.000 1.103 189 A CA -0.732 51.178 52.037 -0.211 0.000 0.860 189 A CB 0.975 19.907 19.000 -0.114 0.000 1.182 189 A HN 0.649 nan 8.150 nan 0.000 0.501 190 S N 0.409 115.794 115.700 -0.524 0.000 2.558 190 S HA 0.109 4.578 4.470 -0.001 0.000 0.288 190 S C 0.012 174.513 174.600 -0.165 0.000 1.318 190 S CA 0.098 58.068 58.200 -0.383 0.000 1.056 190 S CB 0.220 63.273 63.200 -0.246 0.000 0.853 190 S HN 0.729 nan 8.310 nan 0.000 0.505 191 D N 1.091 121.438 120.400 -0.088 0.000 2.401 191 D HA 0.083 4.722 4.640 -0.001 0.000 0.254 191 D C 1.004 177.285 176.300 -0.033 0.000 1.192 191 D CA -0.017 53.961 54.000 -0.037 0.000 0.885 191 D CB 0.687 41.489 40.800 0.003 0.000 1.147 191 D HN 0.500 nan 8.370 nan 0.000 0.478 192 E N 3.597 123.778 120.200 -0.032 0.000 2.038 192 E HA -0.198 4.151 4.350 -0.001 0.000 0.195 192 E C 1.855 178.442 176.600 -0.022 0.000 1.000 192 E CA 1.802 58.184 56.400 -0.030 0.000 0.803 192 E CB -0.349 29.336 29.700 -0.025 0.000 0.750 192 E HN 0.596 nan 8.360 nan 0.000 0.448 193 A N -0.220 122.596 122.820 -0.006 0.000 1.908 193 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 193 A C 2.431 180.018 177.584 0.005 0.000 1.181 193 A CA 2.172 54.212 52.037 0.006 0.000 0.627 193 A CB -0.755 18.260 19.000 0.025 0.000 0.818 193 A HN 0.295 nan 8.150 nan 0.000 0.445 194 S N -0.692 115.021 115.700 0.022 0.000 2.371 194 S HA -0.085 4.384 4.470 -0.001 0.000 0.224 194 S C 1.848 176.379 174.600 -0.116 0.000 1.029 194 S CA 1.166 59.386 58.200 0.033 0.000 0.978 194 S CB -0.431 62.840 63.200 0.118 0.000 0.833 194 S HN 0.501 nan 8.310 nan 0.000 0.466 195 L N 3.130 124.311 121.223 -0.070 0.000 1.990 195 L HA -0.130 4.210 4.340 -0.001 0.000 0.213 195 L C 1.700 178.507 176.870 -0.104 0.000 1.072 195 L CA 1.843 56.641 54.840 -0.069 0.000 0.755 195 L CB -1.050 40.985 42.059 -0.040 0.000 0.889 195 L HN 0.162 nan 8.230 nan 0.000 0.432 196 N N -0.029 118.616 118.700 -0.091 0.000 2.142 196 N HA -0.109 4.630 4.740 -0.001 0.000 0.186 196 N C 1.791 177.221 175.510 -0.134 0.000 1.023 196 N CA 1.555 54.553 53.050 -0.086 0.000 0.852 196 N CB -0.404 38.053 38.487 -0.050 0.000 0.998 196 N HN 0.550 nan 8.380 nan 0.000 0.424 197 A N 0.937 123.644 122.820 -0.189 0.000 1.930 197 A HA 0.083 4.403 4.320 -0.001 0.000 0.217 197 A C 2.353 179.581 177.584 -0.593 0.000 1.175 197 A CA 1.706 53.590 52.037 -0.256 0.000 0.627 197 A CB -0.655 18.287 19.000 -0.097 0.000 0.815 197 A HN 0.305 nan 8.150 nan 0.000 0.443 198 A N -0.579 121.678 122.820 -0.939 0.000 1.930 198 A HA 0.033 4.353 4.320 -0.001 0.000 0.217 198 A C 2.218 179.686 177.584 -0.194 0.000 1.175 198 A CA 1.718 53.212 52.037 -0.906 0.000 0.627 198 A CB -0.800 17.792 19.000 -0.679 0.000 0.815 198 A HN 0.344 nan 8.150 nan 0.000 0.443 199 V N 0.248 120.101 119.914 -0.102 0.000 2.307 199 V HA -0.186 3.933 4.120 -0.001 0.000 0.245 199 V C 2.563 178.632 176.094 -0.041 0.000 1.045 199 V CA 2.044 64.308 62.300 -0.060 0.000 1.024 199 V CB -0.679 31.078 31.823 -0.110 0.000 0.651 199 V HN 0.506 nan 8.190 nan 0.000 0.449 200 E N -0.114 120.053 120.200 -0.055 0.000 2.077 200 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 200 E C 2.249 178.869 176.600 0.033 0.000 0.989 200 E CA 0.984 57.378 56.400 -0.009 0.000 0.800 200 E CB -0.278 29.417 29.700 -0.008 0.000 0.746 200 E HN 0.580 nan 8.360 nan 0.000 0.452 201 E N 0.163 120.380 120.200 0.028 0.000 2.150 201 E HA -0.079 4.271 4.350 -0.001 0.000 0.193 201 E C 2.046 178.735 176.600 0.149 0.000 0.985 201 E CA 0.905 57.372 56.400 0.112 0.000 0.814 201 E CB -0.258 29.550 29.700 0.179 0.000 0.752 201 E HN 0.246 nan 8.360 nan 0.000 0.466 202 T N 1.803 116.429 114.554 0.119 0.000 2.777 202 T HA -0.054 4.296 4.350 -0.001 0.000 0.266 202 T C 2.158 176.971 174.700 0.189 0.000 1.040 202 T CA 0.650 62.851 62.100 0.168 0.000 1.141 202 T CB -0.154 68.807 68.868 0.154 0.000 0.868 202 T HN 0.089 nan 8.240 nan 0.000 0.444 203 L N 0.381 121.675 121.223 0.118 0.000 2.017 203 L HA -0.100 4.240 4.340 -0.001 0.000 0.208 203 L C 2.659 179.595 176.870 0.111 0.000 1.073 203 L CA 1.422 56.322 54.840 0.100 0.000 0.745 203 L CB -0.464 41.628 42.059 0.056 0.000 0.894 203 L HN 0.185 nan 8.230 nan 0.000 0.432 204 K N -0.538 119.934 120.400 0.120 0.000 2.063 204 K HA -0.218 4.102 4.320 -0.001 0.000 0.208 204 K C 2.004 178.690 176.600 0.144 0.000 1.048 204 K CA 1.590 57.946 56.287 0.114 0.000 0.928 204 K CB -0.266 32.305 32.500 0.118 0.000 0.713 204 K HN 0.072 nan 8.250 nan 0.000 0.442 205 F N 1.549 121.531 119.950 0.053 0.000 2.171 205 F HA -0.094 4.432 4.527 -0.001 0.000 0.300 205 F C 1.660 177.488 175.800 0.047 0.000 1.090 205 F CA 1.204 59.237 58.000 0.054 0.000 1.293 205 F CB 0.042 39.083 39.000 0.068 0.000 1.013 205 F HN -0.026 nan 8.300 nan 0.000 0.486 206 I N -2.220 118.421 120.570 0.118 0.000 3.883 206 I HA 0.342 4.512 4.170 -0.001 0.000 0.326 206 I C 1.939 178.049 176.117 -0.011 0.000 1.283 206 I CA 0.631 61.947 61.300 0.027 0.000 1.161 206 I CB -0.839 37.244 38.000 0.137 0.000 1.012 206 I HN 0.037 nan 8.210 nan 0.000 0.421 207 A N 2.639 125.454 122.820 -0.008 0.000 1.873 207 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 207 A C 1.546 179.112 177.584 -0.030 0.000 1.193 207 A CA 1.874 53.907 52.037 -0.007 0.000 0.629 207 A CB -0.668 18.332 19.000 0.001 0.000 0.826 207 A HN 0.679 nan 8.150 nan 0.000 0.447 208 N N -0.085 118.577 118.700 -0.064 0.000 2.610 208 N HA 0.230 4.969 4.740 -0.001 0.000 0.309 208 N C -1.031 174.420 175.510 -0.098 0.000 1.536 208 N CA -0.027 52.983 53.050 -0.066 0.000 0.954 208 N CB 0.685 39.139 38.487 -0.056 0.000 1.310 208 N HN 0.375 nan 8.380 nan 0.000 0.502 209 R N 0.403 120.844 120.500 -0.099 0.000 2.521 209 R HA 0.115 4.454 4.340 -0.001 0.000 0.295 209 R C -0.167 176.106 176.300 -0.046 0.000 1.183 209 R CA -0.419 55.621 56.100 -0.099 0.000 0.957 209 R CB 1.490 31.688 30.300 -0.170 0.000 1.171 209 R HN 0.022 nan 8.270 nan 0.000 0.494 210 D N 2.024 122.405 120.400 -0.031 0.000 2.213 210 D HA -0.034 4.606 4.640 -0.001 0.000 0.205 210 D C -0.247 176.053 176.300 -0.000 0.000 0.961 210 D CA 0.899 54.894 54.000 -0.009 0.000 0.853 210 D CB 0.597 41.397 40.800 -0.001 0.000 0.967 210 D HN 0.203 nan 8.370 nan 0.000 0.496 211 K N 0.806 121.198 120.400 -0.013 0.000 2.150 211 K HA 0.258 4.578 4.320 -0.001 0.000 0.261 211 K C -0.927 175.672 176.600 -0.002 0.000 1.127 211 K CA -0.299 55.981 56.287 -0.011 0.000 0.989 211 K CB 1.698 34.161 32.500 -0.061 0.000 1.475 211 K HN -0.060 nan 8.250 nan 0.000 0.391 212 V N 2.390 122.315 119.914 0.019 0.000 2.370 212 V HA 0.414 4.534 4.120 -0.001 0.000 0.279 212 V C 0.120 176.235 176.094 0.034 0.000 1.029 212 V CA -0.794 61.532 62.300 0.044 0.000 0.870 212 V CB 1.240 33.100 31.823 0.061 0.000 0.984 212 V HN 0.743 nan 8.190 nan 0.000 0.451 213 A N 4.830 127.677 122.820 0.046 0.000 2.340 213 A HA 0.863 5.183 4.320 -0.001 0.000 0.331 213 A C -0.741 176.873 177.584 0.050 0.000 1.140 213 A CA -0.578 51.475 52.037 0.026 0.000 0.801 213 A CB 1.648 20.657 19.000 0.016 0.000 1.234 213 A HN 0.618 nan 8.150 nan 0.000 0.469 214 V N 2.549 122.471 119.914 0.013 0.000 2.417 214 V HA 0.394 4.513 4.120 -0.001 0.000 0.291 214 V C -0.758 175.321 176.094 -0.024 0.000 1.024 214 V CA -0.391 61.930 62.300 0.035 0.000 0.861 214 V CB 1.208 33.050 31.823 0.031 0.000 0.985 214 V HN 0.747 nan 8.190 nan 0.000 0.436 215 L N 6.890 128.123 121.223 0.016 0.000 2.294 215 L HA 0.571 4.910 4.340 -0.001 0.000 0.283 215 L C -0.305 176.554 176.870 -0.018 0.000 1.015 215 L CA 0.072 54.913 54.840 0.000 0.000 0.831 215 L CB 1.562 43.660 42.059 0.065 0.000 1.217 215 L HN 0.439 nan 8.230 nan 0.000 0.420 216 V N 5.411 125.292 119.914 -0.054 0.000 2.432 216 V HA 0.609 4.728 4.120 -0.001 0.000 0.271 216 V C 0.968 177.035 176.094 -0.045 0.000 1.046 216 V CA 0.050 62.335 62.300 -0.025 0.000 0.945 216 V CB 0.752 32.571 31.823 -0.006 0.000 0.992 216 V HN 0.897 nan 8.190 nan 0.000 0.471 217 G N 2.638 111.418 108.800 -0.032 0.000 2.491 217 G HA2 0.434 4.394 3.960 -0.001 0.000 0.327 217 G HA3 0.434 4.394 3.960 -0.001 0.000 0.327 217 G C 0.791 175.692 174.900 0.002 0.000 1.189 217 G CA 0.152 45.192 45.100 -0.100 0.000 0.956 217 G HN 0.803 nan 8.290 nan 0.000 0.491 218 S N -1.233 114.422 115.700 -0.074 0.000 2.603 218 S HA 0.060 4.530 4.470 -0.001 0.000 0.220 218 S C 1.208 175.915 174.600 0.179 0.000 0.967 218 S CA 0.301 58.520 58.200 0.033 0.000 0.920 218 S CB 0.050 63.160 63.200 -0.151 0.000 0.773 218 S HN 0.509 nan 8.310 nan 0.000 0.529 219 K N 0.169 120.606 120.400 0.063 0.000 2.399 219 K HA 0.357 4.677 4.320 -0.001 0.000 0.204 219 K C 1.111 177.698 176.600 -0.022 0.000 1.023 219 K CA -0.197 56.096 56.287 0.010 0.000 1.127 219 K CB 0.112 32.581 32.500 -0.051 0.000 0.856 219 K HN 0.164 nan 8.250 nan 0.000 0.514 220 L N 1.588 122.829 121.223 0.030 0.000 2.046 220 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 220 L C 2.325 179.073 176.870 -0.203 0.000 1.077 220 L CA 1.773 56.590 54.840 -0.039 0.000 0.747 220 L CB -0.228 41.871 42.059 0.066 0.000 0.896 220 L HN 0.112 nan 8.230 nan 0.000 0.432 221 R N -0.719 119.501 120.500 -0.468 0.000 2.081 221 R HA -0.133 4.207 4.340 -0.001 0.000 0.235 221 R C 2.151 178.304 176.300 -0.245 0.000 1.131 221 R CA 1.310 57.114 56.100 -0.493 0.000 0.960 221 R CB -0.395 29.420 30.300 -0.807 0.000 0.856 221 R HN 0.446 nan 8.270 nan 0.000 0.436 222 A N 0.461 123.175 122.820 -0.177 0.000 2.024 222 A HA -0.073 4.246 4.320 -0.001 0.000 0.220 222 A C 2.129 179.646 177.584 -0.111 0.000 1.164 222 A CA 1.619 53.583 52.037 -0.121 0.000 0.643 222 A CB -0.513 18.425 19.000 -0.102 0.000 0.806 222 A HN 0.530 nan 8.150 nan 0.000 0.451 223 A N -1.615 121.139 122.820 -0.109 0.000 2.251 223 A HA 0.422 4.741 4.320 -0.001 0.000 0.209 223 A C 1.731 179.273 177.584 -0.071 0.000 1.187 223 A CA 1.062 53.044 52.037 -0.090 0.000 0.823 223 A CB -0.970 17.987 19.000 -0.072 0.000 0.846 223 A HN 1.837 nan 8.150 nan 0.000 0.486 224 G N -1.560 107.186 108.800 -0.089 0.000 2.283 224 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.280 224 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.280 224 G C 0.649 175.517 174.900 -0.053 0.000 1.029 224 G CA 0.450 45.506 45.100 -0.075 0.000 0.840 224 G HN 1.556 nan 8.290 nan 0.000 0.505 225 A N -1.099 121.688 122.820 -0.055 0.000 2.564 225 A HA 0.601 4.921 4.320 -0.001 0.000 0.279 225 A C 1.452 179.037 177.584 0.002 0.000 1.232 225 A CA 1.034 53.063 52.037 -0.013 0.000 0.950 225 A CB 0.158 19.163 19.000 0.007 0.000 1.138 225 A HN 0.495 nan 8.150 nan 0.000 0.526 226 E N 0.239 120.417 120.200 -0.038 0.000 2.058 226 E HA -0.238 4.112 4.350 -0.001 0.000 0.194 226 E C 1.797 178.402 176.600 0.010 0.000 0.997 226 E CA 1.529 57.920 56.400 -0.015 0.000 0.801 226 E CB 0.009 29.659 29.700 -0.083 0.000 0.746 226 E HN 0.792 nan 8.360 nan 0.000 0.450 227 E N 0.311 120.502 120.200 -0.014 0.000 2.072 227 E HA -0.147 4.202 4.350 -0.001 0.000 0.190 227 E C 2.008 178.624 176.600 0.026 0.000 0.982 227 E CA 0.827 57.219 56.400 -0.012 0.000 0.803 227 E CB -0.037 29.649 29.700 -0.024 0.000 0.755 227 E HN 0.212 nan 8.360 nan 0.000 0.453 228 A N 1.002 123.846 122.820 0.039 0.000 2.015 228 A HA -0.034 4.285 4.320 -0.001 0.000 0.219 228 A C 2.285 179.948 177.584 0.133 0.000 1.163 228 A CA 1.472 53.548 52.037 0.066 0.000 0.646 228 A CB -0.484 18.545 19.000 0.047 0.000 0.806 228 A HN 0.391 nan 8.150 nan 0.000 0.448 229 A N -0.532 122.385 122.820 0.161 0.000 1.930 229 A HA 0.066 4.386 4.320 -0.001 0.000 0.217 229 A C 2.172 179.978 177.584 0.371 0.000 1.175 229 A CA 1.570 53.777 52.037 0.283 0.000 0.627 229 A CB -0.718 18.461 19.000 0.299 0.000 0.815 229 A HN 0.338 nan 8.150 nan 0.000 0.443 230 V N 0.231 120.284 119.914 0.232 0.000 2.295 230 V HA -0.269 3.850 4.120 -0.001 0.000 0.246 230 V C 2.441 178.616 176.094 0.135 0.000 1.049 230 V CA 2.283 64.668 62.300 0.141 0.000 1.024 230 V CB -0.677 31.098 31.823 -0.080 0.000 0.648 230 V HN 0.520 nan 8.190 nan 0.000 0.447 231 K N -0.684 119.780 120.400 0.106 0.000 2.032 231 K HA -0.232 4.088 4.320 -0.001 0.000 0.209 231 K C 2.113 178.777 176.600 0.107 0.000 1.048 231 K CA 2.117 58.456 56.287 0.086 0.000 0.927 231 K CB -0.382 32.161 32.500 0.070 0.000 0.712 231 K HN 0.479 nan 8.250 nan 0.000 0.441 232 F N 1.348 121.311 119.950 0.021 0.000 2.146 232 F HA -0.121 4.405 4.527 -0.001 0.000 0.298 232 F C 2.064 177.858 175.800 -0.011 0.000 1.096 232 F CA 1.243 59.237 58.000 -0.010 0.000 1.275 232 F CB -0.369 38.619 39.000 -0.021 0.000 1.008 232 F HN -0.046 nan 8.300 nan 0.000 0.480 233 A N 0.045 122.793 122.820 -0.120 0.000 1.930 233 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 233 A C 1.949 179.290 177.584 -0.404 0.000 1.175 233 A CA 1.843 53.724 52.037 -0.260 0.000 0.627 233 A CB -0.946 18.174 19.000 0.200 0.000 0.815 233 A HN 0.430 nan 8.150 nan 0.000 0.443 234 D N 0.128 120.443 120.400 -0.141 0.000 2.144 234 D HA -0.018 4.622 4.640 -0.001 0.000 0.200 234 D C 2.210 178.418 176.300 -0.154 0.000 0.978 234 D CA 1.447 55.409 54.000 -0.062 0.000 0.833 234 D CB -0.378 40.471 40.800 0.082 0.000 0.961 234 D HN 0.418 nan 8.370 nan 0.000 0.470 235 A N 0.620 123.330 122.820 -0.182 0.000 1.898 235 A HA -0.103 4.216 4.320 -0.001 0.000 0.216 235 A C 2.166 179.601 177.584 -0.248 0.000 1.181 235 A CA 0.867 52.806 52.037 -0.163 0.000 0.620 235 A CB -0.694 18.240 19.000 -0.109 0.000 0.819 235 A HN 0.231 nan 8.150 nan 0.000 0.442 236 L N -0.431 120.516 121.223 -0.461 0.000 2.056 236 L HA 0.117 4.457 4.340 -0.001 0.000 0.207 236 L C 1.704 178.379 176.870 -0.326 0.000 1.078 236 L CA 2.034 56.601 54.840 -0.455 0.000 0.749 236 L CB -0.709 40.892 42.059 -0.764 0.000 0.901 236 L HN 0.768 nan 8.230 nan 0.000 0.433 237 G N -1.158 107.367 108.800 -0.459 0.000 2.225 237 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.267 237 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.267 237 G C 0.584 175.370 174.900 -0.190 0.000 1.024 237 G CA 0.319 45.200 45.100 -0.365 0.000 0.784 237 G HN 0.866 nan 8.290 nan 0.000 0.507 238 G N -0.986 107.657 108.800 -0.261 0.000 2.557 238 G HA2 0.826 4.785 3.960 -0.001 0.000 0.302 238 G HA3 0.826 4.785 3.960 -0.001 0.000 0.302 238 G C 0.374 175.252 174.900 -0.036 0.000 1.311 238 G CA 0.123 45.163 45.100 -0.099 0.000 1.030 238 G HN 1.507 nan 8.290 nan 0.000 0.509 239 A N -0.943 121.873 122.820 -0.007 0.000 2.409 239 A HA 0.549 4.869 4.320 -0.001 0.000 0.262 239 A C -0.325 177.203 177.584 -0.092 0.000 1.113 239 A CA -0.217 51.799 52.037 -0.036 0.000 0.790 239 A CB 0.605 19.578 19.000 -0.046 0.000 1.046 239 A HN 0.813 nan 8.150 nan 0.000 0.496 240 V N 2.039 121.875 119.914 -0.129 0.000 2.444 240 V HA 0.668 4.787 4.120 -0.001 0.000 0.294 240 V C 0.382 176.335 176.094 -0.235 0.000 1.022 240 V CA -0.136 62.026 62.300 -0.230 0.000 0.850 240 V CB 1.062 32.602 31.823 -0.473 0.000 0.992 240 V HN 1.201 nan 8.190 nan 0.000 0.426 241 A N 3.357 126.052 122.820 -0.208 0.000 2.374 241 A HA 0.932 5.252 4.320 -0.001 0.000 0.317 241 A C 0.083 177.619 177.584 -0.080 0.000 1.094 241 A CA -0.552 51.367 52.037 -0.196 0.000 0.765 241 A CB 1.694 20.576 19.000 -0.196 0.000 1.268 241 A HN 0.866 nan 8.150 nan 0.000 0.438 242 T N 0.099 114.655 114.554 0.004 0.000 2.867 242 T HA 0.637 4.986 4.350 -0.001 0.000 0.282 242 T C 0.275 174.895 174.700 -0.133 0.000 1.000 242 T CA -0.570 61.511 62.100 -0.032 0.000 1.042 242 T CB 0.606 69.489 68.868 0.024 0.000 0.973 242 T HN 0.544 nan 8.240 nan 0.000 0.465 243 M N 2.038 121.526 119.600 -0.187 0.000 2.226 243 M HA 0.347 4.827 4.480 -0.001 0.000 0.324 243 M C 1.925 177.936 176.300 -0.482 0.000 1.112 243 M CA -0.595 54.525 55.300 -0.300 0.000 1.176 243 M CB 0.454 32.876 32.600 -0.297 0.000 1.430 243 M HN 0.953 nan 8.290 nan 0.000 0.462 244 A N 1.852 124.185 122.820 -0.811 0.000 1.903 244 A HA -0.177 4.143 4.320 -0.001 0.000 0.219 244 A C 2.058 179.092 177.584 -0.917 0.000 1.191 244 A CA 2.433 53.798 52.037 -1.121 0.000 0.638 244 A CB -1.107 16.438 19.000 -2.425 0.000 0.823 244 A HN 0.957 nan 8.150 nan 0.000 0.451 245 A N -1.265 121.030 122.820 -0.876 0.000 2.239 245 A HA 0.441 4.761 4.320 -0.001 0.000 0.209 245 A C 1.831 179.064 177.584 -0.586 0.000 1.171 245 A CA 1.291 52.906 52.037 -0.703 0.000 0.768 245 A CB -0.537 18.100 19.000 -0.605 0.000 0.790 245 A HN 1.115 nan 8.150 nan 0.000 0.478 246 A N -0.698 121.770 122.820 -0.587 0.000 2.387 246 A HA 0.353 4.673 4.320 -0.001 0.000 0.234 246 A C 0.844 178.028 177.584 -0.668 0.000 1.253 246 A CA -0.154 51.425 52.037 -0.764 0.000 0.894 246 A CB -0.294 18.511 19.000 -0.325 0.000 0.963 246 A HN 0.284 nan 8.150 nan 0.000 0.508 247 K N 1.438 121.577 120.400 -0.436 0.000 2.473 247 K HA 0.133 4.452 4.320 -0.001 0.000 0.277 247 K C 1.005 177.448 176.600 -0.261 0.000 1.052 247 K CA 1.245 57.385 56.287 -0.244 0.000 1.114 247 K CB -0.176 32.269 32.500 -0.091 0.000 0.869 247 K HN 1.070 nan 8.250 nan 0.000 0.481 248 S N 2.663 118.295 115.700 -0.114 0.000 2.765 248 S HA -0.142 4.328 4.470 -0.001 0.000 0.266 248 S C 0.617 175.349 174.600 0.219 0.000 1.302 248 S CA 0.712 58.912 58.200 -0.000 0.000 1.274 248 S CB -2.185 61.012 63.200 -0.004 0.000 1.559 248 S HN 0.507 nan 8.310 nan 0.000 0.658 249 F N 1.163 121.094 119.950 -0.032 0.000 2.811 249 F HA 0.620 5.147 4.527 -0.001 0.000 0.301 249 F C 0.683 176.527 175.800 0.072 0.000 1.151 249 F CA -0.657 57.344 58.000 0.002 0.000 1.412 249 F CB -0.335 38.666 39.000 0.002 0.000 1.113 249 F HN 0.506 nan 8.300 nan 0.000 0.579 250 F N 0.494 120.459 119.950 0.025 0.000 2.596 250 F HA 0.518 5.045 4.527 -0.000 0.000 0.311 250 F C -2.770 172.895 175.800 -0.225 0.000 1.116 250 F CA -2.866 55.086 58.000 -0.080 0.000 0.957 250 F CB 1.586 40.540 39.000 -0.077 0.000 1.250 250 F HN -0.315 nan 8.300 nan 0.000 0.444 251 P HA 0.167 nan 4.420 nan 0.000 0.271 251 P C -0.327 176.735 177.300 -0.396 0.000 1.233 251 P CA 0.256 63.074 63.100 -0.470 0.000 0.764 251 P CB 0.596 31.996 31.700 -0.500 0.000 0.825 252 E N 1.696 121.703 120.200 -0.321 0.000 2.481 252 E HA -0.086 4.264 4.350 -0.001 0.000 0.195 252 E C 0.645 177.271 176.600 0.044 0.000 1.047 252 E CA 0.568 56.801 56.400 -0.277 0.000 0.867 252 E CB 0.140 29.748 29.700 -0.155 0.000 0.858 252 E HN 0.623 nan 8.360 nan 0.000 0.513 253 E N 0.820 121.011 120.200 -0.015 0.000 2.474 253 E HA 0.016 4.365 4.350 -0.001 0.000 0.195 253 E C 0.452 177.063 176.600 0.018 0.000 1.039 253 E CA -0.286 56.129 56.400 0.024 0.000 0.881 253 E CB 0.254 29.950 29.700 -0.007 0.000 0.970 253 E HN 0.077 nan 8.360 nan 0.000 0.486 254 N N 1.863 120.566 118.700 0.006 0.000 2.454 254 N HA -0.021 4.718 4.740 -0.001 0.000 0.260 254 N C -1.897 173.647 175.510 0.057 0.000 1.218 254 N CA -1.127 51.934 53.050 0.019 0.000 0.904 254 N CB 1.102 39.603 38.487 0.023 0.000 1.065 254 N HN -0.168 nan 8.380 nan 0.000 0.462 255 P HA -0.078 nan 4.420 nan 0.000 0.225 255 P C 0.374 177.554 177.300 -0.201 0.000 1.148 255 P CA 1.221 64.206 63.100 -0.192 0.000 0.779 255 P CB 0.084 31.584 31.700 -0.332 0.000 0.780 256 H N -3.641 115.535 119.070 0.177 0.000 2.563 256 H HA 0.072 4.627 4.556 -0.001 0.000 0.264 256 H C 0.323 175.728 175.328 0.128 0.000 0.957 256 H CA -0.124 56.006 56.048 0.137 0.000 1.173 256 H CB -0.446 29.395 29.762 0.132 0.000 1.420 256 H HN 0.172 nan 8.280 nan 0.000 0.551 257 Y N 2.789 123.187 120.300 0.163 0.000 2.436 257 Y HA 0.079 4.629 4.550 -0.001 0.000 0.336 257 Y C 1.434 177.290 175.900 -0.073 0.000 1.049 257 Y CA -0.703 57.444 58.100 0.079 0.000 1.294 257 Y CB 0.269 38.860 38.460 0.217 0.000 1.179 257 Y HN 0.105 nan 8.280 nan 0.000 0.520 258 I N 2.697 122.825 120.570 -0.738 0.000 4.057 258 I HA 0.616 4.786 4.170 -0.001 0.000 0.334 258 I C 0.806 176.432 176.117 -0.818 0.000 1.308 258 I CA 0.496 61.260 61.300 -0.894 0.000 1.125 258 I CB -0.017 37.156 38.000 -1.379 0.000 1.034 258 I HN 0.770 nan 8.210 nan 0.000 0.401 259 G N 1.218 109.154 108.800 -1.441 0.000 2.396 259 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.254 259 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.254 259 G C -0.531 173.838 174.900 -0.884 0.000 1.248 259 G CA -0.346 44.017 45.100 -1.228 0.000 1.033 259 G HN 0.153 nan 8.290 nan 0.000 0.502 260 T N 0.746 114.706 114.554 -0.990 0.000 2.851 260 T HA 0.508 4.857 4.350 -0.001 0.000 0.298 260 T C 0.537 175.165 174.700 -0.120 0.000 0.977 260 T CA 0.929 62.778 62.100 -0.418 0.000 1.126 260 T CB 1.321 70.025 68.868 -0.272 0.000 0.916 260 T HN 1.168 nan 8.240 nan 0.000 0.529 261 S N 3.329 118.997 115.700 -0.053 0.000 2.423 261 S HA 0.435 4.904 4.470 -0.001 0.000 0.317 261 S C -1.210 173.499 174.600 0.182 0.000 1.065 261 S CA -0.690 57.549 58.200 0.065 0.000 1.111 261 S CB 0.029 63.246 63.200 0.029 0.000 0.968 261 S HN 0.758 nan 8.310 nan 0.000 0.474 262 W N 5.594 126.918 121.300 0.041 0.000 1.067 262 W HA 0.413 5.073 4.660 -0.001 0.000 0.313 262 W C 0.565 177.153 176.519 0.114 0.000 0.868 262 W CA -0.387 56.994 57.345 0.061 0.000 1.561 262 W CB 0.018 29.494 29.460 0.027 0.000 1.608 262 W HN 1.091 nan 8.180 nan 0.000 0.485 263 G N 2.448 111.435 108.800 0.311 0.000 2.611 263 G HA2 -0.424 3.535 3.960 -0.001 0.000 0.301 263 G HA3 -0.424 3.535 3.960 -0.001 0.000 0.301 263 G C 1.050 176.034 174.900 0.139 0.000 1.233 263 G CA 1.097 46.314 45.100 0.195 0.000 0.993 263 G HN 0.593 nan 8.290 nan 0.000 0.553 264 E N 0.317 120.567 120.200 0.084 0.000 2.511 264 E HA 0.170 4.519 4.350 -0.001 0.000 0.196 264 E C 1.698 178.324 176.600 0.044 0.000 1.066 264 E CA 1.278 57.713 56.400 0.058 0.000 0.871 264 E CB -0.084 29.634 29.700 0.030 0.000 0.863 264 E HN 1.253 nan 8.360 nan 0.000 0.520 265 V N -1.727 118.209 119.914 0.036 0.000 3.006 265 V HA 0.295 4.415 4.120 -0.001 0.000 0.357 265 V C 0.252 176.461 176.094 0.193 0.000 1.377 265 V CA -0.816 61.506 62.300 0.038 0.000 1.198 265 V CB 0.128 31.875 31.823 -0.126 0.000 1.216 265 V HN 0.030 nan 8.190 nan 0.000 0.520 266 S N 0.542 116.378 115.700 0.226 0.000 2.589 266 S HA 0.464 4.933 4.470 -0.001 0.000 0.265 266 S C -0.108 174.703 174.600 0.351 0.000 1.342 266 S CA -0.075 58.301 58.200 0.293 0.000 1.005 266 S CB 0.296 63.630 63.200 0.224 0.000 0.909 266 S HN 0.474 nan 8.310 nan 0.000 0.555 267 Y N 1.761 122.132 120.300 0.118 0.000 2.511 267 Y HA 0.175 4.725 4.550 -0.001 0.000 0.347 267 Y C -1.911 174.063 175.900 0.123 0.000 1.257 267 Y CA -1.888 56.275 58.100 0.104 0.000 1.469 267 Y CB -0.794 37.707 38.460 0.070 0.000 1.353 267 Y HN 0.392 nan 8.280 nan 0.000 0.617 268 P HA 0.102 nan 4.420 nan 0.000 0.264 268 P C 0.677 178.124 177.300 0.245 0.000 1.193 268 P CA 1.781 64.974 63.100 0.156 0.000 0.763 268 P CB 0.356 32.098 31.700 0.070 0.000 0.810 269 G N 1.626 110.546 108.800 0.201 0.000 2.284 269 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.247 269 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.247 269 G C 1.040 176.188 174.900 0.412 0.000 1.012 269 G CA 0.288 45.541 45.100 0.255 0.000 0.618 269 G HN 0.391 nan 8.290 nan 0.000 0.521 270 V N 1.007 121.137 119.914 0.361 0.000 2.358 270 V HA -0.083 4.037 4.120 -0.001 0.000 0.246 270 V C 2.429 178.638 176.094 0.191 0.000 1.047 270 V CA 2.842 65.278 62.300 0.227 0.000 1.035 270 V CB -0.375 31.514 31.823 0.110 0.000 0.658 270 V HN 0.617 nan 8.190 nan 0.000 0.452 271 E N 0.313 120.623 120.200 0.184 0.000 2.085 271 E HA -0.266 4.083 4.350 -0.001 0.000 0.194 271 E C 2.288 178.982 176.600 0.157 0.000 0.994 271 E CA 1.513 58.005 56.400 0.154 0.000 0.801 271 E CB -0.026 29.757 29.700 0.139 0.000 0.743 271 E HN 0.569 nan 8.360 nan 0.000 0.453 272 K N -0.432 120.089 120.400 0.202 0.000 2.025 272 K HA -0.089 4.231 4.320 -0.001 0.000 0.207 272 K C 2.256 179.019 176.600 0.272 0.000 1.049 272 K CA 1.727 58.161 56.287 0.245 0.000 0.933 272 K CB -0.173 32.513 32.500 0.310 0.000 0.714 272 K HN 0.133 nan 8.250 nan 0.000 0.438 273 T N 1.598 116.375 114.554 0.372 0.000 2.720 273 T HA -0.146 4.204 4.350 -0.001 0.000 0.268 273 T C 1.820 176.555 174.700 0.059 0.000 1.037 273 T CA 1.258 63.537 62.100 0.297 0.000 1.144 273 T CB -0.055 69.050 68.868 0.396 0.000 0.864 273 T HN 0.103 nan 8.240 nan 0.000 0.444 274 M N 0.905 120.553 119.600 0.079 0.000 2.175 274 M HA 0.046 4.526 4.480 -0.001 0.000 0.264 274 M C 2.254 178.561 176.300 0.013 0.000 1.063 274 M CA 1.248 56.572 55.300 0.040 0.000 1.119 274 M CB -0.923 31.715 32.600 0.063 0.000 1.377 274 M HN 0.194 nan 8.290 nan 0.000 0.415 275 K N 0.270 120.683 120.400 0.021 0.000 2.148 275 K HA -0.149 4.170 4.320 -0.001 0.000 0.204 275 K C 1.593 178.153 176.600 -0.066 0.000 1.050 275 K CA 1.016 57.303 56.287 0.001 0.000 0.942 275 K CB 0.262 32.782 32.500 0.034 0.000 0.724 275 K HN 0.176 nan 8.250 nan 0.000 0.446 276 E N 0.330 120.429 120.200 -0.169 0.000 2.299 276 E HA 0.041 4.391 4.350 -0.001 0.000 0.193 276 E C 0.272 176.705 176.600 -0.279 0.000 0.998 276 E CA 0.173 56.369 56.400 -0.339 0.000 0.851 276 E CB -0.001 29.155 29.700 -0.907 0.000 0.795 276 E HN 0.286 nan 8.360 nan 0.000 0.492 277 A N 1.955 124.664 122.820 -0.185 0.000 2.561 277 A HA -0.062 4.258 4.320 -0.001 0.000 0.234 277 A C 0.718 178.262 177.584 -0.067 0.000 1.055 277 A CA 0.193 52.166 52.037 -0.106 0.000 0.756 277 A CB 0.235 19.214 19.000 -0.035 0.000 0.986 277 A HN -0.054 nan 8.150 nan 0.000 0.505 278 D N 0.630 120.998 120.400 -0.054 0.000 2.249 278 D HA 0.249 4.888 4.640 -0.001 0.000 0.205 278 D C 0.594 176.894 176.300 0.000 0.000 0.962 278 D CA 1.740 55.713 54.000 -0.045 0.000 0.860 278 D CB 0.127 40.887 40.800 -0.067 0.000 0.955 278 D HN 0.718 nan 8.370 nan 0.000 0.505 279 A N 0.309 123.161 122.820 0.052 0.000 2.488 279 A HA 0.529 4.849 4.320 -0.001 0.000 0.298 279 A C -1.153 176.519 177.584 0.146 0.000 1.044 279 A CA -0.567 51.572 52.037 0.169 0.000 0.693 279 A CB 1.914 21.051 19.000 0.229 0.000 1.272 279 A HN -0.100 nan 8.150 nan 0.000 0.402 280 V N 3.445 123.457 119.914 0.163 0.000 2.409 280 V HA 0.395 4.515 4.120 -0.001 0.000 0.291 280 V C -0.388 175.789 176.094 0.138 0.000 1.020 280 V CA -0.195 62.180 62.300 0.125 0.000 0.848 280 V CB 1.408 33.290 31.823 0.099 0.000 0.990 280 V HN 0.724 nan 8.190 nan 0.000 0.430 281 I N 4.652 125.308 120.570 0.144 0.000 2.306 281 I HA 0.532 4.702 4.170 -0.001 0.000 0.288 281 I C 0.621 176.806 176.117 0.113 0.000 1.036 281 I CA -0.268 61.116 61.300 0.139 0.000 1.221 281 I CB 1.273 39.391 38.000 0.198 0.000 1.385 281 I HN 0.660 nan 8.210 nan 0.000 0.472 282 A N 8.298 131.179 122.820 0.100 0.000 2.269 282 A HA 0.641 4.960 4.320 -0.001 0.000 0.302 282 A C -0.264 177.343 177.584 0.039 0.000 1.266 282 A CA -0.433 51.661 52.037 0.095 0.000 0.894 282 A CB 0.250 19.364 19.000 0.190 0.000 1.147 282 A HN 0.738 nan 8.150 nan 0.000 0.537 283 L N 2.810 124.045 121.223 0.020 0.000 2.272 283 L HA 0.480 4.819 4.340 -0.001 0.000 0.284 283 L C 1.026 177.881 176.870 -0.024 0.000 1.045 283 L CA -0.092 54.754 54.840 0.009 0.000 0.842 283 L CB 0.868 42.954 42.059 0.044 0.000 1.224 283 L HN 1.069 nan 8.230 nan 0.000 0.430 284 A N 3.701 126.492 122.820 -0.049 0.000 2.610 284 A HA -0.126 4.193 4.320 -0.001 0.000 0.299 284 A C -2.290 175.216 177.584 -0.131 0.000 1.487 284 A CA -0.248 51.745 52.037 -0.074 0.000 0.743 284 A CB -1.761 17.210 19.000 -0.047 0.000 1.070 284 A HN 0.483 nan 8.150 nan 0.000 0.439 285 P HA 0.527 nan 4.420 nan 0.000 0.279 285 P C -0.418 176.577 177.300 -0.508 0.000 1.252 285 P CA -0.327 62.488 63.100 -0.474 0.000 0.811 285 P CB 1.692 32.891 31.700 -0.836 0.000 1.035 286 V N 2.850 122.449 119.914 -0.525 0.000 2.376 286 V HA 0.267 4.387 4.120 -0.001 0.000 0.287 286 V C -0.448 175.427 176.094 -0.364 0.000 1.015 286 V CA -0.311 61.786 62.300 -0.338 0.000 0.834 286 V CB 0.302 32.018 31.823 -0.179 0.000 1.001 286 V HN 0.312 nan 8.190 nan 0.000 0.428 287 F N 5.602 125.578 119.950 0.043 0.000 2.335 287 F HA 0.486 5.012 4.527 -0.001 0.000 0.365 287 F C 0.636 176.506 175.800 0.118 0.000 1.122 287 F CA -0.755 57.294 58.000 0.082 0.000 1.151 287 F CB 0.474 39.556 39.000 0.137 0.000 1.282 287 F HN 0.681 nan 8.300 nan 0.000 0.513 288 N N 0.210 118.996 118.700 0.144 0.000 3.002 288 N HA 0.230 4.969 4.740 -0.001 0.000 0.331 288 N C 0.556 175.778 175.510 -0.479 0.000 1.384 288 N CA -0.729 52.322 53.050 0.001 0.000 0.780 288 N CB 0.273 38.765 38.487 0.009 0.000 1.492 288 N HN 0.250 nan 8.380 nan 0.000 0.608 289 D N -1.395 118.610 120.400 -0.659 0.000 2.219 289 D HA -0.190 4.450 4.640 -0.001 0.000 0.205 289 D C 0.977 177.138 176.300 -0.232 0.000 0.970 289 D CA 1.378 54.755 54.000 -1.039 0.000 0.851 289 D CB -0.393 40.066 40.800 -0.568 0.000 0.943 289 D HN 0.440 nan 8.370 nan 0.000 0.488 290 Y N 1.684 121.925 120.300 -0.099 0.000 2.243 290 Y HA -0.027 4.522 4.550 -0.001 0.000 0.293 290 Y C 2.910 179.086 175.900 0.459 0.000 1.124 290 Y CA 0.763 59.053 58.100 0.317 0.000 1.159 290 Y CB -0.758 37.956 38.460 0.424 0.000 1.008 290 Y HN 0.142 nan 8.280 nan 0.000 0.527 291 S N -1.235 114.660 115.700 0.324 0.000 2.489 291 S HA -0.070 4.400 4.470 -0.001 0.000 0.228 291 S C 1.502 176.289 174.600 0.312 0.000 0.995 291 S CA 1.017 59.339 58.200 0.202 0.000 0.934 291 S CB -0.906 62.271 63.200 -0.038 0.000 0.771 291 S HN 0.463 nan 8.310 nan 0.000 0.522 292 T N -1.801 112.884 114.554 0.218 0.000 3.145 292 T HA 0.237 4.586 4.350 -0.001 0.000 0.255 292 T C 0.329 175.133 174.700 0.174 0.000 1.039 292 T CA 0.302 62.521 62.100 0.199 0.000 0.928 292 T CB -0.777 68.167 68.868 0.127 0.000 1.029 292 T HN 0.304 nan 8.240 nan 0.000 0.554 293 T N 1.801 116.514 114.554 0.266 0.000 3.580 293 T HA -0.057 4.293 4.350 -0.001 0.000 0.402 293 T C 1.218 175.864 174.700 -0.090 0.000 0.765 293 T CA 0.778 62.952 62.100 0.123 0.000 2.064 293 T CB -2.237 66.708 68.868 0.128 0.000 1.724 293 T HN 1.738 nan 8.240 nan 0.000 0.719 294 G N 0.662 109.327 108.800 -0.226 0.000 2.273 294 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.280 294 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.280 294 G C 0.489 175.347 174.900 -0.070 0.000 1.047 294 G CA 0.683 45.625 45.100 -0.264 0.000 0.869 294 G HN 1.405 nan 8.290 nan 0.000 0.502 295 W N -3.043 118.305 121.300 0.081 0.000 3.160 295 W HA -0.328 4.331 4.660 -0.001 0.000 0.299 295 W C 1.905 178.449 176.519 0.042 0.000 1.141 295 W CA 1.386 58.768 57.345 0.061 0.000 0.612 295 W CB -2.303 27.180 29.460 0.037 0.000 2.186 295 W HN 1.003 nan 8.180 nan 0.000 1.364 296 T N -4.071 110.591 114.554 0.181 0.000 3.054 296 T HA 0.029 4.378 4.350 -0.001 0.000 0.259 296 T C 0.468 175.243 174.700 0.124 0.000 1.092 296 T CA 1.154 63.331 62.100 0.128 0.000 1.121 296 T CB 0.258 69.170 68.868 0.073 0.000 0.912 296 T HN 0.089 nan 8.240 nan 0.000 0.489 297 D N 0.704 121.193 120.400 0.147 0.000 2.434 297 D HA 0.409 5.049 4.640 -0.001 0.000 0.275 297 D C -1.018 175.359 176.300 0.128 0.000 1.172 297 D CA -0.675 53.407 54.000 0.138 0.000 0.916 297 D CB -0.111 40.791 40.800 0.170 0.000 1.041 297 D HN 0.400 nan 8.370 nan 0.000 0.501 298 I N 3.219 123.835 120.570 0.078 0.000 2.378 298 I HA 0.381 4.551 4.170 -0.001 0.000 0.291 298 I C -1.821 174.242 176.117 -0.091 0.000 0.992 298 I CA -2.128 59.163 61.300 -0.016 0.000 1.154 298 I CB 1.757 39.775 38.000 0.030 0.000 1.315 298 I HN 0.173 nan 8.210 nan 0.000 0.448 299 P HA 0.031 nan 4.420 nan 0.000 0.268 299 P C -0.644 176.592 177.300 -0.106 0.000 1.205 299 P CA -0.271 62.738 63.100 -0.151 0.000 0.771 299 P CB 0.387 31.946 31.700 -0.235 0.000 0.858 300 D N 3.816 124.193 120.400 -0.038 0.000 2.412 300 D HA -0.006 4.633 4.640 -0.001 0.000 0.257 300 D C -1.449 174.845 176.300 -0.010 0.000 1.217 300 D CA -1.602 52.389 54.000 -0.015 0.000 0.897 300 D CB 0.624 41.430 40.800 0.010 0.000 1.132 300 D HN 0.134 nan 8.370 nan 0.000 0.493 301 P HA -0.124 nan 4.420 nan 0.000 0.218 301 P C 0.737 178.053 177.300 0.028 0.000 1.148 301 P CA 1.217 64.308 63.100 -0.015 0.000 0.822 301 P CB 0.297 31.984 31.700 -0.022 0.000 0.784 302 K N -0.468 119.964 120.400 0.053 0.000 2.439 302 K HA -0.022 4.298 4.320 -0.001 0.000 0.197 302 K C 1.600 178.329 176.600 0.215 0.000 1.041 302 K CA 1.005 57.358 56.287 0.111 0.000 0.970 302 K CB -0.239 32.307 32.500 0.077 0.000 0.773 302 K HN 0.177 nan 8.250 nan 0.000 0.479 303 K N -0.245 120.259 120.400 0.174 0.000 2.355 303 K HA 0.148 4.468 4.320 -0.001 0.000 0.198 303 K C -0.335 176.419 176.600 0.256 0.000 1.039 303 K CA -0.278 56.158 56.287 0.248 0.000 1.075 303 K CB 0.403 32.977 32.500 0.124 0.000 0.870 303 K HN -0.039 nan 8.250 nan 0.000 0.540 304 L N 1.721 123.010 121.223 0.111 0.000 2.276 304 L HA 0.203 4.543 4.340 -0.001 0.000 0.286 304 L C -0.765 176.039 176.870 -0.109 0.000 1.061 304 L CA -0.343 54.513 54.840 0.027 0.000 0.807 304 L CB 1.355 43.416 42.059 0.003 0.000 1.177 304 L HN -0.261 nan 8.230 nan 0.000 0.429 305 V N 6.704 126.576 119.914 -0.071 0.000 2.328 305 V HA 0.293 4.413 4.120 -0.001 0.000 0.278 305 V C -0.293 175.776 176.094 -0.043 0.000 1.021 305 V CA -0.555 61.666 62.300 -0.132 0.000 0.838 305 V CB 1.295 33.084 31.823 -0.057 0.000 0.999 305 V HN 0.568 nan 8.190 nan 0.000 0.447 306 L N 5.869 127.053 121.223 -0.065 0.000 2.270 306 L HA 0.702 5.042 4.340 -0.001 0.000 0.286 306 L C 0.525 177.338 176.870 -0.094 0.000 1.059 306 L CA -0.059 54.766 54.840 -0.025 0.000 0.839 306 L CB 0.827 42.889 42.059 0.005 0.000 1.221 306 L HN 0.680 nan 8.230 nan 0.000 0.431 307 A N 5.248 128.006 122.820 -0.102 0.000 2.540 307 A HA 0.559 4.879 4.320 -0.001 0.000 0.340 307 A C 0.043 177.551 177.584 -0.126 0.000 1.424 307 A CA -0.658 51.256 52.037 -0.205 0.000 0.940 307 A CB -0.144 18.730 19.000 -0.210 0.000 1.149 307 A HN 0.627 nan 8.150 nan 0.000 0.505 308 E N 2.256 122.385 120.200 -0.118 0.000 2.342 308 E HA 0.185 4.535 4.350 -0.001 0.000 0.257 308 E C -1.657 174.891 176.600 -0.088 0.000 1.150 308 E CA -1.876 54.474 56.400 -0.084 0.000 0.926 308 E CB 0.267 29.928 29.700 -0.064 0.000 1.074 308 E HN 0.241 nan 8.360 nan 0.000 0.449 309 P HA -0.087 nan 4.420 nan 0.000 0.217 309 P C 0.596 177.829 177.300 -0.113 0.000 1.148 309 P CA 1.589 64.632 63.100 -0.095 0.000 0.828 309 P CB 0.277 31.910 31.700 -0.112 0.000 0.783 310 R N -1.684 118.757 120.500 -0.099 0.000 2.572 310 R HA 0.275 4.615 4.340 -0.001 0.000 0.370 310 R C -0.003 176.298 176.300 0.003 0.000 1.005 310 R CA 0.119 56.175 56.100 -0.072 0.000 1.146 310 R CB 0.702 30.922 30.300 -0.134 0.000 1.390 310 R HN 0.185 nan 8.270 nan 0.000 0.553 311 S N -1.381 114.297 115.700 -0.036 0.000 2.587 311 S HA 0.551 5.021 4.470 -0.001 0.000 0.269 311 S C -0.985 173.554 174.600 -0.101 0.000 1.154 311 S CA -0.795 57.389 58.200 -0.027 0.000 0.824 311 S CB 2.332 65.526 63.200 -0.010 0.000 1.118 311 S HN -0.141 nan 8.310 nan 0.000 0.462 312 V N 1.308 121.174 119.914 -0.080 0.000 2.638 312 V HA 0.623 4.743 4.120 -0.001 0.000 0.306 312 V C -0.863 175.231 176.094 0.000 0.000 1.052 312 V CA -0.672 61.530 62.300 -0.164 0.000 0.885 312 V CB 1.819 33.391 31.823 -0.418 0.000 0.999 312 V HN 0.864 nan 8.190 nan 0.000 0.424 313 V N 5.159 125.042 119.914 -0.051 0.000 2.357 313 V HA 0.673 4.793 4.120 -0.001 0.000 0.284 313 V C -0.364 175.687 176.094 -0.070 0.000 1.018 313 V CA -0.497 61.778 62.300 -0.041 0.000 0.841 313 V CB 1.633 33.419 31.823 -0.061 0.000 0.991 313 V HN 0.634 nan 8.190 nan 0.000 0.437 314 V N 5.166 125.064 119.914 -0.027 0.000 2.851 314 V HA 0.571 4.691 4.120 -0.001 0.000 0.307 314 V C 0.248 176.283 176.094 -0.099 0.000 1.129 314 V CA -0.386 61.834 62.300 -0.132 0.000 0.932 314 V CB 1.923 33.721 31.823 -0.042 0.000 1.024 314 V HN 0.941 nan 8.190 nan 0.000 0.426 315 N N 4.186 122.712 118.700 -0.290 0.000 2.725 315 N HA -0.158 4.581 4.740 -0.001 0.000 0.249 315 N C 0.858 176.375 175.510 0.012 0.000 1.103 315 N CA 2.020 55.052 53.050 -0.030 0.000 0.707 315 N CB -1.169 37.405 38.487 0.145 0.000 1.043 315 N HN 2.281 nan 8.380 nan 0.000 0.553 316 G N -1.286 107.485 108.800 -0.047 0.000 2.160 316 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.251 316 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.251 316 G C 0.060 174.912 174.900 -0.080 0.000 1.008 316 G CA 0.538 45.613 45.100 -0.042 0.000 0.724 316 G HN 0.564 nan 8.290 nan 0.000 0.514 317 I N -0.615 119.885 120.570 -0.117 0.000 2.545 317 I HA 0.481 4.650 4.170 -0.001 0.000 0.292 317 I C 0.327 176.203 176.117 -0.403 0.000 1.040 317 I CA -1.099 60.028 61.300 -0.289 0.000 1.068 317 I CB 2.069 39.849 38.000 -0.366 0.000 1.251 317 I HN 0.103 nan 8.210 nan 0.000 0.424 318 R N 5.215 125.445 120.500 -0.449 0.000 2.265 318 R HA 0.524 4.864 4.340 -0.001 0.000 0.319 318 R C -1.720 174.281 176.300 -0.498 0.000 1.006 318 R CA -0.307 55.591 56.100 -0.336 0.000 0.880 318 R CB 0.712 30.902 30.300 -0.183 0.000 1.077 318 R HN 0.421 nan 8.270 nan 0.000 0.454 319 F N 7.003 126.916 119.950 -0.062 0.000 2.443 319 F HA 0.364 4.891 4.527 -0.000 0.000 0.369 319 F C -1.819 173.952 175.800 -0.048 0.000 1.090 319 F CA -2.266 55.703 58.000 -0.051 0.000 1.129 319 F CB 1.321 40.286 39.000 -0.059 0.000 1.367 319 F HN 0.400 nan 8.300 nan 0.000 0.465 320 P HA 0.081 nan 4.420 nan 0.000 0.273 320 P C 0.166 177.523 177.300 0.095 0.000 1.250 320 P CA 0.081 63.220 63.100 0.065 0.000 0.793 320 P CB 1.088 32.806 31.700 0.031 0.000 1.011 321 S N -2.704 113.055 115.700 0.098 0.000 3.586 321 S HA -0.088 4.382 4.470 -0.001 0.000 0.309 321 S C 0.020 174.686 174.600 0.110 0.000 1.195 321 S CA 0.652 58.924 58.200 0.119 0.000 0.895 321 S CB -1.955 61.287 63.200 0.070 0.000 0.983 321 S HN 0.413 nan 8.310 nan 0.000 0.563 322 V N 2.513 122.511 119.914 0.140 0.000 2.349 322 V HA 0.303 4.423 4.120 -0.001 0.000 0.284 322 V C 0.373 176.579 176.094 0.186 0.000 1.014 322 V CA -0.635 61.722 62.300 0.094 0.000 0.826 322 V CB 0.929 32.762 31.823 0.018 0.000 1.009 322 V HN 0.498 nan 8.190 nan 0.000 0.431 323 H N 3.812 122.879 119.070 -0.004 0.000 2.683 323 H HA 0.116 4.671 4.556 -0.001 0.000 0.339 323 H C 0.871 176.207 175.328 0.013 0.000 1.081 323 H CA -0.808 55.236 56.048 -0.006 0.000 1.432 323 H CB 1.959 31.721 29.762 -0.001 0.000 1.462 323 H HN 0.515 nan 8.280 nan 0.000 0.557 324 L N 3.989 125.271 121.223 0.099 0.000 2.079 324 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 324 L C 2.344 179.284 176.870 0.118 0.000 1.081 324 L CA 1.807 56.697 54.840 0.083 0.000 0.752 324 L CB -0.550 41.520 42.059 0.018 0.000 0.896 324 L HN 0.606 nan 8.230 nan 0.000 0.433 325 K N -0.882 119.573 120.400 0.091 0.000 2.057 325 K HA -0.192 4.127 4.320 -0.001 0.000 0.207 325 K C 1.663 178.300 176.600 0.062 0.000 1.049 325 K CA 1.815 58.141 56.287 0.066 0.000 0.931 325 K CB -0.157 32.375 32.500 0.053 0.000 0.714 325 K HN 0.393 nan 8.250 nan 0.000 0.440 326 D N -0.279 120.170 120.400 0.082 0.000 2.117 326 D HA -0.173 4.466 4.640 -0.001 0.000 0.198 326 D C 1.768 178.095 176.300 0.046 0.000 0.982 326 D CA 0.953 54.980 54.000 0.045 0.000 0.828 326 D CB -0.455 40.358 40.800 0.022 0.000 0.967 326 D HN 0.293 nan 8.370 nan 0.000 0.464 327 Y N 1.741 122.009 120.300 -0.053 0.000 2.097 327 Y HA -0.179 4.371 4.550 -0.000 0.000 0.282 327 Y C 2.220 178.042 175.900 -0.131 0.000 1.152 327 Y CA 1.391 59.432 58.100 -0.098 0.000 1.136 327 Y CB -0.495 37.900 38.460 -0.107 0.000 0.975 327 Y HN -0.117 nan 8.280 nan 0.000 0.498 328 L N -0.870 120.267 121.223 -0.143 0.000 2.046 328 L HA -0.241 4.099 4.340 -0.001 0.000 0.208 328 L C 2.366 179.158 176.870 -0.130 0.000 1.077 328 L CA 1.858 56.543 54.840 -0.258 0.000 0.747 328 L CB -0.907 41.115 42.059 -0.062 0.000 0.896 328 L HN 0.238 nan 8.230 nan 0.000 0.432 329 T N -1.010 113.510 114.554 -0.057 0.000 2.737 329 T HA -0.219 4.131 4.350 -0.001 0.000 0.265 329 T C 2.016 176.689 174.700 -0.045 0.000 1.038 329 T CA 1.418 63.505 62.100 -0.022 0.000 1.144 329 T CB -0.165 68.698 68.868 -0.008 0.000 0.866 329 T HN 0.141 nan 8.240 nan 0.000 0.434 330 R N 0.657 121.108 120.500 -0.081 0.000 2.096 330 R HA 0.033 4.372 4.340 -0.001 0.000 0.235 330 R C 2.154 178.385 176.300 -0.114 0.000 1.127 330 R CA 1.013 57.061 56.100 -0.086 0.000 0.968 330 R CB -0.838 29.412 30.300 -0.084 0.000 0.861 330 R HN 0.261 nan 8.270 nan 0.000 0.440 331 L N 0.059 121.152 121.223 -0.216 0.000 2.056 331 L HA 0.097 4.437 4.340 -0.001 0.000 0.207 331 L C 2.054 178.946 176.870 0.038 0.000 1.078 331 L CA 2.046 56.774 54.840 -0.186 0.000 0.749 331 L CB -0.836 40.916 42.059 -0.511 0.000 0.901 331 L HN 0.278 nan 8.230 nan 0.000 0.433 332 A N -0.822 122.061 122.820 0.104 0.000 2.125 332 A HA -0.232 4.088 4.320 -0.001 0.000 0.219 332 A C 2.094 179.706 177.584 0.046 0.000 1.156 332 A CA 1.563 53.684 52.037 0.140 0.000 0.671 332 A CB -0.625 18.453 19.000 0.130 0.000 0.794 332 A HN 0.748 nan 8.150 nan 0.000 0.459 333 Q N -1.320 118.491 119.800 0.018 0.000 2.319 333 Q HA 0.136 4.476 4.340 -0.001 0.000 0.202 333 Q C 0.940 176.939 176.000 -0.001 0.000 0.896 333 Q CA 0.579 56.384 55.803 0.003 0.000 0.942 333 Q CB 0.122 28.857 28.738 -0.005 0.000 1.083 333 Q HN 0.562 nan 8.270 nan 0.000 0.510 334 K N 0.028 120.429 120.400 0.001 0.000 2.464 334 K HA 0.232 4.552 4.320 -0.001 0.000 0.206 334 K C 0.157 176.765 176.600 0.014 0.000 1.186 334 K CA -0.059 56.229 56.287 0.001 0.000 0.990 334 K CB 1.734 34.227 32.500 -0.011 0.000 1.003 334 K HN -0.000 nan 8.250 nan 0.000 0.562 335 V N 2.805 122.739 119.914 0.032 0.000 2.775 335 V HA 0.100 4.219 4.120 -0.001 0.000 0.299 335 V C 0.116 176.214 176.094 0.006 0.000 1.062 335 V CA -0.092 62.233 62.300 0.043 0.000 1.063 335 V CB 1.432 33.318 31.823 0.105 0.000 0.994 335 V HN 0.403 nan 8.190 nan 0.000 0.483 336 S N 5.051 120.752 115.700 0.003 0.000 2.722 336 S HA 0.607 5.077 4.470 -0.001 0.000 0.292 336 S C -0.457 174.125 174.600 -0.030 0.000 1.135 336 S CA -0.901 57.292 58.200 -0.011 0.000 1.003 336 S CB 1.176 64.376 63.200 -0.001 0.000 1.067 336 S HN 0.613 nan 8.310 nan 0.000 0.546 337 K N 1.550 121.932 120.400 -0.030 0.000 2.472 337 K HA 0.156 4.476 4.320 -0.001 0.000 0.280 337 K C -0.413 176.170 176.600 -0.027 0.000 1.028 337 K CA 0.603 56.867 56.287 -0.038 0.000 1.045 337 K CB 0.130 32.620 32.500 -0.017 0.000 0.902 337 K HN 0.400 nan 8.250 nan 0.000 0.478 338 K N 2.989 123.364 120.400 -0.043 0.000 2.687 338 K HA 0.085 4.405 4.320 -0.001 0.000 0.197 338 K C 0.133 176.725 176.600 -0.012 0.000 1.049 338 K CA -0.153 56.122 56.287 -0.019 0.000 1.030 338 K CB 0.987 33.480 32.500 -0.013 0.000 1.261 338 K HN 0.725 nan 8.250 nan 0.000 0.565 339 T N -2.887 111.675 114.554 0.013 0.000 3.113 339 T HA -0.023 4.326 4.350 -0.001 0.000 0.256 339 T C 1.871 176.613 174.700 0.071 0.000 1.131 339 T CA 0.710 62.836 62.100 0.043 0.000 1.074 339 T CB 0.118 69.021 68.868 0.059 0.000 0.944 339 T HN 0.420 nan 8.240 nan 0.000 0.516 340 G N 2.029 110.864 108.800 0.057 0.000 2.624 340 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.221 340 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.221 340 G C 1.812 176.785 174.900 0.122 0.000 1.169 340 G CA 1.120 46.266 45.100 0.076 0.000 0.771 340 G HN 0.764 nan 8.290 nan 0.000 0.598 341 A N -0.231 122.647 122.820 0.097 0.000 1.929 341 A HA 0.244 4.563 4.320 -0.001 0.000 0.216 341 A C 2.351 180.076 177.584 0.236 0.000 1.176 341 A CA 1.587 53.703 52.037 0.132 0.000 0.628 341 A CB -0.335 18.698 19.000 0.054 0.000 0.816 341 A HN 0.455 nan 8.150 nan 0.000 0.444 342 L N 0.142 121.473 121.223 0.179 0.000 2.093 342 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 342 L C 1.548 178.576 176.870 0.265 0.000 1.085 342 L CA 2.279 57.251 54.840 0.220 0.000 0.755 342 L CB -0.595 41.568 42.059 0.173 0.000 0.904 342 L HN 0.320 nan 8.230 nan 0.000 0.435 343 D N -0.920 119.603 120.400 0.206 0.000 2.097 343 D HA -0.245 4.394 4.640 -0.001 0.000 0.195 343 D C 2.043 178.451 176.300 0.179 0.000 0.989 343 D CA 1.568 55.666 54.000 0.164 0.000 0.827 343 D CB -0.387 40.489 40.800 0.127 0.000 0.966 343 D HN 0.406 nan 8.370 nan 0.000 0.456 344 F N 0.842 120.848 119.950 0.094 0.000 2.126 344 F HA -0.246 4.281 4.527 -0.001 0.000 0.299 344 F C 2.144 178.004 175.800 0.102 0.000 1.096 344 F CA 1.159 59.208 58.000 0.082 0.000 1.255 344 F CB -0.364 38.686 39.000 0.083 0.000 0.997 344 F HN -0.107 nan 8.300 nan 0.000 0.479 345 F N 1.499 121.561 119.950 0.186 0.000 2.069 345 F HA -0.202 4.324 4.527 -0.001 0.000 0.298 345 F C 2.272 178.046 175.800 -0.043 0.000 1.113 345 F CA 2.188 60.233 58.000 0.074 0.000 1.214 345 F CB -0.707 38.365 39.000 0.119 0.000 0.978 345 F HN -0.132 nan 8.300 nan 0.000 0.474 346 K N 0.059 120.418 120.400 -0.068 0.000 2.063 346 K HA -0.181 4.139 4.320 -0.001 0.000 0.208 346 K C 2.271 178.730 176.600 -0.235 0.000 1.048 346 K CA 1.721 57.904 56.287 -0.172 0.000 0.928 346 K CB -0.529 31.981 32.500 0.016 0.000 0.713 346 K HN 0.425 nan 8.250 nan 0.000 0.442 347 S N 0.872 116.446 115.700 -0.210 0.000 2.507 347 S HA -0.035 4.435 4.470 -0.001 0.000 0.235 347 S C 1.776 176.189 174.600 -0.312 0.000 0.988 347 S CA 0.606 58.671 58.200 -0.225 0.000 0.944 347 S CB -0.317 62.767 63.200 -0.194 0.000 0.762 347 S HN 0.209 nan 8.310 nan 0.000 0.526 348 L N 0.587 121.557 121.223 -0.421 0.000 2.313 348 L HA 0.087 4.427 4.340 -0.001 0.000 0.214 348 L C 0.470 177.169 176.870 -0.285 0.000 1.119 348 L CA 0.168 54.774 54.840 -0.390 0.000 0.809 348 L CB -0.790 41.012 42.059 -0.428 0.000 0.933 348 L HN 0.257 nan 8.230 nan 0.000 0.449 349 N N -0.069 118.455 118.700 -0.293 0.000 2.716 349 N HA -0.235 4.505 4.740 -0.001 0.000 0.250 349 N C 0.871 176.265 175.510 -0.194 0.000 1.033 349 N CA 0.849 53.770 53.050 -0.215 0.000 0.727 349 N CB -0.773 37.627 38.487 -0.144 0.000 0.950 349 N HN 0.427 nan 8.380 nan 0.000 0.541 350 A N -0.467 122.198 122.820 -0.258 0.000 2.167 350 A HA 0.437 4.757 4.320 -0.001 0.000 0.214 350 A C 1.491 179.012 177.584 -0.106 0.000 1.151 350 A CA 1.496 53.433 52.037 -0.167 0.000 0.735 350 A CB -0.179 18.721 19.000 -0.167 0.000 0.802 350 A HN 1.324 nan 8.150 nan 0.000 0.467 351 G N -0.964 107.765 108.800 -0.119 0.000 2.760 351 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.246 351 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.246 351 G C -0.375 174.521 174.900 -0.007 0.000 1.359 351 G CA -0.003 45.063 45.100 -0.056 0.000 0.861 351 G HN 0.580 nan 8.290 nan 0.000 0.541 352 E N -1.487 118.716 120.200 0.006 0.000 2.322 352 E HA 0.605 4.955 4.350 -0.001 0.000 0.257 352 E C 0.547 177.129 176.600 -0.031 0.000 1.155 352 E CA -0.774 55.640 56.400 0.024 0.000 0.936 352 E CB 0.842 30.557 29.700 0.024 0.000 1.130 352 E HN 0.810 nan 8.360 nan 0.000 0.465 353 L N 2.387 123.549 121.223 -0.101 0.000 2.477 353 L HA 0.064 4.404 4.340 -0.001 0.000 0.272 353 L C -0.055 176.747 176.870 -0.112 0.000 1.157 353 L CA 0.647 55.364 54.840 -0.204 0.000 0.889 353 L CB 0.107 41.885 42.059 -0.469 0.000 1.158 353 L HN 0.332 nan 8.230 nan 0.000 0.473 354 K N 6.047 126.397 120.400 -0.083 0.000 2.382 354 K HA 0.092 4.412 4.320 -0.001 0.000 0.286 354 K C -0.666 175.905 176.600 -0.049 0.000 1.062 354 K CA 0.127 56.383 56.287 -0.052 0.000 1.000 354 K CB 0.178 32.654 32.500 -0.039 0.000 0.954 354 K HN 0.622 nan 8.250 nan 0.000 0.470 355 K N 2.153 122.532 120.400 -0.035 0.000 2.208 355 K HA 0.403 4.723 4.320 -0.001 0.000 0.247 355 K C -0.578 176.012 176.600 -0.015 0.000 0.953 355 K CA -0.915 55.357 56.287 -0.025 0.000 0.837 355 K CB 1.868 34.357 32.500 -0.019 0.000 1.131 355 K HN 0.638 nan 8.250 nan 0.000 0.431 356 A N 1.240 124.053 122.820 -0.011 0.000 2.332 356 A HA 0.579 4.898 4.320 -0.001 0.000 0.258 356 A C -0.231 177.350 177.584 -0.005 0.000 1.087 356 A CA -0.258 51.774 52.037 -0.008 0.000 0.802 356 A CB 0.421 19.418 19.000 -0.006 0.000 1.042 356 A HN 0.760 nan 8.150 nan 0.000 0.489 357 A N 1.609 124.427 122.820 -0.003 0.000 2.264 357 A HA 0.694 5.013 4.320 -0.001 0.000 0.304 357 A C -2.376 175.209 177.584 0.001 0.000 1.100 357 A CA -1.703 50.334 52.037 -0.000 0.000 0.839 357 A CB -0.547 18.452 19.000 -0.000 0.000 1.121 357 A HN 0.644 nan 8.150 nan 0.000 0.496 358 P HA 0.165 nan 4.420 nan 0.000 0.255 358 P C -0.079 177.224 177.300 0.006 0.000 1.161 358 P CA 0.784 63.887 63.100 0.005 0.000 0.768 358 P CB 0.105 31.810 31.700 0.007 0.000 0.746 359 A N 3.380 126.204 122.820 0.007 0.000 2.346 359 A HA 0.174 4.494 4.320 -0.001 0.000 0.252 359 A C 0.398 177.988 177.584 0.009 0.000 1.089 359 A CA -0.381 51.661 52.037 0.008 0.000 0.797 359 A CB 0.020 19.026 19.000 0.010 0.000 1.047 359 A HN 0.500 nan 8.150 nan 0.000 0.494 360 D N 0.922 121.327 120.400 0.008 0.000 2.451 360 D HA 0.160 4.800 4.640 -0.001 0.000 0.254 360 D C -1.559 174.747 176.300 0.011 0.000 1.204 360 D CA -1.224 52.781 54.000 0.008 0.000 0.896 360 D CB 0.710 41.514 40.800 0.006 0.000 1.136 360 D HN 0.104 nan 8.370 nan 0.000 0.499 361 P HA -0.158 nan 4.420 nan 0.000 0.217 361 P C 0.873 178.181 177.300 0.015 0.000 1.148 361 P CA 1.303 64.412 63.100 0.016 0.000 0.828 361 P CB 0.075 31.784 31.700 0.015 0.000 0.783 362 S N -2.341 113.365 115.700 0.010 0.000 2.575 362 S HA 0.367 4.837 4.470 -0.001 0.000 0.215 362 S C 1.012 175.615 174.600 0.006 0.000 0.966 362 S CA -0.228 57.976 58.200 0.007 0.000 0.911 362 S CB -0.587 62.615 63.200 0.003 0.000 0.780 362 S HN 0.104 nan 8.310 nan 0.000 0.514 363 A N 2.844 125.669 122.820 0.008 0.000 2.407 363 A HA 0.580 4.899 4.320 -0.001 0.000 0.248 363 A C -2.513 175.078 177.584 0.013 0.000 1.082 363 A CA -1.567 50.474 52.037 0.008 0.000 0.785 363 A CB -0.483 18.523 19.000 0.009 0.000 1.020 363 A HN 0.229 nan 8.150 nan 0.000 0.489 364 P HA 0.075 nan 4.420 nan 0.000 0.264 364 P C -0.302 177.017 177.300 0.031 0.000 1.183 364 P CA -0.070 63.041 63.100 0.019 0.000 0.763 364 P CB 0.213 31.923 31.700 0.016 0.000 0.807 365 L N 5.677 126.928 121.223 0.047 0.000 2.499 365 L HA 0.189 4.529 4.340 -0.001 0.000 0.273 365 L C -0.092 176.810 176.870 0.053 0.000 1.195 365 L CA 0.306 55.180 54.840 0.057 0.000 0.882 365 L CB 0.124 42.236 42.059 0.089 0.000 1.133 365 L HN 0.223 nan 8.230 nan 0.000 0.483 366 V N 2.112 122.049 119.914 0.038 0.000 3.046 366 V HA 0.544 4.664 4.120 -0.001 0.000 0.316 366 V C 0.780 176.888 176.094 0.024 0.000 1.104 366 V CA -0.525 61.793 62.300 0.031 0.000 1.006 366 V CB 1.547 33.383 31.823 0.020 0.000 1.058 366 V HN 0.793 nan 8.190 nan 0.000 0.440 367 N N 1.921 120.633 118.700 0.020 0.000 2.069 367 N HA -0.152 4.587 4.740 -0.001 0.000 0.191 367 N C 1.685 177.198 175.510 0.005 0.000 1.031 367 N CA 2.566 55.625 53.050 0.014 0.000 0.852 367 N CB -0.291 38.206 38.487 0.017 0.000 1.018 367 N HN 1.007 nan 8.380 nan 0.000 0.423 368 A N -0.032 122.791 122.820 0.005 0.000 1.940 368 A HA -0.164 4.155 4.320 -0.001 0.000 0.219 368 A C 2.151 179.730 177.584 -0.007 0.000 1.176 368 A CA 1.915 53.952 52.037 0.000 0.000 0.631 368 A CB -0.800 18.200 19.000 0.000 0.000 0.814 368 A HN 0.514 nan 8.150 nan 0.000 0.446 369 E N 0.371 120.569 120.200 -0.003 0.000 2.106 369 E HA -0.106 4.243 4.350 -0.001 0.000 0.192 369 E C 1.690 178.276 176.600 -0.022 0.000 0.984 369 E CA 1.273 57.670 56.400 -0.005 0.000 0.806 369 E CB -0.397 29.308 29.700 0.009 0.000 0.750 369 E HN 0.649 nan 8.360 nan 0.000 0.458 370 I N 0.485 121.038 120.570 -0.028 0.000 2.142 370 I HA -0.288 3.882 4.170 -0.001 0.000 0.240 370 I C 2.426 178.462 176.117 -0.134 0.000 1.078 370 I CA 1.179 62.433 61.300 -0.077 0.000 1.343 370 I CB -0.569 37.395 38.000 -0.060 0.000 1.046 370 I HN 0.200 nan 8.210 nan 0.000 0.405 371 A N 0.738 123.508 122.820 -0.083 0.000 1.940 371 A HA -0.265 4.055 4.320 -0.001 0.000 0.219 371 A C 2.466 180.006 177.584 -0.073 0.000 1.176 371 A CA 1.900 53.892 52.037 -0.076 0.000 0.631 371 A CB -0.717 18.272 19.000 -0.019 0.000 0.814 371 A HN 0.373 nan 8.150 nan 0.000 0.446 372 R N -0.516 119.954 120.500 -0.050 0.000 2.070 372 R HA -0.171 4.169 4.340 -0.001 0.000 0.233 372 R C 2.381 178.653 176.300 -0.048 0.000 1.137 372 R CA 1.857 57.936 56.100 -0.034 0.000 0.945 372 R CB -0.336 29.953 30.300 -0.018 0.000 0.845 372 R HN 0.698 nan 8.270 nan 0.000 0.430 373 Q N -0.257 119.504 119.800 -0.065 0.000 2.119 373 Q HA -0.107 4.233 4.340 -0.001 0.000 0.201 373 Q C 2.211 178.147 176.000 -0.107 0.000 0.972 373 Q CA 1.539 57.307 55.803 -0.059 0.000 0.847 373 Q CB 0.071 28.788 28.738 -0.036 0.000 0.903 373 Q HN 0.231 nan 8.270 nan 0.000 0.433 374 V N 1.395 121.167 119.914 -0.236 0.000 2.343 374 V HA -0.272 3.848 4.120 -0.001 0.000 0.247 374 V C 2.221 178.242 176.094 -0.121 0.000 1.051 374 V CA 2.109 64.224 62.300 -0.308 0.000 1.036 374 V CB -0.560 30.959 31.823 -0.507 0.000 0.654 374 V HN 0.430 nan 8.190 nan 0.000 0.451 375 E N 0.404 120.554 120.200 -0.084 0.000 2.160 375 E HA -0.218 4.131 4.350 -0.001 0.000 0.195 375 E C 2.049 178.644 176.600 -0.009 0.000 0.991 375 E CA 1.297 57.680 56.400 -0.029 0.000 0.810 375 E CB -0.208 29.486 29.700 -0.010 0.000 0.742 375 E HN 0.586 nan 8.360 nan 0.000 0.466 376 A N 0.428 123.241 122.820 -0.011 0.000 2.209 376 A HA 0.004 4.324 4.320 -0.001 0.000 0.212 376 A C 1.923 179.518 177.584 0.019 0.000 1.158 376 A CA 0.353 52.394 52.037 0.007 0.000 0.742 376 A CB -0.184 18.821 19.000 0.008 0.000 0.790 376 A HN 0.328 nan 8.150 nan 0.000 0.472 377 L N -0.275 120.961 121.223 0.021 0.000 2.509 377 L HA 0.184 4.523 4.340 -0.001 0.000 0.222 377 L C 0.031 176.926 176.870 0.042 0.000 1.123 377 L CA -0.132 54.737 54.840 0.048 0.000 0.856 377 L CB -0.056 42.056 42.059 0.088 0.000 0.985 377 L HN 0.299 nan 8.230 nan 0.000 0.456 378 L N 0.899 122.137 121.223 0.026 0.000 2.418 378 L HA 0.110 4.449 4.340 -0.001 0.000 0.274 378 L C 0.585 177.468 176.870 0.022 0.000 1.135 378 L CA 0.155 55.008 54.840 0.022 0.000 0.870 378 L CB 0.372 42.439 42.059 0.014 0.000 1.154 378 L HN 0.167 nan 8.230 nan 0.000 0.462 379 T N -0.204 114.364 114.554 0.023 0.000 2.907 379 T HA 0.439 4.788 4.350 -0.001 0.000 0.290 379 T C -2.272 172.435 174.700 0.013 0.000 1.066 379 T CA -2.014 60.097 62.100 0.018 0.000 1.012 379 T CB 2.143 71.024 68.868 0.022 0.000 1.184 379 T HN 0.189 nan 8.240 nan 0.000 0.522 380 P HA 0.058 nan 4.420 nan 0.000 0.231 380 P C 0.650 177.955 177.300 0.007 0.000 1.158 380 P CA 0.737 63.838 63.100 0.001 0.000 0.763 380 P CB -0.041 31.657 31.700 -0.004 0.000 0.805 381 N N -1.679 117.030 118.700 0.015 0.000 2.214 381 N HA 0.037 4.776 4.740 -0.001 0.000 0.214 381 N C -0.429 175.103 175.510 0.038 0.000 1.132 381 N CA 0.155 53.219 53.050 0.023 0.000 0.856 381 N CB 0.046 38.545 38.487 0.021 0.000 1.020 381 N HN -0.127 nan 8.380 nan 0.000 0.509 382 T N -0.416 114.158 114.554 0.034 0.000 2.902 382 T HA 0.439 4.788 4.350 -0.001 0.000 0.283 382 T C -0.470 174.250 174.700 0.033 0.000 1.009 382 T CA -0.222 61.902 62.100 0.039 0.000 1.051 382 T CB 1.649 70.536 68.868 0.032 0.000 0.999 382 T HN -0.092 nan 8.240 nan 0.000 0.474 383 T N 2.167 116.738 114.554 0.028 0.000 2.841 383 T HA 0.483 4.832 4.350 -0.001 0.000 0.285 383 T C -0.490 174.154 174.700 -0.093 0.000 0.991 383 T CA -0.515 61.554 62.100 -0.051 0.000 0.966 383 T CB 1.183 69.986 68.868 -0.108 0.000 0.962 383 T HN 0.326 nan 8.240 nan 0.000 0.438 384 V N 5.141 124.986 119.914 -0.115 0.000 2.350 384 V HA 0.386 4.506 4.120 -0.001 0.000 0.276 384 V C -0.040 175.958 176.094 -0.160 0.000 1.028 384 V CA -0.924 61.316 62.300 -0.100 0.000 0.860 384 V CB 0.976 32.751 31.823 -0.079 0.000 0.990 384 V HN 0.725 nan 8.190 nan 0.000 0.453 385 I N 4.543 125.033 120.570 -0.134 0.000 2.312 385 I HA 0.489 4.658 4.170 -0.001 0.000 0.291 385 I C 0.591 176.724 176.117 0.026 0.000 1.031 385 I CA -0.068 61.171 61.300 -0.102 0.000 1.293 385 I CB 1.037 38.910 38.000 -0.211 0.000 1.403 385 I HN 0.669 nan 8.210 nan 0.000 0.484 386 A N 5.867 128.765 122.820 0.129 0.000 2.267 386 A HA 0.501 4.820 4.320 -0.001 0.000 0.315 386 A C 0.053 177.960 177.584 0.537 0.000 1.297 386 A CA -0.584 51.604 52.037 0.252 0.000 0.865 386 A CB 0.624 19.714 19.000 0.150 0.000 1.165 386 A HN 0.661 nan 8.150 nan 0.000 0.513 387 E N 1.805 122.243 120.200 0.398 0.000 2.390 387 E HA 0.318 4.667 4.350 -0.001 0.000 0.261 387 E C 0.154 176.846 176.600 0.153 0.000 1.076 387 E CA 0.207 56.832 56.400 0.375 0.000 0.905 387 E CB 0.489 30.311 29.700 0.202 0.000 0.984 387 E HN 0.557 nan 8.360 nan 0.000 0.427 388 T N 2.750 117.272 114.554 -0.053 0.000 2.905 388 T HA 0.465 4.814 4.350 -0.001 0.000 0.299 388 T C 0.277 174.596 174.700 -0.634 0.000 1.024 388 T CA 0.920 62.487 62.100 -0.888 0.000 1.151 388 T CB -0.070 68.486 68.868 -0.519 0.000 0.987 388 T HN 0.742 nan 8.240 nan 0.000 0.535 389 G N 2.999 111.320 108.800 -0.799 0.000 2.315 389 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.296 389 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.296 389 G C 0.203 175.069 174.900 -0.056 0.000 1.289 389 G CA -0.094 44.838 45.100 -0.280 0.000 0.996 389 G HN 0.530 nan 8.290 nan 0.000 0.487 390 D N -0.182 120.267 120.400 0.080 0.000 2.309 390 D HA 0.023 4.663 4.640 -0.001 0.000 0.212 390 D C 2.444 178.900 176.300 0.260 0.000 0.968 390 D CA 1.804 55.939 54.000 0.224 0.000 0.882 390 D CB -0.031 40.839 40.800 0.117 0.000 0.918 390 D HN 0.275 nan 8.370 nan 0.000 0.503 391 S N -0.451 115.349 115.700 0.166 0.000 2.419 391 S HA -0.137 4.333 4.470 -0.001 0.000 0.233 391 S C 1.397 176.202 174.600 0.341 0.000 1.016 391 S CA 0.421 58.742 58.200 0.202 0.000 0.974 391 S CB -0.237 63.061 63.200 0.162 0.000 0.786 391 S HN 0.449 nan 8.310 nan 0.000 0.492 392 W N 1.379 122.733 121.300 0.090 0.000 2.317 392 W HA -0.095 4.564 4.660 -0.001 0.000 0.318 392 W C 1.815 178.263 176.519 -0.118 0.000 1.227 392 W CA 0.599 57.897 57.345 -0.080 0.000 1.269 392 W CB -1.387 27.753 29.460 -0.533 0.000 1.155 392 W HN 0.344 nan 8.180 nan 0.000 0.484 393 F N 0.096 120.237 119.950 0.320 0.000 2.234 393 F HA -0.137 4.389 4.527 -0.001 0.000 0.296 393 F C 2.220 178.125 175.800 0.175 0.000 1.089 393 F CA 1.174 59.299 58.000 0.209 0.000 1.343 393 F CB -1.159 37.888 39.000 0.079 0.000 1.040 393 F HN -0.174 nan 8.300 nan 0.000 0.498 394 N N 0.697 119.581 118.700 0.305 0.000 2.084 394 N HA -0.163 4.577 4.740 -0.001 0.000 0.190 394 N C 2.078 177.684 175.510 0.161 0.000 1.030 394 N CA 1.505 54.666 53.050 0.184 0.000 0.849 394 N CB -0.715 37.843 38.487 0.119 0.000 1.012 394 N HN 0.282 nan 8.380 nan 0.000 0.423 395 A N 0.824 123.753 122.820 0.181 0.000 1.902 395 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 395 A C 2.203 179.887 177.584 0.167 0.000 1.181 395 A CA 1.504 53.620 52.037 0.131 0.000 0.623 395 A CB -0.661 18.396 19.000 0.094 0.000 0.818 395 A HN 0.242 nan 8.150 nan 0.000 0.443 396 Q N 0.009 119.960 119.800 0.252 0.000 2.234 396 Q HA -0.102 4.238 4.340 -0.001 0.000 0.206 396 Q C 1.868 178.065 176.000 0.329 0.000 0.980 396 Q CA 1.650 57.609 55.803 0.260 0.000 0.869 396 Q CB -0.274 28.621 28.738 0.262 0.000 0.912 396 Q HN 0.677 nan 8.270 nan 0.000 0.436 397 R N -1.127 119.541 120.500 0.279 0.000 2.310 397 R HA 0.194 4.533 4.340 -0.001 0.000 0.202 397 R C -0.007 176.409 176.300 0.193 0.000 0.933 397 R CA -0.030 56.212 56.100 0.237 0.000 1.054 397 R CB 0.149 30.526 30.300 0.129 0.000 0.985 397 R HN 0.268 nan 8.270 nan 0.000 0.489 398 M N 1.239 120.945 119.600 0.175 0.000 2.180 398 M HA 0.148 4.628 4.480 -0.001 0.000 0.358 398 M C -0.035 176.356 176.300 0.151 0.000 1.233 398 M CA -0.493 54.878 55.300 0.119 0.000 1.114 398 M CB 1.303 33.940 32.600 0.062 0.000 1.594 398 M HN -0.326 nan 8.290 nan 0.000 0.467 399 K N 3.789 124.269 120.400 0.133 0.000 2.339 399 K HA 0.383 4.703 4.320 -0.001 0.000 0.286 399 K C -1.384 175.266 176.600 0.083 0.000 1.050 399 K CA 0.081 56.453 56.287 0.142 0.000 0.956 399 K CB 0.353 32.930 32.500 0.130 0.000 0.990 399 K HN 0.621 nan 8.250 nan 0.000 0.475 400 L N 7.797 129.059 121.223 0.064 0.000 2.264 400 L HA 0.419 4.759 4.340 -0.001 0.000 0.289 400 L C -1.992 174.882 176.870 0.007 0.000 1.044 400 L CA -2.468 52.382 54.840 0.018 0.000 0.807 400 L CB 1.356 43.407 42.059 -0.014 0.000 1.192 400 L HN 0.584 nan 8.230 nan 0.000 0.425 401 P HA 0.018 nan 4.420 nan 0.000 0.267 401 P C -0.732 176.555 177.300 -0.023 0.000 1.200 401 P CA -0.326 62.773 63.100 -0.002 0.000 0.772 401 P CB 0.346 32.048 31.700 0.003 0.000 0.855 402 N N 1.447 120.126 118.700 -0.035 0.000 2.411 402 N HA 0.238 4.977 4.740 -0.001 0.000 0.261 402 N C 1.580 177.064 175.510 -0.043 0.000 1.248 402 N CA 1.766 54.781 53.050 -0.059 0.000 0.885 402 N CB -0.260 38.184 38.487 -0.071 0.000 1.062 402 N HN 0.740 nan 8.380 nan 0.000 0.471 403 G N 0.197 108.970 108.800 -0.045 0.000 2.284 403 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.216 403 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.216 403 G C 0.242 175.136 174.900 -0.010 0.000 1.009 403 G CA 0.064 45.148 45.100 -0.027 0.000 0.625 403 G HN 0.894 nan 8.290 nan 0.000 0.501 404 A N 1.124 123.937 122.820 -0.012 0.000 2.462 404 A HA 0.680 5.000 4.320 -0.001 0.000 0.243 404 A C 0.602 178.182 177.584 -0.006 0.000 1.076 404 A CA 0.373 52.408 52.037 -0.004 0.000 0.773 404 A CB 0.319 19.315 19.000 -0.007 0.000 1.010 404 A HN 0.428 nan 8.150 nan 0.000 0.493 405 R N 0.906 121.405 120.500 -0.002 0.000 2.711 405 R HA 0.629 4.968 4.340 -0.001 0.000 0.284 405 R C -1.343 174.911 176.300 -0.077 0.000 0.968 405 R CA -0.721 55.376 56.100 -0.005 0.000 0.924 405 R CB 1.588 31.916 30.300 0.046 0.000 1.162 405 R HN 0.425 nan 8.270 nan 0.000 0.465 406 V N 2.254 122.096 119.914 -0.120 0.000 2.555 406 V HA 0.323 4.443 4.120 -0.001 0.000 0.302 406 V C -0.230 175.708 176.094 -0.261 0.000 1.038 406 V CA -0.827 61.315 62.300 -0.263 0.000 0.887 406 V CB 2.232 33.813 31.823 -0.403 0.000 0.991 406 V HN 0.532 nan 8.190 nan 0.000 0.434 407 E N 3.231 123.277 120.200 -0.258 0.000 2.145 407 E HA 0.493 4.842 4.350 -0.001 0.000 0.270 407 E C -1.616 174.955 176.600 -0.048 0.000 0.906 407 E CA -0.420 55.935 56.400 -0.075 0.000 0.761 407 E CB 2.104 31.822 29.700 0.030 0.000 1.116 407 E HN 0.527 nan 8.360 nan 0.000 0.408 408 Y N 0.429 120.709 120.300 -0.034 0.000 2.485 408 Y HA 0.219 4.769 4.550 -0.001 0.000 0.345 408 Y C 0.720 176.371 175.900 -0.416 0.000 0.998 408 Y CA -0.894 57.083 58.100 -0.204 0.000 1.059 408 Y CB 1.758 39.973 38.460 -0.408 0.000 1.234 408 Y HN 0.417 nan 8.280 nan 0.000 0.461 409 E N 3.584 123.515 120.200 -0.448 0.000 3.351 409 E HA 0.197 4.547 4.350 -0.001 0.000 0.220 409 E C 0.196 176.689 176.600 -0.178 0.000 1.150 409 E CA 0.055 56.086 56.400 -0.615 0.000 1.359 409 E CB 0.125 28.934 29.700 -1.485 0.000 1.365 409 E HN 0.825 nan 8.360 nan 0.000 0.434 410 M N 0.374 119.820 119.600 -0.257 0.000 2.562 410 M HA -0.079 4.401 4.480 -0.001 0.000 0.257 410 M C 1.900 178.147 176.300 -0.087 0.000 1.099 410 M CA 0.817 55.915 55.300 -0.337 0.000 1.099 410 M CB 0.260 32.304 32.600 -0.928 0.000 1.427 410 M HN 0.156 nan 8.290 nan 0.000 0.489 411 Q N 0.087 119.864 119.800 -0.037 0.000 2.134 411 Q HA -0.097 4.242 4.340 -0.001 0.000 0.195 411 Q C 1.791 177.902 176.000 0.185 0.000 0.958 411 Q CA 1.533 57.366 55.803 0.049 0.000 0.840 411 Q CB -0.271 28.499 28.738 0.054 0.000 0.918 411 Q HN 0.622 nan 8.270 nan 0.000 0.467 412 W N 0.437 121.726 121.300 -0.018 0.000 2.444 412 W HA 0.083 4.743 4.660 -0.001 0.000 0.308 412 W C 0.579 177.145 176.519 0.079 0.000 1.183 412 W CA 1.433 58.803 57.345 0.042 0.000 1.340 412 W CB -0.045 29.456 29.460 0.068 0.000 1.138 412 W HN 0.380 nan 8.180 nan 0.000 0.510 413 G N 1.335 110.265 108.800 0.217 0.000 2.295 413 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.287 413 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.287 413 G C -0.176 174.763 174.900 0.064 0.000 1.055 413 G CA 0.373 45.588 45.100 0.191 0.000 0.922 413 G HN 0.571 nan 8.290 nan 0.000 0.503 414 H N 0.862 119.949 119.070 0.029 0.000 2.934 414 H HA 0.366 4.921 4.556 -0.001 0.000 0.273 414 H C 1.447 176.820 175.328 0.074 0.000 1.121 414 H CA -0.116 55.965 56.048 0.055 0.000 1.451 414 H CB 0.066 30.032 29.762 0.340 0.000 1.469 414 H HN 0.635 nan 8.280 nan 0.000 0.476 415 I N 1.260 121.840 120.570 0.018 0.000 2.752 415 I HA 0.221 4.390 4.170 -0.001 0.000 0.287 415 I C 1.210 177.470 176.117 0.238 0.000 1.188 415 I CA 0.788 62.132 61.300 0.072 0.000 1.427 415 I CB 0.599 38.547 38.000 -0.086 0.000 1.365 415 I HN 0.745 nan 8.210 nan 0.000 0.585 416 G N 4.569 113.489 108.800 0.200 0.000 2.234 416 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.235 416 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.235 416 G C 0.401 175.345 174.900 0.074 0.000 0.997 416 G CA 0.489 45.689 45.100 0.167 0.000 0.623 416 G HN 1.102 nan 8.290 nan 0.000 0.514 417 W N 2.797 123.973 121.300 -0.206 0.000 2.321 417 W HA -0.172 4.488 4.660 -0.001 0.000 0.306 417 W C 2.572 178.929 176.519 -0.270 0.000 1.217 417 W CA 3.632 60.582 57.345 -0.658 0.000 1.257 417 W CB -0.585 28.482 29.460 -0.655 0.000 1.145 417 W HN 0.716 nan 8.180 nan 0.000 0.509 418 S N -0.068 115.413 115.700 -0.365 0.000 2.400 418 S HA -0.227 4.242 4.470 -0.001 0.000 0.232 418 S C 1.710 176.016 174.600 -0.490 0.000 1.025 418 S CA 1.729 59.478 58.200 -0.752 0.000 0.993 418 S CB -1.108 61.992 63.200 -0.167 0.000 0.808 418 S HN 0.207 nan 8.310 nan 0.000 0.478 419 V N 3.572 123.347 119.914 -0.232 0.000 2.244 419 V HA -0.033 4.087 4.120 -0.001 0.000 0.244 419 V C -0.140 175.898 176.094 -0.092 0.000 1.042 419 V CA 1.814 64.054 62.300 -0.099 0.000 1.006 419 V CB -1.554 30.232 31.823 -0.062 0.000 0.641 419 V HN 0.430 nan 8.190 nan 0.000 0.446 420 P HA -0.075 nan 4.420 nan 0.000 0.219 420 P C 1.572 178.849 177.300 -0.039 0.000 1.150 420 P CA 1.891 65.002 63.100 0.017 0.000 0.814 420 P CB -0.000 31.750 31.700 0.083 0.000 0.787 421 A N 0.903 123.533 122.820 -0.317 0.000 1.902 421 A HA -0.061 4.259 4.320 -0.001 0.000 0.217 421 A C 2.495 179.953 177.584 -0.209 0.000 1.181 421 A CA 2.133 53.942 52.037 -0.380 0.000 0.623 421 A CB -1.523 16.825 19.000 -1.085 0.000 0.818 421 A HN 0.222 nan 8.150 nan 0.000 0.443 422 A N -1.110 121.569 122.820 -0.236 0.000 1.930 422 A HA -0.002 4.318 4.320 -0.001 0.000 0.217 422 A C 2.006 179.643 177.584 0.088 0.000 1.175 422 A CA 1.572 53.565 52.037 -0.074 0.000 0.627 422 A CB -0.696 18.258 19.000 -0.077 0.000 0.815 422 A HN 0.705 nan 8.150 nan 0.000 0.443 423 F N 1.320 121.247 119.950 -0.038 0.000 2.069 423 F HA -0.061 4.466 4.527 -0.000 0.000 0.298 423 F C 2.291 178.134 175.800 0.071 0.000 1.113 423 F CA 1.677 59.686 58.000 0.016 0.000 1.214 423 F CB -0.935 38.062 39.000 -0.006 0.000 0.978 423 F HN 0.177 nan 8.300 nan 0.000 0.474 424 G N -1.377 107.295 108.800 -0.214 0.000 2.418 424 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.217 424 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.217 424 G C 1.653 176.556 174.900 0.005 0.000 1.158 424 G CA 0.961 45.915 45.100 -0.244 0.000 0.771 424 G HN 0.525 nan 8.290 nan 0.000 0.545 425 Y N 1.858 122.103 120.300 -0.091 0.000 2.181 425 Y HA 0.009 4.558 4.550 -0.001 0.000 0.288 425 Y C 2.938 178.776 175.900 -0.104 0.000 1.146 425 Y CA 1.510 59.560 58.100 -0.083 0.000 1.164 425 Y CB -0.226 38.195 38.460 -0.066 0.000 0.982 425 Y HN 0.245 nan 8.280 nan 0.000 0.515 426 A N -1.024 121.844 122.820 0.081 0.000 1.969 426 A HA -0.118 4.202 4.320 -0.001 0.000 0.218 426 A C 2.276 179.791 177.584 -0.116 0.000 1.169 426 A CA 1.696 53.745 52.037 0.021 0.000 0.635 426 A CB -1.171 17.871 19.000 0.070 0.000 0.810 426 A HN 0.335 nan 8.150 nan 0.000 0.445 427 V N -0.435 119.351 119.914 -0.213 0.000 2.427 427 V HA -0.132 3.987 4.120 -0.001 0.000 0.248 427 V C 2.627 178.551 176.094 -0.282 0.000 1.051 427 V CA 1.910 64.031 62.300 -0.298 0.000 1.048 427 V CB -0.926 30.634 31.823 -0.440 0.000 0.666 427 V HN 0.613 nan 8.190 nan 0.000 0.456 428 G N -1.010 107.615 108.800 -0.290 0.000 2.603 428 G HA2 0.256 4.216 3.960 -0.001 0.000 0.214 428 G HA3 0.256 4.216 3.960 -0.001 0.000 0.214 428 G C 0.723 175.364 174.900 -0.432 0.000 1.140 428 G CA 0.751 45.533 45.100 -0.530 0.000 0.800 428 G HN 0.635 nan 8.290 nan 0.000 0.533 429 A N 0.433 123.013 122.820 -0.400 0.000 3.355 429 A HA 0.637 4.956 4.320 -0.001 0.000 0.290 429 A C -1.566 175.933 177.584 -0.141 0.000 0.973 429 A CA -0.716 51.135 52.037 -0.310 0.000 0.933 429 A CB 0.962 19.667 19.000 -0.492 0.000 1.138 429 A HN 0.047 nan 8.150 nan 0.000 0.490 430 P HA -0.172 nan 4.420 nan 0.000 0.222 430 P C 1.321 178.615 177.300 -0.010 0.000 1.147 430 P CA 1.251 64.331 63.100 -0.033 0.000 0.790 430 P CB 0.231 31.918 31.700 -0.021 0.000 0.780 431 E N 0.607 120.794 120.200 -0.021 0.000 2.418 431 E HA -0.109 4.240 4.350 -0.001 0.000 0.197 431 E C 0.481 177.087 176.600 0.009 0.000 1.026 431 E CA 0.571 56.967 56.400 -0.007 0.000 0.862 431 E CB -0.286 29.404 29.700 -0.017 0.000 0.799 431 E HN 0.281 nan 8.360 nan 0.000 0.518 432 R N 0.936 121.449 120.500 0.021 0.000 2.532 432 R HA 0.342 4.681 4.340 -0.001 0.000 0.272 432 R C 0.293 176.632 176.300 0.064 0.000 1.032 432 R CA -0.761 55.371 56.100 0.053 0.000 1.089 432 R CB 1.132 31.492 30.300 0.101 0.000 1.098 432 R HN -0.023 nan 8.270 nan 0.000 0.526 433 R N 2.329 122.866 120.500 0.062 0.000 2.291 433 R HA 0.045 4.384 4.340 -0.001 0.000 0.333 433 R C -0.908 175.437 176.300 0.075 0.000 1.082 433 R CA -0.104 56.033 56.100 0.062 0.000 0.948 433 R CB 0.165 30.498 30.300 0.055 0.000 1.009 433 R HN 0.486 nan 8.270 nan 0.000 0.460 434 N N 6.144 124.892 118.700 0.080 0.000 2.457 434 N HA 0.246 4.985 4.740 -0.001 0.000 0.250 434 N C -0.635 174.908 175.510 0.056 0.000 0.982 434 N CA -0.203 52.894 53.050 0.079 0.000 0.941 434 N CB 1.441 40.001 38.487 0.121 0.000 1.120 434 N HN 0.517 nan 8.380 nan 0.000 0.505 435 I N 2.177 122.777 120.570 0.049 0.000 2.404 435 I HA 0.296 4.465 4.170 -0.001 0.000 0.293 435 I C -0.462 175.696 176.117 0.069 0.000 0.992 435 I CA -0.995 60.364 61.300 0.098 0.000 1.149 435 I CB 1.826 39.937 38.000 0.185 0.000 1.315 435 I HN 0.175 nan 8.210 nan 0.000 0.446 436 L N 7.571 128.848 121.223 0.090 0.000 2.325 436 L HA 0.547 4.886 4.340 -0.001 0.000 0.281 436 L C -0.965 176.001 176.870 0.160 0.000 1.004 436 L CA -0.195 54.687 54.840 0.070 0.000 0.823 436 L CB 1.383 43.460 42.059 0.030 0.000 1.236 436 L HN 0.566 nan 8.230 nan 0.000 0.415 437 M N 6.176 125.862 119.600 0.145 0.000 2.047 437 M HA 0.471 4.951 4.480 -0.001 0.000 0.342 437 M C -1.358 175.015 176.300 0.121 0.000 1.058 437 M CA -0.477 54.919 55.300 0.161 0.000 0.991 437 M CB 1.467 34.141 32.600 0.124 0.000 1.474 437 M HN 0.528 nan 8.290 nan 0.000 0.419 438 V N 3.787 123.755 119.914 0.090 0.000 2.760 438 V HA 0.833 4.953 4.120 -0.001 0.000 0.309 438 V C -0.040 176.057 176.094 0.004 0.000 1.077 438 V CA -0.348 61.998 62.300 0.076 0.000 0.910 438 V CB 2.174 34.073 31.823 0.127 0.000 1.008 438 V HN 0.869 nan 8.190 nan 0.000 0.424 439 G N 3.515 112.320 108.800 0.007 0.000 2.539 439 G HA2 0.290 4.249 3.960 -0.001 0.000 0.258 439 G HA3 0.290 4.249 3.960 -0.001 0.000 0.258 439 G C 0.658 175.499 174.900 -0.098 0.000 1.202 439 G CA 0.422 45.496 45.100 -0.044 0.000 0.851 439 G HN 0.966 nan 8.290 nan 0.000 0.556 440 D N 0.542 120.818 120.400 -0.207 0.000 2.144 440 D HA -0.118 4.522 4.640 -0.001 0.000 0.199 440 D C 2.195 178.437 176.300 -0.097 0.000 0.984 440 D CA 1.464 55.247 54.000 -0.362 0.000 0.834 440 D CB -0.948 39.617 40.800 -0.392 0.000 0.955 440 D HN 0.474 nan 8.370 nan 0.000 0.465 441 G N 0.138 108.966 108.800 0.047 0.000 2.418 441 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.217 441 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.217 441 G C 1.861 176.868 174.900 0.179 0.000 1.158 441 G CA 1.109 46.352 45.100 0.239 0.000 0.771 441 G HN 0.373 nan 8.290 nan 0.000 0.545 442 S N 0.215 115.977 115.700 0.103 0.000 2.368 442 S HA -0.045 4.424 4.470 -0.001 0.000 0.224 442 S C 1.879 176.549 174.600 0.117 0.000 1.029 442 S CA 0.775 59.026 58.200 0.085 0.000 0.988 442 S CB -0.379 62.865 63.200 0.073 0.000 0.838 442 S HN 0.363 nan 8.310 nan 0.000 0.462 443 F N 2.666 122.592 119.950 -0.040 0.000 2.154 443 F HA -0.201 4.326 4.527 -0.001 0.000 0.301 443 F C 2.330 178.143 175.800 0.022 0.000 1.087 443 F CA 1.534 59.520 58.000 -0.023 0.000 1.274 443 F CB -0.391 38.539 39.000 -0.117 0.000 1.009 443 F HN 0.222 nan 8.300 nan 0.000 0.485 444 Q N -0.363 119.431 119.800 -0.010 0.000 2.291 444 Q HA -0.172 4.167 4.340 -0.001 0.000 0.205 444 Q C 2.084 178.138 176.000 0.091 0.000 0.970 444 Q CA 1.245 56.981 55.803 -0.112 0.000 0.876 444 Q CB -0.227 28.342 28.738 -0.281 0.000 0.935 444 Q HN 0.420 nan 8.270 nan 0.000 0.455 445 L N -0.261 121.011 121.223 0.082 0.000 2.156 445 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 445 L C 1.996 178.940 176.870 0.123 0.000 1.095 445 L CA 1.725 56.648 54.840 0.138 0.000 0.770 445 L CB -0.032 42.132 42.059 0.175 0.000 0.914 445 L HN 0.272 nan 8.230 nan 0.000 0.439 446 T N -5.828 108.743 114.554 0.028 0.000 3.262 446 T HA 0.366 4.716 4.350 -0.001 0.000 0.300 446 T C 1.523 176.131 174.700 -0.153 0.000 0.959 446 T CA 0.218 62.315 62.100 -0.006 0.000 0.936 446 T CB 0.133 69.021 68.868 0.033 0.000 1.169 446 T HN 0.056 nan 8.240 nan 0.000 0.532 447 A N 2.922 125.575 122.820 -0.279 0.000 1.971 447 A HA -0.265 4.054 4.320 -0.001 0.000 0.222 447 A C 2.481 179.968 177.584 -0.162 0.000 1.182 447 A CA 2.117 53.827 52.037 -0.545 0.000 0.649 447 A CB -0.697 18.145 19.000 -0.265 0.000 0.818 447 A HN 0.730 nan 8.150 nan 0.000 0.458 448 Q N -0.697 119.061 119.800 -0.070 0.000 2.291 448 Q HA -0.208 4.132 4.340 -0.001 0.000 0.206 448 Q C 1.323 177.045 176.000 -0.463 0.000 0.976 448 Q CA 1.770 57.426 55.803 -0.246 0.000 0.875 448 Q CB -0.484 28.192 28.738 -0.104 0.000 0.927 448 Q HN 0.596 nan 8.270 nan 0.000 0.450 449 E N 0.939 120.953 120.200 -0.309 0.000 2.409 449 E HA -0.041 4.308 4.350 -0.001 0.000 0.198 449 E C 1.867 178.217 176.600 -0.417 0.000 1.024 449 E CA 0.401 56.581 56.400 -0.368 0.000 0.861 449 E CB -0.114 29.441 29.700 -0.242 0.000 0.788 449 E HN 0.233 nan 8.360 nan 0.000 0.521 450 V N 0.253 119.983 119.914 -0.306 0.000 2.490 450 V HA -0.283 3.837 4.120 -0.001 0.000 0.250 450 V C 2.221 178.137 176.094 -0.297 0.000 1.061 450 V CA 1.632 63.848 62.300 -0.139 0.000 1.064 450 V CB -0.780 31.164 31.823 0.202 0.000 0.670 450 V HN 0.385 nan 8.190 nan 0.000 0.461 451 A N -0.656 121.714 122.820 -0.752 0.000 1.978 451 A HA -0.240 4.080 4.320 -0.001 0.000 0.220 451 A C 2.179 179.569 177.584 -0.324 0.000 1.170 451 A CA 1.544 53.213 52.037 -0.613 0.000 0.636 451 A CB -0.329 18.155 19.000 -0.860 0.000 0.810 451 A HN 0.553 nan 8.150 nan 0.000 0.448 452 Q N -0.770 118.759 119.800 -0.451 0.000 2.187 452 Q HA -0.007 4.332 4.340 -0.001 0.000 0.199 452 Q C 2.110 177.960 176.000 -0.249 0.000 0.957 452 Q CA 1.222 56.734 55.803 -0.485 0.000 0.857 452 Q CB -0.462 27.631 28.738 -1.074 0.000 0.929 452 Q HN 0.795 nan 8.270 nan 0.000 0.453 453 M N -0.032 119.462 119.600 -0.177 0.000 2.080 453 M HA -0.159 4.320 4.480 -0.001 0.000 0.260 453 M C 2.260 178.626 176.300 0.110 0.000 1.068 453 M CA 1.242 56.631 55.300 0.148 0.000 1.109 453 M CB -0.453 32.239 32.600 0.152 0.000 1.342 453 M HN -0.038 nan 8.290 nan 0.000 0.405 454 V N 0.168 120.114 119.914 0.054 0.000 2.295 454 V HA -0.285 3.835 4.120 -0.001 0.000 0.246 454 V C 2.414 178.551 176.094 0.071 0.000 1.049 454 V CA 2.016 64.361 62.300 0.076 0.000 1.024 454 V CB -0.884 30.996 31.823 0.094 0.000 0.648 454 V HN 0.474 nan 8.190 nan 0.000 0.447 455 R N -0.045 120.483 120.500 0.046 0.000 2.091 455 R HA -0.125 4.215 4.340 -0.001 0.000 0.238 455 R C 1.842 178.198 176.300 0.094 0.000 1.136 455 R CA 1.623 57.759 56.100 0.060 0.000 0.959 455 R CB -0.163 30.159 30.300 0.036 0.000 0.856 455 R HN 0.457 nan 8.270 nan 0.000 0.437 456 L N 0.869 122.174 121.223 0.137 0.000 2.653 456 L HA 0.169 4.509 4.340 -0.001 0.000 0.231 456 L C -0.098 176.842 176.870 0.116 0.000 1.153 456 L CA 0.052 54.978 54.840 0.144 0.000 0.933 456 L CB 0.084 42.270 42.059 0.212 0.000 1.175 456 L HN 0.173 nan 8.230 nan 0.000 0.473 457 K N 0.928 121.391 120.400 0.104 0.000 3.148 457 K HA -0.166 4.153 4.320 -0.001 0.000 0.267 457 K C -0.541 176.110 176.600 0.085 0.000 0.996 457 K CA 0.471 56.809 56.287 0.084 0.000 0.737 457 K CB -1.722 30.818 32.500 0.067 0.000 1.308 457 K HN 0.310 nan 8.250 nan 0.000 0.470 458 L N 0.669 121.956 121.223 0.108 0.000 2.275 458 L HA 0.277 4.616 4.340 -0.001 0.000 0.288 458 L C -1.639 175.283 176.870 0.086 0.000 1.046 458 L CA -2.282 52.617 54.840 0.100 0.000 0.805 458 L CB 0.870 43.012 42.059 0.139 0.000 1.193 458 L HN -0.120 nan 8.230 nan 0.000 0.426 459 P HA 0.056 nan 4.420 nan 0.000 0.226 459 P C -0.184 177.144 177.300 0.046 0.000 1.758 459 P CA -0.091 63.040 63.100 0.051 0.000 0.896 459 P CB -0.136 31.589 31.700 0.042 0.000 1.784 460 V N 1.602 121.552 119.914 0.059 0.000 2.529 460 V HA 0.023 4.143 4.120 -0.001 0.000 0.292 460 V C 0.998 177.093 176.094 0.001 0.000 1.028 460 V CA 0.055 62.385 62.300 0.049 0.000 1.074 460 V CB 0.173 32.043 31.823 0.078 0.000 0.958 460 V HN 0.183 nan 8.190 nan 0.000 0.481 461 I N 6.455 127.005 120.570 -0.034 0.000 2.312 461 I HA 0.353 4.523 4.170 -0.001 0.000 0.291 461 I C -0.101 175.875 176.117 -0.236 0.000 1.031 461 I CA 0.056 61.261 61.300 -0.159 0.000 1.293 461 I CB 0.622 38.523 38.000 -0.165 0.000 1.403 461 I HN 0.443 nan 8.210 nan 0.000 0.484 462 I N 6.642 127.035 120.570 -0.296 0.000 2.330 462 I HA 0.269 4.438 4.170 -0.001 0.000 0.289 462 I C -0.721 175.150 176.117 -0.410 0.000 1.001 462 I CA -0.450 60.715 61.300 -0.225 0.000 1.193 462 I CB 0.827 38.779 38.000 -0.081 0.000 1.345 462 I HN 0.356 nan 8.210 nan 0.000 0.461 463 F N 6.690 126.617 119.950 -0.038 0.000 2.335 463 F HA 0.239 4.765 4.527 -0.001 0.000 0.365 463 F C 0.180 175.907 175.800 -0.122 0.000 1.122 463 F CA -0.517 57.446 58.000 -0.062 0.000 1.151 463 F CB 0.676 39.657 39.000 -0.031 0.000 1.282 463 F HN 0.310 nan 8.300 nan 0.000 0.513 464 L N 6.150 127.311 121.223 -0.103 0.000 2.295 464 L HA 0.322 4.662 4.340 -0.001 0.000 0.288 464 L C -0.473 176.252 176.870 -0.243 0.000 1.079 464 L CA -0.285 54.380 54.840 -0.292 0.000 0.830 464 L CB 0.085 41.817 42.059 -0.545 0.000 1.200 464 L HN 0.349 nan 8.230 nan 0.000 0.438 465 I N 5.284 125.747 120.570 -0.179 0.000 2.329 465 I HA 0.085 4.255 4.170 -0.001 0.000 0.295 465 I C 0.596 176.579 176.117 -0.223 0.000 1.109 465 I CA -0.086 61.130 61.300 -0.140 0.000 1.297 465 I CB -0.239 37.728 38.000 -0.055 0.000 1.433 465 I HN 0.519 nan 8.210 nan 0.000 0.509 466 N N 6.461 124.985 118.700 -0.293 0.000 2.602 466 N HA 0.064 4.804 4.740 -0.001 0.000 0.238 466 N C 0.424 175.867 175.510 -0.112 0.000 1.084 466 N CA -0.199 52.678 53.050 -0.289 0.000 0.952 466 N CB 0.155 38.339 38.487 -0.506 0.000 1.244 466 N HN 0.443 nan 8.380 nan 0.000 0.512 467 N N 2.784 121.473 118.700 -0.019 0.000 2.273 467 N HA -0.009 4.731 4.740 -0.001 0.000 0.231 467 N C -0.447 175.150 175.510 0.146 0.000 1.134 467 N CA -0.586 52.501 53.050 0.062 0.000 0.856 467 N CB -0.585 37.924 38.487 0.036 0.000 1.068 467 N HN 0.321 nan 8.380 nan 0.000 0.510 468 Y N 0.569 120.855 120.300 -0.023 0.000 3.027 468 Y HA -0.033 4.517 4.550 -0.001 0.000 0.195 468 Y C 0.385 176.252 175.900 -0.054 0.000 1.381 468 Y CA 0.814 58.906 58.100 -0.013 0.000 1.015 468 Y CB -1.305 37.167 38.460 0.020 0.000 1.329 468 Y HN 0.706 nan 8.280 nan 0.000 0.462 469 G N 0.467 109.198 108.800 -0.116 0.000 2.346 469 G HA2 0.165 4.125 3.960 -0.001 0.000 0.294 469 G HA3 0.165 4.125 3.960 -0.001 0.000 0.294 469 G C -1.455 173.399 174.900 -0.076 0.000 1.294 469 G CA -0.643 44.291 45.100 -0.277 0.000 0.962 469 G HN 0.263 nan 8.290 nan 0.000 0.508 470 Y N 1.987 122.248 120.300 -0.064 0.000 2.636 470 Y HA 0.414 4.964 4.550 -0.001 0.000 0.334 470 Y C 2.199 178.084 175.900 -0.027 0.000 1.286 470 Y CA -0.046 58.033 58.100 -0.035 0.000 1.688 470 Y CB -0.098 38.357 38.460 -0.007 0.000 1.662 470 Y HN 0.484 nan 8.280 nan 0.000 0.465 471 T N 1.591 116.211 114.554 0.110 0.000 2.746 471 T HA -0.209 4.141 4.350 -0.001 0.000 0.267 471 T C 2.170 176.903 174.700 0.055 0.000 1.039 471 T CA 1.398 63.531 62.100 0.056 0.000 1.142 471 T CB -0.148 68.739 68.868 0.031 0.000 0.866 471 T HN 0.692 nan 8.240 nan 0.000 0.444 472 I N 0.647 121.251 120.570 0.057 0.000 2.264 472 I HA -0.200 3.969 4.170 -0.001 0.000 0.248 472 I C 2.428 178.594 176.117 0.081 0.000 1.111 472 I CA 1.635 62.973 61.300 0.064 0.000 1.382 472 I CB -0.006 38.012 38.000 0.030 0.000 1.060 472 I HN 0.142 nan 8.210 nan 0.000 0.418 473 E N 0.089 120.341 120.200 0.086 0.000 2.072 473 E HA -0.141 4.209 4.350 -0.001 0.000 0.190 473 E C 2.090 178.761 176.600 0.119 0.000 0.982 473 E CA 1.183 57.651 56.400 0.113 0.000 0.803 473 E CB -0.140 29.656 29.700 0.159 0.000 0.755 473 E HN 0.368 nan 8.360 nan 0.000 0.453 474 V N 0.600 120.570 119.914 0.093 0.000 2.392 474 V HA -0.260 3.859 4.120 -0.001 0.000 0.249 474 V C 1.921 178.024 176.094 0.015 0.000 1.059 474 V CA 1.475 63.796 62.300 0.035 0.000 1.051 474 V CB -0.387 31.439 31.823 0.005 0.000 0.658 474 V HN 0.380 nan 8.190 nan 0.000 0.455 475 M N -1.634 117.980 119.600 0.023 0.000 2.556 475 M HA 0.178 4.658 4.480 -0.001 0.000 0.245 475 M C 1.748 178.051 176.300 0.006 0.000 1.128 475 M CA 1.120 56.421 55.300 0.002 0.000 1.069 475 M CB -0.491 32.101 32.600 -0.013 0.000 1.469 475 M HN 0.318 nan 8.290 nan 0.000 0.494 476 I N -1.606 118.986 120.570 0.037 0.000 2.681 476 I HA -0.051 4.119 4.170 -0.001 0.000 0.247 476 I C 0.395 176.584 176.117 0.121 0.000 1.091 476 I CA 0.530 61.849 61.300 0.032 0.000 1.442 476 I CB 0.290 38.310 38.000 0.033 0.000 1.219 476 I HN 0.223 nan 8.210 nan 0.000 0.451 477 H N 0.178 119.272 119.070 0.040 0.000 3.188 477 H HA 0.280 4.836 4.556 -0.001 0.000 0.325 477 H C -1.555 173.855 175.328 0.137 0.000 1.033 477 H CA -0.829 55.260 56.048 0.070 0.000 1.443 477 H CB 0.969 30.772 29.762 0.070 0.000 1.968 477 H HN -0.072 nan 8.280 nan 0.000 0.449 478 D N 2.675 122.858 120.400 -0.361 0.000 2.264 478 D HA 0.620 5.260 4.640 -0.001 0.000 0.249 478 D C 0.234 176.293 176.300 -0.401 0.000 1.070 478 D CA 0.907 54.751 54.000 -0.259 0.000 0.912 478 D CB 1.382 42.062 40.800 -0.201 0.000 1.193 478 D HN 0.845 nan 8.370 nan 0.000 0.427 479 G N 1.793 110.273 108.800 -0.535 0.000 2.495 479 G HA2 0.302 4.261 3.960 -0.001 0.000 0.294 479 G HA3 0.302 4.261 3.960 -0.001 0.000 0.294 479 G C -2.362 171.958 174.900 -0.966 0.000 1.397 479 G CA -0.867 43.660 45.100 -0.955 0.000 0.790 479 G HN 0.258 nan 8.290 nan 0.000 0.486 480 P HA -0.030 nan 4.420 nan 0.000 0.222 480 P C 1.124 178.235 177.300 -0.316 0.000 1.147 480 P CA 1.043 63.904 63.100 -0.398 0.000 0.790 480 P CB -0.146 31.422 31.700 -0.219 0.000 0.780 481 Y N -2.046 118.249 120.300 -0.008 0.000 2.616 481 Y HA 0.122 4.672 4.550 -0.001 0.000 0.296 481 Y C 1.387 177.308 175.900 0.035 0.000 1.154 481 Y CA -0.027 58.089 58.100 0.026 0.000 1.325 481 Y CB -1.960 36.543 38.460 0.070 0.000 1.007 481 Y HN -0.088 nan 8.280 nan 0.000 0.542 482 N N 0.281 118.997 118.700 0.027 0.000 2.336 482 N HA -0.026 4.714 4.740 -0.001 0.000 0.189 482 N C -0.656 174.640 175.510 -0.357 0.000 1.113 482 N CA 0.204 53.263 53.050 0.015 0.000 0.858 482 N CB -0.129 38.385 38.487 0.044 0.000 0.970 482 N HN 0.351 nan 8.380 nan 0.000 0.471 483 N N 1.155 119.651 118.700 -0.340 0.000 2.498 483 N HA 0.323 5.063 4.740 -0.001 0.000 0.287 483 N C 0.193 175.450 175.510 -0.420 0.000 1.097 483 N CA -0.305 52.490 53.050 -0.425 0.000 0.973 483 N CB 1.860 40.152 38.487 -0.326 0.000 1.153 483 N HN 0.167 nan 8.380 nan 0.000 0.472 484 I N -2.604 117.696 120.570 -0.450 0.000 3.108 484 I HA 0.591 4.761 4.170 -0.001 0.000 0.312 484 I C -0.195 175.896 176.117 -0.045 0.000 1.095 484 I CA -1.265 59.880 61.300 -0.257 0.000 1.000 484 I CB 1.908 39.729 38.000 -0.299 0.000 1.229 484 I HN 0.068 nan 8.210 nan 0.000 0.454 485 K N 3.094 123.539 120.400 0.076 0.000 2.349 485 K HA 0.190 4.509 4.320 -0.001 0.000 0.289 485 K C -0.394 176.355 176.600 0.248 0.000 1.064 485 K CA 0.101 56.513 56.287 0.209 0.000 0.947 485 K CB 0.210 32.856 32.500 0.242 0.000 1.007 485 K HN 0.676 nan 8.250 nan 0.000 0.478 486 N N 3.769 122.664 118.700 0.326 0.000 2.492 486 N HA 0.094 4.833 4.740 -0.001 0.000 0.260 486 N C -1.089 174.537 175.510 0.193 0.000 1.215 486 N CA 0.025 53.201 53.050 0.210 0.000 0.923 486 N CB 0.350 38.870 38.487 0.054 0.000 1.092 486 N HN 0.347 nan 8.380 nan 0.000 0.448 487 W N 0.664 121.711 121.300 -0.423 0.000 2.576 487 W HA 0.247 4.907 4.660 -0.001 0.000 0.360 487 W C 0.027 176.165 176.519 -0.634 0.000 1.109 487 W CA -0.883 56.097 57.345 -0.609 0.000 1.237 487 W CB 0.036 29.012 29.460 -0.808 0.000 1.369 487 W HN 0.449 nan 8.180 nan 0.000 0.609 488 D N 0.796 121.127 120.400 -0.116 0.000 2.551 488 D HA 0.032 4.672 4.640 -0.001 0.000 0.223 488 D C 0.737 177.022 176.300 -0.025 0.000 1.144 488 D CA -0.058 53.915 54.000 -0.045 0.000 1.025 488 D CB -0.304 40.489 40.800 -0.011 0.000 1.085 488 D HN 0.170 nan 8.370 nan 0.000 0.506 489 Y N 1.939 122.326 120.300 0.144 0.000 2.165 489 Y HA -0.191 4.358 4.550 -0.001 0.000 0.286 489 Y C 2.541 178.458 175.900 0.029 0.000 1.155 489 Y CA 1.335 59.494 58.100 0.097 0.000 1.164 489 Y CB -0.648 37.751 38.460 -0.102 0.000 0.978 489 Y HN 0.465 nan 8.280 nan 0.000 0.513 490 A N 0.292 123.209 122.820 0.162 0.000 1.940 490 A HA -0.151 4.168 4.320 -0.001 0.000 0.219 490 A C 2.565 180.184 177.584 0.058 0.000 1.176 490 A CA 1.839 53.934 52.037 0.096 0.000 0.631 490 A CB -1.500 17.566 19.000 0.109 0.000 0.814 490 A HN 0.487 nan 8.150 nan 0.000 0.446 491 G N -0.795 108.028 108.800 0.039 0.000 2.509 491 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.218 491 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.218 491 G C 1.331 176.189 174.900 -0.071 0.000 1.124 491 G CA 0.903 45.995 45.100 -0.013 0.000 0.776 491 G HN 0.437 nan 8.290 nan 0.000 0.547 492 L N 0.263 121.447 121.223 -0.066 0.000 2.191 492 L HA 0.037 4.377 4.340 -0.001 0.000 0.212 492 L C 2.612 179.294 176.870 -0.314 0.000 1.103 492 L CA 1.267 55.968 54.840 -0.232 0.000 0.769 492 L CB -0.265 41.767 42.059 -0.045 0.000 0.908 492 L HN 0.084 nan 8.230 nan 0.000 0.438 493 M N -0.833 118.729 119.600 -0.064 0.000 2.065 493 M HA -0.173 4.307 4.480 -0.001 0.000 0.259 493 M C 2.090 178.399 176.300 0.016 0.000 1.069 493 M CA 1.553 56.876 55.300 0.038 0.000 1.110 493 M CB -1.140 31.505 32.600 0.074 0.000 1.328 493 M HN 0.235 nan 8.290 nan 0.000 0.405 494 E N -0.226 119.963 120.200 -0.017 0.000 2.268 494 E HA -0.071 4.279 4.350 -0.001 0.000 0.195 494 E C 2.252 178.834 176.600 -0.030 0.000 0.995 494 E CA 0.674 57.070 56.400 -0.006 0.000 0.836 494 E CB -0.292 29.402 29.700 -0.010 0.000 0.763 494 E HN 0.310 nan 8.360 nan 0.000 0.491 495 V N 0.655 120.496 119.914 -0.121 0.000 2.307 495 V HA -0.214 3.906 4.120 -0.001 0.000 0.245 495 V C 1.939 178.027 176.094 -0.010 0.000 1.045 495 V CA 1.436 63.647 62.300 -0.148 0.000 1.024 495 V CB -0.508 31.114 31.823 -0.334 0.000 0.651 495 V HN 0.134 nan 8.190 nan 0.000 0.449 496 F N 0.656 120.629 119.950 0.039 0.000 2.407 496 F HA -0.007 4.519 4.527 -0.001 0.000 0.299 496 F C 2.237 178.059 175.800 0.038 0.000 1.097 496 F CA 0.413 58.437 58.000 0.039 0.000 1.422 496 F CB -1.106 37.925 39.000 0.051 0.000 1.067 496 F HN 0.221 nan 8.300 nan 0.000 0.539 497 N N 0.328 119.147 118.700 0.198 0.000 2.106 497 N HA -0.060 4.679 4.740 -0.001 0.000 0.188 497 N C 1.847 177.419 175.510 0.102 0.000 1.029 497 N CA 1.466 54.592 53.050 0.127 0.000 0.848 497 N CB -0.763 37.775 38.487 0.086 0.000 1.007 497 N HN 0.255 nan 8.380 nan 0.000 0.423 498 G N 1.273 110.123 108.800 0.083 0.000 2.273 498 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.280 498 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.280 498 G C -0.338 174.588 174.900 0.044 0.000 1.047 498 G CA -0.069 45.070 45.100 0.065 0.000 0.869 498 G HN 0.275 nan 8.290 nan 0.000 0.502 499 N N 0.405 119.126 118.700 0.034 0.000 2.454 499 N HA 0.402 5.142 4.740 -0.001 0.000 0.260 499 N C 1.419 176.930 175.510 0.002 0.000 1.218 499 N CA 1.533 54.596 53.050 0.022 0.000 0.904 499 N CB 0.954 39.454 38.487 0.021 0.000 1.065 499 N HN 1.372 nan 8.380 nan 0.000 0.462 500 G N 0.209 109.005 108.800 -0.007 0.000 2.176 500 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.253 500 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.253 500 G C 0.546 175.408 174.900 -0.064 0.000 0.979 500 G CA 0.253 45.335 45.100 -0.030 0.000 0.641 500 G HN 0.869 nan 8.290 nan 0.000 0.530 501 G N -1.212 107.556 108.800 -0.054 0.000 2.849 501 G HA2 0.537 4.497 3.960 -0.001 0.000 0.174 501 G HA3 0.537 4.497 3.960 -0.001 0.000 0.174 501 G C 0.698 175.529 174.900 -0.116 0.000 1.370 501 G CA 0.170 45.197 45.100 -0.121 0.000 1.040 501 G HN 0.097 nan 8.290 nan 0.000 0.582 502 Y N 0.882 121.191 120.300 0.016 0.000 2.224 502 Y HA 0.023 4.572 4.550 -0.001 0.000 0.289 502 Y C 1.723 177.634 175.900 0.017 0.000 1.146 502 Y CA 1.663 59.771 58.100 0.014 0.000 1.182 502 Y CB -0.023 38.444 38.460 0.012 0.000 0.983 502 Y HN 0.599 nan 8.280 nan 0.000 0.524 503 D N -2.009 118.494 120.400 0.171 0.000 2.887 503 D HA 0.540 5.180 4.640 -0.001 0.000 0.221 503 D C -0.419 175.926 176.300 0.076 0.000 1.276 503 D CA -0.171 53.893 54.000 0.107 0.000 1.078 503 D CB 0.526 41.386 40.800 0.099 0.000 1.217 503 D HN -0.011 nan 8.370 nan 0.000 0.631 504 S N -2.748 112.995 115.700 0.071 0.000 2.661 504 S HA 0.797 5.266 4.470 -0.001 0.000 0.268 504 S C -0.527 174.113 174.600 0.067 0.000 1.162 504 S CA -0.538 57.699 58.200 0.061 0.000 0.817 504 S CB 1.403 64.632 63.200 0.048 0.000 1.141 504 S HN 1.192 nan 8.310 nan 0.000 0.477 505 G N -1.161 107.679 108.800 0.066 0.000 2.646 505 G HA2 0.750 4.709 3.960 -0.001 0.000 0.291 505 G HA3 0.750 4.709 3.960 -0.001 0.000 0.291 505 G C -0.624 174.315 174.900 0.065 0.000 1.445 505 G CA -0.263 44.881 45.100 0.073 0.000 0.814 505 G HN 1.596 nan 8.290 nan 0.000 0.495 506 A N -0.088 122.773 122.820 0.067 0.000 2.643 506 A HA 0.717 5.036 4.320 -0.001 0.000 0.295 506 A C 0.912 178.533 177.584 0.062 0.000 1.065 506 A CA 0.511 52.582 52.037 0.058 0.000 0.986 506 A CB -0.113 18.917 19.000 0.050 0.000 1.212 506 A HN 1.504 nan 8.150 nan 0.000 0.516 507 G N 0.077 108.924 108.800 0.079 0.000 2.539 507 G HA2 0.496 4.455 3.960 -0.001 0.000 0.258 507 G HA3 0.496 4.455 3.960 -0.001 0.000 0.258 507 G C -0.311 174.629 174.900 0.066 0.000 1.202 507 G CA -0.326 44.824 45.100 0.084 0.000 0.851 507 G HN 0.329 nan 8.290 nan 0.000 0.556 508 K N -0.291 120.141 120.400 0.054 0.000 2.422 508 K HA 0.554 4.873 4.320 -0.001 0.000 0.251 508 K C -0.417 176.204 176.600 0.035 0.000 0.933 508 K CA -0.718 55.592 56.287 0.039 0.000 0.798 508 K CB 2.574 35.089 32.500 0.025 0.000 1.238 508 K HN 0.604 nan 8.250 nan 0.000 0.428 509 G N 2.902 111.724 108.800 0.035 0.000 2.478 509 G HA2 0.665 4.624 3.960 -0.001 0.000 0.317 509 G HA3 0.665 4.624 3.960 -0.001 0.000 0.317 509 G C -0.969 173.954 174.900 0.038 0.000 1.259 509 G CA -0.495 44.626 45.100 0.036 0.000 0.933 509 G HN 0.362 nan 8.290 nan 0.000 0.478 510 L N 1.157 122.402 121.223 0.037 0.000 2.371 510 L HA 0.606 4.946 4.340 -0.001 0.000 0.262 510 L C -0.178 176.750 176.870 0.097 0.000 1.006 510 L CA -1.093 53.780 54.840 0.055 0.000 0.818 510 L CB 2.743 44.825 42.059 0.038 0.000 1.354 510 L HN 0.327 nan 8.230 nan 0.000 0.415 511 K N 1.283 121.762 120.400 0.132 0.000 2.207 511 K HA 0.840 5.160 4.320 -0.001 0.000 0.255 511 K C -0.965 175.753 176.600 0.196 0.000 0.941 511 K CA -0.746 55.685 56.287 0.239 0.000 0.825 511 K CB 2.393 35.058 32.500 0.275 0.000 1.119 511 K HN 0.647 nan 8.250 nan 0.000 0.430 512 A N 2.530 125.518 122.820 0.279 0.000 2.375 512 A HA 0.313 4.633 4.320 -0.001 0.000 0.291 512 A C -0.175 177.562 177.584 0.256 0.000 1.160 512 A CA -0.696 51.464 52.037 0.204 0.000 0.747 512 A CB 0.582 19.687 19.000 0.175 0.000 1.170 512 A HN 0.825 nan 8.150 nan 0.000 0.458 513 K N 0.760 121.232 120.400 0.120 0.000 2.374 513 K HA 0.167 4.486 4.320 -0.001 0.000 0.202 513 K C 0.261 176.892 176.600 0.052 0.000 1.040 513 K CA 0.868 57.195 56.287 0.066 0.000 1.085 513 K CB 0.952 33.383 32.500 -0.115 0.000 0.873 513 K HN 0.821 nan 8.250 nan 0.000 0.539 514 T N -4.592 109.995 114.554 0.054 0.000 2.864 514 T HA 0.344 4.694 4.350 -0.001 0.000 0.299 514 T C 1.138 175.868 174.700 0.050 0.000 1.166 514 T CA -0.536 61.589 62.100 0.042 0.000 1.007 514 T CB 1.664 70.545 68.868 0.022 0.000 1.219 514 T HN -0.013 nan 8.240 nan 0.000 0.506 515 G N 0.293 109.117 108.800 0.040 0.000 2.469 515 G HA2 0.012 3.971 3.960 -0.001 0.000 0.220 515 G HA3 0.012 3.971 3.960 -0.001 0.000 0.220 515 G C 1.458 176.382 174.900 0.041 0.000 1.136 515 G CA 0.942 46.065 45.100 0.039 0.000 0.759 515 G HN 1.170 nan 8.290 nan 0.000 0.562 516 G N 0.358 109.179 108.800 0.034 0.000 2.402 516 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.216 516 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.216 516 G C 1.612 176.536 174.900 0.040 0.000 1.162 516 G CA 0.996 46.115 45.100 0.032 0.000 0.777 516 G HN 0.523 nan 8.290 nan 0.000 0.539 517 E N -0.423 119.803 120.200 0.044 0.000 2.106 517 E HA -0.077 4.273 4.350 -0.001 0.000 0.192 517 E C 2.358 179.002 176.600 0.073 0.000 0.984 517 E CA 0.546 56.977 56.400 0.052 0.000 0.806 517 E CB -0.127 29.604 29.700 0.052 0.000 0.750 517 E HN 0.329 nan 8.360 nan 0.000 0.458 518 L N 1.030 122.304 121.223 0.086 0.000 2.017 518 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 518 L C 2.208 179.144 176.870 0.109 0.000 1.073 518 L CA 2.051 56.960 54.840 0.114 0.000 0.745 518 L CB -0.740 41.386 42.059 0.112 0.000 0.894 518 L HN 0.029 nan 8.230 nan 0.000 0.432 519 A N -0.860 122.007 122.820 0.079 0.000 1.908 519 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 519 A C 2.142 179.765 177.584 0.066 0.000 1.181 519 A CA 1.764 53.843 52.037 0.070 0.000 0.627 519 A CB -0.578 18.451 19.000 0.049 0.000 0.818 519 A HN 0.534 nan 8.150 nan 0.000 0.445 520 E N -0.107 120.126 120.200 0.056 0.000 2.106 520 E HA -0.075 4.275 4.350 -0.001 0.000 0.192 520 E C 2.362 178.992 176.600 0.050 0.000 0.984 520 E CA 1.178 57.606 56.400 0.047 0.000 0.806 520 E CB -0.703 29.020 29.700 0.038 0.000 0.750 520 E HN 0.568 nan 8.360 nan 0.000 0.458 521 A N 1.396 124.253 122.820 0.061 0.000 1.877 521 A HA -0.161 4.159 4.320 -0.001 0.000 0.216 521 A C 2.354 179.969 177.584 0.052 0.000 1.186 521 A CA 1.242 53.312 52.037 0.055 0.000 0.620 521 A CB -0.739 18.303 19.000 0.069 0.000 0.822 521 A HN 0.192 nan 8.150 nan 0.000 0.443 522 I N -0.551 120.074 120.570 0.092 0.000 2.264 522 I HA -0.301 3.868 4.170 -0.001 0.000 0.248 522 I C 2.471 178.628 176.117 0.068 0.000 1.111 522 I CA 1.623 62.987 61.300 0.106 0.000 1.382 522 I CB -0.297 37.808 38.000 0.176 0.000 1.060 522 I HN 0.340 nan 8.210 nan 0.000 0.418 523 K N 0.358 120.792 120.400 0.057 0.000 2.026 523 K HA -0.136 4.184 4.320 -0.001 0.000 0.208 523 K C 2.071 178.690 176.600 0.032 0.000 1.048 523 K CA 1.323 57.636 56.287 0.043 0.000 0.929 523 K CB -0.283 32.240 32.500 0.038 0.000 0.713 523 K HN 0.127 nan 8.250 nan 0.000 0.439 524 V N 1.478 121.409 119.914 0.028 0.000 2.392 524 V HA -0.279 3.840 4.120 -0.001 0.000 0.249 524 V C 2.333 178.435 176.094 0.013 0.000 1.059 524 V CA 2.050 64.363 62.300 0.021 0.000 1.051 524 V CB -0.715 31.120 31.823 0.019 0.000 0.658 524 V HN 0.378 nan 8.190 nan 0.000 0.455 525 A N -0.289 122.534 122.820 0.005 0.000 1.898 525 A HA -0.119 4.201 4.320 -0.001 0.000 0.216 525 A C 2.185 179.771 177.584 0.004 0.000 1.181 525 A CA 1.622 53.650 52.037 -0.015 0.000 0.620 525 A CB -0.486 18.477 19.000 -0.063 0.000 0.819 525 A HN 0.503 nan 8.150 nan 0.000 0.442 526 L N -0.907 120.328 121.223 0.020 0.000 2.141 526 L HA -0.130 4.210 4.340 -0.001 0.000 0.209 526 L C 2.803 179.689 176.870 0.025 0.000 1.094 526 L CA 0.915 55.772 54.840 0.029 0.000 0.763 526 L CB -0.312 41.771 42.059 0.039 0.000 0.908 526 L HN 0.429 nan 8.230 nan 0.000 0.437 527 A N -0.988 121.846 122.820 0.023 0.000 2.169 527 A HA -0.045 4.274 4.320 -0.001 0.000 0.212 527 A C 0.990 178.587 177.584 0.022 0.000 1.153 527 A CA 0.194 52.244 52.037 0.022 0.000 0.756 527 A CB -0.408 18.605 19.000 0.021 0.000 0.813 527 A HN 0.325 nan 8.150 nan 0.000 0.471 528 N N 1.103 119.815 118.700 0.020 0.000 2.482 528 N HA 0.116 4.855 4.740 -0.001 0.000 0.242 528 N C 0.855 176.381 175.510 0.026 0.000 1.100 528 N CA 0.774 53.837 53.050 0.023 0.000 0.946 528 N CB 0.629 39.128 38.487 0.020 0.000 1.227 528 N HN 0.253 nan 8.380 nan 0.000 0.508 529 T N -1.329 113.242 114.554 0.028 0.000 3.086 529 T HA 0.176 4.526 4.350 -0.001 0.000 0.250 529 T C 0.330 175.051 174.700 0.035 0.000 1.074 529 T CA 0.063 62.181 62.100 0.030 0.000 0.988 529 T CB 0.204 69.088 68.868 0.027 0.000 0.988 529 T HN 0.124 nan 8.240 nan 0.000 0.530 530 D N 0.923 121.346 120.400 0.038 0.000 2.379 530 D HA 0.382 5.022 4.640 -0.001 0.000 0.208 530 D C 0.938 177.269 176.300 0.053 0.000 1.065 530 D CA 0.394 54.420 54.000 0.043 0.000 0.848 530 D CB 0.977 41.801 40.800 0.039 0.000 0.949 530 D HN 0.643 nan 8.370 nan 0.000 0.509 531 G N 0.388 109.220 108.800 0.054 0.000 2.506 531 G HA2 0.381 4.340 3.960 -0.001 0.000 0.292 531 G HA3 0.381 4.340 3.960 -0.001 0.000 0.292 531 G C -3.080 171.857 174.900 0.062 0.000 1.425 531 G CA -0.987 44.152 45.100 0.066 0.000 0.788 531 G HN -0.301 nan 8.290 nan 0.000 0.490 532 P HA 0.346 nan 4.420 nan 0.000 0.272 532 P C -0.557 176.768 177.300 0.042 0.000 1.230 532 P CA 0.182 63.320 63.100 0.063 0.000 0.788 532 P CB 1.202 32.959 31.700 0.095 0.000 0.949 533 T N 2.305 116.858 114.554 -0.001 0.000 2.840 533 T HA 0.401 4.750 4.350 -0.001 0.000 0.287 533 T C -0.270 174.381 174.700 -0.082 0.000 0.991 533 T CA -0.414 61.667 62.100 -0.031 0.000 0.964 533 T CB 0.591 69.425 68.868 -0.057 0.000 0.954 533 T HN 0.284 nan 8.240 nan 0.000 0.438 534 L N 5.153 126.347 121.223 -0.047 0.000 2.264 534 L HA 0.625 4.964 4.340 -0.001 0.000 0.289 534 L C -0.965 175.841 176.870 -0.106 0.000 1.044 534 L CA -0.746 54.039 54.840 -0.091 0.000 0.807 534 L CB 0.359 42.398 42.059 -0.033 0.000 1.192 534 L HN 0.644 nan 8.230 nan 0.000 0.425 535 I N 5.124 125.587 120.570 -0.179 0.000 2.330 535 I HA 0.235 4.404 4.170 -0.001 0.000 0.286 535 I C 0.032 176.115 176.117 -0.056 0.000 1.025 535 I CA -0.336 60.906 61.300 -0.097 0.000 1.197 535 I CB 1.369 39.298 38.000 -0.118 0.000 1.358 535 I HN 0.613 nan 8.210 nan 0.000 0.467 536 E N 6.340 126.525 120.200 -0.024 0.000 2.070 536 E HA 0.205 4.554 4.350 -0.001 0.000 0.282 536 E C -1.087 175.470 176.600 -0.072 0.000 1.104 536 E CA -0.509 55.830 56.400 -0.102 0.000 0.876 536 E CB 0.554 30.223 29.700 -0.052 0.000 1.055 536 E HN 0.621 nan 8.360 nan 0.000 0.401 537 C N 5.709 124.939 119.300 -0.116 0.000 2.307 537 C HA 0.373 4.833 4.460 -0.001 0.000 0.340 537 C C -0.362 174.561 174.990 -0.112 0.000 1.275 537 C CA -0.824 58.202 59.018 0.013 0.000 1.811 537 C CB -0.817 26.960 27.740 0.063 0.000 2.372 537 C HN 0.590 nan 8.230 nan 0.000 0.531 538 F N 4.850 124.822 119.950 0.036 0.000 2.371 538 F HA 0.631 5.158 4.527 -0.001 0.000 0.363 538 F C 0.625 176.443 175.800 0.029 0.000 1.122 538 F CA -0.526 57.494 58.000 0.034 0.000 1.129 538 F CB 0.370 39.387 39.000 0.029 0.000 1.173 538 F HN 0.489 nan 8.300 nan 0.000 0.489 539 I N -0.549 120.107 120.570 0.144 0.000 3.145 539 I HA 0.945 5.115 4.170 -0.001 0.000 0.313 539 I C 0.150 176.325 176.117 0.098 0.000 1.122 539 I CA -1.321 60.042 61.300 0.106 0.000 0.987 539 I CB 1.845 39.883 38.000 0.063 0.000 1.236 539 I HN 0.522 nan 8.210 nan 0.000 0.453 540 G N 1.268 110.115 108.800 0.078 0.000 2.539 540 G HA2 0.260 4.220 3.960 -0.001 0.000 0.258 540 G HA3 0.260 4.220 3.960 -0.001 0.000 0.258 540 G C 0.448 175.382 174.900 0.057 0.000 1.202 540 G CA -0.473 44.671 45.100 0.073 0.000 0.851 540 G HN 0.978 nan 8.290 nan 0.000 0.556 541 R N -0.031 120.503 120.500 0.057 0.000 2.096 541 R HA -0.101 4.239 4.340 -0.001 0.000 0.235 541 R C 1.802 178.111 176.300 0.015 0.000 1.127 541 R CA 2.089 58.209 56.100 0.034 0.000 0.968 541 R CB -0.027 30.286 30.300 0.020 0.000 0.861 541 R HN 0.589 nan 8.270 nan 0.000 0.440 542 E N 0.187 120.394 120.200 0.011 0.000 2.489 542 E HA -0.070 4.280 4.350 -0.001 0.000 0.193 542 E C -0.344 176.255 176.600 -0.002 0.000 1.057 542 E CA 0.199 56.599 56.400 -0.001 0.000 0.866 542 E CB -0.093 29.604 29.700 -0.006 0.000 0.916 542 E HN 0.298 nan 8.360 nan 0.000 0.500 543 D N 2.117 122.523 120.400 0.009 0.000 2.517 543 D HA 0.073 4.713 4.640 -0.001 0.000 0.220 543 D C -0.448 175.855 176.300 0.005 0.000 1.158 543 D CA -0.347 53.658 54.000 0.008 0.000 0.992 543 D CB -0.312 40.500 40.800 0.020 0.000 1.058 543 D HN 0.183 nan 8.370 nan 0.000 0.516 544 C N 0.898 120.193 119.300 -0.009 0.000 3.213 544 C HA 0.857 5.317 4.460 -0.001 0.000 0.319 544 C C 0.654 175.625 174.990 -0.033 0.000 1.386 544 C CA -0.703 58.306 59.018 -0.015 0.000 1.494 544 C CB 0.774 28.497 27.740 -0.029 0.000 1.905 544 C HN 0.495 nan 8.230 nan 0.000 0.456 545 T N -1.069 113.460 114.554 -0.041 0.000 2.903 545 T HA 0.219 4.569 4.350 -0.001 0.000 0.314 545 T C 0.677 175.308 174.700 -0.114 0.000 1.078 545 T CA 0.336 62.404 62.100 -0.054 0.000 1.114 545 T CB 0.350 69.208 68.868 -0.016 0.000 0.987 545 T HN 0.823 nan 8.240 nan 0.000 0.548 546 E N 1.004 121.152 120.200 -0.087 0.000 2.150 546 E HA -0.141 4.209 4.350 -0.001 0.000 0.193 546 E C 2.075 178.580 176.600 -0.158 0.000 0.985 546 E CA 1.254 57.596 56.400 -0.097 0.000 0.814 546 E CB -0.052 29.613 29.700 -0.059 0.000 0.752 546 E HN 0.784 nan 8.360 nan 0.000 0.466 547 E N 0.833 120.918 120.200 -0.192 0.000 2.077 547 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 547 E C 1.944 178.166 176.600 -0.631 0.000 0.989 547 E CA 0.628 56.857 56.400 -0.285 0.000 0.800 547 E CB -0.150 29.485 29.700 -0.109 0.000 0.746 547 E HN 0.104 nan 8.360 nan 0.000 0.452 548 L N 0.338 120.984 121.223 -0.961 0.000 2.012 548 L HA -0.170 4.170 4.340 -0.001 0.000 0.210 548 L C 2.028 178.670 176.870 -0.380 0.000 1.073 548 L CA 1.522 55.708 54.840 -1.090 0.000 0.748 548 L CB -0.473 41.140 42.059 -0.743 0.000 0.891 548 L HN 0.022 nan 8.230 nan 0.000 0.431 549 V N -0.065 119.695 119.914 -0.257 0.000 2.295 549 V HA -0.306 3.814 4.120 -0.001 0.000 0.246 549 V C 2.629 178.656 176.094 -0.112 0.000 1.049 549 V CA 2.236 64.454 62.300 -0.137 0.000 1.024 549 V CB -0.811 30.949 31.823 -0.105 0.000 0.648 549 V HN 0.468 nan 8.190 nan 0.000 0.447 550 K N -1.187 119.141 120.400 -0.120 0.000 2.002 550 K HA -0.255 4.064 4.320 -0.001 0.000 0.209 550 K C 1.998 178.553 176.600 -0.075 0.000 1.048 550 K CA 2.155 58.390 56.287 -0.087 0.000 0.930 550 K CB -0.386 32.068 32.500 -0.078 0.000 0.714 550 K HN 0.609 nan 8.250 nan 0.000 0.438 551 W N 1.527 122.642 121.300 -0.308 0.000 2.358 551 W HA -0.139 4.521 4.660 -0.000 0.000 0.303 551 W C 1.998 178.389 176.519 -0.214 0.000 1.208 551 W CA 2.022 59.186 57.345 -0.302 0.000 1.274 551 W CB -0.688 28.530 29.460 -0.404 0.000 1.138 551 W HN 0.121 nan 8.180 nan 0.000 0.515 552 G N 0.607 109.359 108.800 -0.080 0.000 2.469 552 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.219 552 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.219 552 G C 1.500 176.244 174.900 -0.261 0.000 1.150 552 G CA 1.330 46.301 45.100 -0.214 0.000 0.763 552 G HN 0.321 nan 8.290 nan 0.000 0.561 553 K N -0.240 120.054 120.400 -0.176 0.000 2.097 553 K HA -0.011 4.308 4.320 -0.001 0.000 0.206 553 K C 2.786 179.286 176.600 -0.167 0.000 1.049 553 K CA 0.730 56.937 56.287 -0.132 0.000 0.933 553 K CB -0.065 32.383 32.500 -0.086 0.000 0.717 553 K HN 0.042 nan 8.250 nan 0.000 0.442 554 R N 0.532 120.894 120.500 -0.230 0.000 2.075 554 R HA -0.053 4.286 4.340 -0.001 0.000 0.232 554 R C 2.324 178.453 176.300 -0.284 0.000 1.126 554 R CA 0.842 56.809 56.100 -0.223 0.000 0.963 554 R CB -0.945 29.217 30.300 -0.230 0.000 0.858 554 R HN 0.063 nan 8.270 nan 0.000 0.435 555 V N 1.522 121.132 119.914 -0.506 0.000 2.295 555 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 555 V C 2.557 178.511 176.094 -0.233 0.000 1.049 555 V CA 1.983 63.989 62.300 -0.491 0.000 1.024 555 V CB -0.891 30.371 31.823 -0.936 0.000 0.648 555 V HN 0.339 nan 8.190 nan 0.000 0.447 556 A N -0.220 122.479 122.820 -0.202 0.000 1.908 556 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 556 A C 2.402 179.945 177.584 -0.069 0.000 1.181 556 A CA 2.326 54.304 52.037 -0.098 0.000 0.627 556 A CB -0.798 18.169 19.000 -0.055 0.000 0.818 556 A HN 0.605 nan 8.150 nan 0.000 0.445 557 A N -0.225 122.553 122.820 -0.071 0.000 1.873 557 A HA 0.181 4.500 4.320 -0.001 0.000 0.215 557 A C 2.535 180.119 177.584 -0.000 0.000 1.186 557 A CA 2.092 54.109 52.037 -0.033 0.000 0.616 557 A CB -1.091 17.891 19.000 -0.031 0.000 0.823 557 A HN 1.096 nan 8.150 nan 0.000 0.442 558 A N 0.402 123.228 122.820 0.009 0.000 1.883 558 A HA -0.256 4.064 4.320 -0.001 0.000 0.217 558 A C 1.901 179.538 177.584 0.088 0.000 1.186 558 A CA 1.847 53.943 52.037 0.098 0.000 0.624 558 A CB -0.980 18.084 19.000 0.106 0.000 0.822 558 A HN 0.737 nan 8.150 nan 0.000 0.444 559 N N -0.046 118.673 118.700 0.031 0.000 2.166 559 N HA -0.132 4.608 4.740 -0.001 0.000 0.186 559 N C 1.644 177.154 175.510 0.002 0.000 1.019 559 N CA 1.453 54.516 53.050 0.022 0.000 0.856 559 N CB -0.102 38.380 38.487 -0.009 0.000 0.993 559 N HN 0.634 nan 8.380 nan 0.000 0.426 560 S N 0.854 116.544 115.700 -0.015 0.000 2.556 560 S HA 0.057 4.527 4.470 -0.001 0.000 0.216 560 S C 0.483 175.075 174.600 -0.013 0.000 0.970 560 S CA -0.647 57.534 58.200 -0.031 0.000 0.912 560 S CB -0.093 63.072 63.200 -0.058 0.000 0.790 560 S HN 0.236 nan 8.310 nan 0.000 0.504 561 R N 2.526 123.030 120.500 0.007 0.000 2.538 561 R HA 0.120 4.460 4.340 -0.001 0.000 0.282 561 R C -0.037 176.263 176.300 -0.000 0.000 1.009 561 R CA -0.370 55.735 56.100 0.009 0.000 1.063 561 R CB -0.062 30.254 30.300 0.026 0.000 0.945 561 R HN 0.426 nan 8.270 nan 0.000 0.414 562 K N 3.068 123.464 120.400 -0.005 0.000 2.344 562 K HA 0.182 4.501 4.320 -0.001 0.000 0.260 562 K C -2.026 174.568 176.600 -0.010 0.000 0.988 562 K CA -1.166 55.115 56.287 -0.009 0.000 0.909 562 K CB -0.155 32.339 32.500 -0.009 0.000 0.968 562 K HN 0.403 nan 8.250 nan 0.000 0.505 563 P HA 0.067 nan 4.420 nan 0.000 0.276 563 P C -0.623 176.668 177.300 -0.016 0.000 1.235 563 P CA -0.497 62.594 63.100 -0.015 0.000 0.772 563 P CB 0.852 32.543 31.700 -0.014 0.000 0.871 564 V N 3.223 123.124 119.914 -0.021 0.000 3.051 564 V HA 0.055 4.175 4.120 -0.001 0.000 0.306 564 V C 0.951 177.033 176.094 -0.020 0.000 1.083 564 V CA -0.297 61.990 62.300 -0.022 0.000 1.104 564 V CB 0.463 32.268 31.823 -0.030 0.000 1.027 564 V HN 0.606 nan 8.190 nan 0.000 0.483 565 N N 3.119 121.808 118.700 -0.019 0.000 2.414 565 N HA 0.202 4.941 4.740 -0.001 0.000 0.256 565 N C 0.272 175.772 175.510 -0.018 0.000 1.029 565 N CA -0.680 52.360 53.050 -0.017 0.000 0.948 565 N CB 0.601 39.080 38.487 -0.014 0.000 1.102 565 N HN 0.722 nan 8.380 nan 0.000 0.496 566 K N 0.000 120.389 120.400 -0.018 0.000 2.780 566 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 566 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 566 K CB 0.000 32.491 32.500 -0.016 0.000 1.064 566 K HN 0.000 nan 8.250 nan 0.000 0.543