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 1qxp_1_A DATA FIRST_RESID 2 DATA SEQUENCE AGIAMKLAKD REAAEGLGSH ERAIKYLNQD YETLRNECLE AGALFQDPAF DATA SEQUENCE PPVSHSLGFK ELGPNSSKTY GIKWKRPTEL LSNPQFIVDG ATRTDICQGA DATA SEQUENCE LGDSWLLAAI ASLTLNETIL HRVVPYGQSF QEGYAGIFHF QLWQFGEWVD DATA SEQUENCE VVVDDLLPTK DGKLVFVHSA QGNEFWSALL EKAYAKVNGS YEALSGGCTS DATA SEQUENCE EAFEDFTGGV TEWYDLQKAP SDLYQIILKA LERGSLLGCS INIXXXXXXX DATA SEQUENCE XXTFKNLXXX HAYSVTDAKQ VTYQGQRVNL IRMRNPWGEV EWKGPWSXNS DATA SEQUENCE YEWNKVDPYE REQLRVKMED GEFWMSFRDF IREFTKLEIC NLTPXXLKSR DATA SEQUENCE TLRNWNTTFY EGTWRRGSTA GGCRNYPATF WVNPQFKIRL EEVDDXXXXX DATA SEQUENCE SRESGCSFLL ALMQKXXXXX XXXXXDMETI GFAVYQVPRE LXXXXVHLKR DATA SEQUENCE DFFLANASRA QSEHFINLRE VSNRIRLPPG EYIVVPSTFE PNKEGDFLLR DATA SEQUENCE FFSEKKAGTQ ELDDQIQANL PXXXXXXXXX XXXXXXXXXS KLAGDDMEIS DATA SEQUENCE VKELQTILNX XXXXXXXXRT NGFSLESCRS MVNLMDRXXN GKLGLVEFNI DATA SEQUENCE LWNRIRNYLT IFRKFDLDKS GSMSAYEMRM AIEAAGFKLP CQLHQVIVAR DATA SEQUENCE FADDELIIDF DNFVRCLVRL EILFKIFKQL DPENTGTIQL DLISWLSFSV DATA SEQUENCE LXXXXXXXMH YSNIXXXXXX XXXXXXXXFV QLAGDDMEVS ATELMNILNK DATA SEQUENCE XXXXHPDLKX XGFGIDTCRS MVAVMDSDTT GKLGFEEFKY LWNNIKKWQG DATA SEQUENCE IYXXXXTDRS GXXXXXXXPG AFEAAGFHLN QHIYSXXXXX XXXETGNMDF DATA SEQUENCE DNFISCLVRL DAMFRAFRSL DKNGTGQIQV NIQEWLQLTM YS 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.594 177.584 0.017 0.000 1.274 2 A CA 0.000 52.004 52.037 -0.056 0.000 0.836 2 A CB 0.000 18.921 19.000 -0.132 0.000 0.831 3 G N 0.547 109.368 108.800 0.034 0.000 2.795 3 G HA2 0.243 4.190 3.960 -0.021 0.000 0.664 3 G HA3 0.243 4.190 3.960 -0.021 0.000 0.664 3 G C 0.586 175.520 174.900 0.057 0.000 1.381 3 G CA 0.115 45.265 45.100 0.084 0.000 0.853 3 G HN 2.426 nan 8.290 nan 0.000 0.545 4 I N -2.293 118.323 120.570 0.076 0.000 2.450 4 I HA -0.037 4.120 4.170 -0.021 0.000 0.260 4 I C 2.613 178.740 176.117 0.015 0.000 1.145 4 I CA 2.907 64.221 61.300 0.023 0.000 1.413 4 I CB -1.291 36.718 38.000 0.015 0.000 1.090 4 I HN 1.550 nan 8.210 nan 0.000 0.445 5 A N 0.370 123.211 122.820 0.035 0.000 1.898 5 A HA 0.091 4.398 4.320 -0.021 0.000 0.214 5 A C 2.125 179.704 177.584 -0.009 0.000 1.183 5 A CA 1.335 53.379 52.037 0.012 0.000 0.622 5 A CB -0.588 18.434 19.000 0.037 0.000 0.824 5 A HN 0.477 nan 8.150 nan 0.000 0.444 6 M N -0.508 119.087 119.600 -0.008 0.000 2.915 6 M HA 0.114 4.581 4.480 -0.021 0.000 0.206 6 M C 0.986 177.266 176.300 -0.033 0.000 1.271 6 M CA 0.598 55.882 55.300 -0.026 0.000 1.122 6 M CB 0.129 32.707 32.600 -0.037 0.000 1.655 6 M HN 0.150 nan 8.290 nan 0.000 0.434 7 K N -1.392 118.990 120.400 -0.030 0.000 2.645 7 K HA 0.279 4.586 4.320 -0.021 0.000 0.203 7 K C 0.957 177.535 176.600 -0.037 0.000 1.653 7 K CA 0.431 56.695 56.287 -0.038 0.000 1.138 7 K CB 0.099 32.572 32.500 -0.045 0.000 1.515 7 K HN 0.354 nan 8.250 nan 0.000 0.592 8 L N 0.734 121.938 121.223 -0.032 0.000 2.291 8 L HA 0.031 4.358 4.340 -0.021 0.000 0.214 8 L C 2.118 178.968 176.870 -0.033 0.000 1.120 8 L CA 1.199 56.020 54.840 -0.031 0.000 0.799 8 L CB -0.201 41.839 42.059 -0.030 0.000 0.925 8 L HN 0.072 nan 8.230 nan 0.000 0.446 9 A N 0.019 122.819 122.820 -0.034 0.000 1.855 9 A HA -0.139 4.168 4.320 -0.021 0.000 0.213 9 A C 2.147 179.716 177.584 -0.026 0.000 1.195 9 A CA 0.972 52.988 52.037 -0.034 0.000 0.610 9 A CB -0.214 18.764 19.000 -0.036 0.000 0.837 9 A HN 0.118 nan 8.150 nan 0.000 0.444 10 K N 0.986 121.372 120.400 -0.025 0.000 2.127 10 K HA -0.165 4.142 4.320 -0.021 0.000 0.208 10 K C 1.394 177.989 176.600 -0.008 0.000 1.047 10 K CA 1.837 58.114 56.287 -0.017 0.000 0.927 10 K CB -0.618 31.868 32.500 -0.023 0.000 0.716 10 K HN 0.537 nan 8.250 nan 0.000 0.450 11 D N -0.106 120.287 120.400 -0.013 0.000 2.075 11 D HA -0.087 4.540 4.640 -0.021 0.000 0.196 11 D C 1.919 178.219 176.300 -0.001 0.000 0.985 11 D CA 1.133 55.130 54.000 -0.004 0.000 0.834 11 D CB -0.192 40.602 40.800 -0.010 0.000 0.987 11 D HN 0.150 nan 8.370 nan 0.000 0.452 12 R N 0.960 121.454 120.500 -0.009 0.000 2.134 12 R HA -0.185 4.143 4.340 -0.021 0.000 0.248 12 R C 1.951 178.250 176.300 -0.001 0.000 1.143 12 R CA 1.075 57.170 56.100 -0.008 0.000 0.957 12 R CB -0.568 29.719 30.300 -0.022 0.000 0.867 12 R HN 0.244 nan 8.270 nan 0.000 0.441 13 E N 1.014 121.213 120.200 -0.002 0.000 1.997 13 E HA -0.162 4.175 4.350 -0.021 0.000 0.201 13 E C 2.178 178.790 176.600 0.020 0.000 1.011 13 E CA 1.270 57.673 56.400 0.005 0.000 0.847 13 E CB -0.892 28.809 29.700 0.002 0.000 0.787 13 E HN 0.287 nan 8.360 nan 0.000 0.472 14 A N 1.826 124.661 122.820 0.025 0.000 1.900 14 A HA -0.361 3.946 4.320 -0.021 0.000 0.250 14 A C 2.355 179.977 177.584 0.062 0.000 2.132 14 A CA 3.758 55.823 52.037 0.046 0.000 0.861 14 A CB -1.522 17.506 19.000 0.047 0.000 0.830 14 A HN 0.426 nan 8.150 nan 0.000 0.499 15 A N 0.011 122.864 122.820 0.055 0.000 2.285 15 A HA -0.052 4.255 4.320 -0.021 0.000 0.214 15 A C 1.497 179.106 177.584 0.042 0.000 1.188 15 A CA 1.840 53.908 52.037 0.052 0.000 0.707 15 A CB -0.824 18.193 19.000 0.028 0.000 0.771 15 A HN 0.903 nan 8.150 nan 0.000 0.488 16 E N -2.357 117.865 120.200 0.036 0.000 2.569 16 E HA 0.435 4.773 4.350 -0.021 0.000 0.205 16 E C 0.826 177.447 176.600 0.036 0.000 1.006 16 E CA 0.384 56.803 56.400 0.031 0.000 0.985 16 E CB -0.282 29.428 29.700 0.017 0.000 1.060 16 E HN 0.582 nan 8.360 nan 0.000 0.460 17 G N 0.840 109.671 108.800 0.052 0.000 2.307 17 G HA2 -0.252 3.695 3.960 -0.021 0.000 0.210 17 G HA3 -0.252 3.695 3.960 -0.021 0.000 0.210 17 G C 0.011 174.945 174.900 0.057 0.000 1.005 17 G CA -0.076 45.057 45.100 0.056 0.000 0.634 17 G HN 0.289 nan 8.290 nan 0.000 0.496 18 L N 1.575 122.826 121.223 0.046 0.000 2.473 18 L HA 0.588 4.915 4.340 -0.021 0.000 0.268 18 L C 1.799 178.703 176.870 0.057 0.000 1.215 18 L CA 2.068 56.933 54.840 0.042 0.000 0.823 18 L CB 0.966 43.041 42.059 0.028 0.000 1.099 18 L HN 1.731 nan 8.230 nan 0.000 0.483 19 G N 1.109 109.949 108.800 0.066 0.000 2.299 19 G HA2 -0.298 3.649 3.960 -0.021 0.000 0.237 19 G HA3 -0.298 3.649 3.960 -0.021 0.000 0.237 19 G C 0.343 175.342 174.900 0.164 0.000 1.027 19 G CA 0.443 45.590 45.100 0.078 0.000 0.619 19 G HN 1.159 nan 8.290 nan 0.000 0.513 20 S N 0.020 115.812 115.700 0.153 0.000 2.589 20 S HA 0.373 4.830 4.470 -0.021 0.000 0.265 20 S C 1.151 175.850 174.600 0.165 0.000 1.342 20 S CA 0.609 58.929 58.200 0.200 0.000 1.005 20 S CB 0.972 64.245 63.200 0.123 0.000 0.909 20 S HN 0.490 nan 8.310 nan 0.000 0.555 21 H N 1.344 120.365 119.070 -0.081 0.000 2.456 21 H HA -0.075 4.468 4.556 -0.021 0.000 0.296 21 H C 1.597 176.739 175.328 -0.310 0.000 1.079 21 H CA 2.025 57.683 56.048 -0.650 0.000 1.322 21 H CB 0.022 29.205 29.762 -0.964 0.000 1.388 21 H HN 0.852 nan 8.280 nan 0.000 0.538 22 E N 0.703 120.882 120.200 -0.035 0.000 2.072 22 E HA -0.106 4.232 4.350 -0.021 0.000 0.191 22 E C 0.808 177.374 176.600 -0.057 0.000 0.985 22 E CA 0.595 56.982 56.400 -0.023 0.000 0.801 22 E CB 0.019 29.732 29.700 0.022 0.000 0.750 22 E HN 0.348 nan 8.360 nan 0.000 0.452 23 R N 1.202 121.683 120.500 -0.031 0.000 3.463 23 R HA 0.386 4.713 4.340 -0.021 0.000 0.303 23 R C -0.216 176.092 176.300 0.013 0.000 1.370 23 R CA -0.417 55.677 56.100 -0.009 0.000 1.524 23 R CB 0.989 31.298 30.300 0.016 0.000 1.389 23 R HN 0.033 nan 8.270 nan 0.000 0.640 24 A N 1.819 124.629 122.820 -0.017 0.000 2.454 24 A HA 0.136 4.443 4.320 -0.021 0.000 0.256 24 A C 0.485 178.116 177.584 0.078 0.000 1.132 24 A CA 0.115 52.191 52.037 0.065 0.000 0.810 24 A CB 0.319 19.356 19.000 0.061 0.000 1.083 24 A HN 0.403 nan 8.150 nan 0.000 0.516 25 I N 0.022 120.657 120.570 0.108 0.000 2.498 25 I HA 0.203 4.360 4.170 -0.021 0.000 0.301 25 I C -0.056 176.137 176.117 0.127 0.000 0.984 25 I CA -0.696 60.660 61.300 0.094 0.000 1.204 25 I CB 1.549 39.603 38.000 0.090 0.000 1.362 25 I HN 0.468 nan 8.210 nan 0.000 0.471 26 K N 5.546 126.006 120.400 0.100 0.000 2.480 26 K HA 0.071 4.378 4.320 -0.021 0.000 0.241 26 K C -0.481 176.199 176.600 0.133 0.000 1.261 26 K CA -0.383 55.969 56.287 0.108 0.000 1.193 26 K CB -1.256 31.278 32.500 0.058 0.000 1.598 26 K HN 0.329 nan 8.250 nan 0.000 0.278 27 Y N 2.188 122.525 120.300 0.062 0.000 2.981 27 Y HA -0.275 4.262 4.550 -0.022 0.000 0.359 27 Y C 1.225 177.159 175.900 0.056 0.000 1.271 27 Y CA 0.981 59.115 58.100 0.057 0.000 1.617 27 Y CB -0.043 38.459 38.460 0.070 0.000 1.154 27 Y HN 0.502 nan 8.280 nan 0.000 0.570 28 L N 4.140 125.142 121.223 -0.369 0.000 4.232 28 L HA -0.496 3.831 4.340 -0.021 0.000 0.415 28 L C 1.099 177.937 176.870 -0.053 0.000 1.168 28 L CA 0.819 55.545 54.840 -0.190 0.000 0.966 28 L CB -1.408 40.617 42.059 -0.057 0.000 2.052 28 L HN 0.958 nan 8.230 nan 0.000 0.887 29 N N 0.591 119.265 118.700 -0.043 0.000 2.681 29 N HA -0.200 4.527 4.740 -0.021 0.000 0.250 29 N C 0.425 175.943 175.510 0.013 0.000 1.133 29 N CA 1.921 54.964 53.050 -0.010 0.000 0.732 29 N CB -0.171 38.299 38.487 -0.028 0.000 1.107 29 N HN 0.832 nan 8.380 nan 0.000 0.559 30 Q N 0.204 120.029 119.800 0.042 0.000 2.235 30 Q HA 0.480 4.808 4.340 -0.021 0.000 0.250 30 Q C -0.587 175.431 176.000 0.029 0.000 0.909 30 Q CA -0.545 55.285 55.803 0.044 0.000 0.910 30 Q CB 1.641 30.435 28.738 0.092 0.000 1.223 30 Q HN 0.076 nan 8.270 nan 0.000 0.432 31 D N 0.747 121.131 120.400 -0.028 0.000 2.502 31 D HA 0.051 4.678 4.640 -0.021 0.000 0.249 31 D C -0.468 175.754 176.300 -0.130 0.000 1.092 31 D CA -0.769 53.204 54.000 -0.045 0.000 0.839 31 D CB 1.035 41.803 40.800 -0.054 0.000 1.264 31 D HN 0.656 nan 8.370 nan 0.000 0.511 32 Y N 4.151 124.301 120.300 -0.251 0.000 2.070 32 Y HA -0.214 4.323 4.550 -0.021 0.000 0.280 32 Y C 1.513 177.179 175.900 -0.390 0.000 1.148 32 Y CA 2.293 60.159 58.100 -0.391 0.000 1.125 32 Y CB -0.050 38.029 38.460 -0.635 0.000 0.975 32 Y HN 0.499 nan 8.280 nan 0.000 0.492 33 E N -0.367 119.517 120.200 -0.527 0.000 2.070 33 E HA -0.203 4.134 4.350 -0.021 0.000 0.197 33 E C 2.168 178.521 176.600 -0.412 0.000 1.004 33 E CA 2.431 58.527 56.400 -0.507 0.000 0.805 33 E CB -0.630 28.916 29.700 -0.257 0.000 0.744 33 E HN 0.468 nan 8.360 nan 0.000 0.451 34 T N 0.727 115.102 114.554 -0.299 0.000 2.698 34 T HA -0.015 4.323 4.350 -0.021 0.000 0.260 34 T C 1.908 176.438 174.700 -0.283 0.000 1.044 34 T CA 0.772 62.732 62.100 -0.233 0.000 1.149 34 T CB -0.340 68.431 68.868 -0.162 0.000 0.864 34 T HN 0.030 nan 8.240 nan 0.000 0.419 35 L N 0.849 121.868 121.223 -0.340 0.000 2.051 35 L HA -0.202 4.125 4.340 -0.021 0.000 0.214 35 L C 2.844 179.404 176.870 -0.515 0.000 1.076 35 L CA 1.574 56.132 54.840 -0.471 0.000 0.758 35 L CB -0.556 41.062 42.059 -0.734 0.000 0.890 35 L HN 0.183 nan 8.230 nan 0.000 0.433 36 R N 0.313 120.445 120.500 -0.613 0.000 2.120 36 R HA -0.144 4.184 4.340 -0.021 0.000 0.234 36 R C 1.778 177.847 176.300 -0.385 0.000 1.123 36 R CA 1.744 57.473 56.100 -0.618 0.000 0.975 36 R CB -0.148 29.631 30.300 -0.868 0.000 0.866 36 R HN 0.555 nan 8.270 nan 0.000 0.446 37 N N -0.258 118.253 118.700 -0.315 0.000 2.402 37 N HA -0.114 4.613 4.740 -0.021 0.000 0.174 37 N C 1.318 176.726 175.510 -0.170 0.000 1.027 37 N CA 0.380 53.299 53.050 -0.218 0.000 0.891 37 N CB 0.158 38.531 38.487 -0.189 0.000 1.016 37 N HN 0.306 nan 8.380 nan 0.000 0.439 38 E N 0.560 120.654 120.200 -0.176 0.000 2.516 38 E HA -0.092 4.246 4.350 -0.021 0.000 0.199 38 E C 0.954 177.499 176.600 -0.093 0.000 1.069 38 E CA 0.550 56.880 56.400 -0.117 0.000 0.876 38 E CB 0.059 29.698 29.700 -0.101 0.000 0.843 38 E HN 0.356 nan 8.360 nan 0.000 0.530 39 C N -0.218 119.006 119.300 -0.126 0.000 2.469 39 C HA 0.227 4.674 4.460 -0.021 0.000 0.309 39 C C 2.442 177.380 174.990 -0.085 0.000 1.385 39 C CA -0.294 58.671 59.018 -0.088 0.000 1.890 39 C CB -0.755 26.911 27.740 -0.124 0.000 2.245 39 C HN 0.452 nan 8.230 nan 0.000 0.530 40 L N 0.852 122.000 121.223 -0.125 0.000 1.963 40 L HA -0.196 4.132 4.340 -0.021 0.000 0.220 40 L C 1.231 178.061 176.870 -0.067 0.000 1.076 40 L CA 1.730 56.510 54.840 -0.100 0.000 0.772 40 L CB -0.751 41.233 42.059 -0.124 0.000 0.892 40 L HN 0.399 nan 8.230 nan 0.000 0.435 41 E N -0.415 119.744 120.200 -0.069 0.000 2.773 41 E HA 0.170 4.507 4.350 -0.021 0.000 0.302 41 E C 0.388 176.964 176.600 -0.040 0.000 1.574 41 E CA 0.417 56.786 56.400 -0.052 0.000 1.775 41 E CB 0.130 29.796 29.700 -0.057 0.000 1.413 41 E HN 0.422 nan 8.360 nan 0.000 0.471 42 A N -0.167 122.634 122.820 -0.031 0.000 2.487 42 A HA 0.395 4.703 4.320 -0.021 0.000 0.192 42 A C 1.266 178.844 177.584 -0.010 0.000 1.709 42 A CA -0.126 51.899 52.037 -0.020 0.000 1.105 42 A CB -0.407 18.581 19.000 -0.020 0.000 1.081 42 A HN 0.401 nan 8.150 nan 0.000 0.445 43 G N -0.307 108.488 108.800 -0.008 0.000 2.249 43 G HA2 0.205 4.153 3.960 -0.021 0.000 0.273 43 G HA3 0.205 4.153 3.960 -0.021 0.000 0.273 43 G C 0.331 175.238 174.900 0.012 0.000 1.036 43 G CA 0.832 45.934 45.100 0.004 0.000 0.824 43 G HN 2.093 nan 8.290 nan 0.000 0.504 44 A N -0.386 122.439 122.820 0.008 0.000 2.371 44 A HA 0.829 5.136 4.320 -0.021 0.000 0.311 44 A C 0.129 177.728 177.584 0.025 0.000 1.068 44 A CA -0.803 51.247 52.037 0.020 0.000 0.744 44 A CB 1.162 20.174 19.000 0.020 0.000 1.239 44 A HN 0.848 nan 8.150 nan 0.000 0.435 45 L N 1.815 123.064 121.223 0.043 0.000 2.397 45 L HA 0.329 4.656 4.340 -0.021 0.000 0.271 45 L C 0.220 177.131 176.870 0.067 0.000 1.148 45 L CA -0.524 54.341 54.840 0.041 0.000 0.825 45 L CB 0.229 42.338 42.059 0.083 0.000 1.117 45 L HN 0.702 nan 8.230 nan 0.000 0.456 46 F N 3.071 122.943 119.950 -0.131 0.000 2.623 46 F HA -0.006 4.508 4.527 -0.021 0.000 0.383 46 F C 0.335 176.110 175.800 -0.041 0.000 1.077 46 F CA 0.089 58.031 58.000 -0.097 0.000 1.268 46 F CB 0.175 39.097 39.000 -0.130 0.000 1.053 46 F HN 0.435 nan 8.300 nan 0.000 0.571 47 Q N 4.819 124.113 119.800 -0.842 0.000 2.333 47 Q HA 0.121 4.448 4.340 -0.021 0.000 0.268 47 Q C -0.909 174.405 176.000 -1.145 0.000 1.007 47 Q CA -0.683 54.654 55.803 -0.777 0.000 0.810 47 Q CB 1.538 30.020 28.738 -0.426 0.000 1.264 47 Q HN 0.546 nan 8.270 nan 0.000 0.452 48 D N 4.721 124.665 120.400 -0.759 0.000 2.349 48 D HA 0.032 4.660 4.640 -0.021 0.000 0.266 48 D C -1.425 174.773 176.300 -0.170 0.000 1.293 48 D CA -1.347 52.420 54.000 -0.389 0.000 0.926 48 D CB 1.107 41.932 40.800 0.042 0.000 1.090 48 D HN 0.220 nan 8.370 nan 0.000 0.502 49 P HA -0.027 nan 4.420 nan 0.000 0.222 49 P C 0.765 178.089 177.300 0.040 0.000 1.153 49 P CA 0.461 63.542 63.100 -0.032 0.000 0.798 49 P CB 0.397 32.110 31.700 0.022 0.000 0.796 50 A N -1.223 121.673 122.820 0.128 0.000 1.984 50 A HA 0.055 4.363 4.320 -0.021 0.000 0.214 50 A C 1.180 178.894 177.584 0.216 0.000 1.173 50 A CA 0.493 52.624 52.037 0.158 0.000 0.673 50 A CB -0.903 18.212 19.000 0.191 0.000 0.830 50 A HN 0.156 nan 8.150 nan 0.000 0.453 51 F N 0.686 120.663 119.950 0.044 0.000 2.893 51 F HA 0.427 4.941 4.527 -0.021 0.000 0.340 51 F C -2.793 172.959 175.800 -0.079 0.000 1.300 51 F CA -3.412 54.606 58.000 0.029 0.000 1.227 51 F CB 0.237 39.291 39.000 0.091 0.000 1.044 51 F HN -0.061 nan 8.300 nan 0.000 0.512 52 P HA -0.059 nan 4.420 nan 0.000 0.266 52 P C -2.145 174.771 177.300 -0.640 0.000 1.186 52 P CA -0.481 62.412 63.100 -0.345 0.000 0.767 52 P CB 0.310 31.872 31.700 -0.230 0.000 0.820 53 P HA -0.038 nan 4.420 nan 0.000 0.269 53 P C 0.313 176.926 177.300 -1.144 0.000 1.601 53 P CA 0.198 62.443 63.100 -1.425 0.000 0.831 53 P CB -0.270 30.797 31.700 -1.055 0.000 1.688 54 V N -2.008 117.539 119.914 -0.613 0.000 5.164 54 V HA 0.218 4.325 4.120 -0.021 0.000 0.266 54 V C 1.948 178.040 176.094 -0.003 0.000 1.222 54 V CA 0.390 62.540 62.300 -0.250 0.000 0.667 54 V CB -1.289 30.445 31.823 -0.148 0.000 1.200 54 V HN -0.003 nan 8.190 nan 0.000 0.347 55 S N -1.103 114.646 115.700 0.082 0.000 2.514 55 S HA 0.136 4.593 4.470 -0.021 0.000 0.223 55 S C 1.914 176.606 174.600 0.154 0.000 1.046 55 S CA 0.823 59.131 58.200 0.181 0.000 0.914 55 S CB -0.622 62.673 63.200 0.159 0.000 0.807 55 S HN 1.038 nan 8.310 nan 0.000 0.497 56 H N -0.159 118.971 119.070 0.101 0.000 2.521 56 H HA 0.189 4.733 4.556 -0.021 0.000 0.286 56 H C 2.235 177.671 175.328 0.180 0.000 1.034 56 H CA 1.669 57.798 56.048 0.137 0.000 1.278 56 H CB -0.596 29.230 29.762 0.106 0.000 1.386 56 H HN 0.403 nan 8.280 nan 0.000 0.567 57 S N -0.535 115.245 115.700 0.134 0.000 2.522 57 S HA 0.117 4.575 4.470 -0.021 0.000 0.227 57 S C 1.941 176.764 174.600 0.373 0.000 0.986 57 S CA 0.368 58.643 58.200 0.125 0.000 0.929 57 S CB -0.129 62.874 63.200 -0.329 0.000 0.769 57 S HN 0.660 nan 8.310 nan 0.000 0.529 58 L N -0.099 121.310 121.223 0.310 0.000 2.446 58 L HA 0.234 4.561 4.340 -0.021 0.000 0.219 58 L C 1.465 178.504 176.870 0.282 0.000 1.116 58 L CA 0.539 55.535 54.840 0.260 0.000 0.844 58 L CB 0.035 42.170 42.059 0.128 0.000 0.970 58 L HN 0.490 nan 8.230 nan 0.000 0.457 59 G N -0.500 108.479 108.800 0.299 0.000 2.419 59 G HA2 -0.049 3.898 3.960 -0.021 0.000 0.061 59 G HA3 -0.049 3.898 3.960 -0.021 0.000 0.061 59 G C -0.129 175.039 174.900 0.446 0.000 0.907 59 G CA 0.207 45.511 45.100 0.340 0.000 1.174 59 G HN 0.165 nan 8.290 nan 0.000 0.468 60 F N -2.318 117.695 119.950 0.105 0.000 3.247 60 F HA 0.571 5.085 4.527 -0.022 0.000 0.420 60 F C -0.304 175.539 175.800 0.071 0.000 1.008 60 F CA 1.271 59.319 58.000 0.080 0.000 0.631 60 F CB -0.265 38.775 39.000 0.066 0.000 1.816 60 F HN 1.562 nan 8.300 nan 0.000 0.449 61 K N 1.258 121.618 120.400 -0.068 0.000 2.545 61 K HA 0.583 4.890 4.320 -0.021 0.000 0.287 61 K C 0.142 176.654 176.600 -0.148 0.000 1.074 61 K CA 0.172 56.404 56.287 -0.092 0.000 1.048 61 K CB 0.021 32.471 32.500 -0.084 0.000 1.384 61 K HN 0.598 nan 8.250 nan 0.000 0.440 62 E N -0.650 119.514 120.200 -0.060 0.000 4.304 62 E HA -0.143 4.195 4.350 -0.021 0.000 0.400 62 E C 0.294 176.883 176.600 -0.018 0.000 0.572 62 E CA 1.783 58.154 56.400 -0.049 0.000 1.465 62 E CB -1.251 28.402 29.700 -0.078 0.000 1.881 62 E HN 1.734 nan 8.360 nan 0.000 0.353 63 L N -2.628 118.594 121.223 -0.002 0.000 5.241 63 L HA 0.414 4.741 4.340 -0.021 0.000 0.532 63 L C 0.688 177.610 176.870 0.087 0.000 0.806 63 L CA 0.897 55.767 54.840 0.051 0.000 2.131 63 L CB -0.097 42.011 42.059 0.083 0.000 1.673 63 L HN 0.179 nan 8.230 nan 0.000 0.564 64 G N 0.225 109.078 108.800 0.088 0.000 2.529 64 G HA2 0.404 4.351 3.960 -0.021 0.000 0.220 64 G HA3 0.404 4.351 3.960 -0.021 0.000 0.220 64 G C -2.463 172.514 174.900 0.127 0.000 1.976 64 G CA 0.274 45.461 45.100 0.145 0.000 0.789 64 G HN 0.211 nan 8.290 nan 0.000 0.695 65 P HA 0.174 nan 4.420 nan 0.000 0.290 65 P C 0.190 177.534 177.300 0.073 0.000 1.276 65 P CA -0.164 62.999 63.100 0.105 0.000 0.808 65 P CB 2.201 33.965 31.700 0.107 0.000 0.966 66 N N 1.549 120.290 118.700 0.069 0.000 2.255 66 N HA -0.269 4.458 4.740 -0.021 0.000 0.167 66 N C -0.515 175.004 175.510 0.014 0.000 0.511 66 N CA 1.925 54.986 53.050 0.019 0.000 1.462 66 N CB -1.468 37.017 38.487 -0.003 0.000 1.370 66 N HN 0.507 nan 8.380 nan 0.000 0.407 67 S N -0.149 115.553 115.700 0.003 0.000 4.401 67 S HA -0.157 4.300 4.470 -0.021 0.000 0.266 67 S C 1.284 175.889 174.600 0.008 0.000 0.728 67 S CA 0.827 59.029 58.200 0.004 0.000 1.273 67 S CB -0.411 62.801 63.200 0.021 0.000 2.142 67 S HN 0.700 nan 8.310 nan 0.000 0.362 68 S N 3.914 119.601 115.700 -0.023 0.000 2.383 68 S HA -0.195 4.262 4.470 -0.021 0.000 0.227 68 S C 1.716 176.347 174.600 0.051 0.000 1.026 68 S CA 1.320 59.516 58.200 -0.007 0.000 0.981 68 S CB -0.309 62.871 63.200 -0.034 0.000 0.818 68 S HN 0.808 nan 8.310 nan 0.000 0.472 69 K N 1.941 122.353 120.400 0.020 0.000 2.091 69 K HA -0.244 4.064 4.320 -0.021 0.000 0.225 69 K C 0.705 177.325 176.600 0.034 0.000 1.028 69 K CA 2.443 58.740 56.287 0.016 0.000 0.965 69 K CB -1.368 31.137 32.500 0.009 0.000 0.786 69 K HN 0.628 nan 8.250 nan 0.000 0.459 70 T N -0.833 113.756 114.554 0.058 0.000 3.783 70 T HA 0.206 4.543 4.350 -0.021 0.000 0.262 70 T C -0.755 174.022 174.700 0.129 0.000 1.381 70 T CA -0.579 61.559 62.100 0.064 0.000 1.155 70 T CB -0.325 68.585 68.868 0.071 0.000 1.256 70 T HN 0.305 nan 8.240 nan 0.000 0.807 71 Y N 0.443 120.726 120.300 -0.030 0.000 2.406 71 Y HA 0.553 5.090 4.550 -0.021 0.000 0.340 71 Y C 0.668 176.551 175.900 -0.029 0.000 0.975 71 Y CA -0.474 57.615 58.100 -0.017 0.000 1.056 71 Y CB 1.579 40.035 38.460 -0.007 0.000 1.210 71 Y HN 0.522 nan 8.280 nan 0.000 0.448 72 G N 4.589 113.185 108.800 -0.340 0.000 2.134 72 G HA2 -0.239 3.709 3.960 -0.021 0.000 0.209 72 G HA3 -0.239 3.709 3.960 -0.021 0.000 0.209 72 G C -0.412 174.362 174.900 -0.211 0.000 0.993 72 G CA -0.185 44.667 45.100 -0.413 0.000 0.669 72 G HN 0.987 nan 8.290 nan 0.000 0.519 73 I N -0.155 120.316 120.570 -0.164 0.000 2.618 73 I HA 0.541 4.699 4.170 -0.021 0.000 0.284 73 I C 0.413 176.435 176.117 -0.159 0.000 1.146 73 I CA -0.723 60.459 61.300 -0.197 0.000 1.425 73 I CB 0.707 38.538 38.000 -0.282 0.000 1.383 73 I HN 0.298 nan 8.210 nan 0.000 0.562 74 K N 5.296 125.601 120.400 -0.158 0.000 2.579 74 K HA 0.300 4.607 4.320 -0.021 0.000 0.250 74 K C -1.772 174.808 176.600 -0.034 0.000 0.952 74 K CA -0.521 55.737 56.287 -0.048 0.000 0.857 74 K CB 0.470 32.953 32.500 -0.028 0.000 1.123 74 K HN 0.669 nan 8.250 nan 0.000 0.433 75 W N 3.674 124.974 121.300 -0.000 0.000 2.308 75 W HA 0.167 4.814 4.660 -0.022 0.000 0.324 75 W C 0.440 176.981 176.519 0.035 0.000 1.387 75 W CA 0.134 57.491 57.345 0.021 0.000 1.250 75 W CB 0.635 30.098 29.460 0.005 0.000 1.257 75 W HN 0.293 nan 8.180 nan 0.000 0.554 76 K N 2.742 123.289 120.400 0.246 0.000 2.495 76 K HA 0.524 4.831 4.320 -0.021 0.000 0.268 76 K C -0.512 176.214 176.600 0.209 0.000 1.008 76 K CA -1.429 54.972 56.287 0.190 0.000 0.882 76 K CB 2.198 34.769 32.500 0.118 0.000 1.443 76 K HN 0.366 nan 8.250 nan 0.000 0.447 77 R N 0.726 121.330 120.500 0.172 0.000 2.573 77 R HA 0.262 4.590 4.340 -0.021 0.000 0.272 77 R C -1.582 174.748 176.300 0.051 0.000 1.009 77 R CA -1.809 54.401 56.100 0.183 0.000 1.059 77 R CB 0.481 30.922 30.300 0.236 0.000 1.112 77 R HN 0.219 nan 8.270 nan 0.000 0.517 78 P HA -0.207 nan 4.420 nan 0.000 0.211 78 P C 1.187 178.277 177.300 -0.349 0.000 1.179 78 P CA 1.839 64.644 63.100 -0.491 0.000 0.910 78 P CB -0.287 30.441 31.700 -1.620 0.000 0.785 79 T N -1.923 112.426 114.554 -0.342 0.000 2.882 79 T HA -0.224 4.113 4.350 -0.021 0.000 0.268 79 T C 1.371 176.018 174.700 -0.088 0.000 1.104 79 T CA 1.352 63.325 62.100 -0.211 0.000 1.118 79 T CB -1.107 67.661 68.868 -0.167 0.000 0.831 79 T HN 0.284 nan 8.240 nan 0.000 0.529 80 E N 1.137 121.317 120.200 -0.034 0.000 2.476 80 E HA 0.130 4.467 4.350 -0.021 0.000 0.191 80 E C 0.723 177.330 176.600 0.011 0.000 1.064 80 E CA 0.134 56.539 56.400 0.009 0.000 0.866 80 E CB 0.113 29.842 29.700 0.048 0.000 0.952 80 E HN 0.632 nan 8.360 nan 0.000 0.492 81 L N -3.265 117.957 121.223 -0.001 0.000 2.977 81 L HA 0.406 4.734 4.340 -0.021 0.000 0.338 81 L C -0.622 176.279 176.870 0.052 0.000 1.291 81 L CA -0.236 54.623 54.840 0.031 0.000 0.747 81 L CB -0.797 41.295 42.059 0.055 0.000 1.160 81 L HN -0.104 nan 8.230 nan 0.000 0.567 82 L N 0.062 121.295 121.223 0.017 0.000 2.811 82 L HA 0.599 4.926 4.340 -0.021 0.000 0.251 82 L C 0.732 177.599 176.870 -0.006 0.000 0.971 82 L CA 0.102 54.967 54.840 0.042 0.000 0.990 82 L CB 0.769 42.883 42.059 0.092 0.000 1.320 82 L HN 0.334 nan 8.230 nan 0.000 0.473 83 S N 2.583 118.288 115.700 0.008 0.000 3.219 83 S HA 0.299 4.757 4.470 -0.021 0.000 0.278 83 S C 0.641 175.244 174.600 0.005 0.000 1.024 83 S CA 0.753 58.953 58.200 0.001 0.000 1.528 83 S CB -0.690 62.515 63.200 0.008 0.000 1.548 83 S HN 2.398 nan 8.310 nan 0.000 0.596 84 N N 0.869 119.559 118.700 -0.017 0.000 3.848 84 N HA -0.081 4.646 4.740 -0.021 0.000 0.271 84 N C -3.173 172.336 175.510 -0.001 0.000 0.986 84 N CA -0.353 52.694 53.050 -0.005 0.000 0.684 84 N CB -1.228 37.273 38.487 0.024 0.000 1.328 84 N HN 0.367 nan 8.380 nan 0.000 0.605 85 P HA 0.065 nan 4.420 nan 0.000 0.266 85 P C -0.449 176.895 177.300 0.073 0.000 1.195 85 P CA 0.358 63.306 63.100 -0.254 0.000 0.768 85 P CB 0.427 31.443 31.700 -1.139 0.000 0.838 86 Q N 2.269 122.239 119.800 0.284 0.000 2.290 86 Q HA 0.179 4.506 4.340 -0.021 0.000 0.259 86 Q C 0.254 176.647 176.000 0.655 0.000 0.941 86 Q CA -0.401 55.662 55.803 0.433 0.000 0.912 86 Q CB 1.254 30.183 28.738 0.317 0.000 1.244 86 Q HN 0.492 nan 8.270 nan 0.000 0.441 87 F N 4.053 124.359 119.950 0.594 0.000 2.094 87 F HA 0.134 4.649 4.527 -0.021 0.000 0.291 87 F C 0.565 176.612 175.800 0.411 0.000 1.109 87 F CA 0.800 59.101 58.000 0.501 0.000 1.221 87 F CB 0.510 39.484 39.000 -0.044 0.000 1.014 87 F HN 0.545 nan 8.300 nan 0.000 0.473 88 I N 0.614 121.372 120.570 0.313 0.000 2.802 88 I HA 0.482 4.639 4.170 -0.021 0.000 0.298 88 I C -1.775 174.467 176.117 0.208 0.000 1.176 88 I CA -0.905 60.492 61.300 0.162 0.000 1.025 88 I CB 2.421 40.381 38.000 -0.066 0.000 1.243 88 I HN -0.233 nan 8.210 nan 0.000 0.424 89 V N 4.764 124.775 119.914 0.162 0.000 2.670 89 V HA 0.331 4.438 4.120 -0.021 0.000 0.258 89 V C -0.448 175.701 176.094 0.092 0.000 0.906 89 V CA -0.544 61.834 62.300 0.130 0.000 0.887 89 V CB 0.209 32.113 31.823 0.134 0.000 1.059 89 V HN 0.751 nan 8.190 nan 0.000 0.484 90 D N 2.439 122.884 120.400 0.074 0.000 2.182 90 D HA 0.530 5.157 4.640 -0.021 0.000 0.284 90 D C 1.734 178.060 176.300 0.043 0.000 1.152 90 D CA 1.580 55.610 54.000 0.050 0.000 1.032 90 D CB 0.234 41.051 40.800 0.030 0.000 1.140 90 D HN 0.769 nan 8.370 nan 0.000 0.505 91 G N -1.086 107.735 108.800 0.035 0.000 2.184 91 G HA2 -0.146 3.801 3.960 -0.021 0.000 0.264 91 G HA3 -0.146 3.801 3.960 -0.021 0.000 0.264 91 G C 0.395 175.303 174.900 0.013 0.000 0.975 91 G CA 0.759 45.873 45.100 0.022 0.000 0.642 91 G HN 0.662 nan 8.290 nan 0.000 0.536 92 A N -0.450 122.375 122.820 0.009 0.000 2.332 92 A HA 0.761 5.069 4.320 -0.021 0.000 0.258 92 A C 1.550 179.125 177.584 -0.015 0.000 1.087 92 A CA 1.317 53.354 52.037 0.001 0.000 0.802 92 A CB 0.474 19.474 19.000 0.001 0.000 1.042 92 A HN 1.324 nan 8.150 nan 0.000 0.489 93 T N -0.389 114.154 114.554 -0.019 0.000 3.053 93 T HA 0.188 4.525 4.350 -0.021 0.000 0.236 93 T C 1.303 175.971 174.700 -0.053 0.000 0.996 93 T CA 0.367 62.450 62.100 -0.029 0.000 1.185 93 T CB -0.167 68.693 68.868 -0.013 0.000 0.892 93 T HN 0.596 nan 8.240 nan 0.000 0.432 94 R N 0.872 121.342 120.500 -0.050 0.000 2.696 94 R HA 0.657 4.984 4.340 -0.021 0.000 0.218 94 R C -0.601 175.627 176.300 -0.120 0.000 1.202 94 R CA -0.085 55.975 56.100 -0.068 0.000 1.043 94 R CB 0.175 30.466 30.300 -0.016 0.000 1.292 94 R HN 0.356 nan 8.270 nan 0.000 0.521 95 T N 0.075 114.532 114.554 -0.162 0.000 3.343 95 T HA 0.111 4.449 4.350 -0.021 0.000 0.383 95 T C -1.740 172.832 174.700 -0.214 0.000 1.615 95 T CA -0.765 61.184 62.100 -0.252 0.000 1.153 95 T CB 1.301 69.873 68.868 -0.493 0.000 1.434 95 T HN 0.643 nan 8.240 nan 0.000 0.476 96 D N 0.855 121.165 120.400 -0.150 0.000 2.571 96 D HA 0.333 4.960 4.640 -0.021 0.000 0.239 96 D C 0.789 177.051 176.300 -0.064 0.000 1.267 96 D CA -0.498 53.480 54.000 -0.036 0.000 0.823 96 D CB 0.539 41.308 40.800 -0.053 0.000 1.056 96 D HN 0.514 nan 8.370 nan 0.000 0.494 97 I N 0.381 120.861 120.570 -0.149 0.000 3.393 97 I HA 0.202 4.359 4.170 -0.021 0.000 0.221 97 I C -0.270 175.780 176.117 -0.111 0.000 1.310 97 I CA -0.024 61.146 61.300 -0.216 0.000 0.936 97 I CB 0.937 38.731 38.000 -0.343 0.000 1.610 97 I HN 0.326 nan 8.210 nan 0.000 0.896 98 C N 2.180 121.339 119.300 -0.234 0.000 3.232 98 C HA 0.398 4.845 4.460 -0.021 0.000 0.452 98 C C 0.010 174.820 174.990 -0.301 0.000 0.920 98 C CA -0.038 58.838 59.018 -0.237 0.000 1.154 98 C CB -0.086 27.442 27.740 -0.354 0.000 1.597 98 C HN 1.157 nan 8.230 nan 0.000 0.649 99 Q N 2.788 122.518 119.800 -0.116 0.000 2.498 99 Q HA 0.360 4.687 4.340 -0.021 0.000 0.299 99 Q C 1.205 177.190 176.000 -0.024 0.000 1.178 99 Q CA 1.085 56.850 55.803 -0.064 0.000 0.997 99 Q CB -0.162 28.566 28.738 -0.017 0.000 1.306 99 Q HN 2.674 nan 8.270 nan 0.000 0.468 100 G N 0.127 108.948 108.800 0.036 0.000 2.148 100 G HA2 0.355 4.303 3.960 -0.021 0.000 0.275 100 G HA3 0.355 4.303 3.960 -0.021 0.000 0.275 100 G C 1.194 176.029 174.900 -0.108 0.000 0.979 100 G CA 0.465 45.558 45.100 -0.013 0.000 1.154 100 G HN 1.903 nan 8.290 nan 0.000 0.377 101 A N 2.564 125.351 122.820 -0.055 0.000 2.325 101 A HA 0.015 4.322 4.320 -0.021 0.000 0.212 101 A C 1.569 179.008 177.584 -0.242 0.000 1.222 101 A CA 1.483 53.449 52.037 -0.119 0.000 0.718 101 A CB -0.098 18.850 19.000 -0.087 0.000 0.764 101 A HN 1.308 nan 8.150 nan 0.000 0.503 102 L N -3.224 117.734 121.223 -0.443 0.000 3.766 102 L HA 0.360 4.687 4.340 -0.021 0.000 0.370 102 L C 0.461 176.962 176.870 -0.616 0.000 1.320 102 L CA 0.055 54.632 54.840 -0.438 0.000 1.098 102 L CB 0.059 41.833 42.059 -0.475 0.000 1.405 102 L HN 0.200 nan 8.230 nan 0.000 0.608 103 G N -0.765 107.719 108.800 -0.526 0.000 2.437 103 G HA2 0.372 4.319 3.960 -0.021 0.000 0.319 103 G HA3 0.372 4.319 3.960 -0.021 0.000 0.319 103 G C -1.404 173.537 174.900 0.067 0.000 1.158 103 G CA -0.311 44.732 45.100 -0.095 0.000 0.899 103 G HN 0.074 nan 8.290 nan 0.000 0.502 104 D N -0.324 120.193 120.400 0.195 0.000 2.317 104 D HA 0.277 4.905 4.640 -0.021 0.000 0.234 104 D C 1.836 178.204 176.300 0.112 0.000 1.112 104 D CA 0.083 54.223 54.000 0.234 0.000 0.840 104 D CB 1.490 42.572 40.800 0.469 0.000 1.078 104 D HN 0.230 nan 8.370 nan 0.000 0.486 105 S N 5.080 120.834 115.700 0.090 0.000 2.392 105 S HA -0.209 4.248 4.470 -0.021 0.000 0.232 105 S C 2.180 176.720 174.600 -0.100 0.000 1.041 105 S CA 1.150 59.349 58.200 -0.001 0.000 1.026 105 S CB -0.732 62.508 63.200 0.067 0.000 0.845 105 S HN 0.756 nan 8.310 nan 0.000 0.465 106 W N 1.785 123.098 121.300 0.021 0.000 2.256 106 W HA -0.305 4.343 4.660 -0.021 0.000 0.341 106 W C 1.870 178.391 176.519 0.003 0.000 1.372 106 W CA 1.300 58.651 57.345 0.009 0.000 1.342 106 W CB -1.845 27.616 29.460 0.002 0.000 1.107 106 W HN 0.425 nan 8.180 nan 0.000 0.474 107 L N 1.283 121.888 121.223 -1.031 0.000 2.042 107 L HA -0.180 4.147 4.340 -0.021 0.000 0.210 107 L C 2.656 179.250 176.870 -0.460 0.000 1.076 107 L CA 2.079 56.332 54.840 -0.978 0.000 0.749 107 L CB -1.482 39.761 42.059 -1.360 0.000 0.893 107 L HN 0.030 nan 8.230 nan 0.000 0.432 108 L N 0.179 121.174 121.223 -0.379 0.000 2.184 108 L HA -0.403 3.924 4.340 -0.021 0.000 0.236 108 L C 2.533 179.322 176.870 -0.134 0.000 1.120 108 L CA 2.596 57.315 54.840 -0.202 0.000 0.844 108 L CB -1.646 40.336 42.059 -0.128 0.000 0.932 108 L HN 0.457 nan 8.230 nan 0.000 0.450 109 A N -1.856 120.918 122.820 -0.076 0.000 1.930 109 A HA 0.002 4.309 4.320 -0.021 0.000 0.217 109 A C 2.387 179.878 177.584 -0.155 0.000 1.175 109 A CA 1.995 54.039 52.037 0.012 0.000 0.627 109 A CB -0.930 18.141 19.000 0.118 0.000 0.815 109 A HN 0.621 nan 8.150 nan 0.000 0.443 110 A N -0.004 122.658 122.820 -0.264 0.000 1.902 110 A HA -0.106 4.202 4.320 -0.021 0.000 0.217 110 A C 2.143 179.493 177.584 -0.390 0.000 1.181 110 A CA 1.577 53.267 52.037 -0.577 0.000 0.623 110 A CB -0.554 18.159 19.000 -0.478 0.000 0.818 110 A HN 0.494 nan 8.150 nan 0.000 0.443 111 I N -0.556 119.880 120.570 -0.224 0.000 2.163 111 I HA -0.252 3.906 4.170 -0.021 0.000 0.240 111 I C 2.995 178.962 176.117 -0.251 0.000 1.081 111 I CA 1.063 62.222 61.300 -0.234 0.000 1.353 111 I CB -0.327 37.482 38.000 -0.317 0.000 1.054 111 I HN 0.366 nan 8.210 nan 0.000 0.407 112 A N -0.147 122.483 122.820 -0.318 0.000 1.933 112 A HA -0.169 4.138 4.320 -0.021 0.000 0.218 112 A C 2.197 179.595 177.584 -0.310 0.000 1.175 112 A CA 1.822 53.611 52.037 -0.412 0.000 0.628 112 A CB -0.645 17.976 19.000 -0.630 0.000 0.814 112 A HN 0.404 nan 8.150 nan 0.000 0.444 113 S N -0.334 115.231 115.700 -0.226 0.000 2.803 113 S HA 0.201 4.659 4.470 -0.021 0.000 0.226 113 S C 1.215 175.773 174.600 -0.070 0.000 0.962 113 S CA 0.275 58.416 58.200 -0.098 0.000 0.968 113 S CB -0.236 63.006 63.200 0.069 0.000 0.786 113 S HN 0.493 nan 8.310 nan 0.000 0.527 114 L N 0.244 121.394 121.223 -0.122 0.000 2.435 114 L HA 0.009 4.337 4.340 -0.021 0.000 0.195 114 L C 2.285 179.081 176.870 -0.125 0.000 1.072 114 L CA 0.763 55.542 54.840 -0.101 0.000 0.833 114 L CB -0.922 41.068 42.059 -0.116 0.000 1.081 114 L HN 0.232 nan 8.230 nan 0.000 0.485 115 T N 1.605 116.090 114.554 -0.114 0.000 2.751 115 T HA -0.243 4.095 4.350 -0.021 0.000 0.268 115 T C 1.838 176.469 174.700 -0.114 0.000 1.045 115 T CA 1.606 63.632 62.100 -0.123 0.000 1.142 115 T CB -0.614 68.217 68.868 -0.061 0.000 0.851 115 T HN 0.208 nan 8.240 nan 0.000 0.474 116 L N 0.671 121.832 121.223 -0.105 0.000 2.043 116 L HA -0.044 4.283 4.340 -0.021 0.000 0.212 116 L C 1.362 178.194 176.870 -0.062 0.000 1.075 116 L CA 0.937 55.730 54.840 -0.077 0.000 0.752 116 L CB -0.825 41.198 42.059 -0.061 0.000 0.891 116 L HN 0.233 nan 8.230 nan 0.000 0.432 117 N N 0.059 118.721 118.700 -0.063 0.000 2.417 117 N HA 0.090 4.817 4.740 -0.021 0.000 0.274 117 N C 0.311 175.759 175.510 -0.103 0.000 0.987 117 N CA -0.218 52.796 53.050 -0.059 0.000 0.912 117 N CB 1.989 40.460 38.487 -0.027 0.000 1.177 117 N HN -0.019 nan 8.380 nan 0.000 0.490 118 E N 1.410 121.563 120.200 -0.079 0.000 2.072 118 E HA -0.032 4.306 4.350 -0.021 0.000 0.190 118 E C 1.232 177.783 176.600 -0.082 0.000 0.982 118 E CA 1.509 57.856 56.400 -0.087 0.000 0.803 118 E CB -0.166 29.557 29.700 0.038 0.000 0.755 118 E HN 0.621 nan 8.360 nan 0.000 0.453 119 T N 0.621 115.162 114.554 -0.021 0.000 2.821 119 T HA -0.046 4.292 4.350 -0.021 0.000 0.267 119 T C 1.860 176.503 174.700 -0.094 0.000 1.046 119 T CA 0.792 62.887 62.100 -0.008 0.000 1.139 119 T CB -0.210 68.655 68.868 -0.006 0.000 0.871 119 T HN 0.061 nan 8.240 nan 0.000 0.454 120 I N 0.812 121.317 120.570 -0.108 0.000 2.252 120 I HA -0.095 4.063 4.170 -0.021 0.000 0.245 120 I C 2.340 178.349 176.117 -0.181 0.000 1.102 120 I CA 0.766 61.999 61.300 -0.111 0.000 1.385 120 I CB -0.218 37.758 38.000 -0.039 0.000 1.064 120 I HN 0.219 nan 8.210 nan 0.000 0.414 121 L N 0.448 121.491 121.223 -0.300 0.000 2.017 121 L HA -0.246 4.081 4.340 -0.021 0.000 0.208 121 L C 2.475 178.955 176.870 -0.651 0.000 1.073 121 L CA 2.109 56.654 54.840 -0.493 0.000 0.745 121 L CB -1.033 40.637 42.059 -0.648 0.000 0.894 121 L HN 0.386 nan 8.230 nan 0.000 0.432 122 H N -0.311 118.530 119.070 -0.381 0.000 2.559 122 H HA -0.058 4.486 4.556 -0.021 0.000 0.273 122 H C 2.136 177.217 175.328 -0.410 0.000 1.000 122 H CA 0.530 56.249 56.048 -0.549 0.000 1.195 122 H CB -0.118 29.061 29.762 -0.970 0.000 1.368 122 H HN 0.353 nan 8.280 nan 0.000 0.592 123 R N 0.398 120.776 120.500 -0.203 0.000 2.193 123 R HA -0.054 4.273 4.340 -0.021 0.000 0.229 123 R C 1.357 177.670 176.300 0.023 0.000 1.110 123 R CA 0.733 56.740 56.100 -0.155 0.000 0.988 123 R CB 0.359 30.486 30.300 -0.287 0.000 0.871 123 R HN 0.061 nan 8.270 nan 0.000 0.458 124 V N -1.385 118.498 119.914 -0.052 0.000 3.473 124 V HA 0.134 4.242 4.120 -0.021 0.000 0.253 124 V C -0.287 175.810 176.094 0.004 0.000 1.340 124 V CA 0.100 62.427 62.300 0.046 0.000 1.103 124 V CB 1.881 33.647 31.823 -0.094 0.000 0.881 124 V HN -0.132 nan 8.190 nan 0.000 0.451 125 V N 4.473 124.308 119.914 -0.132 0.000 2.276 125 V HA 0.363 4.471 4.120 -0.021 0.000 0.268 125 V C -2.506 173.465 176.094 -0.205 0.000 1.032 125 V CA -1.693 60.531 62.300 -0.127 0.000 0.810 125 V CB 1.287 32.976 31.823 -0.223 0.000 1.060 125 V HN 0.265 nan 8.190 nan 0.000 0.446 126 P HA 0.201 nan 4.420 nan 0.000 0.275 126 P C -0.531 176.660 177.300 -0.181 0.000 1.228 126 P CA -0.099 62.817 63.100 -0.308 0.000 0.786 126 P CB 0.943 32.476 31.700 -0.278 0.000 0.927 127 Y N 0.099 120.348 120.300 -0.086 0.000 2.258 127 Y HA 0.358 4.896 4.550 -0.021 0.000 0.345 127 Y C 2.006 177.870 175.900 -0.059 0.000 1.303 127 Y CA 0.529 58.560 58.100 -0.116 0.000 1.537 127 Y CB -0.037 38.314 38.460 -0.181 0.000 1.383 127 Y HN 0.707 nan 8.280 nan 0.000 0.606 128 G N 1.071 109.971 108.800 0.167 0.000 2.212 128 G HA2 -0.205 3.742 3.960 -0.021 0.000 0.255 128 G HA3 -0.205 3.742 3.960 -0.021 0.000 0.255 128 G C -0.738 174.194 174.900 0.053 0.000 1.062 128 G CA -0.234 44.920 45.100 0.089 0.000 0.815 128 G HN 0.524 nan 8.290 nan 0.000 0.497 129 Q N -1.093 118.728 119.800 0.035 0.000 2.377 129 Q HA 0.788 5.115 4.340 -0.021 0.000 0.279 129 Q C -0.570 175.410 176.000 -0.033 0.000 1.049 129 Q CA -0.355 55.398 55.803 -0.084 0.000 0.825 129 Q CB 2.538 31.030 28.738 -0.410 0.000 1.401 129 Q HN 0.562 nan 8.270 nan 0.000 0.404 130 S N -0.064 115.639 115.700 0.005 0.000 2.615 130 S HA 0.500 4.957 4.470 -0.021 0.000 0.268 130 S C -1.433 173.254 174.600 0.144 0.000 1.146 130 S CA -0.452 57.816 58.200 0.114 0.000 0.818 130 S CB 0.568 63.860 63.200 0.153 0.000 1.111 130 S HN 0.585 nan 8.310 nan 0.000 0.465 131 F N 1.379 121.504 119.950 0.293 0.000 2.749 131 F HA 0.332 4.846 4.527 -0.021 0.000 0.300 131 F C 1.633 177.427 175.800 -0.010 0.000 1.103 131 F CA 0.062 58.186 58.000 0.207 0.000 1.342 131 F CB 0.493 39.511 39.000 0.029 0.000 1.098 131 F HN 0.453 nan 8.300 nan 0.000 0.586 132 Q N -0.738 119.190 119.800 0.215 0.000 2.729 132 Q HA 0.079 4.407 4.340 -0.021 0.000 0.228 132 Q C 0.308 176.382 176.000 0.124 0.000 1.021 132 Q CA -0.586 55.296 55.803 0.132 0.000 0.561 132 Q CB -0.353 28.453 28.738 0.114 0.000 3.921 132 Q HN -0.064 nan 8.270 nan 0.000 0.430 133 E N 1.365 121.623 120.200 0.096 0.000 3.311 133 E HA -0.171 4.167 4.350 -0.021 0.000 0.264 133 E C 0.039 176.679 176.600 0.067 0.000 0.875 133 E CA 1.209 57.651 56.400 0.070 0.000 0.969 133 E CB -0.180 29.552 29.700 0.053 0.000 0.910 133 E HN 0.658 nan 8.360 nan 0.000 0.548 134 G N 4.283 113.108 108.800 0.043 0.000 2.321 134 G HA2 -0.362 3.585 3.960 -0.021 0.000 0.287 134 G HA3 -0.362 3.585 3.960 -0.021 0.000 0.287 134 G C 0.366 175.250 174.900 -0.027 0.000 1.018 134 G CA 0.760 45.857 45.100 -0.005 0.000 0.855 134 G HN 0.746 nan 8.290 nan 0.000 0.507 135 Y N 0.028 120.278 120.300 -0.083 0.000 1.938 135 Y HA 0.061 4.598 4.550 -0.021 0.000 0.137 135 Y C 2.356 178.144 175.900 -0.186 0.000 0.675 135 Y CA 3.506 61.540 58.100 -0.109 0.000 0.573 135 Y CB -0.658 37.799 38.460 -0.005 0.000 0.741 135 Y HN 1.712 nan 8.280 nan 0.000 0.749 136 A N -2.302 120.034 122.820 -0.807 0.000 3.797 136 A HA -0.022 4.285 4.320 -0.021 0.000 0.251 136 A C 1.795 178.839 177.584 -0.900 0.000 0.963 136 A CA 1.636 53.205 52.037 -0.781 0.000 1.494 136 A CB -2.423 16.302 19.000 -0.458 0.000 0.978 136 A HN 2.376 nan 8.150 nan 0.000 0.821 137 G N -1.547 106.417 108.800 -1.393 0.000 2.155 137 G HA2 0.250 4.197 3.960 -0.021 0.000 0.135 137 G HA3 0.250 4.197 3.960 -0.021 0.000 0.135 137 G C -0.102 174.581 174.900 -0.361 0.000 1.023 137 G CA 0.394 45.070 45.100 -0.706 0.000 0.688 137 G HN 2.253 nan 8.290 nan 0.000 0.499 138 I N -0.144 119.950 120.570 -0.792 0.000 2.651 138 I HA 0.692 4.850 4.170 -0.021 0.000 0.287 138 I C -1.336 174.420 176.117 -0.602 0.000 1.244 138 I CA -1.227 59.800 61.300 -0.455 0.000 1.061 138 I CB 0.832 38.637 38.000 -0.325 0.000 1.286 138 I HN -0.052 nan 8.210 nan 0.000 0.434 139 F N 6.425 126.434 119.950 0.098 0.000 2.522 139 F HA 0.619 5.133 4.527 -0.021 0.000 0.324 139 F C 0.175 175.891 175.800 -0.141 0.000 1.077 139 F CA -0.533 57.378 58.000 -0.149 0.000 0.944 139 F CB 1.287 40.124 39.000 -0.273 0.000 1.175 139 F HN 0.450 nan 8.300 nan 0.000 0.468 140 H N -0.030 118.684 119.070 -0.593 0.000 2.710 140 H HA 0.689 5.233 4.556 -0.021 0.000 0.361 140 H C -1.845 173.090 175.328 -0.654 0.000 1.175 140 H CA -1.897 53.901 56.048 -0.417 0.000 1.206 140 H CB 1.345 30.885 29.762 -0.371 0.000 1.750 140 H HN 0.479 nan 8.280 nan 0.000 0.553 141 F N -0.627 119.263 119.950 -0.099 0.000 2.631 141 F HA 0.479 4.993 4.527 -0.021 0.000 0.328 141 F C -0.147 175.595 175.800 -0.098 0.000 1.067 141 F CA -0.861 57.053 58.000 -0.144 0.000 0.969 141 F CB 2.072 41.053 39.000 -0.032 0.000 1.332 141 F HN 0.413 nan 8.300 nan 0.000 0.490 142 Q N 1.882 121.812 119.800 0.217 0.000 2.337 142 Q HA 0.697 5.024 4.340 -0.021 0.000 0.270 142 Q C -1.601 174.710 176.000 0.519 0.000 1.043 142 Q CA -0.675 55.300 55.803 0.288 0.000 0.794 142 Q CB 3.073 31.864 28.738 0.088 0.000 1.281 142 Q HN 0.462 nan 8.270 nan 0.000 0.446 143 L N 1.203 122.692 121.223 0.444 0.000 2.386 143 L HA 0.477 4.804 4.340 -0.021 0.000 0.271 143 L C -0.945 175.813 176.870 -0.186 0.000 0.993 143 L CA -0.935 54.034 54.840 0.215 0.000 0.819 143 L CB 1.534 43.690 42.059 0.162 0.000 1.294 143 L HN 0.634 nan 8.230 nan 0.000 0.414 144 W N 4.245 125.029 121.300 -0.860 0.000 2.381 144 W HA 0.124 4.771 4.660 -0.022 0.000 0.321 144 W C -0.251 175.953 176.519 -0.526 0.000 1.407 144 W CA 0.306 57.096 57.345 -0.926 0.000 1.274 144 W CB 0.501 29.472 29.460 -0.815 0.000 1.310 144 W HN 0.358 nan 8.180 nan 0.000 0.551 145 Q N 7.057 126.408 119.800 -0.749 0.000 2.337 145 Q HA 0.160 4.487 4.340 -0.021 0.000 0.264 145 Q C -0.633 174.824 176.000 -0.904 0.000 1.007 145 Q CA -1.030 54.325 55.803 -0.746 0.000 0.727 145 Q CB 0.732 29.300 28.738 -0.283 0.000 1.256 145 Q HN 0.588 nan 8.270 nan 0.000 0.467 146 F N 1.175 120.579 119.950 -0.911 0.000 3.027 146 F HA -0.264 4.250 4.527 -0.021 0.000 0.276 146 F C 1.276 176.563 175.800 -0.856 0.000 0.967 146 F CA 1.264 58.832 58.000 -0.720 0.000 0.929 146 F CB -2.170 36.616 39.000 -0.357 0.000 0.873 146 F HN 0.924 nan 8.300 nan 0.000 0.787 147 G N -0.705 107.163 108.800 -1.553 0.000 2.162 147 G HA2 -0.278 3.669 3.960 -0.021 0.000 0.260 147 G HA3 -0.278 3.669 3.960 -0.021 0.000 0.260 147 G C 0.133 174.579 174.900 -0.756 0.000 0.976 147 G CA 0.437 44.912 45.100 -1.042 0.000 0.655 147 G HN 0.891 nan 8.290 nan 0.000 0.533 148 E N -1.161 118.597 120.200 -0.735 0.000 2.256 148 E HA 0.616 4.954 4.350 -0.021 0.000 0.267 148 E C -0.842 175.538 176.600 -0.366 0.000 0.892 148 E CA -1.504 54.673 56.400 -0.372 0.000 0.775 148 E CB 1.375 30.960 29.700 -0.192 0.000 1.207 148 E HN 0.242 nan 8.360 nan 0.000 0.420 149 W N 1.717 122.956 121.300 -0.102 0.000 2.417 149 W HA 0.473 5.121 4.660 -0.021 0.000 0.317 149 W C -0.914 175.600 176.519 -0.007 0.000 1.121 149 W CA -0.451 56.893 57.345 -0.002 0.000 1.208 149 W CB 1.882 31.372 29.460 0.049 0.000 1.253 149 W HN 0.266 nan 8.180 nan 0.000 0.533 150 V N 3.551 123.629 119.914 0.273 0.000 2.577 150 V HA 0.105 4.213 4.120 -0.021 0.000 0.303 150 V C -0.356 175.872 176.094 0.225 0.000 1.042 150 V CA -1.101 61.328 62.300 0.215 0.000 0.872 150 V CB 1.795 33.722 31.823 0.174 0.000 0.998 150 V HN 0.362 nan 8.190 nan 0.000 0.423 151 D N 3.586 124.097 120.400 0.184 0.000 2.398 151 D HA 0.156 4.783 4.640 -0.021 0.000 0.250 151 D C -0.331 176.099 176.300 0.217 0.000 1.287 151 D CA 0.395 54.502 54.000 0.179 0.000 0.992 151 D CB 1.157 42.062 40.800 0.176 0.000 1.071 151 D HN 0.266 nan 8.370 nan 0.000 0.514 152 V N 3.535 123.573 119.914 0.206 0.000 2.407 152 V HA 0.225 4.333 4.120 -0.021 0.000 0.278 152 V C 0.828 177.098 176.094 0.294 0.000 1.037 152 V CA -0.720 61.704 62.300 0.207 0.000 0.900 152 V CB 1.867 33.721 31.823 0.051 0.000 0.983 152 V HN 0.123 nan 8.190 nan 0.000 0.459 153 V N 5.195 125.281 119.914 0.287 0.000 3.109 153 V HA 0.778 4.885 4.120 -0.021 0.000 0.317 153 V C -0.075 176.232 176.094 0.353 0.000 1.074 153 V CA -0.001 62.487 62.300 0.312 0.000 1.033 153 V CB 2.204 34.162 31.823 0.225 0.000 1.111 153 V HN 0.686 nan 8.190 nan 0.000 0.458 154 V N 1.539 121.699 119.914 0.410 0.000 3.301 154 V HA 0.479 4.586 4.120 -0.021 0.000 0.291 154 V C -2.124 174.274 176.094 0.506 0.000 1.549 154 V CA -0.562 62.017 62.300 0.465 0.000 1.061 154 V CB 2.579 34.691 31.823 0.481 0.000 1.154 154 V HN 1.091 nan 8.190 nan 0.000 0.466 155 D N 0.115 120.803 120.400 0.479 0.000 2.269 155 D HA 0.422 5.049 4.640 -0.021 0.000 0.244 155 D C 0.045 176.627 176.300 0.470 0.000 0.992 155 D CA -0.134 54.122 54.000 0.428 0.000 0.894 155 D CB 1.800 42.733 40.800 0.222 0.000 1.248 155 D HN 0.625 nan 8.370 nan 0.000 0.468 156 D N 1.296 122.007 120.400 0.518 0.000 2.332 156 D HA 0.051 4.679 4.640 -0.021 0.000 0.244 156 D C 0.526 177.110 176.300 0.474 0.000 1.136 156 D CA -0.405 53.974 54.000 0.632 0.000 0.884 156 D CB -0.441 40.897 40.800 0.897 0.000 0.906 156 D HN 0.191 nan 8.370 nan 0.000 0.520 157 L N 0.036 121.497 121.223 0.396 0.000 2.472 157 L HA 0.376 4.703 4.340 -0.021 0.000 0.260 157 L C -0.437 176.736 176.870 0.506 0.000 1.209 157 L CA 0.073 55.147 54.840 0.390 0.000 0.817 157 L CB 0.556 42.800 42.059 0.309 0.000 1.106 157 L HN 0.105 nan 8.230 nan 0.000 0.479 158 L N 3.026 124.536 121.223 0.479 0.000 2.482 158 L HA 0.435 4.762 4.340 -0.021 0.000 0.263 158 L C -2.458 174.460 176.870 0.080 0.000 0.957 158 L CA -1.694 53.357 54.840 0.352 0.000 0.836 158 L CB 2.020 44.248 42.059 0.281 0.000 1.324 158 L HN 0.429 nan 8.230 nan 0.000 0.406 159 P HA 0.146 nan 4.420 nan 0.000 0.266 159 P C -0.754 176.373 177.300 -0.289 0.000 1.215 159 P CA 0.035 62.676 63.100 -0.765 0.000 0.763 159 P CB 0.800 31.876 31.700 -1.041 0.000 0.806 160 T N 0.794 115.186 114.554 -0.271 0.000 2.864 160 T HA 0.672 5.009 4.350 -0.021 0.000 0.299 160 T C -1.174 173.445 174.700 -0.136 0.000 1.166 160 T CA -0.964 61.054 62.100 -0.136 0.000 1.007 160 T CB 1.687 70.522 68.868 -0.056 0.000 1.219 160 T HN 0.135 nan 8.240 nan 0.000 0.506 161 K N 0.763 121.099 120.400 -0.108 0.000 2.501 161 K HA 0.495 4.802 4.320 -0.021 0.000 0.252 161 K C -1.067 175.487 176.600 -0.076 0.000 0.934 161 K CA -0.745 55.483 56.287 -0.097 0.000 0.797 161 K CB 1.753 34.190 32.500 -0.104 0.000 1.270 161 K HN 0.817 nan 8.250 nan 0.000 0.431 162 D N 0.925 121.288 120.400 -0.061 0.000 3.077 162 D HA -0.193 4.434 4.640 -0.021 0.000 0.217 162 D C 0.667 176.944 176.300 -0.038 0.000 1.162 162 D CA 2.046 56.017 54.000 -0.047 0.000 0.943 162 D CB -0.893 39.878 40.800 -0.049 0.000 1.122 162 D HN 1.024 nan 8.370 nan 0.000 0.413 163 G N -2.167 106.612 108.800 -0.035 0.000 2.143 163 G HA2 -0.053 3.894 3.960 -0.021 0.000 0.249 163 G HA3 -0.053 3.894 3.960 -0.021 0.000 0.249 163 G C 0.294 175.179 174.900 -0.024 0.000 0.981 163 G CA 1.114 46.204 45.100 -0.017 0.000 0.665 163 G HN 0.994 nan 8.290 nan 0.000 0.528 164 K N -0.363 120.002 120.400 -0.059 0.000 2.207 164 K HA 0.891 5.198 4.320 -0.021 0.000 0.255 164 K C -0.078 176.449 176.600 -0.121 0.000 0.941 164 K CA -0.446 55.779 56.287 -0.103 0.000 0.825 164 K CB 1.719 34.142 32.500 -0.128 0.000 1.119 164 K HN 1.074 nan 8.250 nan 0.000 0.430 165 L N 2.809 123.929 121.223 -0.171 0.000 2.361 165 L HA 0.297 4.624 4.340 -0.021 0.000 0.278 165 L C 1.077 177.881 176.870 -0.111 0.000 1.113 165 L CA -0.073 54.715 54.840 -0.086 0.000 0.849 165 L CB 1.328 43.367 42.059 -0.035 0.000 1.155 165 L HN 0.625 nan 8.230 nan 0.000 0.452 166 V N 1.517 121.409 119.914 -0.038 0.000 3.342 166 V HA 0.311 4.418 4.120 -0.021 0.000 0.322 166 V C 0.424 176.308 176.094 -0.350 0.000 1.370 166 V CA 0.056 62.254 62.300 -0.170 0.000 1.170 166 V CB -1.372 30.300 31.823 -0.253 0.000 1.101 166 V HN 0.579 nan 8.190 nan 0.000 0.442 167 F N -0.949 119.014 119.950 0.022 0.000 2.908 167 F HA 0.660 5.174 4.527 -0.021 0.000 0.355 167 F C 0.690 176.614 175.800 0.207 0.000 1.367 167 F CA -0.953 57.116 58.000 0.115 0.000 1.086 167 F CB 0.563 39.667 39.000 0.174 0.000 1.702 167 F HN -0.264 nan 8.300 nan 0.000 0.463 168 V N 0.928 121.050 119.914 0.346 0.000 2.881 168 V HA 0.284 4.391 4.120 -0.021 0.000 0.303 168 V C -0.311 175.834 176.094 0.084 0.000 1.070 168 V CA 0.144 62.500 62.300 0.093 0.000 1.074 168 V CB 0.768 32.563 31.823 -0.046 0.000 1.012 168 V HN 0.800 nan 8.190 nan 0.000 0.482 169 H N 1.140 120.125 119.070 -0.142 0.000 2.904 169 H HA 0.542 5.086 4.556 -0.021 0.000 0.290 169 H C -0.721 174.461 175.328 -0.244 0.000 1.437 169 H CA -0.429 55.496 56.048 -0.204 0.000 1.147 169 H CB 1.331 31.009 29.762 -0.139 0.000 1.824 169 H HN 0.668 nan 8.280 nan 0.000 0.505 170 S N -0.279 115.325 115.700 -0.160 0.000 2.489 170 S HA 0.756 5.213 4.470 -0.021 0.000 0.291 170 S C 0.803 175.381 174.600 -0.036 0.000 1.151 170 S CA -0.218 57.877 58.200 -0.174 0.000 1.082 170 S CB 1.445 64.503 63.200 -0.237 0.000 1.019 170 S HN 0.883 nan 8.310 nan 0.000 0.492 171 A N 1.859 124.659 122.820 -0.033 0.000 1.919 171 A HA 0.429 4.736 4.320 -0.021 0.000 0.211 171 A C 2.219 179.811 177.584 0.014 0.000 1.310 171 A CA 1.670 53.729 52.037 0.038 0.000 0.651 171 A CB -1.315 17.704 19.000 0.032 0.000 0.996 171 A HN 1.093 nan 8.150 nan 0.000 0.479 172 Q N -0.334 119.466 119.800 -0.001 0.000 1.838 172 Q HA 0.316 4.644 4.340 -0.021 0.000 0.242 172 Q C 1.658 177.637 176.000 -0.036 0.000 0.966 172 Q CA 0.923 56.720 55.803 -0.010 0.000 0.870 172 Q CB -1.863 26.875 28.738 0.000 0.000 0.911 172 Q HN 1.271 nan 8.270 nan 0.000 0.434 173 G N 2.296 111.075 108.800 -0.034 0.000 2.401 173 G HA2 0.245 4.192 3.960 -0.021 0.000 0.288 173 G HA3 0.245 4.192 3.960 -0.021 0.000 0.288 173 G C -0.472 174.369 174.900 -0.098 0.000 0.917 173 G CA 0.091 45.167 45.100 -0.040 0.000 1.610 173 G HN 0.694 nan 8.290 nan 0.000 0.439 174 N N 2.474 121.098 118.700 -0.128 0.000 2.429 174 N HA 0.093 4.820 4.740 -0.021 0.000 0.298 174 N C 0.267 175.685 175.510 -0.153 0.000 1.256 174 N CA 0.201 53.089 53.050 -0.271 0.000 1.090 174 N CB 0.557 38.921 38.487 -0.204 0.000 1.477 174 N HN 0.664 nan 8.380 nan 0.000 0.491 175 E N 0.396 120.477 120.200 -0.199 0.000 2.232 175 E HA 0.373 4.711 4.350 -0.021 0.000 0.264 175 E C -0.503 175.978 176.600 -0.200 0.000 0.973 175 E CA -0.677 55.749 56.400 0.043 0.000 0.849 175 E CB 0.776 30.546 29.700 0.116 0.000 1.198 175 E HN 0.376 nan 8.360 nan 0.000 0.407 176 F N 0.839 120.781 119.950 -0.014 0.000 2.838 176 F HA 0.112 4.626 4.527 -0.021 0.000 0.329 176 F C 1.200 176.905 175.800 -0.158 0.000 1.116 176 F CA -0.809 57.166 58.000 -0.043 0.000 1.155 176 F CB 0.136 39.197 39.000 0.102 0.000 1.106 176 F HN 0.616 nan 8.300 nan 0.000 0.538 177 W N 1.040 122.156 121.300 -0.308 0.000 2.317 177 W HA -0.248 4.399 4.660 -0.022 0.000 0.318 177 W C 2.038 178.441 176.519 -0.194 0.000 1.227 177 W CA 1.715 58.673 57.345 -0.645 0.000 1.269 177 W CB -1.589 27.383 29.460 -0.814 0.000 1.155 177 W HN 0.191 nan 8.180 nan 0.000 0.484 178 S N 1.860 116.933 115.700 -1.044 0.000 2.440 178 S HA -0.070 4.387 4.470 -0.021 0.000 0.238 178 S C 2.057 176.399 174.600 -0.430 0.000 1.010 178 S CA 1.648 59.201 58.200 -1.077 0.000 0.972 178 S CB -0.783 61.504 63.200 -1.523 0.000 0.774 178 S HN 0.384 nan 8.310 nan 0.000 0.501 179 A N 0.783 123.469 122.820 -0.223 0.000 2.119 179 A HA 0.378 4.685 4.320 -0.021 0.000 0.216 179 A C 2.084 179.751 177.584 0.138 0.000 1.152 179 A CA 0.855 52.907 52.037 0.026 0.000 0.708 179 A CB -0.392 18.734 19.000 0.210 0.000 0.805 179 A HN 0.591 nan 8.150 nan 0.000 0.460 180 L N -1.821 119.505 121.223 0.171 0.000 2.500 180 L HA 0.136 4.463 4.340 -0.021 0.000 0.219 180 L C 2.113 178.893 176.870 -0.150 0.000 1.057 180 L CA -0.101 54.901 54.840 0.270 0.000 0.854 180 L CB -0.367 42.091 42.059 0.666 0.000 1.078 180 L HN 0.266 nan 8.230 nan 0.000 0.480 181 L N 1.300 122.191 121.223 -0.553 0.000 2.010 181 L HA -0.306 4.022 4.340 -0.021 0.000 0.219 181 L C 2.497 179.034 176.870 -0.556 0.000 1.077 181 L CA 2.327 56.530 54.840 -1.062 0.000 0.773 181 L CB -0.717 40.930 42.059 -0.686 0.000 0.892 181 L HN 0.452 nan 8.230 nan 0.000 0.436 182 E N -0.786 119.223 120.200 -0.318 0.000 2.153 182 E HA -0.295 4.042 4.350 -0.021 0.000 0.194 182 E C 2.257 178.725 176.600 -0.220 0.000 0.988 182 E CA 1.328 57.606 56.400 -0.203 0.000 0.811 182 E CB -0.189 29.408 29.700 -0.172 0.000 0.746 182 E HN 0.542 nan 8.360 nan 0.000 0.466 183 K N -0.218 120.106 120.400 -0.127 0.000 2.147 183 K HA -0.116 4.191 4.320 -0.021 0.000 0.205 183 K C 1.793 178.333 176.600 -0.100 0.000 1.049 183 K CA 1.141 57.436 56.287 0.013 0.000 0.936 183 K CB -0.069 32.622 32.500 0.317 0.000 0.722 183 K HN 0.201 nan 8.250 nan 0.000 0.446 184 A N -0.580 122.159 122.820 -0.135 0.000 2.044 184 A HA -0.030 4.277 4.320 -0.021 0.000 0.213 184 A C 1.785 179.264 177.584 -0.176 0.000 1.169 184 A CA 0.280 52.242 52.037 -0.126 0.000 0.724 184 A CB -0.377 18.576 19.000 -0.078 0.000 0.840 184 A HN 0.505 nan 8.150 nan 0.000 0.463 185 Y N -0.032 120.086 120.300 -0.303 0.000 2.231 185 Y HA 0.118 4.655 4.550 -0.021 0.000 0.294 185 Y C 2.547 178.288 175.900 -0.265 0.000 1.120 185 Y CA 0.737 58.706 58.100 -0.217 0.000 1.141 185 Y CB -0.024 38.375 38.460 -0.101 0.000 1.022 185 Y HN 0.313 nan 8.280 nan 0.000 0.523 186 A N 0.421 123.068 122.820 -0.288 0.000 2.194 186 A HA -0.215 4.092 4.320 -0.021 0.000 0.220 186 A C 2.052 179.344 177.584 -0.486 0.000 1.162 186 A CA 1.895 53.670 52.037 -0.436 0.000 0.674 186 A CB -0.589 17.988 19.000 -0.704 0.000 0.789 186 A HN 0.542 nan 8.150 nan 0.000 0.470 187 K N -0.373 119.651 120.400 -0.627 0.000 2.157 187 K HA 0.000 4.308 4.320 -0.021 0.000 0.207 187 K C 1.948 178.259 176.600 -0.481 0.000 1.030 187 K CA 1.134 56.860 56.287 -0.936 0.000 0.965 187 K CB -0.273 31.636 32.500 -0.984 0.000 0.877 187 K HN 0.333 nan 8.250 nan 0.000 0.460 188 V N 0.136 119.773 119.914 -0.462 0.000 2.546 188 V HA -0.284 3.823 4.120 -0.021 0.000 0.254 188 V C 1.243 177.219 176.094 -0.196 0.000 1.076 188 V CA 2.347 64.355 62.300 -0.487 0.000 1.087 188 V CB -1.208 30.273 31.823 -0.570 0.000 0.674 188 V HN 0.323 nan 8.190 nan 0.000 0.470 189 N N 0.733 119.294 118.700 -0.232 0.000 2.244 189 N HA 0.322 5.049 4.740 -0.021 0.000 0.183 189 N C 1.419 176.917 175.510 -0.020 0.000 1.016 189 N CA 1.584 54.559 53.050 -0.124 0.000 0.866 189 N CB 0.060 38.437 38.487 -0.183 0.000 0.980 189 N HN 0.732 nan 8.380 nan 0.000 0.430 190 G N -1.045 107.748 108.800 -0.012 0.000 3.714 190 G HA2 -0.097 3.850 3.960 -0.021 0.000 0.146 190 G HA3 -0.097 3.850 3.960 -0.021 0.000 0.146 190 G C -0.418 174.619 174.900 0.228 0.000 2.286 190 G CA 0.106 45.263 45.100 0.094 0.000 1.218 190 G HN 0.401 nan 8.290 nan 0.000 0.362 191 S N -1.119 114.737 115.700 0.259 0.000 2.794 191 S HA 0.673 5.131 4.470 -0.021 0.000 0.299 191 S C 0.083 174.891 174.600 0.348 0.000 1.179 191 S CA -0.421 58.042 58.200 0.438 0.000 0.838 191 S CB 1.457 64.910 63.200 0.421 0.000 1.206 191 S HN 0.283 nan 8.310 nan 0.000 0.523 192 Y N 0.668 121.105 120.300 0.229 0.000 2.420 192 Y HA 0.219 4.756 4.550 -0.021 0.000 0.292 192 Y C 2.352 178.329 175.900 0.128 0.000 1.119 192 Y CA 0.828 58.988 58.100 0.099 0.000 1.229 192 Y CB -0.212 38.220 38.460 -0.046 0.000 1.026 192 Y HN 0.768 nan 8.280 nan 0.000 0.554 193 E N -0.187 120.195 120.200 0.304 0.000 2.150 193 E HA -0.180 4.157 4.350 -0.021 0.000 0.193 193 E C 2.321 179.030 176.600 0.183 0.000 0.985 193 E CA 0.797 57.309 56.400 0.188 0.000 0.814 193 E CB -0.189 29.563 29.700 0.086 0.000 0.752 193 E HN 0.420 nan 8.360 nan 0.000 0.466 194 A N 0.504 123.465 122.820 0.235 0.000 2.104 194 A HA -0.217 4.090 4.320 -0.021 0.000 0.223 194 A C 1.878 179.527 177.584 0.108 0.000 1.164 194 A CA 1.417 53.566 52.037 0.188 0.000 0.659 194 A CB -0.354 18.720 19.000 0.124 0.000 0.808 194 A HN 0.243 nan 8.150 nan 0.000 0.465 195 L N -2.248 119.059 121.223 0.139 0.000 2.840 195 L HA 0.255 4.583 4.340 -0.021 0.000 0.249 195 L C 1.423 178.496 176.870 0.339 0.000 1.119 195 L CA 0.089 55.059 54.840 0.216 0.000 0.930 195 L CB -0.545 41.662 42.059 0.245 0.000 1.295 195 L HN 0.341 nan 8.230 nan 0.000 0.534 196 S N 1.388 117.245 115.700 0.261 0.000 2.817 196 S HA 0.200 4.657 4.470 -0.021 0.000 0.333 196 S C 1.393 175.996 174.600 0.005 0.000 1.227 196 S CA 0.675 58.992 58.200 0.196 0.000 1.027 196 S CB -0.470 62.805 63.200 0.125 0.000 0.732 196 S HN 0.569 nan 8.310 nan 0.000 0.499 197 G N 2.623 111.342 108.800 -0.135 0.000 2.247 197 G HA2 0.145 4.092 3.960 -0.021 0.000 0.260 197 G HA3 0.145 4.092 3.960 -0.021 0.000 0.260 197 G C 1.014 175.574 174.900 -0.565 0.000 0.852 197 G CA 0.632 45.502 45.100 -0.383 0.000 1.281 197 G HN 1.704 nan 8.290 nan 0.000 0.378 198 G N -0.519 107.467 108.800 -1.358 0.000 2.751 198 G HA2 0.409 4.356 3.960 -0.021 0.000 0.187 198 G HA3 0.409 4.356 3.960 -0.021 0.000 0.187 198 G C 0.714 174.841 174.900 -1.288 0.000 1.733 198 G CA 1.005 45.038 45.100 -1.778 0.000 0.898 198 G HN 2.181 nan 8.290 nan 0.000 0.408 199 C N -0.987 117.524 119.300 -1.315 0.000 3.082 199 C HA 0.147 4.594 4.460 -0.021 0.000 0.377 199 C C 1.690 176.699 174.990 0.032 0.000 0.934 199 C CA 0.246 59.004 59.018 -0.434 0.000 1.343 199 C CB -1.009 26.534 27.740 -0.329 0.000 1.734 199 C HN 1.269 nan 8.230 nan 0.000 0.492 200 T N 1.715 116.404 114.554 0.226 0.000 2.737 200 T HA -0.226 4.111 4.350 -0.021 0.000 0.269 200 T C 1.886 176.714 174.700 0.213 0.000 1.040 200 T CA 2.533 64.811 62.100 0.296 0.000 1.142 200 T CB -0.293 68.719 68.868 0.241 0.000 0.861 200 T HN 1.740 nan 8.240 nan 0.000 0.456 201 S N 1.531 117.296 115.700 0.107 0.000 2.357 201 S HA -0.132 4.325 4.470 -0.021 0.000 0.221 201 S C 2.010 176.644 174.600 0.056 0.000 1.031 201 S CA 1.071 59.326 58.200 0.091 0.000 0.982 201 S CB -0.528 62.647 63.200 -0.043 0.000 0.853 201 S HN 0.716 nan 8.310 nan 0.000 0.458 202 E N 1.970 122.173 120.200 0.005 0.000 2.045 202 E HA -0.269 4.068 4.350 -0.021 0.000 0.212 202 E C 2.477 179.051 176.600 -0.043 0.000 1.039 202 E CA 1.311 57.706 56.400 -0.009 0.000 0.860 202 E CB -0.898 28.801 29.700 -0.002 0.000 0.776 202 E HN 0.660 nan 8.360 nan 0.000 0.467 203 A N 1.414 124.228 122.820 -0.011 0.000 1.900 203 A HA -0.300 4.007 4.320 -0.021 0.000 0.225 203 A C 2.099 179.265 177.584 -0.696 0.000 1.414 203 A CA 2.337 54.074 52.037 -0.499 0.000 0.702 203 A CB -1.457 17.268 19.000 -0.458 0.000 0.845 203 A HN 0.357 nan 8.150 nan 0.000 0.478 204 F N -0.498 119.224 119.950 -0.379 0.000 2.202 204 F HA -0.177 4.337 4.527 -0.021 0.000 0.301 204 F C 2.570 178.201 175.800 -0.282 0.000 1.082 204 F CA 1.904 59.745 58.000 -0.265 0.000 1.313 204 F CB 0.018 38.932 39.000 -0.143 0.000 1.024 204 F HN 0.400 nan 8.300 nan 0.000 0.495 205 E N -0.495 119.661 120.200 -0.072 0.000 2.170 205 E HA -0.150 4.187 4.350 -0.021 0.000 0.191 205 E C 1.493 177.917 176.600 -0.293 0.000 0.981 205 E CA 0.686 56.923 56.400 -0.273 0.000 0.830 205 E CB 0.069 29.588 29.700 -0.301 0.000 0.775 205 E HN 0.287 nan 8.360 nan 0.000 0.470 206 D N -0.116 120.156 120.400 -0.213 0.000 2.224 206 D HA -0.100 4.527 4.640 -0.021 0.000 0.205 206 D C 0.759 177.049 176.300 -0.018 0.000 0.965 206 D CA 0.732 54.659 54.000 -0.122 0.000 0.852 206 D CB 0.066 40.763 40.800 -0.170 0.000 0.947 206 D HN 0.173 nan 8.370 nan 0.000 0.494 207 F N 0.124 120.008 119.950 -0.110 0.000 2.692 207 F HA 0.177 4.692 4.527 -0.021 0.000 0.303 207 F C 1.747 177.590 175.800 0.072 0.000 1.114 207 F CA 0.175 58.150 58.000 -0.042 0.000 1.361 207 F CB -0.620 38.294 39.000 -0.144 0.000 1.063 207 F HN -0.058 nan 8.300 nan 0.000 0.550 208 T N -5.971 108.681 114.554 0.163 0.000 3.074 208 T HA 0.344 4.681 4.350 -0.021 0.000 0.258 208 T C 1.539 176.235 174.700 -0.007 0.000 0.891 208 T CA 0.415 62.599 62.100 0.140 0.000 0.867 208 T CB 0.157 69.067 68.868 0.070 0.000 1.261 208 T HN 0.220 nan 8.240 nan 0.000 0.537 209 G N 1.319 109.750 108.800 -0.616 0.000 2.221 209 G HA2 0.072 4.020 3.960 -0.021 0.000 0.265 209 G HA3 0.072 4.020 3.960 -0.021 0.000 0.265 209 G C 0.474 174.811 174.900 -0.939 0.000 1.041 209 G CA 0.210 44.350 45.100 -1.600 0.000 0.807 209 G HN 1.071 nan 8.290 nan 0.000 0.502 210 G N -1.736 106.678 108.800 -0.643 0.000 2.702 210 G HA2 0.880 4.828 3.960 -0.021 0.000 0.254 210 G HA3 0.880 4.828 3.960 -0.021 0.000 0.254 210 G C -0.065 174.505 174.900 -0.550 0.000 1.380 210 G CA 0.072 44.895 45.100 -0.461 0.000 1.042 210 G HN 1.438 nan 8.290 nan 0.000 0.557 211 V N -1.594 117.995 119.914 -0.541 0.000 2.540 211 V HA 0.675 4.782 4.120 -0.021 0.000 0.302 211 V C -0.013 175.841 176.094 -0.400 0.000 1.035 211 V CA -0.559 61.446 62.300 -0.491 0.000 0.873 211 V CB 1.149 32.594 31.823 -0.629 0.000 0.992 211 V HN 0.937 nan 8.190 nan 0.000 0.428 212 T N 0.431 114.816 114.554 -0.282 0.000 3.145 212 T HA 0.388 4.726 4.350 -0.021 0.000 0.348 212 T C 0.135 174.758 174.700 -0.129 0.000 1.299 212 T CA -0.420 61.547 62.100 -0.221 0.000 1.037 212 T CB -0.013 68.747 68.868 -0.179 0.000 1.122 212 T HN 1.060 nan 8.240 nan 0.000 0.600 213 E N 4.279 124.377 120.200 -0.170 0.000 2.534 213 E HA 0.049 4.386 4.350 -0.021 0.000 0.264 213 E C -0.268 176.253 176.600 -0.133 0.000 0.981 213 E CA -0.656 55.636 56.400 -0.180 0.000 0.948 213 E CB 0.416 29.970 29.700 -0.243 0.000 0.934 213 E HN 0.833 nan 8.360 nan 0.000 0.459 214 W N 2.572 123.554 121.300 -0.529 0.000 3.107 214 W HA 0.549 5.196 4.660 -0.022 0.000 0.331 214 W C -2.286 173.785 176.519 -0.746 0.000 1.204 214 W CA -1.256 55.806 57.345 -0.471 0.000 1.184 214 W CB 0.424 29.770 29.460 -0.190 0.000 1.421 214 W HN 0.575 nan 8.180 nan 0.000 0.544 215 Y N 0.647 120.962 120.300 0.025 0.000 2.581 215 Y HA 0.327 4.864 4.550 -0.021 0.000 0.345 215 Y C -0.651 175.244 175.900 -0.007 0.000 1.036 215 Y CA -0.995 57.006 58.100 -0.165 0.000 1.042 215 Y CB 1.733 40.127 38.460 -0.111 0.000 1.289 215 Y HN 0.283 nan 8.280 nan 0.000 0.471 216 D N 1.322 121.734 120.400 0.020 0.000 2.359 216 D HA 0.357 4.984 4.640 -0.021 0.000 0.230 216 D C 0.205 176.355 176.300 -0.250 0.000 1.118 216 D CA 0.088 54.010 54.000 -0.131 0.000 0.844 216 D CB 1.035 41.753 40.800 -0.137 0.000 1.059 216 D HN 0.555 nan 8.370 nan 0.000 0.493 217 L N 1.738 122.759 121.223 -0.337 0.000 1.982 217 L HA -0.007 4.320 4.340 -0.021 0.000 0.206 217 L C 1.157 177.671 176.870 -0.594 0.000 1.078 217 L CA 0.736 55.362 54.840 -0.358 0.000 0.749 217 L CB -0.169 41.791 42.059 -0.166 0.000 0.894 217 L HN 0.337 nan 8.230 nan 0.000 0.436 218 Q N 1.137 120.617 119.800 -0.533 0.000 2.534 218 Q HA 0.076 4.404 4.340 -0.021 0.000 0.223 218 Q C -0.637 175.146 176.000 -0.363 0.000 1.239 218 Q CA 0.372 55.886 55.803 -0.483 0.000 0.936 218 Q CB 0.353 28.907 28.738 -0.306 0.000 1.457 218 Q HN 0.092 nan 8.270 nan 0.000 0.547 219 K N -0.300 119.891 120.400 -0.349 0.000 2.450 219 K HA 0.006 4.314 4.320 -0.021 0.000 0.156 219 K C -1.223 175.215 176.600 -0.271 0.000 1.348 219 K CA 0.751 56.881 56.287 -0.262 0.000 0.545 219 K CB -1.336 31.039 32.500 -0.209 0.000 2.911 219 K HN 0.410 nan 8.250 nan 0.000 0.636 220 A N 1.482 124.075 122.820 -0.378 0.000 2.293 220 A HA 0.743 5.051 4.320 -0.021 0.000 0.302 220 A C -2.180 175.274 177.584 -0.216 0.000 1.119 220 A CA -0.979 50.851 52.037 -0.345 0.000 0.823 220 A CB 0.052 18.705 19.000 -0.578 0.000 1.097 220 A HN 0.102 nan 8.150 nan 0.000 0.491 221 P HA 0.113 nan 4.420 nan 0.000 0.271 221 P C 0.448 177.718 177.300 -0.050 0.000 1.216 221 P CA -0.072 62.962 63.100 -0.110 0.000 0.776 221 P CB 0.932 32.553 31.700 -0.131 0.000 0.881 222 S N -0.330 115.367 115.700 -0.005 0.000 2.786 222 S HA -0.040 4.417 4.470 -0.021 0.000 0.223 222 S C 0.581 175.228 174.600 0.078 0.000 0.956 222 S CA 0.206 58.441 58.200 0.058 0.000 0.961 222 S CB -0.912 62.312 63.200 0.039 0.000 0.784 222 S HN 0.587 nan 8.310 nan 0.000 0.519 223 D N -0.248 120.180 120.400 0.045 0.000 2.527 223 D HA 0.102 4.730 4.640 -0.021 0.000 0.224 223 D C 1.264 177.571 176.300 0.012 0.000 1.217 223 D CA -0.515 53.511 54.000 0.043 0.000 0.819 223 D CB -0.763 40.049 40.800 0.019 0.000 1.061 223 D HN 0.367 nan 8.370 nan 0.000 0.515 224 L N -0.072 121.174 121.223 0.038 0.000 2.089 224 L HA -0.237 4.090 4.340 -0.021 0.000 0.213 224 L C 1.929 178.787 176.870 -0.019 0.000 1.079 224 L CA 1.555 56.392 54.840 -0.005 0.000 0.758 224 L CB -0.265 41.918 42.059 0.206 0.000 0.891 224 L HN 0.101 nan 8.230 nan 0.000 0.433 225 Y N 0.519 120.757 120.300 -0.103 0.000 2.263 225 Y HA -0.223 4.314 4.550 -0.021 0.000 0.292 225 Y C 2.613 178.375 175.900 -0.229 0.000 1.130 225 Y CA 1.600 59.439 58.100 -0.434 0.000 1.179 225 Y CB -0.037 37.926 38.460 -0.829 0.000 0.998 225 Y HN 0.295 nan 8.280 nan 0.000 0.532 226 Q N -0.753 118.977 119.800 -0.116 0.000 2.331 226 Q HA -0.011 4.316 4.340 -0.021 0.000 0.203 226 Q C 1.937 177.865 176.000 -0.120 0.000 0.944 226 Q CA 1.141 56.877 55.803 -0.111 0.000 0.892 226 Q CB 0.094 28.827 28.738 -0.009 0.000 0.983 226 Q HN 0.471 nan 8.270 nan 0.000 0.482 227 I N 0.533 121.042 120.570 -0.102 0.000 2.286 227 I HA -0.233 3.924 4.170 -0.021 0.000 0.245 227 I C 2.055 178.101 176.117 -0.118 0.000 1.104 227 I CA 1.110 62.377 61.300 -0.055 0.000 1.397 227 I CB -0.098 37.890 38.000 -0.020 0.000 1.072 227 I HN 0.187 nan 8.210 nan 0.000 0.417 228 I N -0.435 119.999 120.570 -0.226 0.000 2.226 228 I HA -0.292 3.865 4.170 -0.021 0.000 0.245 228 I C 2.318 178.260 176.117 -0.292 0.000 1.100 228 I CA 1.116 62.266 61.300 -0.250 0.000 1.374 228 I CB -0.213 37.554 38.000 -0.388 0.000 1.057 228 I HN 0.199 nan 8.210 nan 0.000 0.413 229 L N 0.916 121.888 121.223 -0.418 0.000 1.910 229 L HA -0.226 4.101 4.340 -0.021 0.000 0.221 229 L C 2.375 179.119 176.870 -0.211 0.000 1.084 229 L CA 1.898 56.536 54.840 -0.338 0.000 0.779 229 L CB -0.987 40.885 42.059 -0.313 0.000 0.888 229 L HN 0.015 nan 8.230 nan 0.000 0.432 230 K N -0.963 119.332 120.400 -0.174 0.000 2.362 230 K HA -0.166 4.141 4.320 -0.021 0.000 0.202 230 K C 1.837 178.321 176.600 -0.193 0.000 1.045 230 K CA 1.137 57.324 56.287 -0.167 0.000 0.936 230 K CB -0.229 32.188 32.500 -0.138 0.000 0.747 230 K HN 0.463 nan 8.250 nan 0.000 0.467 231 A N 0.106 122.862 122.820 -0.108 0.000 1.855 231 A HA -0.085 4.222 4.320 -0.021 0.000 0.213 231 A C 1.707 179.244 177.584 -0.078 0.000 1.195 231 A CA 0.791 52.804 52.037 -0.040 0.000 0.610 231 A CB -0.436 18.616 19.000 0.086 0.000 0.837 231 A HN 0.171 nan 8.150 nan 0.000 0.444 232 L N 0.926 122.095 121.223 -0.091 0.000 2.197 232 L HA -0.204 4.123 4.340 -0.021 0.000 0.215 232 L C 1.754 178.569 176.870 -0.093 0.000 1.095 232 L CA 2.263 57.051 54.840 -0.087 0.000 0.764 232 L CB -1.463 40.529 42.059 -0.112 0.000 0.897 232 L HN 0.785 nan 8.230 nan 0.000 0.436 233 E N -1.027 119.095 120.200 -0.129 0.000 2.311 233 E HA 0.087 4.424 4.350 -0.021 0.000 0.198 233 E C 0.948 177.452 176.600 -0.161 0.000 1.115 233 E CA 0.001 56.324 56.400 -0.128 0.000 1.140 233 E CB 0.100 29.725 29.700 -0.126 0.000 1.204 233 E HN 0.283 nan 8.360 nan 0.000 0.446 234 R N -0.593 119.819 120.500 -0.146 0.000 2.452 234 R HA 0.122 4.450 4.340 -0.021 0.000 0.345 234 R C 0.543 176.828 176.300 -0.025 0.000 0.798 234 R CA 0.178 56.180 56.100 -0.164 0.000 1.050 234 R CB 1.055 31.087 30.300 -0.447 0.000 1.726 234 R HN 0.338 nan 8.270 nan 0.000 0.510 235 G N 1.912 110.701 108.800 -0.019 0.000 2.258 235 G HA2 -0.318 3.630 3.960 -0.021 0.000 0.274 235 G HA3 -0.318 3.630 3.960 -0.021 0.000 0.274 235 G C 0.048 174.982 174.900 0.057 0.000 1.021 235 G CA 0.895 46.006 45.100 0.018 0.000 0.798 235 G HN 0.289 nan 8.290 nan 0.000 0.507 236 S N -0.619 115.129 115.700 0.080 0.000 2.585 236 S HA 0.519 4.977 4.470 -0.021 0.000 0.273 236 S C 0.754 175.354 174.600 0.001 0.000 1.339 236 S CA -0.400 57.846 58.200 0.077 0.000 1.028 236 S CB 1.125 64.413 63.200 0.147 0.000 0.906 236 S HN 0.401 nan 8.310 nan 0.000 0.528 237 L N 2.912 124.095 121.223 -0.066 0.000 2.270 237 L HA 0.338 4.665 4.340 -0.021 0.000 0.286 237 L C -1.201 175.575 176.870 -0.156 0.000 1.059 237 L CA -0.540 54.235 54.840 -0.109 0.000 0.839 237 L CB -0.208 41.740 42.059 -0.184 0.000 1.221 237 L HN 0.325 nan 8.230 nan 0.000 0.431 238 L N 3.256 124.442 121.223 -0.061 0.000 2.287 238 L HA 0.720 5.047 4.340 -0.021 0.000 0.287 238 L C 0.577 177.456 176.870 0.016 0.000 1.022 238 L CA 0.108 54.928 54.840 -0.034 0.000 0.814 238 L CB 1.677 43.732 42.059 -0.007 0.000 1.217 238 L HN 0.495 nan 8.230 nan 0.000 0.420 239 G N 1.469 110.295 108.800 0.043 0.000 2.569 239 G HA2 0.695 4.642 3.960 -0.021 0.000 0.300 239 G HA3 0.695 4.642 3.960 -0.021 0.000 0.300 239 G C -1.575 173.412 174.900 0.145 0.000 1.269 239 G CA -0.408 44.766 45.100 0.123 0.000 0.959 239 G HN 0.616 nan 8.290 nan 0.000 0.478 240 C N -0.392 119.004 119.300 0.160 0.000 2.797 240 C HA 0.915 5.362 4.460 -0.021 0.000 0.306 240 C C 0.082 175.157 174.990 0.143 0.000 1.207 240 C CA -0.693 58.419 59.018 0.157 0.000 1.507 240 C CB 1.328 29.148 27.740 0.133 0.000 2.028 240 C HN 0.940 nan 8.230 nan 0.000 0.475 241 S N 1.025 116.812 115.700 0.145 0.000 2.537 241 S HA 0.775 5.232 4.470 -0.021 0.000 0.270 241 S C -1.464 173.218 174.600 0.136 0.000 1.142 241 S CA -0.442 57.831 58.200 0.121 0.000 0.870 241 S CB 1.302 64.582 63.200 0.133 0.000 1.112 241 S HN 1.173 nan 8.310 nan 0.000 0.466 242 I N 2.622 123.238 120.570 0.077 0.000 2.428 242 I HA 0.525 4.683 4.170 -0.021 0.000 0.279 242 I C -0.399 175.747 176.117 0.050 0.000 1.040 242 I CA -0.406 60.963 61.300 0.115 0.000 1.171 242 I CB 1.025 39.057 38.000 0.054 0.000 1.312 242 I HN 0.617 nan 8.210 nan 0.000 0.470 243 N N 6.777 125.461 118.700 -0.027 0.000 2.400 243 N HA 0.153 4.880 4.740 -0.021 0.000 0.278 243 N C 0.863 176.279 175.510 -0.156 0.000 1.247 243 N CA 0.650 53.568 53.050 -0.220 0.000 0.970 243 N CB 0.314 38.458 38.487 -0.572 0.000 1.312 243 N HN 0.790 nan 8.380 nan 0.000 0.488 255 F N 2.718 122.732 119.950 0.106 0.000 2.000 255 F HA 0.574 5.088 4.527 -0.021 0.000 0.294 255 F C 0.989 176.886 175.800 0.162 0.000 1.312 255 F CA 0.986 59.086 58.000 0.167 0.000 1.152 255 F CB -0.750 38.327 39.000 0.127 0.000 0.959 255 F HN 0.212 nan 8.300 nan 0.000 0.500 256 K N 1.132 121.591 120.400 0.098 0.000 2.575 256 K HA 0.366 4.673 4.320 -0.021 0.000 0.236 256 K C 0.564 177.186 176.600 0.038 0.000 0.976 256 K CA 0.386 56.716 56.287 0.070 0.000 0.985 256 K CB 0.412 32.919 32.500 0.011 0.000 1.198 256 K HN 0.659 nan 8.250 nan 0.000 0.464 257 N N 3.310 122.035 118.700 0.041 0.000 2.396 257 N HA -0.072 4.656 4.740 -0.021 0.000 0.180 257 N C 1.053 176.561 175.510 -0.004 0.000 1.028 257 N CA 1.019 54.080 53.050 0.019 0.000 0.893 257 N CB -0.293 38.207 38.487 0.022 0.000 0.967 257 N HN 0.349 nan 8.380 nan 0.000 0.440 263 A N -1.174 121.860 122.820 0.357 0.000 2.079 263 A HA 0.439 4.746 4.320 -0.021 0.000 0.148 263 A C -1.290 176.586 177.584 0.486 0.000 1.548 263 A CA 0.124 52.422 52.037 0.435 0.000 2.766 263 A CB -0.077 19.332 19.000 0.683 0.000 2.916 263 A HN 0.422 nan 8.150 nan 0.000 1.242 264 Y N -0.232 120.177 120.300 0.181 0.000 2.557 264 Y HA 0.028 4.565 4.550 -0.021 0.000 0.028 264 Y C 0.258 176.179 175.900 0.035 0.000 1.751 264 Y CA -0.041 58.089 58.100 0.049 0.000 1.382 264 Y CB -1.655 36.801 38.460 -0.006 0.000 2.030 264 Y HN 0.809 nan 8.280 nan 0.000 0.262 265 S N 0.694 116.449 115.700 0.091 0.000 2.634 265 S HA 0.861 5.318 4.470 -0.021 0.000 0.296 265 S C -0.565 174.020 174.600 -0.026 0.000 1.104 265 S CA -0.965 57.270 58.200 0.058 0.000 0.920 265 S CB 2.696 65.927 63.200 0.052 0.000 1.111 265 S HN 0.478 nan 8.310 nan 0.000 0.493 266 V N 2.019 121.915 119.914 -0.030 0.000 2.481 266 V HA 0.492 4.599 4.120 -0.021 0.000 0.286 266 V C 1.170 177.201 176.094 -0.105 0.000 1.042 266 V CA -0.104 62.145 62.300 -0.085 0.000 0.928 266 V CB 1.323 33.119 31.823 -0.045 0.000 0.986 266 V HN 1.181 nan 8.190 nan 0.000 0.462 267 T N -1.309 113.145 114.554 -0.167 0.000 2.986 267 T HA 0.292 4.629 4.350 -0.021 0.000 0.264 267 T C 0.010 174.611 174.700 -0.166 0.000 0.964 267 T CA 0.048 62.061 62.100 -0.145 0.000 0.895 267 T CB 0.376 69.155 68.868 -0.148 0.000 1.163 267 T HN 0.577 nan 8.240 nan 0.000 0.517 268 D N -0.322 119.936 120.400 -0.237 0.000 2.694 268 D HA 0.675 5.303 4.640 -0.021 0.000 0.260 268 D C -1.936 174.236 176.300 -0.213 0.000 1.250 268 D CA -0.128 53.743 54.000 -0.215 0.000 0.763 268 D CB 1.855 42.522 40.800 -0.221 0.000 1.311 268 D HN 0.433 nan 8.370 nan 0.000 0.420 269 A N 1.353 124.173 122.820 0.001 0.000 2.488 269 A HA 0.750 5.058 4.320 -0.021 0.000 0.295 269 A C -1.365 176.394 177.584 0.292 0.000 1.045 269 A CA -0.586 51.531 52.037 0.133 0.000 0.703 269 A CB 1.511 20.436 19.000 -0.126 0.000 1.271 269 A HN 0.298 nan 8.150 nan 0.000 0.400 270 K N 1.292 121.949 120.400 0.429 0.000 2.619 270 K HA 0.407 4.714 4.320 -0.021 0.000 0.251 270 K C -1.360 175.244 176.600 0.007 0.000 0.987 270 K CA -0.123 56.284 56.287 0.200 0.000 0.844 270 K CB 1.868 34.443 32.500 0.125 0.000 1.237 270 K HN 0.754 nan 8.250 nan 0.000 0.447 271 Q N 2.196 121.986 119.800 -0.017 0.000 2.390 271 Q HA 0.306 4.633 4.340 -0.021 0.000 0.249 271 Q C -0.342 175.574 176.000 -0.139 0.000 0.996 271 Q CA -0.843 54.903 55.803 -0.094 0.000 0.899 271 Q CB 1.111 29.822 28.738 -0.046 0.000 1.216 271 Q HN 0.392 nan 8.270 nan 0.000 0.465 272 V N -0.393 119.400 119.914 -0.202 0.000 2.630 272 V HA 0.563 4.670 4.120 -0.021 0.000 0.305 272 V C 0.077 176.147 176.094 -0.040 0.000 1.046 272 V CA -0.855 61.349 62.300 -0.160 0.000 0.934 272 V CB 1.835 33.493 31.823 -0.276 0.000 1.003 272 V HN 0.620 nan 8.190 nan 0.000 0.451 273 T N 5.065 119.622 114.554 0.006 0.000 2.752 273 T HA 0.343 4.681 4.350 -0.021 0.000 0.295 273 T C -0.810 173.992 174.700 0.170 0.000 0.923 273 T CA 0.605 62.746 62.100 0.068 0.000 1.112 273 T CB -0.484 68.405 68.868 0.035 0.000 0.884 273 T HN 0.856 nan 8.240 nan 0.000 0.525 274 Y N 3.217 123.549 120.300 0.054 0.000 2.333 274 Y HA 0.281 4.818 4.550 -0.021 0.000 0.324 274 Y C 0.090 176.002 175.900 0.020 0.000 1.033 274 Y CA -1.070 57.068 58.100 0.063 0.000 1.224 274 Y CB 0.627 39.188 38.460 0.169 0.000 1.120 274 Y HN 0.815 nan 8.280 nan 0.000 0.457 275 Q N 3.926 123.594 119.800 -0.219 0.000 2.460 275 Q HA -0.198 4.130 4.340 -0.021 0.000 0.311 275 Q C 0.886 176.829 176.000 -0.094 0.000 1.396 275 Q CA 0.950 56.607 55.803 -0.244 0.000 0.838 275 Q CB -1.947 26.543 28.738 -0.413 0.000 1.140 275 Q HN 1.533 nan 8.270 nan 0.000 0.415 276 G N -1.209 107.567 108.800 -0.039 0.000 2.305 276 G HA2 -0.287 3.660 3.960 -0.021 0.000 0.287 276 G HA3 -0.287 3.660 3.960 -0.021 0.000 0.287 276 G C -0.108 174.789 174.900 -0.006 0.000 1.036 276 G CA 0.748 45.837 45.100 -0.019 0.000 0.887 276 G HN 0.534 nan 8.290 nan 0.000 0.505 277 Q N -2.381 117.431 119.800 0.020 0.000 2.857 277 Q HA 0.683 5.010 4.340 -0.021 0.000 0.319 277 Q C 1.488 177.516 176.000 0.047 0.000 0.963 277 Q CA -0.150 55.671 55.803 0.030 0.000 0.770 277 Q CB 0.546 29.307 28.738 0.038 0.000 1.492 277 Q HN 0.644 nan 8.270 nan 0.000 0.493 278 R N 0.052 120.571 120.500 0.032 0.000 2.147 278 R HA 0.015 4.342 4.340 -0.021 0.000 0.225 278 R C 0.357 176.663 176.300 0.010 0.000 1.120 278 R CA 1.038 57.143 56.100 0.007 0.000 0.891 278 R CB -1.570 28.725 30.300 -0.008 0.000 0.822 278 R HN 0.401 nan 8.270 nan 0.000 0.433 279 V N 2.200 122.138 119.914 0.041 0.000 3.914 279 V HA -0.205 3.902 4.120 -0.021 0.000 0.523 279 V C -0.998 175.005 176.094 -0.151 0.000 0.683 279 V CA 0.857 63.170 62.300 0.022 0.000 2.047 279 V CB -0.932 30.982 31.823 0.151 0.000 2.437 279 V HN 0.618 nan 8.190 nan 0.000 0.515 280 N N 5.614 124.153 118.700 -0.268 0.000 2.392 280 N HA 0.725 5.453 4.740 -0.021 0.000 0.283 280 N C -0.457 174.867 175.510 -0.309 0.000 1.003 280 N CA -0.590 52.152 53.050 -0.513 0.000 0.892 280 N CB 2.272 39.954 38.487 -1.341 0.000 1.193 280 N HN 0.590 nan 8.380 nan 0.000 0.487 281 L N 1.535 122.658 121.223 -0.165 0.000 2.304 281 L HA 0.681 5.008 4.340 -0.021 0.000 0.268 281 L C -0.178 176.895 176.870 0.339 0.000 1.010 281 L CA -1.030 53.788 54.840 -0.036 0.000 0.813 281 L CB 2.088 43.936 42.059 -0.352 0.000 1.315 281 L HN 0.395 nan 8.230 nan 0.000 0.445 282 I N 0.808 121.633 120.570 0.424 0.000 2.656 282 I HA 0.369 4.526 4.170 -0.021 0.000 0.292 282 I C -1.040 175.055 176.117 -0.038 0.000 1.144 282 I CA -0.530 60.934 61.300 0.272 0.000 1.038 282 I CB 2.319 40.430 38.000 0.184 0.000 1.244 282 I HN 0.600 nan 8.210 nan 0.000 0.420 283 R N 6.949 127.067 120.500 -0.636 0.000 2.255 283 R HA 0.529 4.856 4.340 -0.021 0.000 0.326 283 R C -1.222 174.779 176.300 -0.498 0.000 0.986 283 R CA -0.585 54.904 56.100 -1.018 0.000 0.847 283 R CB 1.313 30.389 30.300 -2.040 0.000 1.111 283 R HN 0.634 nan 8.270 nan 0.000 0.452 284 M N 2.576 121.963 119.600 -0.356 0.000 2.649 284 M HA 0.496 4.964 4.480 -0.021 0.000 0.294 284 M C -0.625 175.380 176.300 -0.491 0.000 1.206 284 M CA -0.519 54.581 55.300 -0.334 0.000 0.928 284 M CB 1.259 33.702 32.600 -0.262 0.000 1.571 284 M HN 0.591 nan 8.290 nan 0.000 0.501 285 R N 1.458 121.682 120.500 -0.460 0.000 2.647 285 R HA 0.315 4.642 4.340 -0.021 0.000 0.260 285 R C -1.908 174.145 176.300 -0.412 0.000 1.154 285 R CA -0.612 55.189 56.100 -0.498 0.000 1.029 285 R CB 0.640 30.764 30.300 -0.293 0.000 1.262 285 R HN 0.733 nan 8.270 nan 0.000 0.437 286 N N 5.259 123.597 118.700 -0.604 0.000 2.408 286 N HA 0.278 5.005 4.740 -0.021 0.000 0.257 286 N C -2.023 173.418 175.510 -0.114 0.000 1.064 286 N CA -2.069 50.700 53.050 -0.469 0.000 0.952 286 N CB 1.636 39.636 38.487 -0.811 0.000 1.093 286 N HN 0.413 nan 8.380 nan 0.000 0.490 287 P HA -0.005 nan 4.420 nan 0.000 0.236 287 P C 0.018 177.201 177.300 -0.195 0.000 1.172 287 P CA 0.928 63.931 63.100 -0.162 0.000 0.759 287 P CB 0.052 31.537 31.700 -0.358 0.000 0.843 288 W N -1.511 119.748 121.300 -0.069 0.000 2.991 288 W HA 0.319 4.966 4.660 -0.022 0.000 0.391 288 W C 1.196 177.695 176.519 -0.033 0.000 1.054 288 W CA 0.357 57.687 57.345 -0.025 0.000 1.856 288 W CB 0.382 29.870 29.460 0.047 0.000 1.132 288 W HN 0.135 nan 8.180 nan 0.000 0.601 289 G N 1.445 110.316 108.800 0.118 0.000 2.458 289 G HA2 -0.343 3.604 3.960 -0.021 0.000 0.237 289 G HA3 -0.343 3.604 3.960 -0.021 0.000 0.237 289 G C 0.071 175.007 174.900 0.061 0.000 1.113 289 G CA 0.342 45.475 45.100 0.056 0.000 0.655 289 G HN 0.238 nan 8.290 nan 0.000 0.513 290 E N 1.569 121.825 120.200 0.094 0.000 2.415 290 E HA 0.385 4.722 4.350 -0.021 0.000 0.260 290 E C 1.671 178.350 176.600 0.130 0.000 1.016 290 E CA 0.377 56.837 56.400 0.099 0.000 0.924 290 E CB 1.287 31.051 29.700 0.106 0.000 0.961 290 E HN 1.050 nan 8.360 nan 0.000 0.459 291 V N 2.075 122.103 119.914 0.189 0.000 2.214 291 V HA -0.225 3.882 4.120 -0.021 0.000 0.244 291 V C 1.602 177.877 176.094 0.303 0.000 1.045 291 V CA 2.624 65.146 62.300 0.369 0.000 0.993 291 V CB -1.537 30.471 31.823 0.310 0.000 0.633 291 V HN 0.901 nan 8.190 nan 0.000 0.449 292 E N -2.139 118.161 120.200 0.167 0.000 3.799 292 E HA -0.337 4.001 4.350 -0.021 0.000 0.320 292 E C 0.193 176.873 176.600 0.133 0.000 0.760 292 E CA 1.363 57.849 56.400 0.144 0.000 1.153 292 E CB -2.885 26.929 29.700 0.189 0.000 1.589 292 E HN 1.753 nan 8.360 nan 0.000 0.448 293 W N 2.156 123.332 121.300 -0.207 0.000 2.308 293 W HA 0.609 5.257 4.660 -0.021 0.000 0.311 293 W C -0.230 176.168 176.519 -0.203 0.000 1.088 293 W CA -1.559 55.596 57.345 -0.317 0.000 1.309 293 W CB 0.910 29.838 29.460 -0.887 0.000 1.229 293 W HN -0.019 nan 8.180 nan 0.000 0.427 294 K N 5.783 126.019 120.400 -0.273 0.000 2.360 294 K HA 0.370 4.677 4.320 -0.021 0.000 0.225 294 K C 0.481 176.693 176.600 -0.646 0.000 1.246 294 K CA 0.501 56.591 56.287 -0.328 0.000 1.198 294 K CB -0.848 31.554 32.500 -0.162 0.000 1.348 294 K HN 0.754 nan 8.250 nan 0.000 0.232 295 G N 1.681 110.002 108.800 -0.799 0.000 2.347 295 G HA2 -0.069 3.878 3.960 -0.021 0.000 0.477 295 G HA3 -0.069 3.878 3.960 -0.021 0.000 0.477 295 G C -2.799 171.622 174.900 -0.797 0.000 1.349 295 G CA -0.768 43.900 45.100 -0.720 0.000 1.000 295 G HN 0.083 nan 8.290 nan 0.000 0.605 296 P HA 0.232 nan 4.420 nan 0.000 0.267 296 P C -0.070 177.564 177.300 0.557 0.000 1.289 296 P CA 0.596 63.703 63.100 0.012 0.000 0.866 296 P CB 0.368 31.983 31.700 -0.140 0.000 1.309 297 W N 0.650 121.921 121.300 -0.048 0.000 0.359 297 W HA 0.243 4.891 4.660 -0.021 0.000 0.300 297 W C -1.498 175.043 176.519 0.038 0.000 0.643 297 W CA 0.005 57.469 57.345 0.198 0.000 0.892 297 W CB -1.040 28.550 29.460 0.217 0.000 0.902 297 W HN -0.127 nan 8.180 nan 0.000 0.500 301 S N -0.249 115.395 115.700 -0.094 0.000 2.596 301 S HA 0.381 4.838 4.470 -0.021 0.000 0.262 301 S C 0.493 174.981 174.600 -0.187 0.000 1.218 301 S CA 0.050 58.199 58.200 -0.085 0.000 0.998 301 S CB -0.314 62.877 63.200 -0.016 0.000 1.060 301 S HN 0.362 nan 8.310 nan 0.000 0.552 302 Y N 0.692 120.869 120.300 -0.205 0.000 3.078 302 Y HA -0.012 4.525 4.550 -0.021 0.000 0.381 302 Y C 0.414 175.748 175.900 -0.944 0.000 1.155 302 Y CA 0.915 58.734 58.100 -0.469 0.000 1.574 302 Y CB -1.624 36.587 38.460 -0.415 0.000 1.034 302 Y HN 0.706 nan 8.280 nan 0.000 0.579 303 E N 2.514 122.159 120.200 -0.924 0.000 2.460 303 E HA 0.361 4.698 4.350 -0.021 0.000 0.277 303 E C 1.116 177.387 176.600 -0.548 0.000 1.010 303 E CA -0.470 55.458 56.400 -0.787 0.000 0.838 303 E CB 0.154 29.660 29.700 -0.323 0.000 1.448 303 E HN 0.804 nan 8.360 nan 0.000 0.462 304 W N 1.933 123.052 121.300 -0.300 0.000 2.287 304 W HA -0.320 4.327 4.660 -0.021 0.000 0.341 304 W C 1.345 177.751 176.519 -0.188 0.000 1.361 304 W CA 3.154 60.418 57.345 -0.135 0.000 1.241 304 W CB -0.378 29.038 29.460 -0.073 0.000 1.120 304 W HN 0.861 nan 8.180 nan 0.000 0.468 305 N N -0.230 118.495 118.700 0.042 0.000 2.322 305 N HA 0.011 4.738 4.740 -0.021 0.000 0.181 305 N C 0.666 176.143 175.510 -0.056 0.000 1.088 305 N CA -0.229 52.834 53.050 0.022 0.000 0.885 305 N CB 0.020 38.617 38.487 0.183 0.000 1.013 305 N HN -0.101 nan 8.380 nan 0.000 0.472 306 K N 2.273 122.627 120.400 -0.076 0.000 2.168 306 K HA 0.101 4.408 4.320 -0.021 0.000 0.258 306 K C 0.413 177.000 176.600 -0.022 0.000 1.010 306 K CA -0.490 55.764 56.287 -0.054 0.000 0.929 306 K CB 0.926 33.395 32.500 -0.052 0.000 0.998 306 K HN 0.048 nan 8.250 nan 0.000 0.479 307 V N 0.963 120.892 119.914 0.026 0.000 3.122 307 V HA -0.080 4.027 4.120 -0.021 0.000 0.281 307 V C -0.521 175.616 176.094 0.072 0.000 1.107 307 V CA 0.977 63.299 62.300 0.037 0.000 1.241 307 V CB -1.134 30.695 31.823 0.010 0.000 0.770 307 V HN 0.896 nan 8.190 nan 0.000 0.419 308 D N 5.358 125.751 120.400 -0.011 0.000 2.127 308 D HA 0.325 4.952 4.640 -0.021 0.000 0.167 308 D C -2.986 173.243 176.300 -0.117 0.000 1.210 308 D CA -0.660 53.322 54.000 -0.030 0.000 0.976 308 D CB 1.505 42.237 40.800 -0.113 0.000 1.975 308 D HN 0.456 nan 8.370 nan 0.000 0.527 309 P HA 0.073 nan 4.420 nan 0.000 0.271 309 P C 0.550 177.824 177.300 -0.045 0.000 1.226 309 P CA -0.203 62.879 63.100 -0.029 0.000 0.765 309 P CB 0.431 32.134 31.700 0.006 0.000 0.835 310 Y N 2.545 122.804 120.300 -0.069 0.000 2.215 310 Y HA -0.338 4.200 4.550 -0.021 0.000 0.282 310 Y C 2.430 178.274 175.900 -0.093 0.000 1.207 310 Y CA 2.470 60.517 58.100 -0.089 0.000 1.196 310 Y CB -0.394 38.039 38.460 -0.046 0.000 0.969 310 Y HN 0.439 nan 8.280 nan 0.000 0.528 311 E N 0.924 121.201 120.200 0.128 0.000 2.035 311 E HA -0.281 4.056 4.350 -0.021 0.000 0.204 311 E C 1.473 178.069 176.600 -0.007 0.000 1.025 311 E CA 1.741 58.178 56.400 0.062 0.000 0.835 311 E CB -0.335 29.382 29.700 0.028 0.000 0.764 311 E HN 0.078 nan 8.360 nan 0.000 0.457 312 R N 0.427 120.892 120.500 -0.058 0.000 4.031 312 R HA 0.197 4.524 4.340 -0.021 0.000 0.269 312 R C 0.047 176.225 176.300 -0.205 0.000 1.668 312 R CA 0.542 56.578 56.100 -0.105 0.000 1.432 312 R CB -0.707 29.555 30.300 -0.063 0.000 1.374 312 R HN 0.433 nan 8.270 nan 0.000 0.681 313 E N -0.525 119.523 120.200 -0.254 0.000 2.228 313 E HA -0.119 4.218 4.350 -0.021 0.000 0.170 313 E C 0.476 176.831 176.600 -0.409 0.000 0.895 313 E CA 0.435 56.529 56.400 -0.510 0.000 1.342 313 E CB 0.092 29.351 29.700 -0.734 0.000 2.091 313 E HN 0.543 nan 8.360 nan 0.000 0.754 314 Q N 0.104 119.890 119.800 -0.024 0.000 2.259 314 Q HA 0.167 4.495 4.340 -0.021 0.000 0.201 314 Q C 2.397 178.444 176.000 0.078 0.000 0.938 314 Q CA 1.339 57.244 55.803 0.170 0.000 0.872 314 Q CB -0.825 28.051 28.738 0.230 0.000 0.971 314 Q HN 0.093 nan 8.270 nan 0.000 0.494 315 L N 1.086 122.313 121.223 0.006 0.000 2.123 315 L HA -0.308 4.019 4.340 -0.021 0.000 0.217 315 L C 2.786 179.615 176.870 -0.069 0.000 1.081 315 L CA 3.644 58.465 54.840 -0.031 0.000 0.772 315 L CB -2.695 39.310 42.059 -0.090 0.000 0.890 315 L HN 0.646 nan 8.230 nan 0.000 0.437 316 R N -0.282 120.077 120.500 -0.235 0.000 2.094 316 R HA 0.329 4.656 4.340 -0.021 0.000 0.214 316 R C 1.790 178.285 176.300 0.325 0.000 1.174 316 R CA 1.291 57.220 56.100 -0.285 0.000 0.919 316 R CB -1.707 28.078 30.300 -0.859 0.000 0.795 316 R HN 1.696 nan 8.270 nan 0.000 0.465 317 V N 0.264 120.471 119.914 0.489 0.000 2.915 317 V HA 0.042 4.149 4.120 -0.021 0.000 0.289 317 V C 0.481 176.811 176.094 0.394 0.000 1.067 317 V CA 1.439 64.088 62.300 0.581 0.000 1.238 317 V CB -0.518 31.646 31.823 0.568 0.000 0.809 317 V HN 0.738 nan 8.190 nan 0.000 0.449 318 K N 4.625 125.245 120.400 0.367 0.000 3.564 318 K HA 0.445 4.753 4.320 -0.021 0.000 0.157 318 K C -0.833 175.861 176.600 0.158 0.000 1.017 318 K CA -0.314 56.109 56.287 0.227 0.000 0.802 318 K CB 0.541 33.163 32.500 0.203 0.000 0.764 318 K HN 0.923 nan 8.250 nan 0.000 0.460 319 M N 0.145 119.828 119.600 0.138 0.000 2.755 319 M HA 0.262 4.729 4.480 -0.021 0.000 0.276 319 M C -2.055 174.278 176.300 0.055 0.000 1.129 319 M CA -0.354 54.992 55.300 0.077 0.000 0.832 319 M CB 2.010 34.635 32.600 0.042 0.000 1.700 319 M HN 0.162 nan 8.290 nan 0.000 0.518 320 E N -0.157 120.056 120.200 0.021 0.000 2.245 320 E HA 0.354 4.691 4.350 -0.021 0.000 0.199 320 E C -1.194 175.403 176.600 -0.005 0.000 0.951 320 E CA -0.170 56.242 56.400 0.021 0.000 0.866 320 E CB 1.141 30.860 29.700 0.031 0.000 2.026 320 E HN 0.806 nan 8.360 nan 0.000 0.436 321 D N -0.287 120.116 120.400 0.003 0.000 2.733 321 D HA -0.160 4.467 4.640 -0.021 0.000 0.228 321 D C -0.594 175.681 176.300 -0.042 0.000 1.182 321 D CA 2.142 56.136 54.000 -0.010 0.000 0.620 321 D CB -1.200 39.587 40.800 -0.023 0.000 1.027 321 D HN 0.706 nan 8.370 nan 0.000 0.415 322 G N -0.545 108.239 108.800 -0.028 0.000 2.237 322 G HA2 0.077 4.024 3.960 -0.021 0.000 0.234 322 G HA3 0.077 4.024 3.960 -0.021 0.000 0.234 322 G C 0.118 174.969 174.900 -0.081 0.000 1.842 322 G CA 0.141 45.159 45.100 -0.137 0.000 1.208 322 G HN 0.181 nan 8.290 nan 0.000 0.644 323 E N 1.193 121.471 120.200 0.129 0.000 2.226 323 E HA 0.682 5.020 4.350 -0.021 0.000 0.238 323 E C 0.870 177.625 176.600 0.258 0.000 0.859 323 E CA 0.321 56.817 56.400 0.160 0.000 1.114 323 E CB -0.062 29.761 29.700 0.206 0.000 1.184 323 E HN 1.005 nan 8.360 nan 0.000 0.517 324 F N -1.440 118.608 119.950 0.162 0.000 2.057 324 F HA -0.178 4.336 4.527 -0.021 0.000 0.427 324 F C -0.167 175.759 175.800 0.211 0.000 1.188 324 F CA 0.897 59.088 58.000 0.318 0.000 1.377 324 F CB -1.118 37.939 39.000 0.094 0.000 2.196 324 F HN 0.489 nan 8.300 nan 0.000 0.728 325 W N 4.663 126.339 121.300 0.627 0.000 2.075 325 W HA 0.418 5.065 4.660 -0.021 0.000 0.332 325 W C 0.393 177.112 176.519 0.333 0.000 0.905 325 W CA -0.655 56.936 57.345 0.410 0.000 2.126 325 W CB 0.226 29.968 29.460 0.469 0.000 1.143 325 W HN 0.544 nan 8.180 nan 0.000 0.542 326 M N 1.779 121.713 119.600 0.557 0.000 2.146 326 M HA -0.097 4.371 4.480 -0.021 0.000 0.401 326 M C 0.680 177.095 176.300 0.192 0.000 1.144 326 M CA 1.327 56.797 55.300 0.283 0.000 0.764 326 M CB 0.318 32.609 32.600 -0.515 0.000 1.819 326 M HN 0.104 nan 8.290 nan 0.000 0.513 327 S N 3.758 119.564 115.700 0.177 0.000 2.600 327 S HA 0.197 4.654 4.470 -0.021 0.000 0.265 327 S C 0.453 175.102 174.600 0.081 0.000 1.325 327 S CA -0.652 57.573 58.200 0.043 0.000 1.002 327 S CB 0.567 63.901 63.200 0.224 0.000 0.921 327 S HN 0.763 nan 8.310 nan 0.000 0.554 328 F N 1.940 121.787 119.950 -0.172 0.000 2.549 328 F HA -0.030 4.484 4.527 -0.022 0.000 0.295 328 F C 2.184 177.672 175.800 -0.520 0.000 1.124 328 F CA 0.610 58.399 58.000 -0.351 0.000 1.482 328 F CB -0.422 38.400 39.000 -0.297 0.000 1.108 328 F HN 0.779 nan 8.300 nan 0.000 0.602 329 R N 0.900 121.230 120.500 -0.283 0.000 3.457 329 R HA -0.071 4.256 4.340 -0.021 0.000 0.218 329 R C 0.898 177.082 176.300 -0.194 0.000 1.833 329 R CA 0.850 56.809 56.100 -0.234 0.000 1.554 329 R CB -1.400 28.906 30.300 0.009 0.000 1.143 329 R HN 0.392 nan 8.270 nan 0.000 0.557 330 D N 0.226 120.402 120.400 -0.374 0.000 2.349 330 D HA -0.118 4.509 4.640 -0.021 0.000 0.224 330 D C 0.802 176.974 176.300 -0.214 0.000 1.029 330 D CA -0.001 53.854 54.000 -0.241 0.000 0.879 330 D CB -0.258 40.453 40.800 -0.148 0.000 0.906 330 D HN 0.479 nan 8.370 nan 0.000 0.528 331 F N 1.060 120.888 119.950 -0.203 0.000 2.163 331 F HA -0.003 4.511 4.527 -0.021 0.000 0.297 331 F C 2.532 178.257 175.800 -0.126 0.000 1.094 331 F CA 0.352 58.231 58.000 -0.201 0.000 1.290 331 F CB -0.228 38.608 39.000 -0.274 0.000 1.017 331 F HN -0.045 nan 8.300 nan 0.000 0.483 332 I N 0.218 120.902 120.570 0.189 0.000 2.756 332 I HA -0.094 4.064 4.170 -0.021 0.000 0.262 332 I C 0.060 176.220 176.117 0.071 0.000 1.225 332 I CA 1.113 62.470 61.300 0.096 0.000 1.472 332 I CB -0.074 37.974 38.000 0.079 0.000 1.094 332 I HN -0.013 nan 8.210 nan 0.000 0.454 333 R N 1.883 122.421 120.500 0.063 0.000 2.371 333 R HA 0.523 4.850 4.340 -0.021 0.000 0.312 333 R C -1.351 174.970 176.300 0.036 0.000 0.980 333 R CA -0.324 55.797 56.100 0.035 0.000 0.867 333 R CB 1.018 31.323 30.300 0.009 0.000 1.163 333 R HN 0.242 nan 8.270 nan 0.000 0.492 334 E N 1.455 121.690 120.200 0.058 0.000 7.514 334 E HA -0.169 4.168 4.350 -0.021 0.000 0.251 334 E C -1.085 175.593 176.600 0.131 0.000 0.830 334 E CA -0.013 56.443 56.400 0.094 0.000 1.581 334 E CB -0.515 29.235 29.700 0.083 0.000 0.903 334 E HN 0.493 nan 8.360 nan 0.000 0.262 335 F N 2.641 122.627 119.950 0.060 0.000 2.317 335 F HA 0.373 4.887 4.527 -0.022 0.000 0.290 335 F C 0.995 176.855 175.800 0.099 0.000 1.075 335 F CA 1.791 59.828 58.000 0.063 0.000 1.380 335 F CB 0.660 39.686 39.000 0.044 0.000 1.093 335 F HN 0.381 nan 8.300 nan 0.000 0.524 336 T N -0.500 114.334 114.554 0.468 0.000 2.618 336 T HA 0.405 4.742 4.350 -0.021 0.000 0.286 336 T C -1.960 172.928 174.700 0.313 0.000 1.027 336 T CA -0.770 61.580 62.100 0.417 0.000 1.063 336 T CB 1.499 70.723 68.868 0.592 0.000 1.440 336 T HN -0.057 nan 8.240 nan 0.000 0.505 337 K N 2.316 122.916 120.400 0.333 0.000 2.610 337 K HA 0.346 4.653 4.320 -0.021 0.000 0.274 337 K C -2.008 174.762 176.600 0.284 0.000 1.049 337 K CA -0.310 56.146 56.287 0.282 0.000 0.945 337 K CB 0.666 33.348 32.500 0.302 0.000 1.313 337 K HN 0.514 nan 8.250 nan 0.000 0.463 338 L N 3.335 124.669 121.223 0.185 0.000 2.313 338 L HA 0.450 4.777 4.340 -0.021 0.000 0.283 338 L C 0.053 176.930 176.870 0.012 0.000 1.013 338 L CA -0.652 54.256 54.840 0.112 0.000 0.816 338 L CB 1.777 43.867 42.059 0.051 0.000 1.236 338 L HN 0.603 nan 8.230 nan 0.000 0.419 339 E N 4.387 124.579 120.200 -0.014 0.000 2.191 339 E HA 0.439 4.776 4.350 -0.021 0.000 0.274 339 E C -1.184 175.292 176.600 -0.206 0.000 0.948 339 E CA -0.770 55.581 56.400 -0.081 0.000 0.802 339 E CB 1.509 31.229 29.700 0.033 0.000 1.137 339 E HN 0.378 nan 8.360 nan 0.000 0.397 340 I N 4.452 124.834 120.570 -0.313 0.000 2.428 340 I HA 0.209 4.366 4.170 -0.021 0.000 0.279 340 I C -0.354 175.635 176.117 -0.212 0.000 1.040 340 I CA -0.935 60.142 61.300 -0.371 0.000 1.171 340 I CB -0.027 37.618 38.000 -0.592 0.000 1.312 340 I HN 0.506 nan 8.210 nan 0.000 0.470 341 C N 5.363 124.563 119.300 -0.168 0.000 2.651 341 C HA 0.112 4.559 4.460 -0.021 0.000 0.410 341 C C 1.129 176.032 174.990 -0.145 0.000 1.372 341 C CA -0.504 58.469 59.018 -0.076 0.000 1.707 341 C CB -1.377 26.177 27.740 -0.310 0.000 2.501 341 C HN 0.587 nan 8.230 nan 0.000 0.598 342 N N 2.893 121.639 118.700 0.077 0.000 2.492 342 N HA 0.263 4.990 4.740 -0.021 0.000 0.260 342 N C -0.379 175.272 175.510 0.235 0.000 1.215 342 N CA -0.309 52.818 53.050 0.129 0.000 0.923 342 N CB 0.319 38.884 38.487 0.130 0.000 1.092 342 N HN 0.400 nan 8.380 nan 0.000 0.448 343 L N 0.727 122.050 121.223 0.167 0.000 2.453 343 L HA 0.114 4.441 4.340 -0.021 0.000 0.272 343 L C 1.973 178.917 176.870 0.123 0.000 1.182 343 L CA -0.166 54.748 54.840 0.124 0.000 0.858 343 L CB -0.941 41.173 42.059 0.092 0.000 1.120 343 L HN 0.610 nan 8.230 nan 0.000 0.474 344 T N 0.733 115.354 114.554 0.113 0.000 2.572 344 T HA -0.201 4.136 4.350 -0.021 0.000 0.258 344 T C -0.831 173.907 174.700 0.064 0.000 1.154 344 T CA 1.314 63.473 62.100 0.098 0.000 1.157 344 T CB -2.145 66.766 68.868 0.071 0.000 0.856 344 T HN 0.735 nan 8.240 nan 0.000 0.443 349 K N 1.501 121.904 120.400 0.006 0.000 2.255 349 K HA 0.011 4.318 4.320 -0.021 0.000 0.245 349 K C -0.124 176.479 176.600 0.005 0.000 1.352 349 K CA 0.781 57.073 56.287 0.009 0.000 1.315 349 K CB -0.046 32.458 32.500 0.006 0.000 0.732 349 K HN 0.152 nan 8.250 nan 0.000 0.526 350 S N 2.260 117.964 115.700 0.007 0.000 2.604 350 S HA 0.130 4.587 4.470 -0.021 0.000 0.296 350 S C -0.555 174.047 174.600 0.003 0.000 1.097 350 S CA -0.953 57.249 58.200 0.003 0.000 0.883 350 S CB 1.022 64.224 63.200 0.002 0.000 1.081 350 S HN 0.675 nan 8.310 nan 0.000 0.448 351 R N 2.200 122.701 120.500 0.001 0.000 4.825 351 R HA 0.008 4.335 4.340 -0.021 0.000 0.189 351 R C 0.566 176.863 176.300 -0.005 0.000 2.283 351 R CA 0.340 56.438 56.100 -0.003 0.000 1.847 351 R CB -0.639 29.660 30.300 -0.002 0.000 1.229 351 R HN 0.466 nan 8.270 nan 0.000 0.742 352 T N 0.498 115.048 114.554 -0.005 0.000 3.945 352 T HA 0.420 4.757 4.350 -0.021 0.000 0.306 352 T C 0.815 175.503 174.700 -0.020 0.000 1.475 352 T CA 0.430 62.525 62.100 -0.010 0.000 1.177 352 T CB -0.610 68.255 68.868 -0.005 0.000 1.272 352 T HN 0.409 nan 8.240 nan 0.000 0.930 353 L N 2.368 123.574 121.223 -0.029 0.000 7.798 353 L HA 0.068 4.396 4.340 -0.021 0.000 0.053 353 L C 0.045 176.879 176.870 -0.059 0.000 1.944 353 L CA 0.023 54.834 54.840 -0.048 0.000 1.203 353 L CB -1.540 40.481 42.059 -0.064 0.000 3.106 353 L HN 0.602 nan 8.230 nan 0.000 1.256 354 R N 1.691 122.133 120.500 -0.097 0.000 2.856 354 R HA 0.667 4.994 4.340 -0.021 0.000 0.258 354 R C 0.551 176.778 176.300 -0.122 0.000 1.066 354 R CA -0.228 55.803 56.100 -0.115 0.000 1.045 354 R CB 1.210 31.422 30.300 -0.147 0.000 1.178 354 R HN 1.046 nan 8.270 nan 0.000 0.499 355 N N -0.007 118.644 118.700 -0.083 0.000 2.223 355 N HA 0.121 4.849 4.740 -0.021 0.000 0.258 355 N C -0.394 175.173 175.510 0.095 0.000 1.251 355 N CA -0.212 52.850 53.050 0.021 0.000 0.894 355 N CB 0.591 39.096 38.487 0.031 0.000 1.204 355 N HN 0.646 nan 8.380 nan 0.000 0.398 356 W N 0.584 121.899 121.300 0.024 0.000 3.908 356 W HA 0.097 4.745 4.660 -0.021 0.000 0.256 356 W C -1.372 175.130 176.519 -0.029 0.000 1.252 356 W CA -0.744 56.631 57.345 0.050 0.000 1.423 356 W CB 0.010 29.534 29.460 0.107 0.000 0.772 356 W HN 0.215 nan 8.180 nan 0.000 0.353 357 N N 2.519 121.396 118.700 0.297 0.000 2.454 357 N HA 0.246 4.973 4.740 -0.021 0.000 0.254 357 N C -0.028 175.429 175.510 -0.088 0.000 1.228 357 N CA 0.828 53.935 53.050 0.095 0.000 0.900 357 N CB 1.491 40.031 38.487 0.088 0.000 1.089 357 N HN 0.091 nan 8.380 nan 0.000 0.449 358 T N 0.098 114.559 114.554 -0.155 0.000 2.906 358 T HA 0.709 5.047 4.350 -0.021 0.000 0.295 358 T C -0.371 174.267 174.700 -0.103 0.000 1.075 358 T CA -0.629 61.293 62.100 -0.296 0.000 1.005 358 T CB 1.891 70.502 68.868 -0.429 0.000 1.136 358 T HN 0.674 nan 8.240 nan 0.000 0.498 359 T N 0.161 114.697 114.554 -0.031 0.000 0.000 359 T HA 0.568 4.905 4.350 -0.021 0.000 0.000 359 T C -1.493 173.218 174.700 0.019 0.000 0.000 359 T CA -1.101 60.929 62.100 -0.117 0.000 0.000 359 T CB 0.057 68.804 68.868 -0.203 0.000 0.000 359 T HN 0.680 nan 8.240 nan 0.000 0.000 360 F N 0.233 119.930 119.950 -0.421 0.000 2.599 360 F HA 0.915 5.429 4.527 -0.021 0.000 0.311 360 F C -2.090 173.345 175.800 -0.608 0.000 1.076 360 F CA -1.658 56.183 58.000 -0.265 0.000 0.937 360 F CB 1.482 40.439 39.000 -0.071 0.000 1.282 360 F HN 0.676 nan 8.300 nan 0.000 0.460 361 Y N 0.284 120.690 120.300 0.177 0.000 2.401 361 Y HA 0.356 4.894 4.550 -0.020 0.000 0.330 361 Y C -0.877 175.031 175.900 0.013 0.000 1.071 361 Y CA -1.165 56.938 58.100 0.004 0.000 1.049 361 Y CB 1.984 40.416 38.460 -0.045 0.000 1.239 361 Y HN 0.611 nan 8.280 nan 0.000 0.437 362 E N 1.883 122.168 120.200 0.142 0.000 2.313 362 E HA 0.638 4.975 4.350 -0.021 0.000 0.276 362 E C 0.014 176.449 176.600 -0.276 0.000 1.031 362 E CA -0.564 55.794 56.400 -0.071 0.000 0.857 362 E CB 1.510 31.201 29.700 -0.014 0.000 1.040 362 E HN 0.798 nan 8.360 nan 0.000 0.408 363 G N 1.123 109.414 108.800 -0.848 0.000 2.695 363 G HA2 0.606 4.553 3.960 -0.021 0.000 0.290 363 G HA3 0.606 4.553 3.960 -0.021 0.000 0.290 363 G C -0.893 173.316 174.900 -1.151 0.000 1.410 363 G CA -0.599 43.931 45.100 -0.951 0.000 0.844 363 G HN 0.481 nan 8.290 nan 0.000 0.478 364 T N -2.889 111.353 114.554 -0.520 0.000 2.887 364 T HA 0.756 5.093 4.350 -0.021 0.000 0.292 364 T C -1.757 172.885 174.700 -0.096 0.000 1.087 364 T CA -0.846 61.065 62.100 -0.316 0.000 1.009 364 T CB 2.332 71.099 68.868 -0.168 0.000 1.203 364 T HN 0.541 nan 8.240 nan 0.000 0.518 365 W N 1.343 122.764 121.300 0.202 0.000 2.756 365 W HA 0.520 5.168 4.660 -0.019 0.000 0.333 365 W C -0.510 176.055 176.519 0.078 0.000 1.025 365 W CA -0.811 56.623 57.345 0.149 0.000 1.246 365 W CB 1.769 31.325 29.460 0.160 0.000 1.358 365 W HN 0.543 nan 8.180 nan 0.000 0.444 366 R N 1.988 122.636 120.500 0.245 0.000 2.589 366 R HA 0.477 4.805 4.340 -0.021 0.000 0.293 366 R C 0.439 176.784 176.300 0.076 0.000 0.963 366 R CA -1.393 54.774 56.100 0.113 0.000 0.905 366 R CB 1.823 32.139 30.300 0.027 0.000 1.144 366 R HN 0.438 nan 8.270 nan 0.000 0.459 367 R N 0.557 121.086 120.500 0.049 0.000 2.486 367 R HA -0.041 4.287 4.340 -0.021 0.000 0.304 367 R C 0.905 177.108 176.300 -0.162 0.000 0.913 367 R CA 1.410 57.514 56.100 0.006 0.000 1.124 367 R CB -0.205 30.101 30.300 0.011 0.000 0.891 367 R HN 1.008 nan 8.270 nan 0.000 0.410 368 G N 1.460 109.968 108.800 -0.487 0.000 2.148 368 G HA2 -0.353 3.594 3.960 -0.021 0.000 0.254 368 G HA3 -0.353 3.594 3.960 -0.021 0.000 0.254 368 G C 0.544 174.889 174.900 -0.925 0.000 0.981 368 G CA 0.644 45.031 45.100 -1.188 0.000 0.670 368 G HN 0.695 nan 8.290 nan 0.000 0.528 369 S N -2.500 112.927 115.700 -0.454 0.000 3.171 369 S HA 0.217 4.674 4.470 -0.021 0.000 0.258 369 S C 1.716 176.319 174.600 0.005 0.000 1.083 369 S CA 1.434 59.538 58.200 -0.161 0.000 0.801 369 S CB 0.132 63.279 63.200 -0.088 0.000 0.831 369 S HN 1.052 nan 8.310 nan 0.000 0.462 370 T N -0.051 114.557 114.554 0.091 0.000 2.954 370 T HA 0.533 4.871 4.350 -0.021 0.000 0.252 370 T C 0.860 175.674 174.700 0.189 0.000 0.983 370 T CA 0.397 62.564 62.100 0.111 0.000 0.941 370 T CB -0.041 68.933 68.868 0.176 0.000 1.141 370 T HN 0.511 nan 8.240 nan 0.000 0.500 371 A N 1.800 124.756 122.820 0.228 0.000 2.899 371 A HA 0.630 4.937 4.320 -0.021 0.000 0.287 371 A C 1.625 179.193 177.584 -0.027 0.000 1.715 371 A CA 0.016 52.115 52.037 0.103 0.000 1.393 371 A CB -0.916 18.189 19.000 0.174 0.000 1.070 371 A HN 0.516 nan 8.150 nan 0.000 0.587 372 G N 0.819 109.521 108.800 -0.163 0.000 2.603 372 G HA2 0.447 4.394 3.960 -0.021 0.000 0.214 372 G HA3 0.447 4.394 3.960 -0.021 0.000 0.214 372 G C 0.991 175.728 174.900 -0.272 0.000 1.140 372 G CA 0.668 45.599 45.100 -0.282 0.000 0.800 372 G HN 1.939 nan 8.290 nan 0.000 0.533 373 G N -1.372 107.265 108.800 -0.272 0.000 2.710 373 G HA2 0.050 3.997 3.960 -0.021 0.000 0.668 373 G HA3 0.050 3.997 3.960 -0.021 0.000 0.668 373 G C 0.422 175.342 174.900 0.034 0.000 1.320 373 G CA -0.271 44.668 45.100 -0.267 0.000 0.860 373 G HN 1.366 nan 8.290 nan 0.000 0.538 374 C N -1.379 117.853 119.300 -0.114 0.000 2.574 374 C HA 0.892 5.339 4.460 -0.021 0.000 0.335 374 C C 2.589 177.224 174.990 -0.592 0.000 1.493 374 C CA 1.191 60.076 59.018 -0.222 0.000 2.217 374 C CB 0.165 27.417 27.740 -0.813 0.000 2.056 374 C HN 2.328 nan 8.230 nan 0.000 0.607 375 R N 0.306 119.943 120.500 -1.439 0.000 2.159 375 R HA -0.104 4.223 4.340 -0.021 0.000 0.237 375 R C 1.443 177.400 176.300 -0.572 0.000 1.131 375 R CA 2.199 57.503 56.100 -1.327 0.000 0.982 375 R CB -1.764 27.930 30.300 -1.010 0.000 0.868 375 R HN 0.848 nan 8.270 nan 0.000 0.453 376 N N -0.399 117.979 118.700 -0.536 0.000 2.521 376 N HA 0.020 4.748 4.740 -0.021 0.000 0.188 376 N C -0.922 174.256 175.510 -0.552 0.000 1.146 376 N CA 0.417 53.173 53.050 -0.490 0.000 0.893 376 N CB 0.121 38.245 38.487 -0.605 0.000 0.975 376 N HN 0.655 nan 8.380 nan 0.000 0.451 377 Y N 0.166 120.329 120.300 -0.228 0.000 2.836 377 Y HA 0.316 4.853 4.550 -0.021 0.000 0.359 377 Y C -1.472 174.418 175.900 -0.017 0.000 1.060 377 Y CA -2.045 55.991 58.100 -0.107 0.000 1.161 377 Y CB 1.242 39.632 38.460 -0.117 0.000 1.225 377 Y HN 0.016 nan 8.280 nan 0.000 0.621 378 P HA -0.153 nan 4.420 nan 0.000 0.223 378 P C 1.350 178.785 177.300 0.226 0.000 1.151 378 P CA 1.241 64.439 63.100 0.162 0.000 0.787 378 P CB 0.435 32.181 31.700 0.077 0.000 0.788 379 A N 0.575 123.499 122.820 0.173 0.000 1.972 379 A HA -0.147 4.160 4.320 -0.021 0.000 0.219 379 A C 2.198 179.972 177.584 0.318 0.000 1.169 379 A CA 2.663 54.815 52.037 0.192 0.000 0.635 379 A CB -1.492 17.588 19.000 0.132 0.000 0.810 379 A HN 0.403 nan 8.150 nan 0.000 0.446 380 T N -5.568 109.091 114.554 0.175 0.000 3.056 380 T HA 0.062 4.400 4.350 -0.021 0.000 0.243 380 T C 1.561 176.245 174.700 -0.026 0.000 0.995 380 T CA 0.656 62.739 62.100 -0.029 0.000 1.091 380 T CB -0.541 68.138 68.868 -0.316 0.000 0.990 380 T HN 0.181 nan 8.240 nan 0.000 0.464 381 F N 3.252 123.164 119.950 -0.063 0.000 2.105 381 F HA -0.277 4.234 4.527 -0.028 0.000 0.294 381 F C 1.895 177.556 175.800 -0.231 0.000 1.054 381 F CA 2.002 59.906 58.000 -0.161 0.000 1.276 381 F CB -0.666 38.224 39.000 -0.182 0.000 1.021 381 F HN 0.594 nan 8.300 nan 0.000 0.493 382 W N 0.975 122.016 121.300 -0.433 0.000 2.825 382 W HA 0.143 4.796 4.660 -0.012 0.000 0.243 382 W C 1.589 178.035 176.519 -0.121 0.000 1.293 382 W CA 1.173 58.260 57.345 -0.431 0.000 1.403 382 W CB -1.826 27.636 29.460 0.004 0.000 1.134 382 W HN 0.094 nan 8.180 nan 0.000 0.666 383 V N -0.136 119.201 119.914 -0.963 0.000 3.623 383 V HA 0.135 4.242 4.120 -0.021 0.000 0.271 383 V C 0.753 176.675 176.094 -0.287 0.000 1.248 383 V CA 0.002 61.856 62.300 -0.743 0.000 1.156 383 V CB -1.132 30.255 31.823 -0.727 0.000 0.870 383 V HN -0.030 nan 8.190 nan 0.000 0.453 384 N N 2.213 120.760 118.700 -0.256 0.000 2.467 384 N HA 0.373 5.100 4.740 -0.021 0.000 0.262 384 N C -2.632 172.866 175.510 -0.019 0.000 1.234 384 N CA -0.996 52.031 53.050 -0.038 0.000 0.952 384 N CB 1.005 39.467 38.487 -0.043 0.000 1.158 384 N HN 0.270 nan 8.380 nan 0.000 0.463 385 P HA 0.256 nan 4.420 nan 0.000 0.278 385 P C -0.751 176.406 177.300 -0.240 0.000 1.266 385 P CA -0.244 62.813 63.100 -0.071 0.000 0.807 385 P CB 0.919 32.630 31.700 0.018 0.000 1.094 386 Q N -0.534 118.909 119.800 -0.594 0.000 2.416 386 Q HA 0.753 5.081 4.340 -0.021 0.000 0.279 386 Q C -1.464 173.870 176.000 -1.110 0.000 1.101 386 Q CA -0.375 55.065 55.803 -0.604 0.000 0.830 386 Q CB 1.632 30.103 28.738 -0.444 0.000 1.402 386 Q HN 0.280 nan 8.270 nan 0.000 0.445 387 F N 0.543 120.491 119.950 -0.004 0.000 2.767 387 F HA 0.209 4.723 4.527 -0.021 0.000 0.341 387 F C -1.042 174.763 175.800 0.008 0.000 1.192 387 F CA -1.014 56.951 58.000 -0.058 0.000 1.127 387 F CB 1.082 40.104 39.000 0.036 0.000 1.388 387 F HN 0.258 nan 8.300 nan 0.000 0.574 388 K N 3.327 123.767 120.400 0.065 0.000 2.130 388 K HA 0.878 5.186 4.320 -0.021 0.000 0.268 388 K C -1.034 175.575 176.600 0.016 0.000 0.983 388 K CA -0.647 55.680 56.287 0.066 0.000 0.893 388 K CB 2.271 34.768 32.500 -0.006 0.000 1.066 388 K HN 0.543 nan 8.250 nan 0.000 0.450 389 I N 1.817 122.438 120.570 0.085 0.000 2.465 389 I HA 0.308 4.465 4.170 -0.021 0.000 0.291 389 I C -0.433 175.705 176.117 0.035 0.000 1.014 389 I CA -0.756 60.526 61.300 -0.030 0.000 1.093 389 I CB 2.012 39.982 38.000 -0.049 0.000 1.267 389 I HN 0.585 nan 8.210 nan 0.000 0.431 390 R N 7.041 127.518 120.500 -0.038 0.000 2.310 390 R HA 0.582 4.909 4.340 -0.021 0.000 0.316 390 R C -1.687 174.622 176.300 0.015 0.000 1.004 390 R CA -0.458 55.657 56.100 0.025 0.000 0.900 390 R CB 0.689 30.983 30.300 -0.009 0.000 1.152 390 R HN 0.631 nan 8.270 nan 0.000 0.513 391 L N 4.495 125.778 121.223 0.100 0.000 2.257 391 L HA 0.333 4.660 4.340 -0.021 0.000 0.290 391 L C 0.760 177.693 176.870 0.104 0.000 1.044 391 L CA -0.477 54.409 54.840 0.076 0.000 0.810 391 L CB 1.619 43.755 42.059 0.128 0.000 1.193 391 L HN 0.694 nan 8.230 nan 0.000 0.425 392 E N 2.311 122.551 120.200 0.066 0.000 2.184 392 E HA 0.094 4.431 4.350 -0.021 0.000 0.194 392 E C -0.073 176.566 176.600 0.065 0.000 0.978 392 E CA 0.197 56.633 56.400 0.061 0.000 0.998 392 E CB 0.295 30.019 29.700 0.040 0.000 1.240 392 E HN 0.647 nan 8.360 nan 0.000 0.492 393 E N 1.875 122.109 120.200 0.055 0.000 2.366 393 E HA 0.248 4.585 4.350 -0.021 0.000 0.266 393 E C 0.257 176.899 176.600 0.070 0.000 1.051 393 E CA -0.345 56.088 56.400 0.054 0.000 0.884 393 E CB 1.678 31.404 29.700 0.043 0.000 1.006 393 E HN 0.015 nan 8.360 nan 0.000 0.417 394 V N -0.311 119.644 119.914 0.068 0.000 2.863 394 V HA 0.230 4.338 4.120 -0.021 0.000 0.307 394 V C -0.122 176.013 176.094 0.067 0.000 1.061 394 V CA -0.767 61.579 62.300 0.077 0.000 1.024 394 V CB 1.273 33.140 31.823 0.073 0.000 1.049 394 V HN 0.597 nan 8.190 nan 0.000 0.471 395 D N 1.858 122.304 120.400 0.076 0.000 2.341 395 D HA 0.174 4.801 4.640 -0.021 0.000 0.235 395 D C -0.266 176.059 176.300 0.042 0.000 1.265 395 D CA 0.903 54.941 54.000 0.063 0.000 0.888 395 D CB 0.287 41.131 40.800 0.072 0.000 1.192 395 D HN 0.897 nan 8.370 nan 0.000 0.462 403 R N 2.673 123.193 120.500 0.033 0.000 2.455 403 R HA -0.017 4.311 4.340 -0.021 0.000 0.211 403 R C 0.857 177.182 176.300 0.041 0.000 1.143 403 R CA 1.569 57.690 56.100 0.036 0.000 1.110 403 R CB -0.471 29.852 30.300 0.038 0.000 0.819 403 R HN 0.893 nan 8.270 nan 0.000 0.485 404 E N -2.520 117.703 120.200 0.040 0.000 3.028 404 E HA -0.192 4.145 4.350 -0.021 0.000 0.346 404 E C -0.720 175.908 176.600 0.047 0.000 1.360 404 E CA 1.357 57.782 56.400 0.041 0.000 1.303 404 E CB -1.206 28.520 29.700 0.043 0.000 1.682 404 E HN 0.197 nan 8.360 nan 0.000 0.509 405 S N 1.034 116.767 115.700 0.056 0.000 2.456 405 S HA 0.567 5.024 4.470 -0.021 0.000 0.316 405 S C 0.630 175.277 174.600 0.077 0.000 1.089 405 S CA -0.432 57.806 58.200 0.063 0.000 1.101 405 S CB 1.635 64.873 63.200 0.064 0.000 0.995 405 S HN 0.700 nan 8.310 nan 0.000 0.468 406 G N 1.417 110.263 108.800 0.076 0.000 3.294 406 G HA2 -0.230 3.718 3.960 -0.021 0.000 0.766 406 G HA3 -0.230 3.718 3.960 -0.021 0.000 0.766 406 G C 0.178 175.150 174.900 0.121 0.000 0.908 406 G CA 0.434 45.589 45.100 0.093 0.000 0.931 406 G HN 1.319 nan 8.290 nan 0.000 1.165 407 C N -0.817 118.565 119.300 0.137 0.000 2.738 407 C HA 0.179 4.626 4.460 -0.021 0.000 0.270 407 C C 0.680 175.808 174.990 0.231 0.000 1.049 407 C CA 0.294 59.414 59.018 0.171 0.000 2.684 407 C CB -2.670 25.165 27.740 0.159 0.000 1.606 407 C HN 1.432 nan 8.230 nan 0.000 0.416 408 S N 2.619 118.484 115.700 0.275 0.000 2.570 408 S HA 0.991 5.449 4.470 -0.021 0.000 0.286 408 S C -0.763 174.149 174.600 0.520 0.000 1.099 408 S CA -0.227 58.186 58.200 0.356 0.000 0.913 408 S CB 2.192 65.520 63.200 0.214 0.000 1.085 408 S HN 1.741 nan 8.310 nan 0.000 0.480 409 F N 0.702 120.744 119.950 0.153 0.000 2.719 409 F HA 0.743 5.256 4.527 -0.022 0.000 0.309 409 F C -2.084 173.796 175.800 0.133 0.000 1.138 409 F CA -1.370 56.739 58.000 0.182 0.000 0.943 409 F CB 0.697 39.813 39.000 0.193 0.000 1.304 409 F HN 0.620 nan 8.300 nan 0.000 0.445 410 L N 3.128 124.504 121.223 0.254 0.000 2.325 410 L HA 0.733 5.060 4.340 -0.021 0.000 0.279 410 L C -1.361 175.554 176.870 0.075 0.000 1.054 410 L CA -0.799 54.052 54.840 0.019 0.000 0.804 410 L CB 1.646 43.637 42.059 -0.112 0.000 1.200 410 L HN 0.825 nan 8.230 nan 0.000 0.436 411 L N 4.551 125.684 121.223 -0.151 0.000 2.381 411 L HA 0.913 5.240 4.340 -0.021 0.000 0.274 411 L C -1.243 175.358 176.870 -0.449 0.000 0.988 411 L CA -0.210 54.425 54.840 -0.341 0.000 0.824 411 L CB 1.590 43.324 42.059 -0.541 0.000 1.263 411 L HN 0.795 nan 8.230 nan 0.000 0.410 412 A N 4.798 127.362 122.820 -0.426 0.000 2.520 412 A HA 0.770 5.077 4.320 -0.021 0.000 0.298 412 A C -2.081 175.358 177.584 -0.242 0.000 1.051 412 A CA -0.465 51.406 52.037 -0.277 0.000 0.690 412 A CB 1.892 20.785 19.000 -0.179 0.000 1.281 412 A HN 0.645 nan 8.150 nan 0.000 0.402 413 L N 2.420 123.563 121.223 -0.133 0.000 2.504 413 L HA 0.716 5.043 4.340 -0.021 0.000 0.265 413 L C -0.840 176.086 176.870 0.094 0.000 0.975 413 L CA -0.160 54.650 54.840 -0.049 0.000 0.864 413 L CB 1.243 43.234 42.059 -0.113 0.000 1.212 413 L HN 0.876 nan 8.230 nan 0.000 0.416 414 M N 3.701 123.402 119.600 0.167 0.000 2.478 414 M HA 0.552 5.019 4.480 -0.021 0.000 0.327 414 M C -0.942 175.512 176.300 0.257 0.000 1.187 414 M CA -0.395 55.033 55.300 0.213 0.000 1.022 414 M CB 1.608 34.363 32.600 0.258 0.000 1.629 414 M HN 0.724 nan 8.290 nan 0.000 0.461 415 Q N 3.428 123.376 119.800 0.247 0.000 2.347 415 Q HA 0.433 4.760 4.340 -0.021 0.000 0.262 415 Q C -1.116 174.922 176.000 0.065 0.000 0.980 415 Q CA -0.903 55.024 55.803 0.206 0.000 0.867 415 Q CB 1.623 30.498 28.738 0.228 0.000 1.242 415 Q HN 0.552 nan 8.270 nan 0.000 0.453 428 M N 0.391 120.027 119.600 0.060 0.000 2.705 428 M HA 0.547 5.014 4.480 -0.021 0.000 0.272 428 M C 0.385 176.730 176.300 0.075 0.000 1.172 428 M CA -0.604 54.739 55.300 0.071 0.000 0.901 428 M CB 0.855 33.502 32.600 0.078 0.000 1.516 428 M HN 0.091 nan 8.290 nan 0.000 0.530 429 E N -0.462 119.799 120.200 0.100 0.000 2.250 429 E HA 0.347 4.684 4.350 -0.021 0.000 0.269 429 E C -0.968 175.698 176.600 0.110 0.000 1.018 429 E CA -0.112 56.348 56.400 0.101 0.000 0.873 429 E CB 1.001 30.776 29.700 0.125 0.000 1.134 429 E HN 0.464 nan 8.360 nan 0.000 0.403 430 T N 3.387 118.008 114.554 0.110 0.000 2.761 430 T HA 0.415 4.752 4.350 -0.021 0.000 0.296 430 T C -0.065 174.774 174.700 0.232 0.000 0.934 430 T CA -0.166 62.032 62.100 0.163 0.000 1.091 430 T CB -0.366 68.586 68.868 0.140 0.000 0.896 430 T HN 0.366 nan 8.240 nan 0.000 0.515 431 I N 0.047 120.721 120.570 0.172 0.000 3.042 431 I HA 1.023 5.181 4.170 -0.021 0.000 0.310 431 I C 0.097 175.998 176.117 -0.361 0.000 1.117 431 I CA -1.120 60.211 61.300 0.052 0.000 1.003 431 I CB 2.416 40.480 38.000 0.107 0.000 1.228 431 I HN 0.716 nan 8.210 nan 0.000 0.443 432 G N 1.773 110.163 108.800 -0.684 0.000 2.489 432 G HA2 0.680 4.628 3.960 -0.021 0.000 0.305 432 G HA3 0.680 4.628 3.960 -0.021 0.000 0.305 432 G C -1.670 172.835 174.900 -0.658 0.000 1.311 432 G CA -0.551 43.634 45.100 -1.524 0.000 0.813 432 G HN 1.052 nan 8.290 nan 0.000 0.480 433 F N -2.658 117.026 119.950 -0.444 0.000 2.831 433 F HA 0.940 5.454 4.527 -0.022 0.000 0.318 433 F C -0.313 175.627 175.800 0.233 0.000 1.174 433 F CA -1.042 57.006 58.000 0.081 0.000 0.918 433 F CB 1.314 40.346 39.000 0.052 0.000 1.364 433 F HN 1.447 nan 8.300 nan 0.000 0.475 434 A N 0.429 123.591 122.820 0.570 0.000 2.612 434 A HA 0.763 5.071 4.320 -0.021 0.000 0.293 434 A C -2.262 175.652 177.584 0.551 0.000 1.075 434 A CA -0.477 51.827 52.037 0.444 0.000 0.680 434 A CB 1.692 20.928 19.000 0.392 0.000 1.279 434 A HN 1.989 nan 8.150 nan 0.000 0.411 435 V N 1.452 121.574 119.914 0.346 0.000 2.623 435 V HA 0.809 4.916 4.120 -0.021 0.000 0.304 435 V C -1.988 174.281 176.094 0.292 0.000 1.054 435 V CA -0.430 62.138 62.300 0.446 0.000 0.882 435 V CB 1.313 33.386 31.823 0.417 0.000 1.002 435 V HN 0.887 nan 8.190 nan 0.000 0.424 436 Y N 3.598 124.176 120.300 0.464 0.000 2.633 436 Y HA 0.620 5.157 4.550 -0.022 0.000 0.339 436 Y C 0.015 176.178 175.900 0.438 0.000 1.045 436 Y CA -0.658 57.716 58.100 0.456 0.000 1.098 436 Y CB 1.872 40.663 38.460 0.551 0.000 1.296 436 Y HN 0.658 nan 8.280 nan 0.000 0.494 437 Q N 1.132 121.267 119.800 0.557 0.000 2.316 437 Q HA 0.575 4.902 4.340 -0.021 0.000 0.264 437 Q C -1.485 174.626 176.000 0.186 0.000 0.987 437 Q CA -0.742 55.241 55.803 0.300 0.000 0.852 437 Q CB 1.651 30.493 28.738 0.173 0.000 1.287 437 Q HN 0.617 nan 8.270 nan 0.000 0.448 438 V N 6.467 126.384 119.914 0.004 0.000 2.763 438 V HA -0.002 4.105 4.120 -0.021 0.000 0.306 438 V C -1.310 174.797 176.094 0.022 0.000 1.059 438 V CA -0.739 61.549 62.300 -0.020 0.000 1.138 438 V CB 0.935 32.716 31.823 -0.070 0.000 0.940 438 V HN 0.905 nan 8.190 nan 0.000 0.489 439 P HA -0.105 nan 4.420 nan 0.000 0.215 439 P C 0.807 178.117 177.300 0.016 0.000 1.157 439 P CA 1.505 64.649 63.100 0.073 0.000 0.863 439 P CB 0.170 31.943 31.700 0.121 0.000 0.787 440 R N -2.571 117.926 120.500 -0.004 0.000 2.243 440 R HA 0.112 4.439 4.340 -0.021 0.000 0.144 440 R C -0.277 176.011 176.300 -0.020 0.000 0.877 440 R CA -0.181 55.912 56.100 -0.012 0.000 2.070 440 R CB -0.539 29.760 30.300 -0.003 0.000 1.527 440 R HN -0.011 nan 8.270 nan 0.000 0.483 441 E N 3.975 124.159 120.200 -0.026 0.000 2.734 441 E HA -0.009 4.329 4.350 -0.021 0.000 0.235 441 E C 0.399 176.978 176.600 -0.035 0.000 1.107 441 E CA 0.389 56.770 56.400 -0.032 0.000 0.951 441 E CB 0.218 29.887 29.700 -0.051 0.000 0.955 441 E HN 0.331 nan 8.360 nan 0.000 0.515 448 H N 2.017 121.057 119.070 -0.049 0.000 2.935 448 H HA -0.113 4.428 4.556 -0.024 0.000 0.341 448 H C -0.394 174.951 175.328 0.028 0.000 1.161 448 H CA 0.693 56.734 56.048 -0.011 0.000 1.135 448 H CB -0.229 29.548 29.762 0.025 0.000 1.605 448 H HN 0.666 nan 8.280 nan 0.000 0.409 449 L N 3.368 124.493 121.223 -0.163 0.000 2.499 449 L HA -0.006 4.321 4.340 -0.021 0.000 0.273 449 L C 1.242 178.273 176.870 0.268 0.000 1.195 449 L CA 0.537 55.306 54.840 -0.117 0.000 0.882 449 L CB 0.307 42.065 42.059 -0.501 0.000 1.133 449 L HN 0.126 nan 8.230 nan 0.000 0.483 450 K N 2.562 123.114 120.400 0.252 0.000 2.362 450 K HA 0.164 4.471 4.320 -0.021 0.000 0.245 450 K C 0.941 177.628 176.600 0.144 0.000 1.040 450 K CA -0.574 55.853 56.287 0.234 0.000 0.961 450 K CB 0.335 32.809 32.500 -0.043 0.000 1.252 450 K HN 0.416 nan 8.250 nan 0.000 0.503 451 R N 0.673 120.932 120.500 -0.401 0.000 2.241 451 R HA -0.142 4.185 4.340 -0.021 0.000 0.224 451 R C 0.572 176.875 176.300 0.005 0.000 1.101 451 R CA 1.547 57.425 56.100 -0.370 0.000 0.995 451 R CB 0.023 29.739 30.300 -0.973 0.000 0.870 451 R HN 0.388 nan 8.270 nan 0.000 0.463 452 D N 0.147 120.522 120.400 -0.043 0.000 2.117 452 D HA -0.175 4.452 4.640 -0.021 0.000 0.198 452 D C 1.413 177.687 176.300 -0.045 0.000 0.982 452 D CA 1.040 55.018 54.000 -0.036 0.000 0.828 452 D CB -0.324 40.447 40.800 -0.048 0.000 0.967 452 D HN 0.218 nan 8.370 nan 0.000 0.464 453 F N 0.373 120.223 119.950 -0.167 0.000 2.120 453 F HA -0.231 4.285 4.527 -0.019 0.000 0.300 453 F C 1.849 177.410 175.800 -0.399 0.000 1.095 453 F CA 1.492 59.284 58.000 -0.347 0.000 1.249 453 F CB -0.363 38.263 39.000 -0.624 0.000 0.995 453 F HN -0.103 nan 8.300 nan 0.000 0.480 454 F N -0.152 119.749 119.950 -0.083 0.000 2.416 454 F HA 0.063 4.573 4.527 -0.029 0.000 0.296 454 F C 1.732 177.496 175.800 -0.059 0.000 1.099 454 F CA 0.366 58.309 58.000 -0.096 0.000 1.427 454 F CB -0.387 38.716 39.000 0.173 0.000 1.079 454 F HN -0.157 nan 8.300 nan 0.000 0.536 455 L N -0.539 120.753 121.223 0.115 0.000 2.650 455 L HA 0.130 4.457 4.340 -0.021 0.000 0.235 455 L C 1.653 178.499 176.870 -0.040 0.000 1.149 455 L CA 0.556 55.423 54.840 0.046 0.000 0.887 455 L CB -0.748 41.329 42.059 0.030 0.000 1.021 455 L HN 0.189 nan 8.230 nan 0.000 0.441 456 A N -1.605 121.127 122.820 -0.146 0.000 2.027 456 A HA 0.225 4.532 4.320 -0.021 0.000 0.196 456 A C 0.849 178.301 177.584 -0.221 0.000 1.573 456 A CA -0.209 51.718 52.037 -0.183 0.000 1.097 456 A CB 0.430 19.305 19.000 -0.210 0.000 1.196 456 A HN 0.250 nan 8.150 nan 0.000 0.462 457 N N -0.595 117.899 118.700 -0.344 0.000 2.525 457 N HA 0.657 5.385 4.740 -0.021 0.000 0.288 457 N C -0.563 174.973 175.510 0.043 0.000 1.242 457 N CA 0.079 52.993 53.050 -0.228 0.000 0.905 457 N CB 1.849 40.066 38.487 -0.450 0.000 1.258 457 N HN 0.292 nan 8.380 nan 0.000 0.551 458 A N 0.077 122.958 122.820 0.101 0.000 2.330 458 A HA 0.460 4.767 4.320 -0.021 0.000 0.329 458 A C -0.327 177.261 177.584 0.006 0.000 1.135 458 A CA -0.502 51.592 52.037 0.095 0.000 0.817 458 A CB 1.232 20.254 19.000 0.035 0.000 1.269 458 A HN 0.443 nan 8.150 nan 0.000 0.469 459 S N 0.138 115.716 115.700 -0.204 0.000 2.499 459 S HA 0.448 4.906 4.470 -0.021 0.000 0.275 459 S C -0.009 174.452 174.600 -0.231 0.000 1.257 459 S CA -0.357 57.505 58.200 -0.563 0.000 1.050 459 S CB -0.057 62.912 63.200 -0.385 0.000 0.937 459 S HN 0.597 nan 8.310 nan 0.000 0.490 460 R N 3.060 123.465 120.500 -0.159 0.000 2.480 460 R HA 0.610 4.938 4.340 -0.021 0.000 0.306 460 R C -0.650 175.651 176.300 0.002 0.000 0.958 460 R CA 0.130 56.228 56.100 -0.003 0.000 0.861 460 R CB 1.387 31.764 30.300 0.129 0.000 1.171 460 R HN 1.014 nan 8.270 nan 0.000 0.445 461 A N 3.012 125.824 122.820 -0.013 0.000 2.433 461 A HA -0.194 4.113 4.320 -0.021 0.000 0.685 461 A C -0.793 176.769 177.584 -0.036 0.000 0.139 461 A CA 0.898 52.920 52.037 -0.024 0.000 0.035 461 A CB -0.478 18.515 19.000 -0.013 0.000 3.969 461 A HN 0.812 nan 8.150 nan 0.000 0.547 462 Q N 0.823 120.565 119.800 -0.096 0.000 2.534 462 Q HA 0.737 5.064 4.340 -0.021 0.000 0.290 462 Q C -0.168 175.521 176.000 -0.518 0.000 0.991 462 Q CA -0.488 55.188 55.803 -0.211 0.000 0.783 462 Q CB 1.194 29.841 28.738 -0.152 0.000 1.470 462 Q HN 1.896 nan 8.270 nan 0.000 0.406 463 S N 0.330 115.293 115.700 -1.228 0.000 2.558 463 S HA 0.027 4.484 4.470 -0.021 0.000 0.293 463 S C -0.177 174.206 174.600 -0.362 0.000 1.292 463 S CA -0.289 57.290 58.200 -1.034 0.000 1.063 463 S CB 0.048 62.525 63.200 -1.205 0.000 0.831 463 S HN 0.541 nan 8.310 nan 0.000 0.499 464 E N 2.598 122.701 120.200 -0.162 0.000 2.417 464 E HA 0.135 4.472 4.350 -0.021 0.000 0.261 464 E C -0.145 176.650 176.600 0.325 0.000 1.000 464 E CA -0.036 56.433 56.400 0.115 0.000 0.919 464 E CB 0.014 29.675 29.700 -0.066 0.000 0.955 464 E HN 0.758 nan 8.360 nan 0.000 0.455 465 H N 0.034 119.092 119.070 -0.020 0.000 3.359 465 H HA -0.251 4.293 4.556 -0.020 0.000 0.264 465 H C -0.876 174.476 175.328 0.040 0.000 0.723 465 H CA 0.378 56.472 56.048 0.077 0.000 0.951 465 H CB -0.916 28.895 29.762 0.082 0.000 1.098 465 H HN 0.380 nan 8.280 nan 0.000 0.569 466 F N 0.880 120.934 119.950 0.174 0.000 2.450 466 F HA 0.647 5.164 4.527 -0.017 0.000 0.332 466 F C 0.857 176.741 175.800 0.141 0.000 1.093 466 F CA -0.551 57.538 58.000 0.148 0.000 1.003 466 F CB 0.996 40.137 39.000 0.236 0.000 1.151 466 F HN 0.447 nan 8.300 nan 0.000 0.474 467 I N 0.671 121.339 120.570 0.164 0.000 3.074 467 I HA 0.335 4.493 4.170 -0.021 0.000 0.310 467 I C -0.372 175.808 176.117 0.104 0.000 1.153 467 I CA -0.986 60.391 61.300 0.127 0.000 0.993 467 I CB 1.909 39.962 38.000 0.088 0.000 1.237 467 I HN 0.385 nan 8.210 nan 0.000 0.443 468 N N 3.401 122.145 118.700 0.073 0.000 3.331 468 N HA 0.427 5.154 4.740 -0.021 0.000 0.303 468 N C -1.682 173.853 175.510 0.042 0.000 1.326 468 N CA -0.031 53.052 53.050 0.055 0.000 1.207 468 N CB 0.000 38.507 38.487 0.033 0.000 1.477 468 N HN 0.455 nan 8.380 nan 0.000 0.541 469 L N -2.010 119.245 121.223 0.054 0.000 2.672 469 L HA 0.461 4.788 4.340 -0.021 0.000 0.256 469 L C -0.087 176.822 176.870 0.065 0.000 0.946 469 L CA -1.074 53.790 54.840 0.041 0.000 0.889 469 L CB 1.011 43.070 42.059 -0.001 0.000 1.441 469 L HN -0.133 nan 8.230 nan 0.000 0.418 470 R N 1.630 122.174 120.500 0.073 0.000 2.474 470 R HA -0.031 4.296 4.340 -0.021 0.000 0.290 470 R C -0.006 176.354 176.300 0.100 0.000 0.918 470 R CA 1.302 57.470 56.100 0.113 0.000 1.130 470 R CB -0.025 30.340 30.300 0.110 0.000 0.881 470 R HN 0.922 nan 8.270 nan 0.000 0.416 471 E N 1.485 121.765 120.200 0.133 0.000 6.122 471 E HA -0.246 4.091 4.350 -0.021 0.000 0.406 471 E C -1.685 174.959 176.600 0.074 0.000 0.703 471 E CA 0.548 57.008 56.400 0.099 0.000 1.006 471 E CB 0.219 29.966 29.700 0.079 0.000 0.811 471 E HN 0.289 nan 8.360 nan 0.000 0.341 472 V N 4.264 124.231 119.914 0.089 0.000 2.540 472 V HA 0.631 4.739 4.120 -0.021 0.000 0.302 472 V C -0.327 175.864 176.094 0.162 0.000 1.035 472 V CA 0.386 62.755 62.300 0.115 0.000 0.873 472 V CB 2.106 33.994 31.823 0.109 0.000 0.992 472 V HN 0.685 nan 8.190 nan 0.000 0.428 473 S N 3.974 119.752 115.700 0.130 0.000 2.546 473 S HA 0.793 5.250 4.470 -0.021 0.000 0.274 473 S C -1.042 173.606 174.600 0.080 0.000 1.121 473 S CA -0.899 57.346 58.200 0.074 0.000 0.887 473 S CB 2.306 65.466 63.200 -0.066 0.000 1.094 473 S HN 0.692 nan 8.310 nan 0.000 0.474 474 N N 0.289 119.057 118.700 0.112 0.000 2.416 474 N HA 0.412 5.140 4.740 -0.021 0.000 0.276 474 N C -1.311 174.153 175.510 -0.076 0.000 1.261 474 N CA -0.790 52.262 53.050 0.004 0.000 0.790 474 N CB 2.161 40.668 38.487 0.034 0.000 1.554 474 N HN 0.775 nan 8.380 nan 0.000 0.481 475 R N 1.999 122.446 120.500 -0.088 0.000 2.441 475 R HA 0.593 4.920 4.340 -0.021 0.000 0.284 475 R C -0.648 175.571 176.300 -0.134 0.000 1.070 475 R CA -0.092 55.962 56.100 -0.076 0.000 1.047 475 R CB 0.296 30.619 30.300 0.037 0.000 1.016 475 R HN 0.627 nan 8.270 nan 0.000 0.477 476 I N 3.241 123.657 120.570 -0.256 0.000 2.656 476 I HA 0.362 4.520 4.170 -0.021 0.000 0.292 476 I C -0.836 175.147 176.117 -0.223 0.000 1.144 476 I CA -0.836 60.274 61.300 -0.316 0.000 1.038 476 I CB 2.280 39.875 38.000 -0.675 0.000 1.244 476 I HN 0.598 nan 8.210 nan 0.000 0.420 477 R N 7.267 127.719 120.500 -0.080 0.000 2.532 477 R HA 0.840 5.167 4.340 -0.021 0.000 0.297 477 R C -2.261 174.060 176.300 0.035 0.000 0.984 477 R CA -0.490 55.627 56.100 0.029 0.000 0.884 477 R CB 1.601 31.927 30.300 0.044 0.000 1.182 477 R HN 0.640 nan 8.270 nan 0.000 0.442 478 L N 5.097 126.372 121.223 0.086 0.000 2.505 478 L HA 0.522 4.849 4.340 -0.021 0.000 0.259 478 L C -2.388 174.564 176.870 0.138 0.000 0.952 478 L CA -2.227 52.654 54.840 0.067 0.000 0.840 478 L CB 3.096 45.087 42.059 -0.113 0.000 1.358 478 L HN 0.611 nan 8.230 nan 0.000 0.409 479 P HA 0.134 nan 4.420 nan 0.000 0.270 479 P C -2.643 174.835 177.300 0.298 0.000 1.223 479 P CA -1.379 61.855 63.100 0.222 0.000 0.785 479 P CB -0.473 31.345 31.700 0.197 0.000 0.923 480 P HA 0.116 nan 4.420 nan 0.000 0.253 480 P C 0.281 177.723 177.300 0.237 0.000 1.170 480 P CA 1.149 64.376 63.100 0.212 0.000 0.806 480 P CB -0.522 31.255 31.700 0.128 0.000 0.775 481 G N 2.146 111.149 108.800 0.338 0.000 2.600 481 G HA2 0.309 4.257 3.960 -0.021 0.000 0.293 481 G HA3 0.309 4.257 3.960 -0.021 0.000 0.293 481 G C -1.659 173.206 174.900 -0.058 0.000 1.408 481 G CA -0.551 44.554 45.100 0.009 0.000 0.782 481 G HN 0.314 nan 8.290 nan 0.000 0.482 482 E N 0.050 120.106 120.200 -0.240 0.000 2.089 482 E HA 0.481 4.818 4.350 -0.021 0.000 0.284 482 E C -1.103 175.393 176.600 -0.174 0.000 1.023 482 E CA -0.300 56.040 56.400 -0.099 0.000 0.819 482 E CB 0.556 30.212 29.700 -0.073 0.000 1.076 482 E HN 0.360 nan 8.360 nan 0.000 0.396 483 Y N 2.616 122.979 120.300 0.104 0.000 2.528 483 Y HA 0.389 4.925 4.550 -0.022 0.000 0.335 483 Y C 0.271 176.275 175.900 0.174 0.000 1.093 483 Y CA -1.036 57.169 58.100 0.176 0.000 1.134 483 Y CB 1.209 39.810 38.460 0.236 0.000 1.253 483 Y HN 0.404 nan 8.280 nan 0.000 0.478 484 I N 2.610 123.408 120.570 0.380 0.000 2.493 484 I HA 0.636 4.793 4.170 -0.021 0.000 0.298 484 I C -1.587 174.803 176.117 0.455 0.000 0.998 484 I CA -0.868 60.610 61.300 0.297 0.000 1.137 484 I CB 1.612 39.698 38.000 0.142 0.000 1.310 484 I HN 0.474 nan 8.210 nan 0.000 0.445 485 V N 8.024 128.212 119.914 0.456 0.000 2.531 485 V HA 0.552 4.659 4.120 -0.021 0.000 0.301 485 V C -1.362 175.051 176.094 0.531 0.000 1.034 485 V CA -0.244 62.372 62.300 0.527 0.000 0.865 485 V CB 2.030 34.160 31.823 0.511 0.000 0.995 485 V HN 0.510 nan 8.190 nan 0.000 0.424 486 V N 9.461 129.697 119.914 0.537 0.000 2.357 486 V HA 0.495 4.602 4.120 -0.021 0.000 0.281 486 V C -2.343 174.042 176.094 0.485 0.000 1.015 486 V CA -1.177 61.388 62.300 0.442 0.000 0.827 486 V CB 1.897 33.921 31.823 0.335 0.000 1.018 486 V HN 0.860 nan 8.190 nan 0.000 0.432 487 P HA 0.610 nan 4.420 nan 0.000 0.284 487 P C -0.551 176.998 177.300 0.414 0.000 1.258 487 P CA -0.017 63.300 63.100 0.362 0.000 0.824 487 P CB 2.399 34.167 31.700 0.114 0.000 1.038 488 S N 0.464 116.344 115.700 0.300 0.000 2.654 488 S HA 0.413 4.870 4.470 -0.021 0.000 0.267 488 S C -0.404 173.886 174.600 -0.517 0.000 1.151 488 S CA -0.526 57.530 58.200 -0.240 0.000 0.873 488 S CB 0.322 63.493 63.200 -0.048 0.000 1.181 488 S HN 0.692 nan 8.310 nan 0.000 0.489 489 T N -1.118 112.960 114.554 -0.794 0.000 2.862 489 T HA 0.614 4.952 4.350 -0.021 0.000 0.276 489 T C 0.771 175.518 174.700 0.079 0.000 0.974 489 T CA -0.364 61.578 62.100 -0.265 0.000 0.966 489 T CB 0.546 69.218 68.868 -0.327 0.000 1.072 489 T HN 0.681 nan 8.240 nan 0.000 0.538 490 F N 1.338 121.317 119.950 0.048 0.000 2.053 490 F HA 0.181 4.697 4.527 -0.020 0.000 0.292 490 F C 1.318 176.989 175.800 -0.215 0.000 1.125 490 F CA 0.865 58.764 58.000 -0.168 0.000 1.193 490 F CB -0.178 38.765 39.000 -0.095 0.000 0.996 490 F HN 0.692 nan 8.300 nan 0.000 0.470 491 E N 1.870 122.182 120.200 0.187 0.000 2.366 491 E HA 0.184 4.521 4.350 -0.021 0.000 0.266 491 E C -2.343 174.026 176.600 -0.384 0.000 1.051 491 E CA -2.066 54.173 56.400 -0.268 0.000 0.884 491 E CB 0.057 29.686 29.700 -0.119 0.000 1.006 491 E HN 0.120 nan 8.360 nan 0.000 0.417 492 P HA 0.148 nan 4.420 nan 0.000 0.281 492 P C -1.057 176.138 177.300 -0.175 0.000 1.281 492 P CA -0.709 62.189 63.100 -0.337 0.000 0.811 492 P CB 0.332 31.785 31.700 -0.411 0.000 1.154 493 N N -2.230 116.433 118.700 -0.061 0.000 2.725 493 N HA -0.153 4.575 4.740 -0.021 0.000 0.251 493 N C -0.797 174.733 175.510 0.033 0.000 1.031 493 N CA 0.589 53.670 53.050 0.051 0.000 0.720 493 N CB -1.099 37.431 38.487 0.071 0.000 0.930 493 N HN 0.328 nan 8.380 nan 0.000 0.543 494 K N 1.436 121.845 120.400 0.014 0.000 2.316 494 K HA 0.274 4.582 4.320 -0.021 0.000 0.267 494 K C 0.084 176.774 176.600 0.150 0.000 1.025 494 K CA -0.213 56.106 56.287 0.054 0.000 0.896 494 K CB 1.295 33.803 32.500 0.013 0.000 1.124 494 K HN 0.252 nan 8.250 nan 0.000 0.451 495 E N 1.008 121.306 120.200 0.164 0.000 2.283 495 E HA 0.639 4.976 4.350 -0.021 0.000 0.271 495 E C 0.083 176.832 176.600 0.249 0.000 1.031 495 E CA -0.904 55.627 56.400 0.218 0.000 0.868 495 E CB 1.769 31.547 29.700 0.130 0.000 1.094 495 E HN 0.703 nan 8.360 nan 0.000 0.401 496 G N 1.547 110.510 108.800 0.273 0.000 2.579 496 G HA2 0.392 4.339 3.960 -0.021 0.000 0.292 496 G HA3 0.392 4.339 3.960 -0.021 0.000 0.292 496 G C -1.869 173.067 174.900 0.060 0.000 1.484 496 G CA -0.832 44.423 45.100 0.259 0.000 0.813 496 G HN 0.441 nan 8.290 nan 0.000 0.515 497 D N -0.564 119.814 120.400 -0.037 0.000 2.457 497 D HA 0.726 5.353 4.640 -0.021 0.000 0.240 497 D C -0.493 175.714 176.300 -0.156 0.000 1.041 497 D CA -0.444 53.428 54.000 -0.213 0.000 0.861 497 D CB 2.151 42.804 40.800 -0.244 0.000 1.394 497 D HN 0.537 nan 8.370 nan 0.000 0.473 498 F N -0.293 119.460 119.950 -0.327 0.000 2.613 498 F HA 0.688 5.202 4.527 -0.020 0.000 0.314 498 F C -1.948 173.783 175.800 -0.116 0.000 1.075 498 F CA -1.501 56.366 58.000 -0.222 0.000 0.945 498 F CB 1.001 39.776 39.000 -0.376 0.000 1.310 498 F HN 0.193 nan 8.300 nan 0.000 0.467 499 L N 3.978 125.251 121.223 0.083 0.000 2.298 499 L HA 0.618 4.945 4.340 -0.021 0.000 0.284 499 L C -1.276 175.711 176.870 0.195 0.000 1.013 499 L CA -0.945 53.964 54.840 0.114 0.000 0.824 499 L CB 0.881 43.040 42.059 0.166 0.000 1.221 499 L HN 0.833 nan 8.230 nan 0.000 0.418 500 L N 5.669 126.986 121.223 0.156 0.000 2.334 500 L HA 0.697 5.024 4.340 -0.021 0.000 0.275 500 L C -0.634 176.296 176.870 0.100 0.000 1.036 500 L CA -0.092 54.746 54.840 -0.003 0.000 0.807 500 L CB 1.393 43.313 42.059 -0.232 0.000 1.231 500 L HN 0.667 nan 8.230 nan 0.000 0.438 501 R N 3.189 123.682 120.500 -0.012 0.000 2.686 501 R HA 0.640 4.967 4.340 -0.021 0.000 0.283 501 R C -1.694 174.723 176.300 0.195 0.000 0.978 501 R CA -0.348 55.876 56.100 0.207 0.000 0.897 501 R CB 1.761 32.212 30.300 0.253 0.000 1.192 501 R HN 0.415 nan 8.270 nan 0.000 0.457 502 F N 2.480 122.566 119.950 0.226 0.000 2.449 502 F HA 0.516 5.030 4.527 -0.022 0.000 0.342 502 F C -0.733 175.220 175.800 0.255 0.000 1.127 502 F CA -0.828 57.326 58.000 0.257 0.000 0.975 502 F CB 1.040 40.143 39.000 0.171 0.000 1.146 502 F HN 0.238 nan 8.300 nan 0.000 0.444 503 F N 1.391 121.422 119.950 0.135 0.000 2.518 503 F HA 0.660 5.174 4.527 -0.022 0.000 0.323 503 F C -0.008 175.861 175.800 0.115 0.000 1.129 503 F CA -1.237 56.733 58.000 -0.050 0.000 0.920 503 F CB 2.095 40.735 39.000 -0.601 0.000 1.160 503 F HN 0.409 nan 8.300 nan 0.000 0.440 504 S N 0.708 116.674 115.700 0.444 0.000 2.634 504 S HA 0.385 4.842 4.470 -0.021 0.000 0.296 504 S C 0.558 175.581 174.600 0.705 0.000 1.104 504 S CA -0.880 57.659 58.200 0.565 0.000 0.920 504 S CB 2.184 65.573 63.200 0.315 0.000 1.111 504 S HN 0.745 nan 8.310 nan 0.000 0.493 505 E N 0.075 120.573 120.200 0.496 0.000 2.358 505 E HA 0.055 4.393 4.350 -0.021 0.000 0.195 505 E C -0.120 176.556 176.600 0.127 0.000 1.010 505 E CA 0.771 57.287 56.400 0.192 0.000 0.856 505 E CB 0.184 29.922 29.700 0.063 0.000 0.795 505 E HN 0.412 nan 8.360 nan 0.000 0.504 506 K N 0.410 120.899 120.400 0.149 0.000 2.443 506 K HA 0.223 4.530 4.320 -0.021 0.000 0.251 506 K C -1.306 175.345 176.600 0.084 0.000 0.972 506 K CA -0.889 55.453 56.287 0.093 0.000 0.833 506 K CB 1.269 33.817 32.500 0.079 0.000 1.317 506 K HN -0.198 nan 8.250 nan 0.000 0.441 507 K N 1.078 121.509 120.400 0.052 0.000 2.448 507 K HA 0.399 4.706 4.320 -0.021 0.000 0.278 507 K C -0.598 176.010 176.600 0.014 0.000 1.009 507 K CA -0.231 56.076 56.287 0.033 0.000 0.995 507 K CB 0.643 33.154 32.500 0.018 0.000 0.917 507 K HN 0.584 nan 8.250 nan 0.000 0.481 508 A N 1.944 124.756 122.820 -0.014 0.000 2.353 508 A HA 0.566 4.873 4.320 -0.021 0.000 0.299 508 A C 0.160 177.691 177.584 -0.088 0.000 1.089 508 A CA -0.563 51.435 52.037 -0.064 0.000 0.736 508 A CB 1.379 20.305 19.000 -0.123 0.000 1.195 508 A HN 0.653 nan 8.150 nan 0.000 0.447 509 G N 1.670 110.424 108.800 -0.076 0.000 2.406 509 G HA2 0.508 4.455 3.960 -0.021 0.000 0.251 509 G HA3 0.508 4.455 3.960 -0.021 0.000 0.251 509 G C 0.133 174.949 174.900 -0.140 0.000 1.271 509 G CA 0.670 45.720 45.100 -0.083 0.000 0.859 509 G HN 1.347 nan 8.290 nan 0.000 0.540 510 T N -0.784 113.692 114.554 -0.130 0.000 2.916 510 T HA 0.737 5.074 4.350 -0.021 0.000 0.305 510 T C -0.911 173.788 174.700 -0.001 0.000 1.119 510 T CA -0.906 61.083 62.100 -0.185 0.000 1.008 510 T CB 2.638 71.237 68.868 -0.448 0.000 1.129 510 T HN 0.533 nan 8.240 nan 0.000 0.480 511 Q N -0.075 119.640 119.800 -0.142 0.000 2.782 511 Q HA 0.450 4.777 4.340 -0.021 0.000 0.308 511 Q C -1.588 174.237 176.000 -0.291 0.000 0.883 511 Q CA -0.691 55.046 55.803 -0.111 0.000 0.755 511 Q CB 1.930 30.641 28.738 -0.045 0.000 1.454 511 Q HN 0.814 nan 8.270 nan 0.000 0.452 512 E N 0.883 120.985 120.200 -0.163 0.000 2.283 512 E HA 0.379 4.717 4.350 -0.021 0.000 0.271 512 E C -0.752 175.729 176.600 -0.199 0.000 1.031 512 E CA -0.445 55.835 56.400 -0.200 0.000 0.868 512 E CB 1.001 30.647 29.700 -0.091 0.000 1.094 512 E HN 0.457 nan 8.360 nan 0.000 0.401 513 L N 4.023 125.049 121.223 -0.329 0.000 2.356 513 L HA 0.305 4.632 4.340 -0.021 0.000 0.264 513 L C -0.759 175.998 176.870 -0.188 0.000 1.029 513 L CA -0.164 54.535 54.840 -0.234 0.000 0.897 513 L CB 0.590 42.494 42.059 -0.258 0.000 1.256 513 L HN 0.403 nan 8.230 nan 0.000 0.444 514 D N 1.207 121.565 120.400 -0.070 0.000 2.677 514 D HA 0.332 4.959 4.640 -0.021 0.000 0.298 514 D C -0.828 175.516 176.300 0.072 0.000 1.250 514 D CA 0.110 54.142 54.000 0.052 0.000 0.888 514 D CB 2.060 42.887 40.800 0.046 0.000 1.397 514 D HN 0.370 nan 8.370 nan 0.000 0.461 515 D N -0.878 119.588 120.400 0.111 0.000 2.304 515 D HA 0.570 5.197 4.640 -0.021 0.000 0.247 515 D C 0.304 176.649 176.300 0.075 0.000 1.089 515 D CA 0.140 54.201 54.000 0.102 0.000 0.910 515 D CB 0.282 41.162 40.800 0.133 0.000 1.199 515 D HN 0.558 nan 8.370 nan 0.000 0.426 516 Q N 0.458 120.298 119.800 0.067 0.000 2.314 516 Q HA 0.511 4.838 4.340 -0.021 0.000 0.258 516 Q C 0.609 176.656 176.000 0.078 0.000 0.954 516 Q CA -0.418 55.420 55.803 0.058 0.000 0.890 516 Q CB -0.129 28.643 28.738 0.057 0.000 1.210 516 Q HN 0.695 nan 8.270 nan 0.000 0.410 517 I N 2.356 122.962 120.570 0.060 0.000 2.948 517 I HA 0.193 4.350 4.170 -0.021 0.000 0.284 517 I C 1.059 177.304 176.117 0.213 0.000 1.181 517 I CA 0.665 62.022 61.300 0.096 0.000 1.372 517 I CB -0.663 37.328 38.000 -0.015 0.000 1.443 517 I HN 0.874 nan 8.210 nan 0.000 0.554 518 Q N 5.366 125.313 119.800 0.245 0.000 2.306 518 Q HA 0.866 5.193 4.340 -0.021 0.000 0.265 518 Q C -0.673 175.477 176.000 0.250 0.000 1.022 518 Q CA -0.547 55.389 55.803 0.220 0.000 0.853 518 Q CB 2.391 31.212 28.738 0.139 0.000 1.327 518 Q HN 0.840 nan 8.270 nan 0.000 0.449 519 A N 2.256 125.097 122.820 0.035 0.000 2.509 519 A HA 0.606 4.914 4.320 -0.021 0.000 0.282 519 A C -1.353 176.097 177.584 -0.224 0.000 1.054 519 A CA -0.790 51.101 52.037 -0.243 0.000 0.820 519 A CB 0.889 19.202 19.000 -1.145 0.000 1.333 519 A HN 0.720 nan 8.150 nan 0.000 0.409 520 N N 1.102 119.635 118.700 -0.279 0.000 2.518 520 N HA 0.543 5.271 4.740 -0.021 0.000 0.266 520 N C 0.138 175.551 175.510 -0.161 0.000 1.196 520 N CA 0.075 53.012 53.050 -0.188 0.000 0.947 520 N CB 0.431 38.821 38.487 -0.162 0.000 1.098 520 N HN 0.888 nan 8.380 nan 0.000 0.450 521 L N -1.171 120.001 121.223 -0.084 0.000 3.610 521 L HA -0.145 4.182 4.340 -0.021 0.000 0.425 521 L C -1.611 175.247 176.870 -0.022 0.000 1.254 521 L CA -0.630 54.181 54.840 -0.048 0.000 0.874 521 L CB -2.711 39.314 42.059 -0.057 0.000 1.932 521 L HN 0.549 nan 8.230 nan 0.000 0.790 542 K N 1.473 121.745 120.400 -0.214 0.000 2.562 542 K HA 0.861 5.168 4.320 -0.021 0.000 0.206 542 K C 1.211 177.700 176.600 -0.186 0.000 1.033 542 K CA 0.068 56.259 56.287 -0.160 0.000 1.029 542 K CB -0.443 31.991 32.500 -0.111 0.000 1.393 542 K HN 2.053 nan 8.250 nan 0.000 0.539 543 L N 0.361 121.460 121.223 -0.206 0.000 2.456 543 L HA 0.315 4.643 4.340 -0.021 0.000 0.225 543 L C 2.155 178.941 176.870 -0.141 0.000 1.142 543 L CA 2.214 56.925 54.840 -0.214 0.000 0.796 543 L CB -2.018 39.939 42.059 -0.170 0.000 0.920 543 L HN 2.056 nan 8.230 nan 0.000 0.446 544 A N -0.230 122.525 122.820 -0.108 0.000 2.352 544 A HA 0.102 4.410 4.320 -0.021 0.000 0.286 544 A C 1.283 178.830 177.584 -0.062 0.000 1.415 544 A CA 0.580 52.573 52.037 -0.074 0.000 0.784 544 A CB -2.181 16.779 19.000 -0.067 0.000 1.065 544 A HN 2.425 nan 8.150 nan 0.000 0.378 545 G N -0.923 107.841 108.800 -0.060 0.000 2.321 545 G HA2 0.400 4.348 3.960 -0.021 0.000 0.237 545 G HA3 0.400 4.348 3.960 -0.021 0.000 0.237 545 G C 0.679 175.560 174.900 -0.031 0.000 1.282 545 G CA 0.746 45.820 45.100 -0.043 0.000 0.886 545 G HN 1.296 nan 8.290 nan 0.000 0.528 546 D N 0.935 121.321 120.400 -0.023 0.000 2.346 546 D HA 0.213 4.840 4.640 -0.021 0.000 0.206 546 D C 0.713 177.004 176.300 -0.016 0.000 1.001 546 D CA 0.936 54.925 54.000 -0.018 0.000 0.871 546 D CB 0.350 41.141 40.800 -0.014 0.000 0.943 546 D HN 0.479 nan 8.370 nan 0.000 0.518 547 D N -4.143 116.247 120.400 -0.016 0.000 2.648 547 D HA 0.450 5.078 4.640 -0.021 0.000 0.244 547 D C 1.632 177.923 176.300 -0.015 0.000 1.244 547 D CA 0.420 54.411 54.000 -0.015 0.000 0.772 547 D CB 1.140 41.933 40.800 -0.011 0.000 1.379 547 D HN 0.500 nan 8.370 nan 0.000 0.428 548 M N 1.059 120.649 119.600 -0.015 0.000 7.320 548 M HA -0.387 4.080 4.480 -0.021 0.000 0.366 548 M C 1.810 178.100 176.300 -0.017 0.000 0.480 548 M CA 4.177 59.468 55.300 -0.015 0.000 1.311 548 M CB -2.440 30.154 32.600 -0.010 0.000 0.424 548 M HN 0.788 nan 8.290 nan 0.000 1.127 549 E N -0.588 119.606 120.200 -0.011 0.000 2.011 549 E HA 0.538 4.875 4.350 -0.021 0.000 0.191 549 E C 2.792 179.389 176.600 -0.006 0.000 0.980 549 E CA 2.729 59.124 56.400 -0.008 0.000 0.814 549 E CB -1.512 28.188 29.700 -0.000 0.000 0.775 549 E HN 2.877 nan 8.360 nan 0.000 0.454 550 I N -0.631 119.940 120.570 0.002 0.000 2.803 550 I HA 0.281 4.439 4.170 -0.021 0.000 0.126 550 I C 0.502 176.615 176.117 -0.006 0.000 0.890 550 I CA 1.581 62.882 61.300 0.001 0.000 2.783 550 I CB -1.947 36.052 38.000 -0.002 0.000 0.619 550 I HN 1.701 nan 8.210 nan 0.000 0.351 551 S N 4.548 120.251 115.700 0.005 0.000 2.612 551 S HA 0.895 5.353 4.470 -0.021 0.000 0.167 551 S C 0.451 175.068 174.600 0.028 0.000 0.961 551 S CA 0.317 58.522 58.200 0.009 0.000 1.085 551 S CB -0.208 62.997 63.200 0.008 0.000 1.477 551 S HN 2.849 nan 8.310 nan 0.000 0.413 552 V N 1.121 121.046 119.914 0.019 0.000 3.893 552 V HA 0.218 4.325 4.120 -0.021 0.000 0.280 552 V C 1.393 177.507 176.094 0.033 0.000 1.165 552 V CA 2.335 64.648 62.300 0.021 0.000 1.236 552 V CB -0.898 30.931 31.823 0.011 0.000 1.195 552 V HN 1.574 nan 8.190 nan 0.000 0.461 553 K N -2.167 118.250 120.400 0.029 0.000 2.779 553 K HA 0.589 4.896 4.320 -0.021 0.000 0.272 553 K C 1.006 177.629 176.600 0.037 0.000 0.983 553 K CA 0.775 57.084 56.287 0.038 0.000 1.543 553 K CB -0.424 32.092 32.500 0.027 0.000 2.262 553 K HN 1.626 nan 8.250 nan 0.000 0.837 554 E N -2.000 118.221 120.200 0.034 0.000 3.673 554 E HA -0.176 4.161 4.350 -0.021 0.000 0.309 554 E C 0.930 177.556 176.600 0.043 0.000 0.819 554 E CA 0.932 57.350 56.400 0.030 0.000 1.111 554 E CB -1.998 27.713 29.700 0.018 0.000 1.561 554 E HN 0.624 nan 8.360 nan 0.000 0.450 555 L N 0.948 122.209 121.223 0.065 0.000 2.376 555 L HA -0.025 4.302 4.340 -0.021 0.000 0.219 555 L C 2.340 179.274 176.870 0.106 0.000 1.133 555 L CA 2.485 57.389 54.840 0.107 0.000 0.816 555 L CB -0.319 41.825 42.059 0.142 0.000 0.933 555 L HN 0.279 nan 8.230 nan 0.000 0.449 556 Q N -0.506 119.340 119.800 0.076 0.000 2.297 556 Q HA -0.215 4.112 4.340 -0.021 0.000 0.208 556 Q C 1.709 177.744 176.000 0.059 0.000 0.981 556 Q CA 1.966 57.810 55.803 0.067 0.000 0.876 556 Q CB -0.201 28.567 28.738 0.050 0.000 0.921 556 Q HN 0.803 nan 8.270 nan 0.000 0.446 557 T N -0.449 114.134 114.554 0.048 0.000 2.542 557 T HA -0.185 4.152 4.350 -0.021 0.000 0.257 557 T C 1.911 176.637 174.700 0.043 0.000 1.111 557 T CA 1.247 63.368 62.100 0.036 0.000 1.203 557 T CB -0.734 68.144 68.868 0.017 0.000 0.866 557 T HN 0.273 nan 8.240 nan 0.000 0.399 558 I N 1.483 122.079 120.570 0.044 0.000 2.069 558 I HA -0.137 4.021 4.170 -0.021 0.000 0.237 558 I C 2.459 178.629 176.117 0.088 0.000 1.053 558 I CA 1.728 63.053 61.300 0.040 0.000 1.311 558 I CB -0.502 37.514 38.000 0.027 0.000 1.030 558 I HN 0.277 nan 8.210 nan 0.000 0.398 559 L N 0.834 122.150 121.223 0.155 0.000 2.814 559 L HA -0.129 4.198 4.340 -0.021 0.000 0.248 559 L C 0.732 177.679 176.870 0.128 0.000 1.169 559 L CA 0.333 55.276 54.840 0.171 0.000 0.872 559 L CB -1.093 41.087 42.059 0.201 0.000 1.029 559 L HN 0.366 nan 8.230 nan 0.000 0.452 571 T N 1.058 115.641 114.554 0.047 0.000 2.830 571 T HA 0.346 4.683 4.350 -0.021 0.000 0.322 571 T C -1.691 173.044 174.700 0.059 0.000 1.501 571 T CA -0.824 61.310 62.100 0.057 0.000 1.036 571 T CB 2.132 71.038 68.868 0.063 0.000 1.379 571 T HN 0.231 nan 8.240 nan 0.000 0.493 572 N N 0.073 118.814 118.700 0.068 0.000 2.530 572 N HA 0.602 5.330 4.740 -0.021 0.000 0.273 572 N C 0.184 175.742 175.510 0.080 0.000 1.173 572 N CA -0.178 52.914 53.050 0.069 0.000 0.967 572 N CB 0.848 39.377 38.487 0.071 0.000 1.109 572 N HN 0.898 nan 8.380 nan 0.000 0.453 573 G N -0.935 107.911 108.800 0.078 0.000 2.694 573 G HA2 0.639 4.586 3.960 -0.021 0.000 0.290 573 G HA3 0.639 4.586 3.960 -0.021 0.000 0.290 573 G C -0.183 174.769 174.900 0.088 0.000 1.386 573 G CA -0.329 44.830 45.100 0.099 0.000 0.872 573 G HN 0.596 nan 8.290 nan 0.000 0.475 574 F N -1.206 118.806 119.950 0.103 0.000 1.423 574 F HA 0.301 4.815 4.527 -0.021 0.000 0.068 574 F C 1.105 176.931 175.800 0.043 0.000 0.151 574 F CA 1.198 59.239 58.000 0.068 0.000 0.298 574 F CB -0.982 38.069 39.000 0.084 0.000 0.714 574 F HN 2.677 nan 8.300 nan 0.000 0.666 575 S N -3.501 112.217 115.700 0.030 0.000 2.714 575 S HA 0.686 5.144 4.470 -0.021 0.000 0.297 575 S C 0.791 175.402 174.600 0.019 0.000 0.993 575 S CA 0.407 58.623 58.200 0.027 0.000 0.844 575 S CB -0.309 62.907 63.200 0.026 0.000 1.043 575 S HN 2.674 nan 8.310 nan 0.000 0.457 576 L N 1.042 122.278 121.223 0.021 0.000 2.261 576 L HA 0.064 4.391 4.340 -0.021 0.000 0.216 576 L C 1.970 178.846 176.870 0.011 0.000 1.114 576 L CA 3.311 58.162 54.840 0.018 0.000 0.777 576 L CB -1.557 40.511 42.059 0.016 0.000 0.910 576 L HN 0.911 nan 8.230 nan 0.000 0.440 577 E N -0.504 119.701 120.200 0.008 0.000 2.122 577 E HA -0.048 4.289 4.350 -0.021 0.000 0.190 577 E C 2.492 179.088 176.600 -0.007 0.000 0.977 577 E CA 1.219 57.621 56.400 0.003 0.000 0.820 577 E CB -0.215 29.492 29.700 0.011 0.000 0.770 577 E HN 0.724 nan 8.360 nan 0.000 0.462 578 S N 0.482 116.172 115.700 -0.017 0.000 2.348 578 S HA -0.199 4.258 4.470 -0.021 0.000 0.221 578 S C 2.143 176.731 174.600 -0.019 0.000 1.033 578 S CA 1.048 59.222 58.200 -0.044 0.000 1.010 578 S CB -0.726 62.431 63.200 -0.072 0.000 0.891 578 S HN 0.362 nan 8.310 nan 0.000 0.442 579 C N 1.921 121.222 119.300 0.001 0.000 2.336 579 C HA -0.256 4.192 4.460 -0.021 0.000 0.272 579 C C 3.416 178.416 174.990 0.017 0.000 1.160 579 C CA 1.843 60.873 59.018 0.020 0.000 1.783 579 C CB -1.710 26.049 27.740 0.032 0.000 2.050 579 C HN 0.798 nan 8.230 nan 0.000 0.443 580 R N -0.448 120.058 120.500 0.010 0.000 2.075 580 R HA -0.111 4.216 4.340 -0.021 0.000 0.232 580 R C 2.228 178.531 176.300 0.004 0.000 1.126 580 R CA 2.118 58.222 56.100 0.007 0.000 0.963 580 R CB -1.614 28.686 30.300 0.001 0.000 0.858 580 R HN 0.613 nan 8.270 nan 0.000 0.435 581 S N 0.071 115.769 115.700 -0.004 0.000 2.399 581 S HA -0.118 4.339 4.470 -0.021 0.000 0.231 581 S C 2.133 176.737 174.600 0.006 0.000 1.022 581 S CA 1.787 59.986 58.200 -0.003 0.000 0.983 581 S CB -0.328 62.862 63.200 -0.017 0.000 0.803 581 S HN 0.650 nan 8.310 nan 0.000 0.480 582 M N 0.673 120.275 119.600 0.003 0.000 2.349 582 M HA 0.066 4.534 4.480 -0.021 0.000 0.266 582 M C 2.397 178.707 176.300 0.017 0.000 1.076 582 M CA 1.296 56.600 55.300 0.007 0.000 1.126 582 M CB -0.687 31.912 32.600 -0.001 0.000 1.392 582 M HN 0.370 nan 8.290 nan 0.000 0.440 583 V N 0.186 120.114 119.914 0.023 0.000 2.867 583 V HA -0.229 3.878 4.120 -0.021 0.000 0.260 583 V C 1.966 178.078 176.094 0.030 0.000 1.099 583 V CA 2.139 64.459 62.300 0.033 0.000 1.122 583 V CB -0.737 31.106 31.823 0.033 0.000 0.708 583 V HN 0.420 nan 8.190 nan 0.000 0.490 584 N N -0.671 118.044 118.700 0.025 0.000 2.420 584 N HA 0.044 4.771 4.740 -0.021 0.000 0.185 584 N C 1.898 177.430 175.510 0.036 0.000 1.033 584 N CA 0.932 53.998 53.050 0.026 0.000 0.879 584 N CB 0.449 38.948 38.487 0.021 0.000 1.071 584 N HN 0.582 nan 8.380 nan 0.000 0.437 585 L N 1.912 123.159 121.223 0.040 0.000 2.064 585 L HA -0.353 3.974 4.340 -0.021 0.000 0.216 585 L C 2.920 179.815 176.870 0.042 0.000 1.077 585 L CA 2.141 57.010 54.840 0.048 0.000 0.766 585 L CB -0.624 41.464 42.059 0.047 0.000 0.890 585 L HN 0.175 nan 8.230 nan 0.000 0.435 586 M N -1.260 118.362 119.600 0.036 0.000 5.579 586 M HA -0.307 4.160 4.480 -0.021 0.000 0.326 586 M C 0.836 177.159 176.300 0.039 0.000 0.956 586 M CA 2.753 58.077 55.300 0.039 0.000 1.026 586 M CB -1.296 31.330 32.600 0.043 0.000 1.184 586 M HN 0.484 nan 8.290 nan 0.000 0.847 587 D N -2.542 117.880 120.400 0.037 0.000 2.728 587 D HA 0.531 5.158 4.640 -0.021 0.000 0.249 587 D C -1.087 175.231 176.300 0.030 0.000 1.225 587 D CA 0.004 54.025 54.000 0.035 0.000 0.748 587 D CB 0.897 41.717 40.800 0.032 0.000 1.326 587 D HN 0.883 nan 8.370 nan 0.000 0.426 592 G N -0.130 108.676 108.800 0.010 0.000 2.542 592 G HA2 0.440 4.387 3.960 -0.021 0.000 0.223 592 G HA3 0.440 4.387 3.960 -0.021 0.000 0.223 592 G C -0.520 174.391 174.900 0.019 0.000 1.041 592 G CA 0.562 45.669 45.100 0.012 0.000 0.928 592 G HN 0.777 nan 8.290 nan 0.000 0.558 593 K N -1.900 118.514 120.400 0.023 0.000 2.527 593 K HA 1.101 5.408 4.320 -0.021 0.000 0.260 593 K C 0.554 177.175 176.600 0.035 0.000 0.937 593 K CA 0.134 56.437 56.287 0.027 0.000 0.826 593 K CB 1.105 33.614 32.500 0.016 0.000 1.359 593 K HN 1.620 nan 8.250 nan 0.000 0.434 594 L N -0.122 121.130 121.223 0.049 0.000 2.630 594 L HA 0.897 5.224 4.340 -0.021 0.000 0.180 594 L C 1.617 178.529 176.870 0.070 0.000 1.221 594 L CA 1.813 56.699 54.840 0.076 0.000 0.853 594 L CB -1.294 40.841 42.059 0.128 0.000 1.172 594 L HN 2.562 nan 8.230 nan 0.000 0.508 595 G N -3.585 105.252 108.800 0.063 0.000 2.541 595 G HA2 0.373 4.320 3.960 -0.021 0.000 0.686 595 G HA3 0.373 4.320 3.960 -0.021 0.000 0.686 595 G C 0.091 175.008 174.900 0.029 0.000 1.286 595 G CA -0.016 45.103 45.100 0.032 0.000 0.894 595 G HN 1.972 nan 8.290 nan 0.000 0.575 596 L N -0.974 120.229 121.223 -0.032 0.000 2.660 596 L HA 0.775 5.102 4.340 -0.021 0.000 0.238 596 L C 2.514 179.388 176.870 0.007 0.000 1.161 596 L CA 2.026 56.819 54.840 -0.078 0.000 0.937 596 L CB -1.043 40.925 42.059 -0.152 0.000 1.122 596 L HN 2.359 nan 8.230 nan 0.000 0.435 597 V N -1.516 118.435 119.914 0.061 0.000 3.485 597 V HA 0.237 4.344 4.120 -0.021 0.000 0.280 597 V C 1.629 177.781 176.094 0.097 0.000 1.495 597 V CA 0.893 63.232 62.300 0.065 0.000 1.018 597 V CB 0.541 32.387 31.823 0.039 0.000 0.818 597 V HN 0.558 nan 8.190 nan 0.000 0.436 598 E N -1.564 118.715 120.200 0.131 0.000 2.665 598 E HA 0.057 4.394 4.350 -0.021 0.000 0.225 598 E C 1.417 178.124 176.600 0.177 0.000 0.922 598 E CA -0.013 56.458 56.400 0.119 0.000 1.242 598 E CB -0.320 29.428 29.700 0.081 0.000 1.197 598 E HN 0.560 nan 8.360 nan 0.000 0.581 599 F N 2.544 122.512 119.950 0.030 0.000 2.722 599 F HA -0.070 4.445 4.527 -0.021 0.000 0.298 599 F C 1.843 177.687 175.800 0.074 0.000 1.175 599 F CA 1.193 59.219 58.000 0.044 0.000 1.462 599 F CB -0.345 38.665 39.000 0.017 0.000 1.111 599 F HN 0.172 nan 8.300 nan 0.000 0.592 600 N N 1.527 120.433 118.700 0.343 0.000 2.132 600 N HA -0.134 4.593 4.740 -0.021 0.000 0.187 600 N C 1.672 177.266 175.510 0.141 0.000 1.038 600 N CA 1.540 54.739 53.050 0.249 0.000 0.846 600 N CB -0.782 37.807 38.487 0.171 0.000 1.012 600 N HN 0.261 nan 8.380 nan 0.000 0.429 601 I N 0.320 120.937 120.570 0.080 0.000 2.399 601 I HA -0.149 4.008 4.170 -0.021 0.000 0.254 601 I C 2.307 178.407 176.117 -0.028 0.000 1.146 601 I CA 1.079 62.391 61.300 0.021 0.000 1.412 601 I CB -0.992 37.017 38.000 0.014 0.000 1.076 601 I HN 0.395 nan 8.210 nan 0.000 0.432 602 L N 0.092 121.295 121.223 -0.035 0.000 2.130 602 L HA -0.074 4.253 4.340 -0.021 0.000 0.200 602 L C 2.595 179.381 176.870 -0.139 0.000 1.075 602 L CA 1.091 55.856 54.840 -0.126 0.000 0.768 602 L CB -0.600 41.357 42.059 -0.170 0.000 0.933 602 L HN 0.325 nan 8.230 nan 0.000 0.451 603 W N 1.361 122.429 121.300 -0.387 0.000 2.290 603 W HA -0.379 4.269 4.660 -0.020 0.000 0.328 603 W C 1.939 178.331 176.519 -0.212 0.000 1.272 603 W CA 2.319 59.452 57.345 -0.353 0.000 1.262 603 W CB -0.430 28.937 29.460 -0.155 0.000 1.151 603 W HN 0.329 nan 8.180 nan 0.000 0.473 604 N N 0.008 118.541 118.700 -0.279 0.000 2.120 604 N HA -0.209 4.518 4.740 -0.021 0.000 0.188 604 N C 1.911 177.109 175.510 -0.520 0.000 1.024 604 N CA 1.138 53.859 53.050 -0.548 0.000 0.852 604 N CB -0.567 37.767 38.487 -0.255 0.000 1.003 604 N HN 0.169 nan 8.380 nan 0.000 0.424 605 R N 1.063 121.304 120.500 -0.432 0.000 2.196 605 R HA -0.239 4.088 4.340 -0.021 0.000 0.244 605 R C 2.192 178.007 176.300 -0.809 0.000 1.121 605 R CA 1.814 57.530 56.100 -0.640 0.000 0.930 605 R CB -0.592 29.416 30.300 -0.487 0.000 0.890 605 R HN 0.246 nan 8.270 nan 0.000 0.435 606 I N -0.456 119.811 120.570 -0.505 0.000 2.032 606 I HA -0.382 3.775 4.170 -0.021 0.000 0.231 606 I C 2.614 178.519 176.117 -0.353 0.000 1.035 606 I CA 1.686 62.806 61.300 -0.300 0.000 1.312 606 I CB -0.614 37.316 38.000 -0.116 0.000 1.041 606 I HN 0.292 nan 8.210 nan 0.000 0.390 607 R N 0.936 121.025 120.500 -0.686 0.000 2.198 607 R HA -0.266 4.061 4.340 -0.021 0.000 0.258 607 R C 2.221 178.378 176.300 -0.239 0.000 1.173 607 R CA 2.025 57.796 56.100 -0.549 0.000 0.991 607 R CB -0.344 29.436 30.300 -0.867 0.000 0.879 607 R HN 0.433 nan 8.270 nan 0.000 0.460 608 N N -0.466 118.091 118.700 -0.238 0.000 2.039 608 N HA -0.189 4.538 4.740 -0.021 0.000 0.193 608 N C 1.510 177.113 175.510 0.156 0.000 1.044 608 N CA 1.537 54.537 53.050 -0.084 0.000 0.847 608 N CB -0.332 38.030 38.487 -0.208 0.000 1.030 608 N HN 0.215 nan 8.380 nan 0.000 0.422 609 Y N 1.684 122.025 120.300 0.069 0.000 2.128 609 Y HA -0.125 4.412 4.550 -0.021 0.000 0.284 609 Y C 2.495 178.639 175.900 0.408 0.000 1.154 609 Y CA 0.243 58.491 58.100 0.246 0.000 1.149 609 Y CB -1.147 37.411 38.460 0.162 0.000 0.976 609 Y HN 0.100 nan 8.280 nan 0.000 0.505 610 L N -0.114 121.362 121.223 0.421 0.000 2.129 610 L HA -0.243 4.084 4.340 -0.021 0.000 0.212 610 L C 1.591 178.540 176.870 0.132 0.000 1.087 610 L CA 2.182 57.091 54.840 0.115 0.000 0.757 610 L CB -0.922 41.028 42.059 -0.182 0.000 0.896 610 L HN 0.264 nan 8.230 nan 0.000 0.434 611 T N -0.108 114.526 114.554 0.133 0.000 3.085 611 T HA 0.031 4.368 4.350 -0.021 0.000 0.263 611 T C 1.919 176.719 174.700 0.168 0.000 1.127 611 T CA 0.366 62.533 62.100 0.111 0.000 1.103 611 T CB 0.216 69.130 68.868 0.077 0.000 0.921 611 T HN 0.260 nan 8.240 nan 0.000 0.510 612 I N -0.120 120.615 120.570 0.275 0.000 2.272 612 I HA 0.023 4.181 4.170 -0.021 0.000 0.235 612 I C 2.071 178.385 176.117 0.329 0.000 1.071 612 I CA 0.924 62.424 61.300 0.334 0.000 1.374 612 I CB -0.745 37.498 38.000 0.405 0.000 1.121 612 I HN 0.137 nan 8.210 nan 0.000 0.420 613 F N 2.858 122.844 119.950 0.061 0.000 2.115 613 F HA -0.279 4.239 4.527 -0.014 0.000 0.300 613 F C 2.810 178.629 175.800 0.031 0.000 1.092 613 F CA 1.740 59.638 58.000 -0.171 0.000 1.245 613 F CB -0.268 38.721 39.000 -0.018 0.000 0.995 613 F HN -0.022 nan 8.300 nan 0.000 0.481 614 R N 0.850 121.494 120.500 0.240 0.000 2.096 614 R HA -0.192 4.135 4.340 -0.021 0.000 0.240 614 R C 2.095 178.398 176.300 0.005 0.000 1.139 614 R CA 1.782 57.934 56.100 0.087 0.000 0.952 614 R CB -1.106 29.235 30.300 0.068 0.000 0.854 614 R HN 0.384 nan 8.270 nan 0.000 0.436 615 K N -0.123 120.292 120.400 0.025 0.000 2.173 615 K HA -0.151 4.156 4.320 -0.021 0.000 0.207 615 K C 1.563 177.964 176.600 -0.331 0.000 1.046 615 K CA 1.446 57.649 56.287 -0.141 0.000 0.929 615 K CB -0.207 32.187 32.500 -0.176 0.000 0.720 615 K HN 0.184 nan 8.250 nan 0.000 0.453 616 F N -0.148 119.705 119.950 -0.162 0.000 2.664 616 F HA 0.113 4.630 4.527 -0.016 0.000 0.303 616 F C 0.750 176.392 175.800 -0.263 0.000 1.092 616 F CA -0.243 57.637 58.000 -0.199 0.000 1.305 616 F CB 0.316 39.170 39.000 -0.244 0.000 1.054 616 F HN -0.143 nan 8.300 nan 0.000 0.565 617 D N 0.001 120.305 120.400 -0.160 0.000 2.696 617 D HA 0.183 4.810 4.640 -0.021 0.000 0.269 617 D C 1.907 178.161 176.300 -0.077 0.000 1.319 617 D CA 0.216 54.111 54.000 -0.175 0.000 0.826 617 D CB 0.071 40.688 40.800 -0.304 0.000 1.086 617 D HN 0.011 nan 8.370 nan 0.000 0.481 618 L N -0.122 121.057 121.223 -0.072 0.000 2.184 618 L HA -0.282 4.045 4.340 -0.021 0.000 0.236 618 L C 0.848 177.702 176.870 -0.026 0.000 1.120 618 L CA 1.693 56.504 54.840 -0.048 0.000 0.844 618 L CB -0.562 41.467 42.059 -0.050 0.000 0.932 618 L HN 0.199 nan 8.230 nan 0.000 0.450 619 D N 0.747 121.133 120.400 -0.024 0.000 2.870 619 D HA 0.070 4.697 4.640 -0.021 0.000 0.241 619 D C 0.238 176.540 176.300 0.004 0.000 1.234 619 D CA -0.056 53.938 54.000 -0.009 0.000 0.844 619 D CB -0.363 40.433 40.800 -0.006 0.000 1.051 619 D HN 0.361 nan 8.370 nan 0.000 0.469 620 K N -0.327 120.077 120.400 0.007 0.000 4.788 620 K HA -0.226 4.081 4.320 -0.021 0.000 0.269 620 K C 0.697 177.324 176.600 0.045 0.000 0.678 620 K CA 0.582 56.886 56.287 0.029 0.000 0.716 620 K CB -1.070 31.448 32.500 0.030 0.000 2.155 620 K HN 0.080 nan 8.250 nan 0.000 0.370 621 S N 1.409 117.141 115.700 0.053 0.000 2.524 621 S HA 0.273 4.730 4.470 -0.021 0.000 0.222 621 S C 1.570 176.239 174.600 0.114 0.000 1.040 621 S CA 0.368 58.606 58.200 0.063 0.000 0.915 621 S CB 0.572 63.795 63.200 0.038 0.000 0.831 621 S HN 1.175 nan 8.310 nan 0.000 0.492 622 G N 0.957 109.866 108.800 0.182 0.000 2.420 622 G HA2 -0.271 3.677 3.960 -0.021 0.000 0.221 622 G HA3 -0.271 3.677 3.960 -0.021 0.000 0.221 622 G C 0.566 175.715 174.900 0.415 0.000 1.117 622 G CA 0.289 45.564 45.100 0.292 0.000 0.657 622 G HN 0.660 nan 8.290 nan 0.000 0.512 623 S N -0.639 115.182 115.700 0.203 0.000 2.414 623 S HA 0.835 5.292 4.470 -0.021 0.000 0.267 623 S C 0.190 174.764 174.600 -0.045 0.000 1.165 623 S CA 0.831 59.125 58.200 0.156 0.000 1.028 623 S CB 0.968 64.224 63.200 0.093 0.000 1.154 623 S HN 1.498 nan 8.310 nan 0.000 0.472 624 M N 1.242 120.785 119.600 -0.094 0.000 2.630 624 M HA -0.045 4.422 4.480 -0.021 0.000 0.116 624 M C -1.358 174.932 176.300 -0.017 0.000 0.825 624 M CA 0.153 55.343 55.300 -0.183 0.000 0.681 624 M CB -0.583 31.803 32.600 -0.358 0.000 2.570 624 M HN 0.432 nan 8.290 nan 0.000 0.366 625 S N 3.322 119.036 115.700 0.024 0.000 2.506 625 S HA 0.414 4.871 4.470 -0.021 0.000 0.291 625 S C 1.470 176.107 174.600 0.062 0.000 1.230 625 S CA 0.752 58.999 58.200 0.078 0.000 1.107 625 S CB 0.869 64.162 63.200 0.155 0.000 0.942 625 S HN 0.911 nan 8.310 nan 0.000 0.502 626 A N 5.658 128.488 122.820 0.018 0.000 1.920 626 A HA -0.278 4.029 4.320 -0.021 0.000 0.229 626 A C 1.483 179.039 177.584 -0.046 0.000 1.516 626 A CA 2.630 54.643 52.037 -0.040 0.000 0.714 626 A CB -1.724 17.178 19.000 -0.163 0.000 0.845 626 A HN 0.979 nan 8.150 nan 0.000 0.493 627 Y N -0.607 119.720 120.300 0.045 0.000 2.441 627 Y HA -0.199 4.340 4.550 -0.018 0.000 0.273 627 Y C 2.236 178.206 175.900 0.118 0.000 1.205 627 Y CA 1.735 59.859 58.100 0.041 0.000 1.410 627 Y CB -0.338 38.148 38.460 0.044 0.000 0.967 627 Y HN 0.668 nan 8.280 nan 0.000 0.587 628 E N -1.819 118.518 120.200 0.229 0.000 2.572 628 E HA 0.026 4.363 4.350 -0.021 0.000 0.220 628 E C 1.893 178.550 176.600 0.094 0.000 0.945 628 E CA -0.035 56.515 56.400 0.250 0.000 1.070 628 E CB -0.016 29.843 29.700 0.266 0.000 1.090 628 E HN 0.069 nan 8.360 nan 0.000 0.506 629 M N 1.186 120.823 119.600 0.062 0.000 2.146 629 M HA -0.251 4.217 4.480 -0.021 0.000 0.256 629 M C 2.175 178.545 176.300 0.117 0.000 1.075 629 M CA 1.818 57.157 55.300 0.065 0.000 1.082 629 M CB -0.833 31.851 32.600 0.139 0.000 1.355 629 M HN 0.223 nan 8.290 nan 0.000 0.402 630 R N -0.493 120.102 120.500 0.159 0.000 2.105 630 R HA -0.183 4.144 4.340 -0.021 0.000 0.239 630 R C 1.884 178.332 176.300 0.247 0.000 1.135 630 R CA 1.904 58.133 56.100 0.215 0.000 0.967 630 R CB -0.111 30.105 30.300 -0.141 0.000 0.861 630 R HN 0.375 nan 8.270 nan 0.000 0.442 631 M N -0.047 119.677 119.600 0.207 0.000 2.299 631 M HA 0.171 4.638 4.480 -0.021 0.000 0.264 631 M C 2.509 178.856 176.300 0.080 0.000 1.095 631 M CA 1.169 56.597 55.300 0.214 0.000 1.165 631 M CB -0.136 32.651 32.600 0.311 0.000 1.349 631 M HN 0.236 nan 8.290 nan 0.000 0.446 632 A N 1.097 123.727 122.820 -0.317 0.000 1.969 632 A HA -0.257 4.050 4.320 -0.021 0.000 0.223 632 A C 2.176 179.793 177.584 0.054 0.000 1.218 632 A CA 2.144 53.982 52.037 -0.331 0.000 0.667 632 A CB -1.330 17.442 19.000 -0.381 0.000 0.826 632 A HN 0.526 nan 8.150 nan 0.000 0.472 633 I N -1.027 119.614 120.570 0.119 0.000 2.493 633 I HA -0.207 3.951 4.170 -0.021 0.000 0.254 633 I C 2.536 178.744 176.117 0.151 0.000 1.160 633 I CA 1.689 63.084 61.300 0.159 0.000 1.445 633 I CB -0.205 37.899 38.000 0.175 0.000 1.086 633 I HN 0.682 nan 8.210 nan 0.000 0.433 634 E N 1.402 121.691 120.200 0.148 0.000 2.122 634 E HA -0.128 4.209 4.350 -0.021 0.000 0.190 634 E C 2.262 178.912 176.600 0.084 0.000 0.977 634 E CA 0.902 57.381 56.400 0.132 0.000 0.820 634 E CB 0.006 29.806 29.700 0.167 0.000 0.770 634 E HN 0.373 nan 8.360 nan 0.000 0.462 635 A N 1.553 124.439 122.820 0.111 0.000 1.917 635 A HA -0.189 4.118 4.320 -0.021 0.000 0.219 635 A C 2.421 180.049 177.584 0.072 0.000 1.182 635 A CA 2.092 54.202 52.037 0.122 0.000 0.633 635 A CB -0.872 18.251 19.000 0.205 0.000 0.819 635 A HN 0.448 nan 8.150 nan 0.000 0.448 636 A N -2.530 120.314 122.820 0.040 0.000 2.067 636 A HA 0.383 4.691 4.320 -0.021 0.000 0.217 636 A C 1.865 179.316 177.584 -0.222 0.000 1.156 636 A CA 1.593 53.600 52.037 -0.049 0.000 0.683 636 A CB -0.570 18.363 19.000 -0.112 0.000 0.808 636 A HN 1.922 nan 8.150 nan 0.000 0.455 637 G N -3.100 105.564 108.800 -0.227 0.000 2.164 637 G HA2 -0.074 3.874 3.960 -0.021 0.000 0.154 637 G HA3 -0.074 3.874 3.960 -0.021 0.000 0.154 637 G C -0.257 174.410 174.900 -0.388 0.000 1.014 637 G CA -0.216 44.664 45.100 -0.367 0.000 0.683 637 G HN 0.266 nan 8.290 nan 0.000 0.500 638 F N 0.779 120.710 119.950 -0.031 0.000 2.520 638 F HA 0.667 5.181 4.527 -0.022 0.000 0.322 638 F C 0.380 176.195 175.800 0.025 0.000 1.103 638 F CA -1.076 56.904 58.000 -0.033 0.000 0.926 638 F CB 2.219 41.206 39.000 -0.022 0.000 1.154 638 F HN -0.143 nan 8.300 nan 0.000 0.453 639 K N 4.717 125.275 120.400 0.263 0.000 2.389 639 K HA 0.580 4.887 4.320 -0.021 0.000 0.261 639 K C -1.329 175.358 176.600 0.146 0.000 1.014 639 K CA -0.265 56.136 56.287 0.191 0.000 0.920 639 K CB 0.758 33.350 32.500 0.154 0.000 1.149 639 K HN 0.613 nan 8.250 nan 0.000 0.444 640 L N 5.031 126.277 121.223 0.037 0.000 2.334 640 L HA 0.522 4.849 4.340 -0.021 0.000 0.273 640 L C -2.178 174.696 176.870 0.007 0.000 1.013 640 L CA -2.621 52.166 54.840 -0.088 0.000 0.816 640 L CB 1.673 43.534 42.059 -0.329 0.000 1.278 640 L HN 0.421 nan 8.230 nan 0.000 0.431 641 P HA -0.000 nan 4.420 nan 0.000 0.267 641 P C 0.530 177.945 177.300 0.193 0.000 1.201 641 P CA -0.247 62.909 63.100 0.093 0.000 0.775 641 P CB 0.514 32.228 31.700 0.022 0.000 0.854 642 C N 0.140 119.518 119.300 0.129 0.000 2.396 642 C HA -0.161 4.287 4.460 -0.021 0.000 0.277 642 C C 2.721 177.754 174.990 0.071 0.000 1.231 642 C CA 0.840 59.914 59.018 0.094 0.000 1.775 642 C CB -1.338 26.413 27.740 0.018 0.000 2.036 642 C HN 0.609 nan 8.230 nan 0.000 0.484 643 Q N 0.129 119.943 119.800 0.022 0.000 2.061 643 Q HA -0.156 4.172 4.340 -0.021 0.000 0.204 643 Q C 2.098 178.064 176.000 -0.058 0.000 0.984 643 Q CA 1.499 57.284 55.803 -0.030 0.000 0.846 643 Q CB -0.437 28.269 28.738 -0.053 0.000 0.902 643 Q HN 0.528 nan 8.270 nan 0.000 0.421 644 L N 0.306 121.491 121.223 -0.064 0.000 2.353 644 L HA -0.172 4.156 4.340 -0.021 0.000 0.220 644 L C 2.012 178.819 176.870 -0.105 0.000 1.133 644 L CA 1.507 56.273 54.840 -0.122 0.000 0.798 644 L CB -0.780 41.171 42.059 -0.180 0.000 0.922 644 L HN 0.337 nan 8.230 nan 0.000 0.445 645 H N -1.794 117.234 119.070 -0.069 0.000 2.562 645 H HA 0.112 4.656 4.556 -0.020 0.000 0.267 645 H C 1.594 176.882 175.328 -0.068 0.000 0.959 645 H CA 0.389 56.404 56.048 -0.055 0.000 1.204 645 H CB 0.490 30.213 29.762 -0.064 0.000 1.430 645 H HN 0.505 nan 8.280 nan 0.000 0.545 646 Q N 0.848 120.667 119.800 0.032 0.000 2.269 646 Q HA -0.040 4.288 4.340 -0.021 0.000 0.201 646 Q C 2.459 178.389 176.000 -0.117 0.000 0.946 646 Q CA 0.848 56.623 55.803 -0.047 0.000 0.877 646 Q CB 0.376 29.074 28.738 -0.066 0.000 0.963 646 Q HN 0.294 nan 8.270 nan 0.000 0.472 647 V N -0.999 118.827 119.914 -0.148 0.000 2.719 647 V HA -0.132 3.975 4.120 -0.021 0.000 0.252 647 V C 1.828 177.877 176.094 -0.076 0.000 1.065 647 V CA 0.973 63.154 62.300 -0.198 0.000 1.086 647 V CB -0.339 31.370 31.823 -0.191 0.000 0.700 647 V HN 0.232 nan 8.190 nan 0.000 0.467 648 I N 0.481 121.033 120.570 -0.029 0.000 2.179 648 I HA -0.151 4.007 4.170 -0.021 0.000 0.242 648 I C 2.392 178.567 176.117 0.098 0.000 1.088 648 I CA 1.936 63.279 61.300 0.071 0.000 1.357 648 I CB -0.308 37.783 38.000 0.151 0.000 1.051 648 I HN 0.262 nan 8.210 nan 0.000 0.409 649 V N 0.659 120.612 119.914 0.064 0.000 2.951 649 V HA -0.025 4.082 4.120 -0.021 0.000 0.255 649 V C 2.449 178.552 176.094 0.015 0.000 1.088 649 V CA 1.271 63.604 62.300 0.054 0.000 1.109 649 V CB -0.585 31.227 31.823 -0.019 0.000 0.724 649 V HN 0.417 nan 8.190 nan 0.000 0.471 650 A N 0.746 123.562 122.820 -0.007 0.000 1.970 650 A HA -0.110 4.197 4.320 -0.021 0.000 0.216 650 A C 2.303 179.920 177.584 0.054 0.000 1.170 650 A CA 1.608 53.669 52.037 0.039 0.000 0.645 650 A CB -0.280 18.753 19.000 0.055 0.000 0.816 650 A HN 0.451 nan 8.150 nan 0.000 0.447 651 R N -0.400 120.056 120.500 -0.073 0.000 2.052 651 R HA 0.115 4.442 4.340 -0.021 0.000 0.224 651 R C 1.550 177.652 176.300 -0.329 0.000 1.149 651 R CA 1.805 57.688 56.100 -0.362 0.000 0.962 651 R CB -0.972 28.869 30.300 -0.765 0.000 0.856 651 R HN 0.467 nan 8.270 nan 0.000 0.433 652 F N 0.859 120.821 119.950 0.020 0.000 2.367 652 F HA 0.323 4.836 4.527 -0.022 0.000 0.298 652 F C 1.330 177.150 175.800 0.033 0.000 1.094 652 F CA -0.144 57.865 58.000 0.016 0.000 1.409 652 F CB -0.288 38.720 39.000 0.013 0.000 1.064 652 F HN 0.089 nan 8.300 nan 0.000 0.528 653 A N 0.564 123.517 122.820 0.223 0.000 2.366 653 A HA 0.142 4.450 4.320 -0.021 0.000 0.249 653 A C -0.223 177.421 177.584 0.099 0.000 1.084 653 A CA -0.423 51.698 52.037 0.141 0.000 0.794 653 A CB 0.096 19.143 19.000 0.080 0.000 1.034 653 A HN 0.205 nan 8.150 nan 0.000 0.491 654 D N -0.980 119.472 120.400 0.086 0.000 2.440 654 D HA 0.132 4.760 4.640 -0.021 0.000 0.269 654 D C 0.644 176.970 176.300 0.045 0.000 1.249 654 D CA -0.241 53.799 54.000 0.067 0.000 1.055 654 D CB 0.503 41.348 40.800 0.075 0.000 1.104 654 D HN 0.474 nan 8.370 nan 0.000 0.561 655 D N -0.528 119.895 120.400 0.039 0.000 2.312 655 D HA -0.093 4.534 4.640 -0.021 0.000 0.211 655 D C 0.755 177.074 176.300 0.033 0.000 0.964 655 D CA 0.707 54.725 54.000 0.029 0.000 0.877 655 D CB 0.299 41.115 40.800 0.026 0.000 0.924 655 D HN 0.316 nan 8.370 nan 0.000 0.515 656 E N -0.255 119.970 120.200 0.041 0.000 2.479 656 E HA 0.159 4.496 4.350 -0.021 0.000 0.193 656 E C 1.302 177.931 176.600 0.049 0.000 1.049 656 E CA -0.004 56.425 56.400 0.048 0.000 0.870 656 E CB -0.282 29.449 29.700 0.053 0.000 0.944 656 E HN 0.246 nan 8.360 nan 0.000 0.492 657 L N -0.629 120.615 121.223 0.034 0.000 3.610 657 L HA -0.179 4.149 4.340 -0.021 0.000 0.425 657 L C 0.047 176.935 176.870 0.031 0.000 1.254 657 L CA 0.398 55.241 54.840 0.004 0.000 0.874 657 L CB -2.941 39.105 42.059 -0.021 0.000 1.932 657 L HN 0.063 nan 8.230 nan 0.000 0.790 658 I N -0.497 120.106 120.570 0.056 0.000 2.797 658 I HA 0.934 5.091 4.170 -0.021 0.000 0.307 658 I C 0.259 176.442 176.117 0.109 0.000 1.033 658 I CA -1.024 60.322 61.300 0.077 0.000 1.071 658 I CB 2.028 40.078 38.000 0.082 0.000 1.255 658 I HN 0.369 nan 8.210 nan 0.000 0.445 659 I N 3.070 123.726 120.570 0.144 0.000 2.656 659 I HA 0.331 4.488 4.170 -0.021 0.000 0.292 659 I C -1.505 174.815 176.117 0.337 0.000 1.144 659 I CA -0.733 60.692 61.300 0.209 0.000 1.038 659 I CB 2.136 40.270 38.000 0.223 0.000 1.244 659 I HN 0.577 nan 8.210 nan 0.000 0.420 660 D N 3.437 124.025 120.400 0.314 0.000 2.569 660 D HA 0.233 4.861 4.640 -0.021 0.000 0.266 660 D C 0.592 176.938 176.300 0.077 0.000 1.164 660 D CA -0.627 53.582 54.000 0.348 0.000 1.071 660 D CB 0.806 41.728 40.800 0.204 0.000 1.183 660 D HN 0.472 nan 8.370 nan 0.000 0.613 661 F N -0.202 119.460 119.950 -0.480 0.000 2.293 661 F HA -0.094 4.420 4.527 -0.023 0.000 0.300 661 F C 1.646 177.321 175.800 -0.208 0.000 1.086 661 F CA 1.514 59.005 58.000 -0.848 0.000 1.375 661 F CB 0.110 38.610 39.000 -0.833 0.000 1.045 661 F HN 0.390 nan 8.300 nan 0.000 0.516 662 D N 0.154 120.413 120.400 -0.235 0.000 2.077 662 D HA -0.207 4.420 4.640 -0.021 0.000 0.197 662 D C 1.752 177.887 176.300 -0.275 0.000 0.983 662 D CA 2.017 55.881 54.000 -0.226 0.000 0.841 662 D CB -0.667 40.098 40.800 -0.059 0.000 0.992 662 D HN 0.349 nan 8.370 nan 0.000 0.450 663 N N -1.334 117.276 118.700 -0.150 0.000 2.364 663 N HA -0.118 4.609 4.740 -0.021 0.000 0.183 663 N C 1.325 176.598 175.510 -0.395 0.000 1.022 663 N CA 0.120 53.044 53.050 -0.210 0.000 0.883 663 N CB -0.101 38.386 38.487 -0.001 0.000 0.965 663 N HN 0.105 nan 8.380 nan 0.000 0.438 664 F N 2.073 121.794 119.950 -0.382 0.000 1.982 664 F HA -0.254 4.263 4.527 -0.017 0.000 0.296 664 F C 2.383 177.845 175.800 -0.564 0.000 1.199 664 F CA 1.623 59.375 58.000 -0.415 0.000 1.174 664 F CB -1.081 37.746 39.000 -0.289 0.000 0.963 664 F HN -0.136 nan 8.300 nan 0.000 0.495 665 V N 0.247 119.583 119.914 -0.962 0.000 2.278 665 V HA -0.357 3.751 4.120 -0.021 0.000 0.251 665 V C 2.456 178.190 176.094 -0.600 0.000 1.062 665 V CA 2.499 64.302 62.300 -0.828 0.000 1.038 665 V CB -1.508 29.991 31.823 -0.540 0.000 0.646 665 V HN 0.531 nan 8.190 nan 0.000 0.447 666 R N 0.781 120.963 120.500 -0.529 0.000 2.154 666 R HA -0.271 4.056 4.340 -0.021 0.000 0.236 666 R C 2.513 178.490 176.300 -0.539 0.000 1.121 666 R CA 3.014 58.853 56.100 -0.434 0.000 0.915 666 R CB -1.558 28.520 30.300 -0.370 0.000 0.856 666 R HN 0.808 nan 8.270 nan 0.000 0.431 667 C N 0.274 118.967 119.300 -1.011 0.000 2.413 667 C HA -0.024 4.423 4.460 -0.021 0.000 0.277 667 C C 2.535 177.253 174.990 -0.453 0.000 1.265 667 C CA 0.956 59.469 59.018 -0.842 0.000 1.752 667 C CB -1.276 25.634 27.740 -1.383 0.000 1.998 667 C HN 0.661 nan 8.230 nan 0.000 0.489 668 L N 0.827 121.672 121.223 -0.629 0.000 2.261 668 L HA -0.096 4.232 4.340 -0.021 0.000 0.216 668 L C 2.642 179.387 176.870 -0.209 0.000 1.114 668 L CA 1.317 55.855 54.840 -0.504 0.000 0.777 668 L CB -0.346 41.118 42.059 -0.992 0.000 0.910 668 L HN 0.379 nan 8.230 nan 0.000 0.440 669 V N -0.992 118.808 119.914 -0.191 0.000 2.500 669 V HA -0.135 3.973 4.120 -0.021 0.000 0.243 669 V C 2.477 178.567 176.094 -0.008 0.000 1.039 669 V CA 1.132 63.411 62.300 -0.037 0.000 1.053 669 V CB -0.475 31.317 31.823 -0.052 0.000 0.695 669 V HN 0.389 nan 8.190 nan 0.000 0.463 670 R N 0.845 121.312 120.500 -0.055 0.000 2.096 670 R HA -0.220 4.107 4.340 -0.021 0.000 0.240 670 R C 2.226 178.535 176.300 0.014 0.000 1.139 670 R CA 2.535 58.629 56.100 -0.009 0.000 0.952 670 R CB -0.652 29.655 30.300 0.012 0.000 0.854 670 R HN 0.420 nan 8.270 nan 0.000 0.436 671 L N 0.439 121.641 121.223 -0.036 0.000 2.093 671 L HA -0.043 4.284 4.340 -0.021 0.000 0.208 671 L C 2.465 179.398 176.870 0.105 0.000 1.085 671 L CA 2.292 57.087 54.840 -0.076 0.000 0.755 671 L CB -1.420 40.381 42.059 -0.430 0.000 0.904 671 L HN 0.303 nan 8.230 nan 0.000 0.435 672 E N 0.395 120.690 120.200 0.158 0.000 2.049 672 E HA -0.248 4.089 4.350 -0.021 0.000 0.198 672 E C 2.361 179.110 176.600 0.249 0.000 1.007 672 E CA 2.251 58.833 56.400 0.303 0.000 0.809 672 E CB -0.472 29.379 29.700 0.252 0.000 0.749 672 E HN 0.744 nan 8.360 nan 0.000 0.450 673 I N -0.099 120.574 120.570 0.172 0.000 2.493 673 I HA -0.157 4.000 4.170 -0.021 0.000 0.254 673 I C 2.328 178.592 176.117 0.244 0.000 1.160 673 I CA 1.108 62.509 61.300 0.168 0.000 1.445 673 I CB -0.624 37.438 38.000 0.104 0.000 1.086 673 I HN 0.039 nan 8.210 nan 0.000 0.433 674 L N -1.170 120.213 121.223 0.267 0.000 2.168 674 L HA 0.151 4.478 4.340 -0.021 0.000 0.203 674 L C 2.500 179.697 176.870 0.546 0.000 1.078 674 L CA 1.511 56.587 54.840 0.393 0.000 0.780 674 L CB -1.521 40.639 42.059 0.168 0.000 0.939 674 L HN 0.479 nan 8.230 nan 0.000 0.451 675 F N 0.972 121.082 119.950 0.267 0.000 2.087 675 F HA -0.336 4.178 4.527 -0.022 0.000 0.299 675 F C 2.717 178.667 175.800 0.251 0.000 1.100 675 F CA 2.322 60.475 58.000 0.254 0.000 1.226 675 F CB -0.905 38.206 39.000 0.185 0.000 0.983 675 F HN 0.119 nan 8.300 nan 0.000 0.479 676 K N 0.732 121.367 120.400 0.391 0.000 2.032 676 K HA -0.149 4.158 4.320 -0.021 0.000 0.209 676 K C 1.714 178.448 176.600 0.224 0.000 1.048 676 K CA 1.986 58.428 56.287 0.260 0.000 0.927 676 K CB -1.538 31.075 32.500 0.189 0.000 0.712 676 K HN 0.318 nan 8.250 nan 0.000 0.441 677 I N -0.982 119.743 120.570 0.258 0.000 2.045 677 I HA -0.168 3.989 4.170 -0.021 0.000 0.233 677 I C 2.301 178.437 176.117 0.031 0.000 1.048 677 I CA 1.778 63.180 61.300 0.169 0.000 1.313 677 I CB -0.421 37.724 38.000 0.242 0.000 1.043 677 I HN 0.326 nan 8.210 nan 0.000 0.393 678 F N 1.632 121.453 119.950 -0.215 0.000 2.192 678 F HA -0.415 4.100 4.527 -0.020 0.000 0.300 678 F C 2.495 178.216 175.800 -0.132 0.000 1.051 678 F CA 2.560 60.340 58.000 -0.367 0.000 1.309 678 F CB -0.647 38.048 39.000 -0.508 0.000 1.056 678 F HN 0.079 nan 8.300 nan 0.000 0.505 679 K N -0.466 120.057 120.400 0.206 0.000 2.167 679 K HA 0.038 4.345 4.320 -0.021 0.000 0.203 679 K C 2.050 178.677 176.600 0.045 0.000 1.052 679 K CA 1.471 57.854 56.287 0.160 0.000 0.956 679 K CB -1.473 31.144 32.500 0.195 0.000 0.735 679 K HN 0.514 nan 8.250 nan 0.000 0.451 680 Q N 0.841 120.651 119.800 0.018 0.000 1.922 680 Q HA 0.186 4.513 4.340 -0.021 0.000 0.201 680 Q C 2.261 178.212 176.000 -0.082 0.000 0.979 680 Q CA 1.407 57.200 55.803 -0.018 0.000 0.841 680 Q CB -0.913 27.830 28.738 0.009 0.000 0.903 680 Q HN 0.572 nan 8.270 nan 0.000 0.431 681 L N 0.987 122.121 121.223 -0.149 0.000 2.772 681 L HA -0.046 4.281 4.340 -0.021 0.000 0.243 681 L C 0.086 176.783 176.870 -0.288 0.000 1.187 681 L CA 0.808 55.511 54.840 -0.229 0.000 0.844 681 L CB -0.401 41.461 42.059 -0.328 0.000 0.985 681 L HN 0.520 nan 8.230 nan 0.000 0.459 682 D N -2.140 118.119 120.400 -0.235 0.000 2.386 682 D HA 0.222 4.850 4.640 -0.021 0.000 0.247 682 D C -1.889 174.361 176.300 -0.084 0.000 1.336 682 D CA -1.422 52.462 54.000 -0.194 0.000 0.976 682 D CB 1.770 42.415 40.800 -0.259 0.000 1.257 682 D HN -0.271 nan 8.370 nan 0.000 0.570 683 P HA -0.058 nan 4.420 nan 0.000 0.210 683 P C -0.095 177.197 177.300 -0.013 0.000 1.192 683 P CA 0.697 63.781 63.100 -0.027 0.000 0.913 683 P CB 0.229 31.912 31.700 -0.028 0.000 0.774 684 E N 0.349 120.537 120.200 -0.020 0.000 2.346 684 E HA 0.015 4.353 4.350 -0.021 0.000 0.317 684 E C -0.107 176.493 176.600 -0.001 0.000 1.404 684 E CA -0.348 56.047 56.400 -0.009 0.000 1.534 684 E CB -1.526 28.166 29.700 -0.013 0.000 1.309 684 E HN 0.040 nan 8.360 nan 0.000 0.499 685 N N 1.481 120.188 118.700 0.012 0.000 2.449 685 N HA -0.176 4.551 4.740 -0.021 0.000 0.269 685 N C 0.490 176.021 175.510 0.035 0.000 1.207 685 N CA 0.761 53.830 53.050 0.031 0.000 1.089 685 N CB -0.131 38.385 38.487 0.048 0.000 1.292 685 N HN 0.177 nan 8.380 nan 0.000 0.533 686 T N -1.819 112.744 114.554 0.016 0.000 3.144 686 T HA 0.328 4.665 4.350 -0.021 0.000 0.249 686 T C 1.537 176.262 174.700 0.042 0.000 1.089 686 T CA 0.064 62.176 62.100 0.019 0.000 0.989 686 T CB 0.163 69.030 68.868 -0.002 0.000 0.992 686 T HN 0.481 nan 8.240 nan 0.000 0.540 687 G N 1.312 110.164 108.800 0.087 0.000 2.241 687 G HA2 -0.237 3.710 3.960 -0.021 0.000 0.244 687 G HA3 -0.237 3.710 3.960 -0.021 0.000 0.244 687 G C 0.337 175.383 174.900 0.244 0.000 0.998 687 G CA 0.404 45.598 45.100 0.158 0.000 0.621 687 G HN 1.212 nan 8.290 nan 0.000 0.519 688 T N -1.133 113.474 114.554 0.089 0.000 2.907 688 T HA 0.845 5.182 4.350 -0.021 0.000 0.290 688 T C -0.402 174.134 174.700 -0.273 0.000 1.066 688 T CA -0.124 61.995 62.100 0.030 0.000 1.012 688 T CB 2.569 71.451 68.868 0.022 0.000 1.184 688 T HN 1.686 nan 8.240 nan 0.000 0.522 689 I N -1.110 119.228 120.570 -0.387 0.000 3.074 689 I HA 0.726 4.883 4.170 -0.021 0.000 0.310 689 I C -0.921 175.033 176.117 -0.272 0.000 1.153 689 I CA -1.333 59.647 61.300 -0.533 0.000 0.993 689 I CB 2.250 39.606 38.000 -1.074 0.000 1.237 689 I HN 0.986 nan 8.210 nan 0.000 0.443 690 Q N 3.791 123.457 119.800 -0.225 0.000 2.316 690 Q HA 0.855 5.182 4.340 -0.021 0.000 0.264 690 Q C -2.029 173.949 176.000 -0.037 0.000 0.987 690 Q CA -0.622 55.116 55.803 -0.109 0.000 0.852 690 Q CB 1.895 30.572 28.738 -0.102 0.000 1.287 690 Q HN 0.821 nan 8.270 nan 0.000 0.448 691 L N 3.411 124.653 121.223 0.033 0.000 2.562 691 L HA 0.340 4.667 4.340 -0.021 0.000 0.266 691 L C -1.245 175.746 176.870 0.203 0.000 0.949 691 L CA -0.814 54.124 54.840 0.164 0.000 0.879 691 L CB 2.038 44.266 42.059 0.282 0.000 1.278 691 L HN 0.894 nan 8.230 nan 0.000 0.404 692 D N 2.049 122.575 120.400 0.211 0.000 2.423 692 D HA 0.470 5.097 4.640 -0.021 0.000 0.255 692 D C 1.407 177.867 176.300 0.268 0.000 1.174 692 D CA -0.128 54.031 54.000 0.265 0.000 1.008 692 D CB 0.986 41.872 40.800 0.143 0.000 1.101 692 D HN 0.285 nan 8.370 nan 0.000 0.516 693 L N 0.054 121.309 121.223 0.053 0.000 1.990 693 L HA -0.141 4.186 4.340 -0.021 0.000 0.213 693 L C 2.561 179.292 176.870 -0.231 0.000 1.072 693 L CA 2.280 56.694 54.840 -0.711 0.000 0.755 693 L CB -1.866 39.846 42.059 -0.578 0.000 0.889 693 L HN 0.620 nan 8.230 nan 0.000 0.432 694 I N 0.809 121.344 120.570 -0.060 0.000 2.226 694 I HA -0.235 3.923 4.170 -0.021 0.000 0.245 694 I C 3.022 179.159 176.117 0.035 0.000 1.100 694 I CA 1.853 63.149 61.300 -0.007 0.000 1.374 694 I CB -0.558 37.452 38.000 0.016 0.000 1.057 694 I HN 0.584 nan 8.210 nan 0.000 0.413 695 S N 0.160 115.910 115.700 0.082 0.000 2.343 695 S HA -0.291 4.166 4.470 -0.021 0.000 0.219 695 S C 2.019 176.706 174.600 0.146 0.000 1.033 695 S CA 0.946 59.214 58.200 0.113 0.000 1.014 695 S CB -1.583 61.708 63.200 0.150 0.000 0.915 695 S HN 0.634 nan 8.310 nan 0.000 0.435 696 W N 2.318 123.638 121.300 0.033 0.000 2.274 696 W HA -0.265 4.382 4.660 -0.022 0.000 0.314 696 W C 1.846 178.334 176.519 -0.052 0.000 1.254 696 W CA 1.649 59.023 57.345 0.048 0.000 1.265 696 W CB -0.391 29.148 29.460 0.133 0.000 1.141 696 W HN 0.337 nan 8.180 nan 0.000 0.505 697 L N -0.155 120.975 121.223 -0.156 0.000 2.056 697 L HA -0.241 4.087 4.340 -0.021 0.000 0.207 697 L C 2.830 179.528 176.870 -0.287 0.000 1.078 697 L CA 1.652 56.307 54.840 -0.308 0.000 0.749 697 L CB -1.106 40.842 42.059 -0.186 0.000 0.901 697 L HN -0.062 nan 8.230 nan 0.000 0.433 698 S N -0.463 115.137 115.700 -0.167 0.000 2.335 698 S HA -0.227 4.230 4.470 -0.021 0.000 0.216 698 S C 2.400 176.880 174.600 -0.201 0.000 1.032 698 S CA 1.599 59.701 58.200 -0.163 0.000 1.000 698 S CB -0.636 62.523 63.200 -0.069 0.000 0.928 698 S HN 0.372 nan 8.310 nan 0.000 0.434 699 F N 1.456 121.331 119.950 -0.125 0.000 2.257 699 F HA -0.045 4.469 4.527 -0.021 0.000 0.302 699 F C 2.386 178.040 175.800 -0.245 0.000 1.056 699 F CA 1.743 59.711 58.000 -0.053 0.000 1.353 699 F CB -1.490 37.605 39.000 0.159 0.000 1.064 699 F HN 0.622 nan 8.300 nan 0.000 0.520 700 S N -1.659 113.714 115.700 -0.544 0.000 2.573 700 S HA 0.451 4.908 4.470 -0.021 0.000 0.244 700 S C 0.389 174.714 174.600 -0.458 0.000 0.984 700 S CA 0.530 58.268 58.200 -0.770 0.000 1.001 700 S CB 0.224 62.489 63.200 -1.558 0.000 0.788 700 S HN 0.642 nan 8.310 nan 0.000 0.456 701 V N 0.019 119.752 119.914 -0.303 0.000 3.623 701 V HA 0.346 4.453 4.120 -0.021 0.000 0.283 701 V C -0.784 175.230 176.094 -0.134 0.000 1.643 701 V CA -0.115 62.062 62.300 -0.206 0.000 1.121 701 V CB 0.101 31.805 31.823 -0.199 0.000 0.933 701 V HN 0.497 nan 8.190 nan 0.000 0.420 711 H N -4.981 114.107 119.070 0.030 0.000 2.988 711 H HA 0.546 5.090 4.556 -0.021 0.000 0.284 711 H C -0.304 175.015 175.328 -0.015 0.000 1.284 711 H CA -0.319 55.760 56.048 0.051 0.000 1.431 711 H CB -0.194 29.638 29.762 0.117 0.000 1.954 711 H HN 2.163 nan 8.280 nan 0.000 0.509 712 Y N -0.409 119.903 120.300 0.021 0.000 2.823 712 Y HA -0.234 4.303 4.550 -0.021 0.000 0.067 712 Y C 1.131 176.943 175.900 -0.146 0.000 1.990 712 Y CA 0.274 58.242 58.100 -0.221 0.000 1.150 712 Y CB -2.870 35.290 38.460 -0.501 0.000 1.811 712 Y HN 0.958 nan 8.280 nan 0.000 0.302 713 S N 1.415 117.040 115.700 -0.126 0.000 2.407 713 S HA -0.204 4.253 4.470 -0.021 0.000 0.235 713 S C 1.063 175.548 174.600 -0.192 0.000 1.036 713 S CA 0.954 59.049 58.200 -0.175 0.000 1.013 713 S CB -0.521 62.570 63.200 -0.183 0.000 0.820 713 S HN 1.264 nan 8.310 nan 0.000 0.476 714 N N 0.030 118.626 118.700 -0.173 0.000 5.752 714 N HA -0.288 4.440 4.740 -0.021 0.000 0.358 714 N C -0.151 175.302 175.510 -0.095 0.000 0.922 714 N CA 0.717 53.681 53.050 -0.144 0.000 1.636 714 N CB -0.216 38.179 38.487 -0.153 0.000 0.739 714 N HN 0.171 nan 8.380 nan 0.000 0.574 731 V N 0.127 120.108 119.914 0.111 0.000 5.707 731 V HA 0.918 5.025 4.120 -0.021 0.000 0.154 731 V C 0.186 176.318 176.094 0.064 0.000 1.079 731 V CA 0.658 63.005 62.300 0.077 0.000 1.339 731 V CB 0.442 32.253 31.823 -0.020 0.000 2.372 731 V HN 0.718 nan 8.190 nan 0.000 0.319 732 Q N -0.222 119.571 119.800 -0.013 0.000 2.330 732 Q HA 0.629 4.956 4.340 -0.021 0.000 0.290 732 Q C -0.641 175.332 176.000 -0.045 0.000 0.805 732 Q CA -0.130 55.669 55.803 -0.007 0.000 1.054 732 Q CB -0.209 28.526 28.738 -0.006 0.000 1.367 732 Q HN 0.695 nan 8.270 nan 0.000 0.387 733 L N 1.852 123.039 121.223 -0.060 0.000 2.255 733 L HA 0.738 5.065 4.340 -0.021 0.000 0.289 733 L C 0.942 177.780 176.870 -0.054 0.000 1.046 733 L CA -0.861 53.931 54.840 -0.081 0.000 0.816 733 L CB 1.875 43.875 42.059 -0.099 0.000 1.197 733 L HN 0.491 nan 8.230 nan 0.000 0.427 734 A N 3.233 126.027 122.820 -0.044 0.000 2.540 734 A HA 0.227 4.534 4.320 -0.021 0.000 0.264 734 A C 1.333 178.903 177.584 -0.023 0.000 1.080 734 A CA 0.207 52.229 52.037 -0.026 0.000 0.776 734 A CB -0.441 18.547 19.000 -0.020 0.000 1.011 734 A HN 0.936 nan 8.150 nan 0.000 0.514 735 G N 2.778 111.568 108.800 -0.016 0.000 2.735 735 G HA2 0.139 4.086 3.960 -0.021 0.000 0.314 735 G HA3 0.139 4.086 3.960 -0.021 0.000 0.314 735 G C -0.017 174.880 174.900 -0.004 0.000 0.407 735 G CA 1.022 46.117 45.100 -0.009 0.000 1.432 735 G HN 0.945 nan 8.290 nan 0.000 0.308 736 D N 1.283 121.674 120.400 -0.015 0.000 2.470 736 D HA 0.157 4.785 4.640 -0.021 0.000 0.233 736 D C 0.775 177.059 176.300 -0.027 0.000 1.372 736 D CA -0.769 53.223 54.000 -0.013 0.000 0.994 736 D CB 0.888 41.678 40.800 -0.017 0.000 1.377 736 D HN 0.071 nan 8.370 nan 0.000 0.586 737 D N 2.776 123.163 120.400 -0.021 0.000 2.127 737 D HA -0.190 4.437 4.640 -0.021 0.000 0.190 737 D C 1.551 177.824 176.300 -0.045 0.000 1.000 737 D CA 2.788 56.767 54.000 -0.036 0.000 0.839 737 D CB -0.014 40.766 40.800 -0.035 0.000 0.955 737 D HN 0.602 nan 8.370 nan 0.000 0.446 738 M N -0.802 118.774 119.600 -0.040 0.000 2.332 738 M HA 0.359 4.827 4.480 -0.021 0.000 0.209 738 M C 0.117 176.378 176.300 -0.065 0.000 1.547 738 M CA 0.347 55.618 55.300 -0.047 0.000 1.863 738 M CB -0.320 32.261 32.600 -0.032 0.000 1.098 738 M HN 0.025 nan 8.290 nan 0.000 0.896 739 E N 0.966 121.133 120.200 -0.056 0.000 3.375 739 E HA -0.075 4.262 4.350 -0.021 0.000 0.160 739 E C -1.910 174.629 176.600 -0.102 0.000 1.617 739 E CA 0.531 56.894 56.400 -0.061 0.000 0.787 739 E CB -1.553 28.116 29.700 -0.052 0.000 1.087 739 E HN 0.929 nan 8.360 nan 0.000 0.375 740 V N 3.541 123.389 119.914 -0.110 0.000 2.448 740 V HA 0.541 4.649 4.120 -0.021 0.000 0.295 740 V C 0.697 176.739 176.094 -0.087 0.000 1.025 740 V CA 0.118 62.325 62.300 -0.155 0.000 0.859 740 V CB 1.698 33.399 31.823 -0.204 0.000 0.988 740 V HN 0.602 nan 8.190 nan 0.000 0.431 741 S N 4.084 119.737 115.700 -0.077 0.000 2.766 741 S HA 0.758 5.215 4.470 -0.021 0.000 0.307 741 S C 1.271 175.845 174.600 -0.043 0.000 1.121 741 S CA 0.052 58.227 58.200 -0.043 0.000 0.980 741 S CB 1.908 65.094 63.200 -0.024 0.000 1.159 741 S HN 1.000 nan 8.310 nan 0.000 0.546 742 A N 0.760 123.567 122.820 -0.022 0.000 1.972 742 A HA 0.041 4.348 4.320 -0.021 0.000 0.219 742 A C 2.086 179.661 177.584 -0.016 0.000 1.169 742 A CA 2.172 54.200 52.037 -0.016 0.000 0.635 742 A CB -1.863 17.133 19.000 -0.007 0.000 0.810 742 A HN 0.881 nan 8.150 nan 0.000 0.446 743 T N -0.427 114.118 114.554 -0.015 0.000 2.668 743 T HA -0.103 4.234 4.350 -0.021 0.000 0.262 743 T C 1.830 176.512 174.700 -0.030 0.000 1.045 743 T CA 1.516 63.610 62.100 -0.011 0.000 1.152 743 T CB -0.334 68.534 68.868 -0.001 0.000 0.864 743 T HN 0.456 nan 8.240 nan 0.000 0.419 744 E N 0.807 120.975 120.200 -0.054 0.000 2.187 744 E HA -0.110 4.227 4.350 -0.021 0.000 0.199 744 E C 1.839 178.375 176.600 -0.107 0.000 1.004 744 E CA 0.527 56.873 56.400 -0.090 0.000 0.813 744 E CB -0.502 29.119 29.700 -0.133 0.000 0.736 744 E HN 0.246 nan 8.360 nan 0.000 0.468 745 L N -0.562 120.607 121.223 -0.091 0.000 2.291 745 L HA 0.095 4.422 4.340 -0.021 0.000 0.214 745 L C 1.797 178.636 176.870 -0.051 0.000 1.120 745 L CA 1.297 56.086 54.840 -0.085 0.000 0.799 745 L CB -0.103 41.921 42.059 -0.059 0.000 0.925 745 L HN 0.177 nan 8.230 nan 0.000 0.446 746 M N -1.124 118.468 119.600 -0.013 0.000 2.505 746 M HA 0.114 4.581 4.480 -0.021 0.000 0.230 746 M C 0.152 176.478 176.300 0.043 0.000 1.153 746 M CA 0.185 55.508 55.300 0.037 0.000 0.997 746 M CB -0.087 32.550 32.600 0.061 0.000 1.606 746 M HN 0.169 nan 8.290 nan 0.000 0.481 747 N N -0.319 118.385 118.700 0.006 0.000 2.273 747 N HA 0.222 4.949 4.740 -0.021 0.000 0.231 747 N C 0.418 175.940 175.510 0.021 0.000 1.134 747 N CA 0.149 53.210 53.050 0.017 0.000 0.856 747 N CB 0.803 39.286 38.487 -0.005 0.000 1.068 747 N HN 0.427 nan 8.380 nan 0.000 0.510 748 I N -1.733 118.856 120.570 0.032 0.000 4.420 748 I HA 0.115 4.273 4.170 -0.021 0.000 0.292 748 I C 0.846 177.047 176.117 0.141 0.000 1.153 748 I CA 0.098 61.426 61.300 0.048 0.000 1.315 748 I CB 0.191 38.159 38.000 -0.054 0.000 1.616 748 I HN -0.176 nan 8.210 nan 0.000 0.450 749 L N 2.248 123.546 121.223 0.125 0.000 1.933 749 L HA -0.208 4.119 4.340 -0.021 0.000 0.220 749 L C 1.743 178.821 176.870 0.346 0.000 1.078 749 L CA 2.496 57.445 54.840 0.181 0.000 0.773 749 L CB -2.374 39.580 42.059 -0.175 0.000 0.890 749 L HN 0.559 nan 8.230 nan 0.000 0.434 750 N N 2.195 121.126 118.700 0.385 0.000 2.850 750 N HA -0.049 4.678 4.740 -0.021 0.000 0.324 750 N C 0.360 176.013 175.510 0.238 0.000 1.182 750 N CA 0.760 54.049 53.050 0.398 0.000 1.177 750 N CB -0.866 37.821 38.487 0.334 0.000 1.424 750 N HN 0.309 nan 8.380 nan 0.000 0.536 757 P HA -0.148 nan 4.420 nan 0.000 0.268 757 P C 0.068 177.271 177.300 -0.161 0.000 1.117 757 P CA 1.683 64.747 63.100 -0.061 0.000 0.747 757 P CB 0.221 31.929 31.700 0.014 0.000 0.700 758 D N 1.142 121.473 120.400 -0.116 0.000 3.345 758 D HA -0.142 4.486 4.640 -0.021 0.000 0.191 758 D C 0.366 176.585 176.300 -0.134 0.000 0.862 758 D CA 0.498 54.424 54.000 -0.123 0.000 0.901 758 D CB -1.402 39.304 40.800 -0.158 0.000 1.148 758 D HN 0.625 nan 8.370 nan 0.000 0.422 759 L N -0.139 121.018 121.223 -0.110 0.000 3.721 759 L HA -0.323 4.004 4.340 -0.021 0.000 0.625 759 L C 0.044 176.774 176.870 -0.234 0.000 1.186 759 L CA 2.168 56.934 54.840 -0.123 0.000 0.961 759 L CB -0.918 41.083 42.059 -0.097 0.000 1.418 759 L HN 0.754 nan 8.230 nan 0.000 0.838 764 F N 0.653 120.675 119.950 0.120 0.000 2.629 764 F HA 0.458 4.972 4.527 -0.021 0.000 0.377 764 F C 1.306 177.153 175.800 0.079 0.000 1.101 764 F CA 1.363 59.427 58.000 0.107 0.000 1.301 764 F CB 1.019 40.099 39.000 0.134 0.000 1.062 764 F HN 0.649 nan 8.300 nan 0.000 0.583 765 G N 2.907 111.874 108.800 0.280 0.000 2.690 765 G HA2 0.415 4.362 3.960 -0.021 0.000 0.291 765 G HA3 0.415 4.362 3.960 -0.021 0.000 0.291 765 G C 0.412 175.386 174.900 0.123 0.000 1.403 765 G CA -0.582 44.613 45.100 0.159 0.000 0.864 765 G HN 0.815 nan 8.290 nan 0.000 0.480 766 I N -0.425 120.199 120.570 0.090 0.000 2.113 766 I HA -0.219 3.938 4.170 -0.021 0.000 0.242 766 I C 1.705 177.858 176.117 0.059 0.000 1.064 766 I CA 2.262 63.602 61.300 0.067 0.000 1.320 766 I CB -0.087 37.949 38.000 0.060 0.000 1.028 766 I HN 0.552 nan 8.210 nan 0.000 0.406 767 D N 0.588 121.025 120.400 0.062 0.000 2.182 767 D HA -0.221 4.406 4.640 -0.021 0.000 0.193 767 D C 2.011 178.335 176.300 0.040 0.000 0.999 767 D CA 2.922 56.953 54.000 0.051 0.000 0.850 767 D CB -0.330 40.501 40.800 0.052 0.000 0.994 767 D HN 0.469 nan 8.370 nan 0.000 0.450 768 T N 1.242 115.835 114.554 0.065 0.000 2.531 768 T HA -0.283 4.055 4.350 -0.021 0.000 0.261 768 T C 2.258 176.986 174.700 0.047 0.000 1.141 768 T CA 1.893 64.038 62.100 0.075 0.000 1.176 768 T CB -1.128 67.834 68.868 0.156 0.000 0.863 768 T HN 0.324 nan 8.240 nan 0.000 0.424 769 C N 1.699 121.037 119.300 0.063 0.000 2.326 769 C HA -0.256 4.191 4.460 -0.021 0.000 0.269 769 C C 3.330 178.313 174.990 -0.012 0.000 1.140 769 C CA 1.942 60.969 59.018 0.015 0.000 1.798 769 C CB -1.769 25.988 27.740 0.029 0.000 2.053 769 C HN 0.807 nan 8.230 nan 0.000 0.438 770 R N -0.276 120.218 120.500 -0.009 0.000 2.143 770 R HA -0.254 4.073 4.340 -0.021 0.000 0.239 770 R C 2.286 178.525 176.300 -0.101 0.000 1.126 770 R CA 2.730 58.801 56.100 -0.048 0.000 0.927 770 R CB -1.826 28.450 30.300 -0.040 0.000 0.860 770 R HN 0.616 nan 8.270 nan 0.000 0.433 771 S N -0.544 115.094 115.700 -0.103 0.000 2.423 771 S HA -0.033 4.424 4.470 -0.021 0.000 0.231 771 S C 2.180 176.704 174.600 -0.126 0.000 1.014 771 S CA 1.561 59.670 58.200 -0.153 0.000 0.965 771 S CB -0.312 62.825 63.200 -0.105 0.000 0.785 771 S HN 0.599 nan 8.310 nan 0.000 0.495 772 M N 0.042 119.604 119.600 -0.063 0.000 2.123 772 M HA -0.044 4.423 4.480 -0.021 0.000 0.263 772 M C 2.068 178.346 176.300 -0.038 0.000 1.069 772 M CA 1.088 56.369 55.300 -0.032 0.000 1.133 772 M CB -0.434 32.167 32.600 0.002 0.000 1.356 772 M HN 0.152 nan 8.290 nan 0.000 0.415 773 V N 0.755 120.641 119.914 -0.047 0.000 2.252 773 V HA -0.348 3.760 4.120 -0.021 0.000 0.249 773 V C 2.650 178.699 176.094 -0.074 0.000 1.056 773 V CA 2.168 64.447 62.300 -0.034 0.000 1.022 773 V CB -1.384 30.425 31.823 -0.024 0.000 0.641 773 V HN 0.561 nan 8.190 nan 0.000 0.445 774 A N -0.293 122.380 122.820 -0.245 0.000 1.870 774 A HA -0.267 4.041 4.320 -0.021 0.000 0.219 774 A C 2.383 179.855 177.584 -0.187 0.000 1.224 774 A CA 2.736 54.452 52.037 -0.535 0.000 0.650 774 A CB -1.086 17.132 19.000 -1.303 0.000 0.836 774 A HN 0.347 nan 8.150 nan 0.000 0.454 775 V N -0.205 119.612 119.914 -0.162 0.000 2.594 775 V HA -0.182 3.925 4.120 -0.021 0.000 0.253 775 V C 1.901 178.017 176.094 0.037 0.000 1.069 775 V CA 1.728 64.003 62.300 -0.042 0.000 1.082 775 V CB -0.502 31.307 31.823 -0.023 0.000 0.680 775 V HN 0.550 nan 8.190 nan 0.000 0.469 776 M N 0.008 119.636 119.600 0.046 0.000 2.493 776 M HA 0.290 4.757 4.480 -0.021 0.000 0.244 776 M C 0.085 176.422 176.300 0.062 0.000 1.182 776 M CA -0.013 55.327 55.300 0.067 0.000 0.981 776 M CB -0.626 32.036 32.600 0.104 0.000 1.551 776 M HN 0.349 nan 8.290 nan 0.000 0.476 777 D N -0.033 120.425 120.400 0.096 0.000 2.256 777 D HA 0.340 4.967 4.640 -0.021 0.000 0.246 777 D C 0.471 176.832 176.300 0.102 0.000 1.042 777 D CA -0.288 53.775 54.000 0.106 0.000 0.841 777 D CB 1.462 42.354 40.800 0.153 0.000 1.223 777 D HN 0.077 nan 8.370 nan 0.000 0.470 778 S N 1.680 117.400 115.700 0.033 0.000 2.780 778 S HA 0.150 4.607 4.470 -0.021 0.000 0.248 778 S C 0.395 174.969 174.600 -0.044 0.000 1.036 778 S CA -0.495 57.706 58.200 0.001 0.000 1.061 778 S CB 0.262 63.450 63.200 -0.020 0.000 1.037 778 S HN 0.370 nan 8.310 nan 0.000 0.584 779 D N 2.233 122.609 120.400 -0.040 0.000 2.348 779 D HA 0.124 4.752 4.640 -0.021 0.000 0.211 779 D C 0.044 176.274 176.300 -0.117 0.000 0.998 779 D CA 0.712 54.669 54.000 -0.073 0.000 0.873 779 D CB -0.070 40.696 40.800 -0.057 0.000 0.925 779 D HN 0.386 nan 8.370 nan 0.000 0.524 780 T N -0.089 114.356 114.554 -0.181 0.000 3.795 780 T HA -0.178 4.160 4.350 -0.021 0.000 0.370 780 T C 1.132 175.747 174.700 -0.140 0.000 0.761 780 T CA 1.225 63.156 62.100 -0.282 0.000 1.923 780 T CB -1.841 66.820 68.868 -0.346 0.000 1.795 780 T HN 0.341 nan 8.240 nan 0.000 0.762 781 T N -2.804 111.717 114.554 -0.055 0.000 3.023 781 T HA 0.481 4.818 4.350 -0.021 0.000 0.253 781 T C 1.956 176.662 174.700 0.010 0.000 1.038 781 T CA 0.635 62.722 62.100 -0.022 0.000 0.962 781 T CB 0.714 69.577 68.868 -0.009 0.000 1.018 781 T HN 1.520 nan 8.240 nan 0.000 0.521 782 G N 0.713 109.548 108.800 0.058 0.000 2.179 782 G HA2 0.025 3.972 3.960 -0.021 0.000 0.260 782 G HA3 0.025 3.972 3.960 -0.021 0.000 0.260 782 G C 0.224 175.151 174.900 0.046 0.000 0.977 782 G CA 0.579 45.726 45.100 0.079 0.000 0.641 782 G HN 1.068 nan 8.290 nan 0.000 0.533 783 K N -1.091 119.329 120.400 0.033 0.000 2.331 783 K HA 0.995 5.302 4.320 -0.021 0.000 0.238 783 K C -0.986 175.626 176.600 0.021 0.000 1.058 783 K CA -0.346 55.947 56.287 0.010 0.000 0.871 783 K CB 1.445 33.942 32.500 -0.006 0.000 1.292 783 K HN 0.848 nan 8.250 nan 0.000 0.470 784 L N 0.568 121.797 121.223 0.010 0.000 2.431 784 L HA 0.629 4.956 4.340 -0.021 0.000 0.266 784 L C 1.076 177.963 176.870 0.029 0.000 0.978 784 L CA -0.251 54.614 54.840 0.041 0.000 0.822 784 L CB 1.956 44.062 42.059 0.079 0.000 1.310 784 L HN 1.065 nan 8.230 nan 0.000 0.409 785 G N 1.634 110.458 108.800 0.040 0.000 2.518 785 G HA2 0.245 4.192 3.960 -0.021 0.000 0.284 785 G HA3 0.245 4.192 3.960 -0.021 0.000 0.284 785 G C 0.849 175.797 174.900 0.080 0.000 1.362 785 G CA 0.503 45.625 45.100 0.036 0.000 1.065 785 G HN 0.556 nan 8.290 nan 0.000 0.561 786 F N -1.391 118.599 119.950 0.066 0.000 2.140 786 F HA 0.141 4.655 4.527 -0.021 0.000 0.278 786 F C 2.623 178.492 175.800 0.115 0.000 1.121 786 F CA 1.644 59.703 58.000 0.098 0.000 1.139 786 F CB -1.232 37.797 39.000 0.048 0.000 1.062 786 F HN 0.485 nan 8.300 nan 0.000 0.501 787 E N 0.699 120.939 120.200 0.066 0.000 2.095 787 E HA -0.258 4.080 4.350 -0.021 0.000 0.212 787 E C 1.775 178.427 176.600 0.086 0.000 1.044 787 E CA 1.808 58.245 56.400 0.061 0.000 0.857 787 E CB -1.082 28.631 29.700 0.022 0.000 0.764 787 E HN 0.852 nan 8.360 nan 0.000 0.462 788 E N 0.011 120.256 120.200 0.076 0.000 2.510 788 E HA -0.165 4.172 4.350 -0.021 0.000 0.202 788 E C 1.646 178.352 176.600 0.177 0.000 1.072 788 E CA 0.700 57.156 56.400 0.093 0.000 0.883 788 E CB -0.268 29.458 29.700 0.044 0.000 0.818 788 E HN 0.294 nan 8.360 nan 0.000 0.548 789 F N 1.572 121.564 119.950 0.071 0.000 2.536 789 F HA 0.220 4.734 4.527 -0.021 0.000 0.278 789 F C 2.551 178.402 175.800 0.085 0.000 0.945 789 F CA 1.502 59.523 58.000 0.035 0.000 1.244 789 F CB -0.567 38.402 39.000 -0.052 0.000 1.118 789 F HN -0.043 nan 8.300 nan 0.000 0.725 790 K N 0.662 120.938 120.400 -0.207 0.000 2.148 790 K HA -0.334 3.973 4.320 -0.021 0.000 0.213 790 K C 2.054 178.619 176.600 -0.059 0.000 1.050 790 K CA 2.551 58.749 56.287 -0.150 0.000 0.932 790 K CB -2.554 29.959 32.500 0.022 0.000 0.717 790 K HN 0.756 nan 8.250 nan 0.000 0.462 791 Y N -0.389 119.841 120.300 -0.116 0.000 2.231 791 Y HA 0.112 4.649 4.550 -0.021 0.000 0.294 791 Y C 2.194 178.014 175.900 -0.135 0.000 1.120 791 Y CA 1.186 59.225 58.100 -0.103 0.000 1.141 791 Y CB -0.123 38.304 38.460 -0.056 0.000 1.022 791 Y HN 0.121 nan 8.280 nan 0.000 0.523 792 L N 0.141 121.415 121.223 0.085 0.000 2.187 792 L HA -0.201 4.126 4.340 -0.021 0.000 0.213 792 L C 2.106 178.919 176.870 -0.094 0.000 1.100 792 L CA 1.788 56.622 54.840 -0.010 0.000 0.765 792 L CB -1.043 41.091 42.059 0.124 0.000 0.904 792 L HN 0.651 nan 8.230 nan 0.000 0.437 793 W N -0.612 120.408 121.300 -0.466 0.000 2.576 793 W HA -0.097 4.551 4.660 -0.021 0.000 0.275 793 W C 1.558 177.855 176.519 -0.371 0.000 1.241 793 W CA 0.182 57.239 57.345 -0.479 0.000 1.328 793 W CB 0.170 29.155 29.460 -0.792 0.000 1.092 793 W HN 0.221 nan 8.180 nan 0.000 0.586 794 N N 0.868 119.384 118.700 -0.305 0.000 2.571 794 N HA -0.093 4.634 4.740 -0.021 0.000 0.189 794 N C 0.624 175.786 175.510 -0.580 0.000 1.154 794 N CA 1.042 53.825 53.050 -0.444 0.000 0.907 794 N CB -0.431 37.845 38.487 -0.353 0.000 0.977 794 N HN 0.486 nan 8.380 nan 0.000 0.449 795 N N -0.170 118.127 118.700 -0.672 0.000 2.454 795 N HA 0.074 4.802 4.740 -0.021 0.000 0.177 795 N C 2.142 177.190 175.510 -0.770 0.000 1.049 795 N CA 0.576 52.968 53.050 -1.096 0.000 0.887 795 N CB 0.214 37.553 38.487 -1.914 0.000 1.095 795 N HN 0.109 nan 8.380 nan 0.000 0.446 796 I N 1.936 122.282 120.570 -0.374 0.000 2.090 796 I HA -0.133 4.024 4.170 -0.021 0.000 0.236 796 I C 2.362 178.403 176.117 -0.127 0.000 1.064 796 I CA 1.645 62.913 61.300 -0.053 0.000 1.324 796 I CB -1.087 36.961 38.000 0.079 0.000 1.044 796 I HN -0.005 nan 8.210 nan 0.000 0.399 797 K N 0.527 120.700 120.400 -0.378 0.000 2.189 797 K HA -0.288 4.020 4.320 -0.021 0.000 0.207 797 K C 2.097 178.542 176.600 -0.258 0.000 1.046 797 K CA 2.213 58.264 56.287 -0.393 0.000 0.928 797 K CB -0.538 31.540 32.500 -0.703 0.000 0.720 797 K HN 0.853 nan 8.250 nan 0.000 0.458 798 K N -0.593 119.616 120.400 -0.319 0.000 2.044 798 K HA -0.083 4.224 4.320 -0.021 0.000 0.204 798 K C 1.705 178.252 176.600 -0.087 0.000 1.045 798 K CA 0.565 56.710 56.287 -0.236 0.000 0.951 798 K CB -0.124 32.158 32.500 -0.364 0.000 0.738 798 K HN 0.051 nan 8.250 nan 0.000 0.443 799 W N 2.697 123.954 121.300 -0.073 0.000 2.436 799 W HA -0.147 4.500 4.660 -0.022 0.000 0.261 799 W C 1.918 178.532 176.519 0.159 0.000 1.222 799 W CA 0.660 57.994 57.345 -0.017 0.000 1.191 799 W CB -0.678 28.663 29.460 -0.198 0.000 1.132 799 W HN 0.499 nan 8.180 nan 0.000 0.596 800 Q N -0.006 120.010 119.800 0.359 0.000 1.922 800 Q HA 0.009 4.336 4.340 -0.021 0.000 0.201 800 Q C 1.425 177.658 176.000 0.390 0.000 0.979 800 Q CA 1.142 57.226 55.803 0.468 0.000 0.841 800 Q CB -0.736 28.208 28.738 0.343 0.000 0.903 800 Q HN 0.039 nan 8.270 nan 0.000 0.431 801 G N 0.520 109.459 108.800 0.233 0.000 2.327 801 G HA2 0.340 4.287 3.960 -0.021 0.000 0.278 801 G HA3 0.340 4.287 3.960 -0.021 0.000 0.278 801 G C -0.742 174.318 174.900 0.266 0.000 1.145 801 G CA 0.644 45.861 45.100 0.196 0.000 1.097 801 G HN 0.436 nan 8.290 nan 0.000 0.430 802 I N 2.331 123.092 120.570 0.319 0.000 2.654 802 I HA 0.797 4.954 4.170 -0.021 0.000 0.282 802 I C -1.129 175.211 176.117 0.371 0.000 1.258 802 I CA -1.203 60.337 61.300 0.400 0.000 1.088 802 I CB 0.287 38.640 38.000 0.588 0.000 1.316 802 I HN 0.918 nan 8.210 nan 0.000 0.448 809 D N 5.200 125.628 120.400 0.047 0.000 2.606 809 D HA -0.033 4.594 4.640 -0.021 0.000 0.234 809 D C 0.596 176.900 176.300 0.006 0.000 1.140 809 D CA -0.324 53.698 54.000 0.037 0.000 1.182 809 D CB -0.017 40.802 40.800 0.032 0.000 1.130 809 D HN 0.588 nan 8.370 nan 0.000 0.485 810 R N -0.198 120.305 120.500 0.006 0.000 3.314 810 R HA -0.241 4.087 4.340 -0.021 0.000 0.243 810 R C 0.821 177.109 176.300 -0.019 0.000 0.954 810 R CA 1.051 57.146 56.100 -0.008 0.000 0.645 810 R CB -2.245 28.052 30.300 -0.005 0.000 1.022 810 R HN 0.724 nan 8.270 nan 0.000 0.468 811 S N -0.230 115.453 115.700 -0.028 0.000 3.006 811 S HA 0.678 5.136 4.470 -0.021 0.000 0.225 811 S C 0.918 175.490 174.600 -0.047 0.000 1.097 811 S CA 0.013 58.191 58.200 -0.036 0.000 1.260 811 S CB 0.237 63.411 63.200 -0.042 0.000 1.085 811 S HN 0.317 nan 8.310 nan 0.000 0.568 821 G N 1.068 109.923 108.800 0.091 0.000 4.126 821 G HA2 0.437 4.384 3.960 -0.021 0.000 0.282 821 G HA3 0.437 4.384 3.960 -0.021 0.000 0.282 821 G C 0.822 175.865 174.900 0.238 0.000 1.221 821 G CA 0.097 45.266 45.100 0.115 0.000 1.527 821 G HN 0.623 nan 8.290 nan 0.000 0.612 822 A N 0.274 123.306 122.820 0.353 0.000 2.255 822 A HA 0.282 4.589 4.320 -0.021 0.000 0.206 822 A C 1.445 179.350 177.584 0.537 0.000 1.193 822 A CA 0.279 52.584 52.037 0.447 0.000 0.794 822 A CB -0.304 18.980 19.000 0.472 0.000 0.794 822 A HN 0.445 nan 8.150 nan 0.000 0.481 823 F N -0.099 119.993 119.950 0.237 0.000 2.059 823 F HA 0.081 4.595 4.527 -0.021 0.000 0.289 823 F C 2.939 178.891 175.800 0.253 0.000 1.128 823 F CA 1.555 59.679 58.000 0.207 0.000 1.181 823 F CB -1.002 38.098 39.000 0.166 0.000 1.012 823 F HN 0.367 nan 8.300 nan 0.000 0.473 824 E N 0.402 120.803 120.200 0.335 0.000 2.085 824 E HA -0.124 4.213 4.350 -0.021 0.000 0.194 824 E C 2.129 178.776 176.600 0.079 0.000 0.994 824 E CA 1.314 57.785 56.400 0.118 0.000 0.801 824 E CB -1.512 28.038 29.700 -0.250 0.000 0.743 824 E HN 0.371 nan 8.360 nan 0.000 0.453 825 A N -0.313 122.583 122.820 0.127 0.000 2.255 825 A HA 0.252 4.559 4.320 -0.021 0.000 0.218 825 A C 2.327 180.021 177.584 0.183 0.000 1.175 825 A CA 2.334 54.454 52.037 0.139 0.000 0.682 825 A CB -0.329 18.789 19.000 0.197 0.000 0.784 825 A HN 1.244 nan 8.150 nan 0.000 0.482 826 A N -4.060 118.899 122.820 0.231 0.000 2.474 826 A HA 0.530 4.837 4.320 -0.021 0.000 0.221 826 A C 1.404 179.146 177.584 0.263 0.000 1.298 826 A CA 0.978 53.199 52.037 0.306 0.000 1.008 826 A CB 0.241 19.454 19.000 0.354 0.000 1.217 826 A HN 1.557 nan 8.150 nan 0.000 0.553 827 G N -0.985 107.883 108.800 0.114 0.000 3.876 827 G HA2 0.060 4.007 3.960 -0.021 0.000 0.203 827 G HA3 0.060 4.007 3.960 -0.021 0.000 0.203 827 G C -0.433 174.197 174.900 -0.451 0.000 1.162 827 G CA -0.195 44.758 45.100 -0.244 0.000 0.903 827 G HN 0.292 nan 8.290 nan 0.000 0.390 828 F N 2.819 122.763 119.950 -0.010 0.000 2.332 828 F HA 0.573 5.088 4.527 -0.021 0.000 0.368 828 F C 0.226 176.122 175.800 0.160 0.000 1.110 828 F CA -0.865 57.131 58.000 -0.006 0.000 1.087 828 F CB 1.098 40.093 39.000 -0.010 0.000 1.235 828 F HN 0.222 nan 8.300 nan 0.000 0.470 829 H N 4.715 123.836 119.070 0.085 0.000 2.556 829 H HA 0.603 5.146 4.556 -0.021 0.000 0.310 829 H C -0.818 174.608 175.328 0.163 0.000 1.057 829 H CA -0.765 55.364 56.048 0.135 0.000 1.264 829 H CB 0.851 30.648 29.762 0.060 0.000 1.404 829 H HN 0.562 nan 8.280 nan 0.000 0.462 830 L N 3.852 125.306 121.223 0.385 0.000 2.360 830 L HA 0.267 4.594 4.340 -0.021 0.000 0.271 830 L C 0.506 177.402 176.870 0.043 0.000 1.057 830 L CA -0.678 54.298 54.840 0.226 0.000 0.803 830 L CB 1.387 43.618 42.059 0.287 0.000 1.207 830 L HN 0.645 nan 8.230 nan 0.000 0.445 831 N N -0.099 118.555 118.700 -0.076 0.000 1.785 831 N HA 0.053 4.780 4.740 -0.021 0.000 0.207 831 N C 0.592 175.976 175.510 -0.209 0.000 1.228 831 N CA -0.157 52.819 53.050 -0.125 0.000 0.988 831 N CB 0.028 38.444 38.487 -0.118 0.000 1.281 831 N HN 0.550 nan 8.380 nan 0.000 0.374 832 Q N 0.791 120.427 119.800 -0.274 0.000 2.674 832 Q HA -0.233 4.094 4.340 -0.021 0.000 0.776 832 Q C 0.382 176.176 176.000 -0.343 0.000 1.012 832 Q CA 1.439 57.060 55.803 -0.303 0.000 1.115 832 Q CB -1.381 27.197 28.738 -0.267 0.000 1.349 832 Q HN 0.814 nan 8.270 nan 0.000 0.507 833 H N -2.051 117.017 119.070 -0.002 0.000 1.807 833 H HA -0.090 4.454 4.556 -0.021 0.000 0.360 833 H C 0.965 176.270 175.328 -0.039 0.000 2.750 833 H CA 1.613 57.651 56.048 -0.016 0.000 1.300 833 H CB -1.149 28.605 29.762 -0.013 0.000 1.587 833 H HN 1.145 nan 8.280 nan 0.000 0.516 834 I N -4.310 116.394 120.570 0.224 0.000 1.556 834 I HA 0.322 4.480 4.170 -0.021 0.000 0.310 834 I C 0.203 176.297 176.117 -0.038 0.000 3.208 834 I CA 0.736 62.036 61.300 -0.000 0.000 1.060 834 I CB -1.520 nan 38.000 nan 0.000 2.591 834 I HN 2.711 nan 8.210 nan 0.000 0.697 835 Y N -3.018 117.247 120.300 -0.057 0.000 2.924 835 Y HA 0.680 5.217 4.550 -0.021 0.000 0.370 835 Y C 1.014 176.873 175.900 -0.067 0.000 1.137 835 Y CA 0.402 58.466 58.100 -0.060 0.000 1.164 835 Y CB -2.124 nan 38.460 nan 0.000 2.620 835 Y HN 3.223 nan 8.280 nan 0.000 0.417 846 T N -0.727 113.807 114.554 -0.033 0.000 3.753 846 T HA 0.626 4.963 4.350 -0.021 0.000 0.299 846 T C 1.329 176.002 174.700 -0.045 0.000 1.202 846 T CA 0.486 62.565 62.100 -0.036 0.000 0.945 846 T CB -0.428 68.419 68.868 -0.036 0.000 2.279 846 T HN 1.579 nan 8.240 nan 0.000 0.509 847 G N 1.801 110.569 108.800 -0.053 0.000 2.367 847 G HA2 0.402 4.349 3.960 -0.021 0.000 0.280 847 G HA3 0.402 4.349 3.960 -0.021 0.000 0.280 847 G C 0.521 175.373 174.900 -0.081 0.000 1.175 847 G CA -0.142 44.916 45.100 -0.070 0.000 1.001 847 G HN 0.744 nan 8.290 nan 0.000 0.437 848 N N 3.159 121.812 118.700 -0.077 0.000 2.269 848 N HA 0.089 4.817 4.740 -0.021 0.000 0.236 848 N C 1.083 176.532 175.510 -0.101 0.000 1.101 848 N CA -0.431 52.572 53.050 -0.078 0.000 1.155 848 N CB -0.385 38.069 38.487 -0.055 0.000 1.526 848 N HN 0.548 nan 8.380 nan 0.000 0.582 849 M N 2.197 121.752 119.600 -0.075 0.000 4.043 849 M HA -0.214 4.253 4.480 -0.021 0.000 0.157 849 M C -1.608 174.650 176.300 -0.069 0.000 1.532 849 M CA 0.239 55.508 55.300 -0.053 0.000 1.096 849 M CB -0.461 32.113 32.600 -0.043 0.000 1.346 849 M HN 0.573 nan 8.290 nan 0.000 0.194 850 D N 4.498 124.884 120.400 -0.022 0.000 2.437 850 D HA 0.319 4.946 4.640 -0.021 0.000 0.259 850 D C 0.550 176.904 176.300 0.089 0.000 1.118 850 D CA -0.285 53.717 54.000 0.003 0.000 1.017 850 D CB 0.219 41.016 40.800 -0.005 0.000 1.120 850 D HN 0.544 nan 8.370 nan 0.000 0.541 851 F N 0.344 120.267 119.950 -0.045 0.000 2.154 851 F HA -0.252 4.262 4.527 -0.021 0.000 0.301 851 F C 1.763 177.578 175.800 0.025 0.000 1.087 851 F CA 2.292 60.321 58.000 0.049 0.000 1.274 851 F CB -0.078 38.944 39.000 0.036 0.000 1.009 851 F HN 0.488 nan 8.300 nan 0.000 0.485 852 D N -0.138 120.219 120.400 -0.071 0.000 2.084 852 D HA -0.224 4.404 4.640 -0.021 0.000 0.196 852 D C 1.529 177.777 176.300 -0.087 0.000 0.985 852 D CA 2.131 55.916 54.000 -0.359 0.000 0.826 852 D CB -0.991 39.638 40.800 -0.285 0.000 0.978 852 D HN 0.509 nan 8.370 nan 0.000 0.456 853 N N -1.273 117.423 118.700 -0.007 0.000 2.494 853 N HA -0.046 4.681 4.740 -0.021 0.000 0.182 853 N C 1.164 176.738 175.510 0.108 0.000 1.076 853 N CA 0.122 53.198 53.050 0.043 0.000 0.908 853 N CB 0.051 38.560 38.487 0.037 0.000 0.967 853 N HN 0.200 nan 8.380 nan 0.000 0.449 854 F N 2.185 122.075 119.950 -0.101 0.000 2.188 854 F HA 0.140 4.654 4.527 -0.021 0.000 0.289 854 F C 2.006 177.646 175.800 -0.267 0.000 1.082 854 F CA 0.324 58.259 58.000 -0.109 0.000 1.282 854 F CB -0.332 38.623 39.000 -0.076 0.000 1.060 854 F HN -0.194 nan 8.300 nan 0.000 0.493 855 I N 1.160 121.625 120.570 -0.175 0.000 2.381 855 I HA -0.295 3.862 4.170 -0.021 0.000 0.255 855 I C 2.510 178.465 176.117 -0.271 0.000 1.140 855 I CA 1.926 63.007 61.300 -0.365 0.000 1.404 855 I CB -2.099 35.746 38.000 -0.258 0.000 1.075 855 I HN 0.456 nan 8.210 nan 0.000 0.433 856 S N -1.234 114.377 115.700 -0.148 0.000 2.503 856 S HA -0.073 4.384 4.470 -0.021 0.000 0.215 856 S C 2.212 176.690 174.600 -0.203 0.000 1.003 856 S CA 0.527 58.672 58.200 -0.092 0.000 0.910 856 S CB -0.440 62.781 63.200 0.035 0.000 0.790 856 S HN 0.396 nan 8.310 nan 0.000 0.514 857 C N 0.479 119.610 119.300 -0.282 0.000 2.466 857 C HA 0.208 4.656 4.460 -0.021 0.000 0.278 857 C C 2.699 177.292 174.990 -0.662 0.000 1.288 857 C CA 1.328 60.147 59.018 -0.332 0.000 1.722 857 C CB -1.146 26.472 27.740 -0.204 0.000 2.017 857 C HN 0.680 nan 8.230 nan 0.000 0.488 858 L N -0.188 120.369 121.223 -1.111 0.000 2.700 858 L HA 0.215 4.542 4.340 -0.021 0.000 0.240 858 L C 1.996 178.123 176.870 -1.238 0.000 1.162 858 L CA 1.676 55.431 54.840 -1.808 0.000 0.874 858 L CB -1.401 38.759 42.059 -3.166 0.000 1.001 858 L HN 0.422 nan 8.230 nan 0.000 0.447 859 V N -1.609 117.982 119.914 -0.538 0.000 3.359 859 V HA 0.020 4.127 4.120 -0.021 0.000 0.245 859 V C 2.521 178.598 176.094 -0.029 0.000 1.247 859 V CA 0.951 63.211 62.300 -0.068 0.000 1.145 859 V CB 0.158 32.004 31.823 0.039 0.000 0.906 859 V HN 0.747 nan 8.190 nan 0.000 0.464 860 R N -0.367 120.052 120.500 -0.136 0.000 2.210 860 R HA 0.133 4.460 4.340 -0.021 0.000 0.203 860 R C 1.933 178.195 176.300 -0.064 0.000 1.010 860 R CA 0.502 56.552 56.100 -0.083 0.000 1.008 860 R CB -0.088 30.139 30.300 -0.121 0.000 0.923 860 R HN 0.311 nan 8.270 nan 0.000 0.469 861 L N 1.650 122.773 121.223 -0.167 0.000 2.162 861 L HA -0.060 4.267 4.340 -0.021 0.000 0.205 861 L C 1.896 178.968 176.870 0.337 0.000 1.086 861 L CA 1.775 56.598 54.840 -0.028 0.000 0.778 861 L CB -0.285 41.620 42.059 -0.256 0.000 0.928 861 L HN 0.028 nan 8.230 nan 0.000 0.446 862 D N -0.277 120.269 120.400 0.244 0.000 2.077 862 D HA -0.185 4.442 4.640 -0.021 0.000 0.196 862 D C 2.152 178.729 176.300 0.462 0.000 0.986 862 D CA 1.629 55.976 54.000 0.577 0.000 0.829 862 D CB -0.181 41.013 40.800 0.656 0.000 0.983 862 D HN 0.294 nan 8.370 nan 0.000 0.453 863 A N 0.588 123.599 122.820 0.319 0.000 1.909 863 A HA -0.257 4.051 4.320 -0.021 0.000 0.221 863 A C 2.758 180.504 177.584 0.271 0.000 1.223 863 A CA 4.217 56.401 52.037 0.246 0.000 0.658 863 A CB -1.505 17.588 19.000 0.155 0.000 0.831 863 A HN 0.526 nan 8.150 nan 0.000 0.462 864 M N -2.607 117.139 119.600 0.242 0.000 2.506 864 M HA 0.371 4.838 4.480 -0.021 0.000 0.260 864 M C 2.205 178.754 176.300 0.416 0.000 1.104 864 M CA 1.511 56.998 55.300 0.312 0.000 1.112 864 M CB -1.652 30.941 32.600 -0.012 0.000 1.401 864 M HN 0.503 nan 8.290 nan 0.000 0.473 865 F N 1.049 121.203 119.950 0.340 0.000 2.128 865 F HA -0.039 4.475 4.527 -0.021 0.000 0.295 865 F C 3.013 178.989 175.800 0.294 0.000 1.100 865 F CA 2.369 60.556 58.000 0.311 0.000 1.260 865 F CB -0.218 38.955 39.000 0.288 0.000 1.009 865 F HN 0.384 nan 8.300 nan 0.000 0.476 866 R N 0.409 121.180 120.500 0.451 0.000 2.152 866 R HA -0.015 4.313 4.340 -0.021 0.000 0.232 866 R C 2.052 178.483 176.300 0.217 0.000 1.117 866 R CA 1.378 57.648 56.100 0.283 0.000 0.981 866 R CB -1.939 28.490 30.300 0.215 0.000 0.870 866 R HN 0.400 nan 8.270 nan 0.000 0.451 867 A N -0.419 122.559 122.820 0.263 0.000 1.898 867 A HA 0.086 4.393 4.320 -0.021 0.000 0.216 867 A C 2.234 179.860 177.584 0.069 0.000 1.181 867 A CA 1.237 53.378 52.037 0.172 0.000 0.620 867 A CB -0.510 18.667 19.000 0.295 0.000 0.819 867 A HN 0.560 nan 8.150 nan 0.000 0.442 868 F N 0.699 120.654 119.950 0.007 0.000 2.095 868 F HA -0.236 4.278 4.527 -0.021 0.000 0.298 868 F C 2.589 178.371 175.800 -0.030 0.000 1.104 868 F CA 2.117 60.056 58.000 -0.102 0.000 1.232 868 F CB -0.093 38.908 39.000 0.003 0.000 0.987 868 F HN 0.146 nan 8.300 nan 0.000 0.475 869 R N -0.178 120.448 120.500 0.211 0.000 2.082 869 R HA -0.163 4.165 4.340 -0.021 0.000 0.228 869 R C 2.261 178.554 176.300 -0.010 0.000 1.140 869 R CA 1.718 57.887 56.100 0.115 0.000 0.920 869 R CB -1.243 29.141 30.300 0.141 0.000 0.828 869 R HN 0.164 nan 8.270 nan 0.000 0.430 870 S N 1.131 116.835 115.700 0.006 0.000 2.429 870 S HA -0.218 4.239 4.470 -0.021 0.000 0.251 870 S C 1.860 176.413 174.600 -0.077 0.000 1.104 870 S CA 1.669 59.852 58.200 -0.029 0.000 1.130 870 S CB -0.355 62.833 63.200 -0.020 0.000 1.000 870 S HN 0.113 nan 8.310 nan 0.000 0.449 871 L N 1.263 122.402 121.223 -0.141 0.000 2.034 871 L HA 0.126 4.453 4.340 -0.021 0.000 0.203 871 L C 1.391 178.134 176.870 -0.212 0.000 1.074 871 L CA 1.478 56.200 54.840 -0.196 0.000 0.748 871 L CB -1.199 40.685 42.059 -0.291 0.000 0.905 871 L HN 0.280 nan 8.230 nan 0.000 0.439 872 D N -0.197 120.025 120.400 -0.297 0.000 2.994 872 D HA 0.166 4.793 4.640 -0.021 0.000 0.240 872 D C 1.543 177.772 176.300 -0.120 0.000 1.195 872 D CA 0.437 54.286 54.000 -0.252 0.000 0.957 872 D CB 0.150 40.702 40.800 -0.414 0.000 1.105 872 D HN 0.157 nan 8.370 nan 0.000 0.477 873 K N 1.320 121.669 120.400 -0.086 0.000 2.074 873 K HA -0.184 4.124 4.320 -0.021 0.000 0.209 873 K C 1.299 177.884 176.600 -0.026 0.000 1.048 873 K CA 1.408 57.668 56.287 -0.045 0.000 0.926 873 K CB -1.003 31.472 32.500 -0.042 0.000 0.713 873 K HN 0.556 nan 8.250 nan 0.000 0.444 874 N N 0.474 119.155 118.700 -0.032 0.000 2.509 874 N HA 0.134 4.861 4.740 -0.021 0.000 0.239 874 N C 0.874 176.379 175.510 -0.007 0.000 1.215 874 N CA 0.411 53.450 53.050 -0.018 0.000 0.882 874 N CB 0.131 38.605 38.487 -0.021 0.000 1.189 874 N HN 0.573 nan 8.380 nan 0.000 0.490 875 G N 1.994 110.796 108.800 0.003 0.000 2.429 875 G HA2 -0.431 3.516 3.960 -0.021 0.000 0.314 875 G HA3 -0.431 3.516 3.960 -0.021 0.000 0.314 875 G C 1.427 176.343 174.900 0.026 0.000 0.957 875 G CA 1.648 46.765 45.100 0.028 0.000 0.806 875 G HN 0.516 nan 8.290 nan 0.000 0.511 876 T N -2.935 111.618 114.554 -0.002 0.000 2.760 876 T HA 0.114 4.451 4.350 -0.021 0.000 0.269 876 T C 2.560 177.274 174.700 0.024 0.000 1.047 876 T CA 2.512 64.611 62.100 -0.000 0.000 1.139 876 T CB -0.366 68.490 68.868 -0.020 0.000 0.855 876 T HN 2.244 nan 8.240 nan 0.000 0.471 877 G N 0.723 109.553 108.800 0.049 0.000 2.238 877 G HA2 -0.199 3.748 3.960 -0.021 0.000 0.217 877 G HA3 -0.199 3.748 3.960 -0.021 0.000 0.217 877 G C -0.019 175.012 174.900 0.218 0.000 0.996 877 G CA 0.311 45.496 45.100 0.142 0.000 0.632 877 G HN 1.102 nan 8.290 nan 0.000 0.503 878 Q N 0.995 120.844 119.800 0.082 0.000 2.340 878 Q HA 0.711 5.038 4.340 -0.021 0.000 0.268 878 Q C 0.300 176.216 176.000 -0.140 0.000 1.031 878 Q CA -1.027 54.801 55.803 0.042 0.000 0.804 878 Q CB 1.979 30.742 28.738 0.042 0.000 1.286 878 Q HN 0.891 nan 8.270 nan 0.000 0.448 879 I N -0.422 119.995 120.570 -0.256 0.000 3.223 879 I HA 0.610 4.767 4.170 -0.021 0.000 0.317 879 I C -0.555 175.452 176.117 -0.182 0.000 1.050 879 I CA -0.912 60.195 61.300 -0.321 0.000 1.069 879 I CB 1.550 39.217 38.000 -0.554 0.000 1.406 879 I HN 0.896 nan 8.210 nan 0.000 0.596 880 Q N 1.708 121.414 119.800 -0.156 0.000 2.479 880 Q HA 0.681 5.008 4.340 -0.021 0.000 0.276 880 Q C -2.244 173.728 176.000 -0.046 0.000 0.989 880 Q CA -0.775 54.974 55.803 -0.090 0.000 0.864 880 Q CB 2.668 31.360 28.738 -0.076 0.000 1.444 880 Q HN 0.788 nan 8.270 nan 0.000 0.388 881 V N 0.040 119.965 119.914 0.019 0.000 3.147 881 V HA 0.513 4.620 4.120 -0.021 0.000 0.299 881 V C -1.007 175.229 176.094 0.237 0.000 1.302 881 V CA -1.156 61.208 62.300 0.106 0.000 1.015 881 V CB 1.660 33.576 31.823 0.156 0.000 1.086 881 V HN 1.003 nan 8.190 nan 0.000 0.437 882 N N 0.927 119.738 118.700 0.184 0.000 2.445 882 N HA 0.494 5.222 4.740 -0.021 0.000 0.264 882 N C 0.936 176.387 175.510 -0.098 0.000 1.227 882 N CA -0.504 52.654 53.050 0.181 0.000 0.963 882 N CB 0.996 39.500 38.487 0.029 0.000 1.188 882 N HN 0.817 nan 8.380 nan 0.000 0.491 883 I N -0.785 119.302 120.570 -0.805 0.000 2.227 883 I HA -0.459 3.698 4.170 -0.021 0.000 0.250 883 I C 2.326 178.237 176.117 -0.344 0.000 1.087 883 I CA 1.819 62.509 61.300 -1.016 0.000 1.352 883 I CB -0.096 37.406 38.000 -0.831 0.000 1.043 883 I HN 0.735 nan 8.210 nan 0.000 0.425 884 Q N 0.477 120.153 119.800 -0.207 0.000 1.965 884 Q HA -0.256 4.071 4.340 -0.021 0.000 0.200 884 Q C 2.070 178.044 176.000 -0.044 0.000 0.981 884 Q CA 2.172 57.901 55.803 -0.123 0.000 0.834 884 Q CB -0.108 28.579 28.738 -0.085 0.000 0.900 884 Q HN 0.540 nan 8.270 nan 0.000 0.426 885 E N -0.311 119.897 120.200 0.014 0.000 2.150 885 E HA -0.182 4.156 4.350 -0.021 0.000 0.193 885 E C 1.614 178.287 176.600 0.122 0.000 0.985 885 E CA 0.688 57.113 56.400 0.042 0.000 0.814 885 E CB -0.359 29.369 29.700 0.046 0.000 0.752 885 E HN 0.570 nan 8.360 nan 0.000 0.466 886 W N 1.811 123.092 121.300 -0.031 0.000 2.355 886 W HA -0.203 4.444 4.660 -0.021 0.000 0.309 886 W C 1.522 178.021 176.519 -0.032 0.000 1.206 886 W CA 1.028 58.397 57.345 0.041 0.000 1.284 886 W CB -0.227 29.299 29.460 0.109 0.000 1.145 886 W HN 0.059 nan 8.180 nan 0.000 0.502 887 L N 0.936 122.118 121.223 -0.068 0.000 1.990 887 L HA -0.327 4.000 4.340 -0.021 0.000 0.213 887 L C 2.843 179.577 176.870 -0.227 0.000 1.072 887 L CA 1.979 56.645 54.840 -0.290 0.000 0.755 887 L CB -1.282 40.609 42.059 -0.280 0.000 0.889 887 L HN 0.087 nan 8.230 nan 0.000 0.432 888 Q N -0.296 119.424 119.800 -0.134 0.000 2.142 888 Q HA -0.293 4.034 4.340 -0.021 0.000 0.213 888 Q C 2.292 178.262 176.000 -0.050 0.000 1.004 888 Q CA 1.870 57.621 55.803 -0.086 0.000 0.883 888 Q CB -0.301 28.402 28.738 -0.059 0.000 0.939 888 Q HN 0.521 nan 8.270 nan 0.000 0.413 889 L N -0.348 120.837 121.223 -0.063 0.000 2.102 889 L HA -0.113 4.214 4.340 -0.021 0.000 0.202 889 L C 2.726 179.540 176.870 -0.093 0.000 1.076 889 L CA 1.492 56.336 54.840 0.007 0.000 0.761 889 L CB -0.375 41.743 42.059 0.098 0.000 0.921 889 L HN 0.403 nan 8.230 nan 0.000 0.444 890 T N -3.649 110.724 114.554 -0.300 0.000 2.942 890 T HA -0.114 4.224 4.350 -0.021 0.000 0.265 890 T C 1.922 176.473 174.700 -0.248 0.000 1.062 890 T CA 0.532 62.408 62.100 -0.372 0.000 1.139 890 T CB -0.079 68.368 68.868 -0.703 0.000 0.883 890 T HN -0.020 nan 8.240 nan 0.000 0.468 891 M N 0.558 120.032 119.600 -0.210 0.000 2.067 891 M HA 0.136 4.603 4.480 -0.021 0.000 0.260 891 M C 0.776 177.007 176.300 -0.115 0.000 1.069 891 M CA 0.934 56.158 55.300 -0.127 0.000 1.117 891 M CB -1.150 31.388 32.600 -0.103 0.000 1.334 891 M HN 0.321 nan 8.290 nan 0.000 0.407 892 Y N 2.529 122.705 120.300 -0.208 0.000 2.556 892 Y HA 0.364 4.901 4.550 -0.022 0.000 0.352 892 Y C 0.085 175.879 175.900 -0.176 0.000 1.006 892 Y CA -0.663 57.311 58.100 -0.210 0.000 1.277 892 Y CB -0.152 38.216 38.460 -0.154 0.000 1.136 892 Y HN 0.382 nan 8.280 nan 0.000 0.523 893 S N 0.000 115.365 115.700 -0.559 0.000 2.498 893 S HA 0.000 4.457 4.470 -0.021 0.000 0.327 893 S CA 0.000 57.959 58.200 -0.402 0.000 1.107 893 S CB 0.000 63.056 63.200 -0.241 0.000 0.593 893 S HN 0.000 nan 8.310 nan 0.000 0.517